NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2716 8.3049 120.2890 55.1810 33.4088 174.5042 2 F 4.8755 9.1300 124.0854 53.7314 42.1923 173.5036 3 D 5.0538 9.1250 125.2590 51.1108 43.7594 176.7463 4 A 3.8822 8.5704 121.9003 55.6364 18.0570 180.1889 5 F 4.1182 7.9725 115.4713 61.0380 39.2988 178.0404 6 T 4.1603 8.7908 109.0480 63.9643 68.4068 176.4511 7 K 3.4043 8.1916 123.4464 59.4280 32.1858 178.9132 8 V 3.6864 7.2928 118.3607 65.7677 31.3466 178.0743 9 V 3.5989 7.8236 118.3747 66.0840 31.3945 178.1733 10 S 4.1403 8.2035 114.0209 61.6595 62.9261 176.4965 11 Q 3.9309 7.7867 121.6101 58.5301 28.3448 178.5854 12 A 4.0818 8.1725 122.0969 55.0298 18.4138 179.2087 13 D 4.2505 8.4671 117.0220 57.8027 41.0870 178.4754 14 T 4.0424 7.7894 115.3664 66.2448 68.5267 175.6904 15 R 4.4154 7.4287 116.1271 54.8835 30.6895 176.4061 16 G 3.9836 8.3781 107.1961 46.7542 0.0000 173.3675 17 E 4.7791 8.1743 116.9075 54.1740 33.0959 175.7722 18 M 4.4512 8.2234 119.6182 53.9439 33.3260 176.6972 19 L 4.2867 8.3332 121.8453 55.2234 42.6324 178.0551 20 S 4.5140 9.2916 117.5079 57.9265 65.3717 175.6806 21 T 3.9457 8.4311 112.7365 64.3849 68.3062 176.3389 22 A 4.0141 7.8631 123.8138 55.2346 18.6370 179.3677 23 Q 3.9708 7.9412 116.0754 59.1506 28.8073 179.1063 24 I 3.8436 7.9394 120.8886 64.1948 37.1153 178.1127 25 D 4.4183 7.9822 119.4979 56.9122 40.5420 178.5745 26 A 3.9958 8.1746 121.5588 55.1765 18.3806 179.7267 27 L 3.9232 7.7575 117.6526 57.9121 41.6982 179.8279 28 S 4.2146 8.0218 115.3233 61.6771 62.6496 176.7925 29 Q 4.0617 8.1791 120.3220 59.3042 28.1781 178.1482 30 M 4.0092 7.5619 119.4740 58.3111 32.3713 178.0617 31 V 3.7607 7.9407 118.5307 65.7503 31.5219 177.7212 32 A 4.1162 7.9485 119.1800 54.0120 18.5584 178.3221 33 E 4.3811 7.7811 116.2740 56.5429 30.0069 177.9146 34 S 4.1082 7.5739 115.7604 61.8378 62.7159 176.1611 35 N 4.2736 8.2779 119.2147 56.1500 38.2130 177.1438 36 K 3.9457 7.8599 119.0957 59.4993 32.2054 179.1279 37 R 3.9091 8.0361 118.3268 59.7442 29.9454 178.3836 38 L 4.1655 8.2714 118.7514 57.7997 41.5664 179.2779 39 D 4.3827 8.3168 118.9042 57.1555 40.7365 178.5513 40 A 4.0501 8.2998 121.5425 55.1191 18.3909 179.8782 41 V 3.5841 7.9360 116.7310 66.2400 31.5939 177.8128 42 N 4.3521 8.3800 116.8274 56.7020 38.5666 177.0936 43 R 3.9363 8.3109 118.9205 59.2586 30.4898 178.8983 44 I 3.9123 7.8169 119.5268 64.6844 37.1774 178.4908 45 T 3.8598 7.8646 116.5253 66.9259 68.1850 176.6796 46 S 4.3994 8.2514 114.8188 60.2996 62.9310 174.7225 47 N 4.9414 7.9093 118.0060 52.4506 39.7084 175.7529 48 A 3.9975 8.1069 122.6965 55.8938 18.2885 180.6221 49 S 4.0753 8.1011 112.4917 62.1825 62.9191 177.1838 50 T 3.9146 7.7984 117.7508 66.6292 68.1865 176.7648 51 I 3.7018 8.1047 122.1896 64.2658 37.0093 178.7690 52 V 3.6285 8.1450 119.5407 66.0306 31.4594 178.2809 53 S 4.1168 8.1301 114.0438 61.5648 62.7656 176.1549 54 N 4.2810 8.2427 119.9828 55.8492 38.2241 177.2564 55 A 3.8693 7.7044 121.9772 54.9709 18.3712 179.5789 56 A 3.3276 8.1075 119.5314 55.0439 18.4875 179.6792 57 R 3.8449 8.1232 117.6507 59.6924 30.1390 178.5948 58 S 4.0267 8.0770 112.8335 61.1625 62.3084 175.6878 59 L 3.8414 7.7508 123.0947 58.4149 41.5703 179.0979 60 F 4.5040 7.5746 116.1006 60.5553 38.8518 177.2585 61 A 4.2004 7.9959 119.8719 55.1518 18.2453 179.1955 62 E 4.2613 8.1294 116.1705 57.7982 31.2139 177.3323 63 Q 4.7726 8.3935 117.5355 51.0764 29.4105 173.8548 64 P 4.4612 0.0000 0.0000 65.5119 31.1927 178.4984 65 Q 4.0203 8.1209 117.3342 59.1872 28.1716 178.3846 66 L 4.0659 7.7538 120.2907 57.2265 41.7785 178.1865 67 I 3.9613 7.5384 109.5254 61.5178 38.8158 176.0103 