NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3576 8.3349 115.4121 57.7112 65.2501 172.7889 3 N 4.7580 7.7931 119.5874 51.9424 41.0543 171.9488 4 T 4.7643 8.9028 116.9780 62.7754 71.4756 174.4138 5 L 4.8502 8.0284 117.7373 54.2616 44.7121 176.2415 6 F 4.8242 7.7771 118.6057 57.5023 42.7167 172.0497 7 D 4.8510 7.3251 124.2751 52.9563 44.2262 173.4709 8 D 4.3140 7.8951 122.7061 54.1945 46.1118 174.3714 9 I 5.2313 7.6218 121.1130 59.6802 40.9370 175.0234 10 F 6.0079 9.8012 123.3739 54.8443 44.1629 173.5922 11 Q 5.4208 8.5003 120.0583 53.1590 31.2514 173.6861 12 V 3.6861 8.7439 127.7170 63.5858 31.7769 176.3600 13 S 4.5451 9.1921 124.8342 61.3516 63.5467 174.3549 14 E 4.7537 7.7813 117.4070 55.1145 32.7426 174.2824 15 V 4.5675 8.4913 124.7787 61.1258 33.9834 174.2382 16 D 4.7868 8.9408 127.0594 52.1858 43.8789 172.5760 17 P 5.0227 0.0000 0.0000 61.3797 30.9835 174.4578 18 G 3.6413 8.4092 115.7164 45.8485 0.0000 170.7207 19 R 3.7877 8.2332 125.9911 57.2443 27.6679 176.7611 20 Y 5.0242 7.6048 115.9658 55.8135 38.2822 175.9234 21 N 4.4102 8.8526 122.6453 55.7806 37.5555 176.1861 22 K 4.7135 7.7901 114.5891 55.4303 34.6851 175.7102 23 V 4.7600 7.5521 117.4285 62.2543 34.8375 172.4987 24 C 5.2327 9.3130 124.4836 58.0269 32.7729 172.5791 25 R 4.9292 8.6119 121.3163 55.0633 31.6496 175.1333 26 I 5.1001 9.6380 126.8629 59.5661 41.2929 174.4425 27 E 5.6382 9.0522 123.1625 53.7055 33.0195 174.7767 28 A 5.3660 8.6427 124.6912 50.2012 23.7016 173.8035 29 A 5.0049 8.5871 119.8610 50.4709 22.5037 175.4322 30 S 4.3846 8.0676 112.4873 56.5271 63.7113 175.0857 31 T 4.4748 7.3675 124.0952 61.7464 68.7454 173.4897 32 T 4.3536 7.6579 124.3442 64.0406 76.4400 176.4776 33 Q 4.2639 9.0386 126.2192 56.4691 30.3124 176.0532 34 D 4.5835 8.6649 120.8513 54.9792 40.8390 176.8469 35 Q 4.3605 7.8535 119.6476 57.6023 30.3680 175.9795 36 C 5.2372 7.8210 120.2066 59.4704 31.2676 172.6378 37 K 4.7940 8.4157 124.8220 54.6348 35.1864 174.8131 38 L 5.0018 8.6729 122.4168 53.9655 46.0978 175.0431 39 T 5.0058 8.6128 121.0892 61.7870 71.8313 172.7171 40 L 5.0060 9.4017 128.8848 53.5646 45.9769 174.6934 41 D 4.8215 8.7424 125.7893 54.3825 41.9182 175.9050 42 I 4.6046 9.1023 121.6393 60.1006 42.3019 174.0668 43 N 4.8705 10.0353 125.0666 52.7484 38.7592 174.7993 44 V 4.1948 7.8377 125.0431 62.9924 31.3660 176.2778 45 E 4.5954 8.6297 118.4694 55.0785 31.0691 176.1682 46 L 4.6442 7.2439 115.4640 54.2295 42.9351 176.5050 47 F 4.7974 7.3824 115.4944 56.7566 40.6501 171.2216 48 P 4.2788 0.0000 0.0000 62.6018 32.1883 176.5136 49 V 4.0815 7.8785 119.0344 61.8530 34.2600 173.2052 50 A 4.7312 8.1546 129.2798 49.6449 21.5168 175.4051 51 A 3.8040 8.4025 121.1859 53.5961 18.7399 176.8672 52 Q 3.4583 9.8390 123.4069 56.3725 26.2225 172.5653 53 D 4.9118 7.9598 119.9595 52.5194 46.1382 174.7065 54 S 5.1501 8.7928 116.6207 57.3491 63.1908 172.8810 55 L 5.0114 8.7773 126.6801 53.7241 44.6786 176.0437 56 T 5.1346 8.1619 118.9221 62.0130 70.3432 173.3467 57 V 4.7792 8.6090 127.0256 62.1568 32.7825 175.0632 58 T 5.3942 8.3751 122.2044 62.1053 73.5186 175.2554 59 I 4.7326 8.5719 121.4361 60.0782 37.7791 178.2379 60 A 3.6721 9.5223 135.0000 52.3078 18.2372 177.9153 61 S 4.3839 8.5381 111.4644 58.2477 64.0942 173.8949 62 S 4.4013 8.2626 119.3360 60.3453 66.5494 178.1708 63 L 3.2533 7.1468 118.1933 57.1688 37.9908 177.3969 *76 T 4.1168 7.3183 110.4873 63.5426 70.1312 172.3663 77 R 4.0314 8.0640 125.2627 54.8908 30.5598 177.1756 78 S 4.2665 8.6023 115.2995 58.2634 63.3818 173.8518 79 W 4.3321 8.8662 133.8682 57.2194 31.0530 175.8709 80 R 4.0452 7.7641 124.6736 54.5722 31.4611 177.1194 81 P 4.2130 0.0000 0.0000 61.0356 32.2576 174.3129 82 P 4.1575 0.0000 0.0000 64.2112 29.8585 178.0170 83 Q 3.5648 9.7783 119.8942 57.4584 28.0928 176.4041 84 A 4.2021 7.6767 115.8803 