NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.3349 8.4145 122.1404 54.6682 33.5847 176.4075 10 R 4.5406 8.7970 122.4662 53.3389 31.1869 172.3085 11 V 4.6674 9.2286 125.1100 62.1804 32.1094 176.4782 *12 F 3.5844 9.4896 120.2755 59.5334 38.7523 179.4768 13 K 3.6671 9.3547 116.5942 58.8043 30.3533 183.3971 14 T 4.6282 8.8948 109.4192 61.0515 72.5485 176.8405 *15 H 4.7979 8.0065 126.1953 52.3519 30.2631 172.5605 16 S 3.8815 9.1689 128.3926 59.4950 60.3577 174.2425 *17 Y 4.3559 8.7642 126.0828 59.4217 38.4160 176.0852 18 R 4.3394 8.0431 117.9935 54.2147 37.1715 173.7021 19 G 3.9391 8.4347 109.1815 45.4072 0.0000 174.7309 20 V 3.9700 8.1086 117.1104 61.2766 30.2971 172.8003 21 D 4.8754 7.8129 122.2633 53.1442 42.3010 177.9536 22 L 3.7809 8.4317 122.5345 56.3495 40.0747 178.2299 23 E 3.9330 8.0344 114.6218 59.9138 29.3990 179.8309 24 K 4.6229 8.5608 119.4512 55.8091 34.0261 180.1948 25 L 4.8031 7.5092 125.1900 54.4682 39.4616 183.8995 26 L 4.0948 9.2055 122.4739 58.9643 40.6966 179.6831 27 E 4.0533 7.6134 116.4475 59.4815 29.6974 180.2292 28 M 3.8913 9.2458 118.5524 56.0780 30.8166 177.9373 29 S 3.7689 8.6718 127.3897 57.8965 58.8342 171.1328 30 T 4.1987 8.4364 119.9182 62.5649 68.4793 174.4874 31 E 4.7023 7.9442 117.4928 57.0040 29.8515 183.0858 32 D 4.3821 8.1158 122.5598 57.0496 39.8702 181.8659 *33 F 4.2452 8.3966 121.8205 60.0022 38.7969 181.2742 34 V 3.8621 7.3377 119.5921 61.1155 30.3451 182.3706 35 K 4.2977 8.3479 133.4482 54.7029 35.3113 174.6598 36 L 3.7205 8.0843 126.1168 54.4220 41.6358 175.2572 37 A 3.6462 8.7742 130.3269 51.6152 14.9301 174.2293 38 P 4.7659 0.0000 0.0000 63.3978 34.3226 177.1537 39 A 4.2371 7.8996 123.5325 54.9113 18.7879 180.3726 40 R 4.0415 8.1212 115.7266 59.1861 29.8693 183.5958 41 V 3.6756 7.2379 114.4030 64.7244 31.4882 181.9999 42 R 4.4399 7.8831 120.6429 55.8826 27.8635 179.5025 43 R 4.6955 8.0775 124.5183 55.3886 31.2376 175.3373 44 R 4.3391 8.0451 117.9852 56.7971 30.8234 178.0412 *45 F 4.1593 8.4934 123.1226 56.4336 38.3839 174.2648 46 A 4.6395 7.8754 122.0159 50.8628 17.7182 176.6204 47 R 4.3077 7.8391 117.7162 56.1307 33.1832 174.6002 48 G 3.9544 9.9754 110.8564 47.3435 0.0000 174.1309 49 M 4.2481 7.9207 117.3670 54.9441 33.5237 173.9155 50 T 4.4226 8.5323 121.8670 58.1145 68.4505 172.2694 51 S 4.2679 8.8049 132.1000 57.5275 66.5760 176.2839 52 K 4.0907 10.3219 135.0000 55.0870 31.0508 176.1244 53 P 5.2452 0.0000 0.0000 60.8676 33.9560 173.8843 54 A 4.7907 8.3710 123.9332 52.6378 19.5822 176.5171 55 G 4.0592 8.5596 106.0282 47.0782 0.0000 175.8902 *56 F 4.2194 7.9737 123.8496 61.9222 37.8094 179.6446 57 M 4.5098 8.2018 120.0649 59.9294 31.2828 183.9384 58 K 3.8779 8.2541 124.9492 60.5323 31.6126 185.0000 59 K 4.3903 7.9506 124.3355 60.8441 31.8362 184.8012 60 L 4.2241 8.1598 124.4847 58.1672 40.5986 182.0687 61 R 4.5551 9.2529 121.0709 58.3621 29.7283 182.1198 62 A 4.6363 6.2000 118.2989 51.7228 17.3094 177.1662 63 A 4.6519 7.6139 130.4682 53.7997 26.3000 179.1102 64 K 4.1811 8.8422 119.0811 58.4635 32.7859 180.3754 65 L 4.7204 7.0375 125.1909 51.2359 39.5670 181.5092 66 A 3.5372 9.6786 110.7195 54.6199 14.9253 170.4990 67 A 3.5802 8.3836 130.9418 51.9965 18.9988 177.3664 68 P 4.0042 0.0000 0.0000 65.0832 28.0079 171.3775 69 E 3.8105 8.0607 121.3063 57.4472 26.8311 177.7026 70 N 4.5244 8.1958 113.5715 53.9320 38.1267 177.9050 71 E 4.6938 8.0953 117.5324 58.8204 29.7045 181.0980 72 K 4.2699 6.9447 122.6903 52.9528 33.0164 177.1771 73 P 4.7901 0.0000 0.0000 62.6624 35.3843 169.5367 74 A 4.9701 8.1665 124.1543 53.3370 21.9353 177.2470 75 P 4.2465 0.0000 0.0000 63.4585 30.2047 179.5909 76 V 3.2367 9.2601 115.1841 62.8082 28.2652 173.7888 77 R 4.9156 7.2028 121.8787 55.6716 32.2709 178.8591 78 T 4.0787 8.3405 107.6141 61.2239 71.0786 174.3308 *79 H 3.9738 8.9690 126.5092 55.2810 28.5378 172.7444 80 M 4.9421 8.3559 130.4337 54.4492 33.8113 173.9373 81 R 4.2186 8.3238 119.1196 58.8350 30.0520 179.8998 82 N 4.5160 8.0816 117.6782 56.3836 38.3784 180.3949 83 M 4.1931 8.3620 123.0158 56.2678 32.1746 179.1175 84 I 4.2977 8.7664 127.0354 59.8868 36.9870 172.8645 85 I 3.3023 8.6948 128.0898 63.0142 34.1420 177.7115 86 V 2.5709 7.7339 122.4790 60.7270 32.6874 173.2694 87 P 4.8804 0.0000 0.0000 63.0516 31.9237 179.4652 88 E 4.3804 8.3051 