NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 3.7031 8.0327 115.1639 61.5400 69.0362 172.1743 2 F 4.7486 8.6850 131.0850 56.7707 40.7034 172.6663 3 Q 4.1637 8.2519 129.2789 53.5199 31.6221 173.9005 4 A 4.0508 8.1624 128.8828 52.2659 18.8998 177.1001 5 S 4.2138 8.6667 114.9664 60.8029 65.1171 174.9925 6 G 4.1672 7.9977 114.9978 44.3864 0.0000 170.1992 7 T 4.6847 8.2267 110.2727 60.4851 72.1901 173.1350 8 T 5.0487 8.4938 118.1572 61.7624 70.8204 174.2445 9 G 4.2386 9.0905 113.4960 44.4699 0.0000 171.8807 10 I 5.1020 8.3709 124.6168 59.8325 39.2691 175.1497 11 T 4.7234 8.9543 123.0010 62.0160 71.7800 173.1217 12 T 5.1753 8.5652 121.5533 61.6948 72.1678 173.1504 13 L 4.9115 9.1783 126.9187 53.7332 46.0527 174.8195 14 T 5.1334 8.8678 122.9207 61.9229 70.9684 173.5653 15 V 4.6974 8.9469 127.7567 62.3538 33.3809 174.9420 16 T 5.0871 8.6611 116.7837 59.8980 72.9607 172.8261 17 E 4.5446 8.5047 121.0512 55.4159 31.0823 176.7848 18 E 4.0376 8.6703 118.3743 59.6469 29.6135 177.4763 19 C 4.4389 7.8867 118.7943 58.3429 32.3130 172.5368 20 R 4.6708 8.2319 122.0441 54.4799 32.1349 174.3836 21 V 4.2795 8.1754 118.4406 61.1632 33.5429 174.8234 22 Q 4.3602 8.6537 126.7358 54.8339 29.6132 175.3396 23 V 4.3250 8.1719 122.1985 61.9535 34.7126 175.9268 24 G 3.9150 8.7265 114.4493 45.3500 0.0000 172.9742 25 N 4.2600 8.7262 120.5746 53.4840 39.0515 174.6657 26 V 3.8139 8.3073 122.9883 62.8147 32.0416 175.1867 27 T 4.6980 8.1087 115.8853 59.2528 72.0872 173.2395 28 A 4.3468 8.3849 124.3742 52.4381 19.5229 176.6136 29 T 5.1723 8.3402 110.2919 60.0903 72.4914 173.2769 30 L 4.8082 8.6449 121.7998 52.9000 46.3218 176.1677 31 A 4.4993 8.6832 125.9133 51.9578 19.4894 178.2878 32 R 3.9176 8.7184 120.4109 59.6677 29.9910 179.6549 33 S 4.3210 8.0117 111.0472 60.0869 63.2094 175.2044 34 K 4.4106 7.7917 121.1653 55.7587 33.7010 177.1723 35 L 4.2948 7.7362 122.5287 53.4686 40.3501 176.0419 36 K 4.8343 7.6190 119.8459 54.0048 34.7326 176.2168 37 D 4.4664 9.0071 120.9302 56.4637 41.3122 176.7771 38 D 4.5986 8.9327 124.4691 54.7215 39.3090 174.2175 39 T 4.1161 7.7631 117.6695 63.1236 69.3761 173.9372 40 A 4.2417 8.6634 128.6082 52.6219 18.6345 176.3573 41 I 4.1389 8.3003 122.6534 62.0808 39.4492 175.7927 42 G 4.0024 7.1007 105.9193 46.0791 0.0000 171.8188 43 V 5.0608 8.4026 118.3127 61.0196 35.0192 174.6087 44 I 4.6260 8.6829 125.4457 58.9627 41.2020 174.7324 45 G 3.9566 8.8031 116.4533 46.2596 0.0000 172.9998 46 V 4.7236 8.6356 122.5638 61.3682 35.2952 174.1577 47 T 4.9943 8.7488 123.1466 61.9294 71.6714 172.8232 48 A 4.9116 9.4743 129.3995 50.2353 21.1809 175.3546 49 L 4.6851 8.3722 121.9628 53.3689 45.5183 176.5882 50 G 3.8911 8.8929 108.6184 47.1690 0.0000 173.8011 51 C 4.5780 8.5034 115.0777 58.7515 28.6181 173.2022 52 N 4.1906 8.1980 117.8867 55.6579 38.4754 175.0716 53 G 3.9584 9.0625 112.4942 45.4693 0.0000 172.6516 54 L 4.8622 7.8406 118.7541 52.8247 46.4649 175.4436 55 Q 4.7321 8.1574 120.8089 54.2761 30.2837 175.4283 56 A 4.6475 8.4969 126.0601 52.6065 19.8983 175.8073 57 A 5.5469 9.3600 120.9875 50.8994 23.5107 175.1498 58 L 5.4872 9.5746 119.4624 52.9919 45.5237 175.4807 59 Q 4.6320 8.7553 123.6113 53.8022 31.3848 174.6993 60 A 4.6474 8.8588 129.0550 51.6285 19.3285 176.7269 61 D 4.6418 8.5884 120.4786 53.5580 42.0341 175.8404 62 P 3.9765 0.0000 0.0000 65.5465 31.2947 177.0647 63 D 4.6058 8.5876 117.7275 55.9033 40.9852 176.3707 64 N 4.9472 8.6230 116.0878 51.9770 39.4693 173.2916 65 Y 4.4571 6.9357 115.0579 55.8027 41.0077 173.1389 66 D 4.7785 8.7305 118.7629 51.8495 42.3613 175.6860 67 A 4.2307 8.8816 120.4831 55.1672 18.5438 178.5346 68 T 4.5635 8.0349 110.2438 64.1524 70.8844 174.3903 69 N 5.1846 9.1731 117.6751 51.1251 41.9232 172.7858 70 L 4.9475 8.1129 122.9688 54.2002 43.8138 174.7714 71 Y 5.3674 8.4507 123.1762 55.7824 41.8178 174.2147 72 M 4.7144 9.0697 121.7469 