NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4124 8.1885 115.4135 57.9481 64.5258 174.6211 3 A 3.9774 8.3994 124.3238 54.0664 18.1139 178.6626 4 K 3.8956 8.7816 119.4371 59.6569 32.6558 176.9839 5 D 4.3975 8.0765 119.1664 57.5173 40.7928 178.6095 6 E 3.9655 8.0068 118.5312 59.3092 29.4381 179.4941 7 R 3.8266 8.2200 118.4765 59.3888 30.1187 178.1796 8 A 4.1730 8.5284 118.5527 53.8130 18.5547 178.2362 9 R 4.2915 7.6404 117.4042 57.6070 31.0589 177.6198 10 E 4.1746 8.0981 116.9142 58.4748 29.6304 179.0624 11 I 3.7355 7.5306 120.8212 64.1766 37.3405 177.9333 12 L 4.1293 7.7761 119.3370 57.9053 41.4058 179.2389 13 R 4.0033 7.8405 117.3691 59.2699 30.3011 178.0083 14 G 3.7927 8.0464 103.1113 44.3886 0.0000 172.6225 15 F 5.0158 7.3553 124.0788 56.6253 40.7067 174.7419 16 K 4.1115 7.7518 128.6299 54.4524 35.5588 174.6777 17 L 4.2980 8.1978 130.0147 54.6573 41.6406 175.9700 18 N 4.5781 8.8305 125.6679 56.0329 39.2265 175.0792 19 W 4.9392 7.0800 113.6986 55.8948 31.2671 172.8439 *21 N 4.9467 8.6338 115.8918 53.4407 38.6228 173.1250 22 L 5.3600 9.5812 119.7454 53.2057 45.4009 176.1702 23 R 4.7990 9.0957 122.3045 54.1868 34.5059 174.6596 24 D 4.8619 8.8759 121.4409 53.4918 41.2370 176.8969 25 A 4.2237 9.7652 130.3763 55.0134 18.4318 178.6553 26 E 4.0605 8.3612 114.9564 59.1799 29.7135 178.1175 27 T 4.1654 8.0004 106.9578 61.3899 69.9911 175.7571 28 G 3.8870 8.7637 109.1338 45.1552 0.0000 172.8752 29 K 4.3998 7.6646 118.8755 54.8154 33.2891 176.1806 30 I 4.2114 8.1346 124.0015 61.6569 37.1128 175.8186 31 L 4.5147 9.4954 126.8971 56.0803 43.3228 177.1013 32 W 4.4253 7.6083 124.7931 56.4911 33.9832 172.8874 33 Q 4.0702 8.1468 128.2449 53.7949 31.1350 174.4820 34 G 3.1288 7.4197 112.7069 45.3144 0.0000 172.9430 35 T 3.3722 8.5235 120.4263 66.3411 69.2578 173.5194 36 E 4.5075 8.4879 117.6928 57.4728 32.4155 176.5769 37 D 4.3005 7.8094 129.7789 54.8951 38.9208 178.0272 38 L 3.7807 8.4276 119.8714 56.5720 42.4165 179.1030 39 S 4.4940 7.8639 112.6535 59.5919 64.0515 175.2278 40 V 3.7188 7.3927 119.6696 61.3448 31.3406 173.3898 41 P 4.8040 0.0000 0.0000 62.1918 33.5721 175.3296 42 G 3.9234 9.0167 105.5570 45.5221 0.0000 173.4259 43 V 4.1879 7.2835 117.9204 60.6723 34.1420 174.5776 44 E 4.2664 8.6665 128.2984 55.0193 29.0633 175.1538 45 H 4.5665 8.4112 124.0688 56.2569 29.9544 174.5654 46 E 5.3632 8.7527 120.0298 54.7597 34.0824 174.7223 47 A 4.0977 8.9644 123.6280 50.2550 21.7065 175.6822 48 R 4.6836 8.5658 123.0254 54.9148 29.6583 175.9273 49 V 4.3079 8.1107 123.6134 59.1871 34.3095 174.1614 50 P 4.6433 0.0000 0.0000 62.1500 32.1315 177.8350 51 K 4.1889 8.9241 121.8649 59.4540 31.8068 178.9988 52 K 3.9299 8.3982 118.2417 59.7317 31.5877 178.2874 53 I 4.4142 7.7177 117.8076 64.0767 37.8277 176.8402 54 L 4.2773 8.1567 117.5411 55.4201 41.7749 177.2375 55 K 4.3493 9.1881 117.9457 57.2206 33.4899 176.7931 56 C 4.4922 7.9176 115.5714 59.2866 29.0139 173.1826 57 K 4.2331 8.5318 118.4132 56.8034 33.4011 175.2695 58 A 4.7755 7.7784 121.9342 50.3469 19.9269 175.2760 59 V 4.8420 8.6004 121.7673 61.8154 34.8311 174.4831 60 S 4.7374 8.8627 122.0036 56.3919 66.1433 172.6801 61 R 5.0767 8.4442 123.6524 54.4699 32.3142 173.8414 62 E 5.1472 8.9758 127.0041 54.4683 32.3665 174.8369 63 L 5.2598 8.9305 124.0466 53.0718 46.5183 175.0699 64 N 5.0018 8.5621 119.5489 51.6980 41.8851 173.1202 65 F 5.1059 8.6809 120.9095 55.1313 41.7462 173.8182 66 S 5.0789 8.7298 116.8399 56.9355 66.0903 173.2827 67 S 4.8865 8.5164 117.3526 56.9625 64.6569 174.7313 68 T 3.9949 8.6408 118.8393 64.0048 69.2523 175.0135 69 E 4.4377 7.8887 120.0275 54.4934 31.1742 175.5788 70 Q 4.5332 7.9621 122.2796 54.8859 30.3729 175.2437 *72 E 4.5659 8.4325 116.9901 55.9036 31.9129 176.3476 73 K 4.8559 8.1273 117.1437 55.1778 32.1441 176.3733 74 F 5.1646 9.6289 125.5059 58.3702 41.0942 175.2042 75 R 5.0648 8.3255 121.3239 54.8250 33.5451 173.5378 76 L 5.0681 8.6609 119.3687 54.0254 44.6122 175.1880 