NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.1281 8.3649 120.1963 52.9258 40.5651 174.2812 6 F 4.8986 7.9827 120.5507 54.5093 42.7013 171.8027 7 E 3.8992 9.0533 122.4727 59.1322 30.4346 172.1448 8 E 4.0997 9.1280 126.9277 55.4603 30.3865 173.3734 9 K 4.5452 8.7953 126.4951 55.1299 35.6133 174.2102 10 M 4.8028 8.4967 123.6526 53.9149 32.6095 176.1039 11 I 3.9372 8.1765 125.8275 63.7439 37.7090 175.8071 12 L 4.7179 7.4649 117.9498 55.0768 44.2152 175.6039 13 I 5.5034 8.5074 120.1250 61.5763 39.3487 174.1447 14 R 4.7751 8.6756 123.7236 54.3908 32.5093 174.9255 15 R 5.1427 8.5612 120.6522 55.1704 32.2358 174.8584 16 T 4.9354 8.4635 114.1797 60.4107 72.9778 171.8232 17 A 5.0277 8.1798 121.7796 50.9703 22.2581 175.4535 18 R 4.6535 8.4290 114.4373 54.8631 33.2036 174.6857 19 M 4.5253 8.1560 119.2822 53.8063 34.5772 175.5095 20 Q 4.4375 8.1204 118.4494 56.1104 32.9409 171.6861 21 A 4.1556 8.0213 130.7662 50.6880 17.4815 175.9426 22 G 4.0524 9.1074 119.0934 45.5577 0.0000 171.1772 23 G 3.8169 7.8264 108.7567 43.8453 0.0000 172.9192 24 R 4.4791 7.8069 114.4206 55.6388 31.0644 176.2665 25 R 4.3460 7.8774 118.7728 54.3890 33.6621 174.5435 26 F 5.6038 9.0710 125.5665 57.1845 41.2012 175.1272 27 R 4.4816 7.1364 127.4757 57.3629 32.8781 173.5034 28 F 5.4593 8.6432 120.7866 55.6216 43.4122 174.2518 29 G 4.5005 9.3532 109.0014 44.4795 0.0000 172.3914 30 A 5.1645 8.4332 125.1845 50.2184 22.3753 174.8368 31 L 5.1669 8.6954 124.4319 54.4423 43.6200 175.4977 32 V 4.5934 8.7578 126.4548 61.0006 35.1679 174.2275 33 V 5.3852 8.7898 125.3369 60.1327 34.6051 174.6455 34 V 4.8008 8.0376 125.6641 60.2154 34.9728 174.3701 35 G 4.2443 8.4898 108.4589 45.6149 0.0000 172.7233 36 D 4.8645 8.5838 117.9712 52.8038 39.7159 176.9552 37 R 3.8820 7.8527 115.9162 57.4016 28.6566 177.2021 38 Q 4.5307 8.2315 110.5600 55.0636 30.5929 175.6646 39 G 3.9034 10.0071 105.6262 45.6103 0.0000 172.7036 40 R 5.0973 7.8525 119.2571 54.8581 34.1836 174.5877 41 V 4.8611 8.3799 116.3853 59.6178 37.0757 174.3077 42 G 4.7408 8.9751 108.0563 43.6347 0.0000 171.6487 43 L 5.1316 8.4002 121.3250 53.6153 44.9403 175.3448 44 G 4.2436 9.2793 113.8924 44.5449 0.0000 170.7810 45 F 5.2820 9.3043 129.2217 57.1671 40.1237 174.7221 46 G 4.1358 9.7721 115.0128 44.3980 0.0000 171.3670 47 K 5.6957 8.4577 122.8185 53.8695 34.8092 175.2447 48 A 4.6555 8.3264 123.6688 50.4674 22.3986 175.2952 49 P 4.5306 0.0000 0.0000 64.1172 31.7531 176.2398 50 E 4.6448 7.8071 118.5544 54.3172 33.0621 175.9038 51 V 3.2928 7.8419 123.9296 65.2643 32.1890 176.4359 52 P 4.0710 0.0000 0.0000 65.7928 30.5419 177.5843 53 L 3.9850 7.5794 118.9879 56.6396 41.6876 179.0643 54 A 3.9155 8.4867 119.9675 55.1542 18.9783 179.9238 55 V 3.2563 8.1789 117.0795 65.9615 31.3478 178.1119 56 Q 3.9460 7.7535 118.8140 58.7410 28.6940 177.8411 57 K 4.0350 9.1396 121.3575 59.4661 32.2696 178.2811 58 A 4.4713 8.9421 122.5460 55.6594 18.0443 179.6756 59 G 3.9081 7.9326 102.4337 48.5889 0.0000 173.1595 60 Y 4.2531 9.4954 123.6197 58.5891 39.1514 176.4674 61 Y 4.0432 7.2302 117.0922 61.1788 39.0312 178.9072 62 A 3.9404 8.6272 123.0966 55.6721 18.9052 178.4304 63 R 4.3630 8.0038 114.2371 54.3100 28.7488 174.8623 64 R 4.3104 7.2624 122.6152 56.4967 37.7400 175.1104 65 N 4.6463 5.7700 117.9970 54.3671 37.9550 173.3201 66 M 5.9308 8.0193 121.7781 52.3730 36.7018 174.0961 67 V 4.5234 7.7451 116.9616 60.4511 34.7514 172.6779 68 E 4.0781 8.7844 120.6875 56.7984 29.9666 177.1628 69 V 4.2898 8.4601 126.0232 59.4293 31.4227 170.9046 70 P 4.1814 0.0000 0.0000 62.6511 30.5627 176.9883 71 L 4.5468 7.9044 123.5754 53.7525 41.7062 177.7785 72 Q 4.5420 8.3183 111.7837 56.4778 30.7699 173.6271 73 N 4.2314 8.9720 124.3233 54.6278 36.8913 174.0910 74 G 3.9764 8.4517 100.5003 46.4077 0.0000 173.3685 75 T 4.3948 7.2196 114.8018 60.9970 69.3502 172.2206 76 I 4.4721 8.1857 119.7805 59.1771 39.7061 174.6126 77 P 5.2427 0.0000 0.0000 63.0321 32.0615 175.6944 78 H 4.4305 7.8804 110.9668 54.2888 30.2622 173.4042 79 E 4.1087 9.1267 121.8913 56.8614 29.4706 176.5106 80 I 4.8506 8.8733 116.3731 59.2320 41.7645 173.6573 81 E 5.4301 8.6519 121.6091 53.7423 32.5068 175.9500 82 V 4.3273 8.2103 123.2383 61.9641 34.5813 172.9646 83 E 4.8136 8.9181 127.6643 54.4756 31.1819 