NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4236 8.1749 117.3815 62.8381 70.6939 174.4086 3 T 4.4437 7.8532 117.3247 60.3735 74.0738 171.5724 4 P 4.0791 0.0000 0.0000 65.7431 31.8612 178.5476 5 S 4.1217 7.9322 111.2664 61.6481 62.3714 175.8320 6 M 3.9621 7.9286 120.8922 58.4158 31.7381 178.4429 7 E 3.8361 8.6041 118.9644 59.4526 29.6571 178.8708 8 D 4.4022 8.3264 118.4295 57.5259 41.2039 178.0351 9 Y 3.8702 8.3341 117.3600 61.0465 37.8417 178.3628 10 I 3.8045 8.0682 120.9913 64.2195 37.2010 178.0106 11 E 3.9532 8.7116 120.5443 59.4938 29.5060 178.7778 12 Q 4.0017 8.2103 119.4755 59.2326 29.1277 178.1615 13 I 3.7826 8.3734 121.3816 64.4365 37.1343 177.7974 14 Y 4.0398 8.5488 120.8650 60.9789 38.6633 178.0049 15 M 4.1147 8.3434 119.6357 58.3305 31.9779 178.7341 16 L 3.9119 8.0390 119.1012 57.9040 41.8216 179.6461 17 I 3.5716 7.7358 119.6422 64.4481 36.7665 178.4270 18 E 3.8184 7.7362 118.5255 58.9049 29.2649 178.7755 19 E 3.9978 8.2682 119.0780 58.8172 29.9539 178.0233 20 K 4.1113 8.3499 116.5835 55.8610 33.3006 177.5741 21 G 3.9930 8.8287 106.0138 45.1222 0.0000 172.3278 22 Y 4.6236 6.3443 114.9979 56.0161 40.3963 174.0186 23 A 4.5913 8.4552 122.5550 49.9509 20.4513 176.5108 24 R 4.3809 8.4559 121.2026 56.1551 32.5732 177.6776 25 V 3.6357 8.4679 122.1962 66.3099 31.4435 178.5195 26 S 4.1424 8.0848 113.2784 61.8572 62.7765 176.1932 27 D 4.3587 8.0149 122.1138 56.7181 40.5697 178.7731 28 I 3.6684 8.0128 120.4466 64.3914 37.1349 178.2161 29 A 3.9911 8.4472 122.0094 55.2495 17.9489 179.3329 30 E 3.8594 8.5040 117.7315 59.2535 29.4897 178.8926 31 A 4.1024 8.0068 120.1808 54.4944 18.5836 178.7092 32 L 4.1568 7.9269 114.6013 53.7174 42.4730 176.3455 33 A 3.7274 7.4742 119.4970 53.6228 16.4684 177.1258 34 V 4.5604 7.7082 111.6808 60.3194 35.5999 175.6637 35 H 4.4603 8.5176 120.8541 55.2041 30.5965 174.3394 36 P 4.3111 0.0000 0.0000 66.1432 30.8708 178.8854 37 S 4.1692 7.9144 113.4948 61.5010 62.9880 176.5767 38 S 4.1906 8.1084 118.7898 61.2469 62.4586 176.7890 39 V 3.8474 7.7541 120.6014 66.2597 31.3702 177.9222 40 T 3.8639 8.0200 115.5406 66.5600 68.3435 176.3717 41 K 3.8760 7.8719 120.8681 59.7211 32.2545 178.5232 42 M 3.7785 7.8060 118.3261 58.4385 31.9455 178.2327 43 V 3.5687 7.9820 118.7290 66.2768 31.7197 178.0566 44 Q 3.9965 8.0442 117.6447 58.6958 28.4159 178.8109 45 K 3.9763 7.8000 120.3680 59.4594 32.2028 178.9862 46 L 4.1315 8.4952 119.6391 57.6446 41.4724 179.1198 47 D 4.8036 8.3658 119.8917 56.8175 41.0256 178.1258 48 K 3.9829 7.8777 118.8126 59.5227 32.2633 177.5961 49 D 4.6164 8.1459 115.9139 53.8306 40.8159 176.0631 50 E 3.7866 7.8883 117.7544 57.7777 27.4606 175.1639 51 Y 4.3230 8.2866 118.9664 59.4531 38.7440 175.2858 52 L 5.0375 7.5019 118.1459 55.2929 42.5990 173.4499 53 I 4.4699 8.1174 117.0515 62.7048 41.1653 179.0118 *59 G 4.0787 7.2674 108.8370 45.2955 0.0000 175.6437 60 L 4.4391 8.6714 122.9209 55.1009 41.6189 175.0577 61 V 4.5497 8.1152 119.5275 61.1128 34.9634 174.4905 62 L 4.8730 8.6818 127.4896 54.7552 42.6841 177.0249 63 T 4.3998 8.7260 113.6328 60.4516 70.3752 175.9173 64 S 4.2104 8.5625 116.4606 61.3872 62.5046 176.4785 65 K 4.0209 8.0692 122.9474 59.4436 31.9846 178.9529 66 G 3.8607 8.1232 105.9430 47.6269 0.0000 175.9849 67 K 4.2497 8.6569 121.2783 59.3648 32.2089 179.5370 68 K 3.9762 8.3261 118.8647 59.5560 31.8903 179.5274 69 I 3.9122 7.7396 120.2677 64.2125 37.0058 178.6395 70 G 3.3100 8.2456 106.7895 47.6061 0.0000 175.5511 71 K 3.3805 7.5634 122.4065 58.9958 32.0767 179.0915 72 R 4.1457 7.8660 118.1007 59.3424 29.9684 179.0681 73 L 3.9605 8.2831 119.2507 57.7199 41.5092 179.7760 74 V 3.6043 7.9417 118.4067 66.0083 31.3987 177.4029 75 Y 4.0986 8.1994 119.3288 