NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6909 8.4249 119.2074 53.2198 39.3491 174.0643 7 R 4.2697 8.4163 125.0062 55.8390 31.1165 174.8283 8 T 4.5731 9.4769 117.2177 62.0577 71.9626 173.0243 9 V 4.6355 8.3706 126.1792 60.9682 33.6853 174.6835 10 A 4.7773 8.5830 127.4108 50.0145 22.8602 174.3939 11 L 4.9079 8.5547 122.6575 53.3980 44.5277 174.6679 12 A 5.0627 8.9611 128.6884 50.3846 21.4074 175.3924 13 I 4.7083 8.4505 123.5872 58.8232 39.7982 174.7076 14 I 4.6400 8.3776 128.8147 60.2006 39.4667 172.0330 15 D 4.4932 8.9840 133.1078 54.0956 41.2332 173.4834 *17 Q 4.3998 8.1749 121.3043 55.5393 30.4115 176.0227 18 N 4.3436 8.8507 117.8451 56.8188 38.4777 177.6519 19 D 4.3418 8.3693 117.6812 56.3729 41.0600 177.8819 20 F 5.1453 8.3110 116.1884 56.7380 40.4473 177.4272 21 V 3.9991 7.7076 118.6077 64.0401 32.9555 176.2446 22 L 4.1215 7.8788 120.6497 53.5960 41.9293 174.8470 23 P 4.3234 0.0000 0.0000 64.4788 31.3525 176.7635 24 G 3.8329 8.9509 108.9545 45.4992 0.0000 173.3759 25 A 4.1763 8.1206 123.0892 51.0264 18.5487 175.9610 26 P 3.6302 0.0000 0.0000 64.1262 32.0704 176.4286 27 A 4.7716 7.2749 120.6364 51.4093 19.4451 176.9432 28 C 4.2216 7.6949 121.3893 60.9450 32.6926 173.4893 29 V 4.1539 9.2719 127.2269 61.5501 31.8773 176.1042 30 E 3.9463 9.3042 128.6240 59.6858 29.4116 178.7589 31 G 3.7700 7.8689 104.2318 46.8756 0.0000 175.2682 32 A 4.5318 7.5775 121.9794 52.1007 17.5405 179.5756 *34 G 3.9441 8.1089 110.3927 47.1779 0.0000 175.4880 35 T 4.1820 7.6925 108.8932 62.9226 68.9994 176.8836 36 V 3.5980 7.6868 121.8082 65.8687 31.6074 175.8616 37 P 4.2595 0.0000 0.0000 65.1054 31.0920 178.8061 38 V 3.6105 7.7517 117.0895 66.0901 31.5518 177.9628 39 I 3.6972 7.9399 119.3437 64.2528 36.9004 178.2779 40 A 4.1215 8.3792 122.0661 55.0473 18.2081 179.9218 41 G 3.5617 8.2306 104.3041 47.9041 0.0000 175.7330 42 L 4.0744 8.3274 123.1420 57.5940 42.0569 178.9558 43 L 3.9460 8.1684 120.3334 57.9513 42.1182 178.4740 44 A 3.9476 7.9788 120.7929 55.1212 18.2657 179.4864 45 K 3.6222 8.1151 117.5716 59.5076 32.3293 178.5266 46 A 3.5924 8.1055 121.2482 55.5136 18.1651 179.9118 47 R 3.8399 8.4568 116.3316 59.1952 29.8320 179.2554 48 A 3.9693 7.4935 119.9343 54.9425 18.5058 178.9880 49 E 3.9242 7.5428 114.8142 56.4687 29.5653 177.6112 50 G 3.9817 7.1222 105.4526 45.9466 0.0000 174.1775 51 W 4.8506 7.6969 127.6147 56.6454 29.6611 179.9055 *53 V 4.0008 8.8070 130.0212 63.5781 32.6716 172.4073 54 L 4.9820 8.9772 128.1320 53.3176 44.2153 175.4405 55 H 4.8223 9.4654 123.3103 54.9753 30.1226 174.8259 56 V 4.6974 8.6926 125.2631 61.4855 32.8794 175.1238 57 V 5.1029 8.7784 120.6549 59.7606 36.2472 175.0151 58 R 4.7601 9.4663 121.0232 54.7807 31.4983 177.4948 59 A 4.9058 7.7632 121.4754 51.6180 19.5182 175.4577 60 H 4.5711 9.4856 120.2718 54.6200 30.7761 176.4303 61 R 4.2330 9.0220 121.3256 56.2213 30.5027 178.1712 62 A 4.1977 8.6268 124.8528 55.1047 18.5906 178.1915 63 D 4.4912 8.0812 113.0973 53.8639 40.1544 177.3761 64 G 3.2411 8.3869 109.5388 45.4578 0.0000 175.6597 65 S 4.1145 8.4855 115.1126 60.0773 63.2061 174.7916 66 D 4.7222 7.6688 118.0485 52.6491 39.5679 176.0139 67 A 3.8968 7.0426 122.2619 51.5966 18.8284 177.9989 68 E 4.0148 8.4154 119.8081 56.2426 30.3628 178.4481 69 K 3.8598 8.8703 122.3581 59.7732 32.1915 179.1713 70 S 4.3166 8.1346 111.0967 60.4842 62.7975 174.6772 71 R 4.6271 8.1584 117.8315 55.3641 32.3095 176.6279 72 E 3.9677 8.2063 120.5698 59.2613 30.1908 178.2961 73 H 4.1829 8.5931 114.1821 58.6730 28.4048 176.9646 74 L 3.8525 7.2496 120.2561 57.3253 41.6075 179.3878 75 F 4.3162 8.1119 115.3261 58.4967 39.2832 175.5632 76 L 