176.7422 84 F 4.9126 8.7097 126.3688 57.4949 38.7404 176.1897 85 G 4.0477 8.0581 117.4912 46.9215 0.0000 173.2640 86 A 4.2377 6.8962 122.5474 52.7855 19.9071 176.1634 87 S 4.8669 7.7149 109.4162 57.0526 65.5222 172.7678 88 K 4.8291 8.4766 124.1736 54.6759 34.6731 174.6924 89 I 4.9475 8.2062 126.8410 59.2379 41.4477 174.2342 90 V 4.8040 8.2932 125.4720 61.2858 34.2290 174.2967 91 L 5.1978 9.2408 128.5428 53.4359 44.4852 175.4940 92 K 4.7054 8.2846 119.2606 54.6628 36.1066 173.1895 93 P 4.4158 0.0000 0.0000 63.1212 32.3863 175.3681 94 A 4.3172 7.9038 116.2587 51.4492 21.4071 176.6718 95 A 4.1428 8.9083 126.0494 51.0800 19.2959 175.1414 96 P 4.6524 0.0000 0.0000 63.3039 31.9529 175.9288 97 G 3.8149 8.7987 104.9017 47.5260 0.0000 174.3722 98 T 4.3038 8.1295 114.1805 64.1163 71.7865 175.4927 99 G 4.2905 8.4018 105.8189 43.3255 0.0000 172.2470 100 V 4.5052 7.8556 110.9205 60.3375 33.1733 176.6333 101 I 4.5102 7.7769 123.2502 60.5814 40.5651 174.1418 102 A 4.3599 8.1141 127.9425 51.7025 21.7100 175.1393 103 G 3.8097 8.2772 107.0320 45.8054 0.0000 174.6596 104 A 4.7277 8.5545 126.1879 52.2101 19.6398 178.2076 105 V 4.0995 7.6455 116.7198 64.4353 32.8609 175.5708 106 P 4.4317 0.0000 0.0000 65.2261 31.4932 178.2690 107 R 3.8542 7.6038 118.2505 59.0129 29.8824 177.7660 108 A 4.1799 7.9672 117.6173 53.6018 18.5063 177.3485 109 I 4.2666 7.2278 115.7577 62.7931 39.4849 177.6748 110 L 3.9619 8.4600 119.7276 57.5902 40.9460 179.6143 111 E 4.0522 8.4998 119.1807 59.0352 29.8115 178.4120 112 L 4.0249 7.7197 116.5658 55.9973 42.0005 178.7901 113 A 4.1103 8.1318 122.4379 55.1542 18.2812 177.5551 114 G 3.3610 7.0511 104.0821 44.9784 0.0000 174.2834 115 V 3.9914 7.2593 120.2488 63.6096 32.2009 176.1835 116 T 4.6863 9.7027 116.9327 64.1800 73.4447 173.6592 117 D 5.2175 7.5926 120.9083 53.4227 42.4073 173.7847 118 I 4.8250 9.0205 122.9447 58.8687 42.6346 173.1717 119 L 5.0507 8.3273 124.4514 53.1592 44.5766 175.8491 120 T 5.5625 8.2625 116.4123 59.4592 71.1800 172.8316 121 K 4.6241 8.3962 125.7267 55.1998 36.0586 174.0535 122 E 4.8856 8.8278 126.4499 54.9965 31.3787 174.9268 123 L 4.3605 8.6483 125.5093 54.6523 45.6382 175.8775 124 G 4.0981 9.2966 109.3082 45.6449 0.0000 176.6003 125 S 4.8750 6.3768 118.9878 57.7275 64.1188 174.8333 126 R 4.3325 8.3536 116.2294 55.1738 34.3292 173.9902 127 N 4.2096 8.5548 118.6317 53.5832 39.4169 172.8811 128 P 4.3268 0.0000 0.0000 65.9027 31.3959 178.6351 129 I 3.3501 7.4659 117.5124 64.1049 37.0282 178.1266 130 N 4.4386 7.9347 116.7049 56.4324 38.5275 177.0302 131 I 3.6277 8.1391 121.3227 64.6721 37.1229 177.9083 132 A 3.8873 7.8526 121.2715 55.7402 17.5462 179.3888 133 Y 4.3005 7.4299 114.1072 61.0508 37.6926 178.0922 134 A 3.9631 8.2169 121.0771 56.0073 18.6230 178.9021 135 T 3.7553 8.3578 114.1542 67.1741 68.3411 176.3162 136 M 3.5335 8.7102 116.1159 59.0348 32.0537 179.0043 137 E 3.6779 7.5086 124.0014 59.5056 31.0524 178.9591 138 A 4.0776 8.3252 121.8308 55.0069 18.5385 179.3648 139 L 4.0367 7.9068 116.2128 57.8923 41.5429 179.7253 140 R 4.0025 8.0761 117.9700 58.3627 29.9394 176.7683 141 Q 4.6613 8.2708 117.2592 55.4310 29.3902 175.0744 142 L 4.4958 7.5976 118.0701 53.6956 42.8532 176.8173 143 R 4.7033 8.1862 120.9823 54.6942 34.1266 174.7751 144 T 4.4926 8.3154 111.0414 59.8832 70.7537 175.6350 145 K 3.8192 8.7898 123.6349 59.4760 32.1081 177.6543 146 A 3.6892 7.6662 117.2450 57.0618 18.4464 177.5966 147 D 4.5772 7.3171 115.5006 53.5720 39.7498 178.4818 148 V 3.8349 7.2226 120.8763 65.6956 31.9852 177.7646 149 E 4.3883 8.8535 116.2857 56.7861 28.9947 177.7281 150 R 4.2678 7.8857 120.9831 57.7617 30.8361 176.6409 151 L 4.6156 8.2965 115.6906 54.6229 42.0844 176.7392 152 R 4.7927 7.4424 117.7174 55.5493 32.5653 177.8929 153 K 4.0145 8.7005 120.4426 56.5508 31.2098 178.6249 154 G 3.4815 9.2568 112.8894 47.3589 0.0000 174.4081 *155 E 4.1319 7.8356 116.7849 56.2742 30.4399 177.4957 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 5 D 8.36 4.13 0.00 2.63 2.57 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 6 F 7.98 4.90 0.00 3.13 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 7 E 9.05 3.90 0.00 2.01 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 2.35 2.27 0.00 8 E 9.13 4.10 