NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4463 8.2548 109.1211 45.3238 0.0000 175.0048 17 I 3.8137 7.4446 120.3539 63.5163 37.5117 175.3070 18 T 3.9928 7.9353 116.4259 62.8931 69.9539 174.4842 19 G 3.5671 7.6783 113.9090 45.3658 0.0000 170.4664 20 T 4.8154 7.6164 117.5546 61.8403 69.9820 174.5703 21 W 4.9076 9.1994 126.0044 54.9828 32.9641 174.0900 22 Y 5.5825 9.4798 120.9826 56.5488 41.1831 175.4307 23 N 5.4610 8.9630 120.7250 50.6201 40.3911 175.3337 24 Q 4.3729 7.8353 112.4976 57.4788 29.0245 176.2399 25 L 4.5241 9.0707 119.2999 54.6356 42.0383 177.1538 26 G 4.2728 8.0077 111.0076 45.7378 0.0000 175.1453 27 S 4.5623 7.6913 115.1727 59.3625 64.4548 173.9921 28 T 5.2661 9.4775 119.0206 61.9104 71.7651 172.9549 29 F 4.9692 9.6162 125.2567 55.6728 42.1435 174.2033 30 I 4.7884 8.4474 125.0919 59.5633 39.2249 174.8798 31 V 4.6309 8.6407 127.1184 61.1846 34.8018 174.1375 32 T 4.7472 9.1797 124.0176 61.6434 71.2935 172.9875 33 A 4.8471 8.6493 129.1724 49.9853 19.8325 177.0538 34 G 3.8002 9.2911 111.3380 45.5614 0.0000 172.8818 35 A 4.1183 8.6772 122.8887 54.6235 18.9614 178.4044 36 D 4.5490 7.9429 116.5617 53.5523 39.9603 176.1925 37 G 3.2731 7.6602 105.7644 45.5866 0.0000 170.7419 38 A 4.7425 7.6064 121.6181 51.3826 20.1869 176.9895 39 L 5.2781 8.9099 121.3257 53.1741 44.5606 175.9372 40 T 4.9237 9.4406 113.4259 59.5593 72.6632 174.5647 41 G 3.8631 7.1777 107.8732 46.4968 0.0000 171.3426 42 T 5.0891 7.7852 109.7660 59.9863 73.0081 172.9624 43 A 4.6153 8.8328 124.6231 50.4454 21.9646 175.7537 44 E 5.4920 8.6730 118.2432 56.5321 33.1826 173.8471 *49 N 4.5992 8.7458 114.8498 52.7487 38.7896 174.6891 50 A 3.8631 8.5301 122.8784 55.7352 18.3618 179.8466 51 E 3.8140 7.7904 112.8427 58.5308 29.8988 177.6481 52 S 4.8485 8.1704 114.7010 58.0742 64.4227 173.0497 53 R 5.0606 7.6080 120.8510 55.1097 31.3296 175.1034 54 Y 4.8619 9.2556 122.6653 56.1269 42.8861 174.5158 55 V 4.3963 8.4586 121.4359 62.4977 32.8919 175.0961 56 L 5.1132 8.8218 127.2510 54.3107 43.6206 175.1949 57 T 4.9943 8.7759 115.2363 61.1350 71.3644 173.0622 58 G 4.7699 8.8490 113.6101 46.2005 0.0000 171.7492 59 R 5.5746 8.8344 117.3769 54.8944 34.7618 174.2387 60 Y 5.2711 8.6817 118.7713 55.2182 41.3965 174.7306 61 D 4.3053 9.0690 120.7922 54.1947 40.5355 176.9330 62 S 4.2885 8.1242 120.9122 59.2174 64.0139 174.4220 63 A 4.6695 8.1091 123.6364 49.9662 18.3838 173.5443 64 P 4.7080 0.0000 0.0000 60.4864 32.8462 176.8129 65 A 4.2347 8.3079 122.1570 52.9737 18.7669 177.4866 66 T 4.4538 8.1497 114.6175 64.3577 69.5080 177.5056 67 D 4.4982 8.1222 121.7638 52.9120 38.3062 176.9831 68 G 3.9392 8.3988 105.3830 47.2558 0.0000 174.8795 69 S 4.2894 8.3819 115.5349 58.0106 63.3213 174.2529 70 G 3.9445 8.3515 110.1673 46.5015 0.0000 172.9278 71 T 4.7557 8.7257 116.7395 61.5578 70.0342 174.8193 72 A 4.7635 8.6358 129.3948 52.2821 20.0652 175.9300 73 L 4.9729 8.7104 120.6023 55.5964 44.6988 173.8065 74 G 4.4347 8.9767 104.1905 45.7555 0.0000 172.4194 75 W 5.8108 8.4003 116.9694 55.6265 32.3191 173.4902 76 T 5.3803 9.3132 116.5532 61.9371 72.3109 173.6103 77 V 4.6111 8.8004 123.7273 61.1380 34.5308 174.0979 78 A 4.4374 8.4268 129.9603 50.2794 19.8868 177.9413 79 W 4.2620 8.8258 124.2731 55.2870 27.9750 176.1734 80 K 5.2213 7.8178 118.3541 54.6340 35.1014 174.5725 81 N 5.0388 8.6988 123.4760 51.7408 39.7404 173.6075 82 N 4.2597 8.6175 113.7900 55.7085 38.6597 175.1619 83 Y 4.6445 8.6817 114.5632 58.0150 40.3563 175.9914 84 R 4.7258 7.7998 117.0436 54.6802 34.2780 173.8774 85 N 5.1233 8.5557 118.7335 52.8289 40.5272 173.6814 86 A 4.4370 9.3548 128.7409 51.5849 19.5975 176.1930 87 H 4.2097 8.7899 113.9060 56.3211 26.9721 174.0138 88 S 5.2135 7.6189 110.4570 57.6370 66.8041 173.4495 89 A 5.0510 8.9932 121.5064 50.7078 22.8390 175.1022 90 T 5.1327 9.0833 118.5113 61.8517 71.5756 173.4648 91 T 5.2117 8.7194 115.9637 59.7050 72.0188 172.8928 92 W 5.0092 