NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5055 8.3349 117.0979 57.8701 64.0886 171.9868 -1 N 4.7912 7.8724 113.3822 53.5993 41.7377 174.7241 0 A 3.5037 7.8307 129.2016 50.7060 18.0601 177.1577 0 V 3.3037 7.6207 124.6016 60.4060 31.8601 175.6577 3 A 4.8929 8.8368 128.7936 50.1878 22.6054 175.0461 4 K 4.7851 9.1294 119.3733 55.2003 33.3485 176.2095 5 Q 4.7913 9.4991 127.8003 54.6406 31.1357 174.4294 6 L 4.8009 8.8309 126.6643 54.5466 43.4815 175.9170 7 S 5.1208 9.4119 120.2803 57.0266 65.5563 173.0209 8 I 4.9463 8.8031 126.9742 59.0266 39.4234 175.0360 9 F 4.6499 9.0811 130.5807 58.6425 40.1037 174.3604 10 L 4.5727 9.0021 127.7724 53.3277 43.0097 177.1824 11 E 3.6662 8.7537 123.4185 55.3877 30.6608 177.1324 12 N 4.1421 6.9823 112.9902 53.6823 40.9244 173.9693 13 K 4.2645 8.4884 114.9366 56.6978 33.6084 176.0832 14 S 4.3756 8.3455 113.4218 57.4992 62.6473 176.0312 15 G 3.7418 8.3917 112.6355 46.4499 0.0000 175.5921 16 R 3.8612 7.5247 124.5178 58.7879 30.7419 177.4573 17 L 3.9245 7.9916 119.9156 58.4760 42.1215 178.8844 18 T 3.8521 7.9358 115.2149 66.5156 68.3774 176.0143 19 E 3.9347 7.9213 120.5047 59.2328 29.6962 178.6388 20 V 3.0391 7.7017 118.5318 66.3651 31.3698 178.1139 21 T 3.8087 7.6052 108.6549 64.8768 68.5284 176.2293 22 E 3.9172 8.4564 121.7191 58.8956 28.9684 179.3383 23 V 3.5653 8.1227 118.7127 66.1854 31.5607 178.1649 24 L 3.9972 8.0086 118.3840 57.7072 41.3346 179.4176 25 A 3.9678 8.2379 120.9754 54.9221 18.0975 179.5555 26 K 3.9364 7.9679 117.1048 58.7306 32.2989 177.8268 27 E 4.3819 7.4506 115.6521 54.9732 29.8301 175.0904 28 N 4.1423 8.1027 116.6766 54.6136 38.0369 173.4148 29 I 4.4008 7.7324 116.8224 59.3643 38.8322 175.4305 30 N 4.7202 8.9381 126.2610 52.8324 40.6390 173.5866 31 L 4.6652 8.3587 124.8964 54.3065 42.2358 176.6017 32 S 4.6325 9.3661 120.2360 60.4327 64.2939 174.6336 33 A 4.8570 7.8069 118.7359 50.9857 22.2547 175.2887 34 L 5.0589 8.3807 119.8941 55.1309 43.8714 174.4300 35 C 4.6245 8.6722 113.0838 57.2813 33.2008 172.5949 36 I 4.7800 8.2380 121.5122 59.6512 38.9974 174.8066 37 A 4.5728 8.7689 129.9868 50.6210 19.9406 175.7085 38 E 5.1586 8.7267 119.7536 55.1059 32.9539 174.7641 39 N 5.0047 8.2675 117.2445 50.6868 40.1800 174.0403 40 A 4.0293 8.4341 119.5920 54.8666 18.6945 178.2857 41 D 4.6409 8.5219 115.2396 55.7745 42.1068 176.1271 42 F 4.8770 6.8341 111.6297 55.7714 41.7910 173.0041 43 G 4.5552 8.8598 105.1181 44.4576 0.0000 171.9580 44 I 5.1354 8.4022 120.9927 59.1878 39.8292 174.8601 45 L 4.5421 8.8553 130.6799 54.5769 43.3488 175.4157 46 R 5.0905 9.0542 126.3285 54.5400 32.3641 175.5787 47 G 4.4265 9.2084 110.8181 44.5326 0.0000 171.0735 48 I 4.9454 9.0681 125.0041 59.7416 39.0903 175.3965 49 V 5.0136 8.2188 119.2479 59.1084 34.9354 176.0014 50 S 4.6962 8.5198 116.5591 60.7614 63.7511 174.1938 51 D 4.3127 7.7733 119.6116 50.6567 41.8906 173.1708 52 P 4.1868 0.0000 0.0000 65.6457 31.4956 178.1296 53 D 4.3281 8.0265 118.2654 56.9657 40.8634 178.4262 54 K 4.0160 8.1929 119.8658 59.1633 32.0782 178.9280 55 A 3.9380 8.2060 121.3158 55.1315 18.3561 178.5578 56 Y 4.0314 8.1677 118.3955 60.9681 38.7065 178.5485 57 K 3.8307 8.1384 119.4682 59.5715 32.2462 178.5367 58 A 3.9841 8.0252 120.9531 55.1781 18.2652 179.6724 59 L 4.0535 8.1601 117.6967 57.8253 41.6854 179.7714 60 K 3.8769 8.3740 118.7846 59.5729 31.7052 179.1226 61 D 4.3337 8.2244 118.4899 56.8455 40.6892 177.5131 62 N 4.6386 7.6020 114.9949 52.4926 38.8188 174.5447 63 H 4.0486 7.7848 116.0342 56.9095 26.7629 174.9922 64 F 4.4279 8.0517 116.6132 56.8769 40.3447 175.6434 65 A 4.4815 8.7279 123.8280 51.3568 19.7778 176.5213 66 V 4.9938 8.4266 121.9921 61.5018 34.6636 174.3089 67 N 5.3754 9.6175 124.3787 51.6138 42.6094 173.1145 68 I 5.0442 8.3272 120.7908 60.0645 39.6107 175.3721 69 T 4.7737 8.9048 122.5585 61.6332 72.3154 173.0669 70 D 5.0664 8.8044 125.7634 54.6245 41.7231 175.9305 71 V 4.7739 8.7484 115.5618 59.7726 37.1510 174.2932 72 V 4.5752 8.8495 120.9419 59.9869 34.4598 174.8494 73 G 4.4074 8.5853 111.1493 44.9462 0.0000 172.4513 74 I 