NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5807 8.3193 115.4211 58.9614 63.2472 173.2572 4 T 4.6802 7.6744 107.6106 60.7902 69.2362 174.2656 5 S 4.3557 8.6991 118.5577 61.9566 64.5684 174.7762 6 Y 4.7203 7.5113 121.4307 56.8745 41.7060 172.8968 7 Y 4.2894 7.1633 123.1793 55.1678 40.5953 171.9222 8 P 4.4783 0.0000 0.0000 62.3536 33.5058 174.7979 9 V 4.8087 8.1996 121.1115 61.5093 33.5676 174.6100 10 I 4.4262 8.2825 124.9688 59.9140 40.9634 174.6534 *12 T 4.2948 8.3250 114.6308 62.4364 67.9984 175.5576 13 S 4.4795 8.4950 119.0665 59.6155 63.8986 174.4087 14 D 4.6553 8.2523 121.2803 51.3286 41.6289 175.2403 15 V 3.5474 8.3085 123.2726 65.5256 31.8532 176.9403 16 A 3.9832 7.9805 119.6898 55.1734 18.3176 179.3494 17 A 4.0165 8.3765 119.3607 55.3667 18.2762 180.1243 18 T 3.8207 8.0165 114.1884 66.7517 68.5957 176.7307 19 A 4.0440 8.4303 122.8855 55.1984 18.3712 179.4252 20 A 3.9645 8.2118 119.2335 55.2132 18.4718 179.4225 21 F 4.0129 8.2667 119.0905 62.0045 39.4506 177.1345 22 Y 4.3219 8.0154 116.0845 61.2290 37.3968 178.1326 23 C 4.7756 8.0640 118.4956 62.2241 28.2938 175.8139 24 Q 3.9817 8.3348 119.5526 58.3806 28.3865 177.3177 25 H 4.5584 7.6985 113.8139 55.1065 29.4794 174.8155 26 F 4.6067 7.7432 118.3463 56.5607 40.2505 175.7730 27 G 3.9767 8.1510 107.6127 46.4553 0.0000 173.9991 28 F 4.8600 7.6100 118.4770 56.5085 40.1277 174.9678 29 R 5.0028 8.8143 119.3334 53.6020 33.1380 172.5062 30 P 4.6369 0.0000 0.0000 63.1381 31.5804 175.8131 31 L 4.4107 8.9912 127.0531 57.4709 42.7890 176.3935 32 F 5.1745 7.2145 111.4635 56.2067 41.1248 172.9935 33 E 4.9835 8.5548 115.3556 55.5974 31.7123 173.8274 34 A 4.8210 8.7357 123.1984 49.9585 22.3333 176.8002 35 D 4.5120 8.8535 117.9820 55.2543 39.6137 177.1074 36 W 4.7761 7.8462 115.5732 56.3106 29.4392 174.4243 37 Y 4.7388 7.2597 121.2382 56.6082 42.1058 173.2123 38 V 4.3296 8.1114 126.7973 61.1871 34.8655 173.5110 39 H 4.3097 8.4440 128.8606 54.8144 30.7552 173.6041 40 L 5.0102 8.2047 126.8717 53.3910 43.8717 175.6615 41 Q 5.0444 9.1179 123.3493 54.0583 32.8549 174.1232 42 S 4.1627 8.8070 121.2701 58.3165 62.3330 173.9973 43 A 4.1199 8.4479 130.7375 55.3082 18.3312 178.5673 44 E 4.1166 7.9411 113.4109 57.9432 30.1572 176.0717 45 D 4.6410 8.0782 117.6743 51.2730 41.7074 173.8799 46 P 4.4193 0.0000 0.0000 64.2444 31.5565 177.6188 47 A 4.1239 8.0292 120.1631 53.4239 18.7375 177.1613 48 V 4.3534 7.9710 117.5781 61.5065 32.7949 174.5951 49 N 5.5688 8.7622 124.5141 51.5627 42.6082 173.8817 50 L 4.5494 8.6245 123.5588 53.6764 45.7746 174.4321 51 A 4.7522 8.6532 127.8581 50.1312 22.1344 175.2737 52 I 4.7080 7.8508 120.7594 59.2479 40.5318 174.4613 53 L 5.1282 8.6199 128.9414 52.7250 45.2072 175.2272 54 D 4.6300 9.3270 126.0617 54.7238 41.9482 177.1573 55 G 4.3840 9.1829 115.3697 46.9632 0.0000 173.8027 56 Q 4.5353 8.1209 117.8195 55.6059 29.6118 175.3335 57 H 4.2174 8.2315 119.4592 55.8266 30.4084 176.4827 58 S 4.0811 8.0434 120.0664 61.4625 62.7980 175.8698 59 T 3.9395 7.6162 109.7444 63.5698 68.8427 174.3117 60 I 4.1453 7.4160 123.8995 59.4881 38.1302 173.9631 61 P 4.2065 0.0000 0.0000 62.8349 32.0019 176.8031 62 A 3.9185 8.9874 125.3117 55.5448 18.2421 179.1326 63 A 4.2665 8.0646 115.1464 53.5019 18.5408 177.8634 64 G 4.0109 8.2075 104.0807 45.2938 0.0000 174.8668 65 R 4.2140 7.7764 118.9823 55.5762 31.0621 177.5495 66 G 3.9326 7.2245 106.1283 46.1019 0.0000 170.6660 67 Q 4.7776 8.1223 120.0621 53.5372 31.9886 176.3998 68 V 3.6887 8.3092 124.3566 62.3317 31.7836 175.0922 69 S 4.4571 8.4299 115.8620 57.7672 65.2240 172.8560 70 G 3.9948 8.6520 108.8146 46.5701 0.0000 173.2739 71 L 4.8371 7.7043 119.3545 52.8445 45.7946 174.8270 72 I 5.0232 8.4146 125.4879 59.4996 40.3547 174.6371 73 L 4.4379 9.0233 126.7205 53.2355 43.5056 175.0989 74 N 5.1626 8.4228 121.8471 51.8745 40.0785 174.4692 75 F 4.8957 9.1268 122.8306 55.6053 42.2026 174.2668 76 E 4.9274 8.9860 123.6399 56.0531 30.2677 176.2926 77 V 4.6012 9.1467 116.9322 59.5798 35.9356 176.3052 78 D 4.3967 8.8602 