60.8719 38.6497 178.4360 76 R 3.6237 8.3639 119.1326 59.2419 30.1349 178.4793 77 H 3.9421 8.3449 118.1550 59.3309 29.9235 177.1271 78 E 3.9965 8.3698 120.5168 59.3644 29.2143 179.1363 79 L 3.8403 7.7825 120.4608 58.1293 42.0888 179.0748 80 L 4.0644 7.9469 118.9494 57.7764 41.4243 179.3604 81 E 3.9689 8.2184 118.7153 59.3605 29.3388 179.1429 82 Q 3.9361 8.2083 119.7128 58.9046 29.0782 177.9963 83 F 4.2659 8.5023 121.9211 61.5484 39.5101 177.2190 84 L 3.4065 7.8941 118.4692 57.3057 41.3201 179.6383 85 R 3.7666 8.0989 118.9633 59.5013 29.8700 178.5774 86 I 3.6394 7.7525 118.9131 64.0624 37.1559 177.5655 87 I 3.8765 7.0704 110.8409 60.8743 37.5985 176.5187 88 G 3.7970 7.5984 108.5155 45.5315 0.0000 174.1486 89 V 3.6237 7.3454 119.0405 62.0399 32.2265 175.7788 90 D 4.3590 8.6150 125.9451 54.6653 41.4487 176.8040 91 E 3.8919 9.1543 124.5529 59.8812 29.2643 179.0384 92 E 4.0650 8.1652 116.1762 58.6696 29.6236 178.4060 93 K 4.3258 8.1519 117.5320 57.2455 32.4476 178.8227 94 I 3.6967 7.4863 120.6908 64.4707 36.9825 177.2493 95 Y 4.1309 8.0982 119.6394 61.1506 38.4754 177.9598 96 N 4.1740 8.2629 116.5801 56.2612 38.5037 177.0946 97 D 4.2663 7.7895 120.2430 57.2800 40.8992 178.8720 98 V 3.4595 7.8273 118.8727 66.1237 31.2781 177.8180 99 E 4.0922 7.3334 118.6605 58.4841 29.2974 179.0391 100 G 3.8137 7.6777 104.0956 45.7494 0.0000 174.7806 101 I 4.4111 7.3997 114.0855 61.1699 38.6311 177.3608 102 E 3.7449 8.1383 119.4610 59.5162 29.2405 178.0759 103 H 4.6398 7.8272 113.0602 56.0796 28.9538 174.9527 104 H 4.8525 8.0465 115.4526 55.2276 29.3427 173.3649 105 L 4.6521 7.4946 119.5723 52.7636 43.6658 177.1888 106 S 4.3938 8.2094 117.4835 57.7884 65.2858 175.4830 107 W 4.0293 8.6628 122.3943 59.6922 28.7985 178.2355 108 N 4.3670 8.3291 116.7142 56.9845 38.4271 176.9217 109 S 4.1132 8.0698 116.4169 61.5481 62.8380 176.7292 110 I 3.6021 7.8351 122.4521 64.6482 36.8987 178.3211 111 D 4.5326 8.7476 120.0405 57.4514 40.6397 179.0980 112 R 4.0228 8.2313 118.6989 59.1061 29.9466 179.1081 113 I 3.7044 8.0221 120.1326 63.9676 36.9805 178.6430 114 G 3.6782 8.2509 106.9183 47.9861 0.0000 175.5689 115 D 4.4726 8.2054 121.3835 56.8522 40.8944 178.6465 116 L 4.0053 7.9835 121.0330 58.1904 42.1609 179.1806 117 V 3.8920 8.2239 118.4634 66.1934 31.3393 177.7866 118 Q 4.0496 8.3386 119.4019 59.1445 28.6469 177.3839 119 Y 4.0569 8.0612 120.1215 60.9953 39.2814 178.1357 120 F 4.1387 8.2549 117.8006 60.1325 38.8431 177.4455 121 E 4.2697 8.1281 117.4184 58.1482 29.4308 177.9094 122 E 4.5922 7.6476 116.1143 56.1185 30.5522 176.0439 123 D 4.3237 7.4819 119.5104 52.3826 42.7392 175.1174 124 D 4.4222 8.7939 128.0306 57.0446 40.6715 178.5269 125 A 4.0792 8.4264 121.6051 54.9253 18.2189 179.9020 126 R 3.9143 8.0652 117.0326 59.3404 30.0342 179.2961 127 K 4.0707 8.1659 117.8527 59.4896 32.0601 179.4165 128 K 3.9950 8.1844 118.7407 59.5828 31.8477 179.1879 129 D 4.3814 8.4744 119.4712 57.2497 40.5811 178.6438 130 L 4.0497 8.3287 121.0873 58.0086 42.0346 178.9171 131 K 3.9470 8.2905 119.8546 59.5791 32.1525 178.9813 132 S 4.1710 8.2812 115.7123 61.5980 62.4788 176.7167 133 I 3.7706 7.2886 121.9322 64.4564 36.8939 178.1808 134 Q 4.1323 7.6297 117.9880 58.7135 28.5213 178.7639 135 K 4.1189 7.5652 118.6835 59.2444 32.2378 177.7496 136 K 4.1740 7.7525 121.7041 56.9517 32.2465 176.5389 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 T 8.17 4.42 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 1.28 0.00 0.00 3 T 7.85 4.44 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 1.24 0.00 0.00 4 P 0.00 4.08 0.00 2.12 1.99 0.00 3.58 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 2.10 2.07 0.00 5 S 7.93 4.12 0.00 3.92 