NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4574 8.3049 120.3504 55.3472 33.5005 175.4475 2 E 3.9854 8.9590 125.6499 58.0468 29.9491 175.7227 3 L 4.8123 8.5157 117.7412 52.7000 45.2639 175.3294 4 I 4.4744 8.3003 122.5496 59.4970 39.3604 174.9053 5 R 4.4344 8.5538 125.9550 54.6605 31.2575 174.9512 6 F 4.9394 7.7107 118.2405 56.0854 40.7945 173.1473 7 S 4.8304 8.4985 116.6596 57.0605 65.2219 173.6079 8 I 4.6541 7.8516 120.3535 59.8283 40.7862 174.0287 9 S 4.8375 8.4684 121.6711 56.7256 65.0231 173.6024 10 I 4.6020 7.9028 123.1720 57.4454 41.1879 173.3853 11 P 4.3397 0.0000 0.0000 62.6561 32.7877 177.5470 12 S 4.1229 8.7651 117.4479 61.7555 62.6615 176.9391 13 K 3.8901 8.0688 121.5291 59.1292 31.8327 178.8141 14 L 3.9649 7.8461 119.9007 58.1488 42.0219 178.6304 15 L 4.0941 7.9852 120.2863 57.8907 41.9719 178.7448 16 E 3.9635 8.5258 119.1117 59.3071 29.4736 179.1497 17 K 3.9392 7.8668 119.2209 59.5017 32.2872 178.4625 18 F 4.2318 8.2712 120.8697 61.4923 39.3296 176.8077 19 D 4.1865 8.5185 118.7705 57.2128 40.7377 178.3683 20 Q 3.8969 8.1210 119.9771 59.3272 29.0444 178.4395 21 I 3.6657 7.6343 120.7563 64.5445 37.2453 178.6207 22 I 3.8874 7.4635 113.4583 63.7413 37.3008 178.1615 23 E 3.9340 8.0419 120.6977 59.2741 29.0894 178.8049 24 E 3.9234 7.7319 116.9077 59.7624 29.7053 179.3097 25 I 3.7946 7.4113 118.1351 62.8497 37.0551 177.2150 26 G 4.0055 7.5592 106.7737 45.4027 0.0000 173.1782 27 Y 4.2742 7.6733 116.8473 57.7338 38.3416 176.2123 28 E 4.2467 9.5386 123.8200 58.7225 30.3912 176.3652 29 N 4.8655 7.7749 113.7658 50.4450 40.0768 175.3894 30 R 4.0299 8.5442 117.7758 59.5866 30.0235 179.5016 31 S 4.0659 8.0512 114.4898 61.3348 62.7780 176.4842 32 E 3.9389 8.6530 121.3746 59.2415 29.2297 179.0964 33 A 2.9921 6.8687 119.2443 55.0668 18.3095 179.8058 34 I 3.6501 7.8896 118.3773 64.3370 37.1148 178.5965 35 R 3.9036 8.0422 119.6508 59.6748 29.9133 178.3874 36 D 4.4463 8.0739 118.6165 57.3375 40.8333 178.7236 37 L 4.0943 8.2103 119.6868 57.8625 41.5762 179.7044 38 I 3.7728 8.1706 120.2026 64.2294 37.0550 178.4492 39 R 3.9126 8.1351 119.5786 59.5888 29.8727 178.2934 40 D 4.3360 8.2668 118.6860 57.2099 40.8042 178.4836 41 F 4.0528 8.3085 121.1028 61.3992 39.1949 177.1588 42 I 3.6111 7.7774 117.9048 64.4332 37.2849 178.0856 43 I 3.5573 7.6132 120.4139 64.5264 36.7234 178.8437 44 R 2.5100 7.4178 117.2906 58.2093 29.7562 177.7834 45 H 4.4365 7.1278 113.7533 55.5071 28.9020 175.3598 46 E 4.4628 7.2634 120.5588 56.3266 31.2463 176.9027 47 W 4.4945 7.7403 118.2852 57.0525 29.5704 175.2632 48 E 4.4521 8.7144 123.0336 55.7049 30.1087 176.1879 49 V 4.3145 8.5536 115.3211 60.5497 34.9269 177.1914 50 G 4.0250 10.6249 106.0650 44.4665 0.0000 174.4972 51 N 4.8553 8.2907 122.0313 54.6012 41.4948 174.9192 52 E 4.2916 8.1209 117.1346 56.1004 31.6502 174.3038 53 E 4.8325 8.6284 119.8822 55.7510 31.2105 175.9736 54 V 4.8598 9.2201 118.8097 59.7129 36.9956 173.9578 55 A 5.1154 8.8156 123.1925 50.6674 22.5098 175.7498 56 G 4.4962 9.1302 107.5064 45.9965 0.0000 171.6644 57 T 5.3062 8.8803 108.7637 59.9184 72.7327 173.2776 58 I 4.8495 8.8241 124.3165 60.1184 40.3727 174.4129 59 T 5.1579 8.7992 124.9972 62.0442 70.5372 174.2180 60 I 5.3891 9.0996 119.1563 59.3181 41.8392 174.2622 61 V 4.9797 8.6090 122.9799 60.4053 34.6621 173.9405 62 Y 4.9778 8.1048 120.0346 56.3060 42.1821 172.7607 63 N 5.3445 8.7962 119.3640 52.4785 39.5672 175.3303 64 H 4.6576 9.1420 123.1927 57.9124 28.8066 175.8497 65 D 4.6622 8.6458 119.3639 54.1596 41.1379 175.6889 66 E 4.3118 8.4176 122.3560 56.5352 31.4363 176.2021 67 G 3.9985 8.0971 114.6428 46.9636 0.0000 173.7704 68 D 5.0072 8.2598 120.2762 52.2820 40.1466 178.7789 69 V 3.5180 7.6254 123.0010 66.0869 31.2838 177.3882 70 V 3.4460 7.6296 118.2908 65.5082 31.3783 177.8254 71 K 3.9239 7.9561 118.6545 59.3179 32.1244 178.4394 72 A 3.9523 8.3190 121.4997 55.1355 