1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7060 .7061 .7061 .7335 2 HIS 2 -1.6168 -2.4183 999.9900 999.9900 .6686 -1.1222 .7057 .7033 .7043 -.3915 3 HIS 3 -.1922 -.4127 999.9900 999.9900 .6686 .0212 .7062 .7033 .7045 .2947 4 HIS 4 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7063 .7032 .7045 -.8237 5 HIS 5 -.1922 -1.0384 999.9900 999.9900 .6686 -.1873 .7065 .7032 .7046 .1695 6 HIS 6 -.1922 -.9211 999.9900 999.9900 .6686 -.1482 .7062 .7040 .7049 .1931 7 HIS 7 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7041 .7040 .7041 -.8240 8 LEU 8 -1.0000 -2.4128 999.9900 999.9900 .8331 -.8599 .7056 .7024 .7037 -.2343 9 GLU 9 -2.8104 -1.1891 999.9900 1.1588 .3568 -.6210 .7064 .7028 .7043 -.1791 10 CYS 10 -.7506 999.9900 .1296 999.9900 .4013 -.0732 .7063 .7036 .7047 .2381 11 SER 11 -1.7828 999.9900 1.3441 999.9900 .8922 .1512 .7067 .7033 .7047 .3727 12 SER 12 .9076 999.9900 -.7153 999.9900 .6705 .2876 .7066 .7029 .7045 .4545 13 ASP 13 -2.5838 -1.6521 999.9900 999.9900 .7118 -1.1747 .7062 .7040 .7050 -.4228 14 SER 14 -1.6374 999.9900 -.7153 999.9900 .6705 -.5607 .7054 .7033 .7042 -.0547 15 LEU 15 -1.1779 -2.4128 999.9900 999.9900 .8331 -.9192 .7054 .7019 .7034 -.2701 16 GLN 16 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7065 .7033 .7046 -.4325 17 LEU 17 -.4738 .2036 999.9900 999.9900 .8331 .1876 .7063 .7033 .7045 .3945 18 HIS 18 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .7053 .7033 .7041 .0165 19 ASN 19 -.2649 -2.7010 999.9900 999.9900 .7518 -.7380 .7070 .7025 .7043 -.1609 20 VAL 20 .0429 999.9900 -.2457 999.9900 .7810 .1928 .7062 .7061 .7061 .3981 21 PHE 21 -.2560 .6387 999.9900 999.9900 .7573 .3800 .7062 .7021 .7038 .5097 22 VAL 22 -2.6451 999.9900 .1416 999.9900 .7810 -.5742 .7063 .7067 .7065 -.0619 23 TYR 23 -3.6999 -2.0063 999.9900 999.9900 .5630 -1.7144 .7057 .7031 .7042 -.7469 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7060 .7057 .7058 -.2962 25 SER 25 .8349 999.9900 .8786 999.9900 .6705 .7947 .7065 .7023 .7041 .7586 26 PHE 26 -2.3628 .5589 999.9900 999.9900 .7573 -.3488 .7065 .7038 .7049 .0728 27 GLN 27 -.5451 -2.6982 999.9900 1.3059 .5113 -.3565 .7070 .7035 .7049 -.0026 28 ASP 28 -.6293 -1.5978 999.9900 999.9900 .8104 -.4722 .7067 .6553 .6767 -.0110 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7064 .6134 .6521 .5296 30 ASP 30 1.0149 -2.8653 999.9900 999.9900 .8104 -.3467 .7063 .7040 .7050 .0741 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .8960 .0626 .7066 .7059 .7062 .3201 32 ILE 32 .6852 -1.0628 999.9900 999.9900 1.0081 .2102 .7055 .7062 .7059 .4085 33 ASN 33 1.1117 -.9481 999.9900 999.9900 .8079 .3238 .7067 .7034 .7048 .4763 34 VAL 34 -.2954 999.9900 .4980 999.9900 .8960 .3662 .7068 .7056 .7061 .5022 35 MET 35 .5476 -2.5481 999.9900 1.7963 .5203 .0790 .7064 .7034 .7046 .2876 