NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 3.7899 8.0427 120.8630 55.8261 42.4398 178.6032 5 T 3.6860 7.5958 114.0989 63.2157 67.0199 172.4311 6 E 4.0334 8.1441 121.2507 59.0975 30.2627 177.9905 7 V 3.8301 7.6736 117.8558 66.2776 31.5504 177.1083 8 E 4.0186 8.6011 119.0571 60.0592 29.3274 178.9848 9 T 4.0213 7.7047 111.8815 65.0846 67.0802 175.8670 10 Y 4.1290 7.8959 117.9025 60.9028 38.2037 177.7546 11 V 3.8371 8.3751 119.6512 66.2013 31.6878 178.1820 12 L 4.0786 8.5403 119.2010 57.4890 41.1905 179.4719 13 S 4.2623 7.8668 113.7774 60.3382 62.9406 175.4373 14 I 4.3386 7.2419 114.9871 59.7512 37.9336 175.0250 15 I 4.2707 7.1880 122.5447 59.4241 37.9922 174.1964 16 P 4.4563 0.0000 0.0000 62.2400 31.8885 176.5052 17 S 4.1954 8.3757 116.5349 58.8473 62.9866 174.1056 18 G 4.3257 8.5709 108.6017 42.7394 0.0000 172.5409 19 P 4.3780 0.0000 0.0000 64.6930 30.9412 178.7810 20 L 4.0640 7.9108 119.5893 57.9252 42.0137 178.3059 21 K 3.8721 7.8042 118.6009 59.7005 31.9784 178.5135 22 A 3.9923 7.9770 120.2328 55.2207 18.4389 179.0846 23 E 3.9171 8.3582 117.1151 59.7715 29.5858 179.8886 24 I 3.9426 8.3391 119.6879 64.3088 37.2552 178.1631 25 A 3.9321 8.2782 121.9598 55.2585 18.2574 179.2462 26 Q 3.8351 8.2532 118.1362 59.6906 29.0850 179.1134 27 R 3.8207 7.8995 118.7982 58.9615 29.9455 178.9943 28 L 4.0554 8.4515 119.3519 57.8100 41.5367 179.4755 29 E 3.6354 7.8893 118.7285 59.2644 29.3790 179.5683 30 S 4.1616 7.9477 114.2433 61.1087 63.1407 176.6775 31 V 3.7519 7.8490 123.2622 65.7335 31.1594 177.9107 32 F 4.2481 8.4471 116.3420 60.8372 38.9630 177.5715 33 A 4.3605 8.2666 117.1814 52.1451 18.2189 177.7318 34 G 3.9242 8.3040 105.5536 46.4175 0.0000 175.4880 35 K 4.0628 8.5935 121.3613 57.8567 32.5254 176.9369 36 N 4.6758 7.8472 118.3979 52.4208 39.3938 174.4554 37 T 4.5523 8.4005 118.7967 61.9447 68.6368 174.7887 38 D 4.6254 7.9190 121.6559 53.1742 38.9009 175.6317 39 L 3.9403 8.0021 125.5417 57.7083 42.3652 177.9330 40 E 4.0051 8.1129 117.6196 59.5013 29.6160 178.7896 41 A 4.0050 8.2698 120.2552 55.1417 18.3167 179.3499 42 L 3.8199 7.8625 118.5994 58.6226 42.2433 179.0587 43 M 4.3296 8.7177 119.2268 58.6425 31.8022 178.6663 44 E 3.9883 8.5199 118.7977 58.9377 29.3742 179.1142 45 W 4.1015 8.1480 127.4818 60.4309 31.1164 177.3050 46 L 3.8986 8.7118 120.5781 58.1980 41.3737 178.7274 47 K 3.0435 8.0783 118.6571 58.8405 31.8667 177.6626 48 T 4.2405 6.8553 107.2864 60.4843 69.3914 174.7578 49 R 3.7596 6.9803 121.4873 55.4365 30.6120 175.1008 50 P 4.4515 0.0000 0.0000 62.7321 33.2705 175.3537 51 I 3.6346 8.5119 122.5658 62.1513 35.2188 174.7162 52 L 4.0586 7.6338 118.5742 54.4760 42.0754 178.0312 53 S 4.3259 8.5271 118.5799 57.6728 65.0338 173.4016 54 P 4.2638 0.0000 0.0000 65.8779 31.1131 178.6105 55 L 3.9227 7.9050 118.4382 58.6198 41.9760 179.1119 56 T 3.9193 7.7069 115.2740 66.4346 68.3768 176.8586 57 K 4.1504 8.3362 120.6833 59.5509 32.1086 179.6204 58 G 3.5451 8.3031 105.9656 47.6956 0.0000 175.9198 59 I 3.6967 7.8655 122.1477 64.1213 37.1046 178.5461 60 L 3.9084 8.1951 120.0736 57.6555 41.3738 179.6706 61 G 3.8244 8.7000 106.0798 47.7781 0.0000 175.4319 62 F 4.0100 8.2412 122.8868 61.0316 39.4378 177.1247 63 V 3.4705 8.0623 118.0792 66.2106 31.0178 177.9952 64 F 4.7059 8.0737 117.5564 60.6491 38.9029 177.4797 65 T 4.0675 8.1287 114.2170 66.4141 68.2164 176.1962 66 L 3.9024 7.4333 121.8589 58.2262 42.3542 178.7874 67 T 4.1322 8.4002 109.4511 63.1233 69.2131 174.3295 *77 R 4.2070 7.4272 120.6492 55.7674 31.5590 176.2061 78 R 3.9805 8.7860 122.5910 59.5096 30.0794 178.7170 79 F 4.2939 8.4385 113.9405 59.5389 37.7639 177.6388 80 V 3.1260 6.7125 118.4985 65.6911 31.4215 177.6456 81 Q 4.0126 7.9473 117.7154 59.3225 28.3911 178.9576 82 N 4.3586 8.3165 116.1196 56.0210 38.6204 177.1491 83 A 4.1256 7.5323 121.2339 55.2774 18.6151 179.4276 84 L 3.9315 7.7891 116.3496 56.9025 42.0630 178.1224 85 N 4.3394 7.3826 115.5347 53.0619 38.8313 174.0796 *89 D 4.5790 8.0242 120.6598 53.9074 43.6668 175.6554 90 P 