NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6271 8.1476 118.3325 55.2685 33.3480 173.2957 2 K 4.8823 8.2862 116.9122 53.8178 35.6701 170.9708 3 V 3.5431 8.9119 122.8282 63.7223 33.1721 176.6541 4 G 4.3024 8.3141 113.2060 45.3561 0.0000 171.4572 5 Q 4.3256 8.7713 120.2029 58.2167 29.2741 176.6434 6 D 4.5579 9.2235 123.1037 54.9261 39.1454 173.1847 7 K 4.8346 7.6110 118.4351 55.0487 34.8252 175.7312 8 V 4.2924 8.6106 124.2275 61.6787 33.0560 174.6161 9 V 4.6691 8.0366 128.5656 61.3820 34.0716 174.2699 10 T 5.2708 8.9684 125.0290 61.9087 70.6587 173.4120 11 I 5.1130 8.9490 120.3534 59.0114 41.3211 174.3633 12 R 5.2519 8.9206 124.6413 54.8790 32.3103 174.2436 13 Y 5.4851 8.6140 123.6622 55.6344 42.2586 174.1784 14 T 4.8488 9.0316 116.8643 61.6798 72.1858 172.7626 15 L 4.7824 9.0802 127.5307 53.2945 44.6963 175.0228 16 Q 5.0458 9.0505 124.9853 54.0176 32.6886 174.5387 17 V 4.4357 8.6558 122.7368 61.8273 34.8429 175.1685 18 E 3.9218 10.1661 124.8242 57.1947 27.1376 176.0220 19 G 3.9910 8.6261 106.5005 44.9999 0.0000 173.8901 20 E 4.6906 8.2989 120.1935 54.0775 31.9071 175.6147 21 V 4.3209 8.2230 122.5529 61.5489 32.4095 175.7260 22 L 4.6114 8.2487 122.9874 55.4791 43.7367 175.8042 23 D 4.6610 7.7929 115.8265 54.0009 44.5153 174.0353 24 Q 4.2641 7.8913 119.3829 55.2942 31.4237 174.3401 25 G 3.5831 5.8566 104.9143 45.2135 0.0000 170.8411 26 E 5.4422 8.2688 120.2093 54.5564 32.8741 175.3212 27 L 5.0784 9.2074 123.2022 54.2575 44.8366 175.2012 28 S 5.4505 8.7500 114.8898 57.0105 65.8993 173.1645 29 Y 4.9235 8.6824 121.1727 55.1634 42.0411 173.7084 30 L 4.5373 8.4576 122.5668 54.1883 43.1104 175.3532 31 H 4.5123 8.9182 127.8246 56.6951 31.1206 175.7920 32 G 4.2087 10.2625 114.0770 46.2258 0.0000 173.2280 33 H 4.7989 7.6845 112.3414 54.5621 30.3092 173.4404 34 R 3.8683 8.0578 116.0173 57.5528 27.1678 177.1455 35 N 4.5926 8.3789 115.9202 54.3580 39.3861 175.5623 36 L 4.5665 7.0430 116.0910 52.0103 44.4412 176.7487 37 I 3.5317 7.7744 114.3236 60.6606 38.8787 174.7897 38 P 4.2341 0.0000 0.0000 66.0144 31.2491 179.0258 39 G 3.6059 8.3028 104.4890 47.6431 0.0000 175.5129 40 L 3.7755 7.5972 122.1312 57.8271 42.2753 178.3978 41 E 3.8747 7.7960 118.8346 59.1394 29.2645 178.4072 42 E 3.8801 8.0585 118.2229 59.3415 29.8561 178.5201 43 A 4.0486 7.7897 119.2596 54.8530 18.6413 179.0909 44 L 4.1710 7.9470 117.5244 55.7814 41.7966 176.9046 45 E 3.9344 7.2906 119.2281 58.0655 29.7269 177.0416 46 G 4.0123 8.6612 114.9323 45.4516 0.0000 174.1248 47 R 4.0686 7.7047 119.4778 56.4437 30.7778 176.0731 48 E 4.4179 9.5186 122.2956 55.2925 30.6417 176.0342 49 E 4.0701 8.5026 123.0589 58.2918 29.9461 178.0662 50 G 4.1212 9.1467 114.8841 44.9524 0.0000 173.4381 51 E 4.4234 8.2631 120.0049 56.1094 30.7726 175.6488 52 A 5.4774 8.3868 124.6887 50.3961 21.8551 175.3151 53 F 4.8701 8.4318 114.1641 56.2684 41.5198 173.3182 54 Q 5.0503 8.8948 118.8722 55.2370 30.6940 175.2690 55 A 4.7579 9.1210 123.3041 51.0180 22.7323 174.5990 56 H 5.1890 9.1244 123.6402 55.1832 31.2793 174.7077 57 V 4.3755 8.8324 125.7561 59.1634 33.6051 173.8811 58 P 4.7414 0.0000 0.0000 61.7867 32.2473 177.3722 59 A 4.0896 9.0390 123.6509 55.7001 18.2923 180.0295 60 E 4.1491 8.1780 113.3456 58.3643 29.8373 177.5957 61 K 4.5779 8.5954 117.2223 55.5268 34.7385 176.2393 62 A 4.1842 8.3127 120.2855 52.5313 19.3353 176.9965 63 Y 4.2903 9.2947 113.1798 56.3976 39.2421 176.6882 64 G 4.0308 8.2097 109.1490 43.9802 0.0000 171.8565 65 P 4.5974 0.0000 0.0000 62.5669 31.8253 175.7571 66 H 4.4735 8.5437 119.6197 55.0896 29.7045 174.5779 67 D 4.4832 9.1382 128.9784 53.1869 40.9706 175.1079 68 P 4.5772 0.0000 0.0000 64.9614 31.4545 177.8546 69 E 4.1725 8.6061 119.8399 58.3821 29.8567 177.5253 70 G 3.9629 8.5514 107.4559 46.8463 0.0000 172.8434 71 V 4.4842 7.2085 119.7667 61.9389 32.2383 175.2083 72 Q 4.6521 8.8098 125.7727 54.3591 33.9158 173.9533 73 V 4.6461 8.3548 120.9664 61.9475 32.6911 175.3577 74 V 4.5788 8.9340 121.7998 58.6672 34.8957 174.0616 75 P 4.8314 0.0000 0.0000 62.3473 31.6935 177.6485 76 L 4.1263 9.0936 124.1529 58.0947 42.1972 179.2205 77 S 4.1830 