NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9366 8.3549 109.7356 44.9408 0.0000 173.9566 6 P 4.2934 0.0000 0.0000 62.0875 32.5094 176.1745 7 S 4.4004 9.3032 118.0799 60.6711 64.2793 174.4759 8 S 4.7204 7.4193 114.2980 57.1201 66.6878 173.2210 9 Q 4.6049 8.0140 117.1527 55.6962 31.4462 173.0057 10 N 5.0028 8.4657 119.3986 53.4213 39.3156 174.7627 11 V 4.4637 8.1588 114.6239 61.2477 34.6058 173.6960 12 T 4.3821 8.4129 122.1888 61.7432 70.0156 173.5819 13 E 4.6189 8.3680 125.9514 54.6483 31.4871 174.7805 14 Y 4.9583 8.3370 120.3939 55.8794 41.1114 175.8195 15 V 3.9118 8.6629 123.3579 63.0416 33.1773 174.5563 16 V 4.9959 8.4016 125.8450 61.2061 33.9136 174.6786 17 R 4.5788 9.1015 126.3909 54.4589 33.7240 174.9278 18 V 4.2301 7.9021 121.5842 58.4238 31.6624 172.0573 19 P 4.2530 0.0000 0.0000 62.6194 31.9122 176.4976 20 K 4.4019 8.6230 121.2194 57.0722 33.8408 177.0545 21 N 4.7335 7.8936 117.9638 51.3775 35.9586 173.7927 22 T 4.7546 7.6248 116.2505 61.3144 70.7269 173.2100 23 T 4.6635 8.5051 115.9794 61.1162 69.2353 173.9487 24 K 4.6006 7.7388 119.4722 55.1404 35.9014 175.7714 25 K 4.6844 8.3940 120.7829 54.8922 34.3929 175.1181 26 Y 4.5392 8.6898 120.4985 56.5440 39.8558 174.4899 27 N 5.6256 8.7727 120.3086 51.5605 42.9405 173.4626 28 I 4.1863 8.4502 121.2708 59.7564 39.6432 174.5920 29 M 4.9245 8.4533 126.0550 53.8975 33.9204 174.1910 30 A 4.7663 9.0458 129.2669 50.1465 21.5789 175.1114 31 F 5.2452 8.7582 120.5783 55.4075 42.1673 175.0163 32 N 4.5882 9.0056 120.9960 53.0101 39.8675 175.6400 33 A 4.0358 8.9294 127.7479 55.3313 18.6787 179.5410 34 A 4.0567 8.3948 117.9670 55.1822 18.4643 178.1030 35 D 4.5723 8.2567 113.5877 54.5802 41.5621 176.9757 36 K 3.7250 7.6804 115.1811 57.4735 29.5549 173.6108 37 V 3.7611 7.1974 118.8798 61.6494 32.8146 174.8055 38 N 4.3748 8.0462 123.9268 51.4086 40.9717 174.8046 39 F 2.8397 7.5892 125.0996 59.7312 39.2656 177.6900 40 A 4.0178 7.9963 122.9212 55.0986 18.2298 178.2266 41 T 4.2050 7.5061 104.0796 62.4322 69.3086 174.6731 42 W 4.6278 8.1713 123.9487 56.4868 29.5229 175.6572 43 N 4.7530 9.6357 122.2662 55.0728 39.1689 175.3155 44 Q 4.8198 7.7766 113.0390 55.4515 31.7903 173.2878 45 A 5.0171 8.3469 120.4857 50.9009 22.4264 175.6613 46 R 4.6626 8.9802 119.2391 54.2612 33.8145 175.1507 47 L 5.0823 8.3906 123.4327 53.6870 44.5569 175.1033 48 E 5.1818 9.2340 125.2166 54.4375 34.3608 175.4129 49 R 3.9062 8.6624 121.5692 56.2452 30.9262 175.7806 50 D 4.5087 8.7193 124.7784 53.1035 41.4618 175.5548 51 L 4.5790 8.2231 125.4561 54.6995 42.0895 178.0331 52 S 4.2338 8.4907 118.1165 61.3371 63.0249 175.2833 53 N 4.8174 7.6441 117.8762 51.8349 37.2466 174.0820 54 K 4.5604 7.9203 120.9084 57.5047 34.3751 177.3673 55 K 5.0744 7.9906 117.7169 54.9027 35.5033 176.0818 56 I 4.6534 8.1746 115.3842 59.4497 41.3153 173.2953 57 Y 4.9079 8.5955 122.2176 56.4583 39.6746 174.6398 58 Q 4.6501 8.6323 125.3029 53.8770 31.9844 174.1818 59 E 4.6194 8.8175 127.4775 56.3564 30.6565 175.3559 60 E 4.8239 9.3783 126.8849 54.0651 33.4772 174.1281 61 E 3.5517 8.7822 127.2085 56.2573 30.5447 175.5633 62 M 4.2655 8.4226 126.5294 55.9995 32.2064 179.0441 *73 R 4.3801 8.6982 115.4372 55.5259 30.6493 173.9543 74 K 4.6810 8.2485 114.2469 54.5579 35.5061 176.1715 75 L 4.0081 8.2970 120.3906 54.5582 42.0862 177.1012 76 R 3.8580 8.9834 120.6293 57.8455 29.7443 175.9955 77 E 3.6091 7.7201 121.5836 53.1585 30.7959 178.3523 78 E 3.9274 9.1231 121.9451 57.3735 27.6882 177.2229 79 A 4.0691 7.8789 124.2856 52.8061 16.7679 177.6493 80 R 4.5628 8.4443 117.6104 58.5903 34.6934 175.5081 81 R 4.7652 7.7350 116.0661 