NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3162 8.4449 120.2262 55.8736 29.5598 175.2115 5 V 3.5783 7.9374 115.7999 61.3291 32.8170 175.6596 6 D 4.4612 7.2063 119.6419 52.0011 42.8643 175.7916 7 Q 4.0156 8.7641 114.7299 60.0646 28.4666 178.4529 8 Q 4.0543 8.1180 119.6873 58.5915 28.3155 178.9254 9 I 3.6895 7.5796 120.6697 64.3796 37.1410 178.1514 10 L 3.9932 7.7980 120.4604 58.1322 42.1138 178.6585 11 L 4.0887 7.9953 118.8695 57.8487 41.4120 179.5574 12 Q 4.0801 8.2490 118.1358 58.7328 28.6344 178.4649 13 Q 4.0282 7.8565 118.9315 58.9478 28.6834 178.7377 14 L 4.1898 8.4060 120.4759 57.6825 41.5938 179.4580 15 K 3.9844 8.1414 119.5953 59.5604 32.1428 178.6897 16 S 4.1183 8.3331 113.4567 61.6349 62.3889 175.9102 17 D 4.4269 8.5987 121.9153 57.6225 40.5040 178.2094 18 Y 3.5778 8.4165 120.3354 60.1882 38.6357 177.7952 19 R 3.8577 8.2583 119.9794 59.7339 30.1229 178.6103 20 Q 3.9843 7.9074 117.1584 58.8158 28.6941 179.0566 21 I 3.6491 7.2938 120.5235 64.1326 36.8926 178.2784 22 L 3.7266 7.3412 118.6881 57.8575 41.5872 179.5601 23 L 4.1956 7.9928 116.9357 56.3813 41.8264 178.4385 24 S 4.7006 7.4980 112.8850 58.0385 63.3878 175.0761 25 Y 3.7160 7.7889 124.2052 60.4988 38.5714 176.6995 26 F 4.8987 8.1267 115.7045 57.5821 39.4633 175.3449 27 T 4.8322 7.4713 119.9445 61.8883 70.8590 172.8490 28 T 4.2938 7.7135 112.0775 62.0691 70.5599 173.7905 29 D 3.9570 7.6279 124.2903 51.8388 43.4253 174.5575 *32 L 4.3143 8.2253 125.6840 55.0044 44.0313 178.6275 33 K 3.8876 8.0154 118.5733 59.7647 32.0701 178.4724 34 E 3.9896 8.1086 118.2286 59.1639 29.4276 179.3042 35 K 4.0408 7.9779 118.2505 59.4923 32.1123 179.3449 36 I 3.8222 7.8317 120.1198 64.4856 37.0420 178.2097 37 D 4.3810 8.3830 119.9788 57.3531 40.7394 179.1013 38 K 4.0431 8.2958 119.0639 59.2656 32.0542 179.2382 39 F 4.1416 8.3614 121.0313 61.3092 39.3252 177.2278 40 I 3.6554 8.1910 119.6600 64.5119 36.9420 177.9699 41 N 4.3537 8.2210 117.6008 56.4944 38.7173 176.8545 42 A 3.9457 7.8520 122.0293 55.2648 18.6582 180.1189 43 V 3.5077 7.4745 110.9045 63.9902 31.3425 178.7403 44 F 4.0844 8.2462 120.6940 61.6674 39.0980 177.1311 45 C 3.9024 8.3868 115.0486 62.0944 27.9622 175.0134 46 A 4.3020 7.7853 119.6634 50.9466 18.6449 176.3510 47 N 4.1969 7.7689 114.8683 54.3892 38.0792 174.2160 48 I 3.8992 7.5092 116.8699 59.9498 38.0143 174.8121 49 P 4.4295 0.0000 0.0000 62.1385 32.2075 177.5416 50 V 3.6316 8.4930 120.8686 65.8889 31.3972 176.6479 51 P 4.2469 0.0000 0.0000 65.6311 31.0816 178.3637 52 E 4.0097 8.1203 117.2168 59.2953 29.3732 179.3299 53 I 3.7232 7.5559 119.5233 64.3514 37.2510 178.3840 54 I 3.6941 7.9159 120.8313 64.1195 36.8123 178.1369 55 E 3.9232 8.1039 120.4274 59.1290 29.4653 178.8598 56 I 3.5879 7.6750 119.9326 64.5185 37.1543 177.4986 57 H 4.0076 7.8923 118.8950 59.8725 29.6486 176.9993 58 M 4.0388 8.0552 120.0604 58.4672 31.8038 178.7222 59 E 3.9181 8.2934 118.7194 59.4450 29.5955 179.4705 60 L 3.6995 7.8531 118.9564 57.4918 41.4872 179.6114 61 I 3.4417 7.4074 119.9026 64.2073 37.1087 178.1934 62 D 4.3355 8.0842 119.7425 57.3106 40.5804 178.5722 63 E 3.9970 8.0760 118.9705 59.5298 29.4417 179.3654 64 F 4.4686 8.4773 118.3431 60.8816 38.9646 177.9431 65 S 4.2166 8.4835 113.8064 61.2919 62.6156 176.8679 66 K 3.9752 8.0636 121.6305 59.5935 31.7298 179.3401 67 Q 4.0702 8.2063 116.9716 58.6045 28.6994 178.1127 68 L 4.3220 8.0940 117.3077 53.6671 42.5705 176.5102 69 R 3.9405 7.8760 117.1857 57.1086 29.6828 176.8858 70 L 3.7827 8.7226 119.8190 56.6270 40.4907 179.8344 *74 G 3.6029 8.9518 111.8929 46.1666 0.0000 172.0722 75 D 4.4333 7.8048 121.1787 54.2141 37.7896 174.9288 *78 L 4.3057 7.7564 127.4892 54.5089 43.4817 179.4165 79 M 4.2594 8.1526 119.9704 58.2661 31.9236 177.6008 80 D 4.4509 8.0433 118.8054 57.1263 41.0448 177.3351 81 Y 4.6086 7.9585 116.1036 59.5653 37.7785 177.9151 82 R 4.1025 8.2623 120.0929 58.6760 30.0594 178.7786 83 L 4.0362 8.0578 119.5223 57.9663 41.6070 179.4055 84 T 2.7362 7.4233 115.1293 66.2043 68.2663 176.2497 85 L 4.0052 7.6910 121.6569 58.1012 41.9875 178.9575 86 I 3.6939 7.9299 119.9195 64.5087 37.0780 177.8332 87 D 4.4195 8.2567 118.7976 57.4012 40.9494 178.4672 88 I 3.8059 7.9901 120.2641 64.5574 37.1379 178.4884 