114.4030 58.6786 29.7221 181.4945 89 M 4.2363 8.1661 120.9186 56.9779 32.4164 183.7292 90 I 3.5978 7.7569 119.1903 59.6699 35.5267 176.1767 91 G 4.7357 8.1199 109.5712 46.5007 0.0000 173.0837 92 S 4.7707 7.8916 126.1277 59.6825 69.9489 173.3533 93 V 5.1823 8.4739 119.2149 63.3779 33.9260 172.1074 94 V 5.1427 7.7580 122.7245 57.8927 36.4575 172.9147 95 G 4.0228 8.6584 112.1482 46.5162 0.0000 174.4929 96 I 4.2635 8.4878 125.7719 61.0851 33.8659 176.4546 *97 Y 4.4113 8.0896 131.9228 57.9193 38.0100 176.7772 98 N 4.8928 8.6789 108.9320 54.6607 40.8903 171.4902 99 G 4.1381 8.7653 111.1981 46.5236 0.0000 177.2051 100 K 4.3167 8.6284 122.4392 52.4343 30.6867 177.6889 101 A 4.5876 7.3685 127.7461 48.8437 25.5147 176.7596 *102 F 3.8796 8.3121 116.3525 56.8647 36.3040 178.3882 103 N 4.5989 8.2091 121.8171 55.0456 38.7066 176.9072 104 Q 4.8879 8.4252 121.5534 55.8112 30.3875 177.4492 105 V 4.2561 7.7128 118.5217 60.9169 36.6183 173.2775 106 E 5.0247 9.1907 126.5678 55.5516 30.7178 174.6239 107 I 4.4606 7.7680 122.9133 60.4899 34.7633 177.5501 108 R 4.3777 7.7613 128.7492 57.1780 30.2825 179.8897 109 P 4.2926 0.0000 0.0000 65.3431 30.8702 175.3914 110 E 3.9249 8.5652 116.1951 59.6150 29.4795 181.9315 111 M 4.6835 7.9298 119.9306 53.2463 32.9237 177.3973 112 L 4.8029 8.2590 128.0333 53.3867 43.3478 177.1937 113 G 4.0935 8.2982 116.8422 47.8170 0.0000 178.1286 *114 H 4.7919 9.2602 134.5317 56.1299 30.7753 175.0746 *115 Y 4.3532 8.5260 118.5011 58.7962 39.0916 173.4247 116 L 3.3658 8.9386 118.2336 58.7276 41.1232 179.3126 117 G 3.8085 8.3643 106.3621 47.2906 0.0000 174.2606 118 E 4.3425 8.9924 121.1813 57.0797 31.1513 181.1237 *119 F 4.6981 7.2571 119.6694 56.2369 38.1023 181.4671 120 S 4.7898 8.0226 115.7443 60.0231 64.8468 177.1506 121 I 3.6019 6.9056 124.4264 58.3732 37.6961 177.1239 122 T 4.7063 8.4162 115.5772 61.3245 69.8175 175.0951 *123 Y 4.2471 7.8310 121.4654 58.6708 38.8537 180.2967 124 T 3.5690 7.8517 112.0555 59.6428 65.5468 173.2861 125 P 5.8500 0.0000 0.0000 63.2267 34.0035 177.8706 126 V 3.5730 7.8564 121.8581 63.5171 31.6600 179.7036 127 R 4.2439 7.8576 117.4533 56.7514 29.3862 181.7929 *128 H 4.0924 8.6394 113.8683 55.1403 28.3490 176.7545 129 G 3.5299 8.7816 110.6536 44.9274 0.0000 172.7061 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 9 K 8.41 4.33 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 10 R 8.80 4.54 0.00 1.90 1.81 0.00 3.40 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.26 0.00 11 V 9.23 4.67 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 0.60 0.00 0.00 0.93 0.00 0.00 *12 F 9.49 3.58 0.00 2.42 2.27 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 13 K 9.35 3.67 0.00 1.59 1.52 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.30 7.81 14 T 8.89 4.63 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 *15 H 8.01 4.80 0.00 2.90 2.84 0.00 7.27 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.17 3.88 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 *17 Y 8.76 4.36 0.00 2.23 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 18 R 8.04 4.34 0.00 1.76 1.60 0.00 3.25 0.00 0.00 3.23 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.00 19 G 8.43 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 20 V 8.11 3.97 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 0.73 0.00 0.00 0.93 0.00 0.00 21 D 7.81 4.88 0.00 2.67 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 22 L 8.43 3.78 0.00 1.70 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.03 3.93 0.00 1.98 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 0.00 2.24 1.90 0.00 24 K 8.56 4.62 0.00 1.77 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.00 7.81 25 L 7.51 4.80 0.00 1.56 0.75 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.21 4.09 0.00 1.65 1.64 0.92 0.73 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 27 E 7.61 4.05 0.00 2.03 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 2.26 2.13 0.00 28 M 9.25 3.89 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 29 S 8.67 3.77 0.00 3.82 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 30 T 8.44 4.20 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 31 E 7.94 4.70 0.00 1.94 1.80 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 2.12 1.83 0.00 32 D 8.12 