18.3300 179.4976 73 L 3.8849 8.2471 117.7772 57.9331 41.6221 179.8315 74 L 4.0336 7.7421 118.2796 57.9925 41.3929 179.2808 75 D 4.3429 8.0358 117.5162 57.3309 40.9243 178.3788 76 L 4.1601 8.1469 120.8367 58.3543 42.1027 179.1084 77 Q 4.1561 8.2800 118.0247 59.2574 28.5044 178.0280 78 H 4.3161 8.4923 115.6502 57.7193 28.7889 176.9192 79 E 4.0400 7.7142 120.0523 57.4528 30.5535 176.3485 80 Y 4.8348 7.5617 116.9985 56.6824 38.2173 177.2085 81 L 4.0617 7.9309 120.1806 57.9676 42.4999 179.3674 82 D 4.5312 8.1589 117.5748 57.0489 41.2475 177.2703 83 E 4.5397 8.1202 117.3036 57.5079 30.1326 176.2056 84 I 4.4801 7.6799 120.2340 60.7118 37.4553 175.6814 85 I 4.0219 8.6404 127.5747 63.6485 37.3580 176.3809 86 S 4.7627 7.5789 115.0343 57.9669 67.4563 173.7224 87 S 5.0898 8.5123 114.8014 56.7723 65.9595 172.9315 88 L 4.7438 9.0939 125.1555 53.6517 44.1284 174.3290 89 H 5.3403 8.8292 125.1594 54.3030 32.7878 172.5528 90 V 4.3162 8.5570 125.0215 61.3249 34.4891 174.2666 91 H 4.8550 8.7442 125.4834 55.2489 28.4226 175.1993 92 M 4.2031 8.7616 125.7957 57.9261 31.8002 176.1595 93 D 4.5927 7.5850 115.2353 52.2350 41.8958 174.3797 94 E 3.6661 8.8956 118.7598 59.6028 29.6658 177.6701 95 H 4.8645 8.2519 113.9064 56.3352 32.1891 174.3320 96 N 5.2815 9.8112 117.0407 52.5526 40.2325 174.4647 97 C 5.1878 8.8428 120.2505 57.6781 32.3771 172.5902 98 L 5.0364 8.4159 123.8989 53.2148 44.6111 174.7468 99 E 5.1583 9.4993 126.1435 54.4105 33.7646 174.1586 100 V 4.8766 8.9831 125.6252 61.2762 34.6776 173.9495 101 I 4.8291 8.9304 129.6048 59.7209 39.2689 174.8408 102 V 4.5647 8.6824 128.0696 62.0350 33.0277 175.2286 103 V 5.2297 9.0251 120.4844 59.6793 36.3133 174.5776 104 K 4.9287 8.9009 120.7718 54.8008 36.2912 176.7747 105 G 3.9948 8.2115 109.8475 44.5950 0.0000 170.6537 106 E 4.5120 8.1211 119.3049 55.9928 30.9757 177.3457 107 A 3.9528 8.7571 126.2062 55.3905 18.4240 179.9060 108 K 3.8285 7.4834 114.5512 59.7283 32.2848 179.0454 109 K 3.9338 7.9511 119.3208 59.3415 32.1315 178.6838 110 I 3.5806 7.8966 120.2851 64.2106 37.0126 178.1726 111 K 3.8809 8.0687 120.4402 59.7631 32.0267 178.4548 112 M 3.9807 7.9275 118.2590 58.5937 32.1784 178.3239 113 I 3.3718 7.8391 119.9717 64.1977 37.1572 178.2072 114 A 3.9879 8.2835 122.0154 55.2538 18.1794 179.3291 115 D 4.3243 8.2586 117.3931 57.5457 40.6912 179.2985 116 K 4.0104 7.7216 117.5122 59.3217 32.4820 179.1919 117 L 4.1426 7.9463 119.1568 57.9767 41.4400 179.7121 118 L 4.1760 8.1211 117.4643 56.7395 41.5827 178.5777 119 S 4.6132 7.4850 111.7730 57.1139 64.0541 174.2997 120 L 4.0868 7.3545 123.8540 54.3953 41.9981 176.5259 121 K 4.1576 8.4017 124.5202 57.7511 32.6755 176.0429 122 G 4.3810 8.9692 113.7666 44.8399 0.0000 173.9042 123 V 3.9340 7.3743 119.8103 62.2842 31.6805 175.9881 124 K 4.1872 8.8825 128.1697 59.7202 32.4352 176.5819 125 H 4.7607 7.1711 115.6086 55.2972 33.1456 172.6685 126 G 4.3410 7.7765 108.8011 46.5157 0.0000 172.4357 127 K 4.8170 8.2772 118.6881 54.7326 37.0449 175.0069 128 L 5.0318 8.4758 124.7737 53.5168 44.2900 175.7429 129 V 4.4037 8.7763 124.8949 61.5333 34.3445 173.8057 130 M 5.0117 8.7303 127.3410 53.8948 34.4434 175.2024 131 T 4.6486 8.7923 116.4068 60.6674 72.1993 172.2344 132 S 4.9419 8.4704 120.6495 56.4815 63.6545 174.7368 133 T 3.9604 8.8473 116.4592 62.9984 69.1235 175.8761 134 G 3.9830 8.1208 116.3803 45.9424 0.0000 173.6819 135 K 4.2988 8.4076 122.4601 54.9227 33.3601 176.0267 136 E 3.7494 8.6926 125.0897 56.9724 30.3078 177.7650 *137 L 4.1530 8.2954 121.4194 54.5688 41.6744 177.7749 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.46 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 2 E 8.96 3.99 0.00 2.09 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 2.32 2.35 0.00 3 L 8.52 4.81 0.00 1.60 1.55 0.92 0.77 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 4 I 8.30 4.47 1.99 