52.6738 17.8110 179.4170 85 G 3.3955 9.0428 111.6115 49.4015 0.0000 174.1207 86 D 4.8863 7.4574 118.0679 53.4794 41.2810 173.2840 87 R 4.6868 7.4493 117.2278 54.3997 34.5540 175.5608 88 S 4.3512 8.4041 112.4324 59.7605 63.3509 174.9172 89 L 4.6292 7.8822 119.3735 54.1087 43.3443 177.1375 90 A 4.4312 8.0169 120.9846 52.4233 18.0209 177.6604 91 D 5.0847 9.1978 118.5302 55.2132 39.8931 178.1141 92 D 4.8850 8.4431 117.9410 55.7665 40.3043 175.4683 93 Y 4.8903 8.9551 120.1373 56.9023 40.9579 175.6577 94 D 4.9533 9.4308 122.5125 54.3979 43.7788 175.4554 95 Y 4.3023 7.4889 117.9450 57.0263 41.7541 173.2862 96 V 4.7255 8.6268 126.8501 60.7779 33.8234 174.1968 97 M 4.7072 8.1051 128.9315 55.0033 35.2376 174.0130 98 Y 5.1530 8.1983 117.0659 58.3234 41.3139 174.3200 99 G 3.3630 8.4428 114.8503 46.1092 0.0000 171.8853 100 T 5.1424 9.5073 120.3057 60.9558 73.7767 172.5842 101 A 4.7044 8.3131 124.2170 49.6945 20.0812 176.4696 102 Y 4.5471 8.7488 119.3625 57.5265 40.0194 175.3963 103 K 4.7148 7.3331 119.8052 55.2294 36.2699 174.7608 104 F 4.5682 8.8645 122.5290 55.5520 39.7347 174.4222 105 E 4.3575 8.8741 124.7894 55.5721 31.6773 174.7979 106 E 4.7374 8.5327 122.8751 54.2809 30.7166 176.0727 107 V 3.9575 8.3912 125.5677 63.5985 29.4622 175.6171 108 S 3.2091 9.2173 117.6654 58.7150 64.3120 173.2545 109 K 3.7544 8.1744 117.4578 57.7329 31.0371 174.1855 110 D 4.7258 8.4468 114.5472 54.6158 40.0083 176.3475 111 L 4.7887 7.9012 120.6996 54.5780 43.4635 176.3420 112 I 4.7424 8.2903 124.7178 59.4014 39.7847 174.7711 113 A 5.2844 8.4540 127.2699 49.2024 22.4082 175.0152 114 V 4.3182 8.0056 114.9026 59.6662 34.7416 174.4640 115 Y 4.8820 8.3382 121.3449 56.9795 40.0807 174.3564 116 Y 4.9734 9.2710 119.6304 56.4551 42.5718 174.4471 117 S 5.1503 9.6299 117.5134 56.8884 66.4711 172.6930 118 F 4.4722 9.7896 126.4339 55.6503 40.4527 174.7065 119 G 4.0001 9.3643 109.6326 45.1408 0.0000 170.8171 120 G 3.3133 6.6411 111.8675 44.8794 0.0000 174.2132 121 L 4.5133 8.3893 122.9291 53.6944 43.0203 177.0923 122 L 5.5925 10.0445 126.0999 54.2972 44.1710 175.3514 123 M 4.9861 8.2149 115.4061 55.1864 35.6353 173.2384 124 R 4.5359 9.3793 126.0248 54.2699 33.5486 173.5127 125 L 4.9120 8.1699 127.7492 53.1110 45.3354 174.5672 126 E 4.8352 9.3246 123.8145 52.3133 33.7821 175.4461 127 G 4.5598 7.7778 114.7450 45.4652 0.0000 173.8446 128 N 5.0122 7.8775 134.5549 53.8066 39.9370 173.5779 129 Y 4.6989 7.3451 114.0163 57.9885 38.8752 175.4280 130 R 4.7291 7.5330 119.7422 56.4441 30.8036 178.0842 131 N 4.3495 8.5257 117.9006 56.1318 38.6550 175.9817 132 L 4.8700 7.9097 113.8762 54.3691 43.5516 176.1941 133 N 4.6654 8.4122 116.2497 55.0118 39.6969 175.3568 134 N 4.5089 8.0603 120.2073 52.9997 38.4286 174.5453 135 L 4.4303 8.4061 126.7704 54.8742 42.5548 177.4696 136 K 4.7843 8.4597 116.9200 56.6599 33.0058 176.4554 137 Q 4.3784 7.8472 118.3705 54.4882 29.6831 175.0558 138 E 3.8839 8.5705 119.1826 59.0737 30.0645 175.5376 139 N 4.2541 7.0546 114.3667 50.1208 39.1828 174.4732 140 A 5.2175 8.1935 127.8723 52.3826 21.8831 173.9851 141 Y 4.8094 8.3749 119.9230 57.6962 39.6366 175.7972 142 L 4.5605 8.6956 126.6381 54.8414 44.3786 175.1418 143 L 5.1776 7.9724 119.8857 53.7897 46.3157 175.0774 144 I 5.4228 8.4929 120.4844 60.4361 41.7280 173.9230 145 R 4.7979 8.5525 119.8439 56.0843 32.9528 175.3000 146 R 4.3164 9.0547 119.7603 56.8952 30.5285 176.1567 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 4.36 0.00 3.98 4.02 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 3 N 7.79 4.76 0.00 2.85 2.81 0.00 0.00 6.94 6.17 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 4 T 8.90 4.76 4.28 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 1.27 0.00 0.00 5 L 8.03 4.85 0.00 1.76 1.73 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.78 4.82 0.00 