NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4743 8.3193 115.4137 57.9576 63.8636 175.5888 -1 N 4.7831 8.8874 114.2733 50.3346 37.6017 173.9374 0 A 4.3197 7.6826 127.2719 52.6233 20.3706 181.0705 0 I 4.1697 7.4426 123.3719 61.2233 40.0706 179.6705 3 A 4.1770 7.7020 121.3076 54.9325 17.9485 179.6719 4 K 3.9226 7.8901 117.6323 59.8790 32.5326 178.6239 5 E 4.1197 8.3134 119.7021 58.7028 29.2602 179.2389 6 F 4.5115 8.2532 120.0194 61.3530 39.6580 176.3517 7 E 3.7802 8.1146 118.7224 59.5575 29.1545 178.6746 8 T 3.8155 8.1239 109.6677 65.0492 68.7988 175.5714 9 F 4.0958 8.3953 124.1806 60.8299 39.3356 177.1314 10 L 3.9134 8.2579 118.6536 57.8437 41.3120 179.3456 11 L 4.1131 8.3463 119.4080 57.8362 41.2653 179.8555 12 G 3.4071 7.5030 104.1859 46.7983 0.0000 174.6151 13 Q 4.1856 7.6701 118.5981 55.8403 29.6523 177.6719 14 E 3.1036 6.8412 120.7679 58.9238 30.2528 178.0401 15 E 4.0228 7.7696 118.2944 59.8530 29.6864 179.1412 16 T 4.3674 7.5085 105.4966 62.1659 68.3683 175.4874 17 F 4.8016 8.0458 123.6880 60.1254 39.4873 175.8708 18 L 4.2804 7.9808 122.6092 54.9316 42.5337 175.5659 19 T 4.4672 9.0065 123.9295 61.6919 70.1586 172.6320 20 P 4.7397 0.0000 0.0000 61.9946 32.3725 176.9934 21 A 4.2269 8.9291 126.1735 55.7683 18.2628 179.2021 22 K 3.8184 8.3966 113.2069 59.1924 32.1077 176.7135 23 N 4.7104 8.0513 119.6378 53.0877 38.7171 173.2210 24 L 5.2151 7.8964 135.0000 54.6491 44.5629 172.9124 25 A 4.2255 8.4058 130.0455 52.0810 19.0327 176.3084 26 V 4.6147 8.0908 115.2515 59.4774 35.9130 174.4342 27 L 4.9152 8.4739 119.4048 53.3624 46.0113 176.0518 28 I 5.4912 8.3049 121.4498 59.1000 38.6838 176.7907 29 D 4.4091 8.8781 125.9038 55.4525 39.3151 177.3895 30 T 4.5543 7.4753 107.8584 61.4315 69.4197 173.7459 31 H 4.5831 8.0340 120.9320 55.3760 29.7673 174.9092 32 N 4.9019 8.5368 120.5085 53.0096 39.3276 176.1895 33 A 4.0107 8.7706 124.1276 54.9885 18.5627 179.8881 34 D 4.2324 8.0990 116.3522 57.9368 41.3637 177.8623 35 H 4.1288 9.1009 118.9089 59.2110 29.7877 177.0938 36 A 4.0332 8.0449 122.2589 55.1479 18.2484 179.7383 37 T 3.7882 7.7361 114.4650 66.8091 68.3184 176.4518 38 L 3.9578 7.5351 120.4813 57.9274 42.2757 178.7251 39 L 4.1592 7.5034 118.5800 57.4834 41.6465 179.1303 40 L 4.1773 8.1061 117.7960 56.8695 41.6537 178.7300 41 S 4.4278 7.7756 112.1829 59.0255 63.9117 174.2982 42 Q 4.5455 7.6044 122.2640 55.9012 28.9814 176.5902 *44 T 4.1629 7.8703 115.1590 63.3107 70.6761 174.7770 45 Y 4.7430 7.4194 117.1039 57.1171 39.4966 175.5582 46 T 4.3235 8.6101 112.1535 63.0628 69.8770 174.5567 47 R 5.1871 8.0348 119.4383 54.4241 33.9473 175.2089 48 V 4.6670 8.7612 114.6327 58.6644 36.2338 173.4719 49 P 4.7820 0.0000 0.0000 62.9220 32.5861 175.2658 50 V 4.8348 8.7499 124.0964 61.1359 33.8448 174.8415 51 V 4.7143 8.7854 126.3448 60.1076 35.1493 174.8892 52 T 4.2331 8.8505 115.0149 61.5906 66.3532 176.9038 53 D 4.3085 7.6727 119.9770 53.9145 45.0371 176.5610 *55 K 4.7014 7.8395 126.9232 56.0308 33.4209 176.5610 56 Q 4.3436 7.6561 118.5084 55.9752 29.6849 176.7931 57 F 4.3797 9.5980 126.0867 58.3227 40.1112 174.2539 58 V 3.8766 7.3138 127.4080 62.3305 33.0608 175.9632 59 G 3.7864 5.3800 106.1383 45.9292 0.0000 170.9491 60 T 5.1831 7.7631 110.2188 60.3279 72.8802 172.9268 61 I 5.3029 7.7671 119.7485 61.0683 42.1569 173.3779 62 G 4.6729 8.5060 113.9881 43.6300 0.0000 172.8945 63 L 4.0823 8.8219 118.6557 57.9400 41.8589 179.8411 64 R 4.0192 8.3197 117.3695 59.6851 30.2554 177.1641 65 D 4.5354 8.2221 117.3656 57.5871 41.1332 178.7234 66 I 3.7592 7.4682 115.7526 62.0472 36.6233 177.6877 *68 A 4.2498 8.0852 124.4496 52.5320 20.0428 178.1581 69 Y 4.2344 8.0687 116.7691 61.1403 39.1354 178.2912 70 Q 4.2185 8.3774 118.0349 56.8710 28.5254 177.1027 *72 E 4.2288 8.1080 117.2594 55.5270 31.2215 176.1851 73 H 4.5764 7.5783 112.3382 54.4379 30.4488 173.4008 74 D 4.3424 7.8771 117.5704 55.0369 38.8271 172.0458 75 L 4.7657 7.8301 118.6898 52.1558 44.0453 177.3787 76 S 4.3665 8.4269 116.9527 58.2160 63.4939 175.3049 77 Q 4.1410 8.5406 119.6814 58.9441 28.7669 178.0273 78 E 4.0961 7.6105 115.1451 59.4086 29.9928 179.2449 79 I 3.8601 7.6185 117.6632 61.6523 36.2062 177.3872 *81 A 4.5499 7.9759 122.5141 51.8352 20.0489 177.4110 82 D 4.9020 7.9795 113.9077 53.6733 41.9446 175.1663 83 T 4.5163 7.6288 114.0108 60.8037 70.9232 173.3481 84 D 4.6695 8.6976 126.4280 54.6982 41.1334 177.2270 85 I 3.8091 7.9125 123.1421 63.9294 37.3806 178.8971 86 V 3.5628 7.2253 119.5226 64.9374 