NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7944 8.2827 118.1387 52.3780 38.9787 174.1286 2 L 3.9586 8.1097 118.3664 57.7192 41.6857 177.7136 3 K 3.8433 8.8678 120.4258 59.3333 32.4900 178.2909 4 Q 4.0897 8.4820 118.8848 58.6444 28.6172 178.1538 5 F 4.3979 8.2854 121.7903 61.2759 38.9679 177.2883 6 K 3.6943 8.0967 118.1405 59.6001 31.7920 179.1333 7 N 4.4903 8.0167 116.4694 56.3795 38.3696 177.4809 8 M 4.1503 8.3274 120.5613 58.2655 31.9925 178.6498 9 I 3.6373 7.7077 120.2561 64.4968 37.1581 178.2961 10 Q 4.2328 7.6623 115.4954 58.3781 28.9421 177.2516 11 C 4.4177 8.1625 121.0640 59.8732 43.6057 175.2413 12 A 4.3697 7.6476 122.1795 53.1817 18.3841 176.5147 13 G 4.2811 7.9222 104.6722 44.1285 0.0000 172.0638 14 T 4.0266 8.3244 111.6457 63.8940 67.8960 175.0127 *17 R 4.1564 7.8294 117.3857 56.2078 31.1506 175.0805 18 T 4.5717 7.7475 111.0456 59.8711 71.1050 175.4985 19 W 4.4971 8.8905 118.3276 59.9588 27.6945 178.1995 20 T 3.1994 6.4869 110.5628 64.0633 67.7742 176.0111 21 S 4.1227 7.2396 115.1151 59.8134 62.9526 174.6472 22 Y 4.6287 7.6425 119.6630 58.2076 38.5842 177.2545 23 I 3.6662 7.2894 120.9571 64.1773 37.7869 176.5288 24 G 4.2581 7.8875 107.2428 44.7160 0.0000 171.1582 25 Y 4.4492 7.8469 116.6969 56.5095 41.8562 176.1298 26 G 3.7822 7.6907 115.6912 47.0315 0.0000 172.5963 27 C 4.4572 9.4522 114.8577 57.9905 37.3983 174.4521 28 Y 4.6355 8.9509 115.4940 57.4182 39.0895 174.5832 29 C 4.5642 8.2560 119.0856 57.5939 41.0275 173.7412 30 G 4.0450 9.0239 110.0127 44.1478 0.0000 172.0516 31 Y 3.9803 8.8775 118.9296 59.2325 39.9396 178.5876 32 G 3.4415 6.6767 109.6616 45.8335 0.0000 173.8262 33 G 4.0032 7.9684 114.2734 44.2385 0.0000 171.5466 34 S 4.5441 6.9417 113.3384 58.3741 65.7324 174.1847 35 G 3.8217 8.7138 107.5623 44.9407 0.0000 172.0405 36 T 4.3807 8.1018 114.9686 61.2364 69.6654 173.1527 37 P 4.6661 0.0000 0.0000 62.8685 31.6951 177.0753 38 V 3.7747 8.8548 117.3312 64.1945 32.0443 175.1197 39 D 4.6136 7.6150 116.8454 51.3392 41.8041 174.6948 40 E 3.8814 9.0798 118.3785 59.7814 29.4138 178.7086 41 L 3.9358 7.9579 119.5800 58.4300 42.0486 178.2078 42 D 4.5385 9.2189 118.1151 57.5132 41.0991 178.1982 43 R 3.9010 8.5653 119.5988 59.4958 30.0291 177.8470 44 C 4.3707 8.5093 116.6675 60.4680 41.5019 175.5759 45 C 4.4866 8.5109 118.0806 59.9290 34.2490 175.4893 46 Y 3.9009 8.4266 121.6062 60.9941 38.2877 178.3604 47 T 3.6781 7.9439 116.5085 66.9091 68.5925 176.0093 48 H 3.8261 8.0987 120.0338 59.3231 29.8223 176.8658 49 D 4.2107 8.0975 120.5564 57.7817 40.6167 178.6345 50 H 4.0824 7.7260 116.4391 58.7231 28.6264 176.9677 51 C 4.3133 8.2481 120.6094 60.0766 43.2126 175.3660 52 Y 4.1635 7.8931 117.1545 61.0609 37.2619 177.8700 53 N 4.5035 8.1300 117.4119 56.4102 38.6023 177.6727 54 K 3.9801 8.4472 119.6187 59.1295 32.0943 179.1490 55 A 3.5497 8.1584 121.1457 55.0789 18.0301 179.4632 56 A 4.1491 7.4728 117.5290 54.8116 18.4665 178.6857 57 N 4.4806 7.9579 113.1891 53.1742 39.0030 174.7466 58 I 4.3270 6.8091 122.0534 58.3704 39.0907 173.9422 59 P 4.1561 0.0000 0.0000 64.3502 31.7608 176.3760 60 G 3.9596 8.5213 109.9060 46.9294 0.0000 173.9898 61 C 4.7228 8.0759 117.2685 54.2602 47.1252 172.2008 62 N 4.8770 8.4499 125.9116 50.7556 40.1601 172.7469 63 P 3.8541 0.0000 0.0000 65.3423 31.3542 177.3959 64 L 4.3023 8.0791 118.4939 55.5080 42.0296 177.8418 65 I 4.3171 7.5337 109.0127 60.1015 39.1454 175.5678 66 K 3.9205 8.0115 123.7084 56.7943 32.1852 175.8209 67 T 4.2940 8.4136 123.7689 62.3191 69.3010 173.7050 68 Y 4.8546 7.8597 124.7732 55.2463 40.9322 174.4458 69 S 5.1191 9.6694 116.1152 57.2081 64.7858 173.5251 70 Y 5.3728 8.3602 121.1186 56.4300 40.7728 173.5301 71 T 4.4629 9.0292 114.4181 60.3170 71.5002 171.6277 72 C 5.3921 8.6854 125.5047 55.1644 44.3058 174.3680 73 T 4.4262 8.7279 124.6398 61.4358 67.8296 171.9404 74 K 4.3278 7.5574 121.2727 55.4839 32.9002 173.4669 75 P 5.5455 0.0000 0.0000 62.1319 31.9010 174.2902 76 N 4.8297 8.6689 117.5912 52.7085 39.6474 173.8979 77 I 5.0693 8.2559 123.2673 59.8908 39.7865 175.0930 78 T 4.6558 8.9073 122.6684 61.9681 72.0162 172.2081 79 C 4.9717 