NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 A 4.2300 8.2493 123.5872 52.0718 20.1306 177.4293 30 D 4.4997 7.9914 122.2987 51.5813 42.8466 175.3173 31 A 2.7018 6.8225 119.8410 55.1653 18.4005 180.8367 32 Q 3.5382 6.8496 117.2104 58.9122 29.0465 177.9752 33 A 3.7114 7.9674 121.9649 55.1934 18.3603 179.7174 34 T 3.6804 7.6289 114.1862 66.6630 68.4591 177.0060 35 V 3.2639 7.3669 119.9656 65.7181 31.4905 177.7972 36 K 3.8456 7.5891 120.8178 59.1570 31.9531 178.7250 37 T 3.7631 7.9047 115.7342 66.5239 68.3177 176.4951 38 A 3.9324 7.8465 122.5665 55.2071 18.3719 179.8978 39 V 3.5270 7.9946 117.1127 66.2199 31.5109 177.9189 40 D 4.3514 8.3213 118.8113 57.2940 40.6076 178.3023 41 D 4.2679 8.1620 118.5114 57.2366 41.2831 178.2900 42 V 3.5709 7.8797 118.7517 66.1209 31.5477 177.9449 43 L 3.9667 8.1402 118.4019 57.8252 41.6264 179.4461 44 A 4.0181 8.3035 120.9668 55.3754 18.0670 179.8124 45 T 3.8142 7.8294 113.2577 66.8140 68.8551 176.5644 46 I 3.8617 7.7566 121.5786 64.5367 36.9733 178.7722 47 K 4.1581 8.0754 117.7860 58.8270 31.9236 178.7184 48 G 4.1573 7.7862 103.2868 44.1491 0.0000 173.1708 49 D 4.7776 7.8088 121.2352 50.9023 42.0128 174.1038 50 P 4.3411 0.0000 0.0000 65.7062 31.3388 178.0925 51 D 4.3171 8.3109 119.0384 56.9956 40.6484 178.3517 52 L 3.9647 8.0424 120.3662 58.3806 42.0541 179.1614 53 R 4.6556 7.3222 117.9379 58.4251 30.0440 178.5832 54 G 3.8632 8.0463 103.8382 45.4378 0.0000 174.2520 55 G 3.9037 7.9610 109.5548 45.3337 0.0000 173.2673 56 N 4.4020 8.1074 118.5884 52.9292 38.6987 175.4401 57 L 4.0721 8.6174 128.7787 58.1565 42.3159 178.1347 58 Q 3.9572 8.2040 119.1016 59.4392 28.8704 178.6385 59 K 4.3480 8.6101 120.6426 58.6900 32.0104 179.6484 60 V 3.6121 7.6852 118.7176 65.9302 31.4077 177.9919 61 F 3.9026 8.6068 117.5986 60.7904 38.7572 177.7236 62 Q 4.0318 8.3740 117.5778 58.6780 28.3852 178.3995 63 L 4.0325 8.2939 121.8440 58.2448 42.0238 179.3291 64 V 3.5051 7.8232 117.9139 66.1620 31.2596 177.6933 65 D 4.3272 8.0771 117.4694 57.3577 40.7111 178.2902 66 Q 4.2486 8.1705 117.3185 57.4633 29.1994 177.4331 67 K 4.4661 8.3046 117.2442 56.1914 33.7255 177.2090 68 I 4.2621 7.3849 117.9740 62.8228 38.9507 177.3967 69 V 3.5863 7.8337 119.1725 65.9404 31.0853 176.2707 70 P 4.4733 0.0000 0.0000 64.4568 31.3107 176.9462 71 R 4.7440 8.1245 116.0108 55.6078 31.4542 175.1672 72 A 5.2993 8.1570 120.2501 50.2358 22.6103 176.4542 73 D 4.8872 9.0758 118.9141 52.1286 40.7007 176.1452 74 F 4.3786 8.4995 125.6060 59.3875 39.8473 176.0091 75 K 3.9073 8.1299 119.3911 59.4968 31.9709 178.4110 76 R 3.7592 8.0067 118.5740 59.6616 29.6424 178.3973 77 T 3.8882 7.5473 115.2394 67.1632 68.1793 176.6691 78 T 4.1136 7.4366 116.3137 66.6113 68.5601 176.4812 79 Q 3.4917 7.6457 119.3416 58.8249 28.6816 178.8345 80 I 3.8566 7.6897 119.4663 64.1197 37.4294 179.6398 81 A 4.2173 8.0612 120.0609 52.5944 18.7038 177.2991 *83 G 4.0843 8.4509 110.8462 46.7462 0.0000 177.0369 84 R 4.0091 8.4752 120.5445 57.8835 29.6319 177.4982 85 F 4.5754 7.8172 116.9526 58.5221 39.9606 177.2471 86 W 4.3445 8.4685 131.2990 60.7468 30.2239 178.0087 87 S 4.1456 8.2128 111.7878 61.2908 62.5679 175.8783 88 Q 4.0661 7.7584 120.2810 57.2485 28.8601 176.4321 89 A 4.3471 7.0466 122.7094 51.2874 19.3915 177.9638 90 T 4.0079 8.4606 112.7128 61.0229 70.7955 173.9480 91 P 4.2494 0.0000 0.0000 65.8490 31.2521 178.8969 92 E 3.9420 8.0122 116.8306 59.5321 29.4559 179.1632 93 Q 3.9620 8.1487 118.0911 59.0177 28.7481 178.8958 94 Q 3.7929 8.1785 119.3808 