30.9855 177.1943 87 H 4.2053 7.5179 113.6181 56.7713 27.8808 174.9309 *89 T 3.8884 7.6791 115.9021 62.9709 69.3109 173.5805 90 K 4.1594 8.6193 128.1287 56.7968 31.5284 176.9595 91 T 4.3463 8.3850 117.2491 62.0006 69.7889 174.6091 92 D 4.7606 7.8160 121.9803 54.1393 39.9192 176.3520 93 V 4.4519 7.5225 111.0065 60.0313 34.9141 175.9262 94 A 4.1715 8.3346 125.6143 52.6947 18.8502 177.2973 95 V 4.6380 7.7776 119.3555 60.6922 34.4967 173.8050 96 V 4.7145 8.5013 114.5961 59.4537 36.0413 175.4451 97 S 5.0122 8.4399 116.9230 56.8469 64.4459 173.2654 98 P 4.7126 0.0000 0.0000 64.3009 31.5634 176.6811 99 D 4.7164 7.2640 118.3883 53.1964 40.7828 176.7339 100 F 4.4468 7.6264 113.4925 57.0899 39.0440 175.2186 101 T 4.6500 8.2008 112.2449 60.2107 72.1266 175.7724 102 I 3.8760 8.2363 123.6456 65.0787 37.1846 178.3320 103 T 3.8815 8.2215 115.9068 67.1083 68.2514 175.9645 104 E 3.9245 7.9122 118.4305 59.9764 29.6070 179.5892 105 V 3.5039 7.7094 117.9818 66.3306 31.3013 177.8086 106 L 3.9663 8.0831 118.8128 58.3177 41.9999 179.0208 107 H 4.3749 8.7102 118.4143 58.9527 29.5192 177.1731 108 K 4.1213 8.4942 120.0904 58.0397 31.8209 178.1311 109 L 4.5444 7.4846 117.6259 55.1677 41.7693 178.3045 110 V 3.7462 7.2311 118.3028 65.2363 31.5087 177.0318 111 D 4.5694 7.5070 116.5222 54.6160 41.7060 176.4403 112 E 4.6609 7.1584 114.8452 54.0719 32.1715 175.9962 113 S 4.4767 8.2262 114.4875 60.6223 64.2679 173.2826 114 F 5.2557 7.3204 113.6168 55.6519 40.9052 173.5677 115 L 4.7806 9.0999 122.3426 52.5103 44.3363 173.8192 116 P 4.6906 0.0000 0.0000 62.9181 32.6859 175.5708 117 V 4.6177 8.8172 125.1826 61.2510 33.1169 174.6471 118 V 4.8281 8.3304 121.1566 59.0346 35.7776 175.1086 119 D 4.4558 8.9996 124.0206 54.1873 42.1527 178.0408 120 A 4.2562 8.5560 120.7678 53.2857 17.8444 177.6934 121 E 4.6501 8.0200 115.2242 56.9695 31.0901 177.2231 122 G 4.1889 8.4875 108.0666 46.4956 0.0000 173.6943 123 I 4.7994 7.4100 120.8908 59.2899 37.7596 174.9979 124 F 4.4264 9.0858 128.5356 58.5017 39.7979 174.2259 125 Q 4.2873 9.5295 127.3816 54.5231 30.8879 175.4296 126 G 3.6019 5.3800 103.2629 46.2616 0.0000 170.6944 127 I 5.0432 8.1451 112.3490 59.6172 41.6764 174.0263 128 I 4.8023 8.8124 125.1791 59.1511 38.8954 175.2359 129 T 4.5678 8.2589 117.5429 60.7003 70.5966 175.9213 130 R 3.8437 8.9940 123.3832 59.6784 30.1301 179.1730 131 K 3.9134 8.0667 118.5276 59.6483 32.0202 178.7571 132 S 4.1443 8.0336 115.2404 61.8833 62.8116 176.9075 133 I 3.5075 7.3456 122.2185 63.9164 36.7142 178.2937 134 L 4.0646 7.9774 121.5185 57.9314 41.6500 179.1329 135 K 4.0526 8.1162 117.7646 59.3988 32.2559 178.7068 136 A 4.3297 8.1007 121.2489 55.1337 18.2284 179.7415 137 V 3.7658 8.1513 115.9555 66.3881 31.7466 178.0899 138 N 4.3479 8.5560 116.4246 56.5325 38.9654 176.3874 139 A 4.2527 8.3127 121.5484 54.1293 18.3303 179.1991 140 L 3.2895 7.4349 118.7300 57.4910 42.1784 177.5852 141 L 4.1367 7.4185 116.0400 55.6072 41.8965 176.4434 142 H 4.6446 7.3111 114.7081 54.4921 30.2231 173.0195 143 D 4.1812 8.3768 122.7796 54.8917 41.0199 175.6247 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 S 8.32 4.47 0.00 3.99 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.89 4.78 0.00 3.00 2.96 0.00 0.00 5.84 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.68 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 I 7.44 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.54 0.91 0.00 0.00 3 A 7.70 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.89 3.92 0.00 1.88 1.85 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 5 E 8.31 4.12 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 6 F 8.25 4.51 0.00 3.17 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.11 3.78 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 8 T 8.12 3.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 F 8.40 4.10 0.00 3.32 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.26 3.91 0.00 1.74 1.71 0.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.35 4.11 0.00 1.90 1.63 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.67 4.19 0.00 1.86 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 14 E 6.84 3.10 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 15 E 7.77 4.02 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 16 T 7.51 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 17 F 8.05 4.80 0.00 3.32 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.98 4.28 0.00 1.71 1.65 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 T 9.01 4.