NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6989 8.4244 119.2046 52.2818 41.2054 173.4093 4 E 4.5107 7.6703 118.7957 54.1580 33.2187 173.4841 5 D 4.4816 9.3459 126.4582 54.5712 42.3072 176.1659 6 L 4.0414 8.3527 123.2198 55.5187 42.3507 176.8597 7 F 5.1145 7.6038 116.2219 55.5660 41.7418 175.1791 8 I 4.1114 8.8529 126.9217 63.7032 37.6279 175.6032 9 C 4.7066 7.5217 114.1131 57.5682 32.3796 172.5723 10 I 4.2752 8.3465 120.4861 61.3742 36.7312 176.0174 11 D 4.7477 9.6557 128.9389 57.3290 41.9829 175.4903 12 H 5.8609 7.7673 109.4851 55.8525 31.3389 172.8829 13 V 4.5241 8.4106 119.2134 61.1849 33.8858 174.0745 14 A 4.9161 9.1743 130.5018 51.2257 20.5272 175.1766 15 Y 5.0869 9.3800 123.0180 55.6983 41.6052 173.9713 16 A 4.5782 8.1067 128.6892 50.6966 21.3965 175.5779 17 C 4.3213 7.8290 114.9751 56.5499 32.8742 173.3636 18 P 4.1977 0.0000 0.0000 64.9440 31.2844 177.3128 19 D 4.5518 7.7760 116.8819 51.4209 44.0213 175.3037 20 A 3.9412 8.5857 129.3679 55.5396 18.5517 178.7425 21 D 4.4023 8.1476 116.9321 57.4185 41.0138 178.5205 22 E 3.9276 9.1439 119.9903 59.3036 29.5826 178.8350 23 A 4.1804 8.0008 120.8603 55.1035 18.4227 179.5861 24 S 4.0535 8.7296 112.3042 61.4243 62.4626 176.5240 25 K 4.0229 8.4219 121.8974 60.1114 32.2506 178.4737 26 Y 3.9831 8.0550 120.3242 60.7660 38.7530 177.6437 27 Y 3.7301 8.5343 117.8836 60.9302 37.7655 178.6984 28 Q 4.4694 8.2033 120.3467 58.5839 28.7337 178.5090 29 E 3.8829 8.1305 118.3770 59.7805 29.6516 179.2931 30 T 3.8559 7.1692 113.9415 65.7034 68.7390 175.9688 31 F 4.7749 7.4189 116.1620 56.9964 39.7799 176.4407 32 G 3.9096 7.9201 108.4195 46.1146 0.0000 173.7728 33 W 4.7695 8.2741 120.1017 55.9459 31.2743 174.8486 34 H 5.1716 9.6386 118.1816 54.0867 31.3930 173.4891 35 E 4.4649 8.9424 123.1394 55.6398 29.8856 175.8986 36 L 4.6005 8.5441 125.7840 54.2728 43.3270 175.9364 37 H 4.5570 7.2891 117.9091 55.6012 32.2403 172.5329 38 R 5.0361 8.1098 125.5466 54.7427 33.2370 173.6270 39 E 4.7010 8.8986 125.2016 55.2251 33.6843 173.2561 40 E 4.9041 8.7797 125.8279 54.7885 31.4907 176.1850 41 N 4.8598 8.9383 123.2621 50.4937 38.4546 172.7506 42 P 4.1939 0.0000 0.0000 65.3570 32.1417 177.4117 43 E 4.0882 8.3214 116.6571 59.4196 29.5858 178.0359 44 Q 4.0564 7.9187 116.5577 56.9859 29.1456 176.4701 45 G 3.8474 9.6148 106.3473 45.8046 0.0000 172.9709 46 V 5.0325 7.5050 110.0748 59.4703 36.6882 174.3270 47 V 4.7227 8.5476 122.7060 60.0160 33.4550 174.9089 48 E 4.9457 9.0409 123.3658 54.9093 33.2281 175.2171 49 I 5.7036 8.5413 123.5323 58.7331 41.5367 174.2980 *52 A 4.2895 8.4534 123.9978 52.0065 19.3516 176.2588 53 P 2.9700 0.0000 0.0000 63.7938 31.5557 176.0578 54 A 4.5882 7.0870 119.9247 49.9022 22.4089 175.7776 55 A 3.8260 8.3560 122.3406 54.4966 18.6273 178.4824 56 K 4.4983 7.5334 113.9424 54.3846 33.8108 176.3172 57 L 4.0886 8.3202 124.2563 54.7239 42.2294 177.0398 58 T 4.3489 8.0344 113.1966 59.9773 70.5617 174.1903 59 E 3.8466 8.7647 122.6622 58.8962 29.4669 176.6840 60 H 4.7057 7.9003 114.9169 54.0494 30.5676 173.6454 *62 T 4.4120 8.2486 120.4843 63.5900 69.6853 173.1624 63 Q 4.9562 8.6586 123.1823 54.2930 32.6872 174.3420 64 V 4.8316 8.6941 120.2007 61.4352 33.5228 174.3555 65 Q 4.6690 9.0435 129.9366 54.8056 30.6732 175.3136 66 V 4.8966 8.9000 127.1555 60.9169 34.2929 174.0583 *68 A 5.0555 8.4730 122.6611 50.8143 19.9076 174.5232 69 P 4.5109 0.0000 0.0000 63.1806 31.5585 175.8993 70 L 4.5336 8.9037 124.0973 55.8790 43.1633 176.0784 71 N 4.7009 7.8595 117.4319 52.3434 38.4875 173.9123 72 D 4.8099 8.7676 113.7849 54.7802 42.8515 176.6966 73 E 4.3463 9.8227 117.5090 56.6575 30.3229 177.4184 74 S 4.3095 7.9583 114.8309 58.6997 64.8445 175.2376 75 T 3.8995 8.3846 119.9355 66.7048 68.1990 177.0735 76 V 3.5706 7.8137 119.5222 65.9853 31.5176 177.6791 77 A 4.0369 7.8598 119.8551 55.3458 18.2697 179.8224 78 K 3.9515 8.1087 116.8737 59.1003 31.8412 179.5243 79 W 4.0414 8.6317 129.2003 60.5016 30.6431 178.0049 80 L 