NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7120 8.2085 109.7090 45.4711 0.0000 173.7355 *20 A 4.2478 8.2488 119.9360 52.3358 20.1457 178.5372 21 D 4.4839 8.0059 113.4879 56.4947 41.0085 176.6122 22 D 4.6078 7.9020 118.0428 54.0401 41.3372 176.3880 23 D 4.3938 7.6191 120.1014 54.5444 41.5066 176.0617 24 K 4.5358 8.4804 123.6702 53.6106 35.0320 173.3234 25 P 4.8460 0.0000 0.0000 62.9985 31.9450 175.6235 26 I 4.7918 8.4414 114.9256 59.2744 41.0774 174.6390 27 Q 4.3221 9.2009 120.1627 54.9837 29.4356 177.6783 28 V 3.5326 8.4216 120.5254 66.3502 31.5309 177.4872 29 T 4.2227 7.7030 107.0442 62.9683 69.3548 174.5332 30 Q 4.1879 7.6884 124.4395 54.4544 27.8701 174.2584 *32 P 4.0243 0.0000 0.0000 62.0267 34.4024 177.4302 33 Q 3.9405 8.3331 121.0252 59.2324 29.0491 178.6787 34 L 3.9832 7.8520 119.5411 57.6018 41.6716 179.1871 35 A 3.3890 7.5539 120.2564 54.8778 18.0306 179.4012 36 Q 3.9532 7.8422 116.5828 59.3672 28.6903 179.3224 37 Q 4.1403 8.4084 119.2130 58.7746 28.7192 178.4892 38 F 4.2886 8.4156 121.7898 61.4167 39.4177 177.2206 39 I 4.1814 8.2802 119.4761 64.6439 36.7553 178.6314 40 K 4.0292 7.9456 118.0323 59.3144 31.9130 179.0097 41 Q 3.9638 8.2533 119.3042 58.9936 29.1621 177.1366 42 H 4.5514 7.9273 113.3090 55.1066 30.5207 174.5446 43 F 4.6534 8.2848 120.7757 56.7508 39.9322 177.3664 44 S 4.1262 8.4796 119.8381 61.5391 62.8970 175.0267 45 D 4.7007 7.8925 117.1189 52.9397 40.1365 180.2489 46 S 4.8313 7.6552 114.6255 57.5935 65.3227 173.2525 47 K 4.6630 8.2204 122.1579 54.3713 34.3317 175.0978 48 V 4.0665 8.5591 125.9176 63.1384 31.3796 175.2674 49 A 4.3923 8.9405 130.8575 54.2360 19.8115 177.3983 50 L 4.4769 7.4743 114.7103 53.9801 45.7797 173.8237 51 A 5.3624 8.6101 127.1379 49.5897 22.0962 173.9322 52 K 4.7773 8.9798 123.5945 55.6210 37.7263 175.7070 *54 E 4.3190 8.8596 118.7609 56.0282 30.8513 174.7728 55 S 3.9401 7.9845 118.5948 57.5346 66.0450 173.2623 56 D 4.1713 7.4166 118.8556 53.3785 43.4782 175.2044 57 F 4.4679 8.5542 115.3008 60.3365 38.9580 176.0399 58 L 4.8764 7.9634 116.9532 54.1143 42.7303 175.0632 59 Y 4.9144 7.5171 115.1775 55.7656 40.9416 173.3012 60 K 4.9060 8.3980 121.1343 54.8899 35.3013 175.0287 61 S 4.8474 9.0016 120.9492 57.3406 67.0423 172.4231 62 Y 4.9970 9.0963 116.6397 56.2628 41.2265 174.9435 63 E 5.4113 9.4243 123.1566 54.4245 33.5780 175.2423 64 V 4.7018 8.7642 122.7080 59.9540 34.3229 174.2942 65 I 4.6407 8.5846 126.3368 59.4792 39.6053 175.3848 66 F 5.2736 9.0122 125.7712 56.1641 40.8769 177.2063 67 T 3.9560 9.2002 111.1071 63.9761 68.6319 174.9686 68 N 4.5735 8.2791 118.3647 52.7790 37.7328 175.8961 69 G 3.8650 8.3160 108.5035 45.3222 0.0000 173.8662 70 N 4.9675 8.4675 117.3468 53.3806 40.1833 174.0313 71 K 5.0092 9.1579 121.1976 54.9938 36.4052 174.9899 72 V 4.7582 8.5611 125.2084 60.9528 34.9603 173.6479 73 E 5.1434 8.9605 128.0573 54.4278 32.5456 174.5122 74 F 5.5495 9.3132 124.5171 55.5582 43.3097 175.0704 75 D 5.1149 9.1286 122.2611 52.3027 40.4565 177.2807 76 K 4.2050 8.6316 117.5497 59.4130 32.4337 177.7204 77 K 4.2142 8.3738 117.0372 56.3379 32.4979 177.2449 78 G 3.7893 8.5389 107.7158 45.3501 0.0000 173.0025 79 N 4.7555 8.6554 118.5636 51.3418 39.3551 175.0254 80 W 4.4949 8.7181 120.5329 56.9085 28.8252 175.4587 81 E 4.5148 9.4278 118.7870 56.3345 32.4911 175.4708 82 E 5.1749 8.1570 120.3111 54.7655 33.5462 173.8373 83 V 4.5456 9.3402 127.4860 61.4258 34.1091 173.8562 84 D 5.1020 9.4537 130.2353 52.2949 42.4744 176.5443 85 C 5.2580 8.6742 129.7937 58.8248 28.5959 176.4750 86 K 4.1062 8.1523 119.2547 59.3826 32.5366 177.6302 87 H 4.7802 8.2688 115.9863 56.7114 30.8962 175.1925 88 T 4.7420 8.0711 106.0948 61.3147 67.7543 176.2765 89 S 4.6954 8.7477 109.0049 56.8710 66.1331 174.7494 90 V 3.7816 8.5228 122.0194 62.0022 32.0254 174.0792 91 P 4.0581 0.0000 0.0000 62.9746 31.7347 177.6728 92 V 3.4668 8.5714 123.6996 65.6862 31.8356 177.7144 93 A 3.9946 7.8763 121.6455 55.0638 18.2988 178.5857 94 I 3.8170 7.3160 115.8844 63.7391 37.3340 176.5431 95 I 4.0522 7.4130 121.9514 59.5775 37.6167 174.6485 96 P 4.1077 0.0000 0.0000 62.5537 32.8589 177.1034 97 A 3.8044 8.3465 123.0453 55.4369 18.2990 180.0852 98 A 3.8025 7.1859 118.4889 55.0485 18.3488 179.8241 99 I 3.2033 6.8780 118.0885 64.2073 37.1416 178.1102 100 Q 3.8913 8.0314 120.6158 58.9519 28.8448 178.3470 101 K 3.8998 8.2026 120.8678 59.4996 