NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4095 8.3344 116.7991 56.3718 63.4348 172.2932 3 N 4.0738 7.7048 122.8314 52.6176 41.5088 172.5420 4 T 4.1380 9.1811 119.7688 64.2467 69.8649 173.7310 5 L 4.9871 8.0670 120.0463 53.8804 44.0321 176.3349 6 F 4.8062 7.7810 119.0896 58.1840 42.6301 171.9321 7 D 4.5284 7.1603 121.3233 53.3937 44.0393 173.7908 8 D 4.4764 8.6449 123.9092 53.2877 45.6799 173.7913 9 I 4.5430 8.3479 124.9489 60.3100 38.7296 174.8705 10 F 5.3540 8.9803 125.6117 55.6512 42.1188 174.4251 11 Q 4.7222 9.2896 124.0700 54.3120 30.7826 174.8544 12 V 4.2091 8.8605 128.6720 63.4244 31.8448 176.1696 13 S 4.7198 9.3305 123.7235 58.6465 64.5613 174.0450 14 E 4.8004 7.8893 120.7652 55.1811 32.8419 173.7557 15 V 4.6539 8.4722 126.2852 60.1957 34.0677 175.3895 16 D 4.7016 8.3621 122.6318 51.4633 41.9259 172.0838 17 P 4.7545 0.0000 0.0000 62.4366 28.7780 177.0410 18 G 3.7081 8.2615 115.8262 46.8303 0.0000 171.0735 19 R 3.6131 8.0038 127.9480 56.9668 27.9623 175.1247 20 Y 5.1924 7.2936 111.8180 57.2276 42.6206 174.9214 21 N 4.8769 8.9743 117.5433 54.3271 41.1026 175.8151 22 K 4.5713 7.9282 114.4320 56.0708 33.4925 176.1651 23 V 4.6556 7.4519 118.9555 61.5503 34.7757 173.7582 24 C 5.0400 8.8253 122.4717 58.0212 32.8333 172.6531 25 R 5.1300 8.1805 120.8968 54.0281 31.8606 174.5261 26 I 4.7109 9.2731 127.8049 59.1334 40.8788 173.5579 27 E 4.9162 8.9504 130.1539 54.5831 31.3813 174.3331 28 A 5.3626 9.1662 128.2244 50.3687 23.3624 174.3567 29 A 5.2418 8.8942 120.7782 49.8438 22.9028 175.8519 30 S 3.9911 8.2889 115.6543 58.6087 63.1882 173.8520 31 T 3.8638 8.0837 122.6361 65.2082 69.0381 173.3081 32 T 3.3010 9.0970 126.3626 63.5805 65.9544 172.0260 33 Q 4.0420 8.1205 127.8192 57.0543 28.9166 176.7905 34 D 4.7874 8.7078 122.2684 54.7592 40.7989 176.8812 35 Q 4.6991 7.6300 116.2427 55.7332 28.6598 174.7422 36 C 5.2058 8.1323 117.7868 57.5658 34.7742 172.5338 37 K 5.1050 8.6076 123.2127 55.4219 36.4658 174.5613 38 L 5.1517 9.2839 123.0006 53.8426 45.4914 174.9486 39 T 5.1383 8.7100 122.7523 61.8064 71.4376 173.0624 40 L 5.0904 8.8562 126.6202 53.8768 46.4106 173.8139 41 D 5.4256 9.2366 125.2754 53.1292 43.1351 175.6499 42 I 4.4773 8.8576 124.0576 59.3496 41.3789 174.1048 43 N 4.9496 9.4635 127.2370 53.4367 37.9622 174.7761 44 V 4.0231 8.1671 121.4503 62.9378 31.6252 176.0150 45 E 4.4057 8.4389 120.6649 57.4158 30.4349 177.1824 46 L 4.2407 8.2070 117.5625 56.7881 42.0956 176.4877 47 F 4.9431 8.1695 120.3949 55.9047 40.2084 171.2798 48 P 4.1342 0.0000 0.0000 62.0493 31.7212 176.4132 49 V 4.0202 7.7984 121.3519 61.0108 34.1754 173.5286 50 A 4.5747 7.5809 122.4991 50.0724 22.3096 175.9539 51 A 4.0172 8.3604 122.3514 53.8086 18.7550 177.5649 52 Q 3.7710 8.4197 119.2321 56.6409 26.8329 173.6574 53 D 5.0420 7.8203 116.8726 53.1594 43.8721 175.6992 54 S 5.6066 8.2638 112.9650 56.0720 66.1784 173.5449 55 L 5.0985 8.4879 121.6331 53.3526 46.2893 175.5257 56 T 4.6453 8.5523 119.4896 63.2858 70.2365 173.9608 57 V 4.8989 8.8345 125.1145 61.6988 34.6274 174.6074 58 T 4.8066 8.8704 124.0178 61.7157 71.9003 172.6357 59 I 4.6528 8.5147 119.9302 58.2516 39.0207 180.9069 60 A 3.7979 8.4098 131.5591 54.1749 16.8717 178.0080 61 S 5.9521 7.9563 111.8195 58.7238 64.3855 177.7318 62 S 4.5307 7.1664 116.4858 59.0117 70.0800 175.2623 63 L 4.1408 7.5655 122.8188 52.7957 41.1904 177.4741 *76 T 4.0820 7.3381 118.9623 63.4898 69.7344 170.7398 77 R 3.9161 7.8857 127.4762 54.7635 30.9232 176.9207 78 S 3.9929 8.8290 115.7828 58.3571 62.8662 173.2180 79 W 4.2172 9.0675 135.0000 57.3151 30.1744 175.4703 80 R 3.7856 8.0959 125.4372 55.1593 30.0316 175.4024 81 P 3.5548 0.0000 0.0000 61.7449 33.2648 174.1284 82 P 3.3595 0.0000 0.0000 64.9826 30.4788 176.8472 83 Q 