NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3501 8.1593 117.3752 62.4432 69.9257 173.4409 2 P 4.2083 0.0000 0.0000 62.0979 31.8371 174.9516 3 Q 4.1403 8.4741 122.3153 57.8768 30.1575 175.5379 4 N 4.9920 7.5593 113.2645 50.5044 40.6401 174.3764 5 I 3.7131 8.3435 116.3178 64.5972 37.8290 178.0748 6 T 3.8173 7.7735 116.0746 66.9389 68.2516 176.1936 7 D 4.4476 8.1056 117.9328 56.3728 41.0612 177.9989 8 L 4.2073 7.4574 120.5012 58.0388 42.0269 177.7201 9 C 4.3878 8.2513 116.7814 58.7414 43.6669 174.5893 10 A 4.0076 7.5920 121.0057 53.9638 18.3959 178.5863 11 E 3.9455 7.8980 116.1287 57.0583 29.7564 176.0216 12 Y 4.6899 7.2966 115.1160 56.1815 41.3000 174.4400 13 H 4.8212 8.6992 118.0696 56.1513 30.2646 175.0483 14 N 4.4647 9.0060 118.1393 54.4768 35.7553 173.4356 15 T 5.3158 7.9816 107.2943 60.1032 71.3722 173.2682 16 Q 4.6215 9.0419 121.0077 54.8700 32.4247 173.7708 17 I 4.7651 8.2392 121.3708 60.8290 39.2321 174.8708 18 H 4.7907 8.8492 121.4104 54.4700 32.6806 172.6851 19 T 4.6086 8.6144 120.3279 62.6752 68.3738 174.2828 20 L 3.9794 8.9573 127.8679 55.1883 42.6511 177.8621 21 N 4.1718 7.8172 113.6074 53.3409 36.2321 172.2808 22 D 4.7290 8.0761 115.8112 53.0810 45.1976 173.8621 23 K 4.9944 8.3354 120.8280 54.8533 33.9584 176.8870 24 I 3.0134 8.1602 121.4286 61.6814 37.7094 175.6567 25 F 4.8187 8.7244 126.9492 59.8339 40.5907 175.8454 26 S 4.3860 7.6104 108.3351 56.7572 66.9032 172.5793 27 Y 4.8392 7.8045 120.9773 56.1544 41.4263 174.2887 28 T 4.3794 8.5327 123.1956 61.4660 72.0951 172.5047 29 E 4.8546 8.5073 126.3755 54.2434 32.5098 174.6172 30 S 4.7965 9.1471 121.4577 56.4646 65.2994 174.0377 31 L 4.5222 8.6666 125.1988 55.1177 41.3209 176.2846 32 A 3.9745 7.5149 122.8935 52.1196 18.6277 177.5760 33 G 3.8694 8.7599 114.3487 47.7839 0.0000 175.1404 *34 K 4.1296 9.1606 123.9018 55.3071 30.4950 176.1092 *35 D 5.0512 7.4303 115.5567 53.5452 40.7593 183.4632 36 E 4.7215 8.0779 121.9327 56.7532 28.1497 176.2478 37 M 4.8910 8.7946 120.5484 52.9492 35.2111 174.6945 38 A 5.0513 8.5009 122.0128 50.2247 22.4047 174.9603 39 I 5.0749 8.8275 123.2828 59.3524 40.9740 174.7799 40 I 5.4090 8.8924 119.7584 58.4675 41.2268 174.2642 41 T 5.7087 8.0410 111.7567 59.5270 73.0912 171.6468 42 F 4.9435 8.5824 118.9985 55.2048 42.9647 176.5410 43 K 3.3680 8.3166 118.4148 59.4463 31.8910 177.8434 44 N 4.3548 8.1012 114.6863 53.9136 37.2489 175.3659 45 G 3.9539 7.8799 106.4688 45.2613 0.0000 174.2083 46 A 3.8653 8.2032 123.3688 53.0490 18.7680 176.3034 47 T 5.0986 7.7681 118.8899 61.8753 71.5726 173.6799 48 F 5.2083 8.9124 122.2574 56.1180 44.1916 173.3504 49 Q 5.0859 9.2406 118.4202 54.5998 32.7299 174.2102 50 V 4.6232 8.1399 119.8045 60.7554 32.7307 175.0854 51 E 3.9479 9.0277 129.5085 56.1236 29.8867 176.6592 52 V 3.5950 8.5291 125.3212 63.1320 32.1572 175.2910 53 P 4.6367 0.0000 0.0000 62.7586 28.3791 175.9485 54 G 3.9533 7.8675 110.9678 44.4109 0.0000 172.0630 55 S 3.8158 8.5065 112.8949 61.0109 62.9808 174.1990 56 Q 4.1584 7.6025 122.1128 55.9109 28.6942 176.1718 57 H 4.9486 7.3852 114.4163 52.8946 31.1439 174.6833 58 I 4.0426 8.1862 126.7789 61.2651 39.0125 175.6920 59 D 4.7443 8.4903 118.8410 55.3522 41.0928 177.6970 60 S 4.5625 7.8790 114.5743 59.1659 63.5456 175.0292 61 Q 4.2338 7.7508 121.7750 56.9662 29.1662 177.3732 62 K 4.0145 7.7094 119.4420 59.5589 32.2149 179.1026 63 K 3.9297 8.0614 118.4482 60.2096 32.4660 178.8800 64 A 4.0504 7.5866 122.2926 54.5929 18.2168 179.7612 65 I 3.7529 7.5542 118.5200 64.4951 37.2889 178.4590 66 E 3.9860 8.3519 119.5451 59.2940 29.2344 179.2474 67 R 3.8775 8.0829 118.7512 59.7534 30.1045 178.0509 