NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6907 8.4549 120.6416 56.5797 44.7997 172.8400 2 T 4.5718 8.4796 122.6783 61.4746 71.2491 172.6182 3 C 5.1431 8.4623 123.5369 54.5216 44.5810 173.8754 4 V 3.7934 8.3224 123.1343 60.4642 31.5975 173.5943 5 P 4.1601 0.0000 0.0000 62.4535 30.7881 173.9900 6 P 4.5809 0.0000 0.0000 62.0567 32.0544 176.5400 7 H 4.3987 8.6983 120.9422 54.7211 30.8780 174.6167 8 P 3.3366 0.0000 0.0000 65.2913 30.7196 178.8477 9 Q 2.5396 7.1868 117.8269 59.1393 28.7742 178.1785 10 T 3.9030 7.5929 113.2070 64.8230 67.4708 175.9481 11 A 4.0606 7.8434 122.8118 54.7911 18.1336 179.3409 12 F 4.1137 7.7799 118.1831 61.8086 39.5753 176.5271 13 C 4.5384 7.8832 113.6143 59.5464 40.0863 175.1530 14 N 4.4137 7.6874 116.8896 54.3838 38.9488 176.2284 15 S 4.3876 7.4762 115.7742 58.4766 63.6169 174.0832 16 D 4.5733 8.6418 123.8112 56.6043 41.6705 176.8800 17 L 4.8763 8.3720 118.3533 52.9625 45.7177 176.1370 18 V 4.9972 8.1111 117.5865 59.5911 34.0405 175.0967 19 I 5.1334 9.1134 118.5620 59.3510 41.9675 174.0607 20 R 5.1209 8.4832 121.5636 54.5547 32.1097 175.3591 21 A 5.3172 9.3130 124.7949 50.8041 23.3554 174.6887 22 K 5.0428 8.3853 119.1669 55.2144 35.4428 175.3065 23 F 4.4789 8.8583 122.0579 56.9379 39.5594 175.4254 24 V 4.1978 8.7015 123.1630 61.4572 32.5344 175.4950 25 G 4.2164 8.6212 104.8761 46.6735 0.0000 173.5218 26 T 4.7528 7.9420 112.0962 58.9907 70.3798 170.8824 27 P 4.5828 0.0000 0.0000 60.8158 32.9341 174.9175 28 E 4.2881 8.0168 122.1880 54.6005 27.8778 176.4957 29 V 3.4897 7.2591 123.1354 60.1064 31.1090 172.1241 30 N 4.1835 8.0322 132.6681 53.3099 36.9882 174.2989 31 Q 4.5029 8.2974 126.5883 57.1871 29.6789 177.0084 32 T 4.3862 8.0135 114.2266 66.6284 70.7541 175.6888 33 T 4.1254 7.8451 113.6659 62.0894 67.9604 175.4393 34 L 3.8299 7.6389 117.5686 55.5985 39.7966 172.6770 35 Y 5.1784 7.5134 116.3758 56.1504 40.3680 175.1806 36 Q 5.1586 9.8235 121.6748 53.6173 32.5541 174.4115 37 R 4.8945 7.9089 114.4916 54.7551 33.2715 173.1587 38 Y 5.0065 8.8142 119.3104 56.1909 40.6919 174.5851 39 E 4.1000 8.9517 125.6959 55.7468 30.9387 175.1841 40 I 4.7305 7.8838 122.1646 59.6389 40.8161 176.4253 *41 K 4.4157 8.3152 128.4382 53.6463 32.2488 174.5973 42 M 4.3897 8.3326 126.8590 55.4019 32.2071 175.1997 43 T 4.4385 9.4147 118.3860 62.8578 71.3098 175.0993 *44 K 4.9358 7.7804 123.8436 52.9048 36.2008 176.8425 45 M 4.9391 7.8904 117.9932 54.1297 33.1432 174.5557 46 Y 4.8705 8.6370 118.0776 57.9187 40.7036 174.9698 47 K 4.4413 7.9294 118.3573 54.5879 36.0339 175.1134 48 G 4.1159 10.0313 115.0924 44.0039 0.0000 175.7364 *49 F 3.9326 9.3725 131.4612 53.9777 34.2245 176.4150 *50 Q 3.5213 8.5683 120.5209 57.6530 28.0301 176.0885 51 A 3.9886 6.9954 120.2202 56.0893 16.7666 176.1196 *52 L 4.3471 9.4406 122.3041 51.6583 39.5934 172.9149 53 G 4.0121 9.6724 105.2176 48.9169 0.0000 174.9276 *54 D 4.3339 10.1248 121.2234 55.5725 39.3375 177.0203 55 A 4.3879 8.7657 120.5990 52.2982 18.9621 178.5067 56 A 3.9974 8.2639 122.2675 56.6183 17.6495 181.3769 57 D 4.7328 9.0785 120.1810 52.9926 42.8304 176.6492 58 I 3.3570 7.7248 112.4593 63.2856 36.6524 174.8621 *59 R 4.5834 7.7002 120.0000 57.9765 32.2347 178.7318 60 F 5.3104 8.2076 113.7037 56.0084 43.5291 174.4930 61 V 4.6682 8.8421 120.1191 60.3504 33.9087 174.2014 62 Y 5.0849 9.0853 123.0004 56.9790 40.5430 174.5867 63 T 5.1148 8.9981 114.8405 60.4844 71.5154 171.0443 64 P 4.3159 0.0000 0.0000 63.1435 32.0545 176.9465 65 A 4.0350 9.0572 124.4797 53.8711 19.5730 177.8517 66 M 4.5862 7.8090 115.5457 53.7134 33.6798 176.9212 67 E 4.2131 9.0018 124.3046 59.1845 30.1587 178.9171 68 S 4.2142 8.1366 112.6258 60.2399 63.3874 174.9310 69 V 4.2565 7.7494 119.0913 61.6168 31.5907 176.1850 70 C 4.0307 7.6530 115.4664 59.3163 37.6018 173.3145 71 G 4.1366 8.1064 108.5720 44.8829 0.0000 173.6942 72 Y 4.1923 8.8094 126.7031 57.3120 38.7445 174.8373 73 F 4.3462 8.2683 127.0210 55.6415 39.7874 175.1596 74 H 3.6581 8.6088 127.5035 55.5737 29.6173 175.1298 75 R 4.1549 8.0484 125.3994 57.2642 30.4953 177.2452 *76 S 4.2274 7.2743 115.7681 58.1208 62.4396 178.0309 77 H 4.6092 8.9065 128.3904 55.4002 31.1501 173.7647 *78 N 4.4284 8.7131 126.2322 53.4508 35.4025 174.1345 *79 R 4.3432 8.5422 122.7523 57.1984 29.4789 174.2280 *80 S 4.7750 7.5967 114.3262 58.6794 62.6403 178.9850 81 E 4.7645 7.9700 121.7432 55.2818 32.7544 173.7319 82 E 4.6348 8.8068 