3.5989 9.4417 123.3389 57.2315 28.1886 172.4635 84 A 5.2189 7.7086 117.5253 51.9973 19.5228 178.6358 85 G 3.8261 8.1515 108.9506 48.3610 0.0000 174.3643 86 D 4.9597 7.2682 119.4226 53.1454 41.7606 175.2131 87 R 4.6317 7.6279 113.6752 54.3842 34.1525 175.1468 88 S 4.2302 8.4225 115.1073 58.2461 63.5718 174.2570 89 L 4.5204 8.2081 122.2998 53.8485 41.4121 178.3780 90 A 4.4413 8.5145 133.2206 51.2526 17.3440 177.5872 91 D 5.0481 10.6100 120.5150 53.4323 40.9429 174.7551 92 D 4.5506 8.4168 123.0617 54.7047 41.0142 176.3113 93 Y 4.4661 7.4546 117.3852 57.4460 38.9050 175.3615 94 D 4.5589 8.1969 122.2120 57.0141 42.0008 176.4556 95 Y 4.5086 7.5505 119.2659 56.6808 41.8097 173.5553 96 V 4.9487 8.2255 126.2462 61.5800 34.8445 174.0548 97 M 4.9144 8.9978 125.9676 53.5863 36.3963 173.5865 98 Y 5.1015 8.6116 120.6142 56.3305 41.5529 174.9277 99 G 3.1746 7.8679 112.3808 45.5373 0.0000 171.6005 100 T 4.8639 7.9267 114.8161 61.7961 73.2927 172.9341 101 A 4.3330 8.0618 123.3546 50.9200 20.1307 175.1578 102 Y 4.4103 7.8332 118.9332 56.4109 38.8292 176.0623 103 K 4.6094 7.0635 116.7823 53.6172 36.3533 174.6312 104 F 4.7839 8.6054 119.5401 55.7101 42.0679 174.1093 105 E 4.6548 9.4206 125.9155 54.3324 31.8293 174.4988 106 E 4.3965 8.8429 126.8385 55.2907 30.0813 178.0548 107 V 4.1904 8.0111 128.9966 63.6336 31.7779 176.2505 108 S 3.3536 8.5331 119.6311 57.3140 64.5985 172.4674 109 K 3.4604 9.2917 117.0756 57.3003 30.3588 175.0205 110 D 4.5240 9.0155 122.0297 54.9047 37.9750 173.1580 111 L 4.9172 7.5397 116.2482 54.6903 46.0789 174.3289 112 I 4.8628 8.4921 120.0297 60.2307 42.5080 173.2851 113 A 4.8688 8.4715 124.7016 50.8315 22.9006 175.6075 114 V 4.1033 8.6542 116.1344 59.6536 34.6269 174.4980 115 Y 4.9461 7.1177 122.2699 56.3738 40.0165 174.4345 116 Y 5.1037 8.9746 121.7912 56.1688 42.4475 175.0001 117 S 4.7210 9.3980 117.0676 56.7178 65.1042 173.1354 118 F 4.7236 9.3250 130.3949 57.2025 36.5618 176.5347 119 G 3.7878 9.0333 106.5538 45.1587 0.0000 168.7461 120 G 4.2611 8.3560 111.6046 45.8266 0.0000 172.2186 121 L 4.3069 7.6912 119.9446 54.2765 42.9438 176.4188 122 L 5.4971 9.4080 123.0562 53.4902 45.7250 175.3722 123 M 5.1895 9.0435 120.2096 54.5896 35.9376 173.2709 124 R 4.9530 9.5840 127.5326 54.4610 32.7480 174.2909 125 L 5.0716 8.5084 127.7211 53.1606 45.2771 174.5954 126 E 4.9921 8.3766 124.9089 53.5374 33.3317 172.3856 127 G 3.9940 8.9123 118.1772 46.6925 0.0000 173.3921 128 N 4.8921 8.3886 123.5047 54.6235 45.7800 175.5823 129 Y 4.3636 8.0179 114.3460 59.3417 38.2486 177.3707 130 R 4.0353 7.6071 119.3342 58.5012 30.5719 178.6157 131 N 4.0330 7.5115 115.6458 56.1875 38.3728 176.4284 132 L 4.6765 7.7181 115.1066 54.6687 41.5491 176.8691 133 N 4.8166 7.8261 114.8952 54.6359 41.6901 175.1387 134 N 4.5749 7.9148 126.3851 53.7176 37.2830 175.0986 135 L 4.2643 8.0302 123.5354 54.0117 42.8361 176.7004 136 K 4.4976 8.1239 116.7557 57.3002 31.2535 177.1115 137 Q 4.6497 8.0283 118.8526 54.3673 30.8037 175.8089 138 E 4.1782 8.8728 122.6203 59.5228 29.7531 177.9236 139 N 4.7278 8.1090 113.8850 52.0736 39.6500 174.3871 140 A 5.2783 8.2289 135.0000 52.8206 20.3521 176.2740 141 Y 4.9756 8.4795 120.6671 58.3743 40.4331 174.9386 142 L 4.6837 8.7327 120.9804 54.2943 46.1433 174.1663 143 L 4.8151 8.4076 125.5430 53.0476 44.2861 175.7003 144 I 5.4657 8.7548 125.0291 59.3671 40.0835 174.9840 145 R 4.4119 8.5183 118.8234 56.1025 32.7711 175.2678 146 R 4.2404 8.5947 118.4156 56.9952 30.7186 176.3447 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 8.33 4.41 0.00 3.89 3.91 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 3 N 7.70 4.07 0.00 2.78 2.72 0.00 0.00 7.31 6.82 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 4 T 9.18 4.14 4.29 