NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3351 8.1076 123.5797 51.9848 19.9715 175.4697 32 E 4.7057 8.4895 119.8628 53.4944 33.3169 169.5810 33 V 4.2541 8.5410 122.1089 60.9908 34.8716 175.4660 34 L 4.8057 8.5028 128.0490 54.4546 41.6706 176.7038 35 L 4.4166 9.2604 125.1851 56.8720 42.7100 177.2095 36 L 4.7218 7.7681 118.8156 53.8523 45.8740 174.3857 37 D 5.1759 8.6294 124.8865 53.0273 43.0993 175.1335 38 S 4.3364 9.2930 122.1335 59.7370 63.5294 175.4016 39 K 4.4248 7.8525 122.3077 54.1506 30.5445 175.3882 40 A 4.4082 7.4958 120.8697 53.6823 25.4778 176.9814 *46 E 4.2524 7.8850 110.5356 55.1211 31.2270 180.0648 47 W 4.8837 8.0659 115.9455 57.8263 30.2517 176.6186 48 I 4.0608 8.5613 123.1175 61.5391 37.5925 175.1346 49 S 5.2810 8.8373 121.7077 56.5365 65.0040 173.1398 50 S 4.6770 9.6159 122.3436 56.1617 65.3162 171.7226 51 P 4.8179 0.0000 0.0000 61.4156 32.1449 175.5481 52 P 4.3445 0.0000 0.0000 65.6704 31.1195 176.8514 53 N 4.7578 8.1541 113.7350 52.8745 39.4664 175.2866 54 G 3.4540 8.5417 110.2468 47.1079 0.0000 176.1739 55 W 4.4837 9.4884 117.2030 56.8610 30.5446 176.0294 56 E 4.8344 9.5041 125.2561 54.2432 32.6211 174.0129 57 E 4.2125 8.9299 127.8251 55.7920 30.6495 175.5446 58 I 4.6774 9.0793 128.0244 59.4772 40.8177 174.7262 59 S 5.1543 8.6779 120.9477 57.1537 66.0495 173.9888 60 G 4.1062 8.7100 106.5815 45.9289 0.0000 171.6812 61 L 5.3764 8.4279 119.2656 53.2690 45.4566 175.8588 62 D 4.7299 8.4022 123.7243 53.9064 39.9227 177.9097 63 E 3.9261 8.2241 120.4052 57.4545 28.6229 177.7094 64 N 4.5080 7.8398 112.4421 53.6126 38.8549 175.1519 65 Y 3.6952 7.6020 114.4869 58.6664 35.3691 168.9542 66 T 4.2765 8.2937 118.3987 62.4735 69.7228 172.5493 67 P 4.5983 0.0000 0.0000 62.9661 32.3044 175.6105 68 I 4.3497 8.8084 125.9912 59.7163 39.2381 174.7949 69 R 4.8160 8.6009 126.7775 54.5347 31.8586 175.5065 70 T 4.8200 8.5583 114.3698 59.9094 72.4717 172.4002 71 Y 5.1691 8.7581 120.9597 56.5598 40.5276 174.8192 72 Q 5.3367 9.7940 123.3375 54.1779 33.1304 174.9267 73 V 4.3131 8.2597 121.1089 60.5850 34.9912 174.3838 74 C 4.6920 8.3170 122.9853 58.5736 32.5833 173.2818 75 Q 4.6828 7.7891 128.2160 54.6362 28.9532 177.2330 76 V 3.7230 7.5051 108.9820 62.8525 32.6153 178.0931 77 M 4.1493 8.1030 122.1382 57.6853 32.2814 176.9412 78 E 4.6483 7.3615 114.0764 53.0912 31.6632 176.6713 79 P 4.4641 0.0000 0.0000 62.2117 32.8219 175.4181 80 N 4.1647 8.4933 113.7307 54.6160 35.8167 174.8138 81 Q 4.2208 7.4744 117.3341 55.7020 30.7390 177.4177 82 N 5.3259 8.3488 120.2939 52.3655 38.9293 171.9827 83 N 5.1555 9.0258 118.8297 51.3433 41.3073 174.6924 84 W 5.2682 9.7345 124.3043 54.7908 32.4223 174.6779 85 L 5.1866 8.9096 127.9903 53.8635 44.7602 175.7441 86 R 5.0540 9.1067 126.8417 54.8659 32.8767 172.5435 87 T 2.7002 8.3391 117.5903 60.3865 69.8301 174.3162 88 N 4.8554 7.8836 118.9052 51.0187 38.5062 172.1298 89 W 3.5569 8.5277 127.4090 58.7165 31.3695 175.0254 90 I 3.9889 7.2171 128.5388 58.8924 38.6330 175.3062 91 S 3.6423 7.7532 122.6914 57.7015 63.4228 174.8141 92 K 4.1841 8.8929 121.7357 57.3205 34.0755 178.3227 93 G 3.7805 7.6426 109.9675 47.9155 0.0000 174.7830 94 N 4.7712 8.7042 117.0449 51.5123 38.1090 173.5327 95 A 3.6123 6.9895 122.0252 51.6351 21.0717 176.2574 96 Q 3.8601 8.3409 121.0873 57.1970 28.1606 176.7174 97 R 4.3643 8.5134 119.4200 56.5052 32.0861 176.9123 98 I 4.4333 8.7523 124.0238 59.4490 40.6084 174.4386 99 F 4.8378 8.6445 125.4412 55.9004 41.1918 175.0229 100 V 4.6132 8.8482 123.3068 61.2311 34.1016 173.5876 101 E 5.1785 9.6004 130.4007 54.7270 31.5895 174.2959 102 L 5.4600 