4.0371 7.6833 120.0585 58.8387 41.2428 174.4696 77 E 4.2781 8.7997 124.1859 54.7332 29.4282 175.8771 78 G 3.7140 8.6911 104.0148 47.3598 0.0000 173.9669 79 G 3.9318 7.1880 109.1055 43.9875 0.0000 172.0412 80 G 2.6680 7.4215 105.1313 42.4908 0.0000 172.3251 81 L 4.3053 6.9444 121.7140 54.4760 44.4813 175.9973 82 C 4.1720 9.0568 124.4538 60.6952 26.5229 173.7908 83 V 4.1553 7.3870 118.9328 62.3263 32.1916 174.5403 84 A 4.1054 8.7214 130.1407 54.3889 18.3725 177.7314 85 G 3.9590 9.1658 112.0970 45.2631 0.0000 173.4091 86 T 4.4351 7.6013 110.0843 59.5033 70.7488 174.1829 87 P 4.3485 0.0000 0.0000 65.4978 31.5962 179.4077 88 G 3.7993 8.2647 105.8430 47.3884 0.0000 174.5696 89 A 4.2428 7.3846 119.8653 52.7845 19.0639 177.3790 90 E 4.1492 7.9879 118.1054 55.3562 30.3600 176.2519 91 I 4.0715 8.1445 125.5788 61.2214 37.8891 176.6657 92 V 3.8778 8.3402 117.1190 61.0208 32.0987 175.5804 93 A 4.1915 8.4413 125.2286 54.4009 18.4083 178.1986 94 G 4.1084 9.4494 111.3956 45.1839 0.0000 173.9103 95 L 4.8399 7.2313 119.0493 54.2873 42.6843 176.6058 96 E 4.1358 8.2206 117.6978 55.4062 30.1539 175.5167 97 P 4.4015 0.0000 0.0000 62.5488 32.3039 175.8965 98 A 4.5735 9.3712 124.5656 50.1143 20.6943 176.7296 99 S 4.1624 8.4983 113.7459 60.4645 62.4091 175.1838 100 G 3.9774 8.9901 115.6402 45.1994 0.0000 173.0298 101 E 4.3644 7.8532 118.7174 56.4338 30.8309 176.2119 102 T 4.5014 8.7073 118.4903 62.3890 70.5839 174.0668 103 V 4.7874 8.3860 125.7704 61.0504 33.5412 174.2110 104 L 4.6973 9.0258 130.5493 53.1991 44.6814 174.9690 105 V 4.7055 8.4571 126.6928 61.6734 32.7384 174.9483 106 K 4.8722 9.0585 127.1650 55.4157 35.6222 176.7021 107 T 4.6004 8.6228 108.9775 61.4883 70.0078 173.3829 108 R 4.8647 7.3295 119.2279 53.4972 34.2829 174.4948 109 F 4.6658 8.3585 115.8113 61.3271 39.0397 175.7729 110 S 4.6335 8.0723 113.7749 57.4526 62.7950 173.7377 111 A 3.9722 8.7087 131.1020 54.9400 18.2533 177.9057 112 F 4.3451 8.3293 115.7405 56.5105 37.4448 176.0222 *114 G 3.8778 8.1820 112.9200 44.8267 0.0000 169.7553 115 T 4.7058 7.5932 109.3547 59.5718 71.7885 173.0293 116 E 4.5143 8.5106 116.4720 56.4392 30.1195 176.8234 117 C 4.0758 8.1954 122.3848 63.1638 31.6325 176.9371 118 D 4.7908 8.0809 117.7312 54.4588 40.2635 177.6772 *120 L 4.2860 8.0857 119.1091 54.3438 43.8420 179.4246 121 L 4.1031 8.0432 118.3618 57.7148 42.0895 179.7109 122 R 4.0425 8.5983 118.2191 59.1011 30.2818 178.8398 123 R 3.9031 8.0999 116.9532 59.3099 30.1013 177.3145 124 R 4.0064 7.8244 116.2522 56.8890 30.2456 176.6363 125 G 3.9051 7.9877 105.1292 46.4560 0.0000 173.9210 126 V 3.9250 7.9136 119.7034 62.9475 31.9813 175.3358 127 D 5.0681 9.0804 124.6069 53.4328 41.4840 175.5288 128 T 5.1292 7.7984 116.6369 62.2212 72.8997 172.1315 129 L 5.0235 9.4062 129.1396 53.1456 44.9555 174.8237 130 L 4.8761 9.0463 126.7568 53.5010 43.7592 175.5019 131 V 4.6686 8.7992 124.7458 61.2134 33.2212 174.7065 132 S 4.6354 9.1683 121.5537 56.7062 67.0474 172.1620 133 G 4.2849 8.5440 104.3075 44.1844 0.0000 173.2213 134 T 4.8076 8.6134 118.6416 60.5331 70.9893 173.3891 135 Q 4.6086 8.0727 123.1756 54.7214 31.6408 175.4861 136 Y 4.1381 9.2973 119.0986 61.3044 37.6772 177.4185 137 P 4.8024 0.0000 0.0000 63.7700 33.1179 176.2132 138 N 3.8583 8.0915 115.0881 53.7486 39.8267 176.5375 139 C 4.7902 8.5215 123.6482 62.7578 29.1316 174.9579 140 I 3.5489 7.4788 120.9642 64.5012 36.7273 178.2906 141 R 4.0159 8.1283 119.5208 59.3879 29.8914 178.8346 142 G 3.6630 8.3583 105.8205 48.0943 0.0000 175.9529 143 T 4.1701 8.0672 117.9322 66.2810 68.4146 176.9182 144 A 4.0676 8.2563 122.8599 55.1750 18.5070 179.9319 145 V 3.6564 8.1391 