55.2027 30.9282 175.3695 82 K 4.3572 7.9750 116.3284 55.8913 33.8106 177.2211 83 K 4.6598 8.1953 120.7102 56.0234 33.7966 175.3977 84 Y 5.0972 8.6382 119.9465 56.7159 42.4654 174.7729 85 G 4.3823 9.1628 107.7459 45.0570 0.0000 171.1642 86 I 5.3137 8.3822 111.5738 59.1142 41.1572 175.0090 87 V 4.4734 8.6227 122.5209 60.9508 34.9641 174.1054 88 L 4.1724 8.6264 129.7720 54.6102 42.9503 175.6837 89 K 4.1829 8.4667 126.4565 54.5853 33.9905 175.2818 90 E 5.4429 8.6564 123.9403 53.8971 32.3833 175.3060 91 F 4.9073 8.8021 120.2594 55.8807 41.2763 176.1552 92 R 4.2618 8.5251 121.0912 55.1777 31.0918 175.9755 93 P 4.1726 0.0000 0.0000 65.8087 31.4857 178.6001 94 E 3.9957 8.1601 116.0770 58.5576 29.4509 177.1026 95 D 4.7937 7.9755 116.9534 53.9235 41.4494 176.4941 96 Q 4.1047 7.5618 119.2115 54.4355 29.6597 174.0668 97 P 4.5746 0.0000 0.0000 62.6342 33.2106 175.0307 98 W 5.0721 8.7077 120.4746 55.5303 31.5789 175.1806 99 L 5.2125 9.2719 125.1657 53.3357 44.3666 174.6262 100 L 5.1240 9.4267 129.2880 53.5029 44.3403 175.0051 101 R 4.9925 8.9322 125.6311 54.4989 33.0322 174.7906 102 V 4.2915 8.5824 124.6709 61.4399 33.9929 175.3669 103 N 4.1980 9.5967 123.5528 54.2631 36.8612 175.6292 104 G 3.8753 7.7566 107.4683 44.3192 0.0000 174.3694 105 K 3.7688 8.7902 117.3678 59.5893 31.8418 178.1194 106 S 4.3912 7.9096 109.3876 58.5520 63.6497 174.0908 107 G 4.4776 7.5421 108.9530 45.0659 0.0000 173.6158 108 R 4.2327 8.3085 117.8853 55.9216 31.5572 176.2922 109 K 5.0591 8.0385 120.1412 54.7251 36.3140 175.2041 110 F 5.3907 9.6483 122.0255 55.6909 43.7116 173.4843 111 K 4.9378 9.3391 123.6513 54.7440 34.4736 174.9472 112 G 3.0884 8.9682 115.1443 44.1406 0.0000 172.0658 113 I 4.8582 8.1342 126.8281 58.9381 39.8616 175.3021 114 K 4.1365 8.7487 128.5017 56.1856 32.8453 176.0620 115 K 4.1065 8.7874 129.9748 55.6938 32.5653 177.1062 116 G 3.8944 8.8119 116.4767 45.3754 0.0000 175.2031 117 G 3.8933 8.1305 104.8977 45.0941 0.0000 176.5320 118 V 3.7464 9.2854 126.7479 61.8387 31.6778 169.4479 119 T 3.9455 8.3572 123.9839 64.5123 68.8592 172.9132 120 E 4.6818 8.2825 123.5210 55.4683 32.4358 174.1786 121 N 4.9776 8.6136 119.0891 52.4399 37.7579 173.7052 122 T 4.6412 7.3821 107.4875 61.3377 71.6997 172.2237 123 S 4.5198 7.9816 114.6896 57.6790 65.6745 173.1914 124 Y 4.9199 8.3952 118.3753 57.2526 39.8294 174.3975 125 Y 5.1614 8.8866 118.8388 56.4073 42.2198 174.6973 126 I 4.6019 9.2501 123.7562 60.1068 39.3015 174.5647 127 F 5.3019 9.2190 126.0484 56.0493 40.5999 175.1675 128 T 4.8723 9.2233 114.3615 59.8837 72.1260 172.7858 129 Q 4.5314 8.2638 122.9144 54.3899 32.0605 174.9457 130 C 4.4680 8.8927 124.1564 58.3336 29.1897 173.0033 131 P 4.1650 0.0000 0.0000 65.4860 30.9059 177.3138 132 D 4.5662 7.9235 115.0917 53.2742 39.8271 176.5788 133 G 4.0684 8.1618 108.8440 44.7982 0.0000 174.4116 134 A 4.4159 8.2371 121.7834 52.3078 19.7096 176.5406 135 F 5.0693 9.4219 120.0588 55.9892 41.7546 174.7905 136 E 4.9275 9.1845 121.8208 54.4126 32.2778 174.7016 137 A 4.7977 8.2243 126.5208 49.8628 21.9121 175.1405 138 F 4.8974 8.9845 120.2537 54.6603 42.9870 172.9182 139 P 3.8218 0.0000 0.0000 62.2404 32.2113 176.0171 140 V 3.8834 8.0381 123.1227 63.5683 31.4907 175.1203 141 H 4.6216 9.9137 129.9831 58.6865 29.7859 174.6164 142 N 5.1437 8.7727 114.0497 51.0094 43.4884 172.6260 143 W 4.8803 8.4200 130.2087 55.9022 33.6290 173.4855 144 Y 5.2758 9.2176 125.2060 56.3387 40.9879 174.3949 145 N 5.3616 9.1920 121.4509 52.0327 40.5566 173.8408 146 F 5.3547 9.2176 124.0563 56.0166 40.6425 175.5603 147 T 5.1559 8.9317 113.1282 58.9762 72.6593 171.5361 148 P 4.3824 