4.3448 0.0000 0.0000 65.5149 31.5423 178.4697 91 N 4.3232 8.1495 114.9281 56.5690 38.4409 176.9871 92 N 4.3774 8.1083 117.2213 56.5319 38.6539 177.3091 93 M 4.0148 8.4518 120.6522 58.1796 32.0981 178.2764 94 D 4.2718 8.6847 118.4833 57.5204 41.4299 178.4548 95 R 4.0285 8.1869 118.3451 59.2153 29.9874 178.6982 96 A 3.8384 8.2059 120.7288 55.3158 18.3156 179.8332 97 V 3.5425 7.7269 116.4869 66.1604 31.3766 178.4164 98 K 4.0372 7.9825 118.1311 59.3468 31.8370 179.1458 99 L 3.7037 8.1045 121.1425 58.0209 41.8823 178.3815 100 Y 4.0299 8.2178 119.9196 60.4132 38.4793 177.8138 101 K 3.7455 8.0273 118.6706 59.6427 32.4372 179.0281 102 K 4.1034 7.5275 116.8920 59.5356 31.9863 179.5842 103 L 3.9284 8.0091 119.1945 57.4991 41.2423 179.6183 104 K 3.8536 7.7077 117.6164 58.3875 31.8883 178.3717 105 R 4.4954 7.6669 116.3555 54.7012 30.6234 175.2707 106 E 4.5596 7.6565 119.7305 54.8215 30.8010 175.6666 107 I 4.2560 8.4021 123.0026 60.9462 39.8878 175.0827 108 T 4.7198 7.4294 109.5475 59.5823 71.4204 175.1484 109 F 4.3225 8.8397 124.0210 62.0813 39.5060 177.2076 110 H 4.1150 8.3854 115.5287 58.4951 28.7016 177.6842 111 G 3.7012 8.0750 107.2364 47.8969 0.0000 175.5129 112 A 3.9401 7.7082 123.0206 54.5663 18.5194 179.6033 113 K 3.7896 8.0102 118.5256 59.7057 31.9789 178.8977 114 E 3.9454 8.2530 118.0682 59.2624 29.7042 179.2319 115 V 3.7781 7.6868 117.9929 66.2257 31.5656 178.3535 116 S 4.2570 8.1584 114.8820 61.4896 62.4335 176.4455 117 L 4.0850 7.7167 120.4654 56.7389 41.3962 178.5359 118 S 4.4007 7.8686 112.6483 58.2456 63.6080 173.2516 119 Y 4.6458 7.3705 120.4272 56.1068 40.5058 176.0909 120 S 4.4985 8.3320 116.4442 58.1314 65.5079 175.1558 121 T 3.9314 8.5986 120.0256 67.1266 68.2308 176.8513 122 G 3.5858 8.1135 106.5776 47.7772 0.0000 175.4514 123 A 4.1875 7.6110 121.9577 54.8302 18.3478 179.7483 124 L 3.7870 8.2164 117.5641 57.7249 41.6494 179.5861 125 A 3.8139 8.1545 120.8862 55.3866 18.3332 179.8813 126 S 3.9862 7.8933 113.5630 61.8226 62.8212 176.5978 127 C 4.0169 8.1667 121.6861 62.6065 31.1851 175.4870 128 M 3.6953 8.1117 120.6811 57.9281 31.0662 178.9016 129 G 3.5836 7.9537 105.9370 47.7871 0.0000 175.5404 130 L 3.9152 7.6568 120.5172 57.6970 41.8928 179.5901 131 I 3.9906 7.7733 119.5415 64.4309 36.8535 177.8540 132 Y 4.3900 8.4596 119.8062 60.1365 38.7019 176.8846 133 N 4.6390 7.7519 114.8554 53.2482 40.3638 175.0916 134 R 4.6878 8.1840 120.0766 54.9994 31.1325 175.3499 135 M 4.2094 7.7342 117.3301 56.8807 32.8149 177.6116 136 G 4.0852 9.0750 111.5026 45.5114 0.0000 174.2547 137 T 4.2618 7.5404 108.6017 62.7846 69.5529 175.3154 138 V 4.5015 7.4249 113.9820 58.6426 35.4970 175.7925 139 T 4.1920 8.1496 112.7223 61.8614 70.7864 175.7142 140 T 3.9103 8.4166 118.2331 66.7943 68.3863 176.8270 141 E 4.2393 8.3152 119.9533 59.3544 29.5774 179.0052 142 A 3.9994 7.9810 120.4008 55.1671 18.4990 179.5363 143 A 4.0641 8.2473 119.2887 55.3884 18.3713 179.8221 144 F 4.3652 8.8456 116.8992 60.7410 39.0353 177.9827 145 G 3.1787 8.6822 105.6411 47.6496 0.0000 175.4482 146 L 3.8896 7.9561 122.7473 57.7060 42.0650 179.0525 147 V 3.5596 7.9037 118.2403 66.2445 31.4725 177.4620 148 C 4.0387 8.4864 118.2911 62.4636 31.3090 175.4575 149 A 3.8069 7.8648 122.2182 55.3057 17.9368 179.6130 150 T 3.7593 7.9762 114.3592 67.1057 68.5395 176.5837 151 C 4.1629 8.2208 118.5570 62.7405 28.1632 175.7985 152 E 4.0808 8.2157 120.8574 59.5138 29.0043 178.9224 153 Q 4.0271 8.0817 117.0032 58.9116 28.8178 178.5198 154 I 3.8427 7.7460 119.6511 64.4763 37.5707 178.0235 155 A 4.2349 8.4857 121.8988 55.0690 17.8674 178.4176 156 D 4.6561 7.8400 115.6298 54.2604 41.3029 176.7652 157 S 4.1900 7.9375 120.5072 58.9658 63.0332 174.0755 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 4 L 8.04 3.79 0.00 1.20 0.43 0.40 -0.70 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 5 T 7.60 3.69 4.21 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 1.14 0.00 0.00 6 E 8.14 4.03 0.00 1.97 1.58 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 