125.5048 55.9038 31.3413 175.3331 83 F 5.2423 9.3868 122.1535 55.5675 43.4456 174.0763 84 L 4.8168 9.5252 125.2327 54.4764 43.2721 175.3879 85 I 4.5475 9.0126 128.8075 59.7074 39.1579 174.7911 86 A 5.1889 8.7299 130.3438 50.3353 20.4134 175.6022 87 G 4.2858 9.1668 108.7643 45.3998 0.0000 170.8530 88 K 4.7959 8.7725 118.9866 55.1133 34.4904 176.4336 89 L 4.9758 9.1220 126.3955 53.8885 42.0032 174.5877 90 Q 4.2739 8.7573 126.8460 55.5637 29.4742 174.6135 *91 D 4.7393 9.1837 124.4362 52.9974 38.6014 171.5317 92 G 4.1744 7.5570 103.8843 46.4396 0.0000 172.3596 93 L 4.7674 7.8496 119.8046 52.1537 45.0928 175.2909 94 L 4.7337 8.4751 123.2689 55.1680 43.3117 174.9559 95 H 5.7088 9.6532 124.3818 54.0579 31.5514 173.4941 96 I 5.1471 9.0209 115.8350 59.5078 41.2392 173.8784 97 T 4.9670 8.8975 112.5495 60.1870 72.1431 174.6299 98 T 4.1171 8.7266 117.1834 67.0310 68.4530 175.7417 99 C 4.5779 7.8971 116.8138 58.2736 40.7368 174.0891 100 S 4.5899 7.7084 116.4422 57.9375 63.6876 174.2229 101 F 4.3061 8.9875 125.9458 58.2827 40.0230 174.1050 102 V 5.2734 8.1614 125.6518 60.0361 33.9456 174.3106 103 A 4.9180 8.4764 128.3612 49.5606 23.0442 173.4133 104 P 3.7362 0.0000 0.0000 62.0119 32.1014 177.1573 105 W 4.2460 9.1016 133.1978 60.6697 30.7502 177.8766 106 N 4.3715 8.1420 114.0984 55.7585 38.1196 176.0737 107 S 4.3009 7.5461 110.8824 59.3216 63.6740 174.7239 108 L 4.2597 7.1305 121.5665 54.4993 42.0092 177.5534 109 S 4.4802 8.1718 117.2662 57.1417 65.8896 175.2962 110 L 3.8423 8.2574 120.2694 58.1758 41.3510 179.6706 111 A 4.0096 7.8416 119.9487 55.0380 18.4151 179.6458 112 Q 4.0002 7.5109 116.6599 58.7683 29.0405 179.1125 113 R 3.7738 8.0769 121.5792 59.6447 29.8069 179.8938 *114 R 4.2476 8.4923 120.8284 60.5818 29.3169 182.2081 115 G 2.2604 7.2406 104.3710 47.8344 0.0000 176.0838 116 F 4.1199 7.1436 118.6836 60.0138 38.8975 177.7949 117 T 4.4453 7.6108 116.5231 65.1638 69.6627 175.6781 *118 K 5.3229 6.3508 126.4392 55.2376 35.0880 175.5817 119 T 4.4908 7.0281 116.0891 65.0925 73.1420 175.9612 120 Y 4.2804 7.3911 118.8939 60.9360 38.2149 176.6222 121 T 4.6912 7.3432 117.0262 64.0278 68.3205 174.7200 122 V 4.1815 7.9210 120.4431 63.8819 33.8189 175.5594 123 G 4.0392 7.4933 110.7092 43.3745 0.0000 172.0602 124 C 4.6108 8.4477 122.0756 56.9708 41.8644 174.2943 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 1 C 8.45 4.69 0.00 3.19 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 2 T 8.48 4.57 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 3 C 8.46 5.14 0.00 2.96 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 4 V 8.32 3.79 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 0.78 0.00 0.00 0.97 0.00 0.00 5 P 0.00 4.16 0.00 2.23 2.20 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 6 P 0.00 4.58 0.00 2.45 2.25 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 7 H 8.70 4.40 0.00 3.12 3.14 0.00 5.63 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 8 P 0.00 3.34 0.00 1.65 1.64 0.00 3.47 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 2.05 1.89 0.00 9 Q 7.19 2.54 0.00 1.57 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 10 T 7.59 3.90 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 1.22 0.00 0.00 11 A 7.84 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 12 F 7.78 4.11 0.00 3.11 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 13 C 7.88 4.54 0.00 3.07 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 14 N 7.69 4.41 0.00 2.71 2.89 0.00 0.00 7.05 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 15 S 7.48 4.39 0.00 3.87 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 16 D 8.64 4.57 0.00 2.61 2.71 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 0.00 0.00 0.00 0.00 17 L 8.37 4.88 0.00 1.59 1.51 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.11 5.00 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 0.99 0.00 0.00 1.00 0.00 0.00 19 I 9.11 5.13 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.89 0.00 0.00 20 R 8.48 5.12 0.00 1.66 1.66 0.00 2.21 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.51 0.00 21 A 9.31 5.32 0.97 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 0.00 0.00 22 K 8.39 5.04 0.00 2.08 2.06 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 23 F 8.86 4.48 0.00 2.73 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 24 V 8.70 4.20 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 