NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3477 8.2649 123.5896 51.8717 19.9156 176.5040 5 L 4.4570 7.5343 121.1805 52.6480 44.0082 175.6948 6 A 4.3355 9.1904 124.6918 52.2893 20.5898 176.0697 7 D 5.4484 8.6461 120.0860 53.2416 43.1622 176.4669 8 V 4.5615 8.4551 119.9716 59.9541 35.1189 174.4274 9 C 4.6316 8.8009 121.7230 56.6629 35.2456 174.4119 10 R 3.7591 8.6615 125.2654 59.7747 29.6829 178.5358 11 T 4.0403 7.8164 105.9002 63.3951 68.9127 175.1131 12 K 4.2339 7.5667 120.5123 56.8125 32.7511 177.1159 13 L 3.8109 7.1794 118.6078 53.2767 42.3645 175.6423 14 P 4.2140 0.0000 0.0000 62.9573 33.0905 177.5887 15 S 4.0886 8.6786 116.0519 62.1482 62.6672 177.0638 16 Q 4.1833 8.0440 120.6731 58.4976 28.5177 178.3711 17 A 4.0615 7.7270 121.4624 55.2609 18.4559 179.5684 18 Q 3.9150 7.9398 116.4051 58.9640 28.7602 178.4144 19 D 4.4036 8.4251 120.4061 57.9109 40.8018 179.1849 20 T 3.9847 7.9756 115.8650 66.7133 68.4794 176.5880 21 L 3.9457 8.0553 120.6123 57.8552 41.7513 179.5611 22 A 4.0000 8.1129 120.6074 55.0811 18.2380 179.7454 23 L 3.9032 8.0925 117.5745 57.8075 41.6898 179.6151 24 I 3.9781 8.2776 121.1462 63.8836 36.8157 178.3660 25 A 4.0147 7.7885 120.0963 54.6528 18.2788 178.9295 26 K 4.1050 7.6652 114.0334 55.6570 32.8287 176.1337 27 N 4.1307 8.8944 117.0826 54.5001 38.2422 175.1968 28 G 2.8804 7.7175 106.5902 43.9381 0.0000 171.9796 29 P 4.1214 0.0000 0.0000 63.0378 32.2001 175.4131 30 Y 4.7740 8.1689 119.2343 56.0733 39.4684 175.1569 31 P 4.2307 0.0000 0.0000 64.7280 32.1595 176.1202 32 Y 4.8737 7.9937 116.2784 55.7009 40.6439 176.3785 33 N 4.4097 9.0453 120.6227 56.6191 38.9125 176.3310 34 R 4.2694 8.0229 114.5303 56.4260 30.5866 175.7902 35 D 4.2858 7.7303 119.9118 55.6778 40.9763 176.8186 36 G 3.3048 7.7924 113.2167 44.4528 0.0000 173.7267 37 V 3.7814 7.1150 120.0619 62.2286 32.7769 175.5154 38 V 3.8831 8.4164 126.0700 63.6741 32.0522 174.6522 39 F 4.7939 8.7746 129.9705 56.6979 40.1852 175.3310 40 E 3.9244 8.2562 124.9178 56.0837 30.2160 175.5870 41 N 3.4788 5.7700 116.5191 54.1510 37.2082 176.0044 42 R 3.8230 7.6234 116.6286 58.6979 29.5985 177.7676 43 E 4.3144 8.1643 115.5455 55.6072 29.7518 176.3351 44 S 3.9152 7.8251 113.8505 59.5066 61.1270 174.1743 45 R 4.0827 7.5485 121.1327 58.4243 30.1725 177.4754 46 L 4.1391 7.5019 116.5608 51.8789 43.1156 174.5028 47 P 4.1865 0.0000 0.0000 63.0401 31.6489 176.6711 48 K 4.0996 8.5091 122.4792 56.4331 32.4095 176.3852 49 K 4.3690 8.1388 121.9404 54.4360 35.9117 175.5074 50 G 3.9220 8.1149 108.8224 44.6827 0.0000 172.7023 51 N 4.2989 8.3565 116.8701 54.5099 38.8334 176.0877 52 G 3.8934 8.8368 109.5598 45.9050 0.0000 173.8132 53 Y 3.8607 7.7993 122.0796 59.6213 39.1191 175.0907 54 Y 5.8619 7.6840 115.8744 55.9533 41.1874 174.7675 55 H 5.5225 8.8090 115.4152 54.0719 33.7365 172.1082 56 E 5.3184 8.8521 118.7098 54.7554 32.6554 174.8743 57 F 5.0963 9.2872 119.6949 55.8817 43.4965 174.3273 58 T 4.3857 9.5088 120.6966 63.7133 69.0661 174.1188 59 V 4.5264 8.3993 126.8375 60.2641 32.4957 175.9333 60 V 3.8256 8.7451 128.2388 63.4463 32.0067 175.0449 61 T 4.5950 8.3092 122.7032 60.8298 70.3789 172.3066 62 P 4.1753 0.0000 0.0000 64.2468 31.9529 174.9140 63 G 3.4724 8.4232 111.5932 45.6653 0.0000 172.0450 *66 D 4.3944 7.7063 121.0053 54.0175 42.6047 175.4411 67 R 3.7165 8.4469 123.8384 57.4107 30.2689 177.3895 68 G 3.8149 8.4527 103.7400 45.0175 0.0000 172.3244 69 T 4.2886 8.0003 106.0798 61.4921 70.2758 174.4632 70 R 4.4685 7.6650 122.4655 55.8412 31.9912 175.5685 71 R 5.1794 8.6524 121.0797 54.8143 35.2986 173.9447 72 V 5.1358 9.0826 122.0584 61.4042 34.2694 174.4394 73 V 5.2077 8.9917 127.5162 61.4999 33.9463 174.3616 74 T 5.2283 9.4332 118.2623 60.3084 71.6455 173.9985 75 G 4.3302 9.0283 111.1697 44.3882 0.0000 174.9580 76 G 3.0884 6.1314 108.4045 47.6081 0.0000 174.3249 77 Y 4.4261 8.1894 115.8875 57.7487 38.1333 176.4086 78 G 3.9939 8.1440 107.5072 45.0577 0.0000 174.0992 79 E 4.1618 8.1565 119.0522 56.5605 30.8755 175.9229 80 Q 5.0348 8.2232 120.7794 54.4251 33.0344 173.7731 81 Y 5.3651 9.5605 120.7413 56.0190 42.4214 174.0526 82 W 5.4688 9.6182 133.2202 56.0730 33.2889 174.9794 83 S 4.2801 8.6095 121.1906 55.0250 64.3252 172.5122 84 P 3.6764 0.0000 0.0000 63.6341 31.9913 175.7938 