32.2900 178.1277 102 Y 3.9004 8.0495 119.8841 60.6744 38.6594 178.4079 103 V 3.9146 8.3010 119.5589 66.4242 31.5585 178.1581 104 T 3.9494 8.0236 107.9491 64.4533 68.6753 176.6474 105 T 3.9506 7.7085 118.4160 66.4882 68.7462 175.9216 106 N 4.3856 7.7309 115.3694 53.3707 40.6813 175.0133 107 Y 4.8213 8.0083 117.8633 55.8399 38.4190 174.5756 108 P 4.3719 0.0000 0.0000 64.9945 32.0857 177.5559 109 D 4.6762 8.1031 116.7295 53.9942 41.4256 175.6762 110 A 4.7234 7.8704 122.6772 50.4937 20.9331 176.6437 111 K 4.6384 8.4733 120.3408 54.5903 35.5744 175.9428 112 V 4.1186 8.1485 122.3130 62.7129 31.8841 176.3016 113 L 4.3284 9.0875 129.1930 56.3193 43.2389 176.7322 114 K 5.1364 7.7847 118.3357 54.9670 36.1190 174.6359 115 I 5.2773 8.8785 125.0788 59.5436 41.7356 173.7367 116 E 5.6797 9.5749 127.0893 55.0400 34.0189 174.6247 117 R 4.9751 8.7438 117.2296 55.5019 32.6852 174.5781 118 D 4.3823 7.9976 118.6097 52.7177 41.5220 175.2714 119 K 4.1658 8.5617 117.8569 57.8052 32.2771 177.4546 120 K 4.4420 8.5296 117.1097 56.7764 34.5762 175.4520 121 D 4.8804 7.7778 116.9433 52.4393 43.1344 173.5921 122 Y 5.3083 9.3098 116.8208 56.5354 40.9463 174.8264 123 E 5.2819 9.1904 121.7765 54.8399 32.6924 175.2530 124 V 4.8918 9.0907 122.8922 61.0856 35.1896 173.7780 125 K 4.9726 9.0693 129.1220 54.7799 34.3791 175.1585 126 L 5.2237 8.6658 127.5310 52.8490 44.1623 177.8657 127 S 4.1432 8.9318 115.6776 60.6132 63.0109 174.8322 128 N 4.6035 8.0248 117.0937 52.7158 37.4006 175.9917 129 R 4.1380 8.0828 117.8432 56.3988 29.2000 176.6297 130 T 4.2440 7.9432 115.5578 63.6801 69.7591 173.0592 131 E 5.1365 9.1897 124.6260 54.5478 32.8612 174.9775 132 L 5.1649 9.1042 124.0046 52.8099 45.4197 175.6160 133 K 5.2411 8.5043 120.8338 54.7137 35.9569 175.2780 134 F 5.3938 9.3676 121.8584 55.5870 43.4628 174.9722 135 D 4.8549 9.0751 122.3111 52.6450 40.3838 176.9201 136 L 4.1231 8.2524 117.6375 56.4554 41.6475 178.0351 137 K 3.8642 7.8739 116.9651 55.6367 32.1326 176.4000 138 F 4.1258 7.7850 116.2510 58.4644 36.7929 174.5923 139 N 4.7451 8.7223 119.3047 52.2122 39.1181 174.7262 140 L 3.8934 8.5328 125.3406 55.2359 42.5057 176.2360 141 I 4.5471 8.0430 117.6986 60.2574 39.1248 174.7525 142 D 4.5016 7.2586 119.9886 53.5946 44.4843 173.9110 143 I 5.0024 8.4335 125.3951 59.5748 40.3578 174.3955 144 D 4.9366 9.2092 126.5740 52.4869 44.0983 176.1499 145 N 4.5488 8.7891 119.5636 53.3861 38.9391 174.6415 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 0 G 8.21 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 0.00 0.00 0.00 *20 A 8.25 4.25 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 21 D 8.01 4.48 0.00 2.63 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 22 D 7.90 4.61 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.62 4.39 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.54 0.00 1.82 1.59 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 0.97 7.81 25 P 0.00 4.85 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 26 I 8.44 4.79 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 1.03 0.00 0.00 27 Q 9.20 4.32 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 28 V 8.42 3.53 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 0.81 0.00 0.00 0.93 0.00 0.00 29 T 7.70 4.22 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 1.20 0.00 0.00 30 Q 7.69 4.19 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 *32 P 0.00 4.02 0.00 1.93 1.86 0.00 2.76 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 33 Q 8.33 3.94 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.75 0.00 34 L 7.85 3.98 0.00 1.70 1.84 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.55 3.39 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.84 3.95 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 37 Q 8.41 4.14 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 38 F 8.42 4.29 0.00 3.53 3.52 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 39 I 8.28 4.18 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.08 1.21 0.00 0.00 40 K 7.95 4.03 0.00 1.79 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 41 Q 8.25 3.96 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 42 H 7.93 4.55 0.00 2.59 2.50 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.28 4.65 0.00 3.17 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.48 4.13 0.00 3.95 4.17 