NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 R 4.2851 8.2544 119.0710 55.5527 31.1506 174.7500 23 Q 3.8934 8.4433 121.5070 54.7691 29.4879 173.7695 24 P 4.2898 0.0000 0.0000 61.6891 32.9105 174.0604 25 P 4.2034 0.0000 0.0000 63.0626 31.6921 175.6226 26 Q 4.3900 7.8304 118.3364 54.6813 30.6614 174.0978 27 D 4.5235 7.9410 117.2773 51.8088 42.9566 175.5172 28 L 4.1289 8.3956 127.4530 57.4342 41.8545 178.9648 29 A 3.9621 8.0837 120.2641 55.0152 18.3234 179.4058 30 A 3.8778 8.3893 119.3615 55.0907 18.5646 179.5870 31 E 4.0609 8.3244 117.1417 59.9315 29.6502 179.6331 32 Q 3.9427 8.2141 117.8656 59.1687 28.6621 179.2853 33 S 4.0218 8.0520 116.1310 61.1901 62.7488 176.7280 34 V 3.7910 8.0242 121.1072 66.2618 31.3500 178.1648 35 L 4.1868 8.0078 118.2562 57.5748 41.2179 179.5151 36 G 3.7771 8.3374 105.2482 47.9891 0.0000 175.4131 37 G 3.9275 8.4445 109.1251 47.7326 0.0000 175.5320 38 M 4.1114 8.2351 121.0196 58.1433 31.8803 178.7560 39 L 4.3554 8.2141 118.4707 56.5829 41.5516 178.3317 40 L 4.7995 7.4982 116.8461 53.6701 42.7491 176.4825 41 S 4.4803 7.3211 112.8108 55.7611 65.5703 174.7623 42 K 4.0862 8.8948 129.1301 59.7574 32.0255 178.4127 43 D 4.3877 8.1567 118.5964 57.0635 40.6752 178.3459 44 A 4.0066 7.7736 121.2920 55.1199 18.3098 179.6588 45 I 3.4676 7.3992 117.0674 64.3080 36.8696 178.3883 46 A 3.9152 7.3040 120.4469 55.3275 18.3531 179.0532 47 D 4.3988 8.0360 117.2677 57.6335 40.8350 179.3656 48 V 3.5613 8.1662 119.0643 65.8790 31.3260 177.9652 49 L 4.1105 7.9310 118.0671 57.9003 41.5028 179.0358 50 E 4.1681 7.7322 116.7836 58.1706 29.4824 177.6813 51 R 4.4956 8.1295 116.3178 55.7885 32.2752 175.3960 52 L 5.0015 7.8390 117.8124 53.4080 45.8241 175.9738 53 R 4.9441 8.2569 116.6896 53.3917 33.3963 174.2773 54 P 4.5116 0.0000 0.0000 66.7025 30.9766 178.5872 55 G 3.7813 8.0419 105.4940 47.3041 0.0000 174.2386 56 D 4.3809 7.8689 119.4152 56.5709 40.9890 176.8351 57 F 4.3493 7.6504 118.7946 57.0456 39.6383 175.0623 58 Y 4.1821 9.8773 127.6598 60.4992 39.1758 176.8516 59 R 4.1758 8.0326 118.4861 54.6428 31.7239 175.3400 60 P 4.1699 0.0000 0.0000 65.8461 31.4279 178.2506 61 A 3.9711 8.0160 118.7132 55.8759 18.0873 179.3218 62 H 4.1741 7.9553 113.8400 59.0010 28.8689 177.8461 63 Q 3.9340 7.9833 119.6849 58.9591 28.5373 178.7440 64 N 4.3268 8.2491 117.4156 56.2161 38.6136 177.5306 65 V 3.5407 7.6438 119.5252 66.2084 31.6484 177.1308 66 Y 4.0016 7.8732 119.1827 60.9723 38.4958 178.0469 67 D 4.2820 8.2746 119.2431 57.1979 40.9571 178.4701 68 A 3.9609 7.9460 121.1796 55.3070 18.3777 179.5258 69 I 3.5982 7.6882 118.0852 64.7570 37.1393 178.6796 70 L 3.9751 7.6098 119.5131 57.5850 40.8340 179.1174 71 D 4.2859 8.2165 117.9918 57.3276 41.2399 177.9976 72 L 3.9811 7.8542 119.3716 58.1989 41.7175 178.7813 73 Y 4.2049 8.5051 119.6469 60.9847 38.4761 178.7112 74 G 3.6927 8.4136 105.1468 47.0384 0.0000 174.7607 75 R 4.4405 7.3190 117.3474 55.1295 30.3627 176.6038 76 G 3.7829 7.5485 106.5459 46.3641 0.0000 173.3328 77 E 4.5850 7.9512 118.9027 53.0616 31.0771 174.5494 78 P 4.1414 0.0000 0.0000 63.2564 31.4922 175.7900 79 A 4.5519 8.5329 124.3969 50.3663 19.4834 175.0768 80 D 5.1337 8.9006 122.3357 50.1882 44.3327 175.8900 81 A 3.9657 8.5824 120.1131 55.5965 18.0932 179.9393 82 V 3.5209 7.7544 115.9858 66.5143 31.8630 178.3101 83 T 3.9605 9.0593 110.0438 64.5794 68.6122 176.7824 84 V 3.5676 8.2272 121.4535 65.6602 31.5470 177.7456 85 A 3.9979 7.9300 119.9841 55.1572 18.1945 179.4123 86 A 3.9060 7.8404 118.6900 55.2214 18.3396 179.4219 87 E 3.8381 8.2498 117.7021 59.4934 29.6722 178.9883 88 L 3.9924 8.3420 119.3557 57.8699 41.6502 179.0228 89 D 4.3189 8.7505 118.2172 57.5035 41.0005 178.4316 90 R 4.0376 7.8730 116.6747 58.2755 30.1626 178.2267 91 R 4.3313 7.5581 116.7438 55.9429 30.4357 177.2940 92 G 3.9072 7.9841 106.7171 46.3334 0.0000 174.6302 93 L 4.5935 8.0509 118.4443 53.8977 42.5152 178.0462 