55.6331 33.7396 175.4213 73 T 5.3660 9.0089 111.9301 60.0852 72.6149 173.8720 74 S 5.1845 8.4106 119.1822 56.2446 64.9835 175.0059 75 R 3.8204 8.4520 119.2991 58.9817 29.8277 176.4951 76 N 4.7212 7.7937 113.1609 52.7477 38.5472 174.4307 77 H 3.8044 8.0859 114.3827 56.9884 27.0384 173.8886 *79 D 4.6776 7.6531 116.9213 54.3014 42.5682 174.6590 80 K 4.9766 8.5945 120.0032 54.5417 35.4973 175.3604 81 L 4.6103 8.9713 127.6508 52.9911 43.8836 175.1236 82 N 5.0839 9.2901 125.5078 53.7886 39.5086 175.0241 83 V 5.1518 8.7221 116.2634 59.5808 36.4068 174.5586 84 K 4.4217 8.7559 119.5347 55.3096 36.2314 175.1044 85 L 4.9489 7.8500 120.3804 52.9312 44.3676 176.0364 86 K 4.6254 8.2906 122.8304 54.8758 35.6924 174.9570 87 A 4.7046 8.6841 129.6471 52.2312 19.2094 178.2145 88 T 4.1264 9.0774 111.9219 63.0748 69.3295 175.0626 89 D 4.7101 8.3591 120.7854 52.9051 39.8788 177.3024 90 G 4.0007 8.0262 107.2554 45.6831 0.0000 174.4364 91 S 4.2933 8.2984 114.0987 58.2582 63.6999 173.4703 92 S 4.6558 8.2916 116.5612 57.4253 63.4530 172.8738 93 W 5.0386 8.5642 125.2471 55.1740 33.4110 174.2587 94 T 4.4104 8.0237 118.0465 61.7826 71.0995 172.4501 95 Y 5.0680 8.2439 126.7067 55.9359 41.0118 175.0682 96 G 3.4713 8.2888 111.5351 46.0057 0.0000 172.9460 97 N 4.2499 9.6063 118.8923 54.1742 36.3035 175.5202 98 G 2.6760 7.6180 104.5731 44.7053 0.0000 172.9813 99 V 4.6910 7.1619 120.0743 60.7647 34.6248 173.9963 100 F 5.5763 9.4741 130.5140 56.7820 41.5086 173.3177 101 Y 5.2952 8.2701 124.8047 54.8216 41.1666 174.7081 102 K 2.7683 8.1079 123.9236 55.9933 32.3503 176.9329 103 T 3.8551 7.9592 124.9386 66.5486 68.7166 174.9006 104 E 4.2176 7.6485 119.4848 54.9368 30.5761 176.7013 105 G 3.6448 8.2401 112.3126 45.1857 0.0000 172.4837 106 G 3.8578 8.7480 105.9925 43.8958 0.0000 173.0559 107 N 4.8510 8.2138 115.4739 53.5071 39.3708 174.9107 108 W 5.0370 8.6675 129.4430 56.6654 34.7886 173.4147 109 G 3.9221 7.6863 111.6683 43.7931 0.0000 173.5283 110 G 3.6682 7.0866 110.0181 45.9962 0.0000 171.1629 111 H 5.3116 8.0971 117.5769 54.1148 33.7636 172.6039 112 V 4.5729 8.8798 122.5107 61.0036 33.7210 174.9576 113 G 4.0440 9.0890 116.3033 45.9698 0.0000 172.1479 114 I 5.0918 8.7172 124.8081 59.2388 40.0133 174.9761 115 S 5.0175 8.6320 120.2013 56.0896 67.2121 173.4437 116 V 3.7500 8.6607 121.6903 63.4586 32.3639 174.4527 117 D 4.8311 9.0493 128.6634 53.6504 41.1474 175.8263 118 G 4.0139 9.5185 111.6291 45.1453 0.0000 171.2431 119 N 4.5409 8.4208 119.1443 53.7640 39.4344 175.6865 120 Q 4.6093 8.9709 124.6050 55.3722 29.8856 176.6631 121 T 4.2772 7.9632 107.4332 63.6227 69.3688 174.7629 122 D 4.6165 7.8424 120.7748 54.7427 41.4331 176.7528 123 K 4.2272 7.5514 119.3475 55.3357 32.6299 175.2458 124 P 4.6035 0.0000 0.0000 62.1241 32.2939 176.2711 125 T 4.1373 8.1970 109.5123 61.8411 69.3709 174.1401 126 G 4.0767 7.8154 109.4393 43.5324 0.0000 171.2437 127 E 4.6840 8.3017 121.2862 55.4745 30.9214 174.6694 128 Y 5.2176 9.4713 124.8423 56.6262 41.1579 174.9471 129 T 5.2330 9.0054 118.6777 61.7662 73.2709 172.7197 130 L 5.0995 9.0849 126.2307 53.5300 45.5510 174.5998 131 N 5.4828 9.3188 123.6281 51.4949 41.4387 173.6987 132 L 5.1779 8.7687 122.6629 53.2587 45.4427 175.5033 133 T 5.0417 8.9324 120.6541 61.6539 71.4697 174.2378 134 G 4.2053 9.2795 113.4834 46.5272 0.0000 173.5719 135 G 4.4083 8.6171 107.3182 46.1880 0.0000 171.5550 136 Y 5.5878 7.2938 118.2107 55.2859 41.3168 173.9644 137 W 5.3440 9.4983 130.8404 55.9168 32.9307 174.7384 138 T 4.7734 8.0803 116.6459 59.7934 71.4739 173.8515 139 N 4.3374 8.4049 118.6220 53.4576 39.1004 174.7093 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 T 8.03 3.70 3.89 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 0.88 0.00 0.00 2 F 8.69 4.75 0.00 3.32 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 3 Q 8.25 4.16 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 