NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5457 8.1727 120.1045 56.2593 34.5644 173.6641 3 K 4.9351 9.4457 124.0818 54.3186 34.8823 173.1601 4 I 4.7504 8.9422 128.6328 59.3662 40.6592 173.6623 5 L 4.8548 8.6287 129.4459 53.8046 43.7528 174.9586 6 I 4.5208 8.7041 128.2482 59.7513 39.3491 174.9617 7 V 4.4567 8.8514 128.8454 61.3797 32.9301 173.8888 8 D 5.6121 8.7699 127.8375 52.8276 44.6362 174.9786 9 D 5.1520 8.9189 124.0199 52.9614 40.8569 175.8615 10 E 4.5854 8.5139 120.8259 54.5969 30.6325 176.3005 11 K 4.1006 8.9656 125.8414 59.3278 32.3017 176.4091 12 P 4.2447 0.0000 0.0000 65.8101 31.2713 178.2676 13 I 3.9083 7.7655 116.6052 63.5483 38.0680 177.2477 14 S 4.1320 8.2275 114.2812 61.8698 62.0884 176.1669 15 D 4.5044 8.4733 121.3433 57.3801 40.5404 178.9215 16 I 3.8184 7.7970 119.9903 64.5506 37.0992 178.6191 17 I 3.8793 8.0584 120.6886 64.1239 36.8375 178.2997 18 K 3.9192 8.5903 120.9850 59.5584 32.0578 178.4168 19 F 4.1619 8.5010 120.8510 61.5756 39.1801 176.9094 20 N 4.2408 8.5319 115.9748 56.5674 38.4006 177.4819 21 M 4.3111 8.5253 120.5435 58.5517 31.9434 178.9583 22 T 3.9988 8.2578 116.3079 66.7596 68.4673 176.7035 23 K 3.7257 7.5553 118.7968 59.2964 32.0792 178.2084 24 E 4.0646 7.5898 117.1872 56.7804 29.7346 177.1677 25 G 3.8171 8.0180 106.8814 45.6742 0.0000 173.1768 26 Y 4.6312 7.1085 116.9241 57.3396 39.0664 174.9108 27 E 4.2748 9.0924 124.2105 55.9558 31.0364 175.3055 28 V 4.8851 8.4605 126.5009 61.2338 33.7668 174.8810 29 V 4.7407 8.7266 120.6785 59.6916 35.0665 174.6915 30 T 5.0661 8.4803 112.3576 59.9121 71.8257 172.9379 31 A 4.6978 8.4689 123.9258 50.4119 22.3947 176.6151 32 F 4.9647 10.0373 117.7738 56.3362 40.2936 174.6598 33 N 5.0016 7.6707 118.4512 50.6968 41.2504 175.1540 34 G 3.5556 8.5894 106.1978 47.8005 0.0000 175.7528 35 R 3.8804 7.9118 120.5590 59.3947 30.2665 178.2347 36 E 3.9708 8.2764 117.6477 59.2476 29.3970 178.8784 37 A 3.9815 8.2441 120.9796 55.4813 18.4802 179.8075 38 L 4.0901 7.9820 117.2478 57.8388 41.6904 179.6108 39 E 3.9795 8.4284 118.6699 59.6723 29.3867 179.5123 40 Q 4.0149 8.5722 118.4801 58.7204 28.7409 178.4237 41 F 4.2015 8.4789 121.8915 61.5325 39.2134 177.1483 42 E 3.4302 7.9089 116.5324 59.0000 29.3134 178.7671 43 A 4.1297 7.7330 119.7530 54.3219 18.8853 178.6423 44 E 4.2442 8.4086 114.9864 55.2971 31.5946 176.0544 45 Q 3.2190 7.6825 117.5748 56.0373 26.6840 172.0382 46 P 4.4691 0.0000 0.0000 62.9438 32.5034 176.9453 47 D 4.6052 8.6631 120.0623 57.0029 41.5549 176.5682 48 I 4.7288 7.5108 116.7960 59.5967 41.9339 173.3623 49 I 4.9547 8.7644 128.3574 59.5706 40.4844 174.3863 50 I 4.6416 8.5105 128.0943 59.6663 39.0925 174.4012 51 L 4.8400 8.7721 129.6424 52.8860 44.6087 175.5596 52 D 5.1003 8.7864 127.8216 51.8874 40.7164 174.1358 53 L 4.8630 7.7103 119.8053 53.7309 43.7717 177.1319 54 M 4.5362 8.9082 122.0468 53.4676 32.2499 174.6874 *58 I 4.2867 7.7990 123.4631 60.9087 39.9768 177.9108 59 D 4.4670 8.1897 119.7416 57.3187 40.6252 178.8719 60 G 3.6283 8.0562 105.6820 47.8305 0.0000 175.5546 61 L 4.0277 7.8619 120.9277 57.6416 41.6506 179.3460 62 E 3.9571 8.2128 118.5180 59.0482 29.2637 179.5697 63 V 3.4904 7.8922 118.2511 65.9013 31.6206 178.0258 64 A 3.8191 7.8434 120.4149 54.8716 18.0177 179.1666 65 K 3.7046 7.8657 117.0839 60.2709 32.3913 178.6841 66 T 3.9945 8.0342 115.7174 66.6110 68.3493 176.6937 67 I 3.3275 7.7268 121.8175 64.4334 36.3796 178.6117 68 R 4.3441 7.7958 119.3261 57.9033 29.5656 179.0681 69 K 4.1921 7.6203 118.1670 58.7068 32.0932 177.4875 70 T 4.6704 7.3823 102.1003 60.7240 70.2024 173.6984 71 S 4.6932 8.2439 116.9838 56.9749 65.5666 173.8307 72 S 4.6709 8.6318 120.0149 57.7483 63.2993 174.3146 73 V 3.6614 7.6068 121.0533 62.1340 31.3932 174.4790 74 P 4.5802 0.0000 0.0000 63.2385 32.6591 175.0238 75 I 4.7970 8.9221 124.3512 59.3779 40.4444 174.1493 76 L 4.9403 8.8570 130.3210 53.5551 43.7213 175.1427 77 M 4.6319 8.6748 127.2554 54.7013 33.5921 175.3971 78 L 4.9443 8.3870 124.3116 53.3421 45.5418 175.0463 79 S 4.5988 8.4218 118.4372 57.2169 65.6893 175.4394 80 A 4.2091 8.8178 128.6400 