0.0000 0.0000 63.0319 32.0779 177.3758 149 L 3.9393 8.8690 125.2538 57.8600 42.2062 178.8405 150 A 4.1177 7.9122 119.9127 54.2487 18.4068 177.8665 151 R 4.2724 7.9740 113.5845 56.2915 30.4735 175.9622 152 H 4.6138 8.0064 116.5574 54.1039 29.0581 174.2890 153 R 4.5727 8.4304 125.4420 54.7843 31.7124 174.0442 154 T 4.4516 8.7376 122.6500 63.2866 74.1277 176.9910 155 L 3.6010 7.6118 125.4699 56.8869 38.9069 175.8401 156 T 4.6190 7.1167 115.9874 61.3766 72.8687 175.5542 157 A 4.0075 8.8569 128.6609 55.2706 18.4506 178.1238 158 E 4.7302 8.0108 113.0241 55.7585 29.8016 176.6495 159 E 4.5364 8.5739 120.3362 56.2298 32.3767 177.7756 160 A 4.0631 8.2037 120.2936 55.2028 18.4636 178.9986 161 E 3.9823 8.0337 118.0165 59.3925 29.1809 178.9940 162 E 4.0698 8.1904 118.2189 59.4902 29.5781 178.6831 163 E 4.0882 8.5837 119.5737 59.0650 29.5358 178.5757 164 W 4.1483 8.9703 128.8322 60.5865 30.5058 177.7930 165 E 4.1701 8.1766 117.9929 58.9734 28.9823 178.7421 166 R 4.2311 7.5966 114.2490 57.5180 30.0837 178.3889 167 R 4.0489 7.4114 118.7502 58.1418 30.4353 175.9974 168 N 4.2384 7.2461 118.9919 53.0947 38.7393 174.6291 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 5 G 8.35 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 6 P 0.00 4.29 0.00 2.13 1.99 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 7 S 9.30 4.40 0.00 3.86 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 8 S 7.42 4.72 0.00 3.79 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 9 Q 8.01 4.60 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 10 N 8.47 5.00 0.00 2.65 2.35 0.00 0.00 6.78 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 11 V 8.16 4.46 2.06 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 0.85 0.00 0.00 0.93 0.00 0.00 12 T 8.41 4.38 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 0.60 0.00 0.00 13 E 8.37 4.62 0.00 1.85 1.82 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 2.20 2.25 0.00 14 Y 8.34 4.96 0.00 3.08 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 15 V 8.66 3.91 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 1.01 0.00 0.00 0.98 0.00 0.00 16 V 8.40 5.00 2.10 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 0.77 0.00 0.00 1.09 0.00 0.00 17 R 9.10 4.58 0.00 1.62 1.67 0.00 3.09 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 18 V 7.90 4.23 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 0.98 0.00 0.00 0.69 0.00 0.00 19 P 0.00 4.25 0.00 2.14 2.03 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 20 K 8.62 4.40 0.00 1.74 1.87 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.52 7.81 21 N 7.89 4.73 0.00 2.86 2.88 0.00 0.00 5.74 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 22 T 7.62 4.75 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 1.38 0.00 0.00 23 T 8.51 4.66 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 1.23 0.00 0.00 24 K 7.74 4.60 0.00 1.58 1.29 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.12 1.26 7.81 25 K 8.39 4.68 0.00 1.75 1.77 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.31 7.81 26 Y 8.69 4.54 0.00 3.11 2.89 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 27 N 8.77 5.63 0.00 2.61 2.99 0.00 0.00 7.00 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 28 I 8.45 4.19 0.98 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.11 -0.37 0.00 0.00 29 M 8.45 4.92 0.00 1.77 1.64 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.90 0.00 30 A 9.05 4.77 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 31 F 8.76 5.25 0.00 2.87 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 32 N 9.01 4.59 