4.0447 8.6658 119.1615 57.8014 41.0275 179.3781 81 A 3.9257 8.2099 120.7294 55.0989 18.1549 179.5996 82 K 3.8243 7.8650 116.4237 58.6904 32.4615 177.1167 83 H 4.4330 7.2189 114.9477 54.6919 29.4467 174.0126 84 N 4.0833 8.6956 115.4726 54.5355 35.9213 175.3602 85 G 3.7868 8.4783 103.1945 45.8278 0.0000 173.8250 86 R 4.0280 7.5457 119.5919 55.4108 28.7939 175.5380 87 A 4.3305 8.5067 126.9628 52.3409 19.4748 176.3606 88 G 4.2812 8.4134 106.1832 45.6501 0.0000 172.3165 89 L 4.5539 8.9914 120.2376 56.0414 41.3847 176.6880 90 H 4.2411 9.3175 124.8579 57.1725 30.5092 173.8001 91 H 4.3645 7.6841 117.3163 55.0996 35.2358 172.9562 *93 A 4.3645 8.5757 117.9319 51.4060 20.4280 175.1759 94 W 5.3092 8.8859 122.7328 54.8103 31.6192 175.6365 95 R 4.7895 9.4097 126.5142 56.5073 30.7337 175.6141 96 V 4.7732 8.6744 118.5530 59.7785 34.9799 175.5817 97 D 4.3509 8.8767 122.7019 56.6223 41.6056 176.4051 98 D 4.8083 7.6604 119.4358 51.5321 43.1758 175.1403 99 I 3.6893 9.0630 128.5105 63.9902 38.0406 177.2547 100 D 4.3251 8.1767 119.0258 57.3036 40.7457 178.4417 101 A 3.9347 8.2874 121.0766 55.2841 18.3798 179.8856 102 V 3.4731 7.8471 116.7333 66.2127 31.4603 178.4247 103 S 4.1274 8.5887 115.2197 61.3470 62.5899 176.4878 104 A 3.9820 7.9861 123.5443 55.5487 18.2582 179.8813 105 T 3.8315 7.9068 114.2428 66.6416 68.4185 177.0055 106 L 4.0453 8.1357 121.0125 57.9814 41.6279 179.8266 107 R 4.4007 8.1700 119.4977 58.8851 29.7929 179.0013 108 E 4.0608 8.3005 117.1601 58.5443 29.4005 178.4141 109 R 4.5253 7.5479 116.7058 55.6599 30.4052 177.2427 110 G 3.9214 8.1076 106.7876 45.4112 0.0000 174.3253 111 V 3.8957 8.0253 120.4688 62.1926 32.2893 174.7064 112 Q 4.6480 8.4076 125.5044 54.1716 30.2579 175.3516 113 L 4.7742 7.9718 122.0537 52.8218 44.1432 176.6565 114 L 4.0296 8.9812 123.7727 58.1155 42.1607 177.0257 115 Y 4.9593 7.9569 115.2369 56.4880 39.3869 175.8273 116 D 4.5816 8.9271 123.3083 56.6542 41.3100 176.7593 117 E 4.8157 7.7956 115.8526 53.2789 33.0537 173.6142 118 P 4.5459 0.0000 0.0000 63.4003 32.0614 175.6536 119 K 4.4274 9.2531 124.5339 54.6391 35.3303 174.5846 120 L 4.7780 8.2701 123.2901 53.8482 42.5743 177.1417 121 G 4.0612 9.3389 112.1087 44.5708 0.0000 172.9586 122 T 4.1828 8.3229 115.4301 62.9307 67.5052 173.6099 123 G 3.8031 9.9103 116.5272 45.3341 0.0000 174.5389 124 G 3.9491 8.2601 107.9868 44.8783 0.0000 173.4795 125 N 4.6970 7.6480 116.8885 52.8755 40.4767 174.0733 126 R 4.9320 8.5061 120.5504 55.3369 32.0566 175.8403 127 I 5.4846 9.0978 116.5879 58.9621 41.9975 173.0247 128 N 5.2237 7.9587 119.4474 53.0811 42.4077 172.0608 129 F 5.0515 8.0897 120.8449 55.6673 43.3981 174.1442 *131 H 4.8011 8.7229 119.7462 55.9579 30.2232 172.0865 132 P 4.2241 0.0000 0.0000 66.1766 31.0242 179.2183 133 K 4.0329 8.0602 116.2080 59.5172 31.7367 179.3241 134 S 4.3499 8.1681 114.6737 60.3602 63.2138 175.6951 135 G 3.8131 7.8791 108.2133 42.3326 0.0000 173.0630 136 K 3.8806 8.5000 119.0532 57.4238 29.4413 176.3939 137 G 4.0310 8.4251 106.4878 44.8015 0.0000 173.0647 138 V 4.3520 7.0666 118.2542 59.3656 33.6554 174.7019 139 L 4.3948 8.3639 124.3678 54.4214 41.9372 175.8414 140 I 4.1066 8.1408 127.0556 59.3077 39.3108 174.0941 141 E 4.2945 8.2795 126.1440 54.6502 31.9505 174.2189 142 L 5.2674 8.5880 125.2965 53.4533 44.5425 175.4746 143 T 5.0221 8.6273 116.3839 60.6047 71.4648 172.1182 144 Q 4.9756 8.8983 128.8801 54.5163 32.2413 174.1481 145 Y 4.5558 8.8788 123.5210 56.6392 39.1507 173.7078 146 P 4.1786 0.0000 0.0000 64.3856 32.0919 176.8093 147 K 4.2455 8.7036 119.8129 56.8739 31.4402 176.2922 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 3 N 8.42 4.70 0.00 2.70 2.73 0.00 0.00 6.73 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.67 4.51 0.00 1.98 1.72 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 2.16 2.37 0.00 5 D 9.35 4.48 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.35 4.04 0.00 0.91 0.92 0.87 0.68 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 