4 A 8.16 4.05 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 5 S 8.67 4.21 0.00 3.90 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 6 G 8.00 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 0.00 0.00 0.00 0.00 7 T 8.23 4.68 4.29 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 1.26 0.00 0.00 8 T 8.49 5.05 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 1.33 0.00 0.00 9 G 9.09 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.37 5.10 1.89 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 1.61 0.68 0.93 0.00 0.00 11 T 8.95 4.72 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 1.19 0.00 0.00 12 T 8.57 5.18 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 1.24 0.00 0.00 13 L 9.18 4.91 0.00 1.67 1.45 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.87 5.13 4.27 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 1.30 0.00 0.00 15 V 8.95 4.70 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 1.01 0.00 0.00 0.67 0.00 0.00 16 T 8.66 5.09 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 1.26 0.00 0.00 17 E 8.50 4.54 0.00 2.15 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 2.31 2.27 0.00 18 E 8.67 4.04 0.00 1.95 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 2.31 2.23 0.00 19 C 7.89 4.44 0.00 2.93 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 20 R 8.23 4.67 0.00 1.90 1.82 0.00 3.24 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 21 V 8.18 4.28 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 0.87 0.00 0.00 0.93 0.00 0.00 22 Q 8.65 4.36 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 23 V 8.17 4.33 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 0.82 0.00 0.00 0.93 0.00 0.00 24 G 8.73 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 0.00 0.00 0.00 25 N 8.73 4.26 0.00 2.73 2.79 0.00 0.00 6.70 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 26 V 8.31 3.81 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 0.81 0.00 0.00 0.93 0.00 0.00 27 T 8.11 4.70 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 1.27 0.00 0.00 28 A 8.38 4.35 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 29 T 8.34 5.17 4.31 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 1.28 0.00 0.00 30 L 8.64 4.81 0.00 1.53 1.49 0.87 0.72 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 31 A 8.68 4.50 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 32 R 8.72 3.92 0.00 1.87 2.17 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 33 S 8.01 4.32 0.00 4.01 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 34 K 7.79 4.41 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 35 L 7.74 4.29 0.00 1.82 1.54 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.62 4.83 0.00 1.88 1.67 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.47 7.81 37 D 9.01 4.47 0.00 2.65 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 38 D 8.93 4.60 0.00 2.86 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 39 T 7.76 4.12 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 1.17 0.00 0.00 40 A 8.66 4.24 1.19 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 0.00 0.00 41 I 8.30 4.14 1.95 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 1.09 0.78 0.87 0.00 0.00 42 G 7.10 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 43 V 8.40 5.06 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 0.90 0.00 0.00 0.91 0.00 0.00 44 I 8.68 4.63 1.85 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 1.18 1.60 0.93 0.00 0.00 45 G 8.80 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 46 V 8.64 4.72 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 1.52 0.00 0.00 1.07 0.00 0.00 47 T 8.75 4.99 4.27 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 1.21 0.00 0.00 48 A 9.47 4.91 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 49 L 8.37 4.69 0.00 