NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3829 0.0000 0.0000 62.7413 32.0482 176.0875 6 T 3.7035 8.1524 114.6106 60.3603 70.8724 172.6008 7 I 3.6384 8.6288 124.2436 64.7983 37.3953 179.0712 8 N 4.2305 8.1626 115.5551 57.4097 38.9654 175.8748 9 Q 3.9380 9.3063 119.2151 59.4054 28.8164 179.3898 10 L 3.8840 8.1718 119.1433 58.3018 41.6595 180.0397 11 V 3.6136 7.6429 116.7820 64.1189 31.7603 177.6438 12 R 4.2885 8.8229 118.0634 56.8867 29.0959 178.7844 13 K 4.4783 8.8224 125.1252 59.0097 32.8026 174.8529 14 G 4.4873 7.8844 110.2025 44.3749 0.0000 173.2816 15 R 4.0143 8.3258 119.3560 55.7366 30.7123 175.9673 16 E 4.3450 8.5428 123.5310 54.7076 30.6320 175.3986 17 K 4.2122 8.4249 127.5355 55.5877 32.4726 176.1699 18 V 3.3494 7.6948 119.4007 60.4541 32.0303 171.7634 19 R 3.8864 7.9265 131.0317 55.6849 30.7759 175.9499 20 K 4.6565 8.2992 123.5724 54.6142 35.0989 175.8505 21 K 4.1437 8.3392 120.2464 55.9731 32.7935 178.1436 22 S 4.3326 8.7723 118.6722 58.1795 60.0866 174.6168 23 K 4.0924 7.7222 126.7940 58.3032 32.9222 176.0346 24 V 4.0132 7.6776 118.1963 60.6248 33.2635 173.6350 25 P 4.5764 0.0000 0.0000 61.9544 29.7410 177.3681 26 A 4.3507 7.6644 118.1666 53.0210 18.8112 179.5195 27 L 3.6384 7.0101 121.7033 56.9256 40.9229 173.8887 28 K 4.0659 8.7730 116.3608 61.9167 30.6234 177.5041 29 G 3.6515 8.4489 110.9073 46.4508 0.0000 173.1302 30 A 4.4771 7.4503 124.2456 50.1281 20.6696 176.1095 31 P 4.1292 0.0000 0.0000 65.3635 31.4572 176.3744 32 F 5.0375 7.6744 112.2937 56.1671 43.5108 173.4584 33 R 4.7531 8.9673 119.3533 54.8199 33.0807 174.2462 34 R 4.8486 8.6311 124.9068 54.9123 32.7582 175.0813 35 G 4.2728 8.2318 112.8078 46.1457 0.0000 172.2729 36 V 4.5974 7.4665 122.6544 61.8183 33.3611 175.0556 37 C 4.5890 8.5427 124.8408 60.5462 27.9968 173.4984 38 T 4.1864 9.0847 119.5327 64.0041 67.9400 175.0771 39 V 4.4612 7.5600 119.5019 61.0623 35.5821 174.2210 40 V 4.5526 8.5203 126.1980 61.5259 33.1354 173.6079 41 R 4.8101 8.3986 129.6003 54.7052 33.8464 174.0302 42 T 5.4105 8.2648 112.5209 59.9660 68.7076 173.9811 43 V 4.4794 8.2406 121.5634 59.9345 34.3192 175.3860 44 T 4.6370 8.2427 112.5377 60.5535 70.5779 172.7349 45 P 5.1752 0.0000 0.0000 60.4476 32.8044 176.9218 46 K 4.4531 8.3383 125.8644 55.7955 29.8696 177.0631 47 K 3.6017 8.1925 113.8976 58.3840 32.1780 174.3739 48 P 4.6666 0.0000 0.0000 62.4851 32.1624 174.7796 49 N 4.9330 7.1952 116.3836 52.2719 40.9598 173.5955 50 S 4.5969 7.3510 111.1025 56.8070 65.6025 174.7275 51 A 4.4401 7.6498 125.4886 53.2596 23.0847 177.5960 52 L 4.8637 7.9281 108.0881 53.8848 43.6790 174.9257 53 R 4.2364 9.1419 121.9664 55.7492 31.8067 176.0060 54 K 4.3929 8.8759 123.6764 56.6794 33.1748 176.2434 55 V 4.9293 8.9943 124.0454 61.3349 36.1886 173.7869 56 A 5.0859 8.8552 124.2862 50.2796 22.8390 175.5553 57 K 4.5917 8.9593 123.1666 56.1656 33.4529 176.1868 58 V 4.5517 9.2412 127.2565 61.2183 33.6595 174.9202 59 R 4.6067 9.2210 129.5250 55.1317 30.0428 176.0369 60 L 4.5113 8.0348 127.4034 54.3618 42.3683 177.6998 61 T 4.0551 7.9082 108.0862 64.6410 68.9590 174.9131 62 S 4.6891 8.0868 118.5692 59.1358 63.3918 174.7641 63 G 3.9735 8.3922 105.6393 46.6480 0.0000 173.6592 64 Y 4.2816 8.2815 117.3598 57.7726 39.6100 174.4263 65 E 4.9114 8.6437 120.8829 55.0277 32.4349 174.7063 66 V 4.7496 8.6136 119.7498 59.5488 36.2841 174.8423 67 T 4.8528 8.5360 113.1763 61.2964 70.6124 173.3167 68 A 5.2102 9.5042 126.9392 50.3245 22.6727 174.9987 69 Y 4.7672 8.9061 122.9885 57.5235 40.7640 174.7563 70 I 4.4323 5.6688 121.5551 58.3832 39.5100 173.6331 71 P 4.0622 0.0000 0.0000 62.4357 31.6242 176.7708 72 G 4.1138 8.7375 109.7205 45.4673 0.0000 172.4662 73 E 4.1969 8.6542 117.7895 56.0106 30.0868 173.3057 74 G 4.1104 8.9268 120.3466 45.4287 0.0000 171.8164 75 H 5.0770 8.1581 122.0043 55.3211 29.3489 173.9565 76 N 4.4506 8.1593 109.1239 52.2836 37.8028 174.2251 77 L 4.5530 7.8199 118.9165 54.2534 43.6225 175.9584 78 Q 4.6894 8.6974 122.0715 53.3999 32.1017 175.7145 79 E 3.9821 8.7487 118.7503 59.5690 29.4191 176.9091 80 H 5.1116 7.7177 113.7343 56.0375 31.1306 173.1562 81 S 4.4636 8.4144 116.2403 57.6891 63.6184 174.2292 82 V 4.0665 8.5882 125.5089 63.2697 32.5262 174.8279 83 V 4.6559 8.8259 126.1014 61.3586 35.8869 173.0316 84 L 5.1713 8.4888 127.3095 53.4213 44.4741 174.9559 85 I 4.5477 9.4950 129.1497 61.2111 