5.1553 8.7242 117.0232 59.0303 41.4972 174.0140 75 S 5.4956 8.8214 118.0775 57.0257 64.7080 172.7649 76 C 4.8935 8.6792 118.4723 55.8262 33.3769 171.3413 77 P 4.5207 0.0000 0.0000 63.1426 31.3924 176.8994 78 N 4.7775 8.4189 123.8907 52.4807 36.5606 174.5427 79 V 4.5625 7.2986 114.0102 58.3809 36.4849 173.6264 80 P 4.3742 0.0000 0.0000 64.4812 31.8686 176.9879 81 G 3.9321 8.9174 110.1070 45.7580 0.0000 175.5651 82 A 3.8952 7.9454 121.6898 55.2364 18.3285 179.3836 83 L 3.8572 7.8823 118.1416 58.2284 42.1501 178.6689 84 A 3.9195 7.9796 120.2438 55.0138 18.1969 179.4388 85 K 3.5164 7.7586 117.5295 59.3847 32.1516 179.1617 86 V 3.6075 7.2739 118.5862 66.1884 31.4756 177.9707 87 L 4.1074 8.2291 119.0929 57.7547 41.4214 179.8304 88 G 3.5798 8.1645 105.8366 47.5769 0.0000 175.6365 89 F 4.5283 7.4948 119.7027 60.6072 38.9755 177.8711 90 L 4.1754 7.8496 118.6539 57.9099 41.7079 179.7299 91 S 4.5078 8.6839 114.0651 60.9953 62.7986 176.1083 92 A 4.1990 8.0988 123.6765 54.0082 18.1127 178.2796 93 E 4.5603 7.5786 114.4799 55.2181 30.1170 175.9804 94 G 3.8378 7.7282 105.9416 46.6447 0.0000 174.4691 95 V 4.0273 8.1255 120.7622 61.1004 32.3329 175.4279 96 F 4.8820 8.3344 127.3177 57.3534 40.4716 174.8094 97 I 4.4443 8.2893 123.3487 60.4678 37.7505 175.5061 98 E 4.3308 9.1828 128.2720 59.2749 29.9236 176.1826 99 Y 4.8809 7.0178 114.8872 56.2590 41.5764 172.5107 *101 Y 4.8128 8.3531 115.9278 57.4368 39.0726 173.7631 102 S 5.4975 8.1905 114.3356 58.4231 65.8336 173.4212 103 F 4.8844 8.6783 118.3231 55.6273 43.6320 173.6404 104 A 4.2762 8.7788 123.6180 52.0509 19.0713 177.8887 105 N 4.8842 9.3942 120.0703 51.7164 39.8754 175.7382 106 N 4.3715 8.6480 119.6563 53.6096 37.7146 174.6430 107 N 4.7041 8.8691 125.1286 54.2573 40.8298 174.9767 108 V 5.0151 7.5431 110.6202 59.3266 35.8815 174.3477 109 A 5.1567 9.0860 124.0751 50.5025 21.8074 175.4318 110 N 5.3669 8.5904 118.6752 51.5322 41.3405 174.1895 111 V 4.7252 8.6053 122.8571 61.0692 34.8977 174.0505 112 V 4.4362 8.7696 128.5459 61.4209 32.5953 174.9113 113 I 4.4233 8.6650 128.7535 59.3687 40.6670 174.6686 114 R 4.5678 8.5495 127.1673 53.8519 31.5003 173.2232 115 P 5.1202 0.0000 0.0000 61.6301 32.6157 176.4269 116 S 4.4352 9.2836 115.7100 60.7724 63.6981 173.3941 117 N 4.9044 7.7382 117.1141 51.8602 42.6861 174.0890 *119 D 4.5083 8.5551 118.1879 54.2603 42.8834 178.3680 120 K 3.9149 8.3770 119.5095 59.2956 32.0609 178.0988 121 C 3.9195 8.1950 119.2829 62.8014 31.3242 175.8511 122 I 3.6619 7.6470 120.4125 64.3408 36.7701 177.8118 123 E 3.9049 8.0068 119.4483 59.7431 29.3434 179.8990 124 V 3.5519 7.7395 117.8358 65.8448 31.5862 178.0224 125 L 3.9679 8.0729 118.8551 57.6612 41.5240 179.6190 126 K 3.8929 8.2371 118.6175 59.4400 31.8040 178.9839 127 E 3.8644 7.8052 118.0518 58.9534 29.6790 178.1288 128 K 3.9361 7.6352 114.9538 55.2984 32.1563 176.8813 129 K 3.8406 7.5754 117.3134 57.1569 29.9115 176.2095 130 V 3.7411 7.5602 118.3088 63.0574 32.4119 175.7502 131 D 4.5696 8.7069 126.3003 53.9686 41.2929 174.6934 132 L 4.6443 8.2663 125.8102 54.2511 42.7149 176.6553 133 L 4.4725 9.0434 124.1856 53.4170 42.8995 176.9839 134 A 3.9899 8.5211 125.5237 51.8595 19.3749 178.1337 135 A 3.5765 8.6385 123.3630 55.4070 17.8880 180.6613 136 S 4.1351 7.6931 111.7737 61.3985 63.0133 176.2818 137 D 4.3308 7.7562 121.5820 56.8906 40.4830 177.8960 138 L 4.0671 7.6289 121.1000 58.3749 42.1848 178.6329 139 Y 4.5677 8.0602 116.9933 60.3764 37.5200 177.7160 140 K 4.5518 7.4252 116.4283 55.7460 32.5713 176.5185 141 L 4.1490 7.4465 124.2113 55.4396 41.6974 177.0360 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 8.33 4.51 0.00 3.65 3.77 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 0.00 0.00 0.00 -1 N 7.87 4.79 0.00 2.69 2.69 0.00 0.00 6.78 6.46 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 A 7.83 3.50 1.23 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 0.00 0.00 0 V 7.62 3.30 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 0.70 0.00 0.00 0.93 0.00 0.00 3 A 8.84 4.89 1.18 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 