157 58.373 0.400 CA 11 158 4.359 0.020 HA 11 159 63.267 0.400 CB 11 160 3.845 0.020 HB2 11 161 3.788 0.020 HB3 11 164 173.819 0.400 C 11 165 121.370 0.400 N 12 166 8.228 0.020 H 12 167 53.736 0.400 CA 12 168 4.603 0.020 HA 12 169 41.011 0.400 CB 12 170 2.665 0.020 HB2 12 171 2.624 0.020 HB3 12 175 175.254 0.400 C 12 176 119.082 0.400 N 13 177 8.092 0.020 H 13 178 53.237 0.400 CA 13 179 4.617 0.020 HA 13 180 38.302 0.400 CB 13 181 2.526 0.020 HB2 13 182 2.714 0.020 HB3 13 185 110.912 0.400 ND2 13 186 7.019 0.020 HD21 13 187 7.268 0.020 HD22 13 189 174.172 0.400 C 13 190 118.497 0.400 N 14 191 8.390 0.020 H 14 192 52.973 0.400 CA 14 193 4.898 0.020 HA 14 194 38.338 0.400 CB 14 195 3.491 0.020 HB2 14 196 2.519 0.020 HB3 14 199 112.953 0.400 ND2 14 200 7.928 0.020 HD21 14 201 7.208 0.020 HD22 14 203 174.942 0.400 C 14 204 118.651 0.400 N 15 205 8.455 0.020 H 15 206 61.970 0.400 CA 15 207 5.536 0.020 HA 15 208 70.917 0.400 CB 15 209 4.129 0.020 HB 15 210 1.156 0.020 QG2 15 212 20.929 0.400 CG2 15 216 173.486 0.400 C 15 217 118.715 0.400 N 16 218 8.813 0.020 H 16 219 59.047 0.400 CA 16 220 5.183 0.020 HA 16 221 39.621 0.400 CB 16 222 1.858 0.020 HB 16 223 0.830 0.020 QG2 16 224 18.727 0.400 CG2 16 228 26.039 0.400 CG1 16 229 1.289 0.020 HG12 16 230 1.218 0.020 HG13 16 232 0.256 0.020 QD1 16 233 13.477 0.400 CD1 16 237 173.444 0.400 C 16 238 123.742 0.400 N 17 239 9.540 0.020 H 17 240 55.055 0.400 CA 17 241 5.406 0.020 HA 17 242 41.617 0.400 CB 17 243 2.820 0.020 HB2 17 244 2.709 0.020 HB3 17 246 7.109 0.020 QD 17 247 7.014 0.020 QE 17 250 131.484 0.400 CD1 17 252 131.287 0.400 CE1 17 254 129.398 0.400 CZ 17 255 7.034 0.020 HZ 17 256 131.058 0.400 CE2 17 258 131.378 0.400 CD2 17 260 173.340 0.400 C 17 261 127.849 0.400 N 18 262 8.936 0.020 H 18 263 59.546 0.400 CA 18 264 4.958 0.020 HA 18 265 34.488 0.400 CB 18 266 1.637 0.020 HB 18 267 0.870 0.020 QG1 18 268 0.672 0.020 QG2 18 269 22.072 0.400 CG1 18 273 21.302 0.400 CG2 18 278 173.382 0.400 C 18 279 122.180 0.400 N 19 280 8.724 0.020 H 19 281 53.701 0.400 CA 19 282 4.758 0.020 HA 19 283 33.989 0.400 CB 19 284 2.112 0.020 HB2 19 285 1.759 0.020 HB3 19 287 35.048 0.400 CG 19 288 1.974 0.020 HG2 19 289 1.647 0.020 HG3 19 292 113.516 0.400 NE2 19 293 7.948 0.020 HE21 19 294 7.009 0.020 HE22 19 296 174.713 0.400 C 19 297 109.032 0.400 N 20 298 8.213 0.020 H 20 299 45.075 0.400 CA 20 300 3.736 0.020 HA2 20 301 4.531 0.020 HA3 20 303 174.921 0.400 C 20 304 117.629 0.400 N 21 305 8.468 0.020 H 21 306 55.376 0.400 CA 21 307 3.690 0.020 HA 21 308 42.222 0.400 CB 21 309 1.156 0.020 HB2 21 310 1.154 0.020 HB3 21 312 26.054 0.400 CG 21 313 1.101 0.020 HG 21 315 0.281 0.020 QD1 21 314 -0.186 0.020 QD2 21 320 26.054 0.400 CD1 21 316 21.306 0.400 CD2 21 325 176.190 0.400 C 21 326 104.722 0.400 N 22 327 7.995 0.020 H 22 328 43.684 0.400 CA 22 329 3.775 0.020 HA2 22 330 4.107 0.020 HA3 22 332 172.550 0.400 