1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .7066 .7060 .7063 .7467 2 HIS 2 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7058 .7028 .7041 -.8239 3 HIS 3 -.8113 -2.4183 999.9900 999.9900 .6686 -.8537 .7063 .7040 .7049 -.2302 4 HIS 4 -.5132 -3.1083 999.9900 999.9900 .6686 -.9843 .7060 .7035 .7046 -.3087 5 HIS 5 -.5879 -3.1083 999.9900 999.9900 .6686 -1.0092 .7062 .7035 .7046 -.3236 6 HIS 6 -1.9498 .0958 999.9900 999.9900 .6686 -.3951 .7054 .7035 .7043 .0447 7 HIS 7 -.5497 -1.7284 999.9900 999.9900 .6686 -.5365 .7059 .7034 .7044 -.0400 8 LEU 8 -.7369 .6236 999.9900 999.9900 .9565 .2811 .7066 .7033 .7047 .4506 9 GLU 9 -.9196 -2.8418 999.9900 -1.0323 .3568 -1.1093 .7061 .7030 .7043 -.5047 10 CYS 10 -.2217 999.9900 .1296 999.9900 .4013 .1031 .7060 .7037 .7046 .3438 11 SER 11 -.3484 999.9900 -.7153 999.9900 .8922 -.0572 .7066 .7023 .7041 .2475 12 SER 12 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .7065 .7030 .7045 .4912 13 ASP 13 -.4515 -1.6521 999.9900 999.9900 .7118 -.4639 .7068 .7043 .7053 .0039 14 SER 14 -2.1138 999.9900 .3727 999.9900 .6705 -.3569 .7063 .7027 .7042 .0677 15 LEU 15 -.9215 -2.5464 999.9900 999.9900 .9565 -.8371 .7068 .7029 .7045 -.2203 16 GLN 16 -.7947 -2.6982 999.9900 1.3059 .5113 -.4189 .7065 .7037 .7049 -.0442 17 LEU 17 -.3896 .5521 999.9900 999.9900 .8331 .3319 .7063 .7022 .7039 .4808 18 HIS 18 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .7062 .7040 .7049 .0168 19 ASN 19 -.7163 -2.7010 999.9900 999.9900 .7518 -.8885 .7067 .7036 .7049 -.2510 20 VAL 20 -.0463 999.9900 .1416 999.9900 .7810 .2921 .7068 .7061 .7064 .4579 21 PHE 21 -.2560 .3192 999.9900 999.9900 .7573 .2735 .7062 .7030 .7043 .4460 22 VAL 22 -2.7360 999.9900 -1.0788 999.9900 .8778 -.9790 .7054 .7054 .7054 -.3052 23 TYR 23 -3.1208 -1.5559 999.9900 999.9900 .5630 -1.3713 .7060 .7028 .7042 -.5410 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7057 .7057 .7057 -.2963 25 SER 25 .8349 999.9900 -.7153 999.9900 .8922 .3372 .7064 .7032 .7046 .4843 26 PHE 26 -2.7602 -1.0645 999.9900 999.9900 .7573 -1.0224 .7067 .7034 .7047 -.3315 27 GLN 27 -1.8275 -2.6982 999.9900 1.3059 .5113 -.6771 .7058 .7037 .7046 -.2165 28 ASP 28 -.2149 -1.3712 999.9900 999.9900 .8104 -.2586 .7059 .6516 .6742 .1164 29 PRO 29 -.1156 999.9900 999.9900 999.9900 .9143 .3993 .7067 .6244 .6587 .5324 30 ASP 30 1.0149 -.6983 999.9900 999.9900 .8104 .3757 .7068 .7040 .7052 .5076 31 VAL 31 .3707 999.9900 -1.0788 999.9900 .8960 .0626 .7067 .7060 .7063 .3201 32 ILE 32 .6852 -.3653 999.9900 999.9900 .6034 .3078 .7063 .7061 .7062 .4671 33 ASN 33 1.1117 -.9481 999.9900 999.9900 .7518 .3052 .7067 .7022 .7040 .4649 34 VAL 34 -.2954 999.9900 .4980 999.9900 .7810 .3279 .7067 .7066 .7066 .4794 35 MET 35 .5476 -1.7864 999.9900 .9587 .5203 .0600 .7056 .7026 .7038 .2747 36 LEU 36 -3.7702 -2.5464 999.9900 999.9900 .8331 -1.8278 .7066 .7024 .7041 -.8149 37 ASP 37 -3.3417 -2.4630 999.9900 999.9900 .7118 -1.6976 .7066 .7041 .7052 -.7364 38 ARG 38 -2.5097 -1.2607 999.9900 .6901 .8581 -.3064 .7066 .7031 .7046 -.0175 39 THR 39 -1.3248 999.9900 .0483 999.9900 .4476 -.2763 .7065 .6627 .6809 .1080 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7062 .6052 .6473 .5452 41 GLU 41 -1.2516 -1.5476 999.9900 -1.0323 .6899 -.7854 .7061 .7026 .7040 -.2888 42 ILE 42 -.1408 -2.2551 999.9900 999.9900 1.0081 -.4626 .7070 .7059 .7063 .0050 43 VAL 43 .0764 999.9900 -1.0788 999.9900 .8778 -.0415 .7068 .7061 .7064 .2577 44 SER 44 -.7578 999.9900 .6576 999.9900 .7781 .2260 .7064 .7025 .7041 .4174 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .7458 .0974 .7057 .7049 .7052 .4014 46 THR 46 .4548 999.9900 .7650 999.9900 .4476 .5558 .7057 .7066 .7062 .6159 47 LEU 47 -2.0123 -.7461 999.9900 999.9900 .8331 -.6418 .7063 .6510 .6740 -.1136 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7059 .6191 .6553 .5486 49 GLY 49 1.0314 999.9900 999.9900 999.9900 .8277 .9295 .7068 .7049 .7058 .8177 50 PHE 50 -.1055 -.1548 999.9900 999.9900 .8629 .2009 .7055 .7031 .7041 .4023 51 GLN 51 -.3431 -2.6982 999.9900 1.3059 .7898 -.2364 .7067 .7030 .7045 .0773 52 ARG 52 -.5383 .5439 999.9900 1.2208 .8581 .6611 .7065 .7024 .7041 .6735 53 PHE 53 -.5116 -1.5726 999.9900 999.9900 .8629 -.4071 .7067 .7035 .7048 .0378 54 ARG 54 -.9440 -2.8571 999.9900 1.0005 .8581 -.1884 .7052 .7035 .7042 .0667 55 LEU 55 -.1836 -2.4128 999.9900 999.9900 .8331 -.5878 .7055 .7030 .7041 -.0709 56 LYS 56 -3.5196 -2.4344 999.9900 -.4035 .7460 -1.2030 .7064 .7033 .7046 -.6579 57 GLY 57 -2.4582 999.9900 999.9900 999.9900 .8277 -.8153 .7061 .7054 .7057 -.0547 58 ARG 58 -1.4842 -2.3766 999.9900 .1593 .8581 -.5368 .7067 .7028 .7044 -.1821 59 LEU 59 -.4930 .3419 999.9900 999.9900 .9565 .2685 .7061 .7034 .7046 .4430 60 TYR 60 -.4486 -1.9357 999.9900 999.9900 .5630 -.6071 .7069 .6528 .6753 -.0923 61 PRO 61 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .7064 .6112 .6509 .0885 62 CYS 62 -1.3337 999.9900 .1296 999.9900 .9108 -.0977 .7061 .7030 .7043 .2232 63 ILE 63 .3059 -.0177 999.9900 999.9900 1.0081 .4321 .7070 .7056 .7062 .5418 64 VAL 64 -.3288 999.9900 -.5532 999.9900 .7810 -.0336 .7069 .6564 .6774 .2525 65 PRO 65 .3744 999.9900 999.9900 999.9900 .6931 .5337 .7067 .6174 .6546 .5979 66 SER 66 .2241 999.9900 -.7153 999.9900 .6705 .0598 .7065 .7028 .7044 .3177 67 GLU 67 .4426 -1.6501 999.9900 -1.0323 .6899 -.3875 .7064 .7027 .7042 -.0235 68 LYS 68 -3.5196 .8571 999.9900 -.4035 .7460 -.5447 .7065 .7035 .7048 -.1876 69 GLY 69 -1.0699 999.9900 999.9900 999.9900 .8277 -.1211 .7064 .7052 .7057 .2923 70 GLU 70 -.4325 -2.8418 999.9900 -1.0323 .6899 -.9042 .7060 .7030 .7043 -.3680 71 VAL 