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 1.34 0.65 1.05 0.00 0.00 5 R 8.55 4.43 0.00 1.75 1.82 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 6 F 7.71 4.94 0.00 3.10 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 7 S 8.50 4.83 0.00 3.90 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 8 I 7.85 4.65 1.98 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 1.40 0.70 0.87 0.00 0.00 9 S 8.47 4.84 0.00 3.86 3.73 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 10 I 7.90 4.60 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.88 0.00 0.00 11 P 0.00 4.34 0.00 2.18 1.96 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 12 S 8.77 4.12 0.00 4.05 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 13 K 8.07 3.89 0.00 1.79 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.46 7.81 14 L 7.85 3.96 0.00 1.75 1.82 0.92 0.47 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 15 L 7.99 4.09 0.00 1.83 1.82 1.01 1.03 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 16 E 8.53 3.96 0.00 2.23 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 2.55 0.00 17 K 7.87 3.94 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 18 F 8.27 4.23 0.00 3.21 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 19 D 8.52 4.19 0.00 2.89 2.87 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 0.00 0.00 0.00 20 Q 8.12 3.90 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 21 I 7.63 3.67 1.91 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 1.58 0.55 0.91 0.00 0.00 22 I 7.46 3.89 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.04 0.00 0.00 23 E 8.04 3.93 0.00 2.22 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 2.31 2.47 0.00 24 E 7.73 3.92 0.00 2.11 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 2.33 2.59 0.00 25 I 7.41 3.79 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.57 0.00 0.00 26 G 7.56 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.67 4.27 0.00 3.15 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 28 E 9.54 4.25 0.00 2.11 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 0.00 2.35 2.27 0.00 29 N 7.77 4.87 0.00 2.89 2.87 0.00 0.00 6.29 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 30 R 8.54 4.03 0.00 1.88 2.13 0.00 3.15 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 31 S 8.05 4.07 0.00 3.99 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 32 E 8.65 3.94 0.00 2.17 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 2.39 2.59 0.00 33 A 6.87 2.99 0.72 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 0.00 0.00 34 I 7.89 3.65 1.84 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 1.27 0.89 0.88 0.00 0.00 35 R 8.04 3.90 0.00 2.01 2.19 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 36 D 8.07 4.45 0.00 3.02 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 37 L 8.21 4.09 0.00 1.85 1.74 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.17 3.77 2.04 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 1.35 0.76 0.95 0.00 0.00 39 R 8.14 3.91 0.00 1.93 2.09 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 40 D 8.27 4.34 0.00 2.98 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 41 F 8.31 4.05 0.00 3.25 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 42 I 7.78 3.61 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.99 0.87 0.00 0.00 43 I 7.61 3.56 1.79 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 1.43 1.00 0.58 0.00 0.00 44 R 7.42 2.51 0.00 1.43 1.55 0.00 3.11 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.61 0.00 45 H 7.13 4.44 0.00 2.74 3.04 0.00 5.62 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.26 4.46 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 47 W 7.74 4.49 0.00 3.39 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 48 E 8.71 4.45 0.00 1.95 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 2.28 2.46 0.00 49 V 8.55 4.31 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 0.82 0.00 0.00 0.94 0.00 0.00 50 G 10.62 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 51 N 8.29 4.86 0.00 2.69 2.74 0.00 0.00 6.