8.0768 111.6916 60.4764 62.5504 174.6442 78 A 4.1242 7.8005 122.3143 54.0943 18.5017 177.7715 79 F 4.2415 7.6900 114.6158 56.0042 39.6638 174.2822 80 P 4.2441 0.0000 0.0000 65.2018 31.2436 174.4688 *87 P 4.6973 0.0000 0.0000 63.1377 32.2445 177.4405 88 G 3.8621 8.7555 105.6679 45.7618 0.0000 173.7180 89 A 4.0101 7.6236 123.3573 52.1846 19.3678 176.6298 90 Q 4.7639 8.5048 122.4167 54.6235 30.3293 175.1989 91 F 4.4702 9.2476 124.2070 55.2289 41.2183 176.4362 92 Y 4.6107 8.1134 125.1073 56.8609 34.9511 175.8202 93 A 4.3295 7.7858 124.1462 51.2967 20.0510 177.4244 94 Q 4.2132 8.5219 119.6856 55.9485 29.1298 176.1664 95 D 4.5101 8.4932 121.0962 54.5280 41.8711 175.9177 96 M 4.3027 8.3663 121.6725 56.9962 32.3136 177.2398 97 E 4.5851 9.0862 112.7716 54.5535 31.4689 174.6957 98 G 4.1416 8.9440 107.3405 45.0158 0.0000 170.7459 99 N 4.1299 8.2147 121.2441 51.8319 34.6986 172.2760 100 P 4.3717 0.0000 0.0000 63.2444 32.3150 176.1808 101 M 4.7296 7.8797 120.2659 52.7415 34.5622 173.6763 102 P 4.5707 0.0000 0.0000 63.0194 32.0714 176.2967 103 L 4.9470 9.0648 125.6533 54.8059 43.4316 175.6676 104 T 5.7497 8.3890 115.8226 60.9097 72.5642 173.4420 105 V 4.1340 8.5705 126.5878 62.9012 32.3561 176.3164 106 V 4.1138 8.3511 126.9610 64.4429 33.0127 175.3919 107 A 4.6210 7.5457 119.0478 51.2220 22.6630 175.9394 108 V 4.4476 8.1175 118.7942 61.5315 34.0330 174.1244 109 E 4.4520 8.4234 128.1389 55.0241 31.4131 176.4729 110 G 3.9687 8.2454 119.3479 46.5189 0.0000 174.0449 111 E 4.1259 8.8434 126.6353 58.4767 30.8851 174.9567 112 E 4.4518 8.1408 120.8966 56.0220 31.1634 175.8327 113 V 4.7717 8.7037 125.5117 61.4957 35.5372 173.9353 114 T 4.8647 9.1670 124.6182 62.3815 70.1359 174.3324 115 V 4.8421 9.1260 119.7414 59.4746 36.0731 174.2764 116 D 4.7764 8.1532 120.9550 52.9483 43.5902 175.9512 117 F 4.6390 8.6976 125.0137 59.3598 39.8174 176.4111 118 N 4.4034 8.3758 115.6762 53.3113 39.2429 174.1564 119 H 4.3147 8.6203 119.2109 55.5121 30.7798 174.2611 120 P 4.1883 0.0000 0.0000 65.8869 31.3393 177.3300 121 L 4.3594 8.0199 114.9079 54.4386 41.7962 176.2351 122 A 4.4469 7.8716 123.4832 53.4263 18.6014 178.7665 123 G 3.9932 8.9042 110.5886 45.4050 0.0000 173.2798 124 K 4.5834 7.7425 119.4036 54.8183 33.5403 176.1835 125 D 4.6274 8.7478 124.8608 54.1552 41.8760 175.5877 126 L 4.6474 8.8244 123.1211 53.1187 44.6362 175.1053 127 D 5.3751 8.7428 122.9017 52.6378 43.5340 175.0110 128 F 5.3713 9.3799 123.0083 55.6385 42.1759 174.1733 129 Q 4.9343 8.8161 124.6418 54.4346 31.1191 174.3640 130 V 4.8216 8.3747 125.5873 61.0427 35.4119 173.7126 131 E 5.1016 9.1997 126.4271 54.5270 32.8603 175.3768 132 V 4.1624 8.9930 125.7946 62.4749 31.5344 176.6142 133 V 3.7684 9.0031 129.6064 65.2072 32.0394 176.1560 134 K 5.3569 7.7916 119.5841 54.1142 36.0874 174.7905 135 V 4.9397 8.7686 125.1821 61.2408 34.2947 174.5796 136 R 4.7830 8.5853 122.7034 54.4427 33.5563 174.0303 137 E 4.5367 8.6462 118.4092 55.7999 30.3879 176.9427 138 A 4.3996 8.3383 125.2360 51.9914 19.3618 177.9932 139 T 4.1726 9.2906 111.9675 60.4723 70.1963 174.1205 140 P 4.2706 0.0000 0.0000 65.6031 31.1864 178.6785 141 E 3.9826 8.1300 117.8275 59.3826 29.8128 178.4099 142 E 3.9748 7.7470 118.9169 58.8755 29.0684 179.4744 143 L 4.0290 7.8996 118.7639 57.4811 41.3902 179.5453 144 L 4.0147 7.5234 117.9064 58.3042 41.8062 179.1736 145 H 4.3429 8.3008 114.0099 56.2632 28.6345 175.9327 146 G 3.9827 7.9492 107.5100 46.0395 0.0000 172.8728 147 H 4.7870 7.4845 112.1129 53.9328 31.5573 172.5457 148 A 4.2521 8.4281 123.4395 52.4091 18.7698 177.7223 149 H 4.8275 8.8987 120.8550 53.1244 28.2286 172.1027 150 P 4.2311 0.0000 0.0000 63.7661 31.9672 177.0906 151 S 4.0492 8.7675 117.8755 59.1422 62.9845 171.8692 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 M 8.15 4.63 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 2 K 8.29 4.88 0.00 2.01 1.91 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.47 7.81 3 V 8.91 3.54 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 0.64 0.00 0.00 1.01 0.00 0.00 4 G 8.31 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 0.00 0.00 0.00 