NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6429 8.1293 118.3639 57.4555 39.6971 175.3200 3 S 4.1604 8.5203 118.4229 57.6725 64.8828 173.8707 4 I 3.7255 9.1086 124.2281 64.4183 38.1397 179.4032 5 E 4.0776 8.0919 119.1262 59.2807 29.4229 179.2248 6 V 3.6162 7.7773 117.8608 65.5724 31.5831 178.0691 7 R 3.7859 7.8195 118.4076 59.8121 29.7710 178.6070 8 T 3.9907 8.2200 115.9296 66.8924 68.2472 176.1388 9 H 4.1906 8.6399 120.6124 59.4000 29.7377 177.5649 10 S 4.1581 8.0381 116.3681 61.4509 62.5048 176.3545 11 A 3.9907 8.0719 123.5549 55.0614 17.9704 179.3994 12 L 4.0294 7.7127 117.5414 58.7032 41.8721 179.6613 13 H 4.1952 8.0162 115.7582 58.6114 28.5519 178.2203 14 V 3.9091 7.6292 119.7603 66.1495 31.4916 178.1038 15 V 3.4981 8.5397 119.2511 65.6413 31.2077 177.7841 16 K 3.8657 8.4098 119.9421 59.4558 32.0628 178.8616 17 G 2.6010 7.8084 105.1343 46.7920 0.0000 175.4045 18 A 3.6150 7.7520 123.2313 54.5725 18.3491 179.8394 19 V 3.3543 7.6507 116.9022 66.1925 31.6085 178.5360 20 V 3.6366 7.5859 117.9046 65.7234 31.0593 178.1710 21 K 3.7911 7.4810 117.5748 59.1525 31.9004 179.1787 22 V 3.7349 7.4441 117.2451 65.6378 31.7651 177.5953 23 L 4.3085 8.0388 116.5642 54.6670 42.2189 177.1794 24 G 3.9429 8.0334 105.5774 44.2372 0.0000 174.2928 25 S 4.2239 8.4166 111.7195 60.6168 62.9590 175.9339 26 E 4.2900 8.3278 119.2111 58.1027 29.5102 176.9696 27 A 5.2815 7.9817 120.2922 51.0170 19.1054 177.5519 28 K 3.9964 7.8903 117.4820 58.8618 33.3604 176.7895 29 W 4.7218 7.9995 121.1959 55.5793 30.3397 175.0248 30 T 4.7456 8.5735 120.5921 63.5853 69.0712 174.8099 31 Y 4.4609 9.3434 127.9751 59.5282 39.9831 175.2420 32 S 4.7625 7.8839 111.0387 58.1904 65.9517 174.3293 33 T 5.3709 8.3988 109.4069 60.7013 71.7496 172.3961 34 Y 4.9911 8.8883 123.2989 56.2220 42.9213 173.8878 35 V 4.4984 6.6365 123.5493 60.9661 35.0548 174.6931 36 K 4.1683 8.5662 128.4251 55.3502 34.8972 176.9822 37 G 3.8186 8.7850 120.0432 47.0442 0.0000 173.2316 38 N 4.7598 8.7511 122.9001 51.4721 37.8635 173.7708 39 K 4.7863 7.9132 119.5725 55.0919 34.7180 175.6724 40 G 3.6942 8.3705 110.0579 44.1968 0.0000 171.5894 41 V 4.7409 8.8609 122.5682 60.7601 34.7368 173.8966 42 L 4.9421 8.9723 130.9086 53.5708 44.2295 174.8667 43 I 5.1656 8.7362 128.3018 59.6958 39.2197 175.3542 44 V 4.9615 8.8678 127.0178 59.4353 34.9447 174.7265 45 K 4.7351 9.3370 124.3444 56.5099 33.1586 175.6627 46 F 5.4879 9.3470 129.2042 57.7932 42.8539 173.0831 47 D 4.9999 7.3019 117.9790 52.8634 40.4789 175.4402 48 R 3.3758 6.3261 114.5398 54.1898 32.3809 174.1083 49 K 4.1080 7.5785 119.4531 54.2025 31.9608 174.4049 50 P 4.5206 0.0000 0.0000 62.9342 32.0889 177.1060 51 S 4.4804 8.5723 115.7633 58.0197 65.4264 175.2970 52 D 4.4213 8.5609 121.9562 57.3187 40.4680 178.7440 53 E 3.9881 8.0910 119.7388 59.2158 29.6898 178.4633 54 E 4.0038 8.2421 118.7658 59.2581 29.4360 179.3150 55 I 3.6797 7.8434 119.9922 64.3967 37.1519 178.3098 56 R 3.8770 7.8561 119.0605 59.4374 29.8125 178.2218 57 E 3.9421 8.1193 119.0703 59.2740 29.6671 178.7118 58 I 3.6750 8.0620 120.2963 64.3231 37.0556 177.9077 59 E 3.8769 8.3538 120.0625 59.4897 29.4858 178.2475 60 R 3.8598 8.3619 118.8278 60.0457 30.1446 178.1153 61 L 4.0502 8.6333 118.4123 58.0185 41.1917 179.6976 62 A 4.2172 8.2243 120.6570 55.2935 18.3484 179.4541 63 N 4.3630 8.5427 115.2329 56.0676 38.7183 177.3745 64 E 3.9049 8.3132 121.2944 58.9998 29.4884 178.7452 65 K 3.5547 7.5665 118.7658 58.9323 32.3481 178.8125 66 V 3.6062 7.1729 118.0179 65.8698 31.2779 178.2668 67 K 4.0263 7.7179 116.8800 59.0162 31.9252 178.5869 68 E 3.9029 7.8578 118.2018 56.4519 30.4585 175.5695 69 N 4.0765 