NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4583 8.3044 120.3338 54.9306 34.1178 175.3549 2 K 4.1161 7.8168 118.2652 53.1518 33.3392 174.4998 3 F 5.0434 8.1550 120.3399 55.1311 41.9479 173.1523 4 F 4.7797 8.9476 119.8457 55.4881 41.9045 174.9358 5 L 4.7205 8.3101 123.3371 54.1657 41.9680 176.6902 6 K 4.2584 8.5479 120.8902 56.4346 32.6434 177.2807 7 D 4.5685 8.7923 122.9861 56.1660 39.8772 178.1035 8 G 3.9566 7.9544 109.6865 45.7090 0.0000 173.2980 9 E 4.4231 8.2824 119.1204 57.6060 32.2214 177.3618 10 T 3.9382 8.2808 114.8596 67.1481 68.5238 176.6221 11 S 4.1345 7.9866 116.2582 61.4164 62.4170 176.3548 12 R 3.8058 8.0382 120.8107 59.1888 29.7672 177.7374 13 A 4.0578 7.5452 119.4704 53.3325 18.9001 179.2755 14 L 3.8708 7.6384 119.7337 58.1558 41.9988 178.7540 15 S 4.4861 8.1016 112.9067 60.0612 63.1996 176.1542 16 R 3.9528 7.5486 122.5257 59.1002 29.7007 178.0459 17 S 4.2988 7.9217 113.3020 60.5735 63.5247 176.1566 18 E 3.9436 8.3184 122.6731 59.0346 29.3449 178.8031 19 S 4.4717 7.7357 111.5833 59.3130 63.6381 176.1786 20 L 3.8943 7.4963 125.0180 58.1359 42.0196 178.1392 21 L 3.9317 8.0880 120.4494 58.5053 41.7158 178.8853 22 R 3.8439 7.4550 115.7193 59.7034 30.1563 178.7468 23 R 3.9752 7.7665 117.6081 59.1440 30.0154 178.5866 24 V 3.6025 7.6943 118.2498 65.4467 31.3385 177.9823 25 K 3.3968 7.4129 116.6977 58.3197 31.8339 178.4373 26 E 4.1013 7.3980 117.7830 57.1979 29.7948 177.1432 27 L 4.1842 6.9859 118.8887 54.7339 42.6091 176.0028 28 G 4.0199 8.1199 108.9414 45.4659 0.0000 174.0429 29 T 4.5156 8.3375 109.9374 58.5626 66.6269 174.2565 30 N 5.2998 7.4629 133.4600 54.2024 38.3651 175.9121 31 S 4.2830 7.6619 115.9003 58.5066 63.6644 174.4063 32 Q 4.2132 8.3809 122.7797 55.6318 29.5653 177.1860 33 Q 3.9654 8.8328 119.5863 59.3078 29.0518 179.5231 34 S 4.0500 8.2832 111.0133 61.5014 62.4371 175.2742 35 E 3.9647 8.0065 122.3076 56.3878 28.9550 179.6568 36 I 3.4513 7.1454 118.5484 63.9206 38.2165 177.7314 37 S 4.1245 8.6350 116.1371 61.2034 62.7301 176.2023 38 E 4.3285 8.5786 123.0210 58.4646 29.6064 178.3401 39 C 3.9965 8.1349 119.2916 62.3637 31.3682 175.7858 40 V 3.6507 7.8802 119.6857 66.0704 30.8022 177.3459 41 D 4.6597 8.0145 118.8467 57.6904 40.7562 178.8736 42 E 3.9637 8.4994 119.4099 59.3692 29.6201 178.3683 43 F 4.1050 8.1391 120.1512 61.4719 39.3654 176.4971 44 N 4.3112 9.1867 117.4509 56.7614 38.7610 176.4441 45 E 3.9545 8.1979 119.7594 59.5863 29.5951 179.2137 46 L 3.9595 7.8865 118.4784 57.8405 41.4753 179.3213 47 A 3.7939 7.5572 119.6411 55.5118 18.4873 179.4113 48 S 4.1292 8.1191 113.2988 61.7356 62.8580 176.4032 49 F 3.8888 8.7072 123.3593 61.6801 39.0754 176.6984 50 N 4.3323 8.7525 116.7090 57.3241 38.7589 176.1504 51 H 4.0698 8.1928 119.3179 59.0709 29.8700 177.2192 52 L 3.9638 7.6084 120.3569 57.6014 41.5054 178.5097 53 L 3.6917 7.4834 120.4758 58.4546 41.8296 178.9128 54 V 3.5773 8.3291 118.2243 66.6530 31.3097 178.1637 55 T 3.8091 7.7552 108.8521 64.5653 68.4976 176.3618 56 V 3.2515 8.1188 121.4330 65.8047 31.5029 177.5677 57 E 4.0788 8.3299 118.3521 59.9089 29.2443 178.8976 58 H 4.1948 8.4778 118.1747 59.3398 29.6650 177.1447 59 R 3.8674 8.0041 119.2505 59.6036 30.2831 177.8439 60 E 4.0724 8.7794 118.7484 59.1006 29.2041 179.0054 61 W 4.3728 8.6399 127.6923 61.1048 30.8591 177.7272 62 M 3.4514 7.3709 116.3868 56.8626 32.6893 177.0988 63 E 4.5590 7.4404 120.7487 55.1718 29.5524 174.6217 64 Q 4.5119 6.8558 124.0134 55.9597 29.3971 177.2738 *77 R 4.3707 8.9135 128.4936 57.3217 31.8713 176.7136 78 I 3.8622 7.9657 118.3149 64.5232 37.1234 178.4814 79 G 3.6761 8.1174 105.8448 47.7495 0.0000 175.1769 80 E 4.0765 8.1966 120.3485 59.8173 29.4851 179.2064 81 M 4.2579 7.7955 118.1251 58.0430 32.0837 178.7807 82 L 4.1880 8.3184 119.8692 57.6027 41.8789 179.1720 83 K 3.9818 8.6040 120.0693 59.6653 32.1848 178.7014 84 E 3.9543 7.9852 117.4079 59.5260 29.5027 178.9970 85 I 3.9024 7.9246 119.8789 64.7352 37.2756 177.8789 86 R 3.6427 8.6993 119.2741 59.8023 29.5757 177.8487 87 A 3.9517 7.5980 118.5569 