C 22 333 113.440 0.400 N 23 334 8.114 0.020 H 23 335 56.909 0.400 CA 23 336 4.113 0.020 HA 23 337 30.218 0.400 CB 23 338 2.004 0.020 HB2 23 339 2.059 0.020 HB3 23 341 35.845 0.400 CG 23 342 2.336 0.020 HG2 23 343 2.252 0.020 HG3 23 347 176.398 0.400 C 23 348 116.515 0.400 N 24 349 8.390 0.020 H 24 350 52.061 0.400 CA 24 351 4.946 0.020 HA 24 352 38.338 0.400 CB 24 353 2.910 0.020 HB2 24 354 2.721 0.020 HB3 24 357 113.382 0.400 ND2 24 358 6.995 0.020 HD21 24 359 7.630 0.020 HD22 24 361 174.443 0.400 C 24 362 118.188 0.400 N 25 363 6.842 0.020 H 25 364 61.578 0.400 CA 25 365 4.148 0.020 HA 25 366 32.180 0.400 CB 25 367 1.992 0.020 HB 25 368 0.792 0.020 QG1 25 369 0.818 0.020 QG2 25 370 21.068 0.400 CG1 25 374 22.472 0.400 CG2 25 379 172.633 0.400 C 25 380 111.477 0.400 N 26 381 7.302 0.020 H 26 382 58.370 0.400 CA 26 383 4.717 0.020 HA 26 384 72.735 0.400 CB 26 385 4.683 0.020 HB 26 386 1.265 0.020 QG2 26 388 21.582 0.400 CG2 26 392 174.983 0.400 C 26 393 122.122 0.400 N 27 394 9.071 0.020 H 27 395 65.320 0.400 CA 27 396 3.513 0.020 HA 27 397 37.410 0.400 CB 27 398 1.866 0.020 HB 27 399 0.928 0.020 QG2 27 400 16.986 0.400 CG2 27 404 28.794 0.400 CG1 27 405 1.658 0.020 HG12 27 406 1.160 0.020 HG13 27 408 0.948 0.020 QD1 27 409 12.611 0.400 CD1 27 413 177.125 0.400 C 27 414 118.072 0.400 N 28 415 8.800 0.020 H 28 416 60.183 0.400 CA 28 417 3.981 0.020 HA 28 418 28.535 0.400 CB 28 419 2.076 0.020 HB2 28 420 1.977 0.020 HB3 28 422 36.840 0.400 CG 28 423 2.263 0.020 HG2 28 424 2.466 0.020 HG3 28 428 178.498 0.400 C 28 429 115.789 0.400 N 29 430 8.229 0.020 H 29 431 61.007 0.400 CA 29 432 4.385 0.020 HA 29 433 62.576 0.400 CB 29 434 4.007 0.020 HB2 29 435 4.077 0.020 HB3 29 438 177.853 0.400 C 29 439 124.773 0.400 N 30 440 7.970 0.020 H 30 441 66.889 0.400 CA 30 442 3.746 0.020 HA 30 443 31.351 0.400 CB 30 444 2.192 0.020 HB 30 446 0.841 0.020 QG1 30 445 0.847 0.020 QG2 30 451 22.509 0.400 CG1 30 447 24.204 0.400 CG2 30 456 177.271 0.400 C 30 457 123.105 0.400 N 31 458 8.704 0.020 H 31 459 55.517 0.400 CA 31 460 3.891 0.020 HA 31 461 1.463 0.020 QB 31 462 17.520 0.400 CB 31 466 179.288 0.400 C 31 467 115.329 0.400 N 32 468 8.312 0.020 H 32 469 56.979 0.400 CA 32 470 4.303 0.020 HA 32 471 40.868 0.400 CB 32 472 2.755 0.020 HB2 32 473 2.622 0.020 HB3 32 477 177.209 0.400 C 32 478 119.113 0.400 N 33 479 7.529 0.020 H 33 480 60.734 0.400 CA 33 481 4.201 0.020 HA 33 482 39.799 0.400 CB 33 483 3.092 0.020 HB2 33 484 2.817 0.020 HB3 33 486 5.845 0.020 QD 33 487 6.220 0.020 QE 33 490 132.413 0.400 CD1 33 492 119.058 0.400 CE1 33 495 118.886 0.400 CE2 33 497 132.425 0.400 CD2 33 500 177.458 0.400 C 33 501 112.447 0.400 N 34 502 7.985 0.020 H 34 503 61.554 0.400 CA 34 504 4.333 0.020 HA 34 505 39.728 0.400 CB 34 506 3.414 0.020 HB2 34 507 2.771 0.020 HB3 34 509 7.428 0.020 QD 34 510 6.879 0.020 QE 34 513 131.908 0.400 CD1 34 515 130.249 0.400 CE1 34 517 