36 LEU 36 -3.7702 -2.5464 999.9900 999.9900 .8331 -1.8278 .7061 .7028 .7042 -.8149 37 ASP 37 -3.3417 -2.6388 999.9900 999.9900 .7118 -1.7562 .7065 .7034 .7047 -.7718 38 ARG 38 -1.6049 -.9348 999.9900 .6901 .6728 -.0974 .7068 .7012 .7035 .1316 39 THR 39 .0102 999.9900 .2916 999.9900 .4476 .2498 .7068 .6604 .6797 .4233 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7059 .6093 .6495 .5461 41 GLU 41 -.7635 -1.9198 999.9900 -1.0323 .6899 -.7564 .7063 .7032 .7045 -.2694 42 ILE 42 -.1408 -2.2551 999.9900 999.9900 1.0081 -.4626 .7063 .7064 .7063 .0050 43 VAL 43 .0764 999.9900 -.5532 999.9900 .8778 .1337 .7065 .7061 .7063 .3627 44 SER 44 -.7578 999.9900 .3727 999.9900 .6705 .0951 .7068 .7023 .7042 .3389 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7069 .7061 .7064 .4259 46 THR 46 .5084 999.9900 .2916 999.9900 .4476 .4159 .7066 .7062 .7064 .5321 47 LEU 47 -2.0123 -.7461 999.9900 999.9900 .8331 -.6418 .7062 .6584 .6783 -.1121 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7066 .6173 .6545 .5483 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7069 .7047 .7057 .8177 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7068 .7032 .7047 .3864 51 GLN 51 -.3431 .1368 999.9900 1.3059 .5113 .4027 .7069 .7032 .7048 .5035 52 ARG 52 -.4155 .7078 999.9900 .1593 .8581 .2938 .7063 .7024 .7040 .4111 53 PHE 53 -1.0508 -1.5726 999.9900 999.9900 .8629 -.5868 .7065 .7029 .7044 -.0702 54 ARG 54 -.5052 -1.6149 999.9900 1.2208 .8581 .2359 .7053 .7035 .7043 .3698 55 LEU 55 -3.7702 -2.3037 999.9900 999.9900 .8331 -1.7469 .7067 .7016 .7037 -.7665 56 LYS 56 -3.5196 -.7357 999.9900 .9398 .7460 -.3259 .7055 .7028 .7039 -.0316 57 GLY 57 -2.4582 999.9900 999.9900 999.9900 .8277 -.8153 .7068 .7052 .7059 -.0546 58 ARG 58 -2.5097 -2.0954 999.9900 .6901 .8581 -.4734 .7063 .7021 .7039 -.1369 59 LEU 59 -.9033 -.0082 999.9900 999.9900 .9565 .0150 .7054 .7032 .7042 .2907 60 TYR 60 -.3370 -.7306 999.9900 999.9900 .5630 -.1682 .7068 .6479 .6724 .1700 61 PRO 61 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7054 .6113 .6505 -.1925 62 CYS 62 -2.4999 999.9900 .1296 999.9900 .9108 -.4865 .7061 .7030 .7043 -.0101 63 ILE 63 .0187 -.2165 999.9900 999.9900 1.0081 .2701 .7070 .7062 .7065 .4447 64 VAL 64 -.0145 999.9900 .1416 999.9900 .7810 .3027 .7069 .6615 .6804 .4553 65 PRO 65 .3744 999.9900 999.9900 999.9900 .6931 .5337 .7065 .6148 .6530 .5972 66 SER 66 .0184 999.9900 .3727 999.9900 .6705 .3539 .7066 .7034 .7047 .4943 67 GLU 67 .8604 -1.2470 999.9900 1.1588 .6899 .3655 .7068 .7035 .7048 .4787 68 LYS 68 -3.5196 .4325 999.9900 .3240 .7460 -.3386 .7053 .7026 .7037 -.0407 69 GLY 69 -1.0150 999.9900 999.9900 999.9900 .8277 -.0936 .7070 .7040 .7053 .3059 70 GLU 70 -.4269 -.8834 999.9900 -1.0323 .6899 -.4132 .7064 .7027 .7042 -.0406 71 VAL 71 .4077 999.9900 -.2457 999.9900 .7810 .3143 .7066 .7062 .7064 .4712 72 HIS 72 -.7615 .2086 999.9900 999.9900 .6686 .0386 .7057 .7025 .7038 .3048 73 GLY 73 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .7068 .7057 .7062 -.1177 74 LYS 74 -.3223 -2.1617 999.9900 -.0397 .8827 -.3362 .7065 .7016 .7036 -.0390 75 VAL 75 .5332 999.9900 -1.0788 999.9900 .7810 .0785 .7054 .7061 .7058 .3294 76 LEU 76 -.7094 -1.3209 999.9900 999.9900 .8331 -.3991 .7064 .7028 .7043 .0424 77 MET 77 -.2651 -.2892 999.9900 .9587 .5203 .2312 .7062 .7036 .7047 .3891 78 GLY 78 -.5009 999.9900 999.9900 999.9900 .7883 .1437 .7068 .7061 .7064 .4251 79 VAL 79 -.6396 999.9900 -1.0788 999.9900 .7810 -.3124 .7061 .7056 .7058 .0949 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7064 .7060 .7062 .2160 81 SER 81 .8349 999.9900 -.7153 999.9900 .6705 .2633 .7062 .7032 .7044 .4399 82 ASP 82 1.0815 1.1826 999.9900 999.9900 .7118 .9920 .7067 .7045 .7054 .8774 83 GLU 83 .6833 -2.3808 999.9900 -1.0323 .6899 -.5100 .7059 .7033 .7044 -.1051 84 LEU 84 .8182 -2.9612 999.9900 999.9900 .9565 -.3955 .7068 .7023 .7041 .0445 85 GLU 85 .6833 -2.8418 999.9900 1.1588 .6899 -.0775 .7060 .7030 .7042 .1832 86 ASN 86 1.3908 -3.3254 999.9900 999.9900 .7518 -.3942 .7057 .7032 .7043 .0452 87 LEU 87 .8182 -.0234 999.9900 999.9900 .8331 .5426 .7067 .7027 .7044 .6075 88 ASP 88 1.1285 -.1523 999.9900 999.9900 .8104 .5955 .7065 .7039 .7050 .6394 89 ALA 89 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .7069 .7054 .7060 .4999 90 VAL 90 -.1888 999.9900 1.0696 999.9900 .7810 .5539 .7069 .7062 .7065 .6150 91 GLU 91 -.1289 -2.3808 999.9900 -1.0323 .6899 -.7130 .7057 .7032 .7042 -.2405 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .7064 .7053 .7058 .4635 93 ASN 93 .1528 .5395 999.9900 999.9900 .7518 .4814 .7063 .7026 .7041 .5706 94 GLU 94 -2.8104 -2.8418 999.9900 -1.0323 .3568 -1.5820 .7068 .7038 .7050 -.8195 95 TYR 95 -.0390 .5297 999.9900 999.9900 .5630 .3512 .7060 .7034 .7045 .4926 96 GLU 96 -.5863 -.3249 999.9900 -1.0323 .3568 -.3967 .7068 .7033 .7048 -.0294 97 ARG 97 -.8053 .1080 999.9900 .1593 .8581 .0959 .7065 .7029 .7044 .2698 98 VAL 98 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .7057 .7053 .7055 .1499 99 THR 99 .2423 999.9900 -.8810 999.9900 .4476 -.0637 .7066 .7064 .7065 .2444 100 VAL 100 -.3548 999.9900 .1416 999.9900 .7810 .1893 .7060 .7060 .7060 .3960 101 GLY 101 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .7056 .7051 .7053 .2336 102 ILE 102 -1.1241 -2.4201 999.9900 999.9900 1.0081 -.8453 .7069 .7055 .7061 -.2247 103 VAL 103 .3758 999.9900 -.2457 999.9900 .7810 .3037 .7069 .7061 .7064 .4648 104 ARG 104 -1.0952 -2.8571 999.9900 .1593 .6728 -.5922 .7065 .7025 .7042 -.2217 105 GLU 105 -.4919 1.0212 999.9900 -1.0323 .6899 .0467 .7067 .7031 .7046 .2661 106 ASP 106 .3270 -2.4630 999.9900 999.9900 .7118 -.4747 .7070 .7041 .7053 -.0026 107 ASN 107 -3.4329 -3.3254 999.9900 999.9900 .6279 -2.0435 .7064 .7028 .7043 -.9442 108 SER 108 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .7069 .7030 .7046 -.4789 109 GLU 109 -.3633 -1.3104 999.9900 -1.0323 .6899 -.5040 .7065 .7035 .7047 -.1010 110 LYS 110 -.3350 -2.9005 999.9900 -.0770 .8827 -.5014 .7064 .7024 .7041 -.1568 111 MET 111 -.5247 -2.5481 999.9900 .9587 .5203 -.3985 .7063 .7025 .7041 -.0308 112 ALA 112 -.9131 999.9900 999.9900 999.9900 .7458 -.0837 .7063 .7051 .7056 .3110 113 VAL 113 -.7132 999.9900 -.5532 999.9900 .8960 -.1234 .7066 .7060 .7063 .2085 114 LYS 114 -.3038 -1.5918 999.9900 -.0770 .7460 -.2607 .7066 .7026 .7043 .0151 115 THR 115 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .7068 .7064 .7066 .1824 116 TYR 116 .0686 .4149 999.9900 999.9900 .5630 .3488 .7067 .7025 .7043 .4911 117 MET 117 -.1902 .2906 999.9900 .9587 .5203 .3949 .7067 .7028 .7044 .4982 118 TRP 118 -.1712 -1.9067 999.9900 999.9900 .9378 -.3800 .7059 .7040 .7048 .0540 119 ILE 119 .6852 -1.7901 999.9900 999.9900 .6034 -.1672 .7062 .7062 .7062 .1822 120 ASN 120 -1.1452 -.2034 999.9900 999.9900 .8079 -.1802 .7067 .7028 .7044 .1738 121 LYS 121 -2.2985 -1.9682 999.9900 -.0397 .8827 -.6927 .7060 .7029 .7042 -.2935 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7069 .7057 .7062 -.3266 123 ASP 123 -1.0941 -3.7306 999.9900 999.9900 .8104 -1.3381 .7057 .6521 .6744 -.5313 124 PRO 124 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7065 .6168 .6542 .4058 125 ASP 125 -2.2314 -.0074 999.9900 999.9900 .8104 -.4761 .7062 .7038 .7048 -.0037 126 MET 126 -.4490 -2.0676 999.9900 .9587 .5203 -.2594 .7065 .7034 .7047 .0621 127 PHE 127 -3.6149 -1.3145 999.9900 999.9900 .7573 -1.3907 .7059 .7025 .7039 -.5527 128 GLY 128 -.3679 999.9900 999.9900 999.9900 .8277 .2299 .7053 .7049 .7051 .4675 129 GLU 129 -.4615 -1.6501 999.9900 -1.0323 .6899 -.6135 .7061 .7023 .7039 -.1743 130 TRP 130 -.4195 -3.3859 999.9900 999.9900 .9378 -.9559 .7064 .7035 .7047 -.2915 131 ASN 131 .6639 -.8278 999.9900 999.9900 .7518 .1960 .7067 .7033 .7048 .3996 132 PHE 132 1.2168 -2.6964 999.9900 999.9900 .7573 -.2408 .7067 .7037 .7049 .1376 133 GLU 133 .6116 .8693 999.9900 -1.0323 .3568 .2013 .7054 .7033 .7042 .3690 134 GLU 134 .0765 -2.3808 999.9900 -1.0323 .6899 -.6617 .7060 .7025 .7039 -.2064 135 TRP 135 1.0343 -1.6686 999.9900 999.9900 .8342 .0666 .7061 .7025 .7040 .3217 136 LYS 136 1.0429 -.3404 999.9900 .4778 .7460 .4808 .7068 .7036 .7049 .5449 137 ARG 137 1.0056 -.3171 999.9900 1.2208 .8581 .7977 .7067 .7024 .7042 .7710 138 LEU 138 -.2213 -1.6805 999.9900 999.9900 .8331 -.3562 .7062 .7030 .7043 .0681 139 HIS 139 .4898 -.8163 999.9900 999.9900 .6686 .1140 .7047 .7041 .7043 .3502 140 LYS 140 .7090 -.1697 999.9900 -.4035 .8827 .1230 .7066 .7023 .7041 .2891 141 LYS 141 -.1232 -1.9682 999.9900 .3240 .8827 -.1121 .7069 .7029 .7046 .1213 142 LYS 142 .9451 -.2432 999.9900 -.4035 .7460 .1282 .7069 .7032 .7047 .2930 143 PHE 143 .0766 -.5590 999.9900 999.9900 .7573 .0916 .7067 .7035 .7048 .3370 144 ILE 144 .4667 -.0177 999.9900 999.9900 .6034 .3508 .7070 .7061 .7065 .4931 145 GLU 145 .0908 -1.2470 999.9900 -1.0323 .6899 -.3746 .7058 .7012 .7031 -.0153 146 THR 146 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7062 .7056 .7059 .2050 147 PHE 147 .7405 -2.8600 999.9900 999.9900 .7573 -.4540 .7067 .7027 .7044 .0095 148 LYS 148 1.0429 -1.0793 999.9900 -.4035 .8827 .0079 .7066 .7026 .7043 .2069 149 LYS 149 .6780 -1.5918 999.9900 -.4035 .8827 -.1676 .7069 .7030 .7046 .0817 150 ILE 150 .2963 .8778 999.9900 999.9900 1.0081 .7274 .7064 .7061 .7062 .7190 151 MET 151 -.1671 -2.5481 999.9900 .9587 .5203 -.3091 .7062 .7026 .7041 .0288 152 GLU 152 .6116 -.9977 999.9900 -1.0323 .3568 -.2654 .7062 .7029 .7043 .0579 153 CYS 153 .8160 999.9900 .1296 999.9900 .9108 .6188 .7068 .7034 .7048 .6533 154 LYS 154 -.2512 .1621 999.9900 -.4035 .8827 -.0027 .7067 .7028 .7044 .1995 155 LYS 155 -3.5196 -2.1617 999.9900 -.4035 .8827 -1.1211 .7066 .7024 .7041 -.5995 156 LYS 156 -2.7709 -.9951 999.9900 .6133 .8827 -.3313 .7068 .6540 .6760 -.0423 157 PRO 157 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7064 .6066 .6482 -.1384 158 GLN 158 -3.1236 -1.7668 999.9900 1.3059 .5113 -.7683 .7050 .7034 .7041 -.2775 159 GLY 159 -.3249 999.9900 999.9900 999.9900 .8277 .2514 .7065 .7038 .7050 .4783 160 GLN 160 -1.3658 -2.6982 999.9900 1.3059 .5113 -.5617 .7061 .7028 .7042 -.1397 161 GLY 161 -2.6716 999.9900 999.9900 999.9900 .8277 -.9219 .7060 .7061 .7060 -.1080 162 ASN 162 -.5106 -2.0766 999.9900 999.9900 .7518 -.6118 .7058 .7031 .7042 -.0853 163 ASP 163 -.3726 -1.2611 999.9900 999.9900 .8104 -.2744 .7067 .7038 .7050 .1174 164 ASP 164 -2.5838 -.2316 999.9900 999.9900 .8104 -.6683 .7068 .7044 .7054 -.1188 165 ILE 165 -4.2337 -1.7901 999.9900 999.9900 .4912 -1.8442 .7069 .7061 .7064 -.8239 166 SER 166 .2494 999.9900 -.7153 999.9900 .6705 .0682 .7065 .7020 .7039 .3226 167 HIS 167 -1.1190 -3.1083 999.9900 999.9900 .6686 -1.1862 .7059 .7033 .7044 -.4299 168 VAL 168 -2.3041 999.9900 -1.0788 999.9900 .7810 -.8673 .7061 .7062 .7061 -.2379 169 LEU 169 -.7369 -3.3760 999.9900 999.9900 .9565 -1.0521 .7064 .7027 .7043 -.3494 170 ARG 170 -2.5097 -2.8571 999.9900 .1593 .8581 -.8380 .7061 .7017 .7035 -.3975 171 GLU 171 -.4497 -1.0407 999.9900 1.1588 .6899 .0896 .7055 .7027 .7039 .2944 172 ASP 172 -.5288 -1.2276 999.9900 999.9900 .8104 -.3153 .7063 .7043 .7051 .0929 173 GLN 173 999.9900 -1.7668 999.9900 1.3059 999.9900 -.2305 .7066 .7007 .7032 .2366 Means: -.6995 -1.3817 -.2547 .1948 .7289 -.2635 .7063 .6980 .7015 .1021 2.00 analyzed_1