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.12 4.29 0.00 2.08 2.11 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 2.35 2.30 0.00 53 E 8.63 4.83 0.00 2.11 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 2.32 2.39 0.00 54 V 9.22 4.86 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 0.98 0.00 0.00 55 A 8.82 5.12 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 56 G 9.13 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 57 T 8.88 5.31 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 1.21 0.00 0.00 58 I 8.82 4.85 1.88 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 1.22 0.66 0.92 0.00 0.00 59 T 8.80 5.16 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 1.23 0.00 0.00 60 I 9.10 5.39 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.12 0.96 0.00 0.00 61 V 8.61 4.98 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 0.92 0.00 0.00 0.89 0.00 0.00 62 Y 8.10 4.98 0.00 3.22 3.10 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 63 N 8.80 5.34 0.00 2.83 2.80 0.00 0.00 6.62 7.89 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 64 H 9.14 4.66 0.00 3.54 3.69 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.65 4.66 0.00 2.75 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 66 E 8.42 4.31 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 67 G 8.10 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 0.00 0.00 0.00 68 D 8.26 5.01 0.00 2.78 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 69 V 7.63 3.52 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 0.59 0.00 0.00 70 V 7.63 3.45 2.11 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 1.06 0.00 0.00 1.12 0.00 0.00 71 K 7.96 3.92 0.00 1.85 1.89 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.49 7.81 72 A 8.32 3.95 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 73 L 8.25 3.88 0.00 1.73 1.67 0.24 0.57 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 74 L 7.74 4.03 0.00 1.87 1.70 0.92 0.92 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 75 D 8.04 4.34 0.00 2.69 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 76 L 8.15 4.16 0.00 1.85 1.95 1.18 0.62 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 77 Q 8.28 4.16 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 78 H 8.49 4.32 0.00 3.20 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.71 4.04 0.00 1.55 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 2.20 2.58 0.00 80 Y 7.56 4.83 0.00 3.10 3.06 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 81 L 7.93 4.06 0.00 1.63 1.74 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.16 4.53 0.00 2.72 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 83 E 8.12 4.54 0.00 2.11 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 2.36 2.47 0.00 84 I 7.68 4.48 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.93 0.00 0.00 85 I 8.64 4.02 1.97 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 1.23 0.47 0.92 0.00 0.00 86 S 7.58 4.76 0.00 3.73 3.72 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 87 S 8.51 5.09 0.00 3.85 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 88 L 9.09 4.74 0.00 1.75 1.55 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.83 5.34 0.00 3.18 3.07 0.00 5.74 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 90 V 8.56 4.32 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 0.97 0.00 0.00 0.90 0.00 0.00 91 H 8.74 4.85 0.00 3.21 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.76 4.20 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 93 D 7.58 4.59 0.00 2.85 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 94 E 8.90 3.67 0.00 1.88 