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 6 M 7.93 3.96 0.00 1.85 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 7 E 8.60 3.84 0.00 1.93 1.91 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 2.27 2.46 0.00 8 D 8.33 4.40 0.00 2.74 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 9 Y 8.33 3.87 0.00 3.29 2.97 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 10 I 8.07 3.80 1.96 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.96 0.00 0.00 11 E 8.71 3.95 0.00 2.06 2.22 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 2.35 2.36 0.00 12 Q 8.21 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 13 I 8.37 3.78 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 1.50 0.94 1.00 0.00 0.00 14 Y 8.55 4.04 0.00 3.18 3.18 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 15 M 8.34 4.11 0.00 2.14 2.25 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 3.02 2.72 0.00 16 L 8.04 3.91 0.00 1.84 1.81 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.74 3.57 1.83 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 1.52 0.92 0.82 0.00 0.00 18 E 7.74 3.82 0.00 1.95 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 1.72 2.09 0.00 19 E 8.27 4.00 0.00 1.84 2.03 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 2.21 2.28 0.00 20 K 8.35 4.11 0.00 1.16 0.74 0.00 1.52 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.20 7.81 21 G 8.83 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 22 Y 6.34 4.62 0.00 3.03 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 23 A 8.46 4.59 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 24 R 8.46 4.38 0.00 2.09 1.90 0.00 3.16 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 25 V 8.47 3.64 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 1.05 0.00 0.00 0.97 0.00 0.00 26 S 8.08 4.14 0.00 4.10 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 27 D 8.01 4.36 0.00 2.90 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 28 I 8.01 3.67 2.07 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 1.49 0.93 0.92 0.00 0.00 29 A 8.45 3.99 1.44 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 0.00 0.00 0.00 30 E 8.50 3.86 0.00 2.11 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 0.00 2.30 2.32 0.00 31 A 8.01 4.10 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 32 L 7.93 4.16 0.00 1.46 1.53 -0.22 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.47 3.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.56 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 0.81 0.00 0.00 1.02 0.00 0.00 35 H 8.52 4.46 0.00 3.22 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.31 0.00 2.25 2.26 0.00 3.19 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 37 S 7.91 4.17 0.00 4.12 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 0.00 38 S 8.11 4.19 0.00 4.18 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 0.00 39 V 7.75 3.85 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 1.34 0.00 0.00 1.06 0.00 0.00 40 T 8.02 3.86 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 41 K 7.87 3.88 0.00 1.83 1.96 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 42 M 7.81 3.78 0.00 1.57 1.32 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.81 0.00 43 V 7.98 3.57 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 1.10 0.00 0.00 1.02 0.00 0.00 44 Q 8.04 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 45 K 7.80 3.98 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.47 7.81 46 L 8.50 4.13 0.00 1.87 1.80 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.37 4.80 0.00 2.80 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.88 3.98 0.00 1.82 2.01 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 