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 9 K 8.80 4.55 0.00 1.80 1.58 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.39 7.81 10 M 8.50 4.80 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 11 I 8.18 3.94 1.86 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 1.35 0.54 0.95 0.00 0.00 12 L 7.46 4.72 0.00 1.65 1.72 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.51 5.50 1.92 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 1.07 0.80 0.97 0.00 0.00 14 R 8.68 4.78 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 15 R 8.56 5.14 0.00 1.91 1.89 0.00 2.67 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 16 T 8.46 4.94 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 1.28 0.00 0.00 17 A 8.18 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.43 4.65 0.00 1.82 1.92 0.00 2.71 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 19 M 8.16 4.53 0.00 1.96 1.97 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 2.47 2.38 0.00 20 Q 8.12 4.44 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 21 A 8.02 4.16 1.25 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 0.00 0.00 22 G 9.11 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 23 G 7.83 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 24 R 7.81 4.48 0.00 1.25 1.69 0.00 3.03 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 25 R 7.88 4.35 0.00 1.56 1.76 0.00 3.06 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 26 F 9.07 5.60 0.00 2.58 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.14 4.48 0.00 1.92 1.76 0.00 3.12 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.00 28 F 8.64 5.46 0.00 3.01 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 29 G 9.35 4.50 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 30 A 8.43 5.16 1.25 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 0.00 0.00 31 L 8.70 5.17 0.00 1.99 1.66 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.76 4.59 2.14 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 0.94 0.00 0.00 0.98 0.00 0.00 33 V 8.79 5.39 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 1.26 0.00 0.00 0.98 0.00 0.00 34 V 8.04 4.80 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 0.72 0.00 0.00 1.02 0.00 0.00 35 G 8.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.58 4.86 0.00 2.92 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.85 3.88 0.00 1.97 2.05 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 38 Q 8.23 4.53 0.00 2.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 39 G 10.01 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 0.00 0.00 0.00 40 R 7.85 5.10 0.00 1.71 1.77 0.00 3.11 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 41 V 8.38 4.86 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 0.74 0.00 0.00 0.89 0.00 0.00 42 G 8.98 4.74 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 0.00 0.00 0.00 43 L 8.40 5.13 0.00 1.65 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.30 5.28 0.00 2.98 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 46 G 9.77 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 0.00 0.00 0.00 47 K 8.46 5.70 0.00 1.53 1.66 0.00 0.61 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 0.95 7.81 48 A 8.33 4.66 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 49 P 0.00 4.53 0.00 2.14 2.20 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 50 E 7.81 4.64 0.00 2.01 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 2.21 2.18 0.00 51 V 7.84 3.29 1.73 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 0.80 0.00 0.00 -0.37 0.00 0.00 52 P 0.00 4.07 0.00 2.13 2.05 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 53 L 7.58 3.98 0.00 1.69 1.55 0.92 1.09 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 54 A 8.49 3.92 1.49 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 0.00 0.00 55 V 8.18 3.26 2.06 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 0.99 0.00 0.00 0.94 0.00 0.00 56 Q 7.75 3.95 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 57 K 9.14 4.03 0.00 1.71 1.98 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.55 1.47 7.81 58 A 8.94 4.47 1.56 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 0.00 0.00 59 G 7.93 