3.10 2.89 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 7 D 7.33 4.85 0.00 2.59 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 0.00 0.00 0.00 0.00 8 D 7.90 4.31 0.00 2.52 2.30 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 9 I 7.62 5.23 1.82 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 1.27 1.07 1.04 0.00 0.00 10 F 9.80 6.01 0.00 2.86 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 11 Q 8.50 5.42 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 12 V 8.74 3.69 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 0.98 0.00 0.00 0.98 0.00 0.00 13 S 9.19 4.55 0.00 3.89 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 14 E 7.78 4.75 0.00 2.02 1.77 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 2.22 2.24 0.00 15 V 8.49 4.57 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 0.85 0.00 0.00 1.03 0.00 0.00 16 D 8.94 4.79 0.00 2.82 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 5.02 0.00 2.13 2.09 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 18 G 8.41 3.64 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 0.00 19 R 8.23 3.79 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 20 Y 7.60 5.02 0.00 2.95 2.93 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 21 N 8.85 4.41 0.00 2.73 2.92 0.00 0.00 6.96 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 7.79 4.71 0.00 1.60 1.70 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.38 7.81 23 V 7.55 4.76 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 0.71 0.00 0.00 0.93 0.00 0.00 24 C 9.31 5.23 0.00 2.90 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 25 R 8.61 4.93 0.00 2.07 1.81 0.00 3.06 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 26 I 9.64 5.10 1.87 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 1.42 0.93 0.90 0.00 0.00 27 E 9.05 5.64 0.00 1.84 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 2.20 2.07 0.00 28 A 8.64 5.37 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 29 A 8.59 5.00 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 30 S 8.07 4.38 0.00 3.66 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 T 7.37 4.47 4.14 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 1.17 0.00 0.00 32 T 7.66 4.35 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 1.14 0.00 0.00 33 Q 9.04 4.26 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.19 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 34 D 8.66 4.58 0.00 2.68 2.68 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 35 Q 7.85 4.36 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 36 C 7.82 5.24 0.00 3.08 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 37 K 8.42 4.79 0.00 1.74 1.72 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.67 7.81 38 L 8.67 5.00 0.00 1.62 1.42 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.61 5.01 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 1.27 0.00 0.00 40 L 9.40 5.01 0.00 1.50 1.29 0.80 -0.24 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 41 D 8.74 4.82 0.00 2.70 2.62 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 0.00 0.00 0.00 0.00 42 I 9.10 4.60 1.94 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 0.71 0.39 1.33 0.00 0.00 43 N 10.04 4.87 0.00 2.78 2.65 0.00 0.00 6.98 7.91 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 44 V 7.84 4.19 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 0.76 0.00 0.00 1.07 0.00 0.00 45 E 8.63 4.60 0.00 1.90 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 2.18 2.22 0.00 46 L 7.24 4.64 0.00 1.42 1.51 0.82 0.62 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 47 F 7.38 4.80 0.00 2.69 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 48 P 0.00 4.28 0.00 1.92 1.89 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 49 V 7.88 4.08 