0.00 0.00 4 K 9.13 4.79 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 5 Q 9.50 4.79 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 6 L 8.83 4.80 0.00 1.68 1.62 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 S 9.41 5.12 0.00 3.79 3.83 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 8 I 8.80 4.95 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.86 0.00 0.00 9 F 9.08 4.65 0.00 2.93 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 10 L 9.00 4.57 0.00 1.61 1.52 0.90 0.74 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 11 E 8.75 3.67 0.00 1.74 1.67 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 0.00 1.56 1.99 0.00 12 N 6.98 4.14 0.00 2.91 3.09 0.00 0.00 5.99 7.13 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 13 K 8.49 4.26 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 S 8.35 4.38 0.00 3.95 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 15 G 8.39 3.74 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 16 R 7.52 3.86 0.00 2.03 2.05 0.00 3.44 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 17 L 7.99 3.92 0.00 1.73 1.64 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.94 3.85 4.40 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 0.00 0.00 0.00 1.25 0.00 0.00 19 E 7.92 3.93 0.00 2.25 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 2.65 2.45 0.00 20 V 7.70 3.04 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 0.73 0.00 0.00 0.35 0.00 0.00 21 T 7.61 3.81 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 1.20 0.00 0.00 22 E 8.46 3.92 0.00 2.19 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 0.00 2.33 2.47 0.00 23 V 8.12 3.57 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 1.02 0.00 0.00 1.10 0.00 0.00 24 L 8.01 4.00 0.00 1.68 1.66 0.85 0.54 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 25 A 8.24 3.97 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 26 K 7.97 3.94 0.00 1.90 2.05 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 E 7.45 4.38 0.00 2.14 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 2.46 2.43 0.00 28 N 8.10 4.14 0.00 2.81 2.85 0.00 0.00 7.03 8.42 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 29 I 7.73 4.40 1.98 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 1.09 0.88 0.87 0.00 0.00 30 N 8.94 4.72 0.00 2.85 2.67 0.00 0.00 6.76 6.22 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 31 L 8.36 4.67 0.00 1.55 1.58 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.37 4.63 0.00 3.87 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 33 A 7.81 4.86 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 34 L 8.38 5.06 0.00 1.59 1.57 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.67 4.62 0.00 2.78 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 36 I 8.24 4.78 1.82 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 1.22 0.58 0.88 0.00 0.00 37 A 8.77 4.57 1.13 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 38 E 8.73 5.16 0.00 1.88 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 2.09 2.16 0.00 39 N 8.27 5.00 0.00 2.60 2.68 0.00 0.00 6.90 6.82 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 40 A 8.43 4.03 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 41 D 8.52 4.64 0.00 2.36 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 42 F 6.83 4.88 0.00 3.33 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 43 G 8.86 4.56 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 0.00 0.00 0.00 44 I 8.40 5.14 1.97 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.96 0.00 0.00 45 L 8.86 4.54 0.00 1.72 1.49 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 R 9.05 5.09 0.00 1.57 1.77 0.00 2.73 0.00 0.00 2.