58.9026 28.5901 178.8171 95 Q 4.0678 8.0807 120.4827 59.3449 29.0684 178.1658 96 Q 4.0449 8.2890 119.1858 59.0404 28.6850 179.0006 97 I 3.7603 8.2655 121.2257 64.3483 37.0953 178.1206 98 Q 4.3616 8.3917 120.4118 59.6338 28.8788 178.2932 99 D 4.5804 8.6385 120.0811 57.4307 40.8346 179.0956 100 G 3.6797 8.6369 106.6550 47.6434 0.0000 175.6411 101 F 4.6730 8.9749 123.5735 61.0561 39.4561 177.0501 102 K 3.2389 8.6916 119.6177 59.4636 31.8794 178.5322 103 S 4.1567 8.3160 113.3931 61.3198 62.2994 175.7491 104 L 4.0687 8.2304 123.0200 58.3265 41.8510 179.0798 105 L 4.0242 8.0167 118.7729 57.7800 41.6833 179.5338 106 I 3.5269 7.6604 119.7847 64.4992 36.7417 178.7773 107 R 4.0242 7.9208 117.6427 59.4923 29.9001 178.9999 108 T 3.8735 7.7174 114.9194 66.0583 68.7330 175.4077 109 Y 4.6497 7.6462 115.7665 57.7461 38.3259 177.3882 110 A 4.1458 7.9355 123.9862 55.0813 18.4977 180.2923 111 G 3.5401 8.0995 103.4856 47.9702 0.0000 175.5840 112 A 4.0670 7.9823 121.8160 54.7458 18.8781 179.3055 113 L 4.0762 8.1159 117.2268 58.0050 41.9079 179.6704 114 A 4.0931 8.2456 120.5967 54.8164 18.0750 178.5100 115 N 4.6410 7.8624 112.5237 52.8382 39.2417 175.8358 116 V 3.8650 7.1186 121.0979 63.4940 31.9633 174.3103 117 R 4.4897 9.1553 125.1393 57.3508 32.4490 175.8927 118 N 4.9728 7.8979 111.0134 52.6111 39.9866 174.7457 119 Q 4.6220 8.3673 117.9460 56.0587 29.3739 175.9268 120 T 4.9156 8.5427 112.4113 59.7452 72.8579 172.8013 121 V 4.8807 8.2747 120.4516 59.8723 34.3532 174.4546 122 A 4.8080 8.7244 125.6372 50.3452 21.8443 174.6017 123 Y 4.7691 8.4447 118.8482 56.4320 40.1660 175.8733 124 K 4.5516 8.7533 123.4215 54.9025 33.4806 175.2469 125 P 4.3008 0.0000 0.0000 62.9594 31.7222 176.1574 126 F 4.4664 8.7956 124.6416 57.9980 39.6972 175.1914 127 R 4.1975 7.6699 125.6251 56.1538 31.5027 176.2315 128 A 4.0534 6.1537 119.9524 50.9212 19.4979 176.6181 129 A 4.3098 8.9301 122.4108 51.6007 19.1028 179.0690 130 A 4.2314 8.7091 123.3859 54.9598 18.5722 178.5719 131 D 4.7493 8.0335 112.6824 53.8377 40.2882 176.5976 132 D 4.6527 8.0182 120.9928 54.9658 41.4263 176.0701 133 T 4.5473 8.5661 110.5190 61.5644 70.8554 172.8617 134 D 5.3669 8.2519 121.4025 53.3051 43.5279 174.0880 135 V 4.7595 9.3905 118.8992 59.7246 36.9051 174.4917 136 V 4.9632 8.4055 120.7864 61.3035 33.8879 174.5329 137 V 4.6929 9.0618 127.6352 61.3607 33.8075 174.3221 138 R 5.4928 9.0634 126.2603 53.9479 33.2442 175.0227 139 S 4.8955 8.7320 115.6144 57.4670 67.3657 172.8923 140 T 4.9265 8.6655 116.8500 61.7918 71.9150 173.4166 141 V 4.2105 8.8792 127.5579 61.9877 33.3004 174.5790 142 N 4.6501 9.2703 127.7399 53.3723 39.5898 173.0174 143 N 4.8361 9.0972 127.7866 52.2451 38.6300 174.3200 144 N 4.3236 9.6041 125.1776 53.6903 36.5734 175.6095 145 G 3.8899 8.6956 106.6717 44.9344 0.0000 173.6310 146 E 4.3722 7.9575 121.6211 53.7641 30.2480 173.1438 147 P 4.6648 0.0000 0.0000 62.7186 32.2945 175.9316 148 V 4.2810 8.7528 124.8655 60.7293 33.8780 174.3270 149 A 4.5584 8.5168 130.7275 51.7531 19.4035 176.3047 150 L 4.5605 8.7007 122.2693 53.0219 45.1042 175.6471 151 D 5.3676 7.9070 123.4029 52.6269 44.5787 174.9491 152 Y 5.3404 9.1499 117.5492 56.5817 42.4479 174.6768 153 R 4.7211 8.8589 122.5603 55.1345 31.9951 175.6793 154 V 5.0807 8.9842 123.1385 61.1671 35.1357 173.5872 155 E 5.3224 9.7585 128.4628 54.3151 32.7887 174.5797 156 K 3.6685 8.4633 129.2704 55.1588 32.3464 176.4868 157 S 4.5266 8.5874 123.3718 55.9697 64.7757 173.3957 158 P 4.1835 0.0000 0.0000 65.2221 30.9869 176.9822 