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 20 P 0.00 4.74 0.00 2.06 1.93 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 21 A 8.93 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.40 3.82 0.00 1.77 1.93 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 23 N 8.05 4.71 0.00 2.79 2.75 0.00 0.00 7.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.90 5.22 0.00 1.74 1.90 0.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.41 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.09 4.61 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.86 0.00 0.00 27 L 8.47 4.92 0.00 1.51 1.48 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.30 5.49 1.60 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.22 0.84 0.00 0.00 29 D 8.88 4.41 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.48 4.55 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 H 8.03 4.58 0.00 3.22 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.54 4.90 0.00 3.06 2.95 0.00 0.00 6.08 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.77 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.10 4.23 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.10 4.13 0.00 3.27 3.49 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.04 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.74 3.79 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 L 7.54 3.96 0.00 1.61 1.83 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.50 4.16 0.00 1.81 1.65 0.67 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.11 4.18 0.00 1.59 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.78 4.43 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.60 4.55 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 *44 T 7.87 4.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 45 Y 7.42 4.74 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.61 4.32 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 47 R 8.03 5.19 0.00 2.05 1.99 0.00 3.07 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 48 V 8.76 4.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.78 0.00 1.48 1.43 0.00 3.43 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 50 V 8.75 4.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 51 V 8.79 4.71 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.02 0.00 0.00 52 T 8.85 4.23 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 53 D 7.67 4.31 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 K 7.84 4.70 0.00 1.92 1.96 0.00 2.04 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.48 7.81 56 Q 7.66 4.34 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.01 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 57 F 9.60 4.38 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.31 3.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.80 0.00 0.00 59 G 5.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.76 5.18 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 61 I 7.77 5.30 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.06 0.89 0.00 0.00 62 G 8.51 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.82 4.08 0.00 1.73 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.32 4.02 0.00 1.78 2.00 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 65 D 8.22 4.54 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.47 3.76 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.92 0.00 0.00 *68 A 8.09 4.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.07 4.23 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.38 4.22 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.15 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 *72 E 8.11 4.23 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.47 0.00 73 H 7.58 4.58 0.00 2.91 3.10 0.00 6.00 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.88 4.34 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.83 4.77 0.00 1.72 1.55 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.43 4.37 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.54 4.14 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 78 E 7.61 4.10 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 79 I 7.62 3.86 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.20 0.94 0.00 0.00 *81 A 7.98 4.55 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.98 4.90 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.63 4.52 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 84 D 8.70 4.67 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.91 3.81 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.84 0.00 0.00 86 V 7.23 3.56 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.83 0.00 0.00 87 H 7.52 4.21 0.00 3.06 3.30 0.00 5.88 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 T 7.68 3.89 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 90 K 8.62 4.16 0.00 1.79 1.77 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 91 T 8.39 4.