7.6716 116.2522 54.6714 37.9794 173.7117 70 A 4.3488 8.2388 120.5405 51.1035 20.2671 176.7511 71 P 4.6615 0.0000 0.0000 62.9291 32.6355 176.8118 72 I 4.3512 8.0887 124.3392 59.8754 36.4377 175.1911 73 K 4.1265 8.7138 125.9796 56.1799 33.6812 176.2180 74 I 4.8965 7.9498 123.5943 59.7429 39.0416 174.3583 75 Y 4.3084 8.8498 124.9753 57.2564 39.6752 174.6665 76 E 5.1432 8.9422 123.5631 54.4886 31.6337 174.0324 77 L 5.0412 8.6361 126.9676 53.0023 45.0616 173.9544 78 P 4.6105 0.0000 0.0000 62.1385 32.1131 177.1505 79 R 3.9302 8.5521 123.4617 59.9444 29.6599 178.1186 80 E 4.0033 8.2865 115.1358 59.9804 29.5432 178.5315 81 E 4.0426 8.1697 119.1825 58.6182 29.4874 178.9224 82 A 4.0477 8.2136 119.5923 55.3488 18.6935 178.6737 83 E 4.0746 8.8796 117.9972 59.3089 29.4603 178.5143 84 K 4.0145 7.6475 117.3927 57.0727 33.3220 177.5056 *86 F 4.4991 8.1762 116.8591 55.2265 40.8287 176.6030 87 G 3.9335 7.9347 110.7167 44.1297 0.0000 173.6416 88 E 4.0977 8.8585 118.2372 59.3688 29.9428 178.2442 89 D 4.1573 7.0817 120.2982 53.9896 39.1089 174.2946 *91 Y 4.7853 7.3384 115.7811 58.3882 39.5671 173.4230 92 D 5.5024 8.5042 119.6078 52.6071 44.2466 176.0285 93 L 4.0033 9.0105 119.4541 58.0297 41.5581 177.7225 94 F 4.5656 8.1314 121.3371 56.0710 39.1516 173.2984 95 P 3.9753 0.0000 0.0000 62.3678 31.6774 176.4535 96 V 3.6820 7.8925 121.8801 61.8556 31.7381 173.8204 97 P 4.1020 0.0000 0.0000 62.5358 32.0093 176.3888 98 E 4.3202 8.4842 118.9551 57.2989 29.6621 177.4250 99 D 4.3824 7.8658 118.4407 55.4800 41.3270 176.3817 100 V 4.0199 7.2160 118.9791 61.9538 31.1064 175.4738 101 R 4.4904 8.4264 126.2559 56.7306 31.4767 176.2155 102 I 5.0231 7.5896 119.4059 59.4820 40.7486 174.5851 103 L 4.7892 9.0127 126.7041 53.0223 44.8380 175.9342 104 K 4.6427 8.6457 121.7673 54.9766 34.2464 175.1639 105 V 4.5462 8.7266 126.5834 59.8403 33.5588 175.1685 106 V 4.5002 8.7118 126.5592 61.7693 33.1631 174.9810 107 V 4.7969 9.0340 127.1584 60.1403 34.9447 174.6380 108 I 4.4252 8.4667 124.8518 58.9181 38.9323 173.0311 109 E 3.8299 8.3935 124.5828 56.4289 30.0286 176.4920 110 D 4.5728 8.9951 125.5978 55.0071 38.4845 174.0390 111 W 4.9478 8.3322 127.0433 58.1744 34.6841 173.8669 112 N 4.7590 7.7524 113.5922 52.5985 41.8371 172.8020 113 V 4.7479 8.2675 124.9468 61.1192 34.6656 174.0895 114 N 4.8777 9.0585 125.8027 51.9628 42.8991 172.9523 115 A 4.5798 8.6915 128.0999 52.4591 18.8309 176.0836 116 C 4.8691 8.9515 121.9420 58.7223 34.6250 173.7503 117 N 4.8142 9.0225 121.2441 53.0888 39.1836 175.1679 118 K 4.2650 7.7188 117.9462 55.2162 33.1894 175.7708 119 E 4.2064 8.3589 121.2979 56.2295 30.1067 175.3775 120 H 4.9658 8.4794 122.2008 53.7206 32.2374 173.5340 121 T 3.1186 7.8544 111.3474 60.7077 69.5521 175.4007 122 K 4.1618 8.2998 122.4963 59.1554 32.6430 177.3917 123 T 5.0589 7.7088 107.7324 58.9008 71.9877 174.8568 124 T 3.9047 9.2541 114.5964 64.9477 68.3514 176.9580 125 G 3.6503 8.1159 108.0067 47.4298 0.0000 174.8042 126 E 4.1830 7.7664 117.3480 57.4623 29.3545 178.3785 127 I 4.0559 7.5456 120.9216 62.4098 37.9878 176.9638 128 G 3.9817 7.2695 102.5372 43.5278 0.0000 170.9007 129 P 4.4043 0.0000 0.0000 63.8017 31.6867 175.0334 130 I 4.6353 9.3958 125.2169 59.2515 39.6557 174.9971 131 K 4.7384 8.8721 127.0115 54.6372 35.0913 174.9047 132 I 4.6033 10.6024 129.3654 61.3875 36.9530 176.0386 133 R 4.3220 9.0557 127.4817 58.1786 30.9378 177.1241 134 K 4.7475 7.9059 117.9184 54.7889 36.3840 175.1080 135 V 5.0107 8.3750 123.7716 61.3898 34.3041 174.1650 136 R 4.6992 9.1236 128.6016 54.4346 32.8199 173.9367 137 F 5.1318 8.9672 128.5528 56.7834 41.1930 175.3083 138 R 4.0129 8.2381 127.5319 