4.38 0.00 2.54 2.53 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 0.00 0.00 0.00 0.00 *33 F 8.40 4.25 0.00 2.20 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 34 V 7.34 3.86 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 0.82 0.00 0.00 0.93 0.00 0.00 35 K 8.35 4.30 0.00 1.72 1.68 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.10 0.82 7.81 36 L 8.08 3.72 0.00 1.84 1.61 0.92 0.76 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 37 A 8.77 3.65 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 38 P 0.00 4.77 0.00 1.96 1.96 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.54 0.00 39 A 7.90 4.24 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 40 R 8.12 4.04 0.00 1.85 1.86 0.00 3.30 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 41 V 7.24 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 42 R 7.88 4.44 0.00 1.83 1.79 0.00 3.19 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 43 R 8.08 4.70 0.00 1.75 1.73 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 44 R 8.05 4.34 0.00 1.77 1.72 0.00 3.26 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 *45 F 8.49 4.16 0.00 2.29 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 0.00 0.00 0.00 46 A 7.88 4.64 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 47 R 7.84 4.31 0.00 1.80 1.65 0.00 3.29 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.00 48 G 9.98 3.95 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 0.00 49 M 7.92 4.25 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 50 T 8.53 4.42 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 51 S 8.80 4.27 0.00 3.57 3.43 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 52 K 10.32 4.09 0.00 1.95 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.99 7.81 53 P 0.00 5.25 0.00 2.02 0.88 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 54 A 8.37 4.79 1.15 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 55 G 8.56 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 0.00 0.00 0.00 *56 F 7.97 4.22 0.00 2.30 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 57 M 8.20 4.51 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.18 0.00 58 K 8.25 3.88 0.00 1.77 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.34 7.81 59 K 7.95 4.39 0.00 1.75 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 60 L 8.16 4.22 0.00 1.73 1.65 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.25 4.56 0.00 1.77 1.26 0.00 3.23 0.00 0.00 3.17 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 62 A 6.20 4.64 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 63 A 7.61 4.65 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 64 K 8.84 4.18 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.27 7.81 65 L 7.04 4.72 0.00 1.70 0.90 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.68 3.54 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 67 A 8.38 3.58 1.36 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 0.00 0.00 68 P 0.00 4.00 0.00 2.23 1.93 0.00 3.90 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 1.85 1.56 0.00 69 E 8.06 3.81 0.00 1.99 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 2.23 1.85 0.00 70 N 8.20 4.52 0.00 2.73 2.73 0.00 0.00 6.74 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 71 E 8.10 4.69 0.00 1.93 1.80 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 2.17 2.09 0.00 72 K 6.94 4.27 0.00 1.78 1.62 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.07 7.81 73 P 0.00 4.79 0.00 2.17 1.95 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 74 A 8.17 4.97 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 75 P 0.00 4.25 0.00 2.10 1.54 0.00 3.83 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 1.94 1.60 0.00 76 V 9.26 3.24 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 0.63 0.00 0.00 0.93 0.00 0.00 77 R 7.20 4.92 0.00 1.80 1.71 0.00 3.28 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 78 T 8.34 4.08 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 *79 H 8.97 3.97 0.00 2.92 2.95 0.00 7.26 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 M 8.36 4.94 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.88 0.00 81 R 8.32 4.22 0.00 1.82 1.87 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 1.21 0.00 82 N 8.08 4.52 0.00 2.73 2.75 0.00 0.00 6.65 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 83 M 8.36 4.19 0.00 1.68 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 84 I 8.77 4.