68 M 4.0301 8.1367 117.8269 58.8200 32.0676 178.3643 69 K 4.0928 8.0023 118.0835 59.4017 32.0991 179.1870 70 D 4.3268 8.0176 119.0098 57.7613 40.7310 178.8075 71 T 3.8763 8.2532 116.6069 66.7363 68.4277 176.7005 72 L 4.0508 8.2167 120.9317 57.4892 41.6827 179.4113 73 R 3.1498 8.2060 118.9561 59.3280 29.9657 178.4918 74 I 3.5912 8.0495 118.5597 63.9683 37.9251 177.6492 75 A 3.9494 8.3079 121.9763 55.0455 18.1030 179.1204 76 Y 3.9297 8.0562 118.1204 61.0164 38.7727 178.0812 77 L 3.5103 7.6307 118.6119 57.5144 41.7800 178.2641 78 T 4.0991 7.9505 106.4220 61.0662 69.1135 174.2177 79 E 3.6358 7.6419 120.3705 57.3013 27.9901 174.5854 80 A 4.1742 7.8815 119.6922 51.7600 20.2220 177.8283 81 K 4.2594 8.6523 123.3436 55.8906 33.6004 175.9887 82 V 3.6303 8.9008 129.0865 61.4545 32.6875 175.5374 83 E 4.2745 9.6054 128.4542 56.8466 29.6235 175.7770 84 K 5.1220 8.3048 116.6785 54.4601 37.3585 174.8055 85 L 4.9356 8.4445 121.1131 53.0881 45.5033 174.7332 86 C 5.0755 8.7214 124.0001 55.1698 43.7825 172.7919 87 V 4.8016 8.7527 119.5093 59.1792 36.0755 175.1779 88 W 5.1350 9.3880 124.3198 56.0113 29.6894 176.1821 89 N 4.8829 9.1142 123.0874 52.7992 37.2550 175.7336 90 N 4.6967 8.4499 115.5636 53.5466 38.1425 174.5648 91 K 4.7532 7.8168 117.4154 55.0603 35.5458 175.5257 92 T 4.5710 8.1085 116.1126 61.3379 71.7086 172.5676 93 P 4.4003 0.0000 0.0000 62.2913 32.6360 176.1030 94 H 4.6505 8.7072 118.8982 56.8517 29.8893 174.2331 95 A 5.0354 8.9569 125.3963 51.5052 19.8976 176.5007 96 I 3.9920 8.7018 124.3736 61.4300 37.1038 175.8298 97 A 3.9452 8.9315 129.4869 52.8576 20.5234 176.5418 98 A 4.5803 7.2580 114.4934 50.9130 23.0041 175.1163 99 I 5.1274 8.0269 118.3409 59.4275 41.5758 174.3619 100 S 4.7750 8.7472 121.5535 56.7986 66.1695 172.5461 101 M 5.2455 8.7590 121.9085 53.5204 34.7559 174.9691 102 A 4.7595 8.2506 122.8307 49.8401 22.5855 175.8932 103 N 4.4457 8.8410 118.5327 53.1495 37.4168 174.9378 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 1 T 8.16 4.35 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 1.23 0.00 0.00 2 P 0.00 4.21 0.00 2.27 2.20 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 3 Q 8.47 4.14 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 4 N 7.56 4.99 0.00 2.83 2.87 0.00 0.00 5.93 7.68 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 5 I 8.34 3.71 1.83 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 1.57 1.47 0.87 0.00 0.00 6 T 7.77 3.82 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 1.19 0.00 0.00 7 D 8.11 4.45 0.00 2.64 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 8 L 7.46 4.21 0.00 2.14 1.84 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.25 4.39 0.00 3.16 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 10 A 7.59 4.01 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 11 E 7.90 3.95 0.00 1.76 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 2.22 2.46 0.00 12 Y 7.30 4.69 0.00 2.97 3.08 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 13 H 8.70 4.82 0.00 3.24 3.30 0.00 6.00 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 9.01 4.46 0.00 3.16 3.12 0.00 0.00 6.59 7.05 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 15 T 7.98 5.32 4.09 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 0.00 0.00 1.17 0.00 0.00 16 Q 9.04 4.62 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 17 I 8.24 4.77 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.86 0.00 0.00 18 H 8.85 4.79 0.00 2.97 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.61 4.61 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 1.17 0.00 0.00 20 L 8.96 3.98 