94 L 4.0149 7.9531 123.7977 59.0017 42.0884 179.4854 95 R 3.9428 7.9475 119.9672 61.4334 29.1380 180.3386 96 R 4.1334 7.9245 118.2394 58.7917 30.2244 177.5214 97 I 4.1824 7.3860 109.7382 60.7644 38.0109 176.2984 98 G 3.7146 7.7115 109.1507 45.1912 0.0000 175.4713 99 G 3.9426 8.5080 110.6866 44.5037 0.0000 174.6400 100 A 4.1413 8.3798 118.7787 54.5204 18.1506 178.0396 101 P 4.2460 0.0000 0.0000 66.0909 31.4588 178.0823 102 Y 4.1962 7.9421 118.2784 60.5192 38.7610 177.7070 103 L 3.9162 7.7121 118.7950 58.0059 41.6762 178.9987 104 H 4.1788 8.0208 117.9384 59.3242 29.8180 177.2759 105 T 3.7088 7.6533 117.6426 66.5863 68.1495 176.2837 106 L 3.7218 7.4028 120.4379 57.9841 41.4563 179.7781 107 I 3.6885 7.1975 117.8391 64.2866 37.1020 178.3972 108 S 4.2333 7.8384 113.7707 60.8907 62.9948 176.5365 109 T 4.0691 7.3819 119.5068 65.2160 68.4400 175.4363 110 V 3.3910 6.7667 119.9829 61.5799 31.5456 174.1713 111 P 4.3571 0.0000 0.0000 65.1434 31.6495 176.9718 112 T 4.5499 8.0380 112.4017 60.3637 70.4244 174.0346 113 A 4.0749 9.0130 132.0165 55.3167 18.6213 178.9529 114 A 4.1531 8.0086 116.9004 54.5879 18.8724 177.5536 115 N 4.8080 8.3033 112.9076 53.1343 38.9942 176.5700 116 A 4.2646 8.2166 123.4914 55.5888 18.4080 180.3491 117 G 3.5007 8.0257 103.2738 48.3700 0.0000 175.2441 118 Y 4.0528 7.3726 118.5203 60.9691 37.9738 178.0586 119 Y 4.3762 7.4155 117.2525 61.0127 37.9092 178.3641 120 A 3.9962 8.4716 122.1988 55.2657 18.3518 179.8973 121 S 4.1339 8.0305 113.3442 61.4971 62.7376 176.9916 122 I 3.6754 7.5271 122.2360 64.3690 36.9473 178.4322 123 V 3.4335 7.6525 118.7046 65.9605 31.2820 177.7989 124 A 3.8760 8.2266 120.7249 55.1465 18.2146 179.2506 125 E 3.8528 8.3502 117.9348 59.4649 29.7558 179.2197 126 K 3.9781 8.3165 118.4786 59.2798 31.9414 179.2677 127 A 3.9999 8.0938 121.3051 54.7269 18.2553 179.3738 128 L 3.8648 7.9329 118.9174 58.3981 42.2179 179.2542 129 L 3.9647 7.8537 118.8784 57.7916 41.4481 179.5393 130 R 3.9024 8.1476 118.6524 59.5218 29.9598 178.7657 131 R 3.9223 8.3829 118.2356 59.0531 29.9914 179.0896 132 L 3.9131 7.9190 118.8729 57.7109 41.6407 179.3893 133 V 3.5251 7.7005 118.0432 66.2923 31.4654 177.7618 134 E 3.9237 8.4665 118.0817 59.4426 29.3374 179.4042 135 A 4.0494 8.3271 121.0054 55.0857 18.4872 179.9164 136 G 3.5484 8.6087 104.6177 48.2179 0.0000 176.1119 137 T 3.8906 8.0507 118.1090 66.4159 68.3722 177.0510 138 R 3.6296 7.9208 119.9918 58.9937 30.0081 179.2131 139 V 3.4123 7.5634 117.9459 65.9518 31.4658 178.0170 140 V 3.5582 7.7253 117.8517 66.4074 31.2464 178.0494 141 Q 4.1776 7.8910 117.3114 59.2354 28.2851 178.3796 142 Y 4.5733 7.9356 117.4997 60.8148 37.8893 178.3910 143 G 3.6404 7.9540 106.3305 48.0677 0.0000 175.1201 144 Y 4.5610 7.6811 117.4010 58.9130 38.0358 175.6791 145 A 4.1255 8.1062 123.0821 52.7802 18.3718 176.8811 146 G 3.9697 8.2838 108.4095 45.4157 0.0000 172.3413 *153 A 4.3423 8.5861 127.3479 52.6471 20.9365 179.7127 154 E 4.0393 8.1823 117.0700 61.8908 29.8028 182.2175 155 V 3.6818 7.6084 120.2325 65.7067 31.8146 180.4032 156 V 3.8845 7.8467 121.0055 66.4306 31.4392 178.4250 157 D 4.5645 7.8853 120.9821 58.6411 39.7107 180.8226 158 R 4.1284 7.8171 119.3664 58.9642 29.8120 179.1605 159 A 4.2574 8.3577 120.7125 55.1114 18.3297 179.5978 160 Q 4.0203 8.3284 116.3903 59.2625 28.7689 178.9088 161 A 4.1587 8.3492 124.0692 55.9297 18.1477 180.0485 162 E 4.0684 8.0665 115.6698 61.4969 29.7052 180.8559 163 I 4.0435 7.5691 119.7904 63.6777 37.8904 177.0917 164 Y 4.4711 8.1951 116.2556 59.1194 37.8418 175.7545 165 D 4.9552 7.5158 118.9275 52.8815 39.9890 176.6100 166 V 3.7615 7.3518 124.1690 63.9795 31.4316 175.5577 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 22 R 8.25 4.29 0.00 1.85 1.79 0.00 3.24 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 23 Q 8.44 3.89 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 24 P 0.00 4.29 0.00 1.71 