117.0043 66.1208 31.6385 178.0412 146 D 4.2656 8.2958 118.7106 57.1943 40.6174 178.5555 147 A 3.7624 8.2195 121.4318 54.9216 18.4801 179.4875 148 F 4.1205 8.6239 119.2157 61.4580 39.3224 177.2890 149 A 3.8649 8.0975 119.2644 54.4573 18.1495 178.5276 150 L 4.2346 7.2822 115.0564 54.5764 41.9060 177.1594 151 D 4.5644 7.4957 117.6015 54.1407 38.9991 174.3102 152 Y 4.2619 7.4200 116.8486 57.8931 38.9632 175.2200 153 D 4.6991 9.3127 123.5391 54.1007 41.9203 175.4489 154 V 4.8064 8.6211 123.3222 61.0115 34.5484 174.0633 155 V 4.7456 8.6794 128.0894 61.0803 33.9643 174.4466 156 V 4.2736 8.7941 129.9573 62.2686 32.8159 175.2521 157 V 4.3565 8.4932 129.8150 62.1868 31.0271 176.7092 158 T 4.4995 9.3050 120.5731 63.9205 68.9443 175.8829 159 D 4.6680 8.1321 118.2926 53.5870 40.0565 176.0467 160 A 4.6678 8.1228 121.5352 52.1080 20.1351 176.1813 161 C 5.6940 7.9990 113.1083 57.3658 31.5509 173.3395 162 S 4.9988 8.0193 114.1636 57.0201 67.2556 171.8673 163 A 4.9944 8.2738 120.3826 50.5777 22.4911 177.4941 164 R 4.0972 8.8222 117.7858 58.8195 30.6478 178.1726 165 T 4.7648 7.4667 106.4246 58.5154 73.1681 172.8464 166 P 4.3545 0.0000 0.0000 65.8055 31.3636 179.1898 167 G 3.5633 8.0344 104.1116 47.7456 0.0000 175.7904 168 V 3.5491 7.7044 119.8461 65.4808 31.4498 177.9522 169 A 3.1979 7.6983 120.0082 54.9967 18.1936 179.2068 170 E 3.7390 8.1334 117.4820 59.7738 29.6061 180.0327 171 S 4.0622 8.0096 113.9287 61.3750 62.9082 176.3015 172 N 4.2952 7.9950 120.1619 55.8674 38.0432 177.2594 173 I 3.6176 7.3137 120.5667 64.5910 37.5419 177.6882 174 N 4.4726 8.1284 117.0333 56.4505 38.1120 177.7226 175 D 4.1569 7.6140 114.9235 55.2816 40.6586 177.5495 *177 R 4.6905 8.1280 119.1601 56.4573 31.9208 178.9500 178 A 4.1149 7.6097 121.7304 51.6179 17.0703 178.3235 *180 G 3.8437 8.0565 107.3562 45.9960 0.0000 173.2078 181 I 4.0458 6.9666 121.5343 60.5687 38.8302 175.1809 182 T 4.1932 8.2914 123.5766 63.6660 69.4842 173.4483 183 C 5.3023 8.7236 124.0022 58.1762 30.6947 173.6929 184 V 4.6257 8.5716 116.4811 58.8822 36.4208 173.9583 185 P 4.9689 0.0000 0.0000 61.6767 32.4872 177.3908 186 L 4.0219 9.0073 121.3644 58.7514 41.5877 179.0891 187 T 4.0820 7.9261 107.3584 63.6023 69.1907 175.1557 188 A 4.4657 7.8610 122.9593 52.1797 19.0382 178.5898 189 L 3.9110 7.8908 121.0126 58.3088 42.1948 178.4543 190 D 4.4642 8.2239 118.3840 57.6518 40.5478 178.4222 191 D 4.3691 8.0762 117.4976 57.5077 41.3200 178.6301 192 V 3.7489 7.7753 118.5509 66.0868 31.3114 178.1206 193 L 4.0394 8.0830 117.6618 57.5406 41.5376 179.0321 194 A 4.1503 8.2114 120.0181 54.3976 18.3334 177.5668 195 R 4.0565 7.5537 120.4532 56.9803 30.2933 176.2407 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 6 N 8.42 4.69 0.00 2.70 2.85 0.00 0.00 7.05 6.77 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 7 R 8.42 4.27 0.00 1.90 1.86 0.00 3.16 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 8 T 9.48 4.57 4.39 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 1.32 0.00 0.00 9 V 8.37 4.64 0.67 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 -0.26 0.00 0.00 0.46 0.00 0.00 10 A 8.58 4.78 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 11 L 8.55 4.91 0.00 1.88 1.63 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.96 5.06 1.12 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 13 I 8.45 4.71 1.80 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 1.21 1.43 0.90 0.00 0.00 14 I 8.38 4.64 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.82 0.00 0.00 15 D 8.98 4.49 0.00 2.62 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 0.00 0.00 0.00 0.00 *17 Q 8.17 4.40 