54.5097 29.8510 177.2972 139 K 3.4034 8.4464 125.6435 59.4540 31.7884 177.5038 140 S 4.0157 7.6434 110.6109 61.9725 62.3476 175.3037 141 K 3.9474 7.6908 120.1961 56.9530 32.7179 176.9893 142 G 3.7311 7.8585 107.3593 46.9140 0.0000 172.9816 143 L 5.1834 7.1544 117.1559 52.4067 46.0232 176.3917 144 L 5.2135 9.4488 124.9641 53.4963 44.8726 174.7417 145 E 4.9078 9.7838 127.3430 55.2102 31.5576 175.1730 146 I 4.7634 8.9895 126.9240 59.9538 39.0544 173.9632 147 H 5.3335 9.5648 125.9692 54.7946 30.1674 174.8001 148 F 5.6436 8.8556 117.6277 55.3889 42.0513 173.1490 149 E 5.1236 9.6294 117.5347 54.5812 32.8275 175.2206 150 L 4.7737 8.7835 122.9071 54.7810 42.9897 176.1968 151 L 4.6376 7.9170 120.4499 52.7504 43.8247 178.6140 152 E 4.4257 8.8273 124.9986 56.3334 28.3607 176.2033 153 L 4.1561 8.1278 122.7164 55.0124 41.2910 176.8583 154 E 4.1375 9.4400 125.8495 57.5212 29.3500 176.8618 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 Y 8.13 4.64 0.00 3.02 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 3 S 8.52 4.16 0.00 4.16 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 4 I 9.11 3.73 1.88 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 1.64 1.61 0.93 0.00 0.00 5 E 8.09 4.08 0.00 2.03 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 2.31 2.52 0.00 6 V 7.78 3.62 2.28 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 1.00 0.00 0.00 1.02 0.00 0.00 7 R 7.82 3.79 0.00 2.25 2.01 0.00 3.37 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 8 T 8.22 3.99 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 1.16 0.00 0.00 9 H 8.64 4.19 0.00 3.19 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.04 4.16 0.00 4.04 3.85 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 0.00 0.00 0.00 0.00 11 A 8.07 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.71 4.03 0.00 1.91 1.71 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.02 4.20 0.00 3.27 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.63 3.91 2.20 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 1.04 0.00 0.00 0.85 0.00 0.00 15 V 8.54 3.50 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.07 0.00 0.00 16 K 8.41 3.87 0.00 1.96 1.71 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.54 7.81 17 G 7.81 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 0.00 0.00 0.00 18 A 7.75 3.61 1.48 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 0.00 0.00 19 V 7.65 3.35 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 0.78 0.00 0.00 0.84 0.00 0.00 20 V 7.59 3.64 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 0.80 0.00 0.00 0.79 0.00 0.00 21 K 7.48 3.79 0.00 1.64 1.69 0.00 1.64 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 0.93 7.81 22 V 7.44 3.73 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 0.79 0.00 0.00 0.89 0.00 0.00 23 L 8.04 4.31 0.00 1.48 1.39 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.03 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 25 S 8.42 4.22 0.00 4.02 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 26 E 8.33 4.29 0.00 2.25 2.21 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 2.41 2.31 0.00 27 A 7.98 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.89 4.00 0.00 1.61 1.84 0.00 1.47 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.46 0.45 7.81 29 W 8.00 4.72 0.00 3.58 3.32 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 30 T 8.57 4.75 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 1.38 0.00 0.00 31 Y 9.34 4.46 0.00 2.95 3.19 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 32 S 7.88 4.76 0.00 3.83 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 