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.10 0.91 0.00 0.00 85 I 8.69 3.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.08 0.91 0.00 0.00 86 V 7.73 2.57 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 0.85 0.00 0.00 0.93 0.00 0.00 87 P 0.00 4.88 0.00 1.97 2.00 0.00 3.69 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 1.93 1.55 0.00 88 E 8.31 4.38 0.00 1.98 1.87 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 2.23 1.87 0.00 89 M 8.17 4.24 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.09 0.00 90 I 7.76 3.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.91 0.00 0.00 91 G 8.12 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.89 4.77 0.00 3.37 3.56 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 93 V 8.47 5.18 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 1.12 0.00 0.00 0.93 0.00 0.00 94 V 7.76 5.14 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 0.84 0.00 0.00 0.93 0.00 0.00 95 G 8.66 4.02 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 0.00 0.00 0.00 96 I 8.49 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.91 0.00 0.00 *97 Y 8.09 4.41 0.00 2.09 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 0.00 0.00 0.00 98 N 8.68 4.89 0.00 2.68 2.63 0.00 0.00 6.79 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 99 G 8.77 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 0.00 100 K 8.63 4.32 0.00 1.78 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 0.99 7.81 101 A 7.37 4.59 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 *102 F 8.31 3.88 0.00 2.45 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 0.00 0.00 0.00 0.00 103 N 8.21 4.60 0.00 2.40 2.75 0.00 0.00 6.79 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 0.00 104 Q 8.43 4.89 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.70 0.00 0.00 0.00 0.00 0.00 2.21 1.92 0.00 105 V 7.71 4.26 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 0.53 0.00 0.00 0.93 0.00 0.00 106 E 9.19 5.02 0.00 1.75 1.77 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 2.23 1.73 0.00 107 I 7.77 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.91 0.00 0.00 108 R 7.76 4.38 0.00 1.50 1.85 0.00 3.22 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 109 P 0.00 4.29 0.00 1.85 2.00 0.00 3.75 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 1.94 1.60 0.00 110 E 8.57 3.92 0.00 1.97 1.94 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 2.24 1.92 0.00 111 M 7.93 4.68 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 112 L 8.26 4.80 0.00 1.65 1.56 0.92 0.83 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 0.00 113 G 8.30 4.09 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 *114 H 9.26 4.79 0.00 2.62 2.88 0.00 7.17 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 *115 Y 8.53 4.35 0.00 1.99 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 0.00 0.00 0.00 116 L 8.94 3.37 0.00 1.34 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.36 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 0.00 118 E 8.99 4.34 0.00 1.92 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 2.18 2.10 0.00 *119 F 7.26 4.70 0.00 2.34 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 0.00 0.00 0.00 120 S 8.02 4.79 0.00 3.56 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 0.00 121 I 6.91 3.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.07 0.91 0.00 0.00 122 T 8.42 4.71 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 *123 Y 7.83 4.25 0.00 2.31 2.15 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 0.00 124 T 7.85 3.57 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 0.00 125 P 0.00 5.85 0.00 2.10 2.11 0.00 3.73 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 1.79 1.30 0.00 126 V 7.86 3.57 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 0.86 0.00 0.00 0.93 0.00 0.00 127 R 7.86 4.24 0.00 2.03 1.88 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 *128 H 8.64 4.09 0.00 2.92 2.92 0.00 7.23 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.78 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.