9.5309 127.3799 53.0467 44.6268 175.4140 103 K 5.3144 9.1139 123.8095 54.7269 34.7458 175.3319 104 F 5.5174 8.6671 118.3278 56.2550 41.7868 172.9570 105 T 4.9209 8.7984 110.3924 60.3420 71.5511 173.7092 106 L 5.1278 8.3645 125.4561 54.1532 44.4023 175.4598 107 R 4.2211 8.4702 126.1649 55.8360 31.1769 176.4781 108 D 3.6034 8.0445 121.9973 53.7849 41.5273 178.0118 109 C 4.2630 8.8736 124.5240 59.9985 40.4013 175.7260 110 N 4.1202 8.1775 115.7867 55.2398 38.2859 175.6325 111 S 4.5316 7.7895 111.4649 57.7900 63.5280 173.6113 112 L 4.6898 7.2193 121.2775 52.4989 43.4857 174.5115 113 P 4.3832 0.0000 0.0000 63.5296 32.2385 175.5098 114 G 4.0839 8.7664 117.5830 46.4399 0.0000 174.3154 115 V 2.5646 6.9653 107.9210 61.3634 31.9490 173.7396 *119 C 4.5983 8.1936 121.8123 56.6521 44.1498 172.7461 120 K 4.9036 8.8091 125.1906 54.9225 34.7250 175.6266 121 E 4.8866 8.6808 118.7221 56.2450 30.3268 175.5260 122 T 5.0429 7.8229 107.5707 60.3170 72.5878 171.8944 123 F 5.1101 8.8975 116.4644 55.8068 42.2160 172.6439 124 N 5.0767 9.2932 116.1296 51.3819 41.2966 173.8902 125 L 5.1311 8.1772 124.4145 53.6137 44.5671 174.8483 126 Y 5.5111 9.2212 123.5124 56.5322 42.2863 173.9287 127 Y 5.7286 9.3578 117.9152 56.2229 42.4836 173.6743 128 Y 4.6987 9.0698 121.7082 56.1611 42.0921 173.3486 129 E 4.9105 8.3357 125.5458 55.6673 30.8467 175.6207 130 T 4.5004 8.6597 117.7224 60.1794 70.6744 174.4301 131 D 4.2841 9.0278 127.6126 56.7011 41.0556 175.8792 132 Y 4.3406 7.2509 114.0254 55.0398 41.2744 174.2946 133 D 3.3700 7.7050 121.0833 52.3671 39.8992 175.6340 134 T 3.8956 7.8454 107.7482 61.8654 68.6476 172.9741 135 G 4.1347 9.7275 118.3794 44.0380 0.0000 173.5199 136 R 4.0830 9.0130 124.2524 59.2648 29.4634 173.0777 137 N 4.5855 7.9198 115.6263 52.3981 39.7433 174.3516 138 I 4.0270 7.9520 120.1547 59.3042 38.4238 176.2922 139 R 3.8514 8.0865 125.3567 55.5842 28.5737 173.8106 140 E 2.8191 8.4347 126.4809 58.0783 29.3808 178.1008 141 N 4.3570 7.6684 113.4609 54.1025 39.2886 174.8626 142 L 4.2350 7.5264 116.1701 55.7727 42.1558 176.1026 143 Y 4.3836 7.2668 117.6064 57.1609 38.8487 174.8092 144 V 4.3485 8.4192 125.0954 61.1642 33.2538 174.9778 145 K 3.8882 8.8288 129.7856 57.0385 32.2523 176.2783 146 I 4.0899 8.6983 129.7098 62.9537 37.6152 175.3329 147 D 4.3826 7.2388 118.3334 53.6216 44.6379 173.9354 148 T 4.3907 8.4164 118.8801 63.3081 69.5048 174.3085 149 I 4.2071 8.7153 127.4131 59.5699 38.8114 174.6671 150 A 5.1570 8.4533 128.2756 49.7724 21.6336 175.7887 151 A 4.4911 8.2675 120.7783 51.3651 19.7811 177.6749 152 D 4.3774 9.4513 120.1097 54.4031 41.4894 178.4290 153 E 3.6876 8.6683 121.4085 58.9749 30.0211 177.7680 154 S 4.7066 6.9653 114.0407 56.4907 63.8918 178.6237 155 F 4.4442 8.9823 124.6710 56.5975 39.7182 177.9454 156 T 3.0972 7.6006 112.7532 60.8626 67.0518 177.7410 *163 R 4.2866 8.3583 114.4061 57.4088 30.8447 175.4667 164 K 4.3649 7.7468 117.9816 55.6861 33.3381 176.0807 165 M 4.4871 8.2859 120.1776 54.9268 32.2937 176.7878 166 K 4.0593 8.7142 124.4798 55.4241 32.3737 177.0616 167 L 4.3559 8.4151 128.0147 52.9510 42.9025 175.4780 168 N 4.5425 8.6525 125.1996 52.7772 40.1605 174.5599 169 T 5.1621 8.2304 118.5784 61.8638 71.7882 173.1430 170 E 4.8581 9.6568 125.8847 54.4750 33.4435 174.9914 171 V 5.0821 8.6100 123.0607 61.2314 34.5260 174.7142 172 R 4.7368 9.0483 125.4457 54.3510 34.2246 173.6806 173 E 4.6273 8.6988 123.8379 54.4686 30.9820 174.7747 174 I 4.2024 8.8530 120.0329 59.3986 41.5944 175.3962 175 G 3.5763 8.2353 108.5217 43.5945 0.0000 171.2185 176 P 4.7596 0.0000 0.0000 61.8648 31.8138 176.5284 177 