0.76 0.00 0.00 0.93 0.00 0.00 25 G 8.62 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 0.00 0.00 0.00 0.00 26 T 7.94 4.75 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 1.23 0.00 0.00 27 P 0.00 4.58 0.00 1.88 1.60 0.00 3.80 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 1.82 1.94 0.00 28 E 8.02 4.29 0.00 2.11 1.83 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 2.20 2.19 0.00 29 V 7.26 3.49 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 0.74 0.00 0.00 0.89 0.00 0.00 30 N 8.03 4.18 0.00 3.01 2.87 0.00 0.00 6.66 7.12 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 31 Q 8.30 4.50 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 32 T 8.01 4.39 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 33 T 7.85 4.13 4.30 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 1.36 0.00 0.00 34 L 7.64 3.83 0.00 1.86 1.60 0.97 0.66 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 35 Y 7.51 5.18 0.00 2.84 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 36 Q 9.82 5.16 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 37 R 7.91 4.89 0.00 1.17 1.36 0.00 2.21 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 38 Y 8.81 5.01 0.00 3.13 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 39 E 8.95 4.10 0.00 2.06 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 40 I 7.88 4.73 1.54 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.63 0.30 0.00 0.00 *41 K 8.32 4.42 0.00 1.48 1.77 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.24 7.81 42 M 8.33 4.39 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 43 T 9.41 4.44 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 1.13 0.00 0.00 *44 K 7.78 4.94 0.00 1.42 1.66 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 45 M 7.89 4.94 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 46 Y 8.64 4.87 0.00 3.15 3.29 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 47 K 7.93 4.44 0.00 1.58 1.41 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.61 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.33 1.32 7.81 48 G 10.03 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 0.00 0.00 0.00 *49 F 9.37 3.93 0.00 2.37 2.39 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 *50 Q 8.57 3.52 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.61 0.00 0.00 0.00 0.00 0.00 2.27 1.90 0.00 51 A 7.00 3.99 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 *52 L 9.44 4.35 0.00 1.75 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.67 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 0.00 0.00 0.00 *54 D 10.12 4.33 0.00 2.79 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 55 A 8.77 4.39 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 56 A 8.26 4.00 1.04 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 0.00 0.00 57 D 9.08 4.73 0.00 2.65 2.51 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 0.00 0.00 0.00 0.00 58 I 7.72 3.36 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.91 0.00 0.00 *59 R 7.70 4.58 0.00 1.51 1.95 0.00 3.19 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.00 60 F 8.21 5.31 0.00 2.73 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 61 V 8.84 4.67 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 0.89 0.00 0.00 1.02 0.00 0.00 62 Y 9.09 5.08 0.00 2.62 2.73 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 0.00 0.00 0.00 63 T 9.00 5.11 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 1.49 0.00 0.00 64 P 0.00 4.32 0.00 2.14 1.68 0.00 3.77 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 65 A 9.06 4.04 1.22 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 0.00 0.00 0.00 66 M 7.81 4.59 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 67 E 9.00 4.21 0.00 1.86 1.90 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 2.40 2.36 0.00 68 S 8.14 4.21 0.00 4.02 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 0.00 69 V 7.75 4.26 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 0.75 0.00 0.00 0.92 0.00 0.00 70 C 7.65 4.03 0.00 3.21 3.41 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 71 G 8.11 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.81 4.19 0.00 2.96 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 73 F 8.27 4.35 0.00 2.90 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 74 H 8.61 3.66 0.00 2.00 2.87 0.00 5.93 