68 A 4.0948 7.6559 124.2471 50.8137 18.7983 174.8427 69 P 2.9700 0.0000 0.0000 64.0639 31.5262 177.1583 70 G 4.0147 8.6168 111.1778 45.2340 0.0000 173.8100 71 G 4.5485 8.0478 115.0508 44.6242 0.0000 175.4329 *75 A 3.9957 8.6207 127.6923 51.3848 19.6904 176.0905 76 Y 4.3018 7.7554 119.1870 59.1087 39.9060 175.2240 77 T 3.0919 7.3049 113.4680 62.0455 69.1647 172.7729 78 S 4.0157 8.4397 119.4381 61.8670 62.8290 176.9832 79 R 3.8466 7.8384 120.6123 59.6938 29.7797 178.6882 80 R 3.9477 7.6987 117.7500 59.1923 29.9497 178.6854 81 M 3.9406 8.0596 117.8756 58.5837 32.2411 178.0620 82 A 3.9865 8.3952 121.0885 55.1978 18.4527 179.4593 83 A 3.9663 8.0939 119.2405 55.3311 18.5165 179.4366 84 C 4.1094 8.4229 117.5475 62.7246 31.7153 175.7568 85 L 4.0625 8.3436 120.9636 57.7189 41.1648 179.4600 86 R 3.8810 8.1950 118.5953 59.7140 30.0819 178.1418 87 D 4.5085 8.4347 118.8401 57.7743 40.8107 178.8791 88 M 4.1019 8.0493 118.8406 58.5297 31.9334 178.5010 89 E 3.9816 8.2558 119.3987 59.1958 29.7498 178.9107 90 I 3.7146 8.2899 120.4295 64.3574 37.2087 178.4615 91 I 3.7744 7.9664 120.6730 64.2896 36.9899 178.1625 92 L 3.9171 7.9407 121.1748 58.0890 41.9859 178.9121 93 R 3.5069 8.0904 118.8092 59.7185 30.0910 178.2234 94 Y 3.6331 7.7901 116.2007 60.5774 37.7469 178.6901 95 V 3.4470 7.6282 119.8756 66.0188 31.5581 178.2254 96 T 3.9601 7.8106 109.5226 64.8128 68.4567 176.2479 97 Y 4.3425 7.6077 119.3890 60.9634 37.7869 178.1931 98 A 4.0626 7.8518 122.8311 54.4336 18.0908 179.8905 99 V 3.7562 7.5248 115.7582 66.1184 31.7505 177.7206 100 F 4.2720 8.2788 118.8718 61.4675 39.5533 176.7800 101 A 4.1895 8.7671 120.5776 52.7750 17.9069 178.3714 102 G 3.9807 9.4423 105.0908 45.9840 0.0000 172.8595 103 D 4.5985 7.5754 115.6943 51.8828 44.0453 175.5079 104 A 4.0726 8.6367 126.3370 52.5944 18.7900 179.4893 105 S 4.1441 8.5158 114.5573 61.6184 62.8479 177.1787 106 V 3.6319 7.7742 122.3641 64.2279 31.1540 177.9280 107 L 3.9163 7.8150 120.5092 57.8728 41.9735 178.4671 108 E 3.9099 8.4492 118.8098 59.5792 29.2458 179.0971 109 D 4.2724 8.2222 118.0073 57.4161 41.0993 178.6624 110 R 4.1385 7.6724 116.0512 56.8409 30.4720 176.4675 111 C 4.2082 7.3419 115.7271 60.6151 33.5563 174.7786 112 L 4.0315 7.7843 119.2530 56.9527 41.5710 176.4846 113 N 4.3297 8.0260 117.9355 55.5898 38.8929 174.9028 114 G 4.4239 8.8884 114.7258 45.2447 0.0000 174.3072 115 L 3.6774 7.9807 121.9151 57.7302 41.8924 178.7922 116 R 3.9243 7.8370 118.3203 59.6006 30.1809 178.1803 117 E 3.9773 8.1483 117.8032 59.6222 29.4241 179.4806 118 T 3.7975 7.6468 115.7287 66.8790 68.5527 176.4187 119 Y 4.4615 7.7356 118.6684 60.9231 37.6423 178.2181 120 L 3.9681 8.0556 120.1890 58.2819 42.3052 178.6339 121 A 4.1614 7.7819 119.2449 55.2028 18.3672 179.3262 122 L 4.2078 7.9152 116.8413 56.5506 41.7564 178.4771 123 G 4.0965 8.5506 105.9480 45.5685 0.0000 172.9863 124 T 4.1104 7.7269 116.4792 61.4286 69.3456 172.8477 125 P 4.3015 0.0000 0.0000 62.5369 30.8581 176.9202 126 G 3.8857 9.0557 113.7187 47.3684 0.0000 173.5787 127 S 4.1472 8.0831 116.1726 61.3600 62.8651 176.7151 128 S 4.1299 7.9440 118.2678 61.2494 62.4595 176.7004 129 V 3.5363 7.5637 120.3721 65.7733 31.3133 177.7386 130 A 3.9959 8.1886 120.6761 55.1355 18.2636 179.6167 131 V 3.6043 7.8573 116.8864 66.1520 31.5614 178.4108 132 G 3.5653 8.0684 105.2729 47.9201 0.0000 175.7994 133 V 3.8274 8.2100 121.3903 65.5303 31.6070 178.3016 134 G 3.5955 8.6242 105.9729 47.7830 0.0000 175.8686 135 K 3.9611 8.1400 120.9122 59.4062 32.0410 179.4140 136 M 4.0129 8.0331 119.0777 57.9270 31.7396 178.6342 137 K 2.0000 7.5482 119.8090 58.8419 32.3157 178.3240 138 E 3.7624 