NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4491 8.3049 120.3509 55.1553 33.4193 174.3891 2 K 4.5059 8.4845 122.7742 52.6411 35.1106 174.1382 3 S 5.0525 8.3411 117.9290 56.6057 66.9771 172.7214 4 R 5.6930 8.7221 117.5920 55.1705 32.3369 174.1439 5 I 4.6466 8.4567 114.5995 59.9565 40.2500 174.3132 6 I 5.4077 8.5791 123.2037 59.8902 40.8716 175.2228 7 V 4.5553 8.7654 117.5937 59.7073 36.1111 174.5612 8 R 5.2423 8.7055 122.8376 54.8594 32.8134 174.9149 9 T 4.9282 8.8991 114.1693 60.6708 72.7331 172.2410 10 S 5.1877 8.5196 113.6095 57.6407 65.3206 173.7727 11 F 5.2116 8.4482 120.0834 55.6194 41.8922 172.6627 12 D 5.5883 9.7159 119.3900 52.8750 44.0888 175.0973 13 A 5.0197 8.7814 122.3330 51.0677 23.6335 174.4771 14 A 4.8477 8.4207 120.0760 50.7175 22.7400 177.1030 15 H 5.7724 8.8405 112.0819 58.1343 31.3318 173.1568 *27 H 4.5928 8.1913 114.7279 55.8438 30.0919 172.1484 28 G 4.3024 8.5751 107.6355 42.9697 0.0000 171.8290 29 H 4.9676 8.0581 122.1040 54.5718 32.6164 172.9154 30 T 4.4252 7.9010 114.8011 62.1274 70.9136 173.6222 31 F 4.8508 8.6759 125.7548 55.6920 41.3656 174.8098 32 F 5.0145 9.1899 122.9427 55.8867 40.8759 174.2862 33 L 5.3663 8.8351 126.6496 53.3521 44.7005 174.7046 34 E 5.2351 9.2553 125.7813 54.5041 33.1251 174.1680 35 V 5.0392 9.0660 126.3807 61.0095 34.8547 173.7412 36 A 5.3001 9.1918 129.4907 50.2901 21.7809 174.7484 37 I 4.7484 8.6366 123.9300 59.6252 39.7061 174.4871 38 E 4.8725 8.9941 129.0013 55.0691 31.4840 175.1702 39 G 4.3453 8.1501 112.1034 46.3270 0.0000 172.3976 40 E 4.4482 8.1836 118.8015 55.2872 30.5297 176.3318 41 I 4.0536 8.1091 123.1633 60.8156 37.6345 175.7698 42 K 4.3891 8.3875 125.2440 55.5818 35.1626 175.9828 43 N 4.1155 9.7412 119.8954 54.6007 37.2732 174.8515 44 G 3.9998 9.9460 102.0409 44.9579 0.0000 173.1044 45 Y 4.6826 7.3111 116.3016 55.9810 40.9916 175.9444 46 V 3.6986 8.9011 120.4582 64.4824 31.9308 176.0653 47 M 4.6707 7.6821 111.9471 52.9191 33.0889 174.2699 48 D 3.8822 8.5145 119.5987 54.8523 42.1459 177.0722 49 F 4.4463 8.5256 125.7858 61.1766 39.0994 177.7743 50 L 4.0679 8.0697 117.7295 57.5827 41.2753 179.0833 51 E 3.9339 9.8916 120.1651 59.2355 29.6161 178.6467 52 L 4.0269 8.2903 120.5385 57.8218 42.1344 178.6076 53 R 4.0835 8.4111 118.8197 58.4419 29.9807 178.1749 54 K 4.0471 8.1089 119.8189 59.2122 32.4003 178.6112 55 I 3.6903 7.4983 120.2312 64.4367 36.9848 178.8916 56 V 3.6897 7.6537 112.6240 64.5813 31.5076 178.5867 57 E 4.8080 7.9653 118.6677 58.4674 28.9852 179.2031 58 E 3.9972 7.9695 118.5550 59.0221 29.6121 178.9900 59 I 3.9040 7.2342 119.2861 64.4815 37.3388 178.5424 60 T 3.5529 8.5100 110.7579 64.0986 68.3669 176.0859 61 K 3.7967 8.0440 123.0282 59.8135 31.9923 178.2148 62 E 4.0838 7.8600 115.8740 58.0611 29.4120 177.9987 63 L 4.3918 7.8142 118.0532 54.1742 43.5530 176.6957 64 D 4.5131 7.0533 117.8339 56.4588 41.5900 176.3006 65 H 4.1318 8.9990 119.8234 56.5757 26.9994 175.1543 66 R 4.5466 7.3198 117.8095 54.3075 33.7112 173.3907 67 N 4.9236 8.6734 123.2423 53.4509 36.8286 174.8119 68 L 4.0161 9.0117 126.2532 57.1907 42.8913 178.2270 69 N 4.9852 7.9440 117.8919 52.7398 37.5221 175.5189 70 N 4.7865 7.7181 113.8311 54.9680 44.1792 176.8445 71 I 3.6573 7.2920 116.5803 62.5789 37.4672 176.1993 72 F 4.7864 7.6332 117.3389 55.3764 42.2009 174.6331 73 E 4.1033 8.8569 124.3732 58.1150 29.7975 176.3513 74 N 4.8267 7.7537 115.5686 51.4090 39.8063 173.3686 75 P 4.2600 0.0000 0.0000 61.6591 30.4745 177.6547 76 T 4.2085 7.3717 109.0644 61.4902 71.3865 174.6751 77 T 3.8718 8.4474 119.1903 66.9881 68.4809 176.5843 78 E 3.9360 8.1188 119.7704 59.6018 29.5426 179.0618 79 N 4.4031 7.9955 116.0191 56.4345 38.5957 177.5919 80 I 3.4129 7.7724 121.1152 64.0551 37.0550 178.3378 81 A 4.1218 8.2626 121.8032 55.2573 