0.00 5 Q 8.77 4.33 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 6 D 9.22 4.56 0.00 2.96 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 7 K 7.61 4.83 0.00 1.66 1.72 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.51 7.81 8 V 8.61 4.29 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 0.88 0.00 0.00 0.89 0.00 0.00 9 V 8.04 4.67 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 1.00 0.00 0.00 0.68 0.00 0.00 10 T 8.97 5.27 4.27 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 1.30 0.00 0.00 11 I 8.95 5.11 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 1.09 0.00 0.00 12 R 8.92 5.25 0.00 1.90 1.82 0.00 3.01 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 13 Y 8.61 5.49 0.00 3.20 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 14 T 9.03 4.85 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 1.19 0.00 0.00 15 L 9.08 4.78 0.00 1.68 1.74 0.29 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 9.05 5.05 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 17 V 8.66 4.44 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 0.93 0.00 0.00 0.87 0.00 0.00 18 E 10.17 3.92 0.00 2.08 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 2.23 2.27 0.00 19 G 8.63 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 0.00 0.00 0.00 20 E 8.30 4.69 0.00 2.11 1.81 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 2.20 2.23 0.00 21 V 8.22 4.32 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 0.70 0.00 0.00 0.94 0.00 0.00 22 L 8.25 4.61 0.00 1.49 1.72 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.79 4.66 0.00 2.77 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 24 Q 7.89 4.26 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 25 G 5.86 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 26 E 8.27 5.44 0.00 1.83 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 2.22 2.26 0.00 27 L 9.21 5.08 0.00 1.83 1.88 1.05 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.75 5.45 0.00 3.76 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 29 Y 8.68 4.92 0.00 3.08 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 30 L 8.46 4.54 0.00 1.62 1.76 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.92 4.51 0.00 3.08 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 10.26 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 0.00 0.00 0.00 0.00 33 H 7.68 4.80 0.00 3.07 3.29 0.00 6.05 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.06 3.87 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 35 N 8.38 4.59 0.00 2.85 2.94 0.00 0.00 7.03 7.85 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 36 L 7.04 4.57 0.00 1.58 1.20 -0.30 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.77 3.53 1.57 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 1.42 0.40 0.25 0.00 0.00 38 P 0.00 4.23 0.00 2.21 2.10 0.00 3.55 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 2.10 0.00 39 G 8.30 3.61 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 0.00 0.00 0.00 40 L 7.60 3.78 0.00 1.31 1.46 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 3.87 0.00 1.92 1.97 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 2.19 2.21 0.00 42 E 8.06 3.88 0.00 2.07 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 0.00 2.31 2.31 0.00 43 A 7.79 4.05 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 44 L 7.95 4.17 0.00 2.01 1.85 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.29 3.93 0.00 2.10 2.02 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 2.34 2.33 0.00 46 G 8.66 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 47 R 7.70 4.07 0.00 2.14 1.89 0.00 2.90 0.00 0.00 2.69 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 48 E 9.52 4.42 0.00 2.09 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 2.31 2.38 0.00 49 E 8.50 4.07 0.00 2.10 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 2.33 2.39 0.00 50 G 9.15 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 51 E 8.26 4.42 0.00 2.17 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 2.37 2.44 0.00 52 A 8.39 5.48 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 