7.7361 118.9758 59.2975 29.5030 178.7198 139 A 3.9264 7.8577 120.4791 54.9191 18.3419 179.5000 140 A 3.9416 8.2971 119.7124 55.2505 18.4148 179.8374 141 L 3.9019 8.1401 117.6618 57.9072 41.4933 179.5589 142 A 3.9721 7.6182 119.2284 55.2036 18.4545 179.4192 143 I 3.7924 7.7188 118.2044 64.6834 37.0202 178.9014 144 V 3.6403 7.8380 117.7628 65.7880 31.4620 176.9486 145 N 4.7377 8.2378 113.7247 52.5261 38.7919 174.7367 146 D 4.4204 7.3111 122.1710 53.4989 41.4494 174.4280 147 P 4.3601 0.0000 0.0000 64.4817 31.9282 176.5627 148 A 4.0225 8.6151 123.8121 53.1453 18.6564 177.3361 149 G 3.9432 9.4183 109.9439 45.9351 0.0000 173.0368 150 I 4.5447 7.3485 116.7573 58.9403 40.9656 174.4889 151 T 3.9279 8.4635 122.8143 62.8177 68.5589 172.6756 152 P 4.2692 0.0000 0.0000 63.0137 31.6794 175.7770 153 G 3.8220 7.8051 107.5502 45.9737 0.0000 171.2415 154 D 4.7761 8.7136 118.9985 53.0651 41.9501 175.6876 155 C 4.9135 8.4054 124.1215 59.3275 29.4503 176.2842 156 S 4.1065 8.2489 118.4875 61.5621 62.4362 175.9491 157 A 3.9213 7.9014 124.0293 54.6521 18.1936 179.1224 158 L 3.8704 7.9075 118.1460 58.2066 42.1738 178.7925 159 A 3.9965 8.3766 121.1069 55.3690 18.4228 179.5150 160 S 4.0346 8.2749 111.7454 61.3586 62.1448 176.1073 161 E 3.6539 7.8510 121.2003 59.1853 29.8415 178.4270 162 I 3.8709 8.0907 120.0457 64.4409 37.2029 178.0985 163 A 4.2018 8.4339 122.1869 55.4209 18.1702 179.8789 164 S 4.1006 7.8385 112.0156 61.6027 62.9543 176.4603 165 Y 4.4094 7.5479 120.1198 60.9439 37.5339 177.9987 166 F 4.1403 8.2537 118.2732 60.7954 39.0427 177.2646 167 D 4.4463 8.5035 118.4865 57.3250 40.5699 179.0629 168 R 3.9472 8.1140 118.4119 59.2645 29.9476 178.8586 169 A 4.0440 8.0656 120.4306 55.4629 18.1486 179.4458 170 C 4.0750 8.5432 115.2571 63.0696 28.0231 176.3409 171 A 4.0389 8.2949 121.2055 54.8433 18.0087 179.2005 172 A 4.1301 7.9753 118.4313 54.2408 18.6484 179.0656 173 V 4.3393 7.3935 109.0623 61.6618 32.6795 176.2561 174 S 4.3509 7.7395 119.4054 58.7388 62.7285 173.8601 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 4.27 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 F 9.13 4.88 0.00 3.24 2.86 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 3 D 9.13 5.05 0.00 3.11 2.86 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 4 A 8.57 3.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.97 4.12 0.00 3.25 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 6 T 8.79 4.16 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 1.34 0.00 0.00 7 K 8.19 3.40 0.00 1.98 1.93 0.00 0.91 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.33 7.81 8 V 7.29 3.69 2.22 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 1.01 0.00 0.00 0.90 0.00 0.00 9 V 7.82 3.60 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 1.13 0.00 0.00 0.98 0.00 0.00 10 S 8.20 4.14 0.00 4.11 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 0.00 11 Q 7.79 3.93 0.00 2.15 2.13 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 2.25 2.44 0.00 12 A 8.17 4.08 1.45 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 13 D 8.47 4.25 0.00 2.87 2.83 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 14 T 7.79 4.04 4.41 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 1.21 0.00 0.00 15 R 7.43 4.42 0.00 2.00 1.96 0.00 3.31 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 16 G 8.38 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 17 E 8.17 4.78 0.00 1.91 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 2.22 2.35 0.00 18 M 8.22 4.45 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 19 L 8.33 4.29 0.00 1.64 1.63 