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 18 N 8.85 4.34 0.00 2.89 2.86 0.00 0.00 7.30 7.62 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 19 D 8.37 4.34 0.00 2.31 2.28 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 20 F 8.31 5.15 0.00 3.24 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 21 V 7.71 4.00 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 0.86 0.00 0.00 1.07 0.00 0.00 22 L 7.88 4.12 0.00 1.76 1.58 0.91 0.81 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 23 P 0.00 4.32 0.00 2.18 2.08 0.00 3.83 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 2.00 1.99 0.00 24 G 8.95 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 0.00 0.00 0.00 25 A 8.12 4.18 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 26 P 0.00 3.63 0.00 1.90 1.84 0.00 3.58 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 2.03 2.02 0.00 27 A 7.27 4.77 1.28 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 28 C 7.69 4.22 0.00 3.15 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 29 V 9.27 4.15 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 1.00 0.00 0.00 1.09 0.00 0.00 30 E 9.30 3.95 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 2.34 2.41 0.00 31 G 7.87 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 0.00 0.00 0.00 32 A 7.58 4.53 1.39 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 0.00 0.00 *34 G 8.11 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 35 T 7.69 4.18 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 1.31 0.00 0.00 36 V 7.69 3.60 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 1.14 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.26 0.00 2.20 2.08 0.00 3.81 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 2.11 2.14 0.00 38 V 7.75 3.61 2.28 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 1.23 0.00 0.00 0.94 0.00 0.00 39 I 7.94 3.70 1.87 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 1.49 0.73 0.91 0.00 0.00 40 A 8.38 4.12 1.40 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 0.00 0.00 0.00 41 G 8.23 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 0.00 0.00 0.00 42 L 8.33 4.07 0.00 1.79 1.89 1.07 0.62 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 43 L 8.17 3.95 0.00 1.94 1.92 0.96 0.91 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 44 A 7.98 3.95 1.38 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 0.00 0.00 45 K 8.12 3.62 0.00 1.88 2.02 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.17 1.27 7.81 46 A 8.11 3.59 1.63 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 0.00 0.00 47 R 8.46 3.84 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 48 A 7.49 3.97 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 49 E 7.54 3.92 0.00 1.16 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 1.77 1.47 0.00 50 G 7.12 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 51 W 7.70 4.85 0.00 3.37 2.41 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 *53 V 8.81 4.00 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 0.94 0.00 0.00 0.99 0.00 0.00 54 L 8.98 4.98 0.00 1.49 1.46 0.88 0.81 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 55 H 9.47 4.82 0.00 3.04 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.69 4.70 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 0.83 0.00 0.00 0.87 0.00 0.00 57 V 8.78 5.10 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 0.73 0.00 0.00 1.00 0.00 0.00 58 R 9.47 4.76 0.00 1.84 1.84 0.00 3.69 0.00 0.00 3.