1.98 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 25 P 0.00 4.20 0.00 2.14 1.96 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 26 Q 7.83 4.39 0.00 1.98 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 27 D 7.94 4.52 0.00 2.64 2.52 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 28 L 8.40 4.13 0.00 1.78 1.81 0.99 0.90 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 29 A 8.08 3.96 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 30 A 8.39 3.88 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 31 E 8.32 4.06 0.00 2.36 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 0.00 2.36 2.65 0.00 32 Q 8.21 3.94 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 33 S 8.05 4.02 0.00 3.42 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 34 V 8.02 3.79 2.45 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 1.28 0.00 0.00 1.10 0.00 0.00 35 L 8.01 4.19 0.00 1.87 1.68 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 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 37 G 8.44 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 0.00 0.00 0.00 38 M 8.24 4.11 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.63 0.00 39 L 8.21 4.36 0.00 1.89 1.71 0.89 0.43 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 40 L 7.50 4.80 0.00 1.78 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.32 4.48 0.00 3.90 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 42 K 8.89 4.09 0.00 1.93 1.86 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.78 7.81 43 D 8.16 4.39 0.00 2.82 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 44 A 7.77 4.01 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 45 I 7.40 3.47 1.51 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 1.30 0.60 -0.03 0.00 0.00 46 A 7.30 3.92 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 47 D 8.04 4.40 0.00 2.85 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 48 V 8.17 3.56 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 1.35 0.00 0.00 1.01 0.00 0.00 49 L 7.93 4.11 0.00 1.90 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.73 4.17 0.00 2.16 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 2.49 0.00 51 R 8.13 4.50 0.00 1.82 1.89 0.00 3.01 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 52 L 7.84 5.00 0.00 1.52 1.27 0.50 0.58 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 53 R 8.26 4.94 0.00 1.69 1.72 0.00 3.30 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 54 P 0.00 4.51 0.00 2.34 2.93 0.00 3.84 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 55 G 8.04 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 56 D 7.87 4.38 0.00 2.51 2.47 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 0.00 0.00 0.00 0.00 57 F 7.65 4.35 0.00 3.09 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 58 Y 9.88 4.18 0.00 2.89 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 59 R 8.03 4.18 0.00 1.79 1.73 0.00 3.25 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 60 P 0.00 4.17 0.00 2.08 2.06 0.00 3.50 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 2.02 2.06 0.00 61 A 8.02 3.97 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.96 4.17 0.00 3.40 2.98 0.00 5.65 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 63 Q 7.98 3.93 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.89 2.66 0.00 64 N 8.25 4.33 0.00 2.90 2.86 0.00 0.00 6.65 7.11 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 65 V 7.64 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 0.98 0.00 0.00 1.04 0.00 0.00 66 Y 7.87 4.00 0.00 2.63 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 67 D 8.27 4.28 0.00 2.92 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 68 A 7.95 3.96 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 69 I 7.69 3.60 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.80 0.00 0.00 70 L 7.61 3.98 0.00 1.70 