9.0318 124.2086 54.9029 31.8703 174.5444 93 S 4.8217 8.7371 119.8496 56.6704 64.8105 173.4071 94 G 4.4668 8.2585 112.1375 46.6898 0.0000 171.6124 95 Q 5.1433 8.2749 117.2694 54.8448 32.8023 173.4160 96 Y 4.8647 8.9166 123.3382 57.0471 40.4569 174.0534 97 V 4.2987 8.8426 126.8643 61.1018 34.4122 175.6555 98 G 3.6315 8.0473 115.1763 44.8325 0.0000 170.6741 99 G 3.9089 8.6827 104.0761 44.1655 0.0000 173.0082 100 A 4.1322 8.4910 120.3165 53.8784 19.3766 178.0771 101 E 4.5363 7.8063 117.1939 54.3851 29.0968 175.9648 102 A 4.3203 7.7897 120.0716 53.3953 19.3108 178.6638 103 R 5.2368 9.6017 120.2894 54.8800 35.6786 174.1447 104 I 4.7272 8.7775 121.8780 59.8309 39.7979 174.3420 105 N 5.3535 8.9939 125.6042 51.9927 40.5554 174.5273 106 T 5.2656 9.0729 112.8307 60.2172 73.1848 172.5605 107 Q 5.1544 9.0431 120.8190 53.8273 32.3772 174.8641 108 W 5.3047 8.4159 118.7593 54.5859 32.1701 173.8624 109 L 5.2188 8.7919 120.6454 52.9004 44.5945 175.1384 110 L 5.1217 9.3272 126.2202 53.6700 44.5609 174.9473 111 T 5.1691 8.7365 122.9797 61.9815 71.3156 173.5283 112 S 5.2034 8.8261 121.9271 56.3945 65.4987 174.3750 113 G 3.8729 8.8106 111.7309 46.6126 0.0000 172.9746 114 T 4.7880 8.3045 113.9305 59.5086 72.3200 173.1007 115 T 4.2191 8.0048 111.2659 60.7682 69.9894 175.4101 116 E 3.9372 8.7903 121.0951 59.4969 29.7212 179.6102 117 A 4.0780 8.1521 120.5489 54.8075 18.8637 177.6754 118 N 4.6782 7.9651 110.9829 52.9183 39.0826 176.7205 119 A 4.1094 8.1740 124.1799 54.2603 18.5492 180.6142 120 W 4.3599 8.3029 112.0292 58.5513 28.1267 176.5887 121 K 4.2724 6.4749 118.1653 56.2079 32.2653 177.2767 122 S 4.2690 8.1639 116.2136 60.6338 63.7396 173.2568 123 T 5.1069 7.6195 117.3600 61.8021 70.8519 173.5389 124 L 4.7955 9.2596 127.1698 53.4557 44.1056 176.0691 125 V 4.3911 7.6816 119.8871 60.3780 34.6330 175.2577 126 G 3.2010 6.2903 107.1894 45.9176 0.0000 171.4851 127 H 5.4513 8.5041 113.9142 54.0967 32.0990 172.4655 128 D 5.0634 9.2084 117.7995 53.0980 45.7904 174.5541 129 T 5.2120 8.9452 117.4314 61.9004 72.0909 172.9270 130 F 5.4616 9.4337 125.1687 55.9804 41.9686 174.8071 131 T 5.4093 9.3417 112.2983 60.1234 72.0400 174.8712 132 K 3.9595 8.8820 120.4947 57.3864 32.7973 177.7121 133 V 4.0794 7.7171 116.4951 61.3816 32.0709 175.2691 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 16 G 8.25 4.45 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 0.00 17 I 7.44 3.81 1.42 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.10 0.58 0.00 0.00 18 T 7.94 3.99 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 1.15 0.00 0.00 19 G 7.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.62 4.82 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 0.67 0.00 0.00 21 W 9.20 4.91 0.00 3.08 3.16 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 22 Y 9.48 5.58 0.00 3.00 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 23 N 8.96 5.46 0.00 2.24 2.08 0.00 0.00 6.63 7.39 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 24 Q 7.84 4.37 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.25 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 25 L 9.07 4.52 0.00 1.94 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.01 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 0.00 0.00 0.00 0.00 27 S 7.69 4.56 0.00 4.30 4.16 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 28 T 9.48 5.27 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 1.14 0.00 0.00 29 F 9.62 4.97 0.00 2.76 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 30 I 8.45 4.79 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.93 0.84 0.00 0.00 31 V 8.64 4.63 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 0.79 0.00 0.00 0.35 0.00 0.00 32 T 9.18 4.75 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 1.17 0.00 0.00 33 A 8.65 4.85 0.62 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 0.00 0.00 34 G 9.29 3.80 