1 GLY 1 999.9900 999.9900 999.9900 999.9900 .7883 .7883 .7066 .7062 .7064 .7337 2 HIS 2 -.1228 .0128 999.9900 999.9900 .6686 .1862 .7060 .7026 .7040 .3935 3 HIS 3 -1.9498 -.0314 999.9900 999.9900 .6686 -.4375 .7062 .7039 .7048 .0195 4 HIS 4 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7062 .7042 .7050 -.8235 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .7052 .7041 .7045 -.8238 6 HIS 6 -.5497 -.0314 999.9900 999.9900 .6686 .0292 .7067 .7033 .7047 .2995 7 HIS 7 -.7145 -3.1083 999.9900 999.9900 .6686 -1.0514 .7055 .7030 .7041 -.3491 8 LEU 8 -3.7702 -1.6805 999.9900 999.9900 .8331 -1.5392 .7062 .7025 .7040 -.6418 9 GLU 9 -.6642 -2.8418 999.9900 -1.0323 .6899 -.9621 .7062 .7030 .7043 -.4065 10 CYS 10 -3.0830 999.9900 .1296 999.9900 1.0610 -.6308 .7069 .7031 .7047 -.0965 11 SER 11 -.4678 999.9900 -.7153 999.9900 .8922 -.0970 .7062 .7035 .7046 .2237 12 SER 12 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .7067 .7030 .7045 .1718 13 ASP 13 -3.3417 -1.8420 999.9900 999.9900 .7118 -1.4906 .7060 .7035 .7045 -.6125 14 SER 14 -2.5541 999.9900 -.7153 999.9900 .6705 -.8663 .7066 .7019 .7039 -.2381 15 LEU 15 -.7230 -2.4128 999.9900 999.9900 .9565 -.7264 .7063 .7030 .7044 -.1540 16 GLN 16 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .7071 .7030 .7047 -.4324 17 LEU 17 -.4371 -1.9410 999.9900 999.9900 .8331 -.5150 .7070 .7031 .7047 -.0270 18 HIS 18 -.6701 -1.3248 999.9900 999.9900 .6686 -.4421 .7052 .7036 .7043 .0165 19 ASN 19 -.7163 -3.3254 999.9900 999.9900 .8079 -1.0779 .7064 .7022 .7040 -.3650 20 VAL 20 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .7068 .7060 .7063 .2138 21 PHE 21 -.2560 .6387 999.9900 999.9900 .7573 .3800 .7061 .7035 .7046 .5099 22 VAL 22 -2.7360 999.9900 -.5532 999.9900 .8778 -.8038 .7066 .7062 .7063 -.1997 23 TYR 23 -3.1208 -1.5559 999.9900 999.9900 .5630 -1.3713 .7066 .7026 .7043 -.5409 24 GLY 24 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .7068 .7047 .7056 -.2963 25 SER 25 .5661 999.9900 -.7153 999.9900 .6705 .1737 .7070 .7026 .7045 .3862 26 PHE 26 -2.3628 .9147 999.9900 999.9900 .7573 -.2302 .7069 .7036 .7049 .1439 27 GLN 27 -.7555 -2.6982 999.9900 1.3059 .5113 -.4091 .7066 .7035 .7048 -.0377 28 ASP 28 -.6293 -2.3194 999.9900 999.9900 .7118 -.7457 .7068 .6528 .6753 -.1755 29 PRO 29 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7066 .6082 .6492 .3398 30 ASP 30 1.0149 -1.2276 999.9900 999.9900 .8104 .1992 .7066 .7035 .7048 .4016 31 VAL 31 .3707 999.9900 .4980 999.9900 .7810 .5499 .7061 .7056 .7058 .6123 32 ILE 32 .6852 -1.0628 999.9900 999.9900 .6034 .0753 .7069 .7064 .7066 .3278 33 ASN 33 1.1117 -2.0766 999.9900 999.9900 .7518 -.0710 .7067 .7024 .7042 .2392 34 VAL 34 -.2954 999.9900 .5873 999.9900 .7810 .3576 .7068 .7063 .7065 .4972 35 MET 35 .5476 -2.5481 999.9900 .9587 .5203 -.1304 .7066 .7039 .7050 .1481 36 LEU 36 -3.7702 -2.9612 999.9900 999.9900 .8331 -1.9661 .7066 .7023 .7041 -.8978 37 ASP 37 -3.3417 -1.9171 999.9900 999.9900 .7118 -1.5157 .7063 .7040 .7050 -.6273 38 ARG 38 -.8053 .5934 999.9900 .1593 .6728 .1559 .7066 .7020 .7039 .3126 39 THR 39 .1734 999.9900 1.0667 999.9900 .9813 .7405 .7070 .6585 .6787 .7174 40 PRO 40 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7062 .6108 .6506 .5466 41 GLU 41 -.5578 -1.9198 999.9900 -1.0323 .6899 -.7050 .7065 .7036 .7048 -.2350 42 ILE 42 .0813 -1.9342 999.9900 999.9900 1.0081 -.2816 .7064 .7059 .7061 .1135 43 VAL 43 .0764 999.9900 -.5532 999.9900 .8778 .1337 .7064 .7062 .7063 .3627 44 SER 44 -.7578 999.9900 .3727 999.9900 .7781 .1310 .7060 .7030 .7043 .3604 45 ALA 45 -.5509 999.9900 999.9900 999.9900 .8416 .1454 .7064 .7051 .7056 .4256 46 THR 46 .4548 999.9900 .8779 999.9900 .4476 .5934 .7056 .7061 .7059 .6384 47 LEU 47 -2.5767 -.7461 999.9900 999.9900 .8331 -.8299 .7065 .6512 .6742 -.2264 48 PRO 48 .4197 999.9900 999.9900 999.9900 .4496 .4347 .7065 .6197 .6559 .5489 49 GLY 49 .7683 999.9900 999.9900 999.9900 .8277 .7980 .7068 .7050 .7058 .7519 50 PHE 50 -.0803 -.1548 999.9900 999.9900 .7573 .1741 .7065 .7039 .7050 .3865 51 GLN 51 -.3431 -2.6982 999.9900 1.3059 .7898 -.2364 .7068 .7043 .7053 .0776 52 ARG 52 -.3796 -2.8571 999.9900 .6901 .8581 -.1997 .7063 .7036 .7047 .0588 53 PHE 53 -.6363 -1.8165 999.9900 999.9900 .8629 -.5300 .7068 .7026 .7043 -.0361 54 ARG 54 -.5733 -1.1946 999.9900 1.8476 .8581 .5571 .7066 .7026 .7043 .5992 55 LEU 55 -3.7702 -3.3760 999.9900 999.9900 .8331 -2.1043 .7063 .7032 .7045 -.9807 56 LYS 56 -1.8854 -.9951 999.9900 .4411 .7460 -.2504 .7068 .7029 .7045 .0225 57 GLY 57 -1.8567 999.9900 999.9900 999.9900 .8277 -.5145 .7066 .7048 .7056 .0956 58 ARG 58 -1.2588 -2.3766 999.9900 .6901 .8581 -.2794 .7067 .7031 .7046 .0018 59 LEU 59 -.4930 -.0082 999.9900 999.9900 .9565 .1518 .7067 .7030 .7045 .3730 60 TYR 60 -.2520 -1.9357 999.9900 999.9900 .8158 -.4573 .7066 .6500 .6736 -.0031 61 PRO 61 -2.7614 999.9900 999.9900 999.9900 .4496 -1.1559 .7062 .6168 .6541 -.2472 62 CYS 62 -2.1588 999.9900 .1296 999.9900 .9108 -.3728 .7070 .7030 .7047 .0583 63 ILE 63 -.4396 -.6139 999.9900 999.9900 1.0081 -.0151 .7070 .7056 .7062 .2734 64 VAL 64 -.8680 999.9900 -1.0788 999.9900 .8960 -.3503 .7068 .6602 .6796 .0633 65 PRO 65 .0120 999.9900 999.9900 999.9900 .6931 .3525 .7065 .6128 .6518 .5061 66 SER 66 .0184 999.9900 .3727 999.9900 .6705 .3539 .7068 .7033 .7048 .4943 67 GLU 67 .6116 -1.7714 999.9900 1.1588 .6899 .1722 .7057 .7033 .7043 .3497 68 LYS 68 -3.5196 -1.4228 999.9900 .1731 .7460 -.7701 .7058 .7033 .7044 -.3487 69 GLY 69 -1.2645 999.9900 999.9900 999.9900 .8277 -.2184 .7061 .7054 .7057 .2437 70 GLU 70 -.4325 -1.6501 999.9900 -1.0323 .6899 -.6063 .7063 .7021 .7038 -.1695 71 VAL 