1.53 1.56 0.95 1.01 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 50 G 8.89 3.89 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 0.00 0.00 0.00 51 C 8.50 4.58 0.00 3.08 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 52 N 8.20 4.19 0.00 2.66 2.74 0.00 0.00 7.20 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 53 G 9.06 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 54 L 7.84 4.86 0.00 1.48 1.33 0.30 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.16 4.73 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 56 A 8.50 4.65 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 57 A 9.36 5.55 1.69 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 58 L 9.57 5.49 0.00 1.73 1.62 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.76 4.63 0.00 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 60 A 8.86 4.65 1.23 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 0.00 0.00 61 D 8.59 4.64 0.00 2.77 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 62 P 0.00 3.98 0.00 2.15 2.08 0.00 3.87 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 2.00 2.02 0.00 63 D 8.59 4.61 0.00 2.89 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 64 N 8.62 4.95 0.00 2.90 2.81 0.00 0.00 6.77 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 65 Y 6.94 4.46 0.00 3.07 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 66 D 8.73 4.78 0.00 2.98 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 67 A 8.88 4.23 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 68 T 8.03 4.56 4.34 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 1.28 0.00 0.00 69 N 9.17 5.18 0.00 2.96 2.97 0.00 0.00 6.58 6.77 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 70 L 8.11 4.95 0.00 1.16 1.28 0.84 0.28 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 71 Y 8.45 5.37 0.00 2.96 3.15 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 0.00 0.00 0.00 72 M 9.07 4.71 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 73 T 9.01 5.37 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 1.49 0.00 0.00 74 S 8.41 5.18 0.00 3.39 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 75 R 8.45 3.82 0.00 1.74 1.94 0.00 3.19 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 76 N 7.79 4.72 0.00 2.90 2.77 0.00 0.00 7.01 7.44 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 77 H 8.09 3.80 0.00 3.30 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 D 7.65 4.68 0.00 2.45 2.75 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 80 K 8.59 4.98 0.00 1.29 1.10 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.72 1.27 7.81 81 L 8.97 4.61 0.00 1.17 1.32 0.73 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 82 N 9.29 5.08 0.00 2.87 2.75 0.00 0.00 6.45 8.06 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 83 V 8.72 5.15 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 0.71 0.00 0.00 0.81 0.00 0.00 84 K 8.76 4.42 0.00 1.58 1.67 0.00 1.19 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.28 7.81 85 L 7.85 4.95 0.00 0.27 0.31 0.21 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.29 4.63 0.00 1.75 1.53 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 87 A 8.68 4.70 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 88 T 9.08 4.13 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 1.24 0.00 0.00 89 D 8.36 4.71 0.00 2.97 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 90 G 8.03 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 91 S 8.30 4.29 0.00 3.93 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 92 S 8.29 4.66 0.00 3.87 3.62 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 W 8.56 5.04 0.00 2.45 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 94 T 8.02 4.41 2.69 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 0.88 0.00 0.00 95 Y 8.24 5.07 0.00 3.20 