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 47 G 9.21 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 0.00 0.00 0.00 0.00 48 I 9.07 4.95 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 1.15 0.00 0.00 49 V 8.22 5.01 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 0.73 0.00 0.00 0.85 0.00 0.00 50 S 8.52 4.70 0.00 3.92 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 51 D 7.77 4.31 0.00 2.58 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 52 P 0.00 4.19 0.00 2.21 2.08 0.00 3.28 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.51 0.00 53 D 8.03 4.33 0.00 2.70 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 54 K 8.19 4.02 0.00 1.79 2.08 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 55 A 8.21 3.94 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 56 Y 8.17 4.03 0.00 3.19 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 57 K 8.14 3.83 0.00 2.00 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 58 A 8.03 3.98 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 59 L 8.16 4.05 0.00 1.60 1.70 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.37 3.88 0.00 1.57 1.68 0.00 1.68 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.68 0.55 7.81 61 D 8.22 4.33 0.00 2.78 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 62 N 7.60 4.64 0.00 3.00 2.97 0.00 0.00 7.05 8.01 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 63 H 7.78 4.05 0.00 3.14 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.05 4.43 0.00 3.10 3.02 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 65 A 8.73 4.48 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 66 V 8.43 4.99 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 1.02 0.00 0.00 0.88 0.00 0.00 67 N 9.62 5.38 0.00 2.68 2.73 0.00 0.00 6.54 7.33 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 68 I 8.33 5.04 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.91 0.00 0.00 69 T 8.90 4.77 4.40 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 0.00 0.00 0.00 1.33 0.00 0.00 70 D 8.80 5.07 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.77 2.13 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 0.85 0.00 0.00 1.04 0.00 0.00 72 V 8.85 4.58 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 0.91 0.00 0.00 0.89 0.00 0.00 73 G 8.59 4.41 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 0.00 74 I 8.72 5.16 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.90 0.00 0.00 75 S 8.82 5.50 0.00 3.97 3.77 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 0.00 0.00 0.00 76 C 8.68 4.89 0.00 3.02 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 77 P 0.00 4.52 0.00 1.96 2.06 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 78 N 8.42 4.78 0.00 2.80 2.84 0.00 0.00 6.94 7.18 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 79 V 7.30 4.56 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 0.88 0.00 0.00 0.93 0.00 0.00 80 P 0.00 4.37 0.00 2.02 1.98 0.00 3.66 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 2.02 2.09 0.00 81 G 8.92 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 0.00 0.00 0.00 82 A 7.95 3.90 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 83 L 7.88 3.86 0.00 1.75 1.65 0.91 1.18 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 84 A 7.98 3.92 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 85 K 7.76 3.52 0.00 1.80 1.84 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.12 0.99 7.81 86 V 7.27 3.61 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 1.04 0.00 0.00 0.99 0.00 0.00 87 L 8.23 4.11 0.00 1.66 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.16 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.49 4.53 0.00 3.25 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 90 L 7.85 4.18 0.00 1.83 1.90 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.68 4.51 0.00 4.06 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 0.00 92 A 8.10 4.20 1.45 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 0.00 0.00 93 E 7.58 4.56 0.00 2.04 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 0.00 2.41 2.46 0.00 94 G 7.73 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 0.00 0.00 0.00 95 V 8.13 4.03 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 0.80 0.00 0.00 0.89 0.00 0.00 96 F 8.33 4.88 0.00 2.99 2.74 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 97 I 8.29 