33 T 8.40 5.37 4.32 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 1.28 0.00 0.00 34 Y 8.89 4.99 0.00 3.07 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 35 V 6.64 4.50 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 0.68 0.00 0.00 0.85 0.00 0.00 36 K 8.57 4.17 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 G 8.78 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 38 N 8.75 4.76 0.00 2.87 3.04 0.00 0.00 6.64 7.30 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 39 K 7.91 4.79 0.00 1.79 1.63 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.33 7.81 40 G 8.37 3.69 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 0.00 0.00 0.00 41 V 8.86 4.74 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 0.78 0.00 0.00 0.99 0.00 0.00 42 L 8.97 4.94 0.00 1.99 1.65 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.74 5.17 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.99 0.00 0.00 44 V 8.87 4.96 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 0.77 0.00 0.00 1.05 0.00 0.00 45 K 9.34 4.74 0.00 2.02 1.97 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.47 7.81 46 F 9.35 5.49 0.00 3.01 3.13 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 47 D 7.30 5.00 0.00 2.67 2.56 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 48 R 6.33 3.38 0.00 1.52 1.50 0.00 2.87 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.50 0.00 49 K 7.58 4.11 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 50 P 0.00 4.52 0.00 2.09 1.99 0.00 3.80 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 51 S 8.57 4.48 0.00 4.09 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 52 D 8.56 4.42 0.00 2.75 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 53 E 8.09 3.99 0.00 2.04 1.94 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 2.38 2.40 0.00 54 E 8.24 4.00 0.00 2.18 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 2.33 2.35 0.00 55 I 7.84 3.68 2.00 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 1.64 0.87 0.93 0.00 0.00 56 R 7.86 3.88 0.00 2.11 2.09 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 57 E 8.12 3.94 0.00 2.23 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 2.30 2.39 0.00 58 I 8.06 3.68 2.00 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 1.32 0.68 0.85 0.00 0.00 59 E 8.35 3.88 0.00 2.15 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 2.32 2.33 0.00 60 R 8.36 3.86 0.00 2.07 2.04 0.00 3.34 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 61 L 8.63 4.05 0.00 1.89 2.04 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.22 4.22 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 63 N 8.54 4.36 0.00 2.87 2.86 0.00 0.00 6.65 8.51 0.00 0.00 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 E 8.31 3.90 0.00 2.23 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 2.31 0.00 65 K 7.57 3.55 0.00 0.79 1.52 0.00 1.07 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.90 7.81 66 V 7.17 3.61 2.21 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 1.03 0.00 0.00 0.88 0.00 0.00 67 K 7.72 4.03 0.00 1.74 1.82 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.52 7.81 68 E 7.86 3.90 0.00 1.87 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 2.22 2.23 0.00 69 N 7.67 4.08 0.00 2.82 2.75 0.00 0.00 7.14 7.97 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 70 A 8.24 4.35 1.13 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 0.00 0.00 71 P 0.00 4.66 0.00 2.07 2.04 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 72 I 8.09 4.35 1.97 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 1.14 0.53 0.77 0.00 0.00 73 