NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 H 4.7492 8.4449 117.3795 54.7913 30.3677 173.8017 9 M 4.5160 8.0580 116.5425 54.8403 33.3256 174.2439 10 G 4.0318 8.6286 109.5402 45.8720 0.0000 176.4054 11 E 4.1975 9.0576 119.6837 55.2115 30.7293 174.9172 12 F 4.9838 7.3043 114.4430 55.6893 40.5746 174.1904 13 S 4.3880 8.5631 117.9179 58.4322 63.4257 175.1951 14 V 3.8755 8.4206 123.1310 65.3476 31.7305 176.4458 15 C 5.2777 7.7871 115.5976 54.9412 42.5145 173.9772 16 D 4.8798 8.7279 123.1856 54.3575 41.9633 175.3481 17 S 5.1194 8.3827 115.2108 57.0711 67.1002 173.2653 18 V 4.4913 8.4481 112.0501 59.8007 35.8350 174.7476 19 S 4.9116 8.6095 120.4753 56.7714 64.8733 173.8434 20 V 4.4579 8.1251 116.9277 59.2987 36.3036 174.3153 21 W 5.2139 8.8035 122.0230 55.4498 30.7085 175.7699 22 V 4.4879 9.3157 125.6996 61.2429 32.8850 176.1650 23 G 3.9612 9.0144 113.9660 45.0090 0.0000 172.0249 24 D 4.9014 8.0724 117.6558 52.4906 39.8081 175.6185 25 K 4.2430 8.1816 121.4327 57.1699 32.8985 176.0491 26 T 4.8119 8.6729 115.6633 62.1001 71.5950 173.8930 27 T 5.2437 7.8727 109.6963 59.8457 71.7828 173.3866 28 A 4.6218 8.8378 123.3515 51.2018 23.5034 175.5798 29 T 4.9215 8.3773 117.0142 61.6899 70.4689 174.5467 30 D 5.1453 8.6584 127.6157 52.5114 40.4722 177.1717 31 I 3.7391 8.3542 118.9137 63.8984 37.7696 176.6490 32 K 4.1710 8.1558 117.1326 56.4460 32.0874 177.5127 33 G 3.9218 8.2612 107.6384 45.1774 0.0000 173.3252 34 K 4.4159 8.1345 121.3129 54.4113 33.4809 175.1814 35 E 4.7164 8.5891 127.2049 56.3596 30.3531 176.0204 36 V 4.6145 9.0826 125.3986 60.5311 35.8737 173.7991 37 T 4.9021 8.7516 119.0428 62.3097 70.2868 173.8580 38 V 4.5837 8.8334 127.7588 61.5867 32.4333 175.6206 39 L 4.4193 8.0697 127.9368 54.4352 42.3304 176.9573 40 A 4.2409 8.5416 122.1406 53.2001 20.1334 176.8921 41 E 4.9913 7.9600 114.0562 54.4572 32.6565 176.2518 42 V 3.9495 7.8715 123.1908 60.5068 33.8941 176.0340 43 N 4.8897 8.3166 117.7538 51.7609 40.2065 173.5038 44 I 4.4554 8.0532 121.7225 60.4637 41.7034 174.7590 45 N 4.1464 9.6733 125.2381 54.8329 35.6360 173.5916 46 N 4.2914 8.2631 109.2032 54.1015 38.5036 173.0699 47 S 4.6637 7.7892 109.6942 56.1230 66.2134 172.9424 48 V 4.3398 8.3581 121.4767 61.1357 32.4452 174.8719 49 F 5.1163 8.1612 121.9394 55.0376 41.0037 174.0172 50 R 4.6898 8.9299 122.7422 55.8806 31.2167 175.8166 51 Q 4.1925 8.8579 125.3642 55.9554 28.8710 174.9767 52 Y 4.8917 8.3492 121.7281 55.9953 40.9582 175.4050 53 F 5.2351 9.1159 121.5309 55.7229 42.7761 174.0745 54 F 4.6082 9.2597 126.0236 57.5012 39.7022 174.3372 55 E 4.9392 8.5767 126.1315 54.8290 32.8458 175.5551 56 T 5.3885 8.3743 118.5738 60.9360 72.1105 173.4352 57 K 4.6448 8.4243 124.4974 54.3290 36.4456 175.8516 58 C 4.8448 8.0567 118.2645 56.9119 40.4343 174.6304 59 R 3.9091 8.5519 121.6966 58.4845 30.2058 176.3097 60 A 4.5954 7.3477 117.3138 51.1426 22.0876 175.9589 61 S 4.3864 8.5620 114.1221 60.0053 63.7349 173.2089 62 N 4.9376 7.6896 117.1625 50.3256 38.9841 172.1022 63 P 4.4031 0.0000 0.0000 64.4159 32.1755 177.0978 64 V 4.5095 7.4321 115.9294 60.8512 34.8130 174.9180 65 E 3.9598 9.1569 125.8953 59.8969 29.2905 178.8093 66 S 4.3906 7.9584 108.8175 58.8749 64.3506 173.7007 67 G 4.6888 7.7283 106.5059 45.6691 0.0000 175.0992 68 C 4.7238 8.6370 122.9971 56.0329 40.9702 173.1975 69 R 4.1955 8.4930 121.2217 57.3628 30.1596 177.5682 70 G 3.9620 8.8794 108.9215 46.0110 0.0000 173.3666 71 I 4.2795 7.3777 119.2684 59.8456 38.7471 176.1725 72 D 4.7406 8.4870 123.6163 53.1219 39.2503 176.8173 73 S 4.5885 8.4116 117.4323 59.7888 63.2280 175.9040 74 K 4.5131 8.1489 119.1576 56.7773 32.3783 176.1779 75 H 4.6012 7.8764 114.5502 55.2868 33.1804 173.1600 76 W 5.3096 8.9200 116.8830 54.8475 32.3738 175.0038 77 N 5.1653 9.3009 121.4451 52.2526 40.1181 174.4025 78 S 5.7314 8.8417 116.2611 56.5293 67.0835 172.1906 79 Y 5.1909 8.0972 117.7016 56.2216 41.2245 173.8903 80 C 5.1856 8.7035 