7 F 7.60 5.11 0.00 2.87 2.85 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 0.00 0.00 0.00 0.00 8 I 8.85 4.11 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.94 0.00 0.00 9 C 7.52 4.71 0.00 2.97 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 10 I 8.35 4.28 1.93 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 1.14 0.42 1.12 0.00 0.00 11 D 9.66 4.75 0.00 2.95 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 12 H 7.77 5.86 0.00 3.33 3.30 0.00 5.14 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 13 V 8.41 4.52 2.17 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 1.16 0.00 0.00 1.03 0.00 0.00 14 A 9.17 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.38 5.09 0.00 2.93 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 16 A 8.11 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.83 4.32 0.00 2.84 2.34 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 18 P 0.00 4.20 0.00 2.05 2.14 0.00 3.61 0.00 0.00 3.55 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 19 D 7.78 4.55 0.00 2.63 2.46 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 0.00 20 A 8.59 3.94 1.30 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 0.00 0.00 21 D 8.15 4.40 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.14 3.93 0.00 2.10 2.18 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 2.31 2.34 0.00 23 A 8.00 4.18 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 24 S 8.73 4.05 0.00 3.86 4.04 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 25 K 8.42 4.02 0.00 2.23 2.18 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.57 7.81 26 Y 8.05 3.98 0.00 3.21 3.28 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 27 Y 8.53 3.73 0.00 3.30 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 28 Q 8.20 4.47 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 29 E 8.13 3.88 0.00 1.80 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 0.00 2.33 2.33 0.00 30 T 7.17 3.86 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 0.71 0.00 0.00 31 F 7.42 4.77 0.00 2.95 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 32 G 7.92 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 33 W 8.27 4.77 0.00 3.66 3.51 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 34 H 9.64 5.17 0.00 2.99 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.94 4.46 0.00 2.05 1.92 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 2.31 2.39 0.00 36 L 8.54 4.60 0.00 1.72 1.73 1.04 1.16 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 37 H 7.29 4.56 0.00 3.17 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.11 5.04 0.00 1.93 1.67 0.00 3.31 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 1.46 1.57 0.00 39 E 8.90 4.70 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 40 E 8.78 4.90 0.00 1.88 1.85 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 0.00 2.23 2.27 0.00 41 N 8.94 4.86 0.00 2.64 2.67 0.00 0.00 6.92 7.74 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 42 P 0.00 4.19 0.00 2.07 2.14 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 43 E 8.32 4.09 0.00 1.92 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 2.29 2.34 0.00 44 Q 7.92 4.06 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.06 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 45 G 9.61 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.51 5.03 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 0.67 0.00 0.00 0.92 0.00 0.00 47 V 8.55 4.72 2.07 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 0.75 0.00 0.00 0.92 0.00 0.00 48 E 9.04 4.95 0.00 1.92 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 2.18 2.23 0.00 49 I 8.54 5.70 1.86 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 1.10 1.90 1.04 0.00 0.00 *52 A 8.45 4.29 1.24 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 53 P 0.00 2.97 0.00 1.63 0.87 0.00 3.30 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 