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 59 A 7.76 4.91 1.19 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.42 4.01 0.00 2.00 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 2.09 2.18 0.00 69 K 8.87 3.86 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 70 S 8.13 4.32 0.00 4.05 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 71 R 8.16 4.63 0.00 2.02 2.04 0.00 3.36 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 72 E 8.21 3.97 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 2.32 2.31 0.00 73 H 8.59 4.18 0.00 3.44 3.61 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.25 3.85 0.00 1.71 1.48 0.86 1.21 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 75 F 8.11 4.32 0.00 3.13 3.12 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 76 L 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0.00 0.00 0.00 0.00 0.00 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 S 8.07 4.63 0.00 3.98 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 0.00 111 A 8.71 3.97 1.03 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 0.00 112 F 8.33 4.35 0.00 3.10 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 *114 G 8.18 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 0.00 0.00 0.00 115 T 7.59 4.71 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 1.20 0.00 0.00 116 E 8.51 4.51 0.00 2.10 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 0.00 2.20 2.22 0.00 117 C 8.20 4.08 0.00 2.80 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 0.00 118 D 8.08 4.79 0.00 3.19 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 128 T 7.80 5.13 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 1.13 0.00 0.00 129 L 9.41 5.02 0.00 1.51 1.44 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.05 4.88 0.00 1.52 1.51 0.67 0.52 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 0.00 131 V 8.80 4.67 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 0.92 0.00 0.00 0.92 0.00 0.00 132 S 9.17 4.64 0.00 3.99 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 0.00 133 G 8.54 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 0.00 134 T 8.61 4.81 4.15 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 1.06 0.00 0.00 135 Q 8.07 4.61 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 136 Y 9.30 4.14 0.00 2.97 2.96 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 0.00 137 P 0.00 4.80 0.00 2.09 2.15 0.00 3.26 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 138 N 8.09 3.86 0.00 2.32 1.42 0.00 0.00 6.85 7.63 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 0.00 139 C 8.52 4.79 0.00 2.99 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 0.00 140 I 7.48 3.55 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.70 0.00 0.00 141 R 8.13 4.02 0.00 2.07 2.02 0.00 3.10 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 142 G 8.36 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.07 4.17 4.45 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 1.25 0.00 0.00 144 A 8.26 4.07 1.39 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 0.00 0.00 145 V 8.14 3.66 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 1.11 0.00 0.00 0.95 0.00 0.00 146 D 8.30 4.27 0.00 2.83 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 0.00 147 A 8.22 3.76 1.51 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 0.00 0.00 148 F 8.62 4.12 0.00 3.25 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 0.00 149 A 8.10 3.86 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 0.00 150 L 7.28 4.23 0.00 1.80 1.69 0.48 1.02 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 0.00 151 D 7.50 4.56 0.00 2.56 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 0.00 152 Y 7.42 4.26 0.00 3.12 