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 45 D 7.89 4.70 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.83 0.00 3.50 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.22 4.66 0.00 1.90 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 0.94 7.81 48 V 8.56 4.07 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 0.76 0.00 0.00 1.01 0.00 0.00 49 A 8.94 4.39 1.31 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 0.00 0.00 0.00 50 L 7.47 4.48 0.00 1.72 1.42 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.61 5.36 1.21 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 0.00 0.00 0.00 52 K 8.98 4.78 0.00 1.87 1.60 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.22 7.81 *54 E 8.86 4.32 0.00 2.08 1.89 0.00 0.00 0.00 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 2.34 0.00 55 S 7.98 3.94 0.00 3.70 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.42 4.17 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 57 F 8.55 4.47 0.00 3.13 3.03 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 0.00 0.00 0.00 0.00 58 L 7.96 4.88 0.00 1.72 1.71 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.52 4.91 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.91 0.00 1.84 1.58 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 0.99 7.81 61 S 9.00 4.85 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.10 5.00 0.00 3.08 2.95 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 63 E 9.42 5.41 0.00 1.89 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 0.00 2.23 2.25 0.00 64 V 8.76 4.70 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 0.66 0.00 0.00 0.61 0.00 0.00 65 I 8.58 4.64 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.96 0.00 0.00 66 F 9.01 5.27 0.00 3.10 2.99 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 67 T 9.20 3.96 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 1.33 0.00 0.00 68 N 8.28 4.57 0.00 2.85 2.99 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.32 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.47 4.97 0.00 3.01 2.99 0.00 0.00 6.25 7.30 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 71 K 9.16 5.01 0.00 1.76 1.57 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.38 7.81 72 V 8.56 4.76 1.87 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 0.10 0.00 0.00 0.84 0.00 0.00 73 E 8.96 5.14 0.00 2.01 1.70 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 2.23 2.49 0.00 74 F 9.31 5.55 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 5.11 0.00 2.93 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.63 4.21 0.00 1.98 2.06 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.53 7.81 77 K 8.37 4.21 0.00 2.07 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 78 G 8.54 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 79 N 8.66 4.76 0.00 3.11 2.63 0.00 0.00 6.76 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.72 4.49 0.00 3.00 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 0.00 0.00 0.00 0.00 81 E 9.43 4.51 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 82 E 8.16 5.17 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 83 V 9.34 4.55 1.92 0.00 0.00 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 0.61 0.00 0.00 84 D 9.45 5.10 0.00 2.86 2.57 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 0.00 0.00 0.00 0.00 85 C 8.67 5.26 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.15 4.11 0.00 1.84 2.02 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.10 7.81 87 H 8.27 4.78 0.00 3.36 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.07 4.74 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 1.23 0.00 0.00 89 S 8.75 4.70 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.52 3.78 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 0.64 0.00 0.00 0.97 0.00 0.00 91 P 0.00 4.06 0.00 1.72 1.65 0.00 3.48 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.59 0.00 92 V 8.57 3.47 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.87 0.00 0.00 93 A 7.88 3.99 1.26 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 0.00 0.00 0.00 94 I 7.32 3.82 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.01 0.27 0.00 0.00 95 I 7.41 4.05 1.88 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 1.24 0.39 0.80 0.00 0.00 96 P 0.00 4.11 0.00 1.38 1.38 0.00 3.39 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.12 0.00 97 A 8.35 3.