NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3037 8.3049 120.3509 53.5792 34.2155 174.4092 2 L 3.8882 8.0578 120.2213 53.9847 41.3132 172.4288 3 K 4.2713 8.5771 123.2461 56.4347 34.3355 175.2853 4 Q 4.9091 8.9248 126.1064 54.7677 30.1766 174.5103 5 V 4.7239 8.6913 127.2090 61.2596 34.7072 173.9598 6 E 4.7786 9.0935 126.3286 54.9320 31.6365 175.0545 7 I 4.9063 8.2183 124.6226 59.4212 40.8567 174.2939 8 F 5.4954 9.4281 126.1775 55.9493 41.6342 174.7174 9 T 5.3132 8.4294 112.3746 60.8210 72.1712 172.3133 10 D 4.5687 8.2861 120.1483 54.0308 45.4915 174.8947 11 G 4.6960 8.9265 109.0687 44.5341 0.0000 172.0148 12 S 4.8341 9.4325 116.0564 56.5014 65.8603 172.3432 13 C 5.1134 8.5995 126.1711 57.8075 34.8016 173.9938 14 L 4.1947 8.8812 126.6226 54.4767 40.9193 177.2940 15 G 4.0454 9.1036 110.9167 44.3625 0.0000 170.3181 16 N 4.7917 8.0505 116.0370 51.0318 40.4011 172.9201 17 P 4.5912 0.0000 0.0000 62.9804 32.0376 175.2401 18 G 4.5533 7.6073 102.0147 43.1141 0.0000 170.4571 19 P 4.8406 0.0000 0.0000 62.5584 32.4978 175.8341 20 G 4.5201 9.0815 109.5893 45.4887 0.0000 170.9482 21 G 4.6756 9.1442 106.4968 45.6248 0.0000 171.6839 22 Y 5.5253 8.4125 117.0802 55.1302 41.9803 174.7359 23 G 4.4769 9.3653 106.4656 44.7312 0.0000 171.4859 24 A 5.3301 9.4258 125.4574 50.3428 23.1466 174.7976 25 I 5.0691 9.2823 123.0748 59.5055 40.7733 174.4940 26 L 5.3521 9.2271 127.1965 53.0395 44.6151 175.6871 27 R 5.2288 9.3431 122.1704 54.6091 33.9818 173.9270 28 Y 4.8926 8.8546 124.4957 56.1724 42.0413 175.4361 29 R 3.5178 9.3342 127.6660 57.1387 27.9224 175.8233 30 G 4.2856 8.2074 107.3159 45.7279 0.0000 174.7110 31 R 4.1091 7.5860 117.8212 56.4338 30.7083 175.0261 32 E 5.3491 8.3139 119.7023 54.7889 33.1849 174.5263 33 K 4.6847 9.1250 123.4314 55.0349 36.5948 175.4544 34 T 5.2261 8.1711 119.3300 61.8923 72.2393 173.3067 35 F 5.0038 9.0545 121.8519 56.3196 43.6321 173.7113 36 S 4.7113 8.7831 113.1337 58.5626 65.3515 173.9663 37 A 4.2303 6.9527 123.8140 50.9103 22.3459 175.1705 38 G 4.3497 8.2460 107.8240 44.5716 0.0000 171.5280 39 Y 5.2037 9.2903 122.0261 56.0523 40.3367 176.8000 40 T 3.9178 9.0351 114.7913 64.5404 69.8819 173.9831 41 R 4.5060 7.7579 121.9927 55.0306 32.4884 173.6155 42 T 3.8336 7.9509 121.3564 61.7158 71.4645 171.7929 43 T 4.4958 7.9136 109.3574 59.0197 72.2841 174.1861 44 N 4.2696 8.6655 119.4944 56.8822 38.8854 176.4100 45 N 4.2722 7.9922 117.2766 56.6337 38.6597 177.4906 46 R 3.9228 7.8254 118.9126 59.4087 30.0491 179.1093 47 M 4.1268 7.9394 118.2708 58.1958 32.0267 178.6046 48 E 4.0661 8.3967 119.0524 59.2949 29.5533 179.4349 49 L 3.8775 7.8736 119.0096 58.0291 41.6269 179.0503 50 M 3.7327 7.9913 117.8487 58.5048 32.1042 178.0453 51 A 3.6343 7.8642 120.5593 54.9616 18.5030 179.5361 52 A 3.8847 7.5267 118.3542 55.2982 18.4495 179.6057 53 I 3.5566 7.7876 118.6450 64.7445 37.0949 178.7606 54 V 3.3194 7.7380 118.7058 65.8300 31.0640 177.8986 55 A 3.6652 7.3437 118.8601 55.0709 18.6319 179.3519 56 L 3.9467 8.0232 117.7497 57.9075 41.5036 179.5691 57 E 4.0216 8.1585 117.2124 58.8056 29.3973 178.8600 58 A 4.0739 7.3155 120.1593 53.2501 18.5546 177.6214 59 L 4.1490 7.1335 118.3227 54.3418 42.3421 177.0850 60 K 4.0409 8.7353 124.0235 59.3358 33.1750 177.2784 61 E 4.3607 7.6176 116.4730 53.9150 31.3388 175.0647 62 H 4.5566 8.2828 116.7822 56.4485 29.2361 174.8788 63 C 5.0038 8.7932 118.8167 58.0680 33.3739 172.5036 64 E 4.7293 8.8929 120.5409 55.4506 30.7208 175.6450 65 V 4.5874 9.0611 125.0510 61.0320 34.7662 174.3951 66 I 4.5301 8.3690 128.8187 59.5982 38.6411 173.8409 67 L 4.4189 7.8038 130.1761 53.4692 43.4957 174.8755 68 S 5.5476 8.8743 122.5344 56.1810 64.7102 172.6099 69 T 4.9355 8.4240 119.2129 61.3822 70.4775 172.9500 70 D 5.1782 8.8759 125.7731 52.5370 40.1784 176.6624 71 S 4.2728 8.0298 116.1919 58.7921 63.0323 174.4244 72 Q 3.8774 8.7956 130.9130 59.1304 28.9191 176.9749 73 Y 4.3200 8.1125 120.3243 60.8907 38.8761 178.0442 74 V 3.7190 8.0718 118.9337 65.9902 31.6463 177.8705 75 R 2.5100 7.6464 118.2410 58.9252 29.6618 178.4588 76 Q 3.2387 7.8338 118.0384 58.5841 28.3704 179.0003 77 G 2.8818 7.3106 106.5032 47.6632 0.0000 175.7780 78 I 3.5207 7.4867 121.5897 63.1831 