54.6731 18.5717 178.2989 81 K 4.2898 7.8982 116.3001 56.5948 32.3519 176.5176 82 D 5.0129 8.6531 121.7317 52.3606 40.4299 176.4607 83 S 4.4265 7.9384 115.3960 58.1613 65.0972 174.5510 84 E 3.8396 8.6465 122.8576 59.4444 29.4060 178.7204 85 F 3.9858 8.1902 120.0964 61.3879 39.4866 176.6831 86 D 4.4318 8.0637 118.0930 57.2882 40.6734 178.9664 87 K 2.4880 7.5755 118.8595 58.9231 31.9189 179.5497 88 V 3.4179 7.5539 118.5118 66.0904 31.4479 177.9219 89 I 3.6256 7.5067 118.2440 63.3271 37.5519 177.9506 90 G 3.7735 7.8959 106.9692 47.9359 0.0000 175.6035 91 L 4.2808 7.7938 123.3881 56.8911 41.4144 179.5848 92 E 3.9771 8.1196 117.6045 59.2368 29.5059 178.8045 93 L 4.2470 7.7415 116.6010 55.2152 41.9097 176.5586 94 G 3.4395 7.6046 106.9579 44.6169 0.0000 174.4050 95 A 4.1161 7.8067 124.9889 53.1071 18.7656 178.0759 96 D 4.6844 8.8906 121.8969 56.2066 41.8738 176.0011 97 D 4.7149 7.7250 116.1297 53.5885 44.9831 173.4354 98 Y 5.0453 8.3777 122.9363 56.2265 41.8484 174.0851 99 V 4.6815 8.8166 126.8782 61.2655 34.9498 174.3784 100 T 5.0297 8.6657 117.1213 60.7532 70.6020 173.9224 101 K 4.8960 8.6478 123.7450 54.5471 33.5400 175.0811 102 P 4.5549 0.0000 0.0000 62.2039 32.3952 175.0530 103 F 5.0289 7.4369 113.3842 54.4511 41.2091 174.6674 104 S 4.5151 8.5068 115.1952 57.5239 64.0927 174.5443 105 N 4.6209 8.7575 126.4170 56.6963 38.4280 177.7988 106 R 4.0059 8.0192 119.0112 59.1505 30.1334 178.6161 107 E 3.9433 8.4378 119.2271 59.0242 29.5860 178.4664 108 L 3.8883 8.1134 120.4009 58.3277 42.1463 178.8493 109 Q 4.0316 8.2193 117.5944 59.1230 28.6520 178.9325 110 A 4.0346 8.2235 121.6571 55.3400 18.4325 179.9670 111 R 3.8825 8.4325 116.9970 59.0713 30.1449 179.3339 112 V 3.5129 8.0373 118.4299 65.9474 31.5389 178.1186 113 K 3.9847 8.2362 117.9239 59.5917 31.7522 179.1582 114 A 4.0280 8.2268 120.9775 55.1322 17.8150 179.7251 115 L 3.9494 8.0384 117.5171 57.9689 41.4709 179.7886 116 L 4.0351 7.8155 118.0035 57.5132 41.3639 179.0251 117 R 4.0221 8.1236 118.8992 59.4420 29.8213 178.2111 118 R 4.2554 7.5577 116.5116 57.4112 30.1750 176.7740 119 S 4.5896 7.5284 111.2122 58.0569 63.3892 173.8595 120 Q 4.1315 7.7091 126.5613 56.8058 30.4673 172.8141 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 K 8.17 4.55 0.00 2.06 1.90 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.53 7.81 3 K 9.45 4.94 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.50 7.81 4 I 8.94 4.75 1.75 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.18 0.75 0.00 0.00 5 L 8.63 4.85 0.00 1.78 1.52 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.70 4.52 1.76 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 1.03 0.47 0.81 0.00 0.00 7 V 8.85 4.46 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 0.86 0.00 0.00 0.85 0.00 0.00 8 D 8.77 5.61 0.00 2.65 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 0.00 0.00 0.00 0.00 9 D 8.92 5.15 0.00 2.78 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 E 8.51 4.59 0.00 2.12 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 2.27 2.37 0.00 11 K 8.97 4.10 0.00 1.86 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.78 7.81 12 P 0.00 4.24 0.00 2.22 2.11 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 13 I 7.77 3.91 1.98 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.99 0.00 0.00 14 S 8.23 4.13 0.00 4.01 4.23 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 15 D 8.47 4.50 0.00 2.95 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 16 I 7.80 3.82 2.10 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 1.52 0.84 1.03 0.00 0.00 17 I 8.06 3.88 1.92 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 1.56 1.09 0.89 0.00 0.00 18 K 8.59 3.92 0.00 1.93 2.11 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 F 8.50 4.16 0.00 3.26 3.35 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 20 N 8.53 4.24 0.00 2.95 3.10 0.00 0.00 7.09 7.26 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 21 M 8.53 4.31 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.95 0.00 22 T 8.26 4.00 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 