0.00 2.86 2.99 0.00 0.00 7.04 8.05 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 33 A 8.93 4.04 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 34 A 8.39 4.06 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 35 D 8.26 4.57 0.00 3.03 2.96 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 36 K 7.68 3.72 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.57 7.81 37 V 7.20 3.76 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 -0.36 0.00 0.00 0.62 0.00 0.00 38 N 8.05 4.37 0.00 2.62 2.50 0.00 0.00 7.22 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 39 F 7.59 2.84 0.00 2.85 2.45 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 40 A 8.00 4.02 1.26 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 0.00 0.00 0.00 41 T 7.51 4.21 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 1.23 0.00 0.00 42 W 8.17 4.63 0.00 3.42 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 43 N 9.64 4.75 0.00 2.82 2.89 0.00 0.00 6.88 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 44 Q 7.78 4.82 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 45 A 8.35 5.02 1.03 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 0.00 0.00 46 R 8.98 4.66 0.00 1.71 1.92 0.00 3.06 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 47 L 8.39 5.08 0.00 1.39 1.31 0.78 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.23 5.18 0.00 2.03 1.85 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 2.30 2.35 0.00 49 R 8.66 3.91 0.00 1.52 1.60 0.00 2.84 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.17 0.00 50 D 8.72 4.51 0.00 2.66 2.62 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 51 L 8.22 4.58 0.00 1.64 1.63 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.49 4.23 0.00 3.83 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 53 N 7.64 4.82 0.00 2.47 2.66 0.00 0.00 6.88 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 54 K 7.92 4.56 0.00 1.73 1.88 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.64 7.81 55 K 7.99 5.07 0.00 1.42 1.82 0.00 1.40 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.46 7.81 56 I 8.17 4.65 1.89 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 1.14 0.51 1.11 0.00 0.00 57 Y 8.60 4.91 0.00 2.86 2.88 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 0.00 0.00 0.00 58 Q 8.63 4.65 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 59 E 8.82 4.62 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 2.46 2.55 0.00 60 E 9.38 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 79 A 7.88 4.07 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 80 R 8.44 4.56 0.00 1.81 1.90 0.00 3.12 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 81 R 7.73 4.77 0.00 1.75 1.86 0.00 3.21 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 1.54 1.78 0.00 82 K 7.97 4.36 0.00 2.04 1.60 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 83 K 8.20 4.66 0.00 1.66 1.68 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 84 Y 8.64 5.10 0.00 2.71 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 85 G 9.16 4.38 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 0.00 86 I 8.38 5.31 1.96 0.00 0.00 0.59 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 0.81 0.91 0.00 0.00 87 V 8.62 4.47 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 0.81 0.00 0.00 0.90 0.00 0.00 88 L 8.63 4.17 0.00 1.63 1.50 0.41 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.47 4.18 0.00 0.96 0.74 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.44 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.99 0.68 7.81 90 E 8.66 5.44 0.00 1.86 