159 N 4.7245 7.4266 113.0846 52.9288 37.7439 174.2789 160 G 3.7331 7.7023 104.9736 44.5595 0.0000 173.3619 161 W 4.7735 8.4504 118.7765 56.5835 29.6863 176.5262 162 K 4.9556 9.3508 123.7203 54.4474 35.7088 175.7009 163 V 4.4892 9.0455 125.8881 63.1090 32.3017 175.5756 164 Y 4.9757 8.7485 124.5619 56.7595 39.2784 174.6215 165 D 4.8442 7.4802 118.4190 53.5755 45.0427 173.4106 166 I 5.1526 8.5365 122.0828 59.2475 42.0685 173.0717 167 N 4.7492 8.5203 127.4358 51.6852 40.7657 173.2497 168 I 4.3421 8.0410 126.8403 59.9883 40.9309 176.1337 169 S 3.6865 9.7307 122.0768 59.6016 60.3422 173.6289 170 G 3.8145 8.3496 106.7333 45.2292 0.0000 173.9073 171 L 4.6131 7.3509 120.1159 52.2879 44.2158 175.7077 172 W 4.7846 8.5172 123.2577 56.1304 30.2588 177.4612 173 L 4.2941 9.0750 125.3803 58.0748 41.1767 179.8566 174 S 4.3260 9.1296 114.3818 61.3851 62.7852 176.3699 175 E 3.9546 8.2992 122.4444 59.3444 29.5956 178.4433 176 T 3.7544 7.9736 115.7663 67.1422 68.5746 176.1833 177 Y 3.6134 8.2130 118.3185 60.0759 37.7860 177.9560 178 K 4.5882 8.0279 122.3957 59.1646 32.4058 178.5859 179 N 4.3613 8.1021 116.5905 56.2242 38.5146 177.2559 180 Q 3.9112 8.0170 120.9532 59.3349 29.0931 178.4340 181 F 4.3842 8.6639 119.0055 60.4735 38.8664 177.5698 182 A 3.9767 8.2863 120.5764 55.0807 18.1313 179.1939 183 D 4.1814 7.9866 116.2722 57.3845 41.2480 178.6539 184 V 3.3205 7.4450 118.5389 66.0679 31.5882 178.0154 185 I 3.5739 7.7257 119.7987 64.1701 36.9160 178.4040 186 S 3.9844 8.0068 113.9470 61.5272 62.1230 176.5447 187 K 4.1276 8.0033 119.6281 58.4773 31.8672 178.5981 188 R 4.4965 7.9915 115.8240 55.1792 30.6339 176.8626 189 G 3.7764 7.0626 105.9079 44.0765 0.0000 174.5275 190 G 3.8914 6.8907 106.9233 43.9268 0.0000 174.1312 191 V 3.5963 8.0159 118.3473 65.8450 31.3776 178.5244 192 G 3.7654 8.1781 105.3120 47.7847 0.0000 175.6088 193 G 3.6278 7.8669 107.6892 47.4973 0.0000 175.5833 194 L 3.8623 7.6127 122.1844 57.7354 42.1954 178.9213 195 V 3.5324 7.6764 118.2692 66.0489 31.4466 177.6475 196 Q 3.9604 8.0833 119.1504 59.2238 28.8097 178.1081 197 F 4.1895 8.4289 121.6342 61.4444 39.4001 177.0758 198 L 3.8204 8.3446 118.9048 57.7219 41.3444 179.1844 199 D 4.3378 8.1749 118.8368 57.4380 40.7574 178.6644 200 E 3.9167 8.1818 118.9156 59.5414 29.4134 179.7494 201 R 3.7734 7.8341 118.1093 59.3129 30.0942 178.9503 202 N 4.3459 8.3589 116.1814 56.0813 38.3582 177.3898 203 A 3.9795 8.1564 122.3948 55.1491 18.2561 179.4750 204 Q 3.9023 7.9788 117.0581 59.3944 29.2251 178.2124 205 L 4.1246 7.9964 118.8793 57.5930 41.6841 179.0086 206 A 4.1482 7.9103 120.2125 54.8009 18.3587 178.0412 207 K 4.2343 7.6636 120.8654 56.8648 32.2687 176.8321 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 29 A 8.25 4.23 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 30 D 7.99 4.50 0.00 2.66 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 31 A 6.82 2.70 -0.23 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 32 Q 6.85 3.54 0.00 1.57 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 33 A 7.97 3.71 1.22 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 0.00 0.00 0.00 34 T 7.63 3.68 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 35 V 7.37 3.26 1.90 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 0.48 0.00 0.00 0.70 0.00 0.00 36 K 7.59 3.85 0.00 1.05 1.56 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.19 7.81 37 T 7.90 3.76 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 38 A 7.85 3.93 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 