55.4588 18.2687 179.4284 88 F 4.2124 8.0336 115.4754 60.6484 39.1082 177.8776 89 L 4.0031 8.2712 120.0242 57.5281 41.3874 178.4191 90 K 4.0313 8.7004 120.2361 59.9379 31.8509 178.2157 91 V 3.4937 7.3323 114.3869 64.3302 31.6220 176.2986 92 R 4.3861 7.8653 115.3226 56.0563 31.5935 175.9343 93 V 3.6371 6.9579 118.9058 62.1331 31.9287 175.3620 94 V 3.9963 8.1150 120.4559 59.5761 33.8297 175.4571 95 T 4.5147 8.1573 114.2875 59.3132 70.8287 173.1973 96 P 4.5786 0.0000 0.0000 64.0413 31.6047 176.2785 97 M 4.3497 7.8820 116.4332 55.5998 31.2721 176.0364 98 H 4.7935 7.9750 118.0526 55.6620 28.1030 174.8092 99 K 4.8302 8.4346 122.9457 54.0416 35.3532 176.5260 100 E 4.2051 8.8835 121.0320 58.6099 30.1288 177.4986 101 T 4.7825 7.5588 113.8979 60.1674 72.4405 174.8247 102 A 2.5800 8.0242 125.3593 55.1462 18.2124 180.1319 103 S 3.8876 7.7655 110.6068 61.8851 62.5491 176.1047 104 D 4.4256 7.9779 120.7937 57.3155 40.6258 178.5150 105 T 4.0178 8.3373 117.0395 66.5958 68.3437 176.2382 106 L 3.9015 7.7535 121.9113 58.2426 42.1522 178.3268 107 N 4.2379 8.0647 116.3245 56.5273 38.5663 176.7538 108 A 4.0575 8.4266 122.0709 55.6682 18.4843 179.7559 109 F 3.9598 8.4838 115.8038 60.3680 38.8836 177.7208 110 L 3.9747 8.2884 120.3024 58.4411 42.0051 178.9617 111 E 4.0111 8.9893 119.0018 59.3679 29.2741 179.1083 112 E 3.9726 8.3661 119.5169 59.2758 29.7146 178.2107 113 Y 4.0747 8.1626 119.7096 60.8847 38.8081 177.6793 114 C 4.1583 8.4724 117.8429 62.6217 27.9567 176.1644 115 R 3.8197 7.6527 119.4604 59.4467 29.8188 178.4186 116 I 3.7455 7.6783 118.6735 64.3823 37.2638 178.0256 117 T 4.0881 7.9688 108.4497 61.4491 69.1575 176.0166 118 G 3.8629 8.0471 109.1718 45.4109 0.0000 173.9319 119 L 4.0658 7.7030 119.4103 54.0461 42.4225 177.4923 120 A 4.2367 8.2785 122.4899 52.1311 20.3223 179.2612 121 R 3.9248 8.4222 120.1630 59.3172 30.0096 178.9743 122 E 3.9046 8.1781 117.6788 59.6106 29.9332 178.2659 123 D 4.5072 8.0737 118.0273 57.1714 40.9972 178.4282 124 A 4.2239 7.9010 120.9138 55.2172 18.4482 179.6666 125 L 3.9127 8.7081 117.7915 57.8124 41.4177 179.6001 126 R 4.1051 7.6449 116.3819 57.1684 30.6162 177.0315 127 E 4.1188 7.6836 119.2044 55.8739 30.3925 176.3901 128 K 4.4004 9.5599 122.3271 56.0689 33.0613 177.5687 129 M 3.6791 8.9620 124.3425 59.6598 32.2830 178.7896 130 R 3.8732 7.4479 116.6573 59.2802 29.5420 178.3919 131 K 3.7442 8.0089 117.3897 59.8855 32.1931 178.9992 132 V 3.3065 7.4710 118.0050 65.8813 31.2812 178.3994 133 K 4.1489 8.6690 119.3907 60.1836 32.7171 179.3384 134 S 4.6132 8.1513 115.4808 60.0717 63.0003 176.5528 135 V 3.4789 9.0298 123.1348 66.1233 31.3477 178.1478 136 V 3.8234 8.1068 117.9985 65.7325 31.3572 178.1505 137 L 4.2292 8.8056 119.3435 57.9936 41.5780 179.0271 138 F 4.1443 8.7013 117.6705 61.3796 38.6495 176.8579 139 H 4.0978 8.3959 117.0173 60.0223 29.5519 176.8375 140 H 4.1611 8.8456 117.6976 58.8645 28.6328 177.8761 141 S 4.9231 8.7194 118.7632 61.4231 62.5558 176.3331 142 E 3.9471 8.3007 120.5784 59.0923 29.2796 178.0257 143 L 4.2870 7.3802 118.8762 56.3100 42.5142 177.4493 144 L 4.5086 8.0237 116.4988 53.0607 42.5838 176.2603 145 K 3.9369 8.2410 117.3337 56.6084 30.0893 174.5635 146 F 4.7767 7.9649 118.3402 56.3779 42.9142 172.6962 147 E 4.1448 8.0724 128.8537 55.9551 29.9026 175.9411 148 V 4.3157 8.5748 126.4962 61.4624 32.8991 174.9111 149 T 4.6761 8.1302 117.5728 59.7738 71.0089 175.5564 150 E 4.2882 8.7424 120.5974 59.3280 29.5656 178.2881 151 N 5.4013 8.1165 113.7866 52.7982 37.3609 175.0345 152 M 4.4093 8.1179 116.5257 55.5542 32.1173 175.7447 153 F 4.9628 7.8444 117.1737 55.5147 42.5286 175.4830 154 S 4.2172 8.5244 116.3271 60.2577 63.9197 174.7081 155 Y 4.7969 7.2455 120.6373 57.7846 37.2756 177.0949 156 T 4.0937 7.8274 119.2047 67.0945 69.1828 175.6141 157 E 3.9431 8.2775 119.6324 59.5582 29.4883 178.9720 158 L 3.8737 8.0016 119.4799 58.4364 41.9663 178.9404 159 L 3.7512 7.6955 116.8636 56.7221 41.5544 178.7798 160 K 4.2119 7.4328 116.6675 56.2799 32.7634 176.9897 161 L 3.8636 7.3867 120.5368 55.0431 