37.1845 177.5856 79 T 4.2911 7.0370 107.1775 61.6080 69.2976 174.9046 80 Q 4.1118 7.7636 119.1057 55.2333 31.6540 176.5552 81 W 3.9881 6.8062 115.7687 57.3936 30.7783 177.2187 82 I 3.3395 7.7350 119.5033 64.5640 37.1845 177.1946 83 H 4.0685 7.7633 118.0736 59.2070 29.7931 176.9337 84 N 4.0148 7.5948 117.6597 55.9779 38.1693 176.8900 85 W 4.5427 7.6044 120.4105 60.0015 29.1186 178.4117 86 K 3.0373 7.0562 117.6456 59.4353 31.3102 178.9683 87 A 3.9339 7.2146 118.7530 54.9468 18.2136 178.8988 88 R 4.4113 7.6519 113.5023 55.3541 30.4356 176.6528 89 G 3.7822 8.6846 106.8645 46.6558 0.0000 173.7544 90 W 3.3881 9.0099 114.5180 56.7739 25.8801 174.4836 91 K 4.6768 7.4339 115.6677 54.8097 36.2857 177.8661 92 T 4.4184 8.1972 111.6751 60.7063 70.4998 173.1936 93 A 3.9099 8.0084 121.9750 56.4355 18.6904 179.0324 94 D 4.6740 7.8228 115.7357 52.8496 39.4725 177.1733 95 K 3.8208 8.6362 116.3325 58.3294 32.5961 175.4347 96 K 4.1157 7.6206 118.9156 55.8998 32.5526 174.8462 97 P 4.5787 0.0000 0.0000 62.6735 31.9960 176.6263 98 V 3.6926 7.9315 115.0812 60.0007 32.3619 175.8708 99 K 3.9596 8.4063 125.7616 57.8212 32.6568 175.8509 100 N 4.4409 9.0345 121.8316 54.1883 36.4055 176.7168 101 V 3.6127 7.5204 121.4918 65.0957 30.6438 177.1156 102 D 4.2040 7.9388 119.1004 56.3238 39.1625 178.5076 103 L 3.9788 7.7107 119.9590 57.0559 41.7315 179.1662 104 W 4.3985 8.3263 119.1429 59.9660 29.0492 178.6359 105 Q 3.4129 7.8977 118.0292 58.6676 28.1053 178.7152 106 R 3.8806 7.6468 119.8537 59.1354 30.0091 178.3736 107 L 4.0023 8.2680 120.5011 58.2412 42.3007 178.3198 108 D 4.5797 8.7592 118.0384 57.4286 40.9224 178.2453 109 A 4.0594 7.9534 120.0867 55.1755 18.7462 179.1628 110 A 4.1212 8.0206 119.1796 55.2992 18.4976 179.8228 111 L 4.1542 8.5089 118.0109 57.8481 41.5616 179.5045 112 G 3.8845 7.9748 102.9283 46.3414 0.0000 174.5060 113 Q 4.4357 7.7695 118.9225 55.8833 29.4156 174.2065 114 H 4.9866 7.6335 115.8374 54.3246 33.9711 172.6117 115 Q 4.4634 8.9284 118.7322 54.9977 29.8184 175.1861 116 I 4.6054 8.3052 125.1166 59.2268 39.8684 175.4089 117 K 4.3729 8.7784 127.9195 54.2243 34.1759 174.8721 118 W 4.1951 8.6013 127.7976 56.2422 30.2086 176.1447 119 E 4.2805 8.7411 125.1506 54.0230 31.0650 174.2317 120 W 5.4752 8.0494 125.9148 55.6336 29.9056 176.7336 121 V 4.2714 8.3463 117.9189 59.8080 35.4933 176.8628 *126 G 3.6102 8.3776 107.1058 47.3342 0.0000 171.4724 127 H 5.0852 7.5453 114.5562 52.5046 34.1257 172.5136 128 P 4.2098 0.0000 0.0000 65.7729 30.9388 178.7329 129 E 3.5982 7.8181 116.8474 59.4720 29.2179 178.9696 130 N 4.4155 7.9137 115.6110 56.4683 38.7197 177.1048 131 E 3.9806 7.8925 120.0253 59.5563 29.5914 179.5107 132 R 3.9723 8.4979 118.6897 59.0394 30.0419 178.5243 133 C 4.1739 7.8077 116.6521 62.9912 28.2829 175.4319 134 D 4.4594 8.1215 120.4969 57.3357 40.3086 178.5643 135 E 3.8929 8.3008 119.6018 59.3323 29.6841 178.7847 136 L 3.9375 7.9294 118.6836 57.8631 41.7175 179.4491 137 A 4.1227 8.5935 120.8539 55.1814 18.3930 179.9109 138 R 3.8415 8.5835 116.6455 59.3814 29.9747 178.9995 139 A 3.9645 7.9702 119.0448 55.2255 18.6501 179.1619 140 A 3.9942 8.1442 118.9099 55.2972 18.2176 179.6851 141 A 3.9893 7.8319 118.1679 55.4544 18.5558 179.0589 142 M 4.3100 7.7655 114.2657 56.1784 32.9884 175.9737 143 N 5.0185 8.0170 118.1524 51.1909 39.3857 172.5052 144 P 4.4029 0.0000 0.0000 63.8662 31.9109 176.5565 145 T 4.5831 8.4751 106.2348 61.3957 71.6782 173.4541 146 L 4.6501 7.4804 121.9442 52.8278 44.8347 174.6178 147 E 4.7695 8.4573 121.3440 54.3763 30.6586 175.9925 148 D 4.7496 8.7568 126.5416 54.1506 39.4888 176.3707 149 T 4.0293 8.5205 122.0462 65.1481 68.8221 175.4499 150 G 3.9084 7.9878 108.7807 45.6131 0.0000 173.9899 151 Y 4.3546 7.5768 120.3306 58.2807 39.1556 175.6225 152 Q 4.1712 7.6689 123.6386 53.4497 32.4092 175.5060 153 V 3.4487 8.0197 120.4911 63.1894 31.4516 175.5285 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 4.30 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 L 8.06 3.89 0.00 2.06 1.83 0.92 0.63 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 3 K 8.58 4.27 0.00 1.40 1.06 0.00 1.04 0.00 0.00 1.55 0.00 0.00 2.52 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.45 