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 60 Y 9.50 4.25 0.00 2.77 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 0.00 0.00 0.00 0.00 61 Y 7.23 4.04 0.00 3.13 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 62 A 8.63 3.94 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 63 R 8.00 4.36 0.00 1.68 1.84 0.00 3.25 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 64 R 7.26 4.31 0.00 1.55 1.78 0.00 3.31 0.00 0.00 3.17 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 65 N 5.77 4.65 0.00 2.76 2.71 0.00 0.00 7.23 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 66 M 8.02 5.93 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 67 V 7.75 4.52 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 0.71 0.00 0.00 0.91 0.00 0.00 68 E 8.78 4.08 0.00 1.99 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 2.27 2.30 0.00 69 V 8.46 4.29 2.06 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 0.81 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.18 0.00 2.20 2.11 0.00 3.85 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 1.96 2.17 0.00 71 L 7.90 4.55 0.00 1.66 1.67 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.32 4.54 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.22 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 73 N 8.97 4.23 0.00 2.86 2.92 0.00 0.00 7.28 7.98 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 74 G 8.45 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 75 T 7.22 4.39 4.30 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 1.27 0.00 0.00 76 I 8.19 4.47 1.85 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 1.55 0.93 0.95 0.00 0.00 77 P 0.00 5.24 0.00 2.34 2.15 0.00 3.40 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 78 H 7.88 4.43 0.00 3.18 3.31 0.00 5.77 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 79 E 9.13 4.11 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 80 I 8.87 4.85 1.91 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 1.23 0.91 1.10 0.00 0.00 81 E 8.65 5.43 0.00 1.84 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 2.20 2.11 0.00 82 V 8.21 4.33 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 1.07 0.00 0.00 0.95 0.00 0.00 83 E 8.92 4.81 0.00 1.93 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 2.28 2.32 0.00 84 F 8.71 4.91 0.00 2.83 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 85 G 8.06 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 86 A 6.90 4.24 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 87 S 7.71 4.87 0.00 3.86 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 88 K 8.48 4.83 0.00 2.02 1.64 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.21 4.95 1.88 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 1.11 1.30 0.95 0.00 0.00 90 V 8.29 4.80 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 1.02 0.00 0.00 1.01 0.00 0.00 91 L 9.24 5.20 0.00 1.77 1.53 0.92 0.38 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 92 K 8.28 4.71 0.00 1.85 1.59 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 93 P 0.00 4.42 0.00 1.98 2.02 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 94 A 7.90 4.32 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 95 A 8.91 4.14 1.25 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 0.00 0.00 96 P 0.00 4.65 0.00 2.05 2.02 0.00 3.81 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 97 G 8.80 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 0.00 0.00 0.00 98 T 8.13 4.30 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 1.21 0.00 0.00 99 G 8.40 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 0.00 100 V 7.86 4.51 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 0.73 0.00 0.00 0.93 0.00 0.00 101 I 7.78 4.51 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.91 0.00 0.00 102 A 8.11 4.36 1.18 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 0.00 103 G 8.28 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 0.00 0.00 0.00 104 A 8.55 4.73 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 0.00 105 V 7.65 4.