L 4.3937 7.9312 121.9144 53.9275 42.8512 177.0788 178 S 4.3191 8.5545 115.5789 60.2674 63.8454 175.1321 179 K 4.4649 8.1516 119.3860 55.2015 32.8669 177.4058 180 K 4.0870 8.6885 120.6726 59.1702 32.3829 176.7668 181 G 3.9619 7.8003 103.8120 45.6767 0.0000 171.4568 182 F 5.3020 7.6523 112.4897 56.2366 41.4737 172.8806 183 Y 4.8598 9.2860 118.4227 56.7785 40.2507 174.6606 184 L 5.3920 8.4792 121.9626 53.1323 44.8480 175.4508 185 A 4.7776 8.8205 123.2815 50.0483 23.1395 174.9025 186 F 5.2639 8.9538 118.8391 55.6292 42.6746 173.8414 187 Q 4.5859 9.2600 125.6363 54.1703 31.2954 173.4781 188 D 5.0258 9.4238 127.4344 52.9139 42.7750 177.0009 189 V 4.8616 7.7470 117.6884 60.8663 32.8079 175.7091 190 G 4.1516 8.2778 108.1702 46.6379 0.0000 173.6982 191 A 5.0080 8.6197 120.1865 50.3125 22.6665 176.6117 192 C 4.5776 8.3284 120.8871 57.9847 31.4333 171.6968 193 I 5.0400 8.7974 125.1610 58.8551 40.7897 174.4080 194 A 4.9302 8.8606 126.9994 49.9824 21.6373 175.2630 195 L 4.5123 9.2886 126.0223 55.8103 42.2574 177.2112 196 V 4.1631 8.8990 127.5794 64.2344 33.1138 176.1120 197 S 4.7390 7.8321 113.8661 56.9454 66.2025 173.1432 198 V 5.0132 9.3513 126.7516 61.2443 34.4635 174.1265 199 K 5.3641 9.3509 127.1389 54.6319 35.9268 175.3433 200 V 5.1378 9.0744 124.6114 61.3426 34.4014 173.7918 201 Y 5.4845 8.5076 124.6382 56.2302 41.8652 172.9195 202 Y 5.3804 8.5864 118.2435 54.9877 42.0819 175.6243 203 K 4.6000 8.6647 115.4193 54.8593 33.1173 176.7882 204 K 4.4194 8.8116 124.0400 57.2124 32.2287 175.0950 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 31 A 8.11 4.34 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 32 E 8.49 4.71 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 2.06 2.26 0.00 33 V 8.54 4.25 0.97 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 0.95 0.00 0.00 0.76 0.00 0.00 34 L 8.50 4.81 0.00 1.59 1.65 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.26 4.42 0.00 1.69 1.75 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.77 4.72 0.00 1.71 1.51 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.63 5.18 0.00 2.74 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 38 S 9.29 4.34 0.00 3.93 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 0.00 39 K 7.85 4.42 0.00 1.79 1.82 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.40 7.81 40 A 7.50 4.41 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 *46 E 7.88 4.25 0.00 2.03 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 2.13 1.91 0.00 47 W 8.07 4.88 0.00 3.04 3.19 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 48 I 8.56 4.06 1.89 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 1.19 0.65 0.93 0.00 0.00 49 S 8.84 5.28 0.00 4.05 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 50 S 9.62 4.68 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.82 0.00 2.54 2.20 0.00 3.99 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 52 P 0.00 4.34 0.00 2.25 2.30 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 53 N 8.15 4.76 0.00 2.87 2.99 0.00 0.00 6.00 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 54 G 8.54 3.45 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 0.00 55 W 9.49 4.48 0.00 3.29 3.28 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 56 E 9.50 4.83 0.00 2.09 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 0.00 2.21 2.29 0.00 57 E 8.93 4.21 0.00 1.91 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 58 I 9.08 4.68 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.87 0.00 0.00 59 S 8.68 5.15 0.00 3.81 3.87 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 