1.40 7.81 4 Q 8.92 4.91 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 5 V 8.69 4.72 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 0.97 0.00 0.00 0.81 0.00 0.00 6 E 9.09 4.78 0.00 2.04 1.48 0.00 0.00 0.00 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 2.24 0.00 7 I 8.22 4.91 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.80 0.00 0.00 8 F 9.43 5.50 0.00 2.95 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 9 T 8.43 5.31 4.34 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 1.25 0.00 0.00 10 D 8.29 4.57 0.00 2.76 2.64 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 0.00 0.00 0.00 0.00 11 G 8.93 4.70 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 0.00 0.00 0.00 12 S 9.43 4.83 0.00 3.84 3.69 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 0.00 0.00 0.00 0.00 13 C 8.60 5.11 0.00 2.94 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 14 L 8.88 4.19 0.00 1.64 1.61 0.92 0.78 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 15 G 9.10 4.05 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 0.00 0.00 0.00 16 N 8.05 4.79 0.00 2.59 2.69 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 17 P 0.00 4.59 0.00 1.95 1.82 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 18 G 7.61 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 19 P 0.00 4.84 0.00 2.08 2.00 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 20 G 9.08 4.52 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 0.00 21 G 9.14 4.68 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 0.00 0.00 0.00 22 Y 8.41 5.53 0.00 3.11 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 23 G 9.37 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.43 5.33 1.42 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 25 I 9.28 5.07 2.13 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 1.30 0.75 1.05 0.00 0.00 26 L 9.23 5.35 0.00 1.75 1.63 1.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.34 5.23 0.00 1.86 1.89 0.00 3.12 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 28 Y 8.85 4.89 0.00 2.93 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 29 R 9.33 3.52 0.00 1.32 1.61 0.00 2.99 0.00 0.00 2.79 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 30 G 8.21 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 0.00 0.00 0.00 31 R 7.59 4.11 0.00 2.09 1.93 0.00 3.25 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 32 E 8.31 5.35 0.00 1.93 1.76 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 2.31 2.39 0.00 33 K 9.13 4.68 0.00 1.78 1.46 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.43 7.81 34 T 8.17 5.23 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 1.22 0.00 0.00 35 F 9.05 5.00 0.00 3.12 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 36 S 8.78 4.71 0.00 3.79 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 37 A 6.95 4.23 0.94 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 38 G 8.25 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 0.00 0.00 0.00 0.00 39 Y 9.29 5.20 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.04 3.92 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 1.26 0.00 0.00 41 R 7.76 4.51 0.00 1.81 1.88 0.00 3.37 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 42 T 7.95 3.83 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 T 7.91 4.50 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 1.19 0.00 0.00 44 N 8.67 4.27 0.00 2.84 2.82 0.00 0.00 6.87 6.71 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 45 N 7.99 4.27 0.00 2.52 2.28 0.00 0.00 7.11 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 46 R 7.83 3.92 0.00 1.78 1.85 0.00 3.27 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 47 M 7.94 4.13 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.83 0.00 48 E 8.40 4.07 0.00 2.28 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 2.43 2.66 0.00 49 L 7.87 3.88 0.00 1.67 1.43 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.99 3.73 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.56 0.00 51 A 7.86 3.63 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 3.88 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.79 