0.00 1.14 1.30 0.53 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.82 4.17 0.00 2.77 2.82 0.00 0.00 6.61 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 22 D 8.08 4.73 0.00 2.96 2.72 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 23 K 8.34 4.99 0.00 1.95 1.85 0.00 1.26 0.00 0.00 2.41 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.52 7.81 24 I 8.16 3.01 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.84 0.00 0.00 25 F 8.72 4.82 0.00 2.96 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 26 S 7.61 4.39 0.00 3.74 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.80 4.84 0.00 2.06 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 0.00 0.00 0.00 0.00 28 T 8.53 4.38 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 1.08 0.00 0.00 29 E 8.51 4.85 0.00 1.68 1.72 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 2.16 2.25 0.00 30 S 9.15 4.80 0.00 3.82 3.73 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 31 L 8.67 4.52 0.00 1.77 1.73 0.92 0.51 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 32 A 7.51 3.97 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 33 G 8.76 3.87 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 0.00 *34 K 9.16 4.13 0.00 1.98 1.88 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 0.99 7.81 *35 D 7.43 5.05 0.00 2.59 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 36 E 8.08 4.72 0.00 1.97 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 0.00 2.40 2.37 0.00 37 M 8.79 4.89 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 38 A 8.50 5.05 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 39 I 8.83 5.07 1.75 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 1.26 0.58 0.87 0.00 0.00 40 I 8.89 5.41 1.83 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.21 1.02 0.00 0.00 41 T 8.04 5.71 4.33 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 1.24 0.00 0.00 42 F 8.58 4.94 0.00 3.16 3.11 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 43 K 8.32 3.37 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.00 1.12 7.81 44 N 8.10 4.35 0.00 2.86 2.95 0.00 0.00 6.24 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 45 G 7.88 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 0.00 0.00 0.00 46 A 8.20 3.87 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 47 T 7.77 5.10 4.05 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 0.00 0.00 0.00 1.20 0.00 0.00 48 F 8.91 5.21 0.00 3.07 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 49 Q 9.24 5.09 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 50 V 8.14 4.62 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 0.81 0.00 0.00 1.01 0.00 0.00 51 E 9.03 3.95 0.00 2.06 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 0.00 2.34 2.41 0.00 52 V 8.53 3.59 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 0.91 0.00 0.00 0.98 0.00 0.00 53 P 0.00 4.64 0.00 2.10 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 54 G 7.87 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 0.00 0.00 0.00 55 S 8.51 3.82 0.00 3.96 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 56 Q 7.60 4.16 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 57 H 7.39 4.95 0.00 3.18 3.16 0.00 5.68 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 58 I 8.19 4.04 1.90 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 1.66 1.03 0.93 0.00 0.00 59 D 8.49 4.74 0.00 2.65 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 60 S 7.88 4.56 0.00 4.06 4.12 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 61 Q 7.75 4.23 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 