129.160 0.400 CZ 34 518 6.890 0.020 HZ 34 519 130.237 0.400 CE2 34 521 131.991 0.400 CD2 34 523 177.250 0.400 C 34 524 118.816 0.400 N 35 525 8.345 0.020 H 35 526 57.978 0.400 CA 35 527 4.914 0.020 HA 35 528 31.030 0.400 CB 35 529 2.049 0.020 HB2 35 530 2.160 0.020 HB3 35 532 23.829 0.400 CG 35 533 1.762 0.020 HG2 35 534 1.266 0.020 HG3 35 536 29.742 0.400 CD 35 537 1.742 0.020 HD2 35 538 1.685 0.020 HD3 35 540 42.015 0.400 CE 35 541 3.018 0.020 HE2 35 542 3.018 0.020 HE3 35 548 176.689 0.400 C 35 549 116.163 0.400 N 36 550 7.505 0.020 H 36 551 57.336 0.400 CA 36 552 4.127 0.020 HA 36 553 29.640 0.400 CB 36 554 2.110 0.020 HB2 36 555 2.014 0.020 HB3 36 557 33.993 0.400 CG 36 558 2.421 0.020 HG2 36 559 2.304 0.020 HG3 36 562 111.842 0.400 NE2 36 563 6.783 0.020 HE21 36 564 7.629 0.020 HE22 36 566 176.502 0.400 C 36 567 116.336 0.400 N 37 568 7.814 0.020 H 37 569 58.084 0.400 CA 37 570 4.226 0.020 HA 37 571 40.084 0.400 CB 37 572 1.855 0.020 HB 37 573 0.849 0.020 QG2 37 574 19.062 0.400 CG2 37 578 29.440 0.400 CG1 37 579 1.360 0.020 HG12 37 580 1.178 0.020 HG13 37 582 0.348 0.020 QD1 37 583 11.682 0.400 CD1 37 587 174.838 0.400 C 37 588 107.243 0.400 N 38 589 7.337 0.020 H 38 590 44.575 0.400 CA 38 591 3.921 0.020 HA2 38 592 4.080 0.020 HA3 38 594 170.138 0.400 C 38 595 117.460 0.400 N 39 596 8.115 0.020 H 39 597 61.400 0.400 CA 39 598 4.087 0.020 HA 39 599 38.409 0.400 CB 39 600 1.822 0.020 HB 39 601 0.886 0.020 QG2 39 602 17.198 0.400 CG2 39 606 27.571 0.400 CG1 39 607 1.692 0.020 HG12 39 608 1.285 0.020 HG13 39 610 0.913 0.020 QD1 39 611 12.010 0.400 CD1 39 615 177.084 0.400 C 39 616 131.841 0.400 N 40 617 8.711 0.020 H 40 618 61.007 0.400 CA 40 619 3.791 0.020 HA 40 620 37.874 0.400 CB 40 621 1.682 0.020 HB 40 622 0.816 0.020 QG2 40 623 16.233 0.400 CG2 40 627 28.456 0.400 CG1 40 628 1.640 0.020 HG12 40 629 0.534 0.020 HG13 40 631 0.749 0.020 QD1 40 632 13.500 0.400 CD1 40 636 175.690 0.400 C 40 637 130.163 0.400 N 41 638 8.677 0.020 H 41 639 57.229 0.400 CA 41 640 4.058 0.020 HA 41 641 33.418 0.400 CB 41 642 1.469 0.020 HB2 41 643 1.195 0.020 HB3 41 645 24.753 0.400 CG 41 646 1.397 0.020 HG2 41 647 1.508 0.020 HG3 41 649 29.581 0.400 CD 41 650 1.626 0.020 HD2 41 651 1.626 0.020 HD3 41 653 41.561 0.400 CE 41 654 3.048 0.020 HE2 41 655 3.090 0.020 HE3 41 661 174.921 0.400 C 41 662 118.307 0.400 N 42 663 8.471 0.020 H 42 664 60.770 0.400 CA 42 665 4.381 0.020 HA 42 666 70.244 0.400 CB 42 667 3.731 0.020 HB 42 668 0.875 0.020 QG2 42 670 21.144 0.400 CG2 42 674 173.881 0.400 C 42 675 124.147 0.400 N 43 676 8.807 0.020 H 43 677 52.544 0.400 CA 43 678 4.534 0.020 HA 43 679 38.750 0.400 CB 43 680 3.270 0.020 HB2 43 681 2.549 0.020 HB3 43 684 113.879 0.400 ND2 43 685 7.650 0.020 HD21 43 686 7.199 0.020 HD22 43 691 57.957 0.400 CA 44 692 3.992 0.020 HA 44 693 32.009 0.400 CB 44 694 1.860 0.020 HB2 44 695 1.863 0.020 HB3 44 697 24.784 0.400 CG 