77 E 4.7516 9.2111 119.4010 54.6812 33.2732 174.3734 78 Q 5.1092 8.9672 126.3242 54.1594 32.2570 174.3574 79 K 4.8363 8.8942 124.4569 54.6565 36.8525 175.1428 80 V 4.7542 8.7625 125.3996 61.4908 33.6307 173.8267 81 Y 5.1024 9.2283 126.0576 56.2100 41.2630 174.7178 82 F 5.0653 9.1015 126.2642 55.9985 41.0907 176.6772 83 K 3.4328 7.8466 128.1294 57.7226 31.2176 179.4217 84 G 3.8149 8.7726 117.9284 47.2875 0.0000 175.2422 85 Q 4.4015 7.9339 126.0980 56.0705 29.1544 176.8484 *87 L 4.3503 8.5219 112.8152 54.5444 44.0574 177.4262 88 E 4.4899 7.6185 115.4997 54.6292 34.5206 174.4400 89 E 4.6621 7.7336 120.4218 54.3951 32.1805 174.6781 90 W 5.0574 8.8870 124.3087 54.8096 32.7708 174.7935 91 F 5.2274 8.8443 119.2989 56.2696 42.8943 174.0356 92 F 4.3830 8.5134 121.7311 57.1435 43.0443 172.4398 93 E 4.3533 7.4985 127.2874 54.6685 29.9772 175.8510 94 F 4.3803 8.7153 126.9708 59.3317 40.1687 179.4346 95 G 3.9182 9.2718 109.2805 47.3437 0.0000 175.4589 96 F 4.6135 9.5851 119.3318 57.3993 40.8401 173.5753 97 V 4.2339 7.0629 126.1117 60.5153 33.5150 174.8756 98 I 3.9386 8.2536 128.3398 60.6067 37.6421 174.0954 99 P 4.2676 0.0000 0.0000 63.9696 32.0192 176.0126 100 N 4.1473 8.1257 116.3295 53.8264 36.0803 173.2040 101 S 4.6813 7.3556 113.2001 56.9973 67.2967 173.7631 102 T 4.7272 8.2821 117.2472 61.9588 70.9482 173.0741 103 N 4.9601 8.8293 124.1480 51.2530 42.2586 173.6940 104 T 5.0361 8.1465 110.3210 59.6957 72.0080 173.0474 105 W 5.1743 9.2076 133.1276 55.8622 34.1574 173.3955 106 Q 4.5824 8.0774 127.7103 53.9359 31.3843 174.2560 107 S 4.2787 7.6489 119.8565 56.0934 66.5555 172.7701 108 L 4.5596 8.0771 123.8178 53.6825 43.1111 175.8170 109 I 4.1634 9.5163 129.5807 60.6979 38.2047 175.0445 110 E 5.8604 8.7768 127.9567 53.3361 28.8155 173.9563 *119 P 4.1507 0.0000 0.0000 61.5598 33.2364 176.2714 120 A 4.1025 6.9035 128.7985 52.3405 22.3974 177.6676 121 S 4.0994 8.4276 114.7735 60.4049 63.7058 176.7909 122 V 3.9592 7.7935 119.4284 65.3802 32.0394 176.9181 123 L 4.3008 8.0131 119.2510 57.9474 41.6387 177.3692 124 T 4.1030 7.9104 112.7493 63.9835 67.2786 174.1016 125 G 3.1495 8.6568 117.5252 45.2712 0.0000 173.1907 126 N 4.7213 8.2836 116.1362 52.7929 40.1163 173.9906 127 V 4.5297 7.5546 120.4041 61.2826 33.8204 174.2907 128 I 4.8697 8.6965 128.2224 59.5611 40.8976 174.4371 129 I 4.9051 8.7893 127.4011 59.6665 39.6175 174.0894 130 E 5.1050 9.1727 129.1050 53.9557 31.9574 174.5271 131 T 4.8778 8.5617 123.8760 61.9253 70.9321 173.4467 132 K 4.7889 9.0193 126.7369 54.5211 34.9448 175.2530 133 F 5.1061 8.5372 123.3226 55.6275 41.6479 174.6082 134 F 5.2612 8.9738 121.8258 55.6601 43.1517 173.8243 135 D 4.9167 9.2199 122.9367 54.9817 42.1433 176.7724 136 D 4.6154 10.0833 130.3531 54.8537 40.8266 173.6380 137 D 4.8680 8.9033 115.2286 53.3708 44.1294 175.0922 138 L 4.3115 8.2387 123.4493 53.8553 42.7506 175.4858 139 L 4.0694 8.4895 128.4294 54.9776 42.5724 176.0560 140 V 4.1734 8.2123 125.8956 64.0685 33.4335 175.4193 141 S 4.7253 7.3999 111.7639 57.8281 65.7531 174.1932 142 T 5.1599 8.5292 120.6633 62.2461 71.9117 173.1633 143 S 5.0403 9.1762 120.8842 56.8336 66.0884 172.9668 144 R 4.9635 8.4028 121.7340 55.0197 34.0964 174.6975 145 V 4.6947 8.7508 123.3497 61.1588 35.0108 173.9103 146 R 4.7786 9.2299 128.7921 55.1611 31.9596 174.7303 147 L 4.5898 9.4128 127.1570 53.5490 43.6767 175.5218 148 F 4.7707 8.8733 122.7714 55.6553 41.9836 174.3484 149 Y 4.2677 8.4523 123.4118 57.8701 37.9078 176.4323 150 V 3.6794 10.5615 123.7117 63.2607 33.1804 171.5439 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 2 S 8.19 4.41 0.00 4.02 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 3 A 8.40 3.98 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 4 K 8.78 3.90 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 5 D 8.08 4.40 0.00 3.02 2.70 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 0.00 0.00 0.00 0.00 6 E 8.01 3.97 0.00 2.20 