38.1012 176.4021 86 R 4.4096 10.6400 128.5153 59.4217 30.4138 177.5339 87 G 3.9158 9.9582 112.7762 46.5106 0.0000 172.2289 88 G 3.8629 7.7532 110.7223 44.0198 0.0000 172.6030 89 R 4.1136 8.4349 121.8117 56.1115 30.3558 176.2491 90 V 4.0919 7.8230 116.7757 61.2744 32.5755 176.6783 91 K 4.2292 8.3999 135.0000 55.2311 31.1354 175.7639 92 D 4.4712 7.2404 118.9192 54.2691 45.1457 174.5191 93 L 4.6962 7.7819 119.9393 51.7101 41.2903 170.9227 94 P 4.3458 0.0000 0.0000 66.1986 31.3349 174.5682 95 G 3.8100 8.9975 115.4751 45.8704 0.0000 173.5718 96 V 4.0891 7.8062 120.9041 62.2140 31.2119 175.5956 97 R 4.6153 8.6608 122.6186 55.7402 33.1719 174.0653 98 Y 5.0202 7.8737 116.5099 56.7461 42.3947 173.7408 99 H 5.1217 9.0845 119.7426 54.4216 31.6022 174.0166 100 I 4.3335 8.5463 123.5887 60.6188 37.8784 175.9552 101 V 3.7224 8.7271 128.6765 62.6821 31.6603 175.7500 102 R 4.0590 8.4882 127.8018 57.0441 30.7300 177.1133 103 G 3.9979 8.7550 110.3243 45.0790 0.0000 172.9577 104 V 3.9840 6.8477 117.6215 61.5995 33.6487 176.4402 105 Y 3.8183 8.2401 124.4151 57.8613 36.4654 170.7731 106 D 4.2201 8.0044 122.7708 56.3550 41.1808 176.3286 107 A 4.6399 9.4589 123.8571 50.0304 19.7843 177.3466 108 A 4.2496 8.9353 126.8385 52.3507 19.8160 176.5747 109 G 4.5871 8.0912 107.5819 45.7645 0.0000 173.7673 110 V 4.3320 8.1389 124.8934 60.9578 32.4977 177.3531 111 K 3.9984 8.6535 129.8274 57.7358 33.1799 177.0481 112 D 4.4468 8.9197 122.8707 54.7601 38.9905 174.2376 113 R 4.2269 7.5248 118.8499 56.3405 30.7048 175.7329 114 K 4.7518 8.1152 117.3612 57.3589 38.7581 178.7156 115 K 4.5885 7.4529 120.7920 55.0524 31.1009 179.8486 116 S 4.1996 8.7395 126.2160 59.7883 62.7804 173.8564 117 R 4.7077 8.3716 121.8317 54.3340 31.7416 176.9176 118 S 4.0671 7.7267 112.9755 60.9926 62.5634 173.5466 119 K 4.0537 7.8154 118.1312 58.5959 32.4544 177.5940 120 Y 3.6115 8.3916 119.4301 58.0098 35.8756 170.2987 121 G 3.9347 7.7203 103.3600 46.0258 0.0000 171.6030 122 T 4.8425 8.2520 118.4662 61.5250 71.9120 174.7764 123 K 4.0762 8.5965 125.9727 55.7708 32.7703 176.7820 124 K 3.9236 8.5705 123.8731 56.2039 32.4609 174.6684 125 P 4.7400 0.0000 0.0000 61.0691 33.1895 175.1109 126 K 4.2922 8.1854 120.1000 56.1354 33.1460 176.5128 127 E 4.0667 8.7622 121.8498 57.4208 30.0858 174.9281 128 A 3.3542 7.6915 123.8344 51.9742 15.0223 177.0260 *129 A 4.1172 8.0868 122.3787 52.3044 18.9464 177.0248 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 5 P 0.00 4.38 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.15 3.70 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 1.21 0.00 0.00 7 I 8.63 3.64 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 1.52 0.81 0.91 0.00 0.00 8 N 8.16 4.23 0.00 2.71 2.86 0.00 0.00 6.94 7.08 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 9 Q 9.31 3.94 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.42 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 10 L 8.17 3.88 0.00 1.89 1.76 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.64 3.61 2.27 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 0.83 0.00 0.00 0.95 0.00 0.00 12 R 8.82 4.29 0.00 1.92 1.29 0.00 3.25 0.00 0.00 3.22 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 13 K 8.82 4.48 0.00 1.74 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 14 G 7.88 4.49 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 0.00 15 R 8.33 4.01 0.00 1.81 1.88 0.00 3.36 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.54 4.35 0.00 1.92 1.84 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 2.24 2.28 0.00 17 K 8.42 4.21 0.00 1.75 1.68 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 18 V 7.69 3.35 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.93 3.89 0.00 1.94 1.97 0.00 3.20 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.30 4.66 0.00 1.86 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 21 K 8.34 4.14 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 S 8.77 4.33 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 4.09 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.44 7.81 24 V 7.68 4.01 1.93 0.00 0.00 0.00 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 0.56 0.00 0.00 25 P 0.00 4.58 0.00 2.21 2.23 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 26 A 7.66 4.35 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.01 3.64 0.00 