18.2433 179.6544 82 L 4.1632 8.2986 117.6697 57.6744 41.6165 179.4069 83 W 4.3131 8.6735 128.2953 60.8334 30.7133 177.7790 84 I 3.5326 8.3937 119.7534 64.4647 36.5749 178.5922 85 G 3.6054 8.3437 106.3466 47.7339 0.0000 175.3791 86 E 3.7449 8.2435 121.9910 58.9631 29.4734 178.9902 87 R 3.6198 7.4410 116.9581 59.3156 30.3675 178.8359 88 I 3.7331 7.6752 119.5150 64.1304 37.0938 178.5970 89 R 3.7270 7.6644 118.9570 59.4207 29.7851 178.6245 90 D 4.4922 7.6857 115.5840 55.6262 40.8531 176.7803 91 K 4.3506 7.4336 118.6980 55.6824 33.2939 175.4720 92 L 4.2674 7.5123 119.1948 53.6683 42.0544 175.0632 93 P 4.3647 0.0000 0.0000 62.4858 31.4885 175.5110 94 P 4.1285 0.0000 0.0000 64.9530 31.3852 176.8251 95 Y 4.4876 7.6573 114.6943 57.7148 37.8495 174.8993 96 V 4.7480 7.3582 113.0324 59.7350 36.1258 174.2683 97 K 4.6418 8.7695 119.3120 54.8622 36.3421 175.4361 98 L 4.1367 8.3311 124.1867 55.5382 42.0000 176.0788 99 K 4.5083 9.2536 128.8357 58.6193 33.7892 176.2441 100 R 5.4133 7.7937 117.5788 55.3314 33.8937 173.7898 101 V 4.9472 8.9405 124.3001 61.2405 35.1021 174.0869 102 V 4.7884 8.9459 127.8591 60.9776 34.2569 173.6970 103 L 5.2140 8.8692 130.6431 53.2223 44.5808 174.8186 104 W 5.0641 9.5065 127.6517 55.3018 31.0306 175.3159 105 E 4.0007 9.2015 127.9336 58.1188 29.0070 175.8188 106 G 4.0803 10.4386 119.4484 43.9328 0.0000 173.7484 107 K 4.5790 8.9838 121.1426 56.7970 38.8632 175.7127 108 D 4.8903 8.2511 116.3263 54.0925 42.2546 175.7046 109 N 5.2472 8.1795 116.8422 51.5666 42.4496 173.6366 110 G 3.8235 8.1882 108.3766 45.2866 0.0000 171.9168 111 V 4.3765 8.4123 119.6256 60.6549 34.5823 173.6978 112 E 4.9532 8.6578 128.0122 54.3908 31.7874 174.5336 113 L 4.4651 8.9336 127.5409 52.7392 44.2042 175.1847 114 E 5.0489 8.1134 123.5621 53.9926 32.8033 175.4300 115 W 4.5613 8.7650 124.3560 56.9031 29.6036 175.2259 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 M 8.30 4.45 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 K 8.48 4.51 0.00 1.84 1.70 0.00 2.03 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.46 7.81 3 S 8.34 5.05 0.00 3.87 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 4 R 8.72 5.69 0.00 1.91 1.94 0.00 2.69 0.00 0.00 4.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 5 I 8.46 4.65 2.04 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 1.40 0.94 0.87 0.00 0.00 6 I 8.58 5.41 1.95 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 1.44 0.79 0.99 0.00 0.00 7 V 8.77 4.56 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 0.84 0.00 0.00 1.02 0.00 0.00 8 R 8.71 5.24 0.00 1.67 1.89 0.00 3.14 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 9 T 8.90 4.93 4.36 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 1.29 0.00 0.00 10 S 8.52 5.19 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 5.21 0.00 3.29 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 12 D 9.72 5.59 0.00 2.70 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 13 A 8.78 5.02 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 14 A 8.42 4.85 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 15 H 8.84 5.77 0.00 3.23 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 H 8.19 4.59 0.00 3.36 3.53 0.00 5.59 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 28 G 8.58 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 0.00 0.00 0.00 0.00 29 H 8.06 4.97 0.00 2.57 3.03 0.00 5.77 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 30 T 7.90 4.43 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 0.76 0.00 0.00 31 F 8.68 4.85 0.00 1.51 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 0.00 0.00 0.00 32 F 9.19 5.01 0.00 3.13 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 33 L 8.84 5.37 0.00 2.00 1.70 1.09 0.76 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 34 E 9.26 5.24 0.00 2.23 1.92 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 2.31 2.33 0.00 35 V 9.07 5.04 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 0.96 0.00 0.00 1.03 0.00 0.00 36 A 9.19 5.