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 1.29 0.00 0.00 5 L 8.07 4.99 0.00 1.71 1.78 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.78 4.81 0.00 3.19 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 7 D 7.16 4.53 0.00 2.58 2.31 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 8 D 8.64 4.48 0.00 2.49 2.13 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 9 I 8.35 4.54 1.80 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 1.25 0.79 0.90 0.00 0.00 10 F 8.98 5.35 0.00 3.10 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 11 Q 9.29 4.72 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 12 V 8.86 4.21 2.26 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 0.94 0.00 0.00 1.00 0.00 0.00 13 S 9.33 4.72 0.00 3.88 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 14 E 7.89 4.80 0.00 2.04 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 2.29 2.29 0.00 15 V 8.47 4.65 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 0.75 0.00 0.00 0.92 0.00 0.00 16 D 8.36 4.70 0.00 2.88 2.61 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 0.00 17 P 0.00 4.75 0.00 2.13 2.10 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 18 G 8.26 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 19 R 8.00 3.61 0.00 1.60 1.67 0.00 3.29 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 20 Y 7.29 5.19 0.00 2.93 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 21 N 8.97 4.88 0.00 2.72 2.84 0.00 0.00 6.85 7.61 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 22 K 7.93 4.57 0.00 1.66 1.77 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.41 7.81 23 V 7.45 4.66 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.76 0.00 0.00 24 C 8.83 5.04 0.00 3.06 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 25 R 8.18 5.13 0.00 2.18 1.82 0.00 3.13 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 26 I 9.27 4.71 1.84 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 1.07 1.16 0.91 0.00 0.00 27 E 8.95 4.92 0.00 2.14 1.81 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 2.22 2.29 0.00 28 A 9.17 5.36 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 29 A 8.89 5.24 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 30 S 8.29 3.99 0.00 3.75 3.76 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 31 T 8.08 3.86 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 1.19 0.00 0.00 32 T 9.10 3.30 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 1.17 0.00 0.00 33 Q 8.12 4.04 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 34 D 8.71 4.79 0.00 2.71 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 35 Q 7.63 4.70 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 36 C 8.13 5.21 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 5.10 0.00 1.85 1.89 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 38 L 9.28 5.15 0.00 1.50 1.36 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.71 5.14 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 1.27 0.00 0.00 40 L 8.86 5.09 0.00 1.67 1.37 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.24 5.43 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 4.48 1.82 0.00 0.00 0.63 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 1.37 0.82 0.00 0.00 43 N 9.46 4.95 0.00 2.81 2.87 0.00 0.00 6.71 8.22 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 44 V 8.17 4.02 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 0.80 0.00 0.00 0.87 0.00 0.00 45 E 8.44 4.41 0.00 2.04 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 2.26 2.27 0.00 46 L 8.21 4.24 0.00 1.91 1.75 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.17 4.94 0.00 3.26 3.42 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 48 P 0.00 4.13 0.00 1.93 1.88 