1.18 0.00 0.00 23 K 7.56 3.73 0.00 1.63 1.67 0.00 1.29 0.00 0.00 1.31 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 0.46 7.81 24 E 7.59 4.06 0.00 2.05 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 2.34 2.18 0.00 25 G 8.02 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 26 Y 7.11 4.63 0.00 3.03 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 27 E 9.09 4.27 0.00 2.10 1.86 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 2.32 2.28 0.00 28 V 8.46 4.89 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 0.88 0.00 0.00 0.98 0.00 0.00 29 V 8.73 4.74 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 0.72 0.00 0.00 0.92 0.00 0.00 30 T 8.48 5.07 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 1.18 0.00 0.00 31 A 8.47 4.70 1.16 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 32 F 10.04 4.96 0.00 3.12 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 33 N 7.67 5.00 0.00 2.93 2.96 0.00 0.00 6.09 6.92 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 34 G 8.59 3.56 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 35 R 7.91 3.88 0.00 1.91 1.96 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 8.28 3.97 0.00 2.25 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 2.47 2.45 0.00 37 A 8.24 3.98 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.98 4.09 0.00 1.89 1.81 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.43 3.98 0.00 2.17 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 2.35 2.54 0.00 40 Q 8.57 4.01 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 41 F 8.48 4.20 0.00 3.09 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 42 E 7.91 3.43 0.00 2.05 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 2.47 2.44 0.00 43 A 7.73 4.13 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 44 E 8.41 4.24 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 2.25 2.47 0.00 45 Q 7.68 3.22 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 46 P 0.00 4.47 0.00 2.37 2.07 0.00 3.92 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 2.17 2.11 0.00 47 D 8.66 4.61 0.00 2.66 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 48 I 7.51 4.73 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.70 0.00 0.00 49 I 8.76 4.95 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.83 0.00 0.00 50 I 8.51 4.64 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.72 0.00 0.00 51 L 8.77 4.84 0.00 1.61 1.38 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.79 5.10 0.00 2.62 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 53 L 7.71 4.86 0.00 1.66 1.57 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.91 4.54 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 *58 I 7.80 4.29 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 1.46 1.01 0.93 0.00 0.00 59 D 8.19 4.47 0.00 2.69 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 60 G 8.06 3.63 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 0.00 0.00 0.00 61 L 7.86 4.03 0.00 1.88 1.74 0.97 1.00 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 62 E 8.21 3.96 0.00 2.14 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 2.33 2.46 0.00 63 V 7.89 3.49 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 1.00 0.00 0.00 0.98 0.00 0.00 64 A 7.84 3.82 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 65 K 7.87 3.70 0.00 1.86 2.00 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 T 8.03 3.99 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 1.21 0.00 0.00 67 I 7.73 3.33 1.69 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 0.11 0.24 0.32 0.00 0.00 68 R 7.80 4.34 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 K 7.62 4.19 0.00 1.86 1.89 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 70 T 7.38 4.67 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 1.26 0.00 0.00 71 S 8.24 4.69 0.00 4.18 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 72 S 8.63 4.67 0.00 4.01 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 73 V 7.61 3.66 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 