60 G 8.71 4.11 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 0.00 0.00 0.00 61 L 8.43 5.38 0.00 1.57 1.51 1.01 1.02 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 62 D 8.40 4.73 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.93 0.00 2.20 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 0.00 2.10 1.88 0.00 64 N 7.84 4.51 0.00 2.79 2.89 0.00 0.00 6.98 7.46 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 65 Y 7.60 3.70 0.00 3.16 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 66 T 8.29 4.28 4.60 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 0.00 0.00 0.00 1.22 0.00 0.00 67 P 0.00 4.60 0.00 1.92 1.98 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 I 8.81 4.35 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 1.31 0.89 0.88 0.00 0.00 69 R 8.60 4.82 0.00 1.50 1.56 0.00 3.01 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 70 T 8.56 4.82 4.35 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 1.19 0.00 0.00 71 Y 8.76 5.17 0.00 2.94 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 72 Q 9.79 5.34 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 73 V 8.26 4.31 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 0.00 0.00 -0.68 0.00 0.00 0.54 0.00 0.00 74 C 8.32 4.69 0.00 2.82 2.75 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 0.00 0.00 0.00 0.00 75 Q 7.79 4.68 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 76 V 7.51 3.72 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 0.72 0.00 0.00 0.90 0.00 0.00 77 M 8.10 4.15 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 78 E 7.36 4.65 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 79 P 0.00 4.46 0.00 2.18 2.09 0.00 3.89 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 1.99 1.99 0.00 80 N 8.49 4.16 0.00 2.90 2.92 0.00 0.00 6.97 7.69 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 81 Q 7.47 4.22 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 82 N 8.35 5.33 0.00 2.76 2.80 0.00 0.00 6.99 7.79 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 83 N 9.03 5.16 0.00 2.58 2.76 0.00 0.00 6.88 7.58 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 84 W 9.73 5.27 0.00 3.31 3.03 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 85 L 8.91 5.19 0.00 0.78 0.60 0.85 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.11 5.05 0.00 1.44 1.74 0.00 3.32 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 87 T 8.34 2.70 3.22 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 0.00 0.00 0.00 0.19 0.00 0.00 88 N 7.88 4.86 0.00 2.77 2.66 0.00 0.00 6.56 7.96 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 89 W 8.53 3.56 0.00 2.83 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 90 I 7.22 3.99 0.56 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.24 0.50 0.00 0.00 91 S 7.75 3.64 0.00 3.77 3.67 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 0.00 0.00 0.00 92 K 8.89 4.18 0.00 1.91 2.12 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.30 7.81 93 G 7.64 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 94 N 8.70 4.77 0.00 2.74 2.68 0.00 0.00 6.44 7.46 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 95 A 6.99 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.34 3.86 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 97 R 8.51 4.36 0.00 1.54 1.50 0.00 3.02 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 98 I 8.75 4.43 1.50 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.82 0.00 0.00 99 F 8.64 4.84 0.00 1.94 2.37 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 0.00 100 