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.19 3.80 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 6.88 3.20 1.57 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.07 0.59 0.00 0.00 100 Q 8.03 3.89 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 101 K 8.20 3.90 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 102 Y 8.05 3.90 0.00 3.42 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 0.00 103 V 8.30 3.91 2.17 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 1.19 0.00 0.00 1.17 0.00 0.00 104 T 8.02 3.95 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 1.23 0.00 0.00 105 T 7.71 3.95 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 1.07 0.00 0.00 106 N 7.73 4.39 0.00 2.25 2.09 0.00 0.00 6.90 6.75 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 0.00 107 Y 8.01 4.82 0.00 3.06 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 0.00 108 P 0.00 4.37 0.00 2.16 2.27 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 109 D 8.10 4.68 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.87 4.72 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 0.00 111 K 8.47 4.64 0.00 1.67 1.70 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.50 7.81 112 V 8.15 4.12 2.07 0.00 0.00 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 0.00 0.00 0.95 0.00 0.00 113 L 9.09 4.33 0.00 1.63 1.69 0.91 0.69 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 0.00 114 K 7.78 5.14 0.00 1.81 1.61 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.67 7.81 115 I 8.88 5.28 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.78 0.00 0.00 116 E 9.57 5.68 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 117 R 8.74 4.98 0.00 1.06 1.56 0.00 2.43 0.00 0.00 2.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.02 0.00 118 D 8.00 4.38 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.56 4.17 0.00 1.67 1.82 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 120 K 8.53 4.44 0.00 1.73 1.80 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.35 7.81 121 D 7.78 4.88 0.00 2.98 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 0.00 122 Y 9.31 5.31 0.00 3.23 3.12 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 0.00 0.00 0.00 0.00 123 E 9.19 5.28 0.00 2.00 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 2.28 2.27 0.00 124 V 9.09 4.89 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 1.07 0.00 0.00 1.12 0.00 0.00 125 K 9.07 4.97 0.00 1.92 1.64 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 126 L 8.67 5.22 0.00 1.66 1.47 0.39 0.73 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 0.00 127 S 8.93 4.14 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.02 4.60 0.00 2.88 2.98 0.00 0.00 6.24 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 0.00 129 R 8.08 4.14 0.00 1.98 2.25 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 130 T 7.94 4.24 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 1.06 0.00 0.00 131 E 9.19 5.14 0.00 1.84 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 2.20 2.37 0.00 132 L 9.10 5.16 0.00 1.66 1.21 1.25 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.50 5.24 0.00 1.57 1.63 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 134 F 9.37 5.39 0.00 3.17 3.04 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 0.00 0.00 0.00 0.00 135 D 9.08 4.85 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.25 4.12 0.00 1.55 1.63 0.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.87 3.86 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.32 7.81 138 F 7.78 4.13 0.00 3.25 3.02 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 0.00 139 N 8.72 4.75 0.00 3.06 2.77 0.00 0.00 6.68 6.74 0.00 0.00 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 8.53 3.89 0.00 1.21 1.43 0.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.04 4.55 1.83 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 1.10 0.78 0.89 0.00 0.00 142 D 7.26 4.50 0.00 2.62 2.39 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 0.00 143 I 8.43 5.00 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 1.00 0.00 0.00 144 D 9.21 4.94 0.00 2.51 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 0.00 145 N 8.79 4.55 0.00 2.71 2.72 0.00 0.00 6.95 7.56 0.00 0.00 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.