44 698 1.472 0.020 HG2 44 699 1.554 0.020 HG3 44 701 28.456 0.400 CD 44 702 1.681 0.020 HD2 44 703 1.682 0.020 HD3 44 705 41.804 0.400 CE 44 706 3.015 0.020 HE2 44 707 3.016 0.020 HE3 44 713 177.604 0.400 C 44 714 117.320 0.400 N 45 715 8.312 0.020 H 45 716 57.979 0.400 CA 45 717 4.244 0.020 HA 45 718 32.570 0.400 CB 45 719 1.949 0.020 HB2 45 720 1.949 0.020 HB3 45 722 25.028 0.400 CG 45 723 1.515 0.020 HG2 45 724 1.402 0.020 HG3 45 726 28.536 0.400 CD 45 727 1.703 0.020 HD2 45 728 1.701 0.020 HD3 45 730 41.885 0.400 CE 45 731 2.992 0.020 HE2 45 732 2.992 0.020 HE3 45 738 178.041 0.400 C 45 739 105.379 0.400 N 46 740 7.422 0.020 H 46 741 60.672 0.400 CA 46 742 4.471 0.020 HA 46 743 70.739 0.400 CB 46 744 4.393 0.020 HB 46 745 1.128 0.020 QG2 46 747 20.929 0.400 CG2 46 751 176.314 0.400 C 46 752 111.478 0.400 N 47 753 8.639 0.020 H 47 754 45.624 0.400 CA 47 755 3.675 0.020 HA2 47 756 4.176 0.020 HA3 47 758 173.673 0.400 C 47 759 118.767 0.400 N 48 760 7.656 0.020 H 48 761 52.979 0.400 CA 48 762 4.668 0.020 HA 48 763 29.034 0.400 CB 48 764 1.806 0.020 HB2 48 765 2.195 0.020 HB3 48 767 33.120 0.400 CG 48 768 2.344 0.020 HG2 48 769 2.409 0.020 HG3 48 772 113.028 0.400 NE2 48 773 7.581 0.020 HE21 48 774 6.979 0.020 HE22 48 778 50.243 0.400 CD 49 779 62.398 0.400 CA 49 780 4.587 0.020 HA 49 781 32.313 0.400 CB 49 782 2.220 0.020 HB2 49 783 1.563 0.020 HB3 49 785 27.249 0.400 CG 49 786 2.002 0.020 HG2 49 787 1.939 0.020 HG3 49 789 3.840 0.020 HD2 49 790 3.669 0.020 HD3 49 792 177.687 0.400 C 49 793 124.204 0.400 N 50 794 8.876 0.020 H 50 795 55.090 0.400 CA 50 796 4.426 0.020 HA 50 797 30.353 0.400 CB 50 798 1.650 0.020 HB2 50 799 2.027 0.020 HB3 50 801 32.383 0.400 CG 50 802 2.274 0.020 HG2 50 803 2.379 0.020 HG3 50 805 2.031 0.020 QE 50 806 16.763 0.400 CE 50 810 173.798 0.400 C 50 811 126.171 0.400 N 51 812 7.715 0.020 H 51 813 58.941 0.400 CA 51 814 4.803 0.020 HA 51 815 42.116 0.400 CB 51 816 1.457 0.020 HB 51 817 0.718 0.020 QG2 51 818 16.243 0.400 CG2 51 822 27.651 0.400 CG1 51 823 1.017 0.020 HG12 51 824 1.433 0.020 HG13 51 826 0.872 0.020 QD1 51 827 14.064 0.400 CD1 51 831 173.985 0.400 C 51 832 124.783 0.400 N 52 833 8.365 0.020 H 52 834 51.206 0.400 CA 52 835 4.935 0.020 HA 52 836 40.226 0.400 CB 52 837 2.592 0.020 HB2 52 838 2.595 0.020 HB3 52 841 111.483 0.400 ND2 52 842 6.986 0.020 HD21 52 843 6.635 0.020 HD22 52 845 173.631 0.400 C 52 846 122.328 0.400 N 53 847 8.582 0.020 H 53 848 52.766 0.400 CA 53 849 4.700 0.020 HA 53 850 42.049 0.400 CB 53 851 1.720 0.020 HB2 53 852 1.388 0.020 HB3 53 854 26.427 0.400 CG 53 855 1.499 0.020 HG 53 857 0.769 0.020 QD1 53 856 0.608 0.020 QD2 53 862 25.497 0.400 CD1 53 858 23.439 0.400 CD2 53 867 176.169 0.400 C 53 868 121.867 0.400 N 54 869 7.642 0.020 H 54 870 57.195 0.400 CA 54 871 4.771 0.020 HA 54 872 38.976 0.400 CB 54 873 2.826 0.020 HB2 54 874 3.161 0.020 HB3 54 876 7.174 0.020 QD 54 