121.2001 56.6408 41.6157 176.0641 79 D 4.8009 7.6728 118.0592 50.5947 41.3836 173.2574 80 P 4.6026 0.0000 0.0000 65.1772 31.6714 178.3405 81 D 4.3369 8.2130 118.6071 57.4248 40.8527 178.3669 82 R 3.9141 8.2053 119.0004 59.5024 29.9517 178.4046 83 E 3.9764 8.1503 118.1760 59.4290 29.4986 178.5044 84 Y 3.1752 8.2688 119.7361 60.3621 38.7813 178.0636 85 A 3.5927 7.8464 121.4367 55.0311 18.4671 179.6141 86 R 3.6718 7.7416 116.9913 59.6052 30.2928 178.8060 87 L 3.8054 7.9508 119.1002 57.5771 41.6145 179.1933 88 Q 3.7506 7.9065 119.9028 59.3470 28.7091 178.5280 89 Q 3.9876 7.5422 116.8398 58.1642 28.8096 177.6264 90 A 4.2187 7.4995 120.1243 52.6042 18.6720 178.1234 91 G 3.8895 7.7372 105.7653 44.8727 0.0000 174.1241 92 L 4.2511 7.3756 119.3640 53.4744 42.2808 175.2978 93 P 4.3272 0.0000 0.0000 62.8130 31.9123 175.4526 94 I 4.6596 8.2925 123.1748 59.9460 37.5111 175.1745 95 L 4.3380 8.8698 127.0909 56.0993 42.3469 177.5138 96 L 4.8397 7.6811 120.4562 53.3108 45.1367 176.2712 97 T 4.3947 8.6454 116.4695 60.8775 70.1587 174.0897 98 L 4.3820 7.8869 122.0075 55.8164 42.0720 177.0863 99 R 4.7222 9.0189 118.9041 54.9895 33.3698 173.8056 100 D 5.1671 8.6609 120.8592 53.7943 41.5579 175.4766 101 E 4.2309 8.9466 124.9536 58.1024 31.1596 177.0299 *105 Q 4.3374 7.7954 117.8537 55.3387 31.1458 174.8253 106 R 5.2973 7.5814 118.2348 54.7632 32.9449 174.0308 107 H 5.5322 9.2102 120.4578 54.9980 32.5944 171.9660 108 F 5.3376 8.8031 113.0102 55.4996 42.0436 173.2357 109 I 4.8396 8.9659 119.6515 60.0926 40.4363 174.8558 110 T 5.3745 8.8771 122.3215 60.3035 70.7738 172.2184 111 A 4.9836 8.5019 120.8142 51.3363 22.0345 175.9694 112 D 3.3700 8.4808 120.9003 51.0748 40.8004 175.7987 113 P 4.1241 0.0000 0.0000 64.7056 31.2775 177.4905 114 N 4.3933 8.0215 114.1828 53.8538 38.8600 175.9857 115 G 3.8383 8.1137 106.7566 44.9164 0.0000 173.5685 116 V 3.7211 8.0428 121.0903 62.7038 32.5052 175.5760 117 L 4.6620 8.6986 128.4123 54.8023 43.2485 176.2856 118 I 4.9734 8.8786 122.9419 59.8075 40.6089 174.0089 119 D 5.0174 9.1818 128.7551 52.7795 43.0368 175.1863 120 I 4.8326 8.2791 128.3654 59.9078 39.0820 174.9285 121 I 5.0212 8.8967 128.5099 59.2222 40.8515 175.9372 122 K 4.8009 9.2829 126.8405 55.8410 32.2077 175.9564 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 3 S 8.32 4.58 0.00 4.03 4.06 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 0.00 0.00 0.00 4 T 7.67 4.68 4.35 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 1.21 0.00 0.00 5 S 8.70 4.36 0.00 4.09 4.13 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 6 Y 7.51 4.72 0.00 2.92 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 7 Y 7.16 4.29 0.00 3.06 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.48 0.00 2.01 2.05 0.00 3.74 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 9 V 8.20 4.81 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 0.95 0.00 0.00 1.07 0.00 0.00 10 I 8.28 4.43 1.82 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 1.10 0.62 0.82 0.00 0.00 *12 T 8.32 4.29 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 1.30 0.00 0.00 13 S 8.49 4.48 0.00 4.03 3.98 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 0.00 0.00 0.00 14 D 8.25 4.66 0.00 2.63 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 15 V 8.31 3.55 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 1.01 0.00 0.00 0.98 0.00 0.00 16 A 7.98 3.98 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 17 A 8.38 4.02 1.46 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 0.00 0.00 18 T 8.02 3.82 4.40 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 1.37 0.00 0.00 19 A 8.43 4.04 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 20 A 8.21 3.96 1.42 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 0.00 0.00 21 F 8.27 4.01 0.00 3.19 3.14 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 22 Y 8.02 4.32 0.00 2.95 2.83 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 23 C 8.06 4.78 0.00 2.99 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 