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 0.00 0.00 0.00 35 A 8.68 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.94 4.55 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.66 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.61 4.74 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 39 L 8.91 5.28 0.00 1.78 1.57 0.69 0.99 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 40 T 9.44 4.92 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 1.20 0.00 0.00 41 G 7.18 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 42 T 7.79 5.09 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 1.15 0.00 0.00 43 A 8.83 4.62 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.67 5.49 0.00 2.02 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 0.00 2.13 2.07 0.00 *49 N 8.75 4.60 0.00 2.83 2.98 0.00 0.00 5.83 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 50 A 8.53 3.86 1.11 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 0.00 0.00 0.00 51 E 7.79 3.81 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.63 0.00 52 S 8.17 4.85 0.00 3.77 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 53 R 7.61 5.06 0.00 1.78 1.89 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 54 Y 9.26 4.86 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 55 V 8.46 4.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 56 L 8.82 5.11 0.00 1.84 1.58 0.58 -0.14 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 57 T 8.78 4.99 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 58 G 8.85 4.77 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 59 R 8.83 5.57 0.00 1.75 1.78 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.68 5.27 0.00 2.94 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 61 D 9.07 4.31 0.00 2.71 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 62 S 8.12 4.29 0.00 3.88 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.11 4.67 1.21 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 64 P 0.00 4.71 0.00 2.26 2.15 0.00 3.44 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 65 A 8.31 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.15 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 1.23 0.00 0.00 67 D 8.12 4.50 0.00 2.77 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 68 G 8.40 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 69 S 8.38 4.29 0.00 3.97 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 70 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 71 T 8.73 4.76 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 72 A 8.64 4.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.71 4.97 0.00 1.97 1.93 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.98 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.40 5.81 0.00 3.48 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 76 T 9.31 5.38 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 1.25 0.00 0.00 77 V 8.80 4.61 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 -0.68 0.00 0.00 1.00 0.00 0.00 78 A 8.43 4.44 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.83 4.26 0.00 3.33 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 80 K 7.82 5.22 0.00 1.87 1.71 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 81 N 8.70 5.04 0.00 2.69 2.55 0.00 0.00 7.07 7.34 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 82 N 8.62 4.26 0.00 1.51 2.15 0.00 0.00 6.61 7.46 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 83 Y 8.68 4.64 0.00 2.98 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 84 R 7.80 4.73 0.00 2.15 1.94 0.00 3.32 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 85 N 8.56 5.12 0.00 2.62 2.61 0.00 0.00 6.93 7.96 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 86 A 9.35 4.