1.81 1.76 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.77 4.07 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 29 G 8.45 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.45 4.48 1.39 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 0.00 0.00 31 P 0.00 4.13 0.00 2.24 2.13 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 32 F 7.67 5.04 0.00 2.90 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.97 4.75 0.00 1.91 1.70 0.00 3.31 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 34 R 8.63 4.85 0.00 2.07 1.79 0.00 2.71 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 35 G 8.23 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 0.00 0.00 0.00 0.00 36 V 7.47 4.60 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 0.99 0.00 0.00 0.91 0.00 0.00 37 C 8.54 4.59 0.00 3.04 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 38 T 9.08 4.19 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 1.28 0.00 0.00 39 V 7.56 4.46 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 0.93 0.00 0.00 0.92 0.00 0.00 40 V 8.52 4.55 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 0.94 0.00 0.00 0.93 0.00 0.00 41 R 8.40 4.81 0.00 1.90 1.79 0.00 3.11 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 42 T 8.26 5.41 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 43 V 8.24 4.48 2.10 0.00 0.00 0.00 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 0.97 0.00 0.00 44 T 8.24 4.64 4.25 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 1.27 0.00 0.00 45 P 0.00 5.18 0.00 1.95 2.13 0.00 3.72 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 46 K 8.34 4.45 0.00 1.84 1.29 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 47 K 8.19 3.60 0.00 1.74 1.71 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 48 P 0.00 4.67 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 49 N 7.20 4.93 0.00 2.63 2.78 0.00 0.00 6.62 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 50 S 7.35 4.60 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.65 4.44 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 52 L 7.93 4.86 0.00 1.51 1.59 0.94 0.87 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 53 R 9.14 4.24 0.00 2.02 2.10 0.00 3.22 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.00 54 K 8.88 4.39 0.00 1.58 1.57 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 55 V 8.99 4.93 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 1.13 0.00 0.00 1.11 0.00 0.00 56 A 8.86 5.09 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 57 K 8.96 4.59 0.00 1.76 1.77 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 58 V 9.24 4.55 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 0.96 0.00 0.00 1.00 0.00 0.00 59 R 9.22 4.61 0.00 1.92 1.96 0.00 3.20 0.00 0.00 3.42 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 L 8.03 4.51 0.00 1.72 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.91 4.06 4.25 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 1.30 0.00 0.00 62 S 8.09 4.69 0.00 4.22 4.14 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 0.00 0.00 0.00 0.00 63 G 8.39 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 0.00 0.00 0.00 64 Y 8.28 4.28 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.64 4.91 0.00 1.92 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 2.19 2.33 0.00 66 V 8.61 4.75 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 0.36 0.00 0.00 0.66 0.00 0.00 67 T 8.54 4.85 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 68 A 9.50 5.21 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.77 0.00 2.90 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 70 I 5.67 4.43 1.55 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 1.12 0.71 0.83 0.00 0.00 71 P 0.00 4.06 0.00 1.58 1.43 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 72 G 8.74 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.65 4.20 0.00 1.98 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 2.31 2.33 0.00 74 G 8.93 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.16 5.08 0.00 3.18 3.08 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.16 4.45 0.00 2.77 2.86 0.00 0.00 5.77 7.79 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 77 L 7.82 4.55 0.00 1.54 1.59 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.70 4.69 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 