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.64 4.75 1.92 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 1.17 1.24 0.99 0.00 0.00 38 E 8.99 4.87 0.00 2.08 1.83 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 2.27 2.44 0.00 39 G 8.15 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 0.00 0.00 0.00 0.00 40 E 8.18 4.45 0.00 2.02 1.84 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 2.37 2.34 0.00 41 I 8.11 4.05 1.84 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 1.41 0.46 0.89 0.00 0.00 42 K 8.39 4.39 0.00 1.39 1.41 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.31 7.81 43 N 9.74 4.12 0.00 2.61 2.42 0.00 0.00 7.19 7.98 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 44 G 9.95 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 45 Y 7.31 4.68 0.00 2.96 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 46 V 8.90 3.70 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 0.95 0.00 0.00 0.95 0.00 0.00 47 M 7.68 4.67 0.00 2.18 2.04 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 2.40 2.46 0.00 48 D 8.51 3.88 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.45 0.00 3.09 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 50 L 8.07 4.07 0.00 1.95 1.74 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.89 3.93 0.00 2.12 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 0.00 2.33 2.33 0.00 52 L 8.29 4.03 0.00 1.85 1.89 0.95 1.14 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 53 R 8.41 4.08 0.00 2.05 2.07 0.00 3.15 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 54 K 8.11 4.05 0.00 1.99 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 55 I 7.50 3.69 2.06 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 1.51 0.88 0.87 0.00 0.00 56 V 7.65 3.69 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 0.89 0.00 0.00 1.04 0.00 0.00 57 E 7.97 4.81 0.00 1.99 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 2.37 2.59 0.00 58 E 7.97 4.00 0.00 2.19 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 2.34 2.57 0.00 59 I 7.23 3.90 1.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.62 0.00 0.00 60 T 8.51 3.55 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 1.41 0.00 0.00 61 K 8.04 3.80 0.00 2.13 2.08 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.52 7.81 62 E 7.86 4.08 0.00 2.26 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 0.00 2.40 2.40 0.00 63 L 7.81 4.39 0.00 0.99 1.22 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.05 4.51 0.00 2.73 2.25 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 65 H 9.00 4.13 0.00 3.20 3.32 0.00 5.61 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.32 4.55 0.00 1.89 1.68 0.00 3.35 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 67 N 8.67 4.92 0.00 2.85 2.73 0.00 0.00 7.18 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 68 L 9.01 4.02 0.00 1.84 1.73 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.94 4.99 0.00 2.88 2.81 0.00 0.00 6.58 6.26 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 70 N 7.72 4.79 0.00 2.77 2.71 0.00 0.00 7.25 7.45 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 71 I 7.29 3.66 1.07 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.25 -0.38 0.00 0.00 72 F 7.63 4.79 0.00 2.80 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 73 E 8.86 4.10 0.00 1.91 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 2.30 2.36 0.00 74 N 7.75 4.83 0.00 2.65 2.68 0.00 0.00 7.03 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 