42.4715 177.1209 162 N 4.9231 8.4006 124.2645 52.0283 36.6652 173.6278 163 L 4.9174 7.3342 120.8006 52.3730 47.2209 176.8210 164 S 5.1397 8.5045 115.6839 57.7367 63.9651 175.2032 165 L 3.8472 8.5165 122.3679 57.9792 41.1642 179.7587 166 R 3.8008 8.0045 118.5351 59.5653 30.0417 178.6443 167 V 3.5440 7.4845 117.7276 66.1317 31.4948 178.0334 168 I 3.7010 7.9515 119.9023 64.3997 36.8840 178.6058 169 S 4.1534 8.5603 115.7201 60.6587 62.7113 176.2033 170 S 4.2371 8.0949 116.8535 60.2369 63.6876 175.7461 171 Q 4.2641 8.3550 120.3341 56.8968 29.0762 176.9694 172 I 4.1190 7.5794 119.4211 62.6142 38.3734 176.3297 173 L 4.5639 7.7698 118.2432 60.1255 40.5131 177.8887 174 G 3.6678 7.4919 103.0040 47.9355 0.0000 174.0305 175 M 4.2791 8.4195 122.0784 54.0836 33.5742 176.6040 176 A 4.2085 8.5116 122.9681 52.1094 20.1800 177.7658 177 I 3.7482 7.5620 118.9338 61.3794 36.8468 175.0257 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 8.30 4.46 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 K 7.82 4.12 0.00 1.69 1.63 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.70 1.05 7.81 3 F 8.15 5.04 0.00 3.11 2.91 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 4 F 8.95 4.78 0.00 2.98 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 5 L 8.31 4.72 0.00 1.88 1.76 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.55 4.26 0.00 1.82 1.85 0.00 1.78 0.00 0.00 2.03 0.00 0.00 3.25 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.58 7.81 7 D 8.79 4.57 0.00 2.82 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 8 G 7.95 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 9 E 8.28 4.42 0.00 2.30 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 2.58 2.73 0.00 10 T 8.28 3.94 4.33 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 1.28 0.00 0.00 11 S 7.99 4.13 0.00 3.85 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 12 R 8.04 3.81 0.00 2.12 2.09 0.00 3.16 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 13 A 7.55 4.06 0.61 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 14 L 7.64 3.87 0.00 1.87 1.76 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.10 4.49 0.00 4.08 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 16 R 7.55 3.95 0.00 2.15 1.98 0.00 3.03 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 17 S 7.92 4.30 0.00 4.12 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 18 E 8.32 3.94 0.00 2.17 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 2.34 2.33 0.00 19 S 7.74 4.47 0.00 4.07 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 20 L 7.50 3.89 0.00 1.77 1.94 0.99 0.63 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 21 L 8.09 3.93 0.00 1.83 1.88 1.08 1.35 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 22 R 7.46 3.84 0.00 1.98 1.97 0.00 3.34 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 23 R 7.77 3.98 0.00 1.89 2.19 0.00 3.08 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 24 V 7.69 3.60 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 1.00 0.00 0.00 0.99 0.00 0.00 25 K 7.41 3.40 0.00 1.67 1.50 0.00 1.56 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.97 7.81 26 E 7.40 4.10 0.00 2.03 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 2.45 2.44 0.00 27 L 6.99 4.18 0.00 1.68 1.56 0.87 0.87 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 28 G 8.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.34 4.52 4.22 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 1.18 0.00 0.00 30 N 7.46 5.30 0.00 2.90 2.96 0.00 0.00 6.39 7.64 0.00 0.00 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 S 7.66 4.28 0.00 3.88 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 32 Q 8.38 4.21 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 33 Q 8.83 3.97 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 34 S 8.28 4.05 0.00 3.96 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 35 E 8.01 3.96 0.00 2.06 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 2.28 2.47 0.00 36 I 7.15 3.45 1.92 