NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2160 8.1727 122.0595 56.3219 34.1634 174.0626 2 V 4.6348 8.2350 126.7350 60.9406 32.2379 174.6346 3 F 4.5444 9.6475 128.0510 57.3079 40.4216 175.1070 4 G 4.0054 8.6989 107.2964 45.2245 0.0000 174.7728 5 R 3.4803 8.8833 120.7758 59.8714 30.1047 179.7341 6 C 4.3537 8.0970 115.4332 59.6706 39.7361 175.6812 7 E 3.8948 8.0788 120.7381 59.2124 29.3306 178.4736 8 L 3.4894 8.2475 120.5965 57.7306 41.8074 178.5506 9 A 3.8858 7.7095 119.5872 55.2022 18.7387 179.1645 10 A 4.0310 7.9093 118.7438 55.3661 18.2854 179.7745 11 A 4.0128 7.8511 117.8763 54.7555 18.4893 178.6577 12 M 4.2405 7.7213 116.0329 55.3983 32.4849 178.3408 13 K 3.8191 7.8035 122.3794 59.2671 31.9113 178.7203 *16 G 3.8149 7.9018 105.5115 44.8349 0.0000 173.0433 17 L 3.9051 7.4753 119.2359 54.3648 42.2564 175.6502 18 D 4.5103 7.5672 119.3203 55.6052 41.2476 175.5318 19 N 4.4552 9.4872 122.9837 53.7988 37.0813 173.3718 20 Y 4.2740 8.3190 121.5960 58.7304 38.9642 176.1836 21 R 3.6825 8.9581 125.2560 57.2858 27.6151 177.1448 22 G 3.6826 8.2968 104.2035 45.7637 0.0000 173.7146 23 Y 4.4940 7.9917 118.7868 55.7525 38.3426 175.7948 24 S 4.6814 8.5471 120.0211 57.8954 64.1596 174.9582 25 L 4.2968 8.7978 123.3120 58.7447 41.6443 179.6522 26 G 3.9362 8.3880 104.9046 48.0098 0.0000 175.1595 27 N 4.4638 8.3165 118.5763 56.1491 38.4971 177.5571 28 W 3.8405 7.8357 119.8273 59.5063 29.2068 178.7244 29 V 3.5115 7.8014 118.1173 65.9021 31.0099 177.2841 30 C 2.4500 7.9123 118.0126 58.9206 44.3538 175.3303 31 A 3.8921 7.7979 122.0048 55.1376 17.8657 179.3376 32 A 4.0156 7.9058 119.2999 55.1349 18.4303 179.5482 33 K 2.6237 7.7306 117.9345 59.5201 31.9051 178.8884 34 F 4.5819 7.1155 115.3234 59.4594 38.9501 177.3341 35 E 4.3832 8.1724 118.4598 58.1454 29.9006 177.2854 36 S 4.5728 7.9777 109.8155 56.5856 64.3919 173.4371 37 N 3.8119 8.6306 118.3256 54.9230 37.5492 174.1100 38 F 4.1267 8.0920 110.7970 57.9040 36.7042 173.8649 39 N 5.2979 7.9264 120.8532 52.0489 39.3232 176.0347 40 T 4.1380 9.1029 117.6311 64.3062 69.0359 175.6463 41 Q 4.3897 8.3124 119.2009 55.5967 29.3215 175.6073 42 A 4.3673 7.7888 122.1164 52.4348 19.4107 177.0444 43 T 5.0136 8.2819 110.5144 60.2798 72.4615 173.1486 44 N 4.9285 8.5608 120.1722 51.9566 43.2561 173.6890 45 R 4.5581 8.6536 124.3370 56.0344 31.4088 175.2035 46 N 4.9531 9.1493 122.9412 51.7093 41.1041 176.1999 47 T 3.8702 8.6546 117.4222 66.9569 68.5711 175.4526 48 D 4.4471 7.9574 117.9020 54.1720 39.6331 176.8317 49 G 3.9677 8.1097 109.2952 45.1731 0.0000 174.0092 50 S 4.6311 8.0504 114.6617 58.2832 65.1358 173.2203 51 T 5.0171 8.9154 115.6955 61.9330 72.7608 172.9168 52 D 5.3918 9.1231 124.7715 53.2153 43.2574 175.0965 53 Y 4.9347 8.9716 120.5370 57.3741 41.6735 177.4408 54 G 4.1649 8.9320 112.3059 44.8728 0.0000 173.2408 55 I 3.7988 8.4638 116.9063 62.8391 37.7296 177.1157 56 L 4.5865 7.9626 116.1985 53.5283 42.5095 176.2062 57 Q 3.4844 8.0552 116.8616 57.0791 26.7668 174.5439 58 I 4.1214 7.9724 118.8540 61.1080 39.0357 176.9484 59 N 5.3488 9.1405 126.4929 53.5348 39.2185 175.8005 60 S 4.5618 9.4280 120.9807 60.9897 63.9196 176.2231 61 R 3.7924 8.8162 121.6610 58.2720 30.5287 178.0553 62 W 4.1109 7.8265 113.8670 57.3916 31.5415 177.2829 63 W 4.9406 8.0907 117.4017 57.8436 29.3704 173.5874 64 C 5.4783 7.8999 110.3531 53.8664 44.2421 172.2274 65 N 4.8813 8.8822 119.3853 52.0717 39.5417 174.6909 66 D 4.7408 8.5373 123.1734 52.3451 40.2689 176.4860 67 G 3.9639 8.5307 106.9546 46.4489 0.0000 174.7350 68 R 4.6582 8.4655 112.6421 56.1456 30.2647 175.8553 69 T 4.4526 7.5975 117.0105 60.7101 68.5564 170.5098 70 P 4.1880 0.0000 0.0000 63.8300 