71 .3372 999.9900 .7395 999.9900 .7810 .6192 .7068 .7061 .7064 .6541 72 HIS 72 -.5132 .2086 999.9900 999.9900 .6686 .1213 .7058 .7038 .7046 .3547 73 GLY 73 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .7064 .7050 .7056 -.0646 74 LYS 74 -.2978 .1621 999.9900 -.4035 .8827 -.0120 .7056 .7031 .7041 .1927 75 VAL 75 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .7069 .7050 .7058 .2903 76 LEU 76 -.8349 -1.3209 999.9900 999.9900 .8331 -.4409 .7069 .7019 .7039 .0172 77 MET 77 -.9371 -.6258 999.9900 .9587 .5203 -.0210 .7066 .7034 .7048 .2210 78 GLY 78 .4543 999.9900 999.9900 999.9900 .7883 .6213 .7063 .7051 .7056 .6635 79 VAL 79 -.9399 999.9900 -1.0788 999.9900 .7810 -.4125 .7060 .7061 .7060 .0349 80 THR 80 -.1761 999.9900 -.8810 999.9900 .7246 -.1109 .7065 .7059 .7061 .2160 81 SER 81 .9506 999.9900 -.0289 999.9900 .7781 .5666 .7066 .7022 .7040 .6217 82 ASP 82 1.0815 -1.0785 999.9900 999.9900 .7118 .2382 .7064 .7042 .7051 .4251 83 GLU 83 .8733 .2009 999.9900 1.1588 .6899 .7307 .7061 .7032 .7044 .7220 84 LEU 84 .8182 -2.4128 999.9900 999.9900 .8331 -.2538 .7069 .7034 .7049 .1298 85 GLU 85 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .7057 .7025 .7039 -.1505 86 ASN 86 .9642 -2.3357 999.9900 999.9900 .7518 -.2066 .7054 .7027 .7038 .1577 87 LEU 87 .8182 .8710 999.9900 999.9900 .8331 .8408 .7056 .7034 .7043 .7863 88 ASP 88 1.1285 -1.1348 999.9900 999.9900 .8104 .2680 .7068 .7041 .7052 .4430 89 ALA 89 .3637 999.9900 999.9900 999.9900 .7458 .5548 .7067 .7055 .7060 .6304 90 VAL 90 .7260 999.9900 -.5532 999.9900 .7810 .3180 .7068 .7059 .7063 .4733 91 GLU 91 -.1289 -.4402 999.9900 .3501 .6899 .1177 .7039 .7028 .7033 .3129 92 GLY 92 -.3460 999.9900 999.9900 999.9900 .8277 .2408 .7062 .7051 .7056 .4732 93 ASN 93 .9642 -.6730 999.9900 999.9900 .7518 .3477 .7052 .7027 .7038 .4902 94 GLU 94 -2.8104 .6515 999.9900 -1.0323 .3568 -.7086 .7063 .7027 .7042 -.2376 95 TYR 95 .1219 .0164 999.9900 999.9900 .5630 .2338 .7069 .7031 .7047 .4223 96 GLU 96 -.5863 -.7009 999.9900 -1.0323 .6899 -.4074 .7067 .7041 .7052 -.0365 97 ARG 97 -.3136 -1.8960 999.9900 .6901 .8581 .0057 .7065 .7033 .7046 .2055 98 VAL 98 -.0523 999.9900 -.5532 999.9900 .7810 .0585 .7062 .7046 .7052 .3173 99 THR 99 -.2319 999.9900 -.8810 999.9900 .9813 -.0439 .7065 .7066 .7066 .2563 100 VAL 100 -.3548 999.9900 -.2457 999.9900 .7810 .0602 .7065 .7060 .7063 .3186 101 GLY 101 -.7692 999.9900 999.9900 999.9900 .7883 .0095 .7068 .7055 .7061 .3578 102 ILE 102 -1.0140 -2.2551 999.9900 999.9900 1.0081 -.7537 .7067 .7062 .7064 -.1696 103 VAL 103 -1.1312 999.9900 .1416 999.9900 .7810 -.0695 .7061 .7065 .7063 .2408 104 ARG 104 -.5733 -1.6149 999.9900 .6901 .8581 .0100 .7066 .7030 .7045 .2085 105 GLU 105 -.2702 .3905 999.9900 2.1776 .6899 .7469 .7068 .7033 .7048 .7330 106 ASP 106 -1.1493 -2.8653 999.9900 