877 6.848 0.020 QE 54 880 132.119 0.400 CD1 54 882 118.197 0.400 CE1 54 885 117.910 0.400 CE2 54 887 132.308 0.400 CD2 54 893 60.402 0.400 CA 55 894 4.798 0.020 HA 55 895 71.238 0.400 CB 55 896 3.829 0.020 HB 55 897 1.030 0.020 QG2 55 899 21.686 0.400 CG2 55 903 173.611 0.400 C 55 904 123.857 0.400 N 56 905 8.942 0.020 H 56 906 53.700 0.400 CA 56 907 4.621 0.020 HA 56 908 42.633 0.400 CB 56 909 3.068 0.020 HB2 56 910 2.443 0.020 HB3 56 917 58.192 0.400 CA 57 918 4.021 0.020 HA 57 919 29.894 0.400 CB 57 920 1.894 0.020 HB2 57 921 1.894 0.020 HB3 57 923 26.694 0.400 CG 57 924 1.682 0.020 HG2 57 925 1.680 0.020 HG3 57 927 43.008 0.400 CD 57 928 3.210 0.020 HD2 57 929 3.208 0.020 HD3 57 940 177.250 0.400 C 57 941 117.378 0.400 N 58 942 8.559 0.020 H 58 943 57.996 0.400 CA 58 944 4.265 0.020 HA 58 945 30.130 0.400 CB 58 946 2.131 0.020 HB2 58 947 2.156 0.020 HB3 58 949 36.210 0.400 CG 58 950 2.237 0.020 HG2 58 951 2.314 0.020 HG3 58 955 178.186 0.400 C 58 956 106.707 0.400 N 59 957 8.063 0.020 H 59 958 61.333 0.400 CA 59 959 4.432 0.020 HA 59 960 70.981 0.400 CB 59 961 4.324 0.020 HB 59 962 1.223 0.020 QG2 59 964 20.869 0.400 CG2 59 968 176.481 0.400 C 59 969 111.139 0.400 N 60 970 8.433 0.020 H 60 971 45.705 0.400 CA 60 972 3.766 0.020 HA2 60 973 4.176 0.020 HA3 60 975 173.631 0.400 C 60 976 119.542 0.400 N 61 977 7.757 0.020 H 61 978 55.602 0.400 CA 61 979 4.353 0.020 HA 61 980 33.460 0.400 CB 61 981 1.838 0.020 HB2 61 982 1.658 0.020 HB3 61 984 24.907 0.400 CG 61 985 1.420 0.020 HG2 61 986 1.421 0.020 HG3 61 988 28.768 0.400 CD 61 989 1.681 0.020 HD2 61 990 1.681 0.020 HD3 61 992 41.922 0.400 CE 61 993 3.030 0.020 HE2 61 994 3.001 0.020 HE3 61 1000 176.460 0.400 C 61 1001 122.411 0.400 N 62 1002 8.767 0.020 H 62 1003 56.008 0.400 CA 62 1004 4.364 0.020 HA 62 1005 41.383 0.400 CB 62 1006 1.892 0.020 HB2 62 1007 1.526 0.020 HB3 62 1009 27.330 0.400 CG 62 1010 1.811 0.020 HG 62 1012 0.999 0.020 QD1 62 1011 0.838 0.020 QD2 62 1017 26.118 0.400 CD1 62 1013 23.712 0.400 CD2 62 1022 177.833 0.400 C 62 1023 118.017 0.400 N 63 1024 7.995 0.020 H 63 1025 56.085 0.400 CA 63 1026 4.271 0.020 HA 63 1027 33.953 0.400 CB 63 1028 1.881 0.020 HB2 63 1029 1.529 0.020 HB3 63 1031 25.088 0.400 CG 63 1032 1.433 0.020 HG2 63 1033 1.433 0.020 HG3 63 1035 28.847 0.400 CD 63 1036 1.594 0.020 HD2 63 1037 1.681 0.020 HD3 63 1039 41.664 0.400 CE 63 1040 2.976 0.020 HE2 63 1041 2.977 0.020 HE3 63 1047 176.709 0.400 C 63 1048 108.295 0.400 N 64 1049 8.330 0.020 H 64 1050 46.078 0.400 CA 64 1051 3.744 0.020 HA2 64 1052 4.240 0.020 HA3 64 1054 172.404 0.400 C 64 1055 115.910 0.400 N 65 1056 7.146 0.020 H 65 1057 52.750 0.400 CA 65 1058 5.512 0.020 HA 65 1059 33.988 0.400 CB 65 1060 1.976 0.020 HB2 65 1061 1.824 0.020 HB3 65 1063 36.266 0.400 CG 65 1064 2.192 0.020 HG2 65 1065 2.136 0.020 HG3 65 1069 176.460 0.400 C 65 1070 123.684 0.400 N 66 1071 8.920 0.020 H 66 1072 