118.9144 56.2463 42.8081 173.1116 81 T 4.8989 8.9554 116.9864 60.6220 71.1979 172.4848 82 T 4.8016 8.4868 122.9007 63.3250 69.5875 174.4503 83 T 4.4823 8.8934 123.5010 62.7810 70.7060 173.7560 84 H 5.2172 8.5514 120.8303 54.5568 32.3913 172.4351 85 T 4.4371 8.5358 113.3229 61.0392 71.6184 171.8657 86 F 5.5066 8.6344 122.0430 55.6285 41.1813 175.4097 87 V 4.8015 8.6983 123.1797 60.8162 34.7519 174.2887 88 K 4.5027 9.0750 128.7644 56.2550 32.7937 175.5763 89 A 4.9260 8.9927 128.3252 49.7688 23.4157 174.2688 90 L 3.8458 8.0557 121.9207 54.8108 43.0914 176.0866 91 T 4.8530 8.7137 115.3227 60.5301 73.1052 172.5269 92 T 4.8958 9.0579 118.7864 61.6960 71.7007 173.3238 93 D 4.5987 8.2150 124.9220 55.1843 40.9352 175.7696 94 E 3.7958 7.3394 115.6488 56.0204 27.2854 173.9296 95 K 4.5239 7.4893 130.2552 56.2978 29.3122 175.9608 96 Q 4.5790 7.4675 117.5886 53.1541 31.9266 174.2453 97 A 4.8769 8.4473 120.8449 50.4358 20.8518 175.3095 98 A 4.7132 8.8761 122.7358 50.7966 23.6807 175.4352 99 W 4.8901 9.0071 119.4073 56.3091 29.0913 176.1459 100 R 4.7680 8.5107 123.7975 53.8643 33.5591 175.5616 101 F 5.1236 8.8381 121.1668 57.6457 40.1857 174.4654 102 I 4.8356 8.9183 118.1666 58.8858 40.6026 174.9576 103 R 4.3906 8.3368 124.9549 56.3681 30.3730 175.6134 104 I 4.5532 8.3158 127.4273 59.1957 40.8070 174.8995 105 D 4.6438 8.6316 126.3557 54.7638 41.1388 176.8392 106 T 4.5457 9.1511 112.3787 61.7755 71.2811 173.2832 107 A 4.5368 7.6055 121.8813 51.0073 23.3517 175.5295 108 C 5.2366 8.6483 118.4435 55.2539 42.9898 173.4074 109 V 4.4574 8.5271 119.6081 59.7699 34.3236 174.0053 110 C 5.1024 8.4756 122.3439 55.0862 40.4121 172.8853 111 V 4.4175 8.2620 125.7426 60.9610 33.9765 174.1693 112 L 5.5197 8.2687 125.0269 53.1789 45.2908 175.4820 113 S 4.8901 9.0704 115.1842 57.1829 67.3352 172.2575 114 R 4.6290 8.4752 120.4764 54.5915 31.1586 175.7982 115 K 4.2601 8.1640 126.0023 56.4199 32.3559 177.1644 116 A 4.2488 8.7007 126.6735 52.6820 19.2332 177.2988 117 T 4.0881 7.5786 107.2666 61.1823 69.7063 174.9866 118 R 4.1064 8.4668 123.6761 56.3115 30.2723 176.1894 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 *8 H 8.44 4.75 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.06 4.52 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 10 G 8.63 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 0.00 0.00 0.00 11 E 9.06 4.20 0.00 1.93 1.81 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 2.14 2.20 0.00 12 F 7.30 4.98 0.00 3.00 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 13 S 8.56 4.39 0.00 3.94 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 14 V 8.42 3.88 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 1.06 0.00 0.00 0.98 0.00 0.00 15 C 7.79 5.28 0.00 2.82 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 16 D 8.73 4.88 0.00 2.66 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 17 S 8.38 5.12 0.00 3.81 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 18 V 8.45 4.49 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 0.68 0.00 0.00 0.93 0.00 0.00 19 S 8.61 4.91 0.00 3.52 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 20 V 8.13 4.46 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 0.67 0.00 0.00 0.85 0.00 0.00 21 W 8.80 5.21 0.00 3.21 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 22 V 9.32 4.49 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 1.09 0.00 0.00 1.12 0.00 0.00 23 G 9.01 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 24 D 8.07 4.90 0.00 2.78 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 25 K 8.18 4.24 0.00 1.90 1.95 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 T 8.67 4.81 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 1.21 0.00 0.00 27 T 7.87 5.24 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 1.21 0.00 0.00 28 A 8.84 4.62 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 29 T 8.38 4.92 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 