32.0073 176.6051 71 G 3.7675 8.6481 109.9388 46.4319 0.0000 173.5840 72 S 4.3104 7.3219 113.2135 56.6425 64.6838 173.3746 73 R 4.3889 7.9888 120.6360 54.9498 32.3459 176.3468 74 N 5.0312 7.9408 114.4976 52.1319 38.7415 174.9859 75 L 4.0025 8.5836 120.4517 57.8970 42.3719 178.3637 76 C 4.6242 8.5475 113.4852 56.2529 41.0732 172.9934 77 N 4.1796 8.2348 117.3591 53.4455 36.1589 173.3618 78 I 4.6004 7.9597 110.1824 58.8649 41.5484 173.1905 79 P 4.7325 0.0000 0.0000 62.3283 32.1124 178.5674 80 C 4.0817 8.8223 120.2777 59.8829 39.8230 176.7346 81 S 3.8836 7.9157 115.1937 61.2631 62.4907 176.2410 82 A 4.0878 8.0184 124.2221 54.5047 17.7061 178.6160 83 L 4.2816 8.0231 116.2422 55.7158 41.7542 177.9470 84 L 5.4004 7.5625 117.6126 54.0008 42.4473 176.9743 85 S 4.3243 7.3294 113.2445 58.1346 62.7772 174.4224 86 S 4.2427 8.5537 119.3597 60.5795 63.1698 173.7860 87 D 4.6517 8.1120 121.8192 53.3536 41.1466 176.2185 88 I 4.1696 8.3860 119.9192 61.4604 37.9548 177.2122 89 T 3.7610 8.1082 119.3516 67.2598 68.3632 175.7548 90 A 3.9951 7.9850 121.6530 55.4417 18.3316 179.7429 91 S 4.0887 7.9481 113.0653 61.5536 63.0932 176.9445 92 V 3.2776 7.9296 121.2100 66.0508 30.9163 177.8716 93 N 4.1898 8.4795 116.5830 56.3802 38.3349 176.6597 94 C 4.0862 8.2837 119.7244 59.4157 42.0877 175.2838 95 A 4.0467 8.1235 122.6124 55.2393 17.6725 179.6674 96 K 3.6176 7.4084 115.6645 59.5009 32.1821 179.4068 97 K 4.1926 7.4532 118.3928 59.2784 31.8905 179.4651 98 I 2.7955 7.3383 120.2749 64.0920 36.6674 178.9576 99 V 3.7123 8.3325 119.8060 64.2879 31.3692 177.5363 100 S 4.5728 7.7981 114.9941 59.3548 62.8764 174.7171 101 D 4.6861 7.9417 120.2042 54.6689 40.9891 175.2976 102 G 4.0500 7.1858 108.2995 46.8650 0.0000 174.8748 103 N 4.7138 8.4198 114.9991 51.8574 39.7698 175.9529 104 G 3.8582 7.7960 107.6875 45.7847 0.0000 175.4442 105 M 4.0687 7.8571 120.2552 56.3775 31.7773 177.7788 106 N 4.7928 7.7994 116.2483 55.3593 38.8005 176.1712 107 A 3.8355 7.4446 119.5956 53.6337 18.6631 177.8023 108 W 4.5930 8.1860 117.1984 54.9137 30.1047 177.1414 109 V 3.6965 8.5160 125.3975 65.0541 30.7159 178.0986 110 A 4.0071 8.3907 121.2903 54.2634 18.1394 179.4730 111 W 3.9611 8.2976 126.5017 60.7011 30.7304 177.8359 112 R 3.6293 8.2476 117.2724 59.4796 29.5750 177.5471 113 N 4.5778 8.2972 114.2350 54.2198 39.0241 175.8972 114 R 4.4769 8.0993 115.9302 55.3783 32.6212 174.9621 115 C 4.7700 7.6410 114.1871 57.7625 42.7062 174.3389 116 K 3.2354 6.9142 120.5198 57.7374 31.6869 176.5388 117 G 3.8257 8.8578 113.5162 45.9886 0.0000 172.4410 118 T 4.5065 7.4270 109.0575 59.2254 71.2826 174.3816 119 D 4.6421 8.2275 121.0899 53.3542 39.7553 176.6856 120 V 4.2078 8.1773 118.8779 63.0304 32.4311 178.3882 121 Q 4.0439 7.8072 120.3303 59.1548 28.5828 178.0250 122 A 4.0206 8.0122 121.7874 54.6861 18.0813 179.2531 123 W 4.3554 8.2633 116.5258 58.3427 29.4403 176.9009 124 I 4.5605 7.6702 111.9289 60.0043 37.5541 175.4199 125 R 4.0652 7.5614 118.0251 57.9998 29.3912 177.4650 126 G 3.9635 8.8325 108.5588 45.8288 0.0000 174.0586 127 C 4.4400 7.7639 117.4859 56.0317 41.0060 173.6121 128 R 4.2389 8.4574 124.7820 55.5351 29.1370 176.0815 129 L 4.3082 8.3253 124.4777 54.8001 41.8944 176.8098 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 K 8.17 4.22 0.00 1.77 1.69 0.00 1.29 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.21 7.81 2 V 8.23 4.63 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 0.96 0.00 0.00 0.99 0.00 0.00 3 F 9.65 4.54 0.00 2.76 2.78 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 0.00 0.00 0.00 0.00 4 G 8.70 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 0.00 0.00 0.00 5 R 8.88 3.48 0.00 