50.671 0.400 CA 66 1073 5.586 0.020 HA 66 1074 0.960 0.020 QB 66 1075 23.795 0.400 CB 66 1079 176.314 0.400 C 66 1080 108.088 0.400 N 67 1081 8.427 0.020 H 67 1082 59.225 0.400 CA 67 1083 5.751 0.020 HA 67 1084 70.881 0.400 CB 67 1085 4.100 0.020 HB 67 1086 1.452 0.020 QG2 67 1088 22.145 0.400 CG2 67 1092 174.193 0.400 C 67 1093 119.930 0.400 N 68 1094 8.085 0.020 H 68 1095 61.007 0.400 CA 68 1096 4.246 0.020 HA 68 1097 34.595 0.400 CB 68 1098 1.353 0.020 HB 68 1100 0.007 0.020 QG1 68 1099 0.295 0.020 QG2 68 1105 20.646 0.400 CG1 68 1101 19.514 0.400 CG2 68 1110 174.339 0.400 C 68 1111 121.553 0.400 N 69 1112 7.678 0.020 H 69 1113 57.265 0.400 CA 69 1114 5.238 0.020 HA 69 1115 64.216 0.400 CB 69 1116 3.701 0.020 HB2 69 1117 3.630 0.020 HB3 69 1120 172.467 0.400 C 69 1121 122.570 0.400 N 70 1122 8.962 0.020 H 70 1123 58.050 0.400 CA 70 1124 4.818 0.020 HA 70 1125 41.652 0.400 CB 70 1126 3.435 0.020 HB2 70 1127 2.779 0.020 HB3 70 1129 7.051 0.020 QD 70 1130 6.968 0.020 QE 70 1133 131.419 0.400 CD1 70 1135 130.880 0.400 CE1 70 1137 128.204 0.400 CZ 70 1138 6.823 0.020 HZ 70 1139 130.948 0.400 CE2 70 1141 131.378 0.400 CD2 70 1143 175.628 0.400 C 70 1144 119.979 0.400 N 71 1145 8.450 0.020 H 71 1146 57.158 0.400 CA 71 1147 4.413 0.020 HA 71 1148 41.973 0.400 CB 71 1149 2.587 0.020 HB2 71 1150 2.377 0.020 HB3 71 1154 175.753 0.400 C 71 1155 116.741 0.400 N 72 1156 8.477 0.020 H 72 1157 50.278 0.400 CA 72 1158 5.386 0.020 HA 72 1159 42.633 0.400 CB 72 1160 2.820 0.020 HB2 72 1161 2.718 0.020 HB3 72 1167 50.800 0.400 CD 73 1168 66.799 0.400 CA 73 1169 4.397 0.020 HA 73 1170 29.263 0.400 CB 73 1171 2.163 0.020 HB2 73 1172 2.299 0.020 HB3 73 1174 28.038 0.400 CG 73 1175 2.357 0.020 HG2 73 1176 1.949 0.020 HG3 73 1178 4.275 0.020 HD2 73 1179 3.881 0.020 HD3 73 1183 50.289 0.400 CD 74 1184 65.891 0.400 CA 74 1185 4.404 0.020 HA 74 1186 30.959 0.400 CB 74 1187 1.837 0.020 HB2 74 1188 2.379 0.020 HB3 74 1190 28.209 0.400 CG 74 1191 2.105 0.020 HG2 74 1192 1.983 0.020 HG3 74 1194 3.690 0.020 HD2 74 1195 3.471 0.020 HD3 74 1197 178.852 0.400 C 74 1198 114.384 0.400 N 75 1199 8.059 0.020 H 75 1200 61.554 0.400 CA 75 1201 4.019 0.020 HA 75 1202 62.719 0.400 CB 75 1203 3.035 0.020 HB2 75 1204 3.885 0.020 HB3 75 1207 173.756 0.400 C 75 1208 122.424 0.400 N 76 1209 7.443 0.020 H 76 1210 54.828 0.400 CA 76 1211 3.599 0.020 HA 76 1212 1.600 0.020 QB 76 1213 17.699 0.400 CB 76 1217 177.708 0.400 C 76 1218 116.163 0.400 N 77 1219 7.199 0.020 H 77 1220 58.583 0.400 CA 77 1221 3.791 0.020 HA 77 1222 32.145 0.400 CB 77 1223 1.977 0.020 HB2 77 1224 2.106 0.020 HB3 77 1226 24.861 0.400 CG 77 1227 1.568 0.020 HG2 77 1228 1.569 0.020 HG3 77 1230 28.524 0.400 CD 77 1231 1.702 0.020 HD2 77 1232 1.867 0.020 HD3 77 1234 42.083 0.400 CE 77 1235 3.070 0.020 HE2 77 1236 3.089 0.020 HE3 77 1242 177.916 0.400 C 77 1243 119.688 0.400 N 78 1244 7.872 0.020 H 78 1245 54.449 0.400 