1.22 0.00 0.00 30 D 8.66 5.15 0.00 3.14 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 31 I 8.35 3.74 1.61 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.14 0.90 0.00 0.00 32 K 8.16 4.17 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 33 G 8.26 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 34 K 8.13 4.42 0.00 1.82 1.82 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.37 7.81 35 E 8.59 4.72 0.00 2.00 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 2.29 2.37 0.00 36 V 9.08 4.61 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 0.75 0.00 0.00 0.97 0.00 0.00 37 T 8.75 4.90 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 38 V 8.83 4.58 2.13 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 0.93 0.00 0.00 0.91 0.00 0.00 39 L 8.07 4.42 0.00 1.41 1.47 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.54 4.24 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 41 E 7.96 4.99 0.00 1.71 1.73 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 2.11 2.14 0.00 42 V 7.87 3.95 1.10 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 -0.17 0.00 0.00 0.72 0.00 0.00 43 N 8.32 4.89 0.00 2.62 2.74 0.00 0.00 6.61 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 44 I 8.05 4.46 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 1.34 1.43 1.05 0.00 0.00 45 N 9.67 4.15 0.00 2.91 2.85 0.00 0.00 7.05 8.00 0.00 0.00 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 N 8.26 4.29 0.00 2.83 2.89 0.00 0.00 7.03 7.63 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 47 S 7.79 4.66 0.00 4.00 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 48 V 8.36 4.34 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 0.87 0.00 0.00 0.92 0.00 0.00 49 F 8.16 5.12 0.00 2.95 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 50 R 8.93 4.69 0.00 1.87 1.98 0.00 3.29 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.71 0.00 51 Q 8.86 4.19 0.00 1.72 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.37 0.00 0.00 0.00 0.00 0.00 2.30 2.12 0.00 52 Y 8.35 4.89 0.00 2.81 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 53 F 9.12 5.24 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 54 F 9.26 4.61 0.00 2.47 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 55 E 8.58 4.94 0.00 1.81 1.68 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 2.19 2.29 0.00 56 T 8.37 5.39 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 1.17 0.00 0.00 57 K 8.42 4.64 0.00 1.61 1.64 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.33 7.81 58 C 8.06 4.84 0.00 2.86 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 59 R 8.55 3.91 0.00 1.91 1.93 0.00 3.28 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 60 A 7.35 4.60 1.20 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 61 S 8.56 4.39 0.00 4.06 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 62 N 7.69 4.94 0.00 2.67 2.88 0.00 0.00 6.94 8.02 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 63 P 0.00 4.40 0.00 2.03 2.09 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 64 V 7.43 4.51 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 0.99 0.00 0.00 0.91 0.00 0.00 65 E 9.16 3.96 0.00 1.98 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 2.33 2.40 0.00 66 S 7.96 4.39 0.00 4.02 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 67 G 7.73 4.69 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 68 C 8.64 4.72 0.00 2.97 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 69 R 8.49 4.20 0.00 1.91 1.98 0.00 3.13 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 70 G 8.88 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 71 I 7.38 4.28 1.92 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 1.45 0.89 0.98 0.00 0.00 72 D 8.49 4.74 0.00 2.95 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 73 S 8.41 4.59 0.00 4.07 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 