0.00 3.62 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 2.00 2.05 0.00 49 V 7.80 4.02 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 0.71 0.00 0.00 0.66 0.00 0.00 50 A 7.58 4.57 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.36 4.02 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 52 Q 8.42 3.77 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 53 D 7.82 5.04 0.00 2.81 2.61 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 0.00 54 S 8.26 5.61 0.00 3.93 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 55 L 8.49 5.10 0.00 1.67 1.66 0.97 0.90 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 56 T 8.55 4.65 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 1.29 0.00 0.00 57 V 8.83 4.90 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 1.11 0.00 0.00 0.94 0.00 0.00 58 T 8.87 4.81 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 1.20 0.00 0.00 59 I 8.51 4.65 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 1.01 0.00 0.00 60 A 8.41 3.80 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.96 5.95 0.00 4.17 4.08 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 0.00 0.00 0.00 62 S 7.17 4.53 0.00 3.88 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 63 L 7.57 4.14 0.00 1.57 1.61 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.34 4.08 4.29 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 1.25 0.00 0.00 77 R 7.89 3.92 0.00 2.00 1.97 0.00 3.25 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 78 S 8.83 3.99 0.00 4.04 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 79 W 9.07 4.22 0.00 3.21 3.29 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 80 R 8.10 3.79 0.00 1.54 1.62 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 81 P 0.00 3.55 0.00 1.85 1.85 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 82 P 0.00 3.36 0.00 1.99 1.83 0.00 3.64 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 83 Q 9.44 3.60 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 84 A 7.71 5.22 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 85 G 8.15 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 0.00 0.00 0.00 86 D 7.27 4.96 0.00 2.65 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 87 R 7.63 4.63 0.00 1.77 1.74 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 88 S 8.42 4.23 0.00 3.97 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 89 L 8.21 4.52 0.00 2.04 1.83 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.44 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 91 D 10.61 5.05 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 92 D 8.42 4.55 0.00 2.23 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 93 Y 7.45 4.47 0.00 2.96 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 94 D 8.20 4.56 0.00 2.19 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 95 Y 7.55 4.51 0.00 2.69 2.23 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 96 V 8.23 4.95 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 0.96 0.00 0.00 0.97 0.00 0.00 97 M 9.00 4.91 0.00 1.77 1.20 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 98 Y 8.61 5.10 0.00 2.40 2.60 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 99 G 7.87 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 0.00 0.00 0.00 100 T 7.93 4.86 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 1.19 0.00 0.00 101 A 8.06 4.33 0.59 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 0.00 102 Y 7.83 4.41 0.00 2.86 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 0.00 103 K 7.06 4.61 0.00 1.64 1.75 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 104 F 8.61 4.78 0.00 2.76 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 0.00 105 E 9.42 4.65 0.00 