0.65 0.00 0.00 1.07 0.00 0.00 74 P 0.00 4.58 0.00 1.97 2.00 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 75 I 8.92 4.80 1.80 0.00 0.00 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 1.00 0.82 0.83 0.00 0.00 76 L 8.86 4.94 0.00 1.57 1.41 0.82 0.53 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 77 M 8.67 4.63 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 78 L 8.39 4.94 0.00 1.44 1.24 0.44 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.42 4.60 0.00 3.70 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.21 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 81 K 7.90 4.29 0.00 1.96 2.15 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.44 7.81 82 D 8.65 5.01 0.00 2.79 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 83 S 7.94 4.43 0.00 4.12 4.07 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 84 E 8.65 3.84 0.00 2.05 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 2.36 2.34 0.00 85 F 8.19 3.99 0.00 3.11 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 86 D 8.06 4.43 0.00 2.93 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 87 K 7.58 2.49 0.00 1.52 1.45 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.55 1.23 7.81 88 V 7.55 3.42 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 0.97 0.00 0.00 0.89 0.00 0.00 89 I 7.51 3.63 1.23 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.84 0.00 0.00 90 G 7.90 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 91 L 7.79 4.28 0.00 1.79 1.70 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.12 3.98 0.00 1.83 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 2.29 2.38 0.00 93 L 7.74 4.25 0.00 1.90 1.69 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.60 3.44 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 0.00 95 A 7.81 4.12 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.89 4.68 0.00 2.60 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 97 D 7.72 4.71 0.00 2.67 2.42 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 98 Y 8.38 5.05 0.00 2.95 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 99 V 8.82 4.68 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 0.93 0.00 0.00 0.89 0.00 0.00 100 T 8.67 5.03 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 1.42 0.00 0.00 101 K 8.65 4.90 0.00 1.73 1.88 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.84 1.54 7.81 102 P 0.00 4.55 0.00 2.07 1.98 0.00 3.73 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 1.97 1.93 0.00 103 F 7.44 5.03 0.00 3.12 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 0.00 104 S 8.51 4.52 0.00 3.95 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 0.00 105 N 8.76 4.62 0.00 2.85 2.97 0.00 0.00 7.16 7.66 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 0.00 106 R 8.02 4.01 0.00 1.89 2.01 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 107 E 8.44 3.94 0.00 2.10 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 2.34 2.35 0.00 108 L 8.11 3.89 0.00 1.86 1.89 0.64 0.37 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 0.00 109 Q 8.22 4.03 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 110 A 8.22 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.43 3.88 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 112 V 8.04 3.51 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 0.75 0.00 0.00 0.84 0.00 0.00 113 K 8.24 3.98 0.00 2.15 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.58 7.81 114 A 8.23 4.03 1.39 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 0.00 0.00 0.00 115 L 8.04 3.95 0.00 1.92 1.69 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.82 4.04 0.00 1.79 1.76 0.90 0.71 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 0.00 117 R 8.12 4.02 0.00 2.18 2.00 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 118 R 7.56 4.26 0.00 1.97 2.05 0.00 3.31 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 119 S 7.53 4.59 0.00 4.00 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 0.00 120 Q 7.71 4.13 0.00 2.15 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.