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 92 D 7.82 4.76 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.52 4.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.15 0.00 0.00 94 A 8.33 4.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.78 4.64 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.67 0.00 0.00 96 V 8.50 4.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.84 0.00 0.00 97 S 8.44 5.01 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.71 0.00 2.06 2.15 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 99 D 7.26 4.72 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.63 4.45 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.20 4.65 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 102 I 8.24 3.88 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.66 0.98 0.00 0.00 103 T 8.22 3.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 104 E 7.91 3.92 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 105 V 7.71 3.50 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.01 0.00 0.00 106 L 8.08 3.97 0.00 1.67 1.78 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.71 4.37 0.00 3.23 3.58 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.49 4.12 0.00 1.86 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 109 L 7.48 4.54 0.00 1.81 1.64 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.23 3.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 111 D 7.51 4.57 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.16 4.66 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 113 S 8.23 4.48 0.00 3.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.32 5.26 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 9.10 4.78 0.00 1.64 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.69 0.00 1.76 1.73 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 117 V 8.82 4.62 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.78 0.00 0.00 118 V 8.33 4.83 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.86 0.00 0.00 119 D 9.00 4.46 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.56 4.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.02 4.65 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 122 G 8.49 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.41 4.80 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.99 1.04 0.00 0.00 124 F 9.09 4.43 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 9.53 4.29 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 126 G 5.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.15 5.04 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 1.03 0.00 0.00 128 I 8.81 4.80 1.66 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.77 0.68 0.00 0.00 129 T 8.26 4.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 130 R 8.99 3.84 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 131 K 8.07 3.91 0.00 1.84 1.81 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.58 7.81 132 S 8.03 4.14 0.00 3.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.35 3.51 1.67 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.86 0.00 0.00 134 L 7.98 4.06 0.00 1.97 1.69 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.12 4.05 0.00 2.06 1.94 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.73 7.81 136 A 8.10 4.33 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.15 3.77 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.24 0.00 0.00 138 N 8.56 4.35 0.00 3.04 3.02 0.00 0.00 7.20 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.31 4.25 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.43 3.29 0.00 0.88 1.78 0.48 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.42 4.14 0.00 1.90 1.67 0.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 142 H 7.31 4.64 0.00 3.19 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.38 4.18 0.00 2.53 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.