49 D 8.15 4.62 0.00 3.07 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 50 E 7.89 3.79 0.00 1.94 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 2.19 2.36 0.00 51 Y 8.29 4.32 0.00 3.24 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 52 L 7.50 5.04 0.00 2.07 1.85 1.04 0.56 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 53 I 8.12 4.47 1.90 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 1.25 0.57 0.93 0.00 0.00 *59 G 7.27 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 0.00 0.00 0.00 60 L 8.67 4.44 0.00 1.70 1.72 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.12 4.55 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 1.10 0.00 0.00 0.96 0.00 0.00 62 L 8.68 4.87 0.00 1.67 1.70 1.14 1.10 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 63 T 8.73 4.40 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 1.29 0.00 0.00 64 S 8.56 4.21 0.00 4.09 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 0.00 65 K 8.07 4.02 0.00 1.78 1.89 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.48 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.23 1.42 7.81 66 G 8.12 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 67 K 8.66 4.25 0.00 2.04 2.04 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.78 7.81 68 K 8.33 3.98 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.84 7.81 69 I 7.74 3.91 2.12 0.00 0.00 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 1.85 1.25 0.95 0.00 0.00 70 G 8.25 3.31 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 0.00 71 K 7.56 3.38 0.00 1.76 1.88 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.54 7.81 72 R 7.87 4.15 0.00 2.25 2.37 0.00 3.65 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 73 L 8.28 3.96 0.00 1.76 1.72 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.94 3.60 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 1.19 0.00 0.00 1.09 0.00 0.00 75 Y 8.20 4.10 0.00 3.20 3.31 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 76 R 8.36 3.62 0.00 1.91 1.75 0.00 2.25 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.84 0.00 77 H 8.34 3.94 0.00 3.46 3.43 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 78 E 8.37 4.00 0.00 2.09 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 2.57 2.51 0.00 79 L 7.78 3.84 0.00 1.15 1.45 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.95 4.06 0.00 1.76 1.68 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.22 3.97 0.00 2.19 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 2.30 2.47 0.00 82 Q 8.21 3.94 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 83 F 8.50 4.27 0.00 3.09 3.28 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 84 L 7.89 3.41 0.00 1.62 1.52 0.88 0.43 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 85 R 8.10 3.77 0.00 1.93 2.06 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 86 I 7.75 3.64 1.96 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 1.55 0.85 0.59 0.00 0.00 87 I 7.07 3.88 1.64 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.20 0.62 0.00 0.00 88 G 7.60 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 0.00 0.00 0.00 89 V 7.35 3.62 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 0.80 0.00 0.00 90 D 8.62 4.36 0.00 2.75 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 91 E 9.15 3.89 0.00 2.05 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 2.37 2.48 0.00 92 E 8.17 4.07 0.00 1.97 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 2.31 2.39 0.00 93 K 8.15 4.33 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 94 I 7.49 3.70 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.91 0.00 0.00 95 Y 8.10 4.13 0.00 3.05 