79 E 8.75 3.98 0.00 1.90 1.96 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 2.11 2.37 0.00 80 H 7.72 5.11 0.00 2.98 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.41 4.46 0.00 3.79 3.80 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 82 V 8.59 4.07 2.05 0.00 0.00 0.00 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 83 V 8.83 4.66 2.27 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 0.99 0.00 0.00 1.00 0.00 0.00 84 L 8.49 5.17 0.00 1.49 1.24 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.49 4.55 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.42 1.01 0.00 0.00 86 R 10.64 4.41 0.00 2.15 2.26 0.00 3.28 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 87 G 9.96 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.75 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 89 R 8.43 4.11 0.00 1.86 1.89 0.00 2.95 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 90 V 7.82 4.09 1.94 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 0.73 0.00 0.00 0.71 0.00 0.00 91 K 8.40 4.23 0.00 1.70 1.74 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 92 D 7.24 4.47 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.70 0.00 1.56 1.52 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.35 0.00 2.03 2.08 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 95 G 9.00 3.81 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 0.00 0.00 0.00 96 V 7.81 4.09 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 1.26 0.00 0.00 1.00 0.00 0.00 97 R 8.66 4.62 0.00 1.45 1.41 0.00 3.05 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.86 0.00 98 Y 7.87 5.02 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.08 5.12 0.00 3.21 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.55 4.33 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 1.14 0.64 0.89 0.00 0.00 101 V 8.73 3.72 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 0.48 0.00 0.00 0.87 0.00 0.00 102 R 8.49 4.06 0.00 1.79 1.87 0.00 3.32 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 103 G 8.75 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 0.00 0.00 0.00 104 V 6.85 3.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.61 0.00 0.00 105 Y 8.24 3.82 0.00 3.38 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 0.00 106 D 8.00 4.22 0.00 2.88 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 0.00 107 A 9.46 4.64 1.30 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 0.00 0.00 0.00 108 A 8.94 4.25 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 0.00 109 G 8.09 4.59 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 0.00 0.00 0.00 110 V 8.14 4.33 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 0.82 0.00 0.00 1.11 0.00 0.00 111 K 8.65 4.00 0.00 1.89 1.67 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.48 7.81 112 D 8.92 4.45 0.00 2.87 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 0.00 113 R 7.52 4.23 0.00 1.75 1.98 0.00 3.12 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 114 K 8.12 4.75 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 115 K 7.45 4.59 0.00 1.64 1.03 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.32 7.81 116 S 8.74 4.20 0.00 4.00 3.90 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 0.00 117 R 8.37 4.71 0.00 1.85 2.14 0.00 3.40 0.00 0.00 3.47 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 118 S 7.73 4.07 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.05 0.00 2.33 1.79 0.00 1.90 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.59 7.81 120 Y 8.39 3.61 0.00 3.07 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 0.00 121 G 7.72 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.84 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 1.26 0.00 0.00 123 K 8.60 4.08 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.57 3.92 0.00 1.69 1.73 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.74 0.00 2.20 2.01 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 126 K 8.19 4.29 0.00 1.71 1.74 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.62 7.81 127 E 8.76 4.07 0.00 1.99 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 0.00 2.26 2.23 0.00 128 A 7.69 3.35 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 *129 A 8.09 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.