8.8802 124.0457 56.2882 40.7314 173.4299 80 N 4.4530 8.9921 121.4559 54.5252 39.2675 175.9211 81 D 4.5798 8.1690 118.7441 54.6863 41.7216 175.1003 82 T 4.4607 8.4183 117.9270 65.5742 71.0906 175.8264 83 S 4.1530 8.1935 115.2431 61.5670 63.0918 175.2456 84 D 4.5674 7.8714 122.4212 53.4373 40.0420 176.1670 85 S 4.1335 8.4779 123.0212 61.4818 63.0423 176.7064 86 C 4.2263 8.2581 120.2185 59.5763 44.1728 175.2048 87 A 4.1176 8.5940 122.7126 55.3060 18.0359 179.7466 88 R 3.7961 8.2864 114.8725 59.3267 29.4169 178.7795 89 F 3.8963 8.5380 121.5768 61.1412 39.4095 177.2537 90 I 3.7098 8.0361 119.4702 64.4595 36.8439 177.6097 91 C 2.9657 7.9863 119.4972 59.1350 42.4880 175.2129 92 D 4.0318 7.7325 119.6736 57.2717 40.7966 177.2282 93 C 3.9007 7.6146 116.9525 60.2963 36.3609 175.9894 94 D 3.8183 8.0277 120.0400 57.2071 40.3831 178.8604 95 R 3.7927 8.0830 119.5292 59.6702 29.9593 178.5918 96 T 3.7112 8.0199 115.5261 66.5435 68.4396 176.4405 97 A 3.5328 7.7598 122.2188 54.8486 18.4475 179.3598 98 A 3.6048 8.2302 119.5545 55.4681 18.4593 180.0334 99 I 3.6779 7.8206 118.3066 64.3769 37.1638 177.7546 100 C 4.2227 8.2929 119.6481 59.7650 43.2566 175.4719 101 F 4.2743 8.3748 117.8919 60.8022 38.5791 177.1756 102 A 4.2444 7.7649 118.3878 55.4918 18.2784 179.5391 103 S 4.2674 8.1118 111.9006 59.9206 63.4205 175.0427 104 A 4.6837 7.7047 123.7247 50.1030 19.0216 175.4631 105 P 4.4215 0.0000 0.0000 62.7015 32.2211 175.5253 106 Y 4.2463 8.4624 121.5218 56.2019 39.0527 175.3269 107 N 4.7974 8.9306 127.6236 51.4958 38.1570 176.2074 108 I 3.4189 8.4000 118.5108 63.5870 37.7283 178.2979 109 N 4.3527 8.1393 117.4381 55.6122 38.6607 175.2265 110 N 4.5277 8.5938 115.4480 52.6689 38.7507 174.0574 111 I 3.8799 7.0400 120.0907 61.6313 38.1957 175.2195 112 M 3.0042 8.1019 125.4330 55.8198 28.6531 176.4930 113 I 4.5820 7.0669 109.7783 59.6837 40.0081 178.1135 114 S 3.7716 8.2546 115.3251 60.6859 62.5926 174.7123 115 A 4.4832 7.8697 121.5080 51.7205 19.7391 176.1445 116 S 4.6695 8.3312 113.0823 56.3055 65.3884 175.1303 117 T 3.8597 8.4737 109.8072 65.0520 68.2341 176.0955 118 S 4.0571 7.5496 116.7579 61.5147 62.8948 174.7027 119 C 4.7455 7.8802 114.3161 56.7899 40.1239 173.8024 120 Q 4.1757 8.0616 125.2783 56.2314 28.3331 175.7629 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 N 8.28 4.79 0.00 3.15 2.99 0.00 0.00 5.76 5.79 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 2 L 8.11 3.96 0.00 1.84 1.71 1.20 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.87 3.84 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 Q 8.48 4.09 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 5 F 8.29 4.40 0.00 3.35 3.27 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 6 K 8.10 3.69 0.00 1.72 1.43 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.53 1.20 7.81 7 N 8.02 4.49 0.00 3.04 3.02 0.00 0.00 7.06 8.84 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 8 M 8.33 4.15 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 9 I 7.71 3.64 2.06 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.13 1.18 0.00 0.00 10 Q 7.66 4.23 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 11 C 8.16 4.42 0.00 3.24 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.37 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 13 G 7.92 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 0.00 0.00 0.00 0.00 14 T 8.32 4.03 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 1.22 0.00 0.00 *17 R 7.83 4.16 0.00 1.84 1.52 0.00 2.79 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.45 0.00 18 T 7.75 4.57 4.31 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 1.21 0.00 0.00 19 W 8.89 4.50 0.00 3.72 3.34 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 20 T 6.49 3.20 3.73 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 -0.13 0.00 0.00 21 S 7.24 4.12 0.00 3.42 3.57 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 22 Y 7.64 4.63 0.00 3.20 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 23 I 7.29 3.67 2.03 0.00 0.00 0.64 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 0.53 0.97 0.00 0.00 24 G 7.89 