1.64 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.22 4.29 0.00 2.83 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 72 L 7.85 3.98 0.00 1.95 1.91 1.01 0.61 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 73 Y 8.51 4.20 0.00 3.04 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 74 G 8.41 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 0.00 0.00 0.00 75 R 7.32 4.44 0.00 1.95 1.94 0.00 3.27 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 1.59 1.74 0.00 76 G 7.55 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 77 E 7.95 4.58 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 78 P 0.00 4.14 0.00 2.18 2.09 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 79 A 8.53 4.55 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 80 D 8.90 5.13 0.00 2.87 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 81 A 8.58 3.97 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 82 V 7.75 3.52 2.20 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 1.08 0.00 0.00 0.93 0.00 0.00 83 T 9.06 3.96 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 1.25 0.00 0.00 84 V 8.23 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 85 A 7.93 4.00 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 86 A 7.84 3.91 1.37 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 0.00 0.00 87 E 8.25 3.84 0.00 2.10 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 2.30 2.40 0.00 88 L 8.34 3.99 0.00 1.91 1.71 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.75 4.32 0.00 2.86 2.66 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 0.00 0.00 0.00 0.00 90 R 7.87 4.04 0.00 2.04 1.98 0.00 3.20 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 91 R 7.56 4.33 0.00 1.92 1.97 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 92 G 7.98 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 93 L 8.05 4.59 0.00 1.65 1.67 0.92 0.52 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 94 L 7.95 4.01 0.00 1.85 1.67 0.99 1.03 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 95 R 7.95 3.94 0.00 1.86 1.93 0.00 3.31 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 96 R 7.92 4.13 0.00 1.78 2.10 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 I 7.39 4.18 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.97 0.00 0.00 98 G 7.71 3.71 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 0.00 0.00 0.00 99 G 8.51 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 0.00 100 A 8.38 4.14 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 0.00 101 P 0.00 4.25 0.00 2.24 2.17 0.00 3.71 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 2.15 2.17 0.00 102 Y 7.94 4.20 0.00 3.05 3.01 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 0.00 103 L 7.71 3.92 0.00 1.97 1.70 0.94 0.93 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 0.00 104 H 8.02 4.18 0.00 3.20 3.54 0.00 5.80 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 0.00 105 T 7.65 3.71 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 1.14 0.00 0.00 106 L 7.40 3.72 0.00 1.68 1.57 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.20 3.69 1.82 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 1.56 0.43 0.89 0.00 0.00 108 S 7.84 4.23 0.00 3.95 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 0.00 109 T 7.38 4.07 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 1.17 0.00 0.00 110 V 6.77 3.