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 1.62 0.67 0.76 0.00 0.00 37 S 8.64 4.12 0.00 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.58 4.33 0.00 2.20 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 0.00 2.61 2.18 0.00 39 C 8.13 4.00 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.88 3.65 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 1.20 0.00 0.00 0.65 0.00 0.00 41 D 8.01 4.66 0.00 2.99 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 42 E 8.50 3.96 0.00 2.10 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 0.00 2.35 2.41 0.00 43 F 8.14 4.11 0.00 3.32 3.37 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 44 N 9.19 4.31 0.00 3.05 2.87 0.00 0.00 7.25 7.53 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 45 E 8.20 3.95 0.00 2.23 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 0.00 2.35 2.38 0.00 46 L 7.89 3.96 0.00 1.56 1.65 0.96 0.78 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 47 A 7.56 3.79 1.01 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 48 S 8.12 4.13 0.00 4.07 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 49 F 8.71 3.89 0.00 3.17 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 50 N 8.75 4.33 0.00 3.03 2.98 0.00 0.00 6.91 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.19 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0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.20 4.08 0.00 2.10 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 2.42 2.37 0.00 81 M 7.80 4.26 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 82 L 8.32 4.19 0.00 1.86 1.77 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.60 3.98 0.00 2.12 1.86 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 84 E 7.99 3.95 0.00 2.35 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 0.00 2.38 2.40 0.00 85 I 7.92 3.90 2.37 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 1.15 0.00 0.00 86 R 8.70 3.64 0.00 2.10 2.02 0.00 3.05 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.65 0.00 87 A 7.60 3.95 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 88 F 8.03 4.21 0.00 3.37 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.27 4.00 0.00 1.93 1.78 0.81 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.70 4.03 0.00 2.19 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.59 7.81 91 V 7.33 3.49 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 92 R 7.87 4.39 0.00 1.62 1.81 0.00 3.39 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 93 V 6.96 3.64 1.84 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 0.63 0.00 0.00 0.15 0.00 0.00 94 V 8.11 4.00 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 0.65 0.00 0.00 0.86 0.00 0.00 95 T 8.16 4.51 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 1.31 0.00 0.00 96 P 0.00 4.58 0.00 2.17 2.21 0.00 3.28 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 2.09 0.00 97 M 7.88 4.35 0.00 1.66 1.69 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.54 0.00 98 H 7.98 4.79 0.00 3.36 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.43 4.83 0.00 1.90 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.48 7.81 100 E 8.88 4.21 0.00 1.97 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 2.46 0.00 101 T 7.56 4.78 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 102 A 8.02 2.58 0.91 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 0.00 0.00 103 S 7.77 3.89 0.00 3.83 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 0.00 104 D 7.98 4.43 0.00 2.80 2.72 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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0.00 113 Y 8.16 4.07 0.00 3.30 3.26 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 0.00 114 C 8.47 4.16 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.65 3.82 0.00 2.01 1.93 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 116 I 7.68 3.75 1.71 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 1.75 0.83 0.82 0.00 0.00 117 T 7.97 4.09 3.92 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 