2.62 2.66 0.00 7 V 7.67 3.83 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 1.34 0.00 0.00 1.27 0.00 0.00 8 E 8.60 4.02 0.00 2.38 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 2.36 0.00 9 T 7.70 4.02 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 1.25 0.00 0.00 10 Y 7.90 4.13 0.00 3.32 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 11 V 8.38 3.84 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 1.05 0.00 0.00 1.10 0.00 0.00 12 L 8.54 4.08 0.00 1.70 1.72 0.93 0.79 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 13 S 7.87 4.26 0.00 3.99 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 14 I 7.24 4.34 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.69 0.97 0.00 0.00 15 I 7.19 4.27 2.01 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 1.34 0.78 0.95 0.00 0.00 16 P 0.00 4.46 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 17 S 8.38 4.20 0.00 3.87 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 18 G 8.57 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 0.00 0.00 0.00 0.00 19 P 0.00 4.38 0.00 2.21 2.14 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 20 L 7.91 4.06 0.00 1.75 1.71 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.80 3.87 0.00 1.97 1.95 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.55 7.81 22 A 7.98 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 23 E 8.36 3.92 0.00 2.52 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 0.00 2.44 2.76 0.00 24 I 8.34 3.94 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.05 1.03 0.00 0.00 25 A 8.28 3.93 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 26 Q 8.25 3.84 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 27 R 7.90 3.82 0.00 1.85 1.68 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 28 L 8.45 4.06 0.00 1.47 0.89 0.86 0.63 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 29 E 7.89 3.64 0.00 2.06 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 2.22 2.28 0.00 30 S 7.95 4.16 0.00 4.04 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 0.00 31 V 7.85 3.75 2.40 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 1.21 0.00 0.00 0.91 0.00 0.00 32 F 8.45 4.25 0.00 3.12 3.07 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 33 A 8.27 4.36 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 34 G 8.30 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 0.00 0.00 0.00 0.00 35 K 8.59 4.06 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.37 7.81 36 N 7.85 4.68 0.00 2.64 2.62 0.00 0.00 6.63 7.22 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 37 T 8.40 4.55 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 38 D 7.92 4.63 0.00 2.75 2.49 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 0.00 39 L 8.00 3.94 0.00 1.81 1.68 0.99 0.99 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 40 E 8.11 4.01 0.00 2.03 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 2.43 2.35 0.00 41 A 8.27 4.00 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 42 L 7.86 3.82 0.00 1.71 1.75 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.72 4.33 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.98 0.00 44 E 8.52 3.99 0.00 2.03 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 2.75 2.49 0.00 45 W 8.15 4.10 0.00 3.31 3.41 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 46 L 8.71 3.90 0.00 2.17 2.09 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.08 3.04 0.00 0.79 1.58 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 0.77 7.81 48 T 6.86 4.24 4.10 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 1.14 0.00 0.00 49 R 6.98 3.76 0.00 1.63 1.60 0.00 2.21 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.76 0.00 50 P 0.00 4.45 0.00 2.12 2.02 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 51 I 8.51 3.63 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 0.91 0.00 0.00 52 L 7.63 4.06 0.00 1.61 1.62 0.91 0.88 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 53 S 8.53 4.33 