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.06 0.00 0.00 111 P 0.00 4.36 0.00 2.20 2.18 0.00 3.31 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 112 T 8.04 4.55 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 1.29 0.00 0.00 113 A 9.01 4.07 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 0.00 114 A 8.01 4.15 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 0.00 115 N 8.30 4.81 0.00 2.82 2.34 0.00 0.00 6.67 7.72 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 0.00 116 A 8.22 4.26 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 0.00 117 G 8.03 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.37 4.05 0.00 2.74 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 0.00 119 Y 7.42 4.38 0.00 3.14 3.08 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 0.00 120 A 8.47 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 0.00 121 S 8.03 4.13 0.00 4.06 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 0.00 122 I 7.53 3.68 2.11 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 1.45 0.83 0.96 0.00 0.00 123 V 7.65 3.43 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.87 0.00 0.00 124 A 8.23 3.88 1.37 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 0.00 0.00 125 E 8.35 3.85 0.00 2.08 2.12 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 2.29 2.33 0.00 126 K 8.32 3.98 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 127 A 8.09 4.00 1.37 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 0.00 0.00 128 L 7.93 3.86 0.00 1.99 1.71 0.91 0.48 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 0.00 129 L 7.85 3.96 0.00 1.86 1.68 0.90 0.87 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 0.00 130 R 8.15 3.90 0.00 2.16 2.10 0.00 3.37 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 131 R 8.38 3.92 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 132 L 7.92 3.91 0.00 1.93 1.68 0.89 0.79 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 0.00 133 V 7.70 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 134 E 8.47 3.92 0.00 2.03 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 2.35 2.65 0.00 135 A 8.33 4.05 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 0.00 136 G 8.61 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 0.00 137 T 8.05 3.89 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 1.19 0.00 0.00 138 R 7.92 3.63 0.00 1.80 1.40 0.00 3.10 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 1.46 1.51 0.00 139 V 7.56 3.41 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 0.98 0.00 0.00 0.98 0.00 0.00 140 V 7.73 3.56 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 1.14 0.00 0.00 0.94 0.00 0.00 141 Q 7.89 4.18 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 142 Y 7.94 4.57 0.00 3.05 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 0.00 143 G 7.95 3.64 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 0.00 0.00 0.00 144 Y 7.68 4.56 0.00 3.00 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 0.00 145 A 8.11 4.13 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 0.00 146 G 8.28 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 *153 A 8.59 4.34 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 0.00 154 E 8.18 4.04 0.00 1.99 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 2.31 1.94 0.00 155 V 7.61 3.68 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 0.93 0.00 0.00 156 V 7.85 3.88 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 0.98 0.00 0.00 0.94 0.00 0.00 157 D 7.89 4.56 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 158 R 7.82 4.13 0.00 1.67 1.58 0.00 2.22 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 159 A 8.36 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.02 0.00 2.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 161 A 8.35 4.16 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 0.00 162 E 8.07 4.07 0.00 2.10 1.89 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 2.26 2.20 0.00 163 I 7.57 4.04 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.46 0.00 0.00 164 Y 8.20 4.47 0.00 3.12 2.96 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 0.00 165 D 7.52 4.96 0.00 2.77 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 0.00 166 V 7.35 3.76 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 0.72 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.