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 96 G 8.29 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.61 4.25 0.00 2.80 2.92 0.00 0.00 7.07 7.65 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 98 G 7.62 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 0.00 0.00 0.00 99 V 7.16 4.69 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 1.29 0.00 0.00 0.98 0.00 0.00 100 F 9.47 5.58 0.00 3.09 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 0.00 101 Y 8.27 5.30 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 0.00 102 K 8.11 2.77 0.00 0.79 0.84 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 0.21 7.81 103 T 7.96 3.86 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 1.09 0.00 0.00 104 E 7.65 4.22 0.00 1.80 1.78 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 2.14 2.16 0.00 105 G 8.24 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 0.00 106 G 8.75 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 0.00 107 N 8.21 4.85 0.00 2.68 2.94 0.00 0.00 6.57 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 0.00 108 W 8.67 5.04 0.00 3.39 3.14 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 0.00 109 G 7.69 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 0.00 0.00 0.00 110 G 7.09 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 5.31 0.00 3.12 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.88 4.57 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 0.60 0.00 0.00 0.78 0.00 0.00 113 G 9.09 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 0.00 0.00 0.00 0.00 114 I 8.72 5.09 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.80 0.00 0.00 115 S 8.63 5.02 0.00 3.89 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 0.00 116 V 8.66 3.75 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 0.94 0.00 0.00 0.85 0.00 0.00 117 D 9.05 4.83 0.00 2.52 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 0.00 118 G 9.52 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 0.00 119 N 8.42 4.54 0.00 2.71 2.77 0.00 0.00 6.74 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 0.00 120 Q 8.97 4.61 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 121 T 7.96 4.28 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 1.24 0.00 0.00 122 D 7.84 4.62 0.00 2.68 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 0.00 123 K 7.55 4.23 0.00 1.71 1.76 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.44 7.81 124 P 0.00 4.60 0.00 2.22 2.08 0.00 3.92 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 2.08 2.07 0.00 125 T 8.20 4.14 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 1.24 0.00 0.00 126 G 7.82 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 0.00 127 E 8.30 4.68 0.00 2.07 1.80 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 2.35 2.37 0.00 128 Y 9.47 5.22 0.00 2.89 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 0.00 129 T 9.01 5.23 4.27 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 1.24 0.00 0.00 130 L 9.08 5.10 0.00 1.69 1.45 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 131 N 9.32 5.48 0.00 2.70 2.71 0.00 0.00 6.34 6.04 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 0.00 132 L 8.77 5.18 0.00 1.57 1.54 0.82 0.29 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 0.00 133 T 8.93 5.04 4.34 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 1.38 0.00 0.00 134 G 9.28 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 0.00 0.00 0.00 0.00 135 G 8.62 4.41 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 0.00 136 Y 7.29 5.59 0.00 3.17 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 0.00 137 W 9.50 5.34 0.00 3.38 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 0.00 138 T 8.08 4.77 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 1.34 0.00 0.00 139 N 8.40 4.34 0.00 2.67 2.70 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.