999.9900 .8104 -1.0681 .7061 .7039 .7048 -.3589 107 ASN 107 -.7903 -1.7113 999.9900 999.9900 .6279 -.6246 .7068 .7025 .7043 -.0929 108 SER 108 -2.3021 999.9900 -.7153 999.9900 .6705 -.7823 .7060 .7031 .7043 -.1876 109 GLU 109 -.4382 -1.1358 999.9900 -1.0323 .6899 -.4791 .7059 .7037 .7046 -.0845 110 LYS 110 -.2075 -1.9682 999.9900 -.4035 .7460 -.4473 .7068 .7027 .7044 -.1182 111 MET 111 -.4670 -2.5481 999.9900 .9587 .4206 -.4090 .7065 .7038 .7049 -.0376 112 ALA 112 -.8393 999.9900 999.9900 999.9900 .7458 -.0467 .7069 .7050 .7058 .3296 113 VAL 113 -1.4748 999.9900 -1.0788 999.9900 .8960 -.5525 .7069 .7060 .7064 -.0489 114 LYS 114 -1.2016 -1.0793 999.9900 -.4035 .7460 -.4684 .7063 .7024 .7040 -.1333 115 THR 115 -1.6428 999.9900 -.8810 999.9900 .7246 -.5997 .7063 .7061 .7062 -.0774 116 TYR 116 -.1271 -2.9749 999.9900 999.9900 .8158 -.7621 .7060 .7032 .7044 -.1754 117 MET 117 -.8637 -2.5481 999.9900 .9587 .5203 -.4832 .7060 .7037 .7047 -.0872 118 TRP 118 -.4879 -3.3859 999.9900 999.9900 .9378 -.9787 .7060 .7030 .7043 -.3054 119 ILE 119 .6852 -1.7901 999.9900 999.9900 .6034 -.1672 .7061 .7066 .7064 .1822 120 ASN 120 .2331 -3.3254 999.9900 999.9900 .7518 -.7801 .7061 .7023 .7039 -.1864 121 LYS 121 -2.5748 .4325 999.9900 -.4035 .8827 -.4133 .7064 .7022 .7040 -.0940 122 ALA 122 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .7070 .7056 .7062 -.3266 123 ASP 123 -3.3417 -2.3194 999.9900 999.9900 .8104 -1.6169 .7063 .6560 .6770 -.6977 124 PRO 124 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7063 .6176 .6546 .3098 125 ASP 125 1.0815 1.2644 999.9900 999.9900 .8104 1.0521 .7059 .7029 .7042 .9130 126 MET 126 -.4857 -1.0247 999.9900 .9587 .5203 -.0079 .7065 .7027 .7043 .2296 127 PHE 127 -3.6149 -1.8165 999.9900 999.9900 .7573 -1.5580 .7057 .7033 .7043 -.6530 128 GLY 128 -.8931 999.9900 999.9900 999.9900 .8277 -.0327 .7056 .7050 .7053 .3363 129 GLU 129 -.5578 .0118 999.9900 -1.0323 .6899 -.2221 .7056 .7029 .7040 .0867 130 TRP 130 -1.1250 -3.3859 999.9900 999.9900 .9378 -1.1910 .7063 .7037 .7048 -.4326 131 ASN 131 -1.9210 -1.1653 999.9900 999.9900 .7518 -.7782 .7063 .7034 .7046 -.1850 132 PHE 132 .4032 -4.3038 999.9900 999.9900 .7573 -1.0478 .7062 .7022 .7039 -.3470 133 GLU 133 .7157 -.9977 999.9900 -1.0323 .6899 -.1561 .7057 .7028 .7040 .1307 134 GLU 134 -.2326 .5502 999.9900 -1.0323 .6899 -.0062 .7061 .7030 .7043 .2307 135 TRP 135 .7294 -1.6686 999.9900 999.9900 .9378 -.0005 .7067 .7028 .7044 .2816 136 LYS 136 .9451 -1.4228 999.9900 .2868 .7460 .1684 .7068 .7028 .7045 .3216 137 ARG 137 .9011 .1363 999.9900 .1593 .8581 .4428 .7056 .7036 .7044 .5176 138 LEU 138 -.2213 -1.6462 999.9900 999.9900 .8331 -.3448 .7067 .7032 .7047 .0751 139 HIS 139 .0561 .7657 999.9900 999.9900 .6686 .4968 .7057 .7036 .7044 .5799 140 LYS 140 .2805 -.1697 999.9900 -.4035 .8827 .0373 .7064 .7023 .7040 .2279 141 LYS 141 -.1232 .8340 999.9900 .4996 .8827 .5185 .7064 .7023 .7040 .5716 142 LYS 142 .9451 -1.2293 999.9900 -.4035 .7460 -.0690 .7061 .7027 .7041 .1519 143 PHE 143 -.0639 -3.3183 999.9900 999.9900 .7573 -.8750 .7063 .7035 .7047 -.2430 144 ILE 144 .0556 -.0177 999.9900 999.9900 .6034 .2137 .7067 .7060 .7063 .4108 145 GLU 145 -.1187 -2.3808 999.9900 -1.0323 .6899 -.7105 .7064 .7032 .7045 -.2387 146 THR 146 -.3004 999.9900 .8779 999.9900 .4476 .3417 .7069 .7060 .7064 .4876 147 PHE 147 .7405 -4.3038 999.9900 999.9900 .7573 -.9353 .7063 .7018 .7037 -.2796 148 LYS 148 1.0429 -1.1755 999.9900 -.4035 .8827 -.0114 .7067 .7025 .7042 .1932 149 LYS 149 .6780 -.0243 999.9900 -.4035 .8827 .1459 .7068 .7020 .7040 .3054 150 ILE 150 .4667 .6227 999.9900 999.9900 1.0081 .6992 .7064 .7061 .7062 .7020 151 MET 151 .5330 -2.5481 999.9900 .9587 .5203 -.1340 .7065 .7032 .7046 .1456 152 GLU 152 .0765 -1.7714 999.9900 .3501 .6899 -.1637 .7066 .7024 .7042 .1257 153 CYS 153 .6740 999.9900 .1296 999.9900 .9108 .5715 .7066 .7025 .7042 .6247 154 LYS 154 1.0429 -.5289 999.9900 .2495 .8827 .3791 .7069 .7028 .7045 .4722 155 LYS 155 -3.5196 -1.0793 999.9900 .1140 .8827 -.6976 .7066 .7032 .7046 -.2969 156 LYS 156 -1.2486 -1.1257 999.9900 -.4035 .8827 -.4597 .7066 .6550 .6765 -.1339 157 PRO 157 -2.5362 999.9900 999.9900 999.9900 .4496 -1.0433 .7065 .6043 .6469 -.1939 158 GLN 158 -3.1236 -.6855 999.9900 1.3059 .5113 -.4980 .7070 .7034 .7049 -.0969 159 GLY 159 -2.0431 999.9900 999.9900 999.9900 .8277 -.6077 .7067 .7043 .7054 .0489 160 GLN 160 -3.1236 .2375 999.9900 1.3059 .5113 -.2672 .7068 .7031 .7047 .0568 161 GLY 161 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .7062 .7048 .7054 -.1181 162 ASN 162 -.3337 -1.8756 999.9900 999.9900 .7518 -.4858 .7058 .7024 .7038 -.0098 163 ASP 163 -1.8260 -2.4630 999.9900 999.9900 .8104 -1.1595 .7070 .7040 .7052 -.4135 164 ASP 164 -.2689 -1.4992 999.9900 999.9900 .8104 -.3192 .7057 .7038 .7046 .0904 165 ILE 165 -1.9699 -2.6526 999.9900 999.9900 .6034 -1.3397 .7069 .7063 .7066 -.5212 166 SER 166 .1050 999.9900 -.7153 999.9900 .6705 .0200 .7068 .7024 .7042 .2939 167 HIS 167 -2.1861 -3.1083 999.9900 999.9900 .6686 -1.5419 .7055 .7038 .7045 -.6433 168 VAL 168 -1.4203 999.9900 -.5532 999.9900 .7810 -.3975 .7048 .7062 .7057 .0437 169 LEU 169 -3.3085 -2.1315 999.9900 999.9900 .9565 -1.4945 .7067 .7030 .7045 -.6148 170 ARG 170 -2.2658 -1.8960 999.9900 .1593 .6728 -.6341 .7065 .7025 .7042 -.2516 171 GLU 171 -2.8104 -1.7714 999.9900 -1.0323 .6899 -1.2310 .7064 .7034 .7046 -.5857 172 ASP 172 -1.2751 -.4801 999.9900 999.9900 .8104 -.3149 .7066 .7038 .7050 .0931 173 GLN 173 999.9900 -.1712 999.9900 1.3059 999.9900 .5673 .7067 .7008 .7033 .6356 Means: -.7643 -1.4239 -.2862 .1711 .7485 -.2908 .7064 .6980 .7015 .0851 2.00 analyzed_17