39 V 7.99 3.53 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 1.17 0.00 0.00 0.88 0.00 0.00 40 D 8.32 4.35 0.00 2.92 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 41 D 8.16 4.27 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.88 3.57 2.23 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 0.97 0.00 0.00 0.99 0.00 0.00 43 L 8.14 3.97 0.00 1.73 1.71 0.93 0.90 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 44 A 8.30 4.02 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 T 7.83 3.81 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 46 I 7.76 3.86 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 1.00 0.00 0.00 47 K 8.08 4.16 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.59 7.81 48 G 7.79 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.81 4.78 0.00 2.67 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 50 P 0.00 4.34 0.00 2.30 2.30 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 51 D 8.31 4.32 0.00 2.89 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 52 L 8.04 3.96 0.00 1.90 1.78 0.96 1.00 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 53 R 7.32 4.66 0.00 1.85 1.99 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 54 G 8.05 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 55 G 7.96 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 0.00 0.00 0.00 56 N 8.11 4.40 0.00 2.85 2.82 0.00 0.00 6.87 6.07 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 57 L 8.62 4.07 0.00 1.86 1.68 1.14 0.76 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 58 Q 8.20 3.96 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 59 K 8.61 4.35 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 60 V 7.69 3.61 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 0.99 0.00 0.00 1.03 0.00 0.00 61 F 8.61 3.90 0.00 3.22 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 62 Q 8.37 4.03 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 63 L 8.29 4.03 0.00 1.81 1.95 0.92 0.79 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 64 V 7.82 3.51 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 0.89 0.00 0.00 0.84 0.00 0.00 65 D 8.08 4.33 0.00 2.84 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 66 Q 8.17 4.25 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 67 K 8.30 4.47 0.00 1.74 1.82 0.00 2.04 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.58 7.81 68 I 7.38 4.26 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.89 0.00 0.00 69 V 7.83 3.59 2.30 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 1.06 0.00 0.00 0.97 0.00 0.00 70 P 0.00 4.47 0.00 2.07 2.11 0.00 3.63 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 2.21 2.18 0.00 71 R 8.12 4.74 0.00 1.80 1.90 0.00 3.23 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 72 A 8.16 5.30 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 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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 0.00 *83 G 8.45 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 84 R 8.48 4.01 0.00 1.70 1.87 0.00 2.77 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.59 0.00 85 F 7.82 4.58 0.00 3.22 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 86 W 8.47 4.34 0.00 3.53 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 0.00 87 S 8.21 4.15 0.00 4.08 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 0.00 88 Q 7.76 4.07 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 89 A 7.05 4.35 