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 1.97 2.27 0.00 95 H 8.25 4.86 0.00 3.02 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.81 5.28 0.00 2.51 2.67 0.00 0.00 6.70 7.54 0.00 0.00 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 C 8.84 5.19 0.00 1.80 2.22 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 98 L 8.42 5.04 0.00 1.60 1.38 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.50 5.16 0.00 2.06 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 2.27 2.42 0.00 100 V 8.98 4.88 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 0.94 0.00 0.00 0.93 0.00 0.00 101 I 8.93 4.83 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.93 0.00 0.00 102 V 8.68 4.56 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 1.08 0.00 0.00 0.94 0.00 0.00 103 V 9.03 5.23 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 0.68 0.00 0.00 0.95 0.00 0.00 104 K 8.90 4.93 0.00 1.77 1.85 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 105 G 8.21 3.99 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 0.00 0.00 0.00 106 E 8.12 4.51 0.00 2.02 2.11 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 2.40 2.37 0.00 107 A 8.76 3.95 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 0.00 108 K 7.48 3.83 0.00 2.07 1.81 0.00 1.51 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 109 K 7.95 3.93 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.25 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.50 7.81 110 I 7.90 3.58 1.97 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 1.62 0.69 0.88 0.00 0.00 111 K 8.07 3.88 0.00 1.97 1.98 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.66 7.81 112 M 7.93 3.98 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 113 I 7.84 3.37 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.39 0.69 0.00 0.00 114 A 8.28 3.99 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 0.00 115 D 8.26 4.32 0.00 2.88 2.74 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 0.00 116 K 7.72 4.01 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 117 L 7.95 4.14 0.00 1.86 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.12 4.18 0.00 1.69 1.77 0.94 1.17 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 0.00 119 S 7.49 4.61 0.00 4.02 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 0.00 120 L 7.35 4.09 0.00 1.87 1.59 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.40 4.16 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 122 G 8.97 4.38 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 0.00 123 V 7.37 3.93 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 0.87 0.00 0.00 0.98 0.00 0.00 124 K 8.88 4.19 0.00 2.01 1.90 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.45 7.81 125 H 7.17 4.76 0.00 3.16 3.12 0.00 5.75 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 0.00 126 G 7.78 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 0.00 0.00 0.00 0.00 127 K 8.28 4.82 0.00 1.66 1.65 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.55 7.81 128 L 8.48 5.03 0.00 1.62 1.53 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.78 4.40 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 1.00 0.00 0.00 0.94 0.00 0.00 130 M 8.73 5.01 0.00 1.90 1.93 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 2.49 2.48 0.00 131 T 8.79 4.65 4.23 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 1.26 0.00 0.00 132 S 8.47 4.94 0.00 3.92 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 0.00 133 T 8.85 3.96 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 0.00 134 G 8.12 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 0.00 135 K 8.41 4.30 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 136 E 8.69 3.75 0.00 1.91 1.88 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 2.29 2.34 0.00 *137 L 8.30 4.15 0.00 1.45 1.47 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.