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 0.78 0.00 0.00 50 A 8.15 4.73 1.21 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 0.00 0.00 0.00 51 A 8.40 3.80 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 52 Q 9.84 3.46 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 7.96 4.91 0.00 2.57 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 54 S 8.79 5.15 0.00 3.91 3.94 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 55 L 8.78 5.01 0.00 1.77 1.73 1.08 1.06 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 56 T 8.16 5.13 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 1.32 0.00 0.00 57 V 8.61 4.78 2.36 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 1.24 0.00 0.00 0.64 0.00 0.00 58 T 8.38 5.39 4.10 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 1.34 0.00 0.00 59 I 8.57 4.73 1.96 0.00 0.00 0.41 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 1.41 0.93 0.00 0.00 60 A 9.52 3.67 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 61 S 8.54 4.38 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 62 S 8.26 4.40 0.00 4.00 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 0.00 63 L 7.15 3.25 0.00 1.66 1.70 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.32 4.12 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 1.30 0.00 0.00 77 R 8.06 4.03 0.00 2.03 1.99 0.00 3.25 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 78 S 8.60 4.27 0.00 4.07 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 79 W 8.87 4.33 0.00 3.35 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 80 R 7.76 4.05 0.00 1.52 1.54 0.00 3.17 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 81 P 0.00 4.21 0.00 1.89 1.70 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 82 P 0.00 4.16 0.00 2.16 1.83 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 83 Q 9.78 3.56 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.18 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 84 A 7.68 4.20 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 85 G 9.04 3.40 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 0.00 86 D 7.46 4.89 0.00 2.42 2.55 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 0.00 0.00 0.00 0.00 87 R 7.45 4.69 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 88 S 8.40 4.35 0.00 3.96 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 89 L 7.88 4.63 0.00 1.71 1.95 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.02 4.43 1.21 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 0.00 0.00 0.00 91 D 9.20 5.08 0.00 2.75 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 92 D 8.44 4.88 0.00 2.72 2.62 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 0.00 0.00 0.00 0.00 93 Y 8.96 4.89 0.00 2.72 3.20 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 94 D 9.43 4.95 0.00 2.37 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 95 Y 7.49 4.30 0.00 2.03 2.17 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 96 V 8.63 4.73 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 1.42 0.00 0.00 0.97 0.00 0.00 97 M 8.11 4.71 0.00 1.93 1.46 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 98 Y 8.20 5.15 0.00 2.33 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 99 G 8.44 3.36 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 0.00 100 T 9.51 5.14 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 1.10 0.00 0.00 101 A 8.31 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.75 4.55 0.00 3.06 2.87 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 0.00 103 K 7.33 4.71 0.00 1.68 1.37 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.48 7.81 104 F 8.86 4.57 0.00 2.81 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 0.00 105 E 8.87 4.36 0.00 2.09 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 