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 75 R 8.05 4.15 0.00 1.87 1.92 0.00 3.05 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 *76 S 7.27 4.23 0.00 3.65 3.72 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 77 H 8.91 4.61 0.00 3.10 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 N 8.71 4.43 0.00 2.79 3.09 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 *79 R 8.54 4.34 0.00 1.82 1.85 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *80 S 7.60 4.77 0.00 3.57 3.75 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 81 E 7.97 4.76 0.00 1.99 2.11 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 2.03 2.31 0.00 82 E 8.81 4.63 0.00 2.03 1.86 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 2.38 2.37 0.00 83 F 9.39 5.24 0.00 3.26 3.14 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 0.00 0.00 0.00 84 L 9.53 4.82 0.00 1.90 1.83 0.73 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.01 4.55 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 0.88 0.00 0.00 86 A 8.73 5.19 1.48 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 87 G 9.17 4.29 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 0.00 88 K 8.77 4.80 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.56 7.81 89 L 9.12 4.98 0.00 1.59 1.70 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.76 4.27 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 5.45 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 *91 D 9.18 4.74 0.00 2.88 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 92 G 7.56 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 0.00 0.00 0.00 0.00 93 L 7.85 4.77 0.00 1.45 1.28 0.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.48 4.73 0.00 1.83 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 H 9.65 5.71 0.00 3.14 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.02 5.15 1.80 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.90 0.00 0.00 97 T 8.90 4.97 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 1.33 0.00 0.00 98 T 8.73 4.12 4.34 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 1.30 0.00 0.00 99 C 7.90 4.58 0.00 2.98 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 0.00 100 S 7.71 4.59 0.00 3.89 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 0.00 101 F 8.99 4.31 0.00 3.20 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 0.00 102 V 8.16 5.27 1.96 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 0.92 0.00 0.00 0.72 0.00 0.00 103 A 8.48 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 3.74 0.00 1.89 1.22 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 105 W 9.10 4.25 0.00 3.37 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 0.00 106 N 8.14 4.37 0.00 2.74 2.86 0.00 0.00 6.92 7.57 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 0.00 107 S 7.55 4.30 0.00 3.93 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 0.00 108 L 7.13 4.26 0.00 1.40 1.38 1.06 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.17 4.48 0.00 3.99 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 0.00 110 L 8.26 3.84 0.00 1.65 1.70 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.84 4.01 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 0.00 112 Q 7.51 4.00 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 113 R 8.08 3.77 0.00 1.71 1.78 0.00 2.75 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 *114 R 8.49 4.25 0.00 1.77 1.94 0.00 3.27 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 115 G 7.24 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 0.00 0.00 0.00 0.00 0.00 0.00 116 F 7.14 4.12 0.00 2.92 2.59 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 0.00 0.00 0.00 117 T 7.61 4.45 4.29 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 1.36 0.00 0.00 *118 K 6.35 5.32 0.00 1.85 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.14 1.04 7.81 119 T 7.03 4.49 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 1.03 0.00 0.00 120 Y 7.39 4.28 0.00 1.53 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 0.00 0.00 0.00 0.00 121 T 7.34 4.69 4.35 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 1.48 0.00 0.00 122 V 7.92 4.18 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 0.82 0.00 0.00 0.96 0.00 0.00 123 G 7.49 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 0.00 0.00 0.00 124 C 8.45 4.61 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.