0.00 74 K 8.15 4.51 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.47 7.81 75 H 7.88 4.60 0.00 3.22 2.56 0.00 5.75 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.92 5.31 0.00 3.10 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 77 N 9.30 5.17 0.00 2.93 2.86 0.00 0.00 6.40 7.51 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 78 S 8.84 5.73 0.00 3.83 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 79 Y 8.10 5.19 0.00 2.95 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 80 C 8.70 5.19 0.00 3.07 3.05 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 0.00 81 T 8.96 4.90 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 1.19 0.00 0.00 82 T 8.49 4.80 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 1.13 0.00 0.00 83 T 8.89 4.48 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 1.16 0.00 0.00 84 H 8.55 5.22 0.00 2.74 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.54 4.44 4.19 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 1.21 0.00 0.00 86 F 8.63 5.51 0.00 2.83 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 87 V 8.70 4.80 2.29 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 1.38 0.00 0.00 1.13 0.00 0.00 88 K 9.07 4.50 0.00 1.39 1.80 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.42 1.66 7.81 89 A 8.99 4.93 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 90 L 8.06 3.85 0.00 0.73 1.08 0.32 0.54 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 91 T 8.71 4.85 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 1.18 0.00 0.00 92 T 9.06 4.90 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 1.21 0.00 0.00 93 D 8.21 4.60 0.00 2.70 2.49 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 94 E 7.34 3.80 0.00 2.03 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 2.25 2.31 0.00 95 K 7.49 4.52 0.00 2.00 2.08 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 1.19 7.81 96 Q 7.47 4.58 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 97 A 8.45 4.88 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 98 A 8.88 4.71 1.24 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 99 W 9.01 4.89 0.00 3.07 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 0.00 100 R 8.51 4.77 0.00 1.81 1.85 0.00 3.13 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 101 F 8.84 5.12 0.00 3.01 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 0.00 102 I 8.92 4.84 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.99 0.00 0.00 103 R 8.34 4.39 0.00 2.02 1.85 0.00 2.99 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 104 I 8.32 4.55 1.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.91 0.00 0.00 105 D 8.63 4.64 0.00 2.52 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 0.00 106 T 9.15 4.55 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 1.23 0.00 0.00 107 A 7.61 4.54 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 0.00 108 C 8.65 5.24 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 0.00 109 V 8.53 4.46 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 0.57 0.00 0.00 0.87 0.00 0.00 110 C 8.48 5.10 0.00 2.90 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 0.00 111 V 8.26 4.42 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 0.00 0.00 0.75 0.00 0.00 0.62 0.00 0.00 112 L 8.27 5.52 0.00 1.35 1.48 0.78 -0.04 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 0.00 113 S 9.07 4.89 0.00 3.96 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 0.00 114 R 8.48 4.63 0.00 1.83 1.82 0.00 3.04 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 0.00 115 K 8.16 4.26 0.00 1.73 1.65 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.41 7.81 116 A 8.70 4.25 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 0.00 117 T 7.58 4.09 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 1.19 0.00 0.00 118 R 8.47 4.11 0.00 1.79 1.84 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.