2.34 2.32 0.00 106 E 8.53 4.74 0.00 1.87 1.88 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 2.23 2.31 0.00 107 V 8.39 3.96 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 0.76 0.00 0.00 0.94 0.00 0.00 108 S 9.22 3.21 0.00 4.12 4.02 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 0.00 109 K 8.17 3.75 0.00 1.87 1.86 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.45 4.73 0.00 2.80 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 0.00 111 L 7.90 4.79 0.00 2.07 1.63 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.29 4.74 1.86 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 1.20 0.97 0.89 0.00 0.00 113 A 8.45 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 4.32 1.68 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 -0.46 0.00 0.00 0.69 0.00 0.00 115 Y 8.34 4.88 0.00 2.18 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 0.00 0.00 0.00 0.00 116 Y 9.27 4.97 0.00 2.91 2.92 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 0.00 117 S 9.63 5.15 0.00 3.54 3.36 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 0.00 118 F 9.79 4.47 0.00 2.94 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 0.00 119 G 9.36 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 0.00 0.00 0.00 120 G 6.64 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 0.00 121 L 8.39 4.51 0.00 1.64 1.62 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 L 10.04 5.59 0.00 1.74 1.88 1.07 0.78 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 0.00 123 M 8.21 4.99 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 124 R 9.38 4.54 0.00 1.45 1.49 0.00 2.91 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 125 L 8.17 4.91 0.00 1.40 1.08 0.69 -0.30 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 9.32 4.84 0.00 2.00 1.66 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 2.14 2.14 0.00 127 G 7.78 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.88 5.01 0.00 2.79 2.85 0.00 0.00 6.78 7.54 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 0.00 129 Y 7.35 4.70 0.00 3.06 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 0.00 130 R 7.53 4.73 0.00 1.98 2.15 0.00 3.02 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 131 N 8.53 4.35 0.00 2.78 2.97 0.00 0.00 6.92 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 0.00 132 L 7.91 4.87 0.00 1.63 1.66 0.96 1.01 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 0.00 133 N 8.41 4.67 0.00 2.85 3.14 0.00 0.00 6.83 7.80 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 0.00 134 N 8.06 4.51 0.00 2.72 2.86 0.00 0.00 6.99 7.78 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 0.00 135 L 8.41 4.43 0.00 1.80 1.73 0.99 0.94 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 0.00 136 K 8.46 4.78 0.00 1.52 1.32 0.00 1.49 0.00 0.00 1.11 0.00 0.00 2.64 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.47 1.28 7.81 137 Q 7.85 4.38 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 138 E 8.57 3.88 0.00 1.97 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 2.46 2.24 0.00 139 N 7.05 4.25 0.00 2.88 2.86 0.00 0.00 6.72 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 8.19 5.22 1.68 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 0.00 141 Y 8.37 4.81 0.00 2.87 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 0.00 142 L 8.70 4.56 0.00 1.86 1.34 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.97 5.18 0.00 1.05 0.13 0.83 -0.39 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 0.00 144 I 8.49 5.42 1.55 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 0.87 1.51 0.92 0.00 0.00 145 R 8.55 4.80 0.00 1.77 1.83 0.00 2.76 0.00 0.00 2.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 146 R 9.05 4.32 0.00 2.09 2.09 0.00 3.20 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.