85 D 4.4942 6.6535 119.4202 54.2628 39.8415 174.4995 86 H 2.6717 8.6800 114.0135 58.3772 28.7638 174.2141 87 Y 3.0182 7.2192 112.3693 57.9213 36.3849 170.9541 88 A 4.1183 7.6448 124.5657 54.6444 18.4683 178.5515 89 T 4.6694 7.9396 104.2421 59.8864 71.9561 172.6809 90 F 5.2886 8.5129 120.4379 55.9943 43.0497 174.1642 91 Q 4.9902 9.2433 120.0376 54.0304 32.9479 174.2795 92 E 4.4837 9.2599 124.6119 55.9594 30.9778 175.6204 93 I 4.4084 8.4675 129.2050 61.0875 38.0247 175.3493 94 D 4.6881 9.3900 129.2507 52.7134 41.3736 175.1329 95 P 4.4832 0.0000 0.0000 64.2685 31.6325 177.2553 96 R 4.2943 8.2229 117.9270 57.2612 30.9114 174.0263 97 C 4.5016 7.8299 117.9418 55.4904 42.9304 173.6813 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 4 A 8.26 4.35 1.32 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 0.00 0.00 5 L 7.53 4.46 0.00 1.86 1.74 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.19 4.34 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 7 D 8.65 5.45 0.00 2.61 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 8 V 8.46 4.56 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 0.91 0.00 0.00 0.89 0.00 0.00 9 C 8.80 4.63 0.00 2.98 3.06 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 0.00 0.00 0.00 10 R 8.66 3.76 0.00 1.91 2.03 0.00 3.31 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 11 T 7.82 4.04 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 12 K 7.57 4.23 0.00 1.86 1.84 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.52 7.81 13 L 7.18 3.81 0.00 1.48 1.06 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.21 0.00 1.98 1.95 0.00 2.68 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 15 S 8.68 4.09 0.00 4.02 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 0.00 16 Q 8.04 4.18 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 17 A 7.73 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.94 3.92 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 19 D 8.43 4.40 0.00 2.91 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 20 T 7.98 3.98 4.49 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 1.42 0.00 0.00 21 L 8.06 3.95 0.00 1.85 1.70 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.11 4.00 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 23 L 8.09 3.90 0.00 1.97 1.77 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.28 3.98 1.87 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 1.68 0.69 0.00 0.00 25 A 7.79 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 26 K 7.67 4.10 0.00 1.83 1.78 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.48 7.81 27 N 8.89 4.13 0.00 2.83 2.83 0.00 0.00 7.15 7.55 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 29 P 0.00 4.12 0.00 1.98 1.96 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 30 Y 8.17 4.77 0.00 3.22 3.24 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 31 P 0.00 4.23 0.00 1.50 2.03 0.00 4.21 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 32 Y 7.99 4.87 0.00 3.43 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 33 N 9.05 4.41 0.00 2.78 2.94 0.00 0.00 7.01 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 34 R 8.02 4.27 0.00 1.89 1.95 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 35 D 7.73 4.29 0.00 2.89 2.32 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 36 G 7.79 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 0.00 0.00 0.00 37 V 7.12 3.78 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 0.95 0.00 0.00 0.92 0.00 0.00 38 V 8.42 3.88 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 0.77 0.00 0.00 0.85 0.00 0.00 39 F 8.77 4.79 0.00 2.82 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 40 E 8.26 3.92 0.00 1.70 1.76 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 2.17 2.14 0.00 41 N 5.77 3.48 0.00 2.51 2.60 0.00 0.00 7.21 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 42 R 7.62 3.82 0.00 1.74 1.91 0.00 3.34 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 43 E 8.16 4.31 0.00 2.06 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 2.37 2.31 0.00 44 S 7.83 3.92 0.00 3.96 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 45 R 7.55 4.08 0.00 2.21 2.23 0.00 3.45 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 