K 8.71 4.13 0.00 1.91 1.65 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.45 7.81 74 I 7.95 4.90 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.89 0.00 0.00 75 Y 8.85 4.31 0.00 3.06 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 76 E 8.94 5.14 0.00 1.96 1.87 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 2.21 2.30 0.00 77 L 8.64 5.04 0.00 1.84 1.82 1.14 1.01 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 78 P 0.00 4.61 0.00 2.23 2.03 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 79 R 8.55 3.93 0.00 1.95 2.01 0.00 3.23 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 80 E 8.29 4.00 0.00 2.17 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 2.31 2.45 0.00 81 E 8.17 4.04 0.00 2.12 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 2.41 2.34 0.00 82 A 8.21 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.88 4.07 0.00 2.33 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 2.40 2.46 0.00 84 K 7.65 4.01 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 *86 F 8.18 4.50 0.00 3.02 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 87 G 7.93 3.93 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 0.00 0.00 0.00 88 E 8.86 4.10 0.00 2.14 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 0.00 2.58 2.92 0.00 89 D 7.08 4.16 0.00 2.52 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 *91 Y 7.34 4.79 0.00 3.41 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 92 D 8.50 5.50 0.00 2.85 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 93 L 9.01 4.00 0.00 1.96 1.84 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.13 4.57 0.00 2.79 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 95 P 0.00 3.98 0.00 1.74 1.67 0.00 3.08 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 1.80 1.89 0.00 96 V 7.89 3.68 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 0.83 0.00 0.00 1.06 0.00 0.00 97 P 0.00 4.10 0.00 2.20 2.00 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 98 E 8.48 4.32 0.00 1.92 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 2.23 2.22 0.00 99 D 7.87 4.38 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 4.02 2.19 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 0.84 0.00 0.00 1.00 0.00 0.00 101 R 8.43 4.49 0.00 1.79 1.96 0.00 3.31 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 102 I 7.59 5.02 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 1.38 0.63 1.00 0.00 0.00 103 L 9.01 4.79 0.00 1.64 1.60 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.65 4.64 0.00 1.83 1.76 0.00 1.68 0.00 0.00 2.04 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.57 7.81 105 V 8.73 4.55 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 0.64 0.00 0.00 0.09 0.00 0.00 106 V 8.71 4.50 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 0.63 0.00 0.00 0.72 0.00 0.00 107 V 9.03 4.80 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 0.84 0.00 0.00 0.99 0.00 0.00 108 I 8.47 4.43 2.01 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 1.07 0.77 0.83 0.00 0.00 109 E 8.39 3.83 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 2.33 2.50 0.00 110 D 9.00 4.57 0.00 2.96 2.83 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 0.00 111 W 8.33 4.95 0.00 3.45 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 0.00 112 N 7.75 4.76 0.00 2.84 2.71 0.00 0.00 6.49 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.27 4.75 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 0.37 0.00 0.00 0.87 0.00 0.00 114 N 9.06 4.88 0.00 2.75 2.68 0.00 0.00 6.70 7.71 0.00 0.00 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 A 8.69 