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 90 T 8.46 4.01 4.32 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.12 3.86 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 0.81 0.00 0.00 0.99 0.00 0.00 117 R 9.16 4.49 0.00 1.76 1.86 0.00 3.32 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 118 N 7.90 4.97 0.00 2.66 2.78 0.00 0.00 6.91 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 0.00 119 Q 8.37 4.62 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 120 T 8.54 4.92 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 1.27 0.00 0.00 121 V 8.27 4.88 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 0.82 0.00 0.00 0.48 0.00 0.00 122 A 8.72 4.81 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 0.00 123 Y 8.44 4.77 0.00 2.97 2.97 0.00 0.00 0.00 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 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 0.00 141 V 8.88 4.21 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 0.96 0.00 0.00 0.87 0.00 0.00 142 N 9.27 4.65 0.00 2.82 2.69 0.00 0.00 6.41 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 0.00 143 N 9.10 4.84 0.00 2.85 2.81 0.00 0.00 7.01 6.39 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 0.00 144 N 9.60 4.32 0.00 2.85 2.85 0.00 0.00 7.48 7.65 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 0.00 145 G 8.70 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 0.00 0.00 0.00 146 E 7.96 4.37 0.00 2.00 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 0.00 2.21 2.24 0.00 147 P 0.00 4.66 0.00 1.93 1.94 0.00 3.64 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 2.00 2.05 0.00 148 V 8.75 4.28 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 0.70 0.00 0.00 0.96 0.00 0.00 149 A 8.52 4.56 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.70 4.56 0.00 1.42 1.08 0.89 0.45 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 0.00 151 D 7.91 5.37 0.00 1.94 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 0.00 152 Y 9.15 5.34 0.00 2.93 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 0.00 153 R 8.86 4.72 0.00 0.69 0.78 0.00 2.36 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 154 V 8.98 5.08 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 1.27 0.00 0.00 1.04 0.00 0.00 155 E 9.76 5.32 0.00 2.16 1.80 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 2.08 2.27 0.00 156 K 8.46 3.67 0.00 0.79 0.95 0.00 1.21 0.00 0.00 1.38 0.00 0.00 2.71 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.79 0.21 7.81 157 S 8.59 4.53 0.00 3.94 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 0.00 158 P 0.00 4.18 0.00 2.01 2.13 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 159 N 7.43 4.72 0.00 2.83 2.87 0.00 0.00 7.24 6.88 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 0.00 160 G 7.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.45 4.77 0.00 3.18 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 0.00 162 K 9.35 4.96 0.00 1.73 1.74 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 163 V 9.05 4.49 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 1.26 0.00 0.00 0.92 0.00 0.00 164 Y 8.75 4.98 0.00 2.96 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 0.00 165 D 7.48 4.84 0.00 2.35 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 0.00 0.00 0.00 0.00 166 I 8.54 5.15 1.92 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 0.89 1.07 0.88 0.00 0.00 167 N 8.52 4.75 0.00 1.44 1.49 0.00 0.00 6.89 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 