54 A 7.09 4.59 1.07 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 0.00 0.00 55 A 8.36 3.83 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 0.00 0.00 0.00 0.00 0.00 56 K 7.53 4.50 0.00 1.68 1.69 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.39 7.81 57 L 8.32 4.09 0.00 1.58 1.54 0.90 0.89 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 58 T 8.03 4.35 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 1.17 0.00 0.00 59 E 8.76 3.85 0.00 1.88 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 2.18 2.22 0.00 60 H 7.90 4.71 0.00 3.10 3.20 0.00 5.98 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 *62 T 8.25 4.41 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 1.37 0.00 0.00 63 Q 8.66 4.96 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 64 V 8.69 4.83 2.18 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 0.67 0.00 0.00 1.07 0.00 0.00 65 Q 9.04 4.67 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.43 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 66 V 8.90 4.90 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 1.23 0.00 0.00 0.83 0.00 0.00 *68 A 8.47 5.06 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 69 P 0.00 4.51 0.00 2.25 2.15 0.00 3.84 0.00 0.00 3.56 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 70 L 8.90 4.53 0.00 1.72 1.72 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.86 4.70 0.00 2.79 2.64 0.00 0.00 5.90 8.06 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 72 D 8.77 4.81 0.00 2.66 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 73 E 9.82 4.35 0.00 2.06 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 2.30 2.38 0.00 74 S 7.96 4.31 0.00 4.05 4.08 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 75 T 8.38 3.90 4.22 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 1.23 0.00 0.00 76 V 7.81 3.57 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 1.11 0.00 0.00 0.81 0.00 0.00 77 A 7.86 4.04 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 78 K 8.11 3.95 0.00 2.06 1.90 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.67 7.81 79 W 8.63 4.04 0.00 3.54 3.46 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 0.00 80 L 8.67 4.04 0.00 1.98 1.77 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.21 3.93 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 82 K 7.86 3.82 0.00 1.61 1.68 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.99 1.26 7.81 83 H 7.22 4.43 0.00 2.80 2.93 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.70 4.08 0.00 2.80 2.82 0.00 0.00 6.86 7.19 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 85 G 8.48 3.79 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 0.00 0.00 0.00 86 R 7.55 4.03 0.00 1.84 1.99 0.00 3.27 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 87 A 8.51 4.33 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 88 G 8.41 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 0.00 0.00 0.00 0.00 89 L 8.99 4.55 0.00 1.65 1.72 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 H 9.32 4.24 0.00 2.31 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.68 4.36 0.00 3.47 3.04 0.00 5.54 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 *93 A 8.58 4.36 1.04 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 0.00 0.00 94 W 8.89 5.31 0.00 3.07 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 95 R 9.41 4.79 0.00 2.04 1.94 0.00 3.12 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 96 V 8.67 4.77 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 0.87 0.00 0.00 1.02 0.00 0.00 97 D 8.88 4.35 0.00 2.62 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 98 D 7.66 4.81 0.00 2.68 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 99 I 9.06 3.69 1.88 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 1.54 1.35 0.98 0.00 0.00 100 D 8.18 4.33 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.29 3.93 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 