3.56 1.85 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 1.37 0.71 0.88 0.00 0.00 54 V 7.74 3.32 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 0.78 0.00 0.00 0.67 0.00 0.00 55 A 7.34 3.67 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 56 L 8.02 3.95 0.00 1.82 1.68 0.90 1.03 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 57 E 8.16 4.02 0.00 1.81 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 2.31 2.49 0.00 58 A 7.32 4.07 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 59 L 7.13 4.15 0.00 1.73 1.57 0.57 0.65 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 60 K 8.74 4.04 0.00 1.83 1.91 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.38 7.81 61 E 7.62 4.36 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 62 H 8.28 4.56 0.00 3.04 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.79 5.00 0.00 2.73 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 64 E 8.89 4.73 0.00 1.90 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 0.00 2.26 2.23 0.00 65 V 9.06 4.59 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 0.60 0.00 0.00 0.71 0.00 0.00 66 I 8.37 4.53 1.67 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 0.99 0.54 0.73 0.00 0.00 67 L 7.80 4.42 0.00 0.94 0.40 0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.87 5.55 0.00 3.70 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.42 4.94 4.46 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 1.70 0.00 0.00 70 D 8.88 5.18 0.00 2.90 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 71 S 8.03 4.27 0.00 4.12 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 72 Q 8.80 3.88 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 73 Y 8.11 4.32 0.00 3.19 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 74 V 8.07 3.72 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 1.16 0.00 0.00 0.97 0.00 0.00 75 R 7.65 2.51 0.00 0.71 1.51 0.00 2.25 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 76 Q 7.83 3.24 0.00 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 1.96 2.33 0.00 77 G 7.31 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 0.00 0.00 0.00 78 I 7.49 3.52 1.47 0.00 0.00 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 1.73 -0.06 0.55 0.00 0.00 79 T 7.04 4.29 4.03 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 1.16 0.00 0.00 80 Q 7.76 4.11 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.76 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 81 W 6.81 3.99 0.00 1.78 1.74 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 82 I 7.73 3.34 1.83 0.00 0.00 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 1.54 1.22 0.84 0.00 0.00 83 H 7.76 4.07 0.00 3.16 3.13 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.59 4.01 0.00 2.57 2.67 0.00 0.00 7.08 7.68 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 85 W 7.60 4.54 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.06 3.04 0.00 1.47 1.66 0.00 1.99 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.96 0.85 7.81 87 A 7.21 3.93 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 88 R 7.65 4.41 0.00 2.02 1.96 0.00 3.47 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 89 G 8.68 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 90 W 9.01 3.39 0.00 3.30 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.43 4.68 0.00 1.70 1.66 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.38 7.81 92 T 8.20 4.42 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 1.21 0.00 0.00 93 A 8.01 3.91 1.26 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 0.00 0.00 94 D 7.82 4.67 0.00 2.79 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 95 K 8.64 3.82 0.00 1.98 2.00 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 96 K 7.62 4.12 0.00 1.97 1.74 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 97 P 0.00 4.58 0.00 1.99 1.94 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 2.08 0.00 98 V 7.93 3.69 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 0.00 0.00 0.04 0.00 0.00 0.63 0.00 0.00 99 K 8.41 3.96 0.00 1.74 1.84 0.00 2.00 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.53 7.81 100 N 9.03 4.44 0.00 3.19 2.88 0.00 