24 Q 8.33 3.98 0.00 1.69 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 25 H 7.70 4.56 0.00 2.29 2.36 0.00 5.59 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 26 F 7.74 4.61 0.00 3.54 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 27 G 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.61 4.86 0.00 3.48 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 29 R 8.81 5.00 0.00 1.82 1.98 0.00 2.77 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 30 P 0.00 4.64 0.00 2.11 2.04 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 31 L 8.99 4.41 0.00 1.56 1.62 0.96 0.67 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 32 F 7.21 5.17 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 33 E 8.55 4.98 0.00 1.99 1.82 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 2.18 2.28 0.00 34 A 8.74 4.82 1.03 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 0.00 0.00 35 D 8.85 4.51 0.00 2.87 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 36 W 7.85 4.78 0.00 3.61 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.26 4.74 0.00 1.64 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 0.00 0.00 0.00 38 V 8.11 4.33 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 0.80 0.00 0.00 0.81 0.00 0.00 39 H 8.44 4.31 0.00 2.20 1.64 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.20 5.01 0.00 1.28 1.48 0.61 0.53 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 41 Q 9.12 5.04 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 42 S 8.81 4.16 0.00 3.38 3.84 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 43 A 8.45 4.12 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 44 E 7.94 4.12 0.00 1.91 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 2.26 2.24 0.00 45 D 8.08 4.64 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.09 2.23 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 47 A 8.03 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.97 4.35 2.18 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 1.23 0.00 0.00 1.04 0.00 0.00 49 N 8.76 5.57 0.00 2.51 2.18 0.00 0.00 6.87 7.85 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 50 L 8.62 4.55 0.00 1.31 0.62 0.68 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.65 4.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.71 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.82 0.00 0.00 53 L 8.62 5.13 0.00 1.66 1.68 1.43 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.33 4.63 0.00 3.04 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 55 G 9.18 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.54 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 57 H 8.23 4.22 0.00 3.46 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.04 4.08 0.00 3.86 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 59 T 7.62 3.94 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 1.02 0.00 0.00 60 I 7.42 4.15 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.98 0.00 0.00 61 P 0.00 4.21 0.00 2.18 2.00 0.00 3.65 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 2.13 2.12 0.00 62 A 8.99 3.92 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 63 A 8.06 4.27 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 64 G 8.21 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.78 4.21 0.00 1.93 1.97 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 66 G 7.22 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 67 Q 8.12 4.78 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 68 V 8.31 3.69 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 0.73 0.00 0.00 0.91 0.00 0.00 69 S 8.43 4.46 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 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 0.00 0.00 0.00 71 L 7.70 4.84 0.00 1.71 1.44 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.41 5.02 1.85 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 1.35 0.79 0.97 0.00 0.00 73 L 9.02 4.44 0.00 1.56 1.18 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.42 