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.29 4.51 0.00 4.00 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 21 T 8.43 3.95 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 22 A 7.86 4.01 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 23 Q 7.94 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 24 I 7.94 3.84 1.89 0.00 0.00 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 1.55 1.23 0.93 0.00 0.00 25 D 7.98 4.42 0.00 2.80 2.71 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 26 A 8.17 4.00 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 27 L 7.76 3.92 0.00 1.90 1.88 1.08 0.73 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 28 S 8.02 4.21 0.00 4.10 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 29 Q 8.18 4.06 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 30 M 7.56 4.01 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 31 V 7.94 3.76 2.36 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 1.01 0.00 0.00 1.18 0.00 0.00 32 A 7.95 4.12 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 33 E 7.78 4.38 0.00 2.05 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 2.46 2.43 0.00 34 S 7.57 4.11 0.00 3.97 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 35 N 8.28 4.27 0.00 2.80 2.94 0.00 0.00 7.14 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 36 K 7.86 3.95 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 R 8.04 3.91 0.00 1.87 2.13 0.00 3.08 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 38 L 8.27 4.17 0.00 1.89 1.78 0.95 1.47 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 39 D 8.32 4.38 0.00 2.89 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 40 A 8.30 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.94 3.58 2.38 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 1.10 0.00 0.00 1.19 0.00 0.00 42 N 8.38 4.35 0.00 2.88 2.97 0.00 0.00 7.29 7.27 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 43 R 8.31 3.94 0.00 1.88 2.00 0.00 3.24 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 44 I 7.82 3.91 1.93 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 1.61 1.01 1.00 0.00 0.00 45 T 7.86 3.86 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 1.19 0.00 0.00 46 S 8.25 4.40 0.00 3.87 3.93 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 47 N 7.91 4.94 0.00 2.81 2.76 0.00 0.00 6.69 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 48 A 8.11 4.00 1.35 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 57 R 8.12 3.84 0.00 1.95 2.07 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 58 S 8.08 4.03 0.00 3.87 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 59 L 7.75 3.84 0.00 1.64 1.29 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.57 4.50 0.00 3.07 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 61 A 8.00 4.20 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 62 E 8.13 4.26 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 63 Q 8.39 4.77 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 64 P 0.00 4.46 0.00 2.27 2.34 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 65 Q 8.12 4.02 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 66 L 7.75 4.07 0.00 1.84 1.83 1.10 0.78 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 67 I 7.54 3.96 1.70 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 1.38 0.53 0.18 0.00 0.00 68 A 7.66 4.09 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 69 P 0.00 2.97 0.00 1.70 1.39 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 70 G 8.62 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.05 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 