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 2.33 2.37 0.00 7 R 8.22 3.83 0.00 2.11 2.02 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 8 A 8.53 4.17 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 9 R 7.64 4.29 0.00 1.95 2.04 0.00 3.09 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 10 E 8.10 4.17 0.00 2.24 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 0.00 2.63 2.41 0.00 11 I 7.53 3.74 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.86 0.00 0.00 12 L 7.78 4.13 0.00 1.86 1.72 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.84 4.00 0.00 1.91 1.97 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 14 G 8.05 3.79 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 0.00 0.00 0.00 15 F 7.36 5.02 0.00 2.77 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 16 K 7.75 4.11 0.00 1.62 1.33 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.16 7.81 17 L 8.20 4.30 0.00 1.68 1.60 1.16 1.32 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 18 N 8.83 4.58 0.00 2.40 2.81 0.00 0.00 6.84 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 19 W 7.08 4.94 0.00 3.27 3.33 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 *21 N 8.63 4.95 0.00 2.83 2.90 0.00 0.00 5.75 6.67 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 22 L 9.58 5.36 0.00 1.78 1.70 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.10 4.80 0.00 1.68 1.77 0.00 3.09 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 24 D 8.88 4.86 0.00 2.74 2.57 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 25 A 9.77 4.22 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 26 E 8.36 4.06 0.00 2.04 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 2.35 2.25 0.00 27 T 8.00 4.17 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 28 G 8.76 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 29 K 7.66 4.40 0.00 1.89 1.72 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.43 7.81 30 I 8.13 4.21 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.84 0.00 0.00 31 L 9.50 4.51 0.00 1.61 1.82 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 W 7.61 4.43 0.00 3.36 3.03 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 33 Q 8.15 4.07 0.00 1.62 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 34 G 7.42 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 0.00 0.00 0.00 35 T 8.52 3.37 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 1.17 0.00 0.00 36 E 8.49 4.51 0.00 2.18 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 2.24 2.39 0.00 37 D 7.81 4.30 0.00 2.82 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 38 L 8.43 3.78 0.00 1.65 1.76 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.86 4.49 0.00 3.98 3.97 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 0.00 0.00 0.00 0.00 40 V 7.39 3.72 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 0.91 0.00 0.00 0.97 0.00 0.00 41 P 0.00 4.80 0.00 2.19 2.10 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 42 G 9.02 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 43 V 7.28 4.19 2.05 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 0.60 0.00 0.00 0.94 0.00 0.00 44 E 8.67 4.27 0.00 1.96 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 2.31 2.46 0.00 45 H 8.41 4.57 0.00 3.50 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.75 5.36 0.00 1.65 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 0.00 2.42 2.41 0.00 47 A 8.96 4.10 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.57 4.68 0.00 1.75 1.91 0.00 3.29 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 49 V 8.11 4.31 1.71 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 0.23 0.00 0.00 0.95 0.00 0.00 50 P 0.00 4.64 0.00 2.26 2.06 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 51 K 8.92 4.19 0.00 1.88 1.93 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.64 7.81 52 K 8.40 3.93 0.00 1.88 1.92 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.62 7.81 53 I 7.72 