53 F 8.43 4.87 0.00 3.11 3.11 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 0.00 54 Q 8.89 5.05 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 55 A 9.12 4.76 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 H 9.12 5.19 0.00 3.20 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.83 4.38 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 1.04 0.00 0.00 0.95 0.00 0.00 58 P 0.00 4.74 0.00 2.36 2.05 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 59 A 9.04 4.09 1.42 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 0.00 0.00 60 E 8.18 4.15 0.00 1.96 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 2.33 2.41 0.00 61 K 8.60 4.58 0.00 1.73 1.71 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.33 7.81 62 A 8.31 4.18 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 63 Y 9.29 4.29 0.00 2.93 2.84 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 64 G 8.21 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 0.00 0.00 0.00 65 P 0.00 4.60 0.00 2.22 2.10 0.00 3.78 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 2.01 1.97 0.00 66 H 8.54 4.47 0.00 3.17 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 9.14 4.48 0.00 2.71 2.56 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 68 P 0.00 4.58 0.00 2.29 2.34 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 69 E 8.61 4.17 0.00 1.97 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 2.37 2.29 0.00 70 G 8.55 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 71 V 7.21 4.48 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 1.03 0.00 0.00 72 Q 8.81 4.65 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 73 V 8.35 4.65 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 0.89 0.00 0.00 0.93 0.00 0.00 74 V 8.93 4.58 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 0.73 0.00 0.00 1.05 0.00 0.00 75 P 0.00 4.83 0.00 2.19 2.12 0.00 3.57 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 2.10 2.08 0.00 76 L 9.09 4.13 0.00 1.80 1.69 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.08 4.18 0.00 3.89 3.90 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 78 A 7.80 4.12 1.14 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 79 F 7.69 4.24 0.00 3.11 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 80 P 0.00 4.24 0.00 2.31 2.30 0.00 3.93 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 2.38 2.26 0.00 *87 P 0.00 4.70 0.00 2.20 2.13 0.00 3.95 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 1.98 2.23 0.00 88 G 8.76 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 0.00 0.00 0.00 89 A 7.62 4.01 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 90 Q 8.50 4.76 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 91 F 9.25 4.47 0.00 2.98 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 92 Y 8.11 4.61 0.00 2.90 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 93 A 7.79 4.33 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 94 Q 8.52 4.21 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 95 D 8.49 4.51 0.00 2.76 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 96 M 8.37 4.30 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 97 E 9.09 4.59 0.00 1.99 1.97 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 2.21 2.30 0.00 98 G 8.94 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 99 N 8.21 4.13 0.00 2.91 2.94 0.00 0.00 6.95 8.02 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 0.00 100 P 0.00 4.37 0.00 2.11 2.09 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 101 M 7.88 4.73 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 102 P 0.00 4.57 0.00 1.95 1.90 0.00 3.75 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 103 L 9.06 4.95 0.00 1.74 1.92 1.