62 K 7.71 4.01 0.00 1.88 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.62 7.81 63 K 8.06 3.93 0.00 1.99 2.09 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.53 7.81 64 A 7.59 4.05 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 0.00 0.00 65 I 7.55 3.75 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.91 0.00 0.00 66 E 8.35 3.99 0.00 2.14 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 0.00 2.57 2.47 0.00 67 R 8.08 3.88 0.00 1.90 2.12 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.14 4.03 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 69 K 8.00 4.09 0.00 2.04 1.92 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 70 D 8.02 4.33 0.00 2.94 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 71 T 8.25 3.88 4.44 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 1.22 0.00 0.00 72 L 8.22 4.05 0.00 1.83 1.85 1.04 0.72 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 73 R 8.21 3.15 0.00 1.80 1.79 0.00 2.99 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.14 0.00 74 I 8.05 3.59 1.83 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 1.42 1.29 0.97 0.00 0.00 75 A 8.31 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.06 3.93 0.00 3.09 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 77 L 7.63 3.51 0.00 1.54 1.56 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.95 4.10 4.18 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 1.19 0.00 0.00 79 E 7.64 3.64 0.00 2.06 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 0.00 2.13 2.01 0.00 80 A 7.88 4.17 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 81 K 8.65 4.26 0.00 1.89 1.74 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.55 7.81 82 V 8.90 3.63 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 1.04 0.00 0.00 0.95 0.00 0.00 83 E 9.61 4.27 0.00 2.03 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 2.27 2.27 0.00 84 K 8.30 5.12 0.00 1.60 1.55 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.32 7.81 85 L 8.44 4.94 0.00 1.14 1.11 -0.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.72 5.08 0.00 2.87 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 87 V 8.75 4.80 2.34 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 0.64 0.00 0.00 1.16 0.00 0.00 88 W 9.39 5.14 0.00 3.55 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 89 N 9.11 4.88 0.00 2.64 2.90 0.00 0.00 7.03 8.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.45 4.70 0.00 2.89 3.24 0.00 0.00 5.96 7.13 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 91 K 7.82 4.75 0.00 1.84 1.78 0.00 2.04 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 92 T 8.11 4.57 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 1.18 0.00 0.00 93 P 0.00 4.40 0.00 1.93 1.87 0.00 3.71 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 2.06 0.00 94 H 8.71 4.65 0.00 3.28 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.96 5.04 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 96 I 8.70 3.99 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.69 0.87 0.00 0.00 97 A 8.93 3.95 -0.01 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 98 A 7.26 4.58 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.03 5.13 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.89 0.00 0.00 100 S 8.75 4.78 0.00 3.87 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 0.00 101 M 8.76 5.25 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 102 A 8.25 4.76 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 0.00 103 N 8.84 4.45 0.00 2.82 2.82 0.00 0.00 6.03 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.