0.00 6.87 7.68 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 0.00 101 V 7.52 3.61 2.15 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 0.77 0.00 0.00 0.75 0.00 0.00 102 D 7.94 4.20 0.00 2.81 2.90 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 0.00 103 L 7.71 3.98 0.00 1.63 1.54 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.33 4.40 0.00 3.44 3.69 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 0.00 0.00 0.00 0.00 105 Q 7.90 3.41 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.65 3.88 0.00 1.93 1.99 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 107 L 8.27 4.00 0.00 1.82 1.99 1.09 1.55 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 0.00 108 D 8.76 4.58 0.00 3.36 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 0.00 109 A 7.95 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.02 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.51 4.15 0.00 2.04 1.90 1.36 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.77 4.44 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 114 H 7.63 4.99 0.00 2.96 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.93 4.46 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 116 I 8.31 4.61 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.06 0.00 0.00 117 K 8.78 4.37 0.00 1.65 1.51 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.33 7.81 118 W 8.60 4.20 0.00 2.81 1.74 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 0.00 119 E 8.74 4.28 0.00 1.79 1.68 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 2.18 2.19 0.00 120 W 8.05 5.48 0.00 3.27 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 0.00 121 V 8.35 4.27 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 1.03 0.00 0.00 1.10 0.00 0.00 *126 G 8.38 3.61 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 0.00 127 H 7.55 5.09 0.00 3.13 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.21 0.00 2.06 2.06 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 129 E 7.82 3.60 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.91 0.00 130 N 7.91 4.42 0.00 2.94 2.95 0.00 0.00 7.02 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 0.00 131 E 7.89 3.98 0.00 2.12 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 2.47 0.00 132 R 8.50 3.97 0.00 1.83 2.07 0.00 3.07 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 7.81 4.17 0.00 3.31 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 0.00 134 D 8.12 4.46 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 0.00 135 E 8.30 3.89 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 136 L 7.93 3.94 0.00 1.97 1.71 0.96 0.77 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 0.00 137 A 8.59 4.12 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 0.00 138 R 8.58 3.84 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 139 A 7.97 3.96 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 0.00 140 A 8.14 3.99 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 0.00 141 A 7.83 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 0.00 142 M 7.77 4.31 0.00 2.03 2.11 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 2.63 2.82 0.00 143 N 8.02 5.02 0.00 2.59 2.64 0.00 0.00 7.12 7.20 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 0.00 144 P 0.00 4.40 0.00 2.24 2.15 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 145 T 8.48 4.58 4.18 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 1.18 0.00 0.00 146 L 7.48 4.65 0.00 0.92 1.27 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.46 4.77 0.00 1.93 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 0.00 2.24 2.40 0.00 148 D 8.76 4.75 0.00 2.71 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 0.00 149 T 8.52 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 G 7.99 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 0.00 0.00 0.00 151 Y 7.58 4.35 0.00 2.99 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 0.00 152 Q 7.67 4.17 0.00 1.85 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.13 2.45 0.00 153 V 8.02 3.45 1.96 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 0.71 0.00 0.00 0.82 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.