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.39 5.75 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 1.21 0.00 0.00 105 V 8.57 4.13 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 0.93 0.00 0.00 0.95 0.00 0.00 106 V 8.35 4.11 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 0.77 0.00 0.00 0.90 0.00 0.00 107 A 7.55 4.62 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 0.00 108 V 8.12 4.45 2.01 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 0.81 0.00 0.00 0.79 0.00 0.00 109 E 8.42 4.45 0.00 1.93 1.81 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 2.19 2.19 0.00 110 G 8.25 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 0.00 0.00 0.00 111 E 8.84 4.13 0.00 2.12 1.95 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 2.38 2.38 0.00 112 E 8.14 4.45 0.00 2.10 1.95 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 2.36 2.30 0.00 113 V 8.70 4.77 2.43 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 0.77 0.00 0.00 0.81 0.00 0.00 114 T 9.17 4.86 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 1.18 0.00 0.00 115 V 9.13 4.84 1.79 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 0.80 0.00 0.00 0.76 0.00 0.00 116 D 8.15 4.78 0.00 2.54 2.46 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 0.00 117 F 8.70 4.64 0.00 2.99 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 0.00 118 N 8.38 4.40 0.00 2.81 2.79 0.00 0.00 6.94 7.78 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 0.00 119 H 8.62 4.31 0.00 3.28 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.19 0.00 1.94 2.05 0.00 2.91 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 121 L 8.02 4.36 0.00 1.36 1.68 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.87 4.45 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 0.00 123 G 8.90 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 0.00 0.00 0.00 124 K 7.74 4.58 0.00 1.81 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.56 7.81 125 D 8.75 4.63 0.00 2.63 2.68 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 0.00 0.00 0.00 0.00 126 L 8.82 4.65 0.00 1.63 1.24 1.21 1.17 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 0.00 127 D 8.74 5.38 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 9.38 5.37 0.00 3.06 2.84 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 0.00 129 Q 8.82 4.93 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 130 V 8.37 4.82 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 0.00 0.00 0.81 0.00 0.00 0.72 0.00 0.00 131 E 9.20 5.10 0.00 1.90 1.82 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 2.20 2.19 0.00 132 V 8.99 4.16 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 1.03 0.00 0.00 1.16 0.00 0.00 133 V 9.00 3.77 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 0.78 0.00 0.00 0.96 0.00 0.00 134 K 7.79 5.36 0.00 1.82 1.56 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.26 7.81 135 V 8.77 4.94 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 0.85 0.00 0.00 0.92 0.00 0.00 136 R 8.59 4.78 0.00 1.88 1.94 0.00 2.80 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 137 E 8.65 4.54 0.00 1.86 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 2.29 2.29 0.00 138 A 8.34 4.40 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 0.00 139 T 9.29 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 1.24 0.00 0.00 140 P 0.00 4.27 0.00 2.18 2.15 0.00 3.60 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 2.11 2.14 0.00 141 E 8.13 3.98 0.00 2.07 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 2.51 2.57 0.00 142 E 7.75 3.97 0.00 2.20 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 2.32 2.18 0.00 143 L 7.90 4.03 0.00 1.88 1.73 0.92 0.58 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 0.00 144 L 7.52 4.01 0.00 1.90 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.30 4.34 0.00 2.79 3.08 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.95 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 0.00 0.00 0.00 147 H 7.48 4.79 0.00 3.29 3.39 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.43 4.25 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 0.00 149 H 8.90 4.83 0.00 3.08 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.23 0.00 2.07 2.02 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 151 S 8.77 4.05 0.00 3.94 3.80 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 * Residues marked with a * may have inaccurate shift predictions.