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 106 P 0.00 4.43 0.00 2.29 2.27 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 107 R 7.60 3.85 0.00 1.78 2.23 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 108 A 7.97 4.18 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 0.00 109 I 7.23 4.27 2.01 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 1.63 0.97 0.90 0.00 0.00 110 L 8.46 3.96 0.00 1.75 1.73 0.91 1.19 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 0.00 111 E 8.50 4.05 0.00 2.04 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 2.32 2.47 0.00 112 L 7.72 4.02 0.00 1.69 1.71 0.98 1.16 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 0.00 113 A 8.13 4.11 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 G 7.05 3.36 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 0.00 115 V 7.26 3.99 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 0.87 0.00 0.00 0.92 0.00 0.00 116 T 9.70 4.69 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 0.00 117 D 7.59 5.22 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 9.02 4.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.91 0.00 0.00 119 L 8.33 5.05 0.00 1.57 1.51 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.26 5.56 4.31 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 1.22 0.00 0.00 121 K 8.40 4.62 0.00 1.87 1.57 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.83 4.89 0.00 1.87 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 2.22 2.31 0.00 123 L 8.65 4.36 0.00 1.54 1.57 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.30 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 0.00 0.00 0.00 0.00 125 S 6.38 4.87 0.00 3.81 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 0.00 126 R 8.35 4.33 0.00 1.78 1.86 0.00 3.28 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 127 N 8.55 4.21 0.00 2.70 2.75 0.00 0.00 7.13 7.55 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 0.00 128 P 0.00 4.33 0.00 2.11 2.06 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 129 I 7.47 3.35 1.66 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.46 0.00 0.00 130 N 7.93 4.44 0.00 3.02 3.03 0.00 0.00 7.07 7.32 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 0.00 131 I 8.14 3.63 1.93 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 1.46 0.95 0.93 0.00 0.00 132 A 7.85 3.89 1.18 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 0.00 133 Y 7.43 4.30 0.00 2.66 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 0.00 0.00 0.00 134 A 8.22 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 0.00 135 T 8.36 3.76 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 1.20 0.00 0.00 136 M 8.71 3.53 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 137 E 7.51 3.68 0.00 2.10 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 2.26 2.54 0.00 138 A 8.33 4.08 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 0.00 139 L 7.91 4.04 0.00 1.68 1.73 0.90 0.76 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 0.00 140 R 8.08 4.00 0.00 1.76 2.13 0.00 3.65 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 141 Q 8.27 4.66 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 142 L 7.60 4.50 0.00 1.70 1.52 0.88 0.67 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 0.00 143 R 8.19 4.70 0.00 1.79 1.79 0.00 3.37 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 144 T 8.32 4.49 4.30 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 1.22 0.00 0.00 145 K 8.79 3.82 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.31 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.47 7.81 146 A 7.67 3.69 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 0.00 147 D 7.32 4.58 0.00 2.83 2.80 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 0.00 148 V 7.22 3.83 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 149 E 8.85 4.39 0.00 2.07 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 2.56 2.25 0.00 150 R 7.89 4.27 0.00 1.79 2.05 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 151 L 8.30 4.62 0.00 1.66 1.67 0.95 0.98 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 0.00 152 R 7.44 4.79 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 153 K 8.70 4.01 0.00 1.74 1.42 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.38 7.81 154 G 9.26 3.48 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 *155 E 7.84 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.