5.16 0.00 2.47 2.69 0.00 0.00 6.95 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 75 F 9.13 4.90 0.00 2.93 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 76 E 8.99 4.93 0.00 1.91 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 0.00 2.33 2.37 0.00 77 V 9.15 4.60 2.15 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 0.83 0.00 0.00 1.04 0.00 0.00 78 D 8.86 4.40 0.00 2.64 2.71 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 79 D 7.67 4.80 0.00 2.68 2.49 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 80 P 0.00 4.60 0.00 2.59 2.50 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 81 D 8.21 4.34 0.00 2.92 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 82 R 8.21 3.91 0.00 2.02 2.11 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 83 E 8.15 3.98 0.00 2.49 2.21 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 2.70 2.58 0.00 84 Y 8.27 3.18 0.00 1.50 2.74 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 0.00 0.00 0.00 85 A 7.85 3.59 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 86 R 7.74 3.67 0.00 1.82 1.96 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 87 L 7.95 3.81 0.00 1.72 1.68 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.91 3.75 0.00 1.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 89 Q 7.54 3.99 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 90 A 7.50 4.22 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 91 G 7.74 3.89 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 0.00 0.00 0.00 92 L 7.38 4.25 0.00 1.86 1.75 0.57 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.33 0.00 2.26 2.21 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 94 I 8.29 4.66 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.12 1.16 0.00 0.00 95 L 8.87 4.34 0.00 1.80 1.76 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.68 4.84 0.00 1.73 1.56 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.65 4.39 4.04 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 1.17 0.00 0.00 98 L 7.89 4.38 0.00 1.30 1.60 0.65 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.02 4.72 0.00 1.85 1.96 0.00 2.78 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 100 D 8.66 5.17 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 101 E 8.95 4.23 0.00 1.91 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 0.00 2.33 2.31 0.00 *105 Q 7.80 4.34 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 106 R 7.58 5.30 0.00 1.96 1.78 0.00 3.33 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 107 H 9.21 5.53 0.00 3.48 3.34 0.00 5.28 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.80 5.34 0.00 3.40 3.07 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 0.00 0.00 0.00 0.00 109 I 8.97 4.84 1.92 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 1.14 0.79 0.94 0.00 0.00 110 T 8.88 5.37 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 111 A 8.50 4.98 1.23 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 0.00 0.00 112 D 8.48 3.37 0.00 1.64 2.49 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 0.00 113 P 0.00 4.12 0.00 1.91 2.02 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 114 N 8.02 4.39 0.00 2.82 2.83 0.00 0.00 7.11 7.65 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 0.00 115 G 8.11 3.84 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 0.00 0.00 0.00 116 V 8.04 3.72 2.33 0.00 0.00 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 0.98 0.00 0.00 117 L 8.70 4.66 0.00 1.86 1.58 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.88 4.97 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.90 0.00 0.00 119 D 9.18 5.02 0.00 2.71 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 0.00 120 I 8.28 4.83 1.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 1.02 0.00 0.00 121 I 8.90 5.02 1.91 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 1.12 0.82 0.92 0.00 0.00 122 K 9.28 4.80 0.00 1.85 1.69 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.