CA 78 1246 4.155 0.020 HA 78 1247 1.398 0.020 QB 78 1248 17.556 0.400 CB 78 1252 179.684 0.400 C 78 1253 120.328 0.400 N 79 1254 8.120 0.020 H 79 1255 55.090 0.400 CA 79 1256 4.268 0.020 HA 79 1257 1.668 0.020 QB 79 1258 18.804 0.400 CB 79 1262 179.309 0.400 C 79 1263 119.634 0.400 N 80 1264 7.571 0.020 H 80 1265 65.570 0.400 CA 80 1266 3.415 0.020 HA 80 1267 38.409 0.400 CB 80 1268 1.720 0.020 HB 80 1269 0.844 0.020 QG2 80 1270 16.658 0.400 CG2 80 1274 29.071 0.400 CG1 80 1275 1.452 0.020 HG12 80 1276 0.364 0.020 HG13 80 1278 -0.178 0.020 QD1 80 1279 12.892 0.400 CD1 80 1283 177.895 0.400 C 80 1284 117.783 0.400 N 81 1285 7.955 0.020 H 81 1286 56.837 0.400 CA 81 1287 4.314 0.020 HA 81 1288 40.298 0.400 CB 81 1289 2.717 0.020 HB2 81 1290 2.631 0.020 HB3 81 1294 178.290 0.400 C 81 1295 117.218 0.400 N 82 1296 8.493 0.020 H 82 1297 59.118 0.400 CA 82 1298 4.363 0.020 HA 82 1299 30.567 0.400 CB 82 1300 2.538 0.020 HB2 82 1301 3.093 0.020 HB3 82 1304 126.579 0.400 CD1 82 1306 120.507 0.400 CE3 82 1308 127.963 0.400 NE1 82 1309 5.259 0.020 HD1 82 1310 7.390 0.020 HE3 82 1311 121.570 0.400 CZ3 82 1312 114.077 0.400 CZ2 82 1313 9.781 0.020 HE1 82 1314 7.037 0.020 HZ3 82 1315 124.251 0.400 CH2 82 1316 7.339 0.020 HZ2 82 1317 7.136 0.020 HH2 82 1318 177.084 0.400 C 82 1319 111.914 0.400 N 83 1320 8.478 0.020 H 83 1321 59.511 0.400 CA 83 1322 4.659 0.020 HA 83 1323 40.440 0.400 CB 83 1324 3.428 0.020 HB2 83 1325 3.483 0.020 HB3 83 1327 7.557 0.020 QD 83 1328 6.984 0.020 QE 83 1331 131.982 0.400 CD1 83 1333 131.088 0.400 CE1 83 1335 129.710 0.400 CZ 83 1336 6.948 0.020 HZ 83 1337 131.106 0.400 CE2 83 1339 131.987 0.400 CD2 83 1341 176.522 0.400 C 83 1342 118.259 0.400 N 84 1343 7.950 0.020 H 84 1344 58.263 0.400 CA 84 1345 4.459 0.020 HA 84 1346 41.758 0.400 CB 84 1347 3.193 0.020 HB2 84 1348 2.776 0.020 HB3 84 1352 177.770 0.400 C 84 1353 115.401 0.400 N 85 1354 8.617 0.020 H 85 1355 45.914 0.400 CA 85 1356 3.882 0.020 HA2 85 1357 4.263 0.020 HA3 85 1359 174.651 0.400 C 85 1360 120.172 0.400 N 86 1361 8.009 0.020 H 86 1362 54.828 0.400 CA 86 1363 4.463 0.020 HA 86 1364 32.165 0.400 CB 86 1365 2.068 0.020 HB2 86 1366 2.283 0.020 HB3 86 1368 25.896 0.400 CG 86 1369 1.495 0.020 HG2 86 1370 1.249 0.020 HG3 86 1372 27.731 0.400 CD 86 1373 1.542 0.020 HD2 86 1374 1.421 0.020 HD3 86 1376 42.286 0.400 CE 86 1377 2.447 0.020 HE2 86 1378 2.665 0.020 HE3 86 1384 174.505 0.400 C 86 1385 115.595 0.400 N 87 1386 8.193 0.020 H 87 1387 55.309 0.400 CA 87 1388 4.700 0.020 HA 87 1389 31.709 0.400 CB 87 1390 1.884 0.020 HB2 87 1391 1.559 0.020 HB3 87 1393 36.113 0.400 CG 87 1394 1.800 0.020 HG2 87 1395 2.197 0.020 HG3 87 1399 177.063 0.400 C 87 1400 126.953 0.400 N 88 1401 9.161 0.020 H 88 1402 56.414 0.400 CA 88 1403 4.483 0.020 HA 88 1404 41.857 0.400 CB 88 1405 2.177 0.020 HB2 88 1406 2.871 0.020 HB3 88 1408 6.216 0.020 QD 88 1409 6.949 0.020 QE 88 1412 131.902 