0.00 4.04 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 54 P 0.00 4.26 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 L 7.91 3.92 0.00 1.69 1.65 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.71 3.92 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 1.23 0.00 0.00 57 K 8.34 4.15 0.00 2.10 2.11 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 58 G 8.30 3.55 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 59 I 7.87 3.70 2.00 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 1.43 0.70 0.92 0.00 0.00 60 L 8.20 3.91 0.00 1.97 1.69 1.00 0.56 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 61 G 8.70 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 62 F 8.24 4.01 0.00 2.96 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.06 3.47 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 1.11 0.00 0.00 1.03 0.00 0.00 64 F 8.07 4.71 0.00 3.29 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 65 T 8.13 4.07 4.40 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 1.23 0.00 0.00 66 L 7.43 3.90 0.00 1.47 1.56 0.51 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.40 4.13 4.64 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 1.66 0.00 0.00 *77 R 7.43 4.21 0.00 1.79 1.93 0.00 3.50 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 78 R 8.79 3.98 0.00 2.00 2.04 0.00 3.43 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 79 F 8.44 4.29 0.00 3.28 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 80 V 6.71 3.13 1.66 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 0.21 0.00 0.00 -0.04 0.00 0.00 81 Q 7.95 4.01 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 82 N 8.32 4.36 0.00 2.76 2.89 0.00 0.00 7.07 7.14 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 83 A 7.53 4.13 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 84 L 7.79 3.93 0.00 1.49 1.78 0.59 1.15 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 85 N 7.38 4.34 0.00 2.84 2.72 0.00 0.00 6.94 8.15 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 *89 D 8.02 4.58 0.00 2.69 2.60 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 90 P 0.00 4.34 0.00 2.19 2.08 0.00 3.65 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 2.11 2.17 0.00 91 N 8.15 4.32 0.00 2.73 2.88 0.00 0.00 7.16 6.92 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 92 N 8.11 4.38 0.00 2.89 2.96 0.00 0.00 7.12 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 93 M 8.45 4.01 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 94 D 8.68 4.27 0.00 2.66 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 95 R 8.19 4.03 0.00 2.06 2.20 0.00 3.25 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 96 A 8.21 3.84 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 97 V 7.73 3.54 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 1.08 0.00 0.00 0.96 0.00 0.00 98 K 7.98 4.04 0.00 2.19 1.98 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.71 7.81 99 L 8.10 3.70 0.00 0.27 1.36 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.22 4.03 0.00 3.05 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 0.00 101 K 8.03 3.75 0.00 2.01 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 102 K 7.53 4.10 0.00 2.01 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.62 7.81 103 L 8.01 3.93 0.00 1.58 1.66 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.71 3.85 0.00 1.66 1.69 0.00 1.07 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.03 0.72 7.81 105 R 7.67 4.50 0.00 1.87 1.90 0.00 3.12 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 E 7.66 4.56 0.00 2.05 1.86 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 2.45 2.34 0.00 107 I 8.40 4.26 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 1.48 1.12 0.93 0.00 0.00 108 T 7.43 4.72 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 1.25 0.00 0.00 109 F 8.84 4.32 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 0.00 110 H 8.39 4.11 0.00 3.27 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.08 