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 0.00 0.00 0.00 0.00 25 Y 7.85 4.45 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.69 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.45 4.46 0.00 3.11 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 28 Y 8.95 4.64 0.00 3.29 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 29 C 8.26 4.56 0.00 3.45 3.31 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 30 G 9.02 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 0.00 0.00 0.00 31 Y 8.88 3.98 0.00 3.02 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 32 G 6.68 3.44 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 0.00 0.00 0.00 0.00 33 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.94 4.54 0.00 3.96 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 35 G 8.71 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 0.00 0.00 0.00 36 T 8.10 4.38 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 1.15 0.00 0.00 37 P 0.00 4.67 0.00 1.89 2.10 0.00 3.34 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.35 0.00 38 V 8.85 3.77 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 0.70 0.00 0.00 0.95 0.00 0.00 39 D 7.62 4.61 0.00 2.90 2.80 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 0.00 0.00 0.00 40 E 9.08 3.88 0.00 2.08 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 2.42 2.41 0.00 41 L 7.96 3.94 0.00 1.80 1.68 0.46 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.22 4.54 0.00 3.18 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 43 R 8.57 3.90 0.00 2.11 2.01 0.00 3.09 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 44 C 8.51 4.37 0.00 3.53 3.49 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 45 C 8.51 4.49 0.00 3.36 3.46 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 46 Y 8.43 3.90 0.00 2.70 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 47 T 7.94 3.68 4.38 0.00 0.00 0.00 0.00 0.00 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 48 H 8.10 3.83 0.00 3.01 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.10 4.21 0.00 2.85 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 50 H 7.73 4.08 0.00 3.11 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.25 4.31 0.00 3.01 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 52 Y 7.89 4.16 0.00 2.91 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 53 N 8.13 4.50 0.00 2.92 2.87 0.00 0.00 7.00 7.31 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 54 K 8.45 3.98 0.00 2.17 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.66 7.81 55 A 8.16 3.55 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 56 A 7.47 4.15 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 57 N 7.96 4.48 0.00 2.78 2.76 0.00 0.00 6.88 7.49 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 58 I 6.81 4.33 1.83 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.15 0.81 0.00 0.00 59 P 0.00 4.16 0.00 2.00 1.97 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 60 G 8.52 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 61 C 8.08 4.72 0.00 3.05 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 62 N 8.45 4.88 0.00 2.67 2.59 0.00 0.00 6.89 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 63 P 0.00 3.85 0.00 0.55 1.46 0.00 3.69 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 1.76 1.92 0.00 64 L 8.08 4.30 0.00 1.75 1.77 1.02 0.72 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 65 I 7.53 4.32 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.90 0.00 0.00 66 K 8.01 3.92 0.00 2.04 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 67 T 8.41 4.29 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 1.14 0.00 0.00 68 Y 7.86 4.85 0.00 3.22 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 69 S 9.67 5.12 0.00 3.95 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 70 Y 8.36 5.37 0.00 3.17 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 71 T 9.03 4.46 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 1.28 0.00 0.00 72 C 8.69 5.39 0.00 3.16 2.97 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 73 T 8.73 