4.58 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 0.00 116 C 8.95 4.87 0.00 3.34 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 0.00 117 N 9.02 4.81 0.00 2.78 2.85 0.00 0.00 7.06 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 0.00 118 K 7.72 4.27 0.00 1.50 1.52 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 119 E 8.36 4.21 0.00 1.94 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 2.34 2.39 0.00 120 H 8.48 4.97 0.00 3.04 3.10 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.85 3.12 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 0.68 0.00 0.00 122 K 8.30 4.16 0.00 2.03 1.94 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.63 7.81 123 T 7.71 5.06 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 124 T 9.25 3.90 4.12 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 1.05 0.00 0.00 125 G 8.12 3.65 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 0.00 126 E 7.77 4.18 0.00 2.14 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 2.49 2.41 0.00 127 I 7.55 4.06 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.43 0.92 0.00 0.00 128 G 7.27 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 0.00 0.00 0.00 129 P 0.00 4.40 0.00 2.14 2.25 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 130 I 9.40 4.64 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.91 0.00 0.00 131 K 8.87 4.74 0.00 1.84 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.42 7.81 132 I 10.60 4.60 2.02 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 1.31 0.69 1.05 0.00 0.00 133 R 9.06 4.32 0.00 1.74 2.00 0.00 3.32 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 134 K 7.91 4.75 0.00 1.77 1.54 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.43 7.81 135 V 8.37 5.01 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 0.97 0.00 0.00 0.99 0.00 0.00 136 R 9.12 4.70 0.00 1.96 1.87 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 137 F 8.97 5.13 0.00 3.11 3.04 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 0.00 138 R 8.24 4.01 0.00 1.52 1.67 0.00 3.33 0.00 0.00 2.97 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 139 K 8.45 3.40 0.00 1.67 1.80 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 140 S 7.64 4.02 0.00 3.79 3.74 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 0.00 141 K 7.69 3.95 0.00 1.57 1.62 0.00 1.73 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.33 7.81 142 G 7.86 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 0.00 0.00 0.00 143 L 7.15 5.18 0.00 1.32 1.31 -0.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.45 5.21 0.00 2.05 1.62 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.78 4.91 0.00 2.09 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 2.28 2.46 0.00 146 I 8.99 4.76 1.97 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 1.26 1.21 0.98 0.00 0.00 147 H 9.56 5.33 0.00 3.32 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.86 5.64 0.00 3.15 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 0.00 149 E 9.63 5.12 0.00 2.02 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 2.21 2.29 0.00 150 L 8.78 4.77 0.00 1.58 1.69 1.10 0.84 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 0.00 151 L 7.92 4.64 0.00 1.46 1.57 0.94 0.91 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 0.00 152 E 8.83 4.43 0.00 1.94 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 2.32 2.40 0.00 153 L 8.13 4.16 0.00 1.76 1.42 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 154 E 9.44 4.14 0.00 1.94 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 2.32 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.