0.00 168 I 8.04 4.34 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.86 0.00 0.00 169 S 9.73 3.69 0.00 3.94 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 0.00 170 G 8.35 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.35 4.61 0.00 1.65 1.53 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 172 W 8.52 4.78 0.00 3.43 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 9.08 4.29 0.00 1.93 2.11 1.13 0.79 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 0.00 174 S 9.13 4.33 0.00 4.15 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 0.00 175 E 8.30 3.95 0.00 2.22 2.26 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 2.45 2.50 0.00 176 T 7.97 3.75 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 177 Y 8.21 3.61 0.00 2.93 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 0.00 0.00 0.00 178 K 8.03 4.59 0.00 2.00 2.00 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 179 N 8.10 4.36 0.00 2.91 2.82 0.00 0.00 6.72 7.41 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 0.00 180 Q 8.02 3.91 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 181 F 8.66 4.38 0.00 3.14 2.92 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 0.00 182 A 8.29 3.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.18 0.00 2.80 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 0.00 184 V 7.44 3.32 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 0.75 0.00 0.00 -0.24 0.00 0.00 185 I 7.73 3.57 1.42 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 -0.17 0.00 0.00 186 S 8.01 3.98 0.00 3.92 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 0.00 187 K 8.00 4.13 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 188 R 7.99 4.50 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.41 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 189 G 7.06 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 0.00 190 G 6.89 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 0.00 0.00 0.00 191 V 8.02 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 192 G 8.18 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 0.00 193 G 7.87 3.63 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 0.00 194 L 7.61 3.86 0.00 1.56 1.70 0.21 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 195 V 7.68 3.53 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 0.93 0.00 0.00 0.95 0.00 0.00 196 Q 8.08 3.96 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 197 F 8.43 4.19 0.00 3.15 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 0.00 198 L 8.34 3.82 0.00 1.83 1.72 0.82 1.17 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 0.00 199 D 8.17 4.34 0.00 2.88 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 0.00 200 E 8.18 3.92 0.00 2.06 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 2.50 0.00 201 R 7.83 3.77 0.00 1.71 1.86 0.00 3.21 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.04 0.00 202 N 8.36 4.35 0.00 2.82 2.89 0.00 0.00 6.93 6.99 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 0.00 203 A 8.16 3.98 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 0.00 204 Q 7.98 3.90 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 205 L 8.00 4.12 0.00 1.67 1.73 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 206 A 7.91 4.15 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 0.00 207 K 7.66 4.23 0.00 1.87 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81 * Residues marked with a * may have inaccurate shift predictions.