2.14 2.04 0.00 3.66 0.00 0.00 3.74 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 6 C 8.10 4.35 0.00 3.01 3.12 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 7 E 8.08 3.89 0.00 2.07 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 2.64 2.42 0.00 8 L 8.25 3.49 0.00 1.28 1.27 0.06 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.71 3.89 1.35 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 0.00 0.00 0.00 10 A 7.91 4.03 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 11 A 7.85 4.01 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 12 M 7.72 4.24 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 13 K 7.80 3.82 0.00 1.78 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.60 7.81 *16 G 7.90 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 17 L 7.48 3.91 0.00 1.00 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.57 4.51 0.00 2.65 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 19 N 9.49 4.46 0.00 3.04 2.97 0.00 0.00 6.22 7.07 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 20 Y 8.32 4.27 0.00 3.03 2.99 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 21 R 8.96 3.68 0.00 2.11 2.30 0.00 2.88 0.00 0.00 2.71 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 22 G 8.30 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 23 Y 7.99 4.49 0.00 3.34 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 24 S 8.55 4.68 0.00 4.10 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 25 L 8.80 4.30 0.00 2.03 1.82 0.97 1.65 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 26 G 8.39 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 0.00 0.00 0.00 27 N 8.32 4.46 0.00 2.68 2.47 0.00 0.00 6.95 7.83 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 28 W 7.84 3.84 0.00 3.39 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 29 V 7.80 3.51 2.14 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 1.13 0.00 0.00 0.98 0.00 0.00 30 C 7.91 2.45 0.00 2.33 2.98 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 0.00 0.00 0.00 31 A 7.80 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.91 4.02 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 33 K 7.73 2.62 0.00 0.85 0.74 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.61 0.50 7.81 34 F 7.12 4.58 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 35 E 8.17 4.38 0.00 2.04 2.11 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 2.56 2.60 0.00 36 S 7.98 4.57 0.00 4.14 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 0.00 37 N 8.63 3.81 0.00 2.81 2.89 0.00 0.00 7.16 6.64 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 38 F 8.09 4.13 0.00 3.35 3.16 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 0.00 0.00 0.00 39 N 7.93 5.30 0.00 2.90 2.89 0.00 0.00 6.97 7.19 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 40 T 9.10 4.14 4.48 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 1.59 0.00 0.00 41 Q 8.31 4.39 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 42 A 7.79 4.37 1.30 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 0.00 0.00 43 T 8.28 5.01 3.96 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 1.26 0.00 0.00 44 N 8.56 4.93 0.00 2.71 2.68 0.00 0.00 6.70 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 45 R 8.65 4.56 0.00 1.77 1.80 0.00 3.49 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 46 N 9.15 4.95 0.00 2.87 2.73 0.00 0.00 6.87 6.94 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 47 T 8.65 3.87 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 1.22 0.00 0.00 48 D 7.96 4.45 0.00 2.77 2.80 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 49 G 8.11 