V 8.85 4.61 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 1.10 0.00 0.00 0.90 0.00 0.00 101 E 9.60 5.18 0.00 2.43 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 2.38 2.42 0.00 102 L 9.53 5.46 0.00 1.95 1.91 1.30 1.10 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 0.00 103 K 9.11 5.31 0.00 1.76 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.43 7.81 104 F 8.67 5.52 0.00 3.35 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 0.00 105 T 8.80 4.92 4.32 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 1.28 0.00 0.00 106 L 8.36 5.13 0.00 2.08 1.92 1.11 1.30 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 0.00 107 R 8.47 4.22 0.00 1.71 1.79 0.00 3.20 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 108 D 8.04 3.60 0.00 1.58 1.98 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 0.00 109 C 8.87 4.26 0.00 3.06 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 0.00 110 N 8.18 4.12 0.00 2.84 2.83 0.00 0.00 6.87 7.57 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 0.00 111 S 7.79 4.53 0.00 3.91 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 0.00 112 L 7.22 4.69 0.00 1.58 1.57 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.38 0.00 2.02 1.95 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 114 G 8.77 4.08 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 0.00 115 V 6.97 2.56 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 0.76 0.00 0.00 0.92 0.00 0.00 *119 C 8.19 4.60 0.00 2.94 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 0.00 120 K 8.81 4.90 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 121 E 8.68 4.89 0.00 2.13 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 2.49 2.33 0.00 122 T 7.82 5.04 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 1.24 0.00 0.00 123 F 8.90 5.11 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 9.29 5.08 0.00 2.86 2.51 0.00 0.00 6.88 6.27 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 0.00 125 L 8.18 5.13 0.00 1.77 1.53 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.22 5.51 0.00 2.93 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 0.00 127 Y 9.36 5.73 0.00 3.38 3.03 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 0.00 128 Y 9.07 4.70 0.00 1.86 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 0.00 129 E 8.34 4.91 0.00 2.08 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 2.08 2.13 0.00 130 T 8.66 4.50 4.08 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 1.53 0.00 0.00 131 D 9.03 4.28 0.00 2.46 1.83 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 0.00 132 Y 7.25 4.34 0.00 2.76 2.55 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 141 N 7.67 4.36 0.00 2.57 2.70 0.00 0.00 6.95 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 0.00 142 L 7.53 4.24 0.00 1.07 0.95 0.56 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.27 4.38 0.00 3.04 3.17 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 0.00 144 V 8.42 4.35 1.61 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 1.02 0.00 0.00 0.85 0.00 0.00 145 K 8.83 3.89 0.00 1.57 1.61 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 0.77 7.81 146 I 8.70 4.09 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.92 0.80 0.00 0.00 147 D 7.24 4.38 0.00 2.66 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.42 4.39 4.17 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 1.19 0.00 0.00 149 I 8.72 4.21 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.42 0.58 0.00 0.00 150 A 8.45 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.27 4.49 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 152 D 9.45 4.38 0.00 2.66 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 0.00 153 E 8.67 3.69 0.00 2.02 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 2.24 2.30 0.00 154 S 6.97 4.71 0.00 3.71 3.68 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 0.00 155 F 8.98 4.44 0.00 3.07 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 0.00 156 T 7.60 3.