71 .3372 999.9900 -.2457 999.9900 .7810 .2908 .7060 .7054 .7056 .4568 72 HIS 72 -.2681 -1.1713 999.9900 999.9900 .6686 -.2569 .7062 .7038 .7048 .1278 73 GLY 73 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .7059 .7059 .7059 -.1179 74 LYS 74 -.3223 .1621 999.9900 -.4035 .8827 -.0169 .7063 .7023 .7040 .1892 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7063 .7057 .7060 .2903 76 LEU 76 -.8349 -.4018 999.9900 999.9900 .8331 -.1345 .7068 .7032 .7047 .2013 77 MET 77 -.3657 -2.0676 999.9900 .9587 .5203 -.2386 .7062 .7036 .7047 .0759 78 GLY 78 -.9889 999.9900 999.9900 999.9900 .7883 -.1003 .7070 .7055 .7062 .3030 79 VAL 79 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .7070 .7056 .7062 .1448 80 THR 80 -.3368 999.9900 -.8810 999.9900 .7246 -.1644 .7070 .7065 .7067 .1840 81 SER 81 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .7061 .7033 .7045 .5102 82 ASP 82 .8349 -3.7306 999.9900 999.9900 .7118 -.7279 .7063 .7043 .7051 -.1546 83 GLU 83 .8171 -2.8418 999.9900 .3501 .6899 -.2462 .7057 .7040 .7047 .0708 84 LEU 84 .8182 .5563 999.9900 999.9900 .9565 .7770 .7069 .7034 .7049 .7483 85 GLU 85 .6833 .3956 999.9900 -1.0323 .6899 .1841 .7064 .7033 .7046 .3577 86 ASN 86 .9310 -3.3254 999.9900 999.9900 .7518 -.5475 .7044 .7028 .7035 -.0471 87 LEU 87 .6296 .6236 999.9900 999.9900 .8331 .6954 .7066 .7023 .7041 .6990 88 ASP 88 .8349 -1.4542 999.9900 999.9900 .8104 .0637 .7062 .7033 .7045 .3201 89 ALA 89 .3637 999.9900 999.9900 999.9900 .7458 .5548 .7069 .7052 .7059 .6304 90 VAL 90 .9834 999.9900 .4980 999.9900 .7810 .7542 .7064 .7064 .7064 .7350 91 GLU 91 -.1289 -1.5476 999.9900 .3501 .6899 -.1591 .7056 .7020 .7035 .1285 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .7069 .7050 .7058 .4635 93 ASN 93 .1528 -.7217 999.9900 999.9900 .7518 .0610 .7062 .7037 .7047 .3186 94 GLU 94 -3.2255 -1.0407 999.9900 .3501 .3568 -.8898 .7063 .7031 .7044 -.3583 95 TYR 95 -.0710 -.3337 999.9900 999.9900 .5630 .0528 .7067 .7038 .7050 .3138 96 GLU 96 -.4615 .5296 999.9900 -1.0323 .3568 -.1519 .7064 .7028 .7043 .1336 97 ARG 97 -.3136 .3358 999.9900 .1593 .8581 .2398 .7065 .7028 .7043 .3726 98 VAL 98 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .7064 .7051 .7057 .2111 99 THR 99 .0466 999.9900 -.8810 999.9900 .4476 -.1289 .7059 .7062 .7061 .2051 100 VAL 100 -.7132 999.9900 -.0276 999.9900 .7810 .0134 .7062 .7058 .7060 .2905 101 GLY 101 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .7069 .7042 .7054 .3089 102 ILE 102 -.7823 -2.2551 999.9900 999.9900 1.0081 -.6764 .7069 .7057 .7062 -.1233 103 VAL 103 .1158 999.9900 .8055 999.9900 .7810 .5674 .7067 .7065 .7066 .6231 104 ARG 104 -.9221 -1.6149 999.9900 .6901 .8581 -.0598 .7064 .7035 .7047 .1587 105 GLU 105 .0468 1.0486 999.9900 .3501 .6899 .5339 .7065 .7035 .7047 .5909 106 ASP 106 .3976 -1.0010 999.9900 999.9900 .8104 .0690 .7058 .7030 .7042 .3232 107 ASN 107 -.2917 -1.0869 999.9900 999.9900 .6279 -.2502 .7063 .7027 .7042 .1317 108 SER 108 -1.6374 999.9900 -.7153 999.9900 .6705 -.5607 .7057 .7029 .7041 -.0547 109 GLU 109 -1.0793 .3905 999.9900 .3501 .6899 .0878 .7068 .7028 .7045 .2935 110 LYS 110 -.3811 -2.9005 999.9900 -.4035 .7460 -.6685 .7064 .7018 .7037 -.2763 111 MET 111 -.4670 -2.5481 999.9900 .9587 .5203 -.3841 .7060 .7034 .7045 -.0211 112 ALA 112 -1.2183 999.9900 999.9900 999.9900 .7458 -.2362 .7067 .7050 .7057 .2348 113 VAL 113 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .7070 .7052 .7060 .1447 114 LYS 114 -.7069 -2.9005 999.9900 -.4035 .7460 -.7337 .7062 .7018 .7036 -.3229 115 THR 115 -.8088 999.9900 -.8810 999.9900 .7246 -.3217 .7067 .7059 .7062 .0895 116 TYR 116 -.0287 -2.9749 999.9900 999.9900 .8158 -.7293 .7056 .7034 .7043 -.1558 117 MET 117 -.6588 -2.5481 999.9900 .9587 .5203 -.4320 .7051 .7033 .7041 -.0533 118 TRP 118 -.4879 -2.6463 999.9900 999.9900 .9378 -.7321 .7067 .7036 .7049 -.1572 119 ILE 119 .0556 -.7120 999.9900 999.9900 .6034 -.0177 .7065 .7061 .7063 .2719 120 ASN 120 -.9968 -1.5725 999.9900 999.9900 .8079 -.5871 .7059 .7036 .7046 -.0704 121 LYS 121 -1.9503 -2.9005 999.9900 -.4035 .8827 -.9550 .7069 .7032 .7047 -.4807 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7070 .7055 .7061 -.3266 123 ASP 123 -1.5723 -2.1980 999.9900 999.9900 .8104 -.9866 .7067 .6586 .6786 -.3189 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7068 .6136 .6525 .3090 125 ASP 125 .0055 -2.0001 999.9900 999.9900 .8104 -.3947 .7060 .7034 .7045 .0450 126 MET 126 -1.2959 -1.0247 999.9900 .9587 .5203 -.2104 .7069 .7038 .7051 .0948 127 PHE 127 -1.3662 .4845 999.9900 999.9900 .7573 -.0415 .7061 .7032 .7044 .2570 128 GLY 128 -.4622 999.9900 999.9900 999.9900 .8277 .1827 .7061 .7052 .7056 .4442 129 GLU 129 -.3533 -1.9198 999.9900 -1.0323 .6899 -.6539 .7055 .7030 .7040 -.2012 130 TRP 130 -.8485 -3.3859 999.9900 999.9900 .9378 -1.0989 .7062 .7038 .7048 -.3773 131 ASN 131 -1.2316 -2.3357 999.9900 999.9900 .7518 -.9385 .7068 .7032 .7047 -.2811 132 PHE 132 1.2168 -.0015 999.9900 999.9900 .7573 .6575 .7065 .7031 .7046 .6765 133 GLU 133 .6116 -.4402 999.9900 -1.0323 .6899 -.0427 .7065 .7039 .7050 .2066 134 GLU 134 .6116 .3424 999.9900 1.1588 .6899 .7007 .7055 .7034 .7043 .7019 135 TRP 135 .8412 -1.6686 999.9900 999.9900 .9378 .0368 .7062 .7034 .7045 .3040 136 LYS 136 .7090 -.9566 999.9900 -.4035 .7460 -.0617 .7068 .7025 .7043 .1572 137 ARG 137 .6323 .1363 999.9900 .5548 .8581 .5473 .7057 .7032 .7042 .5922 138 LEU 138 -.2213 -1.6805 999.9900 999.9900 .8331 -.3562 .7060 .7033 .7044 .0681 139 HIS 139 .1567 .4861 999.9900 999.9900 .6686 .4371 .7066 .7039 .7050 .5444 140 LYS 140 1.2214 -.1697 999.9900 -.0770 .8827 .3561 .7067 .7019 .7039 .4556 141 LYS 141 -.1232 -1.9682 999.9900 .1140 .8827 -.1961 .7063 .7024 .7040 .0611 142 LYS 142 .9451 -1.4228 999.9900 -.4035 .7460 -.1077 .7067 .7035 .7049 .1245 143 PHE 143 .0766 -.7766 999.9900 999.9900 .7573 .0191 .7064 .7024 .7041 .2932 144 ILE 144 .4667 -.0177 999.9900 999.9900 .6034 .3508 .7066 .7058 .7061 .4930 145 GLU 145 .0908 .4819 999.9900 -1.0323 .6899 .0576 .7058 .7027 .7040 .2731 146 THR 146 .1421 999.9900 -.8810 999.9900 .4476 -.0971 .7054 .7062 .7058 .2240 147 PHE 147 .7405 -3.6820 999.9900 999.9900 .7573 -.7280 .7061 .7029 .7042 -.1550 148 LYS 148 1.0429 -1.1257 999.9900 -.4035 .8827 -.0014 .7069 .7027 .7044 .2004 149 LYS 149 .6780 -.1814 999.9900 -.4035 .8827 .1144 .7063 .7037 .7048 .2832 150 ILE 150 .6852 .8237 999.9900 999.9900 1.0081 .8390 .7066 .7061 .7063 .7860 151 MET 151 .6473 -.2630 999.9900 .9587 .5203 .4658 .7061 .7029 .7042 .5454 152 GLU 152 .6833 -1.0407 999.9900 1.1588 .6899 .3728 .7059 .7037 .7046 .4835 153 CYS 153 1.0802 999.9900 .1296 999.9900 .9108 .7069 .7068 .7037 .7050 .7062 154 LYS 154 .0670 -.6359 999.9900 .4778 .8827 .2539 .7070 .7017 .7039 .3826 155 LYS 155 -2.5748 -1.6955 999.9900 .5131 .8827 -.4723 .7068 .7035 .7049 -.1359 156 LYS 156 -2.1934 -1.9682 999.9900 -.4035 .8827 -.8172 .7066 .6621 .6806 -.3882 157 PRO 157 -2.8996 999.9900 999.9900 999.9900 .4496 -1.2250 .7067 .6050 .6474 -.2846 158 GLN 158 -2.2003 -1.1512 999.9900 1.3059 .5113 -.3836 .7062 .7033 .7045 -.0208 159 GLY 159 -2.2927 999.9900 999.9900 999.9900 .8277 -.7325 .7068 .7046 .7056 -.0134 160 GLN 160 -2.2003 -1.9601 999.9900 1.3059 .5113 -.5858 .7066 .7036 .7049 -.1555 161 GLY 161 -1.1293 999.9900 999.9900 999.9900 .8277 -.1508 .7069 .7052 .7059 .2776 162 ASN 162 -1.0313 -3.3254 999.9900 999.9900 .7518 -1.2016 .7069 .7027 .7045 -.4391 163 ASP 163 -.1512 -2.6388 999.9900 999.9900 .8104 -.6598 .7069 .7034 .7049 -.1138 164 ASP 164 -.5899 -1.7105 999.9900 999.9900 .8104 -.4967 .7066 .7038 .7050 -.0159 165 ILE 165 -.1535 -.5668 999.9900 999.9900 .6034 -.0390 .7064 .7062 .7063 .2591 166 SER 166 .2130 999.9900 -.7153 999.9900 .6705 .0561 .7069 .7026 .7044 .3155 167 HIS 167 -2.1861 -2.4183 999.9900 999.9900 .6686 -1.3119 .7052 .7033 .7041 -.5055 168 VAL 168 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .7063 .7059 .7061 -.6453 169 LEU 169 -.9896 .5563 999.9900 999.9900 .9565 .1744 .7066 .7032 .7046 .3866 170 ARG 170 -2.2658 -.8531 999.9900 .1593 .8581 -.3884 .7063 .7032 .7045 -.0761 171 GLU 171 -.4269 -1.0407 999.9900 1.7325 .6899 .2387 .7064 .7025 .7041 .3940 172 ASP 172 -1.8260 -3.7306 999.9900 999.9900 .7118 -1.6149 .7067 .7035 .7048 -.6869 173 GLN 173 999.9900 -1.4944 999.9900 1.3059 999.9900 -.0942 .7070 .7003 .7032 .3047 Means: -.5794 -1.3552 -.4186 .1672 .7403 -.2316 .7064 .6981 .7016 .1219 2.00 analyzed_6