4.44 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.97 0.00 0.00 98 E 9.18 4.33 0.00 1.83 2.14 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 2.43 2.42 0.00 99 Y 7.02 4.88 0.00 3.14 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 *101 Y 8.35 4.81 0.00 3.24 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 0.00 102 S 8.19 5.50 0.00 3.94 3.85 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 0.00 103 F 8.68 4.88 0.00 3.01 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 0.00 104 A 8.78 4.28 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 0.00 105 N 9.39 4.88 0.00 2.75 2.74 0.00 0.00 6.73 7.18 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 0.00 106 N 8.65 4.37 0.00 2.89 2.70 0.00 0.00 7.18 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 0.00 107 N 8.87 4.70 0.00 2.79 2.86 0.00 0.00 6.60 7.68 0.00 0.00 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 V 7.54 5.02 2.10 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 0.81 0.00 0.00 0.95 0.00 0.00 109 A 9.09 5.16 1.23 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 0.00 0.00 110 N 8.59 5.37 0.00 2.71 2.73 0.00 0.00 6.28 8.43 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 0.00 111 V 8.61 4.73 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 0.99 0.00 0.00 0.93 0.00 0.00 112 V 8.77 4.44 0.75 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 0.52 0.00 0.00 0.74 0.00 0.00 113 I 8.66 4.42 1.80 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 1.06 0.59 0.85 0.00 0.00 114 R 8.55 4.57 0.00 0.79 0.66 0.00 2.90 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 115 P 0.00 5.12 0.00 2.09 2.01 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 116 S 9.28 4.44 0.00 3.89 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 0.00 117 N 7.74 4.90 0.00 2.60 2.58 0.00 0.00 7.21 8.49 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 *119 D 8.56 4.51 0.00 3.02 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 0.00 120 K 8.38 3.91 0.00 1.82 1.74 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.44 7.81 121 C 8.20 3.92 0.00 3.10 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 0.00 122 I 7.65 3.66 1.85 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 1.61 0.77 0.88 0.00 0.00 123 E 8.01 3.90 0.00 2.18 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 2.31 2.51 0.00 124 V 7.74 3.55 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 1.08 0.00 0.00 0.93 0.00 0.00 125 L 8.07 3.97 0.00 1.85 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.24 3.89 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.63 7.81 127 E 7.81 3.86 0.00 2.13 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 2.44 0.00 128 K 7.64 3.94 0.00 1.29 0.74 0.00 1.19 0.00 0.00 1.35 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 0.60 7.81 129 K 7.58 3.84 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.28 7.81 130 V 7.56 3.74 2.19 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 0.74 0.00 0.00 1.08 0.00 0.00 131 D 8.71 4.57 0.00 2.85 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 0.00 132 L 8.27 4.64 0.00 1.55 1.54 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.04 4.47 0.00 1.48 1.52 0.89 -0.34 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 0.00 134 A 8.52 3.99 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 0.00 135 A 8.64 3.58 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 136 S 7.69 4.14 0.00 4.08 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 0.00 137 D 7.76 4.33 0.00 2.74 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 0.00 138 L 7.63 4.07 0.00 1.59 1.55 0.90 0.93 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 0.00 139 Y 8.06 4.57 0.00 3.13 3.08 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 0.00 0.00 0.00 0.00 140 K 7.43 4.55 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.76 7.81 141 L 7.45 4.15 0.00 1.69 1.64 1.00 0.85 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 * Residues marked with a * may have inaccurate shift predictions.