89 L 4.0526 8.3525 119.9127 57.6355 41.4383 179.4960 90 A 4.0181 8.4228 121.1299 55.5571 18.4111 179.4594 91 H 4.0667 8.3629 114.8033 58.7741 28.7389 177.8716 92 L 3.9291 8.3594 122.4840 58.2726 41.9654 178.6591 93 C 4.2339 8.4184 116.9358 63.1858 28.0497 176.1350 94 E 4.1176 8.2470 119.6328 59.0071 28.7258 179.2987 95 A 3.6174 7.4215 120.1124 55.2505 18.7166 179.0107 96 Y 4.4430 7.7385 115.2268 61.3223 37.6910 178.7729 97 R 4.0984 8.7204 120.2768 59.3357 30.0442 178.4880 98 G 3.5962 8.4841 103.8284 46.4686 0.0000 174.4359 99 A 4.5640 7.6269 121.7080 53.6702 20.0564 178.5080 100 I 3.6087 6.9486 117.7227 64.2197 37.2600 176.0515 101 F 4.5088 7.9657 120.6129 57.5598 39.0833 175.5828 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 4 E 8.44 4.32 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 5 V 7.94 3.58 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 0.69 0.00 0.00 0.93 0.00 0.00 6 D 7.21 4.46 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.76 4.02 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 8 Q 8.12 4.05 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 9 I 7.58 3.69 1.98 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 1.41 0.79 0.91 0.00 0.00 10 L 7.80 3.99 0.00 1.75 1.64 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.00 4.09 0.00 1.75 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.25 4.08 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 13 Q 7.86 4.03 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 14 L 8.41 4.19 0.00 1.87 1.91 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.14 3.98 0.00 1.95 2.02 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 16 S 8.33 4.12 0.00 3.97 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 17 D 8.60 4.43 0.00 3.20 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 18 Y 8.42 3.58 0.00 2.88 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 19 R 8.26 3.86 0.00 2.02 2.17 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.00 0.00 20 Q 7.91 3.98 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 21 I 7.29 3.65 1.45 0.00 0.00 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 1.42 1.12 0.68 0.00 0.00 22 L 7.34 3.73 0.00 1.65 1.30 0.52 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.99 4.20 0.00 1.57 1.66 0.81 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.50 4.70 0.00 3.95 4.03 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 25 Y 7.79 3.72 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.13 4.90 0.00 3.17 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 27 T 7.47 4.83 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 28 T 7.71 4.29 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 29 D 7.63 3.96 0.00 2.68 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 *32 L 8.23 4.31 0.00 1.71 1.60 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.02 3.89 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.54 7.81 34 E 8.11 3.99 0.00 2.02 1.99 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 2.40 2.35 0.00 35 K 7.98 4.04 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 36 I 7.83 3.82 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.83 0.00 0.00 37 D 8.38 4.38 0.00 2.74 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 38 K 8.30 4.04 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.76 7.81 39 F 8.36 4.14 0.00 3.28 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 40 I 8.19 3.66 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.83 0.81 0.00 0.00 41 N 8.22 4.35 0.00 2.87 2.95 0.00 0.00 7.16 8.45 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 42 A 7.85 3.95 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 43 V 7.47 3.51 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 0.16 0.00 0.00 0.87 0.00 0.00 44 F 8.25 4.08 0.00 2.89 3.05 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 45 C 8.39 3.90 0.00 2.94 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 46 A 7.79 4.30 1.27 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 47 N 7.77 4.20 0.00 2.76 2.85 0.00 0.00 7.14 8.09 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 48 I 7.51 3.90 1.84 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 