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *163 R 8.36 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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 1.06 0.00 0.00 172 R 9.05 4.74 0.00 1.68 1.67 0.00 3.28 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 173 E 8.70 4.63 0.00 1.62 1.61 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 1.77 1.47 0.00 174 I 8.85 4.20 1.23 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.30 0.51 0.00 0.00 175 G 8.24 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 0.00 176 P 0.00 4.76 0.00 1.95 1.87 0.00 3.63 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 177 L 7.93 4.39 0.00 1.49 1.72 0.29 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.55 4.32 0.00 3.93 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 0.00 179 K 8.15 4.46 0.00 1.86 1.75 0.00 1.53 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.60 7.81 180 K 8.69 4.09 0.00 2.04 1.95 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 181 G 7.80 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 0.00 182 F 7.65 5.30 0.00 3.28 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 0.00 183 Y 9.29 4.86 0.00 3.32 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 0.00 184 L 8.48 5.39 0.00 1.36 1.13 1.02 1.09 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 0.00 185 A 8.82 4.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.95 5.26 0.00 2.27 2.67 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 0.00 0.00 0.00 187 Q 9.26 4.59 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 188 D 9.42 5.03 0.00 2.55 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 0.00 189 V 7.75 4.86 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 1.20 0.00 0.00 0.99 0.00 0.00 190 G 8.28 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 0.00 0.00 0.00 0.00 191 A 8.62 5.01 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 0.00 192 C 8.33 4.58 0.00 2.99 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 0.00 193 I 8.80 5.04 1.64 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 1.25 0.60 0.95 0.00 0.00 194 A 8.86 4.93 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 0.00 195 L 9.29 4.51 0.00 1.71 1.77 0.82 -0.29 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 0.00 196 V 8.90 4.16 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 0.80 0.00 0.00 1.07 0.00 0.00 197 S 7.83 4.74 0.00 3.95 3.71 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 0.00 198 V 9.35 5.01 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 1.24 0.00 0.00 1.08 0.00 0.00 199 K 9.35 5.36 0.00 1.93 1.87 0.00 1.85 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 200 V 9.07 5.14 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 1.02 0.00 0.00 1.06 0.00 0.00 201 Y 8.51 5.48 0.00 3.20 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 0.00 202 Y 8.59 5.38 0.00 3.16 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 0.00 203 K 8.66 4.60 0.00 1.92 1.90 0.00 2.00 0.00 0.00 2.33 0.00 0.00 2.77 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.38 1.56 7.81 204 K 8.81 4.42 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.