0.20 0.00 0.00 118 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 0.00 119 L 7.70 4.07 0.00 1.53 1.63 0.89 0.98 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 0.00 120 A 8.28 4.24 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 0.00 121 R 8.42 3.92 0.00 1.88 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2.14 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.70 4.14 0.00 3.10 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 0.00 139 H 8.40 4.10 0.00 3.42 3.59 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.85 4.16 0.00 3.35 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.72 4.92 0.00 4.00 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 0.00 142 E 8.30 3.95 0.00 2.04 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 0.00 2.32 2.37 0.00 143 L 7.38 4.29 0.00 1.77 1.85 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.02 4.51 0.00 1.74 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.24 3.94 0.00 1.88 1.92 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 146 F 7.96 4.78 0.00 3.14 2.82 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 0.00 0.00 0.00 147 E 8.07 4.14 0.00 1.73 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 2.18 2.12 0.00 148 V 8.57 4.32 2.27 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 1.05 0.00 0.00 1.13 0.00 0.00 149 T 8.13 4.68 4.38 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 1.24 0.00 0.00 150 E 8.74 4.29 0.00 2.18 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 0.00 2.41 2.45 0.00 151 N 8.12 5.40 0.00 2.86 2.94 0.00 0.00 6.37 7.66 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 0.00 152 M 8.12 4.41 0.00 1.83 2.23 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 153 F 7.84 4.96 0.00 3.10 2.95 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 0.00 0.00 0.00 154 S 8.52 4.22 0.00 3.54 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 0.00 155 Y 7.25 4.80 0.00 3.15 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 0.00 156 T 7.83 4.09 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 1.25 0.00 0.00 157 E 8.28 3.94 0.00 1.99 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 2.42 2.34 0.00 158 L 8.00 3.87 0.00 1.74 1.98 0.81 0.49 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 0.00 159 L 7.70 3.75 0.00 1.61 1.34 0.46 -0.37 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 0.00 160 K 7.43 4.21 0.00 1.90 1.83 0.00 2.01 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.62 7.81 161 L 7.39 3.86 0.00 1.53 1.55 0.86 0.32 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 0.00 162 N 8.40 4.92 0.00 2.69 2.71 0.00 0.00 6.90 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 0.00 163 L 7.33 4.92 0.00 1.52 1.42 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.50 5.14 0.00 4.09 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 0.00 165 L 8.52 3.85 0.00 1.65 1.71 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 166 R 8.00 3.80 0.00 1.87 1.90 0.00 3.09 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 167 V 7.48 3.54 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 0.94 0.00 0.00 0.96 0.00 0.00 168 I 7.95 3.70 1.93 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 1.51 0.75 0.83 0.00 0.00 169 S 8.56 4.15 0.00 3.96 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 0.00 170 S 8.09 4.24 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.26 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 172 I 7.58 4.12 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 1.44 0.48 0.87 0.00 0.00 173 L 7.77 4.56 0.00 1.63 1.60 0.85 0.52 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 0.00 174 G 7.49 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 0.00 0.00 0.00 175 M 8.42 4.28 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 176 A 8.51 4.21 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 0.00 177 I 7.56 3.75 1.87 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 1.27 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.