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 2.12 2.11 0.00 91 F 8.80 4.91 0.00 2.90 2.96 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 92 R 8.53 4.26 0.00 1.88 1.85 0.00 3.11 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 93 P 0.00 4.17 0.00 2.12 2.04 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 94 E 8.16 4.00 0.00 1.95 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 0.00 2.30 2.33 0.00 95 D 7.98 4.79 0.00 2.73 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 96 Q 7.56 4.10 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 97 P 0.00 4.57 0.00 2.02 2.07 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 98 W 8.71 5.07 0.00 3.11 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 99 L 9.27 5.21 0.00 1.74 1.59 0.95 0.58 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 0.00 100 L 9.43 5.12 0.00 1.87 1.96 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.93 4.99 0.00 1.74 1.76 0.00 3.13 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 102 V 8.58 4.29 1.70 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 0.15 0.00 0.00 -0.05 0.00 0.00 103 N 9.60 4.20 0.00 2.78 2.83 0.00 0.00 7.00 7.22 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 0.00 104 G 7.76 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.79 3.77 0.00 1.71 1.91 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 106 S 7.91 4.39 0.00 3.95 3.95 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 0.00 107 G 7.54 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 0.00 0.00 0.00 0.00 108 R 8.31 4.23 0.00 1.71 1.37 0.00 3.11 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 109 K 8.04 5.06 0.00 1.55 1.61 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 110 F 9.65 5.39 0.00 3.26 3.26 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 0.00 111 K 9.34 4.94 0.00 1.72 1.43 0.00 1.40 0.00 0.00 1.16 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.27 7.81 112 G 8.97 3.09 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 0.00 113 I 8.13 4.86 1.88 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 1.07 0.66 0.91 0.00 0.00 114 K 8.75 4.14 0.00 1.70 1.66 0.00 1.61 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.10 7.81 115 K 8.79 4.11 0.00 1.79 1.53 0.00 1.41 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.24 1.23 7.81 116 G 8.81 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 0.00 117 G 8.13 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 0.00 118 V 9.29 3.75 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 0.80 0.00 0.00 0.88 0.00 0.00 119 T 8.36 3.95 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 1.20 0.00 0.00 120 E 8.28 4.68 0.00 2.09 1.75 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 2.39 2.26 0.00 121 N 8.61 4.98 0.00 2.81 2.83 0.00 0.00 5.85 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 0.00 122 T 7.38 4.64 4.11 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 0.00 0.00 1.15 0.00 0.00 123 S 7.98 4.52 0.00 4.02 3.88 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 0.00 0.00 0.00 124 Y 8.40 4.92 0.00 3.22 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 0.00 125 Y 8.89 5.16 0.00 3.10 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 0.00 126 I 9.25 4.60 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 1.04 0.00 0.00 127 F 9.22 5.30 0.00 2.88 3.17 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 0.00 128 T 9.22 4.87 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 1.37 0.00 0.00 129 Q 8.26 4.53 0.00 1.40 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 1.81 1.31 0.00 