1.91 1.61 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 2.23 2.36 0.00 106 E 8.84 4.40 0.00 1.90 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 2.31 2.25 0.00 107 V 8.01 4.19 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 0.84 0.00 0.00 0.89 0.00 0.00 108 S 8.53 3.35 0.00 4.09 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 0.00 109 K 9.29 3.46 0.00 1.94 1.81 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 9.02 4.52 0.00 2.96 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 0.00 111 L 7.54 4.92 0.00 1.49 1.53 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.49 4.86 1.81 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 1.11 1.29 0.80 0.00 0.00 113 A 8.47 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.65 4.10 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 0.95 0.00 0.00 0.84 0.00 0.00 115 Y 7.12 4.95 0.00 2.12 1.43 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 0.00 116 Y 8.97 5.10 0.00 3.05 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 0.00 117 S 9.40 4.72 0.00 3.77 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 0.00 118 F 9.32 4.72 0.00 2.89 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 0.00 119 G 9.03 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 0.00 120 G 8.36 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 0.00 0.00 0.00 0.00 121 L 7.69 4.31 0.00 1.73 1.67 0.98 0.53 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 0.00 122 L 9.41 5.50 0.00 1.64 1.70 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.04 5.19 0.00 2.48 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 124 R 9.58 4.95 0.00 2.03 1.79 0.00 3.34 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 125 L 8.51 5.07 0.00 1.70 1.30 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.38 4.99 0.00 1.96 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 2.15 2.26 0.00 127 G 8.91 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 0.00 0.00 0.00 128 N 8.39 4.89 0.00 2.73 2.85 0.00 0.00 6.65 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 0.00 129 Y 8.02 4.36 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 130 R 7.61 4.04 0.00 1.67 1.87 0.00 2.78 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.00 131 N 7.51 4.03 0.00 2.70 2.85 0.00 0.00 6.90 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.72 4.68 0.00 1.66 1.68 0.96 0.92 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 0.00 133 N 7.83 4.82 0.00 2.80 2.89 0.00 0.00 6.87 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 0.00 134 N 7.91 4.57 0.00 2.73 2.95 0.00 0.00 6.91 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 0.00 135 L 8.03 4.26 0.00 1.68 1.67 0.94 0.94 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 0.00 136 K 8.12 4.50 0.00 1.75 1.82 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.05 1.23 7.81 137 Q 8.03 4.65 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 138 E 8.87 4.18 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 139 N 8.11 4.73 0.00 2.85 2.96 0.00 0.00 6.76 7.35 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 0.00 140 A 8.23 5.28 1.22 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 0.00 0.00 141 Y 8.48 4.98 0.00 2.99 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 0.00 142 L 8.73 4.68 0.00 1.77 1.16 0.96 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.41 4.82 0.00 0.80 0.13 0.80 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.75 5.47 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.20 0.80 0.00 0.00 145 R 8.52 4.41 0.00 1.99 2.17 0.00 2.81 0.00 0.00 2.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 146 R 8.59 4.24 0.00 2.07 2.00 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.