0.00 102 V 7.85 3.47 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 0.87 0.00 0.00 0.83 0.00 0.00 103 S 8.59 4.13 0.00 4.04 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 0.00 104 A 7.99 3.98 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 0.00 105 T 7.91 3.83 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 1.21 0.00 0.00 106 L 8.14 4.05 0.00 1.86 1.78 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.17 4.40 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 108 E 8.30 4.06 0.00 2.06 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 2.64 0.00 109 R 7.55 4.53 0.00 1.99 1.97 0.00 3.24 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 110 G 8.11 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 0.00 111 V 8.03 3.90 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 0.96 0.00 0.00 0.98 0.00 0.00 112 Q 8.41 4.65 0.00 1.95 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 113 L 7.97 4.77 0.00 1.60 1.72 0.94 1.00 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 0.00 114 L 8.98 4.03 0.00 1.55 1.10 0.15 0.90 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 0.00 115 Y 7.96 4.96 0.00 3.15 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 0.00 116 D 8.93 4.58 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.80 4.82 0.00 1.91 1.81 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 2.22 2.24 0.00 118 P 0.00 4.55 0.00 1.93 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 119 K 9.25 4.43 0.00 1.14 1.44 0.00 0.91 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.15 7.81 120 L 8.27 4.78 0.00 1.53 1.56 0.90 0.84 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 0.00 121 G 9.34 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 0.00 0.00 0.00 122 T 8.32 4.18 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 1.27 0.00 0.00 123 G 9.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.26 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.65 4.70 0.00 2.49 2.56 0.00 0.00 7.06 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 0.00 126 R 8.51 4.93 0.00 1.75 1.82 0.00 3.06 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 127 I 9.10 5.48 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.32 0.90 0.00 0.00 128 N 7.96 5.22 0.00 2.82 2.66 0.00 0.00 6.62 7.71 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 0.00 129 F 8.09 5.05 0.00 2.79 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 *131 H 8.72 4.80 0.00 3.20 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.22 0.00 2.13 2.11 0.00 3.55 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 2.07 2.16 0.00 133 K 8.06 4.03 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 134 S 8.17 4.35 0.00 4.03 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 0.00 135 G 7.88 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 0.00 136 K 8.50 3.88 0.00 1.88 1.90 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.54 7.81 137 G 8.43 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 0.00 0.00 0.00 0.00 138 V 7.07 4.35 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 0.89 0.00 0.00 139 L 8.36 4.39 0.00 1.58 1.61 0.67 1.07 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 0.00 140 I 8.14 4.11 1.43 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.98 -0.50 0.00 0.00 141 E 8.28 4.29 0.00 1.57 1.62 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 1.95 1.47 0.00 142 L 8.59 5.27 0.00 1.54 1.60 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.63 5.02 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 1.28 0.00 0.00 144 Q 8.90 4.98 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 145 Y 8.88 4.56 0.00 2.90 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 0.00 146 P 0.00 4.18 0.00 2.09 2.04 0.00 3.90 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 2.08 2.30 0.00 147 K 8.70 4.25 0.00 1.95 1.95 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.