4.43 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 74 K 7.56 4.33 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.73 7.81 75 P 0.00 5.55 0.00 2.27 2.25 0.00 3.91 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 2.03 1.95 0.00 76 N 8.67 4.83 0.00 2.83 2.79 0.00 0.00 6.88 7.81 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 77 I 8.26 5.07 1.89 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 1.45 0.64 0.98 0.00 0.00 78 T 8.91 4.66 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 1.23 0.00 0.00 79 C 8.88 4.97 0.00 2.80 2.94 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 80 N 8.99 4.45 0.00 2.67 2.89 0.00 0.00 7.11 7.60 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 81 D 8.17 4.58 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 4.46 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 83 S 8.19 4.15 0.00 3.87 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 84 D 7.87 4.57 0.00 2.74 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 85 S 8.48 4.13 0.00 3.89 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 86 C 8.26 4.23 0.00 2.97 3.26 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 87 A 8.59 4.12 1.57 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 0.00 0.00 88 R 8.29 3.80 0.00 2.03 2.30 0.00 2.95 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 89 F 8.54 3.90 0.00 3.24 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 90 I 8.04 3.71 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 1.05 0.00 0.00 91 C 7.99 2.97 0.00 2.15 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 92 D 7.73 4.03 0.00 2.74 2.47 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 93 C 7.61 3.90 0.00 3.14 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 94 D 8.03 3.82 0.00 2.57 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 95 R 8.08 3.79 0.00 1.76 1.81 0.00 3.05 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 96 T 8.02 3.71 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 1.11 0.00 0.00 97 A 7.76 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.23 3.60 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 99 I 7.82 3.68 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 0.90 0.00 0.00 100 C 8.29 4.22 0.00 3.13 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 0.00 101 F 8.37 4.27 0.00 2.86 2.69 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 0.00 102 A 7.76 4.24 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 0.00 0.00 0.00 0.00 0.00 103 S 8.11 4.27 0.00 3.91 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 0.00 104 A 7.70 4.68 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 0.00 105 P 0.00 4.42 0.00 2.25 2.11 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 106 Y 8.46 4.25 0.00 2.89 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 0.00 107 N 8.93 4.80 0.00 2.84 2.97 0.00 0.00 6.38 7.94 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 0.00 108 I 8.40 3.42 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 1.11 0.00 0.00 109 N 8.14 4.35 0.00 2.66 2.89 0.00 0.00 6.85 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 0.00 110 N 8.59 4.53 0.00 2.22 2.25 0.00 0.00 6.82 5.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.04 3.88 1.81 0.00 0.00 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 1.26 0.48 0.94 0.00 0.00 112 M 8.10 3.00 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 113 I 7.07 4.58 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.78 0.00 0.00 114 S 8.25 3.77 0.00 3.95 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 0.00 115 A 7.87 4.48 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 0.00 0.00 0.00 0.00 0.00 116 S 8.33 4.67 0.00 3.94 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 0.00 117 T 8.47 3.86 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 1.20 0.00 0.00 118 S 7.55 4.06 0.00 3.85 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 0.00 119 C 7.88 4.75 0.00 3.09 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 0.00 120 Q 8.06 4.18 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.