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 0.00 0.00 0.00 50 S 8.05 4.63 0.00 4.00 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 51 T 8.92 5.02 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 0.60 0.00 0.00 52 D 9.12 5.39 0.00 2.64 2.65 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 53 Y 8.97 4.93 0.00 3.00 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 54 G 8.93 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.46 3.80 1.90 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 1.26 1.61 0.87 0.00 0.00 56 L 7.96 4.59 0.00 1.80 1.98 0.82 0.67 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 57 Q 8.06 3.48 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 58 I 7.97 4.12 2.04 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 1.19 0.92 1.07 0.00 0.00 59 N 9.14 5.35 0.00 3.02 3.04 0.00 0.00 6.97 7.88 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 60 S 9.43 4.56 0.00 4.04 4.45 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 61 R 8.82 3.79 0.00 1.81 2.00 0.00 2.87 0.00 0.00 2.82 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 62 W 7.83 4.11 0.00 2.19 1.74 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 63 W 8.09 4.94 0.00 3.53 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 64 C 7.90 5.48 0.00 3.15 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 65 N 8.88 4.88 0.00 2.77 2.67 0.00 0.00 7.12 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.54 4.74 0.00 2.78 2.52 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 67 G 8.53 3.96 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 0.00 0.00 0.00 68 R 8.47 4.66 0.00 1.90 1.95 0.00 3.04 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 69 T 7.60 4.45 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 1.15 0.00 0.00 70 P 0.00 4.19 0.00 1.99 1.96 0.00 3.75 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 2.01 2.07 0.00 71 G 8.65 3.77 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 0.00 0.00 0.00 72 S 7.32 4.31 0.00 3.96 3.77 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 73 R 7.99 4.39 0.00 1.73 1.78 0.00 3.01 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 1.39 1.10 0.00 74 N 7.94 5.03 0.00 2.70 2.61 0.00 0.00 6.86 6.66 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 75 L 8.58 4.00 0.00 1.67 1.90 0.44 0.82 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 76 C 8.55 4.62 0.00 3.35 3.21 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 77 N 8.23 4.18 0.00 2.84 2.85 0.00 0.00 6.71 8.31 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 78 I 7.96 4.60 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 1.48 0.48 0.98 0.00 0.00 79 P 0.00 4.73 0.00 2.15 1.95 0.00 3.58 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 2.08 2.07 0.00 80 C 8.82 4.08 0.00 1.97 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 81 S 7.92 3.88 0.00 4.04 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 0.00 82 A 8.02 4.09 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 83 L 8.02 4.28 0.00 1.93 1.81 1.03 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.56 5.40 0.00 1.81 1.79 1.08 0.92 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 85 S 7.33 4.32 0.00 3.98 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 86 S 8.55 4.24 0.00 3.98 3.98 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 0.00 0.00 0.00 87 D 8.11 4.65 0.00 2.66 2.64 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 88 I 8.39 4.17 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.89 0.00 0.00 89 T 8.11 3.76 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 1.21 0.00 0.00 90 A 7.99 4.00 