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.79 4.21 0.00 3.37 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.62 5.21 0.00 4.12 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 89 A 8.99 5.05 1.21 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 90 T 9.08 5.13 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 -0.08 0.00 0.00 91 T 8.72 5.21 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 92 W 9.03 5.01 0.00 1.91 2.33 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 93 S 8.74 4.82 0.00 3.80 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 94 G 8.26 4.47 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 95 Q 8.27 5.14 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 96 Y 8.92 4.86 0.00 2.98 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 97 V 8.84 4.30 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 0.83 0.00 0.00 0.88 0.00 0.00 98 G 8.05 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 99 G 8.68 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 0.00 100 A 8.49 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.81 4.54 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 102 A 7.79 4.32 1.46 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 0.00 0.00 103 R 9.60 5.24 0.00 1.73 1.87 0.00 3.13 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 104 I 8.78 4.73 1.63 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.84 0.00 0.00 105 N 8.99 5.35 0.00 2.68 2.77 0.00 0.00 6.05 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 9.07 5.27 4.47 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 1.19 0.00 0.00 107 Q 9.04 5.15 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 108 W 8.42 5.30 0.00 2.72 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 0.00 109 L 8.79 5.22 0.00 1.57 1.58 0.90 0.46 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 0.00 110 L 9.33 5.12 0.00 1.74 1.74 1.06 0.38 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 0.00 111 T 8.74 5.17 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 1.22 0.00 0.00 112 S 8.83 5.20 0.00 3.68 3.76 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 0.00 113 G 8.81 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 0.00 0.00 0.00 114 T 8.30 4.79 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 1.20 0.00 0.00 115 T 8.00 4.22 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 1.21 0.00 0.00 116 E 8.79 3.94 0.00 2.12 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 0.00 2.42 2.39 0.00 117 A 8.15 4.08 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 0.00 118 N 7.97 4.68 0.00 2.61 2.60 0.00 0.00 6.87 8.32 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 0.00 119 A 8.17 4.11 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 0.00 120 W 8.30 4.36 0.00 3.57 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 6.47 4.27 0.00 1.33 0.74 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.71 7.81 122 S 8.16 4.27 0.00 4.12 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 0.00 123 T 7.62 5.11 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 1.25 0.00 0.00 124 L 9.26 4.80 0.00 1.78 1.74 1.01 0.63 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 0.00 125 V 7.68 4.39 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 0.53 0.00 0.00 0.67 0.00 0.00 126 G 6.29 3.20 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 0.00 0.00 0.00 0.00 127 H 8.50 5.45 0.00 3.27 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.21 5.06 0.00 3.10 2.50 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 0.00 129 T 8.95 5.21 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 1.34 0.00 0.00 130 F 9.43 5.46 0.00 2.86 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 0.00 131 T 9.34 5.41 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 0.00 132 K 8.88 3.96 0.00 1.62 1.69 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.57 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.32 7.81 133 V 7.72 4.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.