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.71 3.94 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 0.00 113 K 8.01 3.79 0.00 1.11 1.58 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.18 7.81 114 E 8.25 3.95 0.00 1.94 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 2.33 2.46 0.00 115 V 7.69 3.78 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 1.14 0.00 0.00 1.02 0.00 0.00 116 S 8.16 4.26 0.00 4.00 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 0.00 117 L 7.72 4.09 0.00 1.78 1.72 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.87 4.40 0.00 3.89 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 0.00 119 Y 7.37 4.65 0.00 3.03 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 0.00 120 S 8.33 4.50 0.00 4.06 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 0.00 121 T 8.60 3.93 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 1.19 0.00 0.00 122 G 8.11 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.61 4.19 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 0.00 124 L 8.22 3.79 0.00 1.80 1.64 0.99 1.03 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 0.00 125 A 8.15 3.81 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 0.00 126 S 7.89 3.99 0.00 4.02 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 0.00 127 C 8.17 4.02 0.00 2.95 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 0.00 128 M 8.11 3.70 0.00 1.00 1.79 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.81 0.00 129 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.66 3.92 0.00 1.60 1.33 0.64 0.58 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 0.00 131 I 7.77 3.99 2.10 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 1.69 0.91 1.16 0.00 0.00 132 Y 8.46 4.39 0.00 3.30 3.25 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 0.00 133 N 7.75 4.64 0.00 2.81 2.80 0.00 0.00 6.75 7.37 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 0.00 134 R 8.18 4.69 0.00 1.79 1.84 0.00 2.90 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 135 M 7.73 4.21 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 136 G 9.08 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 0.00 0.00 0.00 137 T 7.54 4.26 4.45 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 1.35 0.00 0.00 138 V 7.42 4.50 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 0.76 0.00 0.00 1.01 0.00 0.00 139 T 8.15 4.19 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 1.22 0.00 0.00 140 T 8.42 3.91 4.39 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 1.41 0.00 0.00 141 E 8.32 4.24 0.00 2.15 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 0.00 2.46 2.50 0.00 142 A 7.98 4.00 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 0.00 143 A 8.25 4.06 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 0.00 144 F 8.85 4.37 0.00 3.47 3.33 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 0.00 145 G 8.68 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 0.00 0.00 0.00 146 L 7.96 3.89 0.00 1.75 1.85 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.90 3.56 2.42 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 1.16 0.00 0.00 1.15 0.00 0.00 148 C 8.49 4.04 0.00 3.37 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 0.00 149 A 7.86 3.81 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 0.00 150 T 7.98 3.76 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 1.15 0.00 0.00 151 C 8.22 4.16 0.00 3.18 3.29 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 0.00 152 E 8.22 4.08 0.00 1.73 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 0.00 2.34 2.53 0.00 153 Q 8.08 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 154 I 7.75 3.84 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.93 0.00 0.00 155 A 8.49 4.23 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 0.00 156 D 7.84 4.66 0.00 2.81 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 0.00 157 S 7.94 4.19 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.