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 91 S 7.95 4.09 0.00 3.99 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 92 V 7.93 3.28 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 0.72 0.00 0.00 0.73 0.00 0.00 93 N 8.48 4.19 0.00 2.82 2.79 0.00 0.00 6.73 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 94 C 8.28 4.09 0.00 3.08 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 95 A 8.12 4.05 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 96 K 7.41 3.62 0.00 1.69 1.52 0.00 1.34 0.00 0.00 1.10 0.00 0.00 2.27 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.06 7.81 97 K 7.45 4.19 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 98 I 7.34 2.80 1.60 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 -0.23 0.00 0.00 99 V 8.33 3.71 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 1.43 0.00 0.00 0.82 0.00 0.00 100 S 7.80 4.57 0.00 4.09 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 0.00 101 D 7.94 4.69 0.00 3.02 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 0.00 102 G 7.19 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 0.00 0.00 0.00 0.00 103 N 8.42 4.71 0.00 2.70 2.83 0.00 0.00 7.04 7.73 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 0.00 104 G 7.80 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 0.00 105 M 7.86 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.94 0.00 106 N 7.80 4.79 0.00 2.91 3.00 0.00 0.00 6.90 8.40 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 0.00 107 A 7.44 3.84 0.73 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 0.00 0.00 108 W 8.19 4.59 0.00 3.62 3.23 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 0.00 109 V 8.52 3.70 2.14 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 1.04 0.00 0.00 0.97 0.00 0.00 110 A 8.39 4.01 1.52 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 0.00 111 W 8.30 3.96 0.00 3.32 3.48 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 0.00 112 R 8.25 3.63 0.00 2.18 2.21 0.00 3.37 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 113 N 8.30 4.58 0.00 2.72 2.77 0.00 0.00 6.85 7.69 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 0.00 114 R 8.10 4.48 0.00 1.51 1.28 0.00 2.79 0.00 0.00 2.59 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 115 C 7.64 4.77 0.00 2.38 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 0.00 116 K 6.91 3.24 0.00 0.79 1.23 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.19 1.00 7.81 117 G 8.86 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 0.00 118 T 7.43 4.51 4.30 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 1.21 0.00 0.00 119 D 8.23 4.64 0.00 2.80 2.63 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 0.00 120 V 8.18 4.21 2.40 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 0.85 0.00 0.00 1.08 0.00 0.00 121 Q 7.81 4.04 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 122 A 8.01 4.02 1.14 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 0.00 0.00 0.00 123 W 8.26 4.36 0.00 3.50 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 0.00 124 I 7.67 4.56 1.93 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 1.60 0.80 1.01 0.00 0.00 125 R 7.56 4.07 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 126 G 8.83 3.96 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 0.00 0.00 0.00 127 C 7.76 4.44 0.00 3.09 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 0.00 128 R 8.46 4.24 0.00 1.75 1.87 0.00 3.27 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 129 L 8.33 4.31 0.00 1.67 1.55 0.95 0.89 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 * Residues marked with a * may have inaccurate shift predictions.