A 8.62 4.00 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 76 Y 7.76 4.30 0.00 3.12 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 77 T 7.30 3.09 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 0.64 0.00 0.00 78 S 8.44 4.02 0.00 3.81 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 79 R 7.84 3.85 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 R 7.70 3.95 0.00 2.01 1.95 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 81 M 8.06 3.94 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 82 A 8.40 3.99 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 83 A 8.09 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.42 4.11 0.00 3.12 3.23 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 85 L 8.34 4.06 0.00 1.90 1.76 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.19 3.88 0.00 2.00 2.14 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 87 D 8.43 4.51 0.00 3.06 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 88 M 8.05 4.10 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 89 E 8.26 3.98 0.00 2.06 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 2.27 2.33 0.00 90 I 8.29 3.71 2.09 0.00 0.00 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 1.58 0.63 1.14 0.00 0.00 91 I 7.97 3.77 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.97 0.00 0.00 92 L 7.94 3.92 0.00 1.84 1.83 1.09 0.94 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 93 R 8.09 3.51 0.00 1.70 1.72 0.00 2.91 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 94 Y 7.79 3.63 0.00 2.99 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 95 V 7.63 3.45 1.91 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 0.43 0.00 0.00 0.57 0.00 0.00 96 T 7.81 3.96 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 1.20 0.00 0.00 97 Y 7.61 4.34 0.00 3.18 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 98 A 7.85 4.06 0.54 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 0.00 0.00 99 V 7.52 3.76 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 0.96 0.00 0.00 1.19 0.00 0.00 100 F 8.28 4.27 0.00 3.12 3.27 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 0.00 101 A 8.77 4.19 1.42 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 0.00 110 R 7.67 4.14 0.00 1.69 1.83 0.00 3.30 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 111 C 7.34 4.21 0.00 1.51 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 0.00 112 L 7.78 4.03 0.00 1.72 1.66 1.03 0.35 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 0.00 113 N 8.03 4.33 0.00 2.79 2.69 0.00 0.00 7.41 8.82 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 0.00 114 G 8.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.98 3.68 0.00 1.80 1.64 0.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.84 3.92 0.00 2.18 1.91 0.00 3.26 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 117 E 8.15 3.98 0.00 2.22 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 2.39 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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 0.00 0.00 127 S 8.08 4.15 0.00 4.06 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 0.00 128 S 7.94 4.13 0.00 4.04 3.95 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 0.00 129 V 7.56 3.