4.41 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 1.26 0.00 0.00 54 L 8.16 4.28 0.00 1.68 1.56 0.26 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.19 4.35 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 56 C 7.92 4.49 0.00 3.04 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 57 K 8.53 4.23 0.00 1.93 2.05 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.56 7.81 58 A 7.78 4.78 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 59 V 8.60 4.84 2.23 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 1.02 0.00 0.00 0.98 0.00 0.00 60 S 8.86 4.74 0.00 3.78 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 61 R 8.44 5.08 0.00 1.81 1.62 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 62 E 8.98 5.15 0.00 2.15 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 0.00 2.36 2.26 0.00 63 L 8.93 5.26 0.00 1.99 1.80 1.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.56 5.00 0.00 1.44 1.42 0.00 0.00 6.87 7.25 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 65 F 8.68 5.11 0.00 2.54 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 66 S 8.73 5.08 0.00 3.49 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.89 0.00 3.85 3.54 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 68 T 8.64 3.99 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 1.21 0.00 0.00 69 E 7.89 4.44 0.00 1.91 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 2.28 2.18 0.00 70 Q 7.96 4.53 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 *72 E 8.43 4.57 0.00 2.12 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 0.00 2.29 2.38 0.00 73 K 8.13 4.86 0.00 1.82 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 74 F 9.63 5.16 0.00 3.10 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 75 R 8.33 5.06 0.00 1.82 2.01 0.00 2.64 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 76 L 8.66 5.07 0.00 0.96 1.55 0.51 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.21 4.75 0.00 1.92 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 2.31 2.20 0.00 78 Q 8.97 5.11 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 79 K 8.89 4.84 0.00 1.66 1.21 0.00 1.74 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 1.26 7.81 80 V 8.76 4.75 2.12 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 1.06 0.00 0.00 1.10 0.00 0.00 81 Y 9.23 5.10 0.00 2.88 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 82 F 9.10 5.07 0.00 3.23 3.03 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 83 K 7.85 3.43 0.00 1.78 0.74 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.42 0.21 7.81 84 G 8.77 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 85 Q 7.93 4.40 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.34 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 *87 L 8.52 4.35 0.00 1.60 1.76 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.62 4.49 0.00 1.80 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 2.32 2.31 0.00 89 E 7.73 4.66 0.00 1.57 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.29 0.00 90 W 8.89 5.06 0.00 3.29 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 91 F 8.84 5.23 0.00 2.83 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 92 F 8.51 4.38 0.00 2.71 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 0.00 0.00 0.00 0.00 93 E 7.50 4.35 0.00 1.87 1.44 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 2.15 2.23 0.00 94 F 8.72 4.38 0.00 3.31 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 95 G 9.27 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 96 F 9.59 4.61 0.00 3.06 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 97 V 7.06 4.23 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 0.81 0.00 0.00 0.87 0.00 0.00 98 I 8.25 3.94 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.75 0.99 0.00 0.00 99 P 0.00 4.27 0.00 2.16 2.03 0.00 4.00 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 100 N 8.13 4.15 0.00 2.81 2.82 0.00 0.00 