46 L 7.50 4.14 0.00 1.02 0.80 -0.66 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.19 0.00 2.11 2.04 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 48 K 8.51 4.10 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 49 K 8.14 4.37 0.00 1.13 0.84 0.00 0.84 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.12 0.21 7.81 50 G 8.11 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 51 N 8.36 4.30 0.00 2.70 2.75 0.00 0.00 6.92 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 52 G 8.84 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 53 Y 7.80 3.86 0.00 3.04 2.48 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 54 Y 7.68 5.86 0.00 3.39 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 55 H 8.81 5.52 0.00 3.18 2.94 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.85 5.32 0.00 2.15 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 57 F 9.29 5.10 0.00 2.92 2.92 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 58 T 9.51 4.39 4.44 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 0.90 0.00 0.00 59 V 8.40 4.53 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 1.30 0.00 0.00 1.26 0.00 0.00 60 V 8.75 3.83 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 0.97 0.00 0.00 1.15 0.00 0.00 61 T 8.31 4.60 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 62 P 0.00 4.18 0.00 2.06 2.03 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 63 G 8.42 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 *66 D 7.71 4.39 0.00 2.65 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 67 R 8.45 3.72 0.00 1.66 1.79 0.00 2.74 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.00 68 G 8.45 3.81 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 0.00 0.00 0.00 69 T 8.00 4.29 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 1.08 0.00 0.00 70 R 7.66 4.47 0.00 2.07 1.96 0.00 3.17 0.00 0.00 3.62 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 71 R 8.65 5.18 0.00 1.47 1.82 0.00 3.41 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 0.00 72 V 9.08 5.14 2.31 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 1.26 0.00 0.00 1.18 0.00 0.00 73 V 8.99 5.21 2.18 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 0.82 0.00 0.00 0.81 0.00 0.00 74 T 9.43 5.23 4.37 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 1.32 0.00 0.00 75 G 9.03 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 0.00 0.00 0.00 0.00 76 G 6.13 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 77 Y 8.19 4.43 0.00 3.06 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 78 G 8.14 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 0.00 0.00 0.00 79 E 8.16 4.16 0.00 2.24 1.79 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 2.63 2.53 0.00 80 Q 8.22 5.03 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 81 Y 9.56 5.37 0.00 2.99 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 82 W 9.62 5.47 0.00 3.36 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 83 S 8.61 4.28 0.00 2.99 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 84 P 0.00 3.68 0.00 2.01 1.83 0.00 3.15 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 85 D 6.65 4.49 0.00 2.67 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 86 H 8.68 2.67 0.00 2.92 3.08 0.00 5.80 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.22 3.02 0.00 3.21 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 88 A 7.64 4.12 1.29 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 0.00 0.00 0.00 89 T 7.94 4.67 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 1.14 0.00 0.00 90 F 8.51 5.29 0.00 2.86 2.93 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 91 Q 9.24 4.99 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 92 E 9.26 4.48 0.00 2.25 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 2.26 2.21 0.00 93 I 8.47 4.41 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.89 0.00 0.00 94 D 9.39 4.69 0.00 2.68 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 95 P 0.00 4.48 0.00 2.20 2.14 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 96 R 8.22 4.29 0.00 1.93 2.01 0.00 3.10 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 97 C 7.83 4.50 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.