130 C 8.89 4.47 0.00 3.06 2.79 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 0.00 0.00 0.00 0.00 131 P 0.00 4.16 0.00 2.02 2.10 0.00 3.64 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 2.01 2.05 0.00 132 D 7.92 4.57 0.00 2.79 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 0.00 133 G 8.16 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 0.00 0.00 0.00 134 A 8.24 4.42 1.28 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 0.00 0.00 0.00 135 F 9.42 5.07 0.00 3.06 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 0.00 136 E 9.18 4.93 0.00 1.94 1.59 0.00 0.00 0.00 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 2.21 0.00 137 A 8.22 4.80 0.18 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 0.00 138 F 8.98 4.90 0.00 2.21 2.35 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 0.00 139 P 0.00 3.82 0.00 1.82 1.45 0.00 3.83 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 1.97 1.94 0.00 140 V 8.04 3.88 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 0.87 0.00 0.00 1.05 0.00 0.00 141 H 9.91 4.62 0.00 3.23 3.69 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.77 5.14 0.00 2.96 2.16 0.00 0.00 6.55 7.40 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 0.00 143 W 8.42 4.88 0.00 3.41 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 0.00 144 Y 9.22 5.28 0.00 3.21 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 0.00 145 N 9.19 5.36 0.00 2.71 2.83 0.00 0.00 6.67 8.50 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 0.00 146 F 9.22 5.35 0.00 2.17 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 0.00 147 T 8.93 5.16 4.40 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 0.00 0.00 0.00 1.36 0.00 0.00 148 P 0.00 4.38 0.00 2.10 1.90 0.00 3.77 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 149 L 8.87 3.94 0.00 1.82 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.91 4.12 1.26 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 0.00 0.00 0.00 151 R 7.97 4.27 0.00 1.83 1.91 0.00 3.19 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 152 H 8.01 4.61 0.00 3.30 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.43 4.57 0.00 1.73 1.81 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 154 T 8.74 4.45 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 1.22 0.00 0.00 155 L 7.61 3.60 0.00 1.70 1.90 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.12 4.62 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 1.26 0.00 0.00 157 A 8.86 4.01 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 0.00 158 E 8.01 4.73 0.00 1.99 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 2.29 2.26 0.00 159 E 8.57 4.54 0.00 2.00 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 2.21 2.30 0.00 160 A 8.20 4.06 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 0.00 161 E 8.03 3.98 0.00 2.07 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 0.00 2.34 2.46 0.00 162 E 8.19 4.07 0.00 2.29 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 2.52 2.47 0.00 163 E 8.58 4.09 0.00 2.16 2.26 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 2.36 2.38 0.00 164 W 8.97 4.15 0.00 3.59 3.30 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 0.00 165 E 8.18 4.17 0.00 2.27 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 2.56 2.58 0.00 166 R 7.60 4.23 0.00 1.91 2.06 0.00 3.07 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 167 R 7.41 4.05 0.00 1.42 1.93 0.00 3.38 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 168 N 7.25 4.24 0.00 1.67 2.20 0.00 0.00 6.74 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.