6.78 8.53 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 0.00 101 S 7.36 4.68 0.00 3.75 3.84 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 0.00 102 T 8.28 4.73 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 1.03 0.00 0.00 103 N 8.83 4.96 0.00 1.44 2.24 0.00 0.00 6.07 7.67 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 0.00 104 T 8.15 5.04 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 1.05 0.00 0.00 105 W 9.21 5.17 0.00 3.82 3.45 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 0.00 106 Q 8.08 4.58 0.00 1.86 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 1.97 2.21 0.00 107 S 7.65 4.28 0.00 3.13 3.18 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 0.00 108 L 8.08 4.56 0.00 1.54 1.51 0.89 1.02 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 0.00 109 I 9.52 4.16 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.12 1.43 0.00 0.00 110 E 8.78 5.86 0.00 1.89 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 0.00 2.46 2.16 0.00 *119 P 0.00 4.15 0.00 2.00 2.08 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 120 A 6.90 4.10 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 0.00 121 S 8.43 4.10 0.00 4.01 4.06 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 0.00 122 V 7.79 3.96 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 0.98 0.00 0.00 0.96 0.00 0.00 123 L 8.01 4.30 0.00 1.65 1.68 0.71 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.91 4.10 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 1.31 0.00 0.00 125 G 8.66 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 0.00 0.00 0.00 126 N 8.28 4.72 0.00 2.85 2.43 0.00 0.00 6.39 7.27 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 0.00 127 V 7.55 4.53 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 1.10 0.00 0.00 1.19 0.00 0.00 128 I 8.70 4.87 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.98 0.00 0.00 129 I 8.79 4.91 1.96 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 1.20 1.11 1.03 0.00 0.00 130 E 9.17 5.11 0.00 2.09 1.89 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 2.23 2.23 0.00 131 T 8.56 4.88 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 0.60 0.00 0.00 132 K 9.02 4.79 0.00 1.71 1.43 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.31 1.53 7.81 133 F 8.54 5.11 0.00 2.60 2.42 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 0.00 134 F 8.97 5.26 0.00 2.80 2.85 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 0.00 0.00 0.00 135 D 9.22 4.92 0.00 2.91 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 0.00 136 D 10.08 4.62 0.00 2.84 2.57 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 0.00 137 D 8.90 4.87 0.00 2.65 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 0.00 138 L 8.24 4.31 0.00 1.77 1.72 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.49 4.07 0.00 1.48 1.46 0.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.21 4.17 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 0.39 0.00 0.00 0.92 0.00 0.00 141 S 7.40 4.73 0.00 3.93 3.66 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 0.00 142 T 8.53 5.16 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 0.00 143 S 9.18 5.04 0.00 4.03 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 0.00 144 R 8.40 4.96 0.00 1.76 1.84 0.00 3.24 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 145 V 8.75 4.69 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 0.99 0.00 0.00 1.12 0.00 0.00 146 R 9.23 4.78 0.00 1.94 1.97 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.47 0.00 147 L 9.41 4.59 0.00 1.57 1.09 0.56 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.87 4.77 0.00 2.86 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 0.00 149 Y 8.45 4.27 0.00 2.90 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 0.00 150 V 10.56 3.68 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 0.71 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.