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 0.00 153 D 9.31 4.70 0.00 2.76 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 0.00 154 V 8.62 4.81 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 1.02 0.00 0.00 1.22 0.00 0.00 155 V 8.68 4.75 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 0.92 0.00 0.00 0.91 0.00 0.00 156 V 8.79 4.27 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 0.92 0.00 0.00 0.94 0.00 0.00 157 V 8.49 4.36 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 0.93 0.00 0.00 0.94 0.00 0.00 158 T 9.31 4.50 4.36 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 1.36 0.00 0.00 159 D 8.13 4.67 0.00 2.81 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 0.00 160 A 8.12 4.67 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 0.00 161 C 8.00 5.69 0.00 2.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.02 5.00 0.00 3.82 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 0.00 163 A 8.27 4.99 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 0.00 164 R 8.82 4.10 0.00 1.83 2.03 0.00 3.20 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 165 T 7.47 4.76 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 0.00 166 P 0.00 4.35 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 167 G 8.03 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 0.00 0.00 0.00 168 V 7.70 3.55 2.21 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 0.99 0.00 0.00 0.92 0.00 0.00 169 A 7.70 3.20 1.17 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 0.00 170 E 8.13 3.74 0.00 2.13 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 2.26 2.25 0.00 171 S 8.01 4.06 0.00 4.00 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 0.00 172 N 8.00 4.30 0.00 2.61 2.90 0.00 0.00 6.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.31 3.62 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.06 0.87 0.00 0.00 174 N 8.13 4.47 0.00 2.80 2.83 0.00 0.00 7.12 7.61 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 0.00 175 D 7.61 4.16 0.00 2.77 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 *177 R 8.13 4.69 0.00 1.92 1.99 0.00 3.23 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 178 A 7.61 4.11 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 *180 G 8.06 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 0.00 181 I 6.97 4.05 1.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.24 0.92 0.00 0.00 182 T 8.29 4.19 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 1.21 0.00 0.00 183 C 8.72 5.30 0.00 2.80 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 0.00 184 V 8.57 4.63 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 0.77 0.00 0.00 0.95 0.00 0.00 185 P 0.00 4.97 0.00 2.20 2.11 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 186 L 9.01 4.02 0.00 1.80 1.70 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.93 4.08 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 0.00 188 A 7.86 4.47 1.38 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 0.00 0.00 189 L 7.89 3.91 0.00 1.89 1.85 0.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.22 4.46 0.00 2.77 2.77 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 0.00 191 D 8.08 4.37 0.00 2.83 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 0.00 192 V 7.78 3.75 2.21 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 1.03 0.00 0.00 0.99 0.00 0.00 193 L 8.08 4.04 0.00 1.71 1.74 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.21 4.15 1.38 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 0.00 0.00 195 R 7.55 4.06 0.00 1.95 1.91 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.