1.27 0.62 0.89 0.00 0.00 49 P 0.00 4.43 0.00 2.16 1.94 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 50 V 8.49 3.63 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 1.08 0.00 0.00 0.97 0.00 0.00 51 P 0.00 4.25 0.00 2.18 2.08 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 52 E 8.12 4.01 0.00 2.19 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 2.31 2.33 0.00 53 I 7.56 3.72 2.00 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 1.69 0.93 0.88 0.00 0.00 54 I 7.92 3.69 1.98 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 1.36 0.79 0.89 0.00 0.00 55 E 8.10 3.92 0.00 2.18 2.02 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 2.27 2.32 0.00 56 I 7.67 3.59 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.78 0.00 0.00 57 H 7.89 4.01 0.00 3.05 3.46 0.00 5.79 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 58 M 8.06 4.04 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 59 E 8.29 3.92 0.00 2.09 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 2.29 2.57 0.00 60 L 7.85 3.70 0.00 1.48 0.87 1.07 0.62 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 61 I 7.41 3.44 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 1.49 0.79 0.96 0.00 0.00 62 D 8.08 4.34 0.00 2.83 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 63 E 8.08 4.00 0.00 2.11 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 2.34 2.43 0.00 64 F 8.48 4.47 0.00 3.16 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 65 S 8.48 4.22 0.00 4.10 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 0.00 66 K 8.06 3.98 0.00 2.16 1.93 0.00 1.59 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.54 7.81 67 Q 8.21 4.07 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 68 L 8.09 4.32 0.00 1.78 1.73 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.88 3.94 0.00 1.94 2.00 0.00 3.41 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 70 L 8.72 3.78 0.00 1.67 1.40 0.99 1.15 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 *74 G 8.95 3.60 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 0.00 0.00 0.00 75 D 7.80 4.43 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 *78 L 7.76 4.31 0.00 1.94 2.15 1.25 1.13 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 79 M 8.15 4.26 0.00 2.09 2.14 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 2.66 2.67 0.00 80 D 8.04 4.45 0.00 2.40 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.61 0.00 3.37 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 82 R 8.26 4.10 0.00 2.01 2.01 0.00 3.17 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 83 L 8.06 4.04 0.00 1.97 1.89 1.23 0.82 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 84 T 7.42 2.74 4.20 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 0.67 0.00 0.00 85 L 7.69 4.01 0.00 1.54 1.73 0.87 0.99 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 86 I 7.93 3.69 2.06 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 1.43 0.65 0.95 0.00 0.00 87 D 8.26 4.42 0.00 3.00 2.86 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 88 I 7.99 3.81 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.04 1.17 0.00 0.00 89 L 8.35 4.05 0.00 1.72 1.76 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.02 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 91 H 8.36 4.07 0.00 3.55 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.36 3.93 0.00 1.95 1.92 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.42 4.23 0.00 3.23 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 94 E 8.25 4.12 0.00 2.08 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 0.00 2.47 2.43 0.00 95 A 7.42 3.62 0.52 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 0.00 0.00 96 Y 7.74 4.44 0.00 3.32 3.01 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 97 R 8.72 4.10 0.00 2.00 1.98 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 98 G 8.48 3.60 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 0.00 0.00 0.00 99 A 7.63 4.56 1.59 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 0.00 100 I 6.95 3.61 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 1.47 0.66 -0.49 0.00 0.00 101 F 7.97 4.51 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.