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 96 N 8.26 4.17 0.00 2.79 2.84 0.00 0.00 7.04 8.08 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 97 D 7.79 4.27 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.83 3.46 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 0.78 0.00 0.00 0.85 0.00 0.00 99 E 7.33 4.09 0.00 1.82 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 1.51 1.47 0.00 100 G 7.68 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 0.00 101 I 7.40 4.41 1.85 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 1.82 0.84 0.91 0.00 0.00 102 E 8.14 3.74 0.00 1.93 2.16 0.00 0.00 0.00 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 1.67 0.00 103 H 7.83 4.64 0.00 2.96 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.05 4.85 0.00 3.06 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.49 4.65 0.00 1.45 1.43 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.21 4.39 0.00 4.09 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 0.00 107 W 8.66 4.03 0.00 3.47 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 0.00 108 N 8.33 4.37 0.00 2.89 2.86 0.00 0.00 7.24 7.63 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 0.00 109 S 8.07 4.11 0.00 4.01 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 0.00 110 I 7.84 3.60 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.28 0.96 0.00 0.00 111 D 8.75 4.53 0.00 2.84 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 0.00 112 R 8.23 4.02 0.00 1.93 1.94 0.00 3.28 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 113 I 8.02 3.70 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.48 0.41 0.00 0.00 114 G 8.25 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 0.00 0.00 0.00 115 D 8.21 4.47 0.00 2.89 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 0.00 116 L 7.98 4.01 0.00 1.89 1.94 1.09 0.92 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 0.00 117 V 8.22 3.89 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 1.05 0.00 0.00 1.12 0.00 0.00 118 Q 8.34 4.05 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 8.06 4.06 0.00 2.92 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 0.00 120 F 8.25 4.14 0.00 3.33 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 0.00 121 E 8.13 4.27 0.00 2.15 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 0.00 2.67 2.53 0.00 122 E 7.65 4.59 0.00 2.02 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 2.50 2.17 0.00 123 D 7.48 4.32 0.00 2.61 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 0.00 0.00 0.00 0.00 124 D 8.79 4.42 0.00 2.80 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 0.00 125 A 8.43 4.08 1.38 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 0.00 126 R 8.07 3.91 0.00 1.90 1.82 0.00 2.55 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 127 K 8.17 4.07 0.00 2.01 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.61 1.79 7.81 128 K 8.18 4.00 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 129 D 8.47 4.38 0.00 2.92 2.79 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 0.00 130 L 8.33 4.05 0.00 1.99 1.88 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.29 3.95 0.00 2.05 1.94 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 132 S 8.28 4.17 0.00 4.11 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 0.00 133 I 7.29 3.77 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.93 0.00 0.00 134 Q 7.63 4.13 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 135 K 7.57 4.12 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.62 7.81 136 K 7.75 4.17 0.00 1.94 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.63 7.81 * Residues marked with a * may have inaccurate shift predictions.