75 P 0.00 4.26 0.00 2.07 1.97 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 76 T 7.37 4.21 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 1.23 0.00 0.00 77 T 8.45 3.87 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 1.29 0.00 0.00 78 E 8.12 3.94 0.00 2.04 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 2.37 2.43 0.00 79 N 8.00 4.40 0.00 2.79 2.91 0.00 0.00 7.09 6.79 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 80 I 7.77 3.41 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.40 0.81 0.00 0.00 81 A 8.26 4.12 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 82 L 8.30 4.16 0.00 2.08 1.93 1.01 1.07 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 83 W 8.67 4.31 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.53 2.17 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 1.62 0.93 0.96 0.00 0.00 85 G 8.34 3.61 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 0.00 0.00 0.00 86 E 8.24 3.74 0.00 2.03 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 0.00 2.17 2.27 0.00 87 R 7.44 3.62 0.00 1.17 1.52 0.00 3.10 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.73 0.00 88 I 7.68 3.73 1.85 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 1.44 1.06 0.83 0.00 0.00 89 R 7.66 3.73 0.00 1.88 1.79 0.00 2.78 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 90 D 7.69 4.49 0.00 2.54 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 91 K 7.43 4.35 0.00 1.60 1.70 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.37 7.81 92 L 7.51 4.27 0.00 1.79 1.54 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.36 0.00 2.29 2.24 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 94 P 0.00 4.13 0.00 1.41 1.88 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 95 Y 7.66 4.49 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 96 V 7.36 4.75 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 0.77 0.00 0.00 1.03 0.00 0.00 97 K 8.77 4.64 0.00 1.68 1.80 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.38 7.81 98 L 8.33 4.14 0.00 1.40 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.25 4.51 0.00 2.00 2.05 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.53 7.81 100 R 7.79 5.41 0.00 2.01 1.81 0.00 3.37 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 101 V 8.94 4.95 2.37 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 1.03 0.00 0.00 1.18 0.00 0.00 102 V 8.95 4.79 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.06 0.00 0.00 103 L 8.87 5.21 0.00 1.83 1.51 1.13 0.84 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 0.00 104 W 9.51 5.06 0.00 3.53 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 0.00 105 E 9.20 4.00 0.00 2.09 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 1.94 1.93 0.00 106 G 10.44 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 0.00 107 K 8.98 4.58 0.00 1.60 1.57 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.67 7.81 108 D 8.25 4.89 0.00 2.70 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 0.00 109 N 8.18 5.25 0.00 2.66 2.69 0.00 0.00 6.80 7.58 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 0.00 110 G 8.19 3.82 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 0.00 0.00 0.00 111 V 8.41 4.38 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 0.93 0.00 0.00 0.86 0.00 0.00 112 E 8.66 4.95 0.00 1.82 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 2.10 2.25 0.00 113 L 8.93 4.47 0.00 1.26 0.58 1.01 0.35 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 0.00 114 E 8.11 5.05 0.00 1.81 1.61 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 2.16 2.47 0.00 115 W 8.76 4.56 0.00 3.51 2.91 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 * Residues marked with a * may have inaccurate shift predictions.