0.400 CD1 88 1414 130.769 0.400 CE1 88 1416 128.632 0.400 CZ 88 1417 6.980 0.020 HZ 88 1418 130.600 0.400 CE2 88 1420 132.047 0.400 CD2 88 1425 58.049 0.400 CA 89 1426 3.800 0.020 HA 89 1427 62.255 0.400 CB 89 1428 3.448 0.020 HB2 89 1429 3.997 0.020 HB3 89 1432 174.775 0.400 C 89 1433 103.317 0.400 N 90 1434 8.434 0.020 H 90 1435 44.753 0.400 CA 90 1436 3.603 0.020 HA2 90 1437 4.159 0.020 HA3 90 1439 173.112 0.400 C 90 1440 119.055 0.400 N 91 1441 7.764 0.020 H 91 1442 50.136 0.400 CA 91 1443 5.330 0.020 HA 91 1444 40.939 0.400 CB 91 1445 2.910 0.020 HB2 91 1446 2.911 0.020 HB3 91 1449 114.748 0.400 ND2 91 1450 7.359 0.020 HD21 91 1451 7.032 0.020 HD22 91 1455 50.500 0.400 CD 92 1456 62.398 0.400 CA 92 1457 4.655 0.020 HA 92 1458 31.458 0.400 CB 92 1459 1.867 0.020 HB2 92 1460 2.169 0.020 HB3 92 1462 27.571 0.400 CG 92 1463 2.025 0.020 HG2 92 1464 2.173 0.020 HG3 92 1466 3.793 0.020 HD2 92 1467 3.932 0.020 HD3 92 1469 176.834 0.400 C 92 1470 117.145 0.400 N 93 1471 8.456 0.020 H 93 1472 59.297 0.400 CA 93 1473 5.147 0.020 HA 93 1474 41.617 0.400 CB 93 1475 1.808 0.020 HB 93 1476 0.721 0.020 QG2 93 1477 18.304 0.400 CG2 93 1481 24.522 0.400 CG1 93 1482 1.358 0.020 HG12 93 1483 1.521 0.020 HG13 93 1485 0.788 0.020 QD1 93 1486 14.799 0.400 CD1 93 1490 175.794 0.400 C 93 1491 122.182 0.400 N 94 1492 8.354 0.020 H 94 1493 53.898 0.400 CA 94 1494 5.189 0.020 HA 94 1495 34.868 0.400 CB 94 1496 1.822 0.020 HB2 94 1497 1.537 0.020 HB3 94 1499 24.251 0.400 CG 94 1500 1.506 0.020 HG2 94 1501 1.441 0.020 HG3 94 1503 28.608 0.400 CD 94 1504 1.677 0.020 HD2 94 1505 1.677 0.020 HD3 94 1507 41.604 0.400 CE 94 1508 2.978 0.020 HE2 94 1509 2.974 0.020 HE3 94 1515 175.898 0.400 C 94 1516 125.379 0.400 N 95 1517 9.372 0.020 H 95 1518 60.901 0.400 CA 95 1519 4.961 0.020 HA 95 1520 34.666 0.400 CB 95 1521 1.945 0.020 HB 95 1523 0.980 0.020 QG1 95 1522 1.097 0.020 QG2 95 1528 24.040 0.400 CG1 95 1524 22.236 0.400 CG2 95 1533 173.216 0.400 C 95 1534 119.542 0.400 N 96 1535 8.928 0.020 H 96 1536 56.516 0.400 CA 96 1537 4.696 0.020 HA 96 1538 66.069 0.400 CB 96 1539 4.107 0.020 HB2 96 1540 3.966 0.020 HB3 96 1543 173.819 0.400 C 96 1544 119.906 0.400 N 97 1545 8.888 0.020 H 97 1546 60.473 0.400 CA 97 1547 4.767 0.020 HA 97 1548 39.407 0.400 CB 97 1549 3.195 0.020 HB2 97 1550 2.883 0.020 HB3 97 1552 7.333 0.020 QD 97 1553 7.167 0.020 QE 97 1556 131.480 0.400 CD1 97 1558 129.179 0.400 CE1 97 1560 129.480 0.400 CZ 97 1561 7.152 0.020 HZ 97 1562 129.362 0.400 CE2 97 1564 131.605 0.400 CD2 97 1566 176.626 0.400 C 97 1567 124.604 0.400 N 98 1568 8.474 0.020 H 98 1569 51.989 0.400 CA 98 1570 4.372 0.020 HA 98 1571 1.266 0.020 QB 98 1572 19.196 0.400 CB 98 1576 176.314 0.400 C 98 1577 119.692 0.400 N 99 1578 7.814 0.020 H 99 1579 62.483 0.400 CA 99 1580 4.137 0.020 HA 99 1581 70.667 0.400 CB 99 1582 4.203 0.020 HB 99 1583 1.079 0.020 QG2 99 1585 21.689 0.400 CG2 99