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.47 0.00 0.00 130 A 8.19 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.86 3.60 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 0.96 0.00 0.00 0.95 0.00 0.00 132 G 8.07 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.21 3.83 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 1.24 0.00 0.00 1.10 0.00 0.00 134 G 8.62 3.60 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 0.00 0.00 0.00 0.00 135 K 8.14 3.96 0.00 1.92 1.80 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.58 7.81 136 M 8.03 4.01 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.72 0.00 137 K 7.55 2.00 0.00 1.01 1.69 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 1.00 7.81 138 E 7.74 3.76 0.00 2.00 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 2.24 2.27 0.00 139 A 7.86 3.93 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 0.00 140 A 8.30 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.14 3.90 0.00 1.65 1.70 0.86 0.84 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 0.00 142 A 7.62 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.79 2.06 0.00 0.00 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 1.41 0.79 0.93 0.00 0.00 144 V 7.84 3.64 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 1.06 0.00 0.00 145 N 8.24 4.74 0.00 2.78 2.84 0.00 0.00 6.99 8.23 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 0.00 146 D 7.31 4.42 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.22 2.16 0.00 3.82 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 1.98 1.96 0.00 148 A 8.62 4.02 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 0.00 149 G 9.42 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 0.00 150 I 7.35 4.54 1.88 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 1.43 0.80 0.96 0.00 0.00 151 T 8.46 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 P 0.00 4.27 0.00 2.17 2.07 0.00 3.83 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 1.99 1.98 0.00 153 G 7.81 3.82 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 0.00 0.00 0.00 154 D 8.71 4.78 0.00 2.62 2.58 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 0.00 155 C 8.41 4.91 0.00 2.99 2.86 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 0.00 156 S 8.25 4.11 0.00 3.98 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 0.00 157 A 7.90 3.92 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 0.00 158 L 7.91 3.87 0.00 1.77 1.86 0.95 1.24 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 0.00 159 A 8.38 4.00 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 0.00 160 S 8.27 4.03 0.00 3.93 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 0.00 161 E 7.85 3.65 0.00 2.03 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 1.87 2.14 0.00 162 I 8.09 3.87 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.05 1.21 0.00 0.00 163 A 8.43 4.20 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 0.00 164 S 7.84 4.10 0.00 3.99 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 0.00 165 Y 7.55 4.41 0.00 3.07 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 0.00 166 F 8.25 4.14 0.00 3.30 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 0.00 167 D 8.50 4.45 0.00 2.89 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 0.00 168 R 8.11 3.95 0.00 2.20 2.04 0.00 3.37 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 169 A 8.07 4.04 1.45 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 0.00 170 C 8.54 4.07 0.00 3.19 3.04 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 0.00 0.00 0.00 171 A 8.29 4.04 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 0.00 172 A 7.98 4.13 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 0.00 173 V 7.39 4.34 2.29 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 1.30 0.00 0.00 1.14 0.00 0.00 174 S 7.74 4.35 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 * Residues marked with a * may have inaccurate shift predictions.