NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1324 8.0549 114.0562 61.1305 33.0363 174.7680 2 L 4.1859 8.1606 123.4337 51.8989 42.8049 175.8780 3 S 4.5192 9.0027 118.1931 57.6961 66.3029 174.8327 4 E 4.2463 8.8164 122.0916 59.5251 29.2504 178.9464 5 G 3.6702 8.0836 105.3101 47.6247 0.0000 175.4555 6 E 3.9962 7.9266 120.7555 58.9218 29.3938 179.2726 7 W 4.2620 8.2534 119.2251 59.7618 29.0934 178.2844 8 Q 4.0789 8.4366 119.6016 59.2827 28.3529 178.4081 9 L 4.1062 7.9013 119.7584 57.5745 41.6073 179.7388 10 V 3.7338 7.7849 118.1983 66.2143 31.6412 178.2232 11 L 4.3141 8.4731 118.6616 57.4885 40.9791 179.0866 12 H 4.2025 8.4261 119.0513 59.3015 30.0042 177.7231 13 V 3.5042 7.7894 121.0872 64.5349 31.2441 178.0472 14 W 3.9530 8.5216 128.8441 60.1190 30.2709 177.7623 15 A 4.0277 7.9930 120.0833 54.9065 18.0139 179.5376 16 K 3.9355 7.3126 116.9198 59.5777 32.2492 179.6833 17 V 2.8724 7.0177 118.2024 65.6585 30.9714 177.5305 18 E 3.9326 7.5658 116.2467 57.9742 29.3792 178.3705 19 A 4.1907 7.5335 120.4119 53.6930 19.5634 177.6103 20 D 4.6590 7.6677 116.0929 52.1165 42.6837 175.5237 21 V 3.4483 7.8477 123.4544 65.8598 32.1202 176.8122 22 A 4.0413 7.9623 120.1146 55.0657 18.2823 179.7173 23 G 3.5675 8.2965 105.6327 47.6469 0.0000 175.7794 24 H 4.1714 8.2137 118.6357 58.4523 28.6951 178.1627 25 G 3.5472 8.2805 107.8274 47.7710 0.0000 175.5882 26 Q 3.8274 8.0706 122.1076 58.9362 29.0082 177.9719 27 D 4.2850 7.9508 119.9249 57.2711 40.7808 178.8663 28 I 3.6129 7.7231 120.1537 64.4396 37.1058 178.4824 29 L 3.4287 7.5558 119.6442 57.6404 41.3273 179.7521 30 I 3.5833 7.5670 119.6844 64.2564 37.0022 178.4364 31 R 3.8056 8.0724 119.7967 59.1834 29.7801 178.3352 32 L 3.9320 7.8491 120.1601 58.2762 41.7610 179.0350 33 F 4.5938 7.9946 117.8895 60.5604 38.5717 177.8755 34 K 4.1092 8.0772 117.3642 59.4621 32.0563 179.3695 35 S 4.3001 8.0068 114.5288 60.3280 64.0556 174.3683 36 H 4.6517 8.2564 118.7499 51.8666 29.5045 171.7115 37 P 4.5036 0.0000 0.0000 64.6004 30.8833 177.5082 38 E 4.1281 8.2446 116.1239 59.4184 29.5137 179.1610 39 T 3.9603 8.0726 111.0927 64.5587 68.7994 176.3328 40 L 3.6173 7.9236 122.8207 57.6501 41.7926 178.3445 41 E 4.1128 7.7736 117.2144 58.4032 29.6351 178.1407 42 K 4.4417 7.9372 116.6755 56.9786 32.8422 177.3065 43 F 4.5814 8.0651 119.2539 55.5489 39.1282 175.7467 44 D 4.4246 8.4772 125.2970 57.0446 40.9591 179.1529 45 R 3.7332 7.7323 113.5146 57.5010 29.9893 176.7257 46 F 5.0846 7.6838 115.9610 56.9202 40.6249 177.0214 47 K 3.9070 7.6125 120.4272 59.5522 31.8981 177.6933 48 H 4.4230 8.1626 112.1083 56.7603 28.9744 175.1793 49 L 4.1812 7.6063 121.8401 54.4380 42.0044 176.2194 50 K 4.3013 9.4517 123.8037 57.7114 33.6906 177.4151 51 T 4.5886 7.5349 107.9911 59.7128 72.3719 174.8607 52 E 3.9104 8.5515 121.4800 59.3212 29.7774 178.6939 53 A 3.9676 7.9419 120.3627 55.2935 18.2823 179.2716 54 E 3.9548 8.0568 115.9055 59.7331 29.5586 179.2559 55 M 4.1712 8.0866 118.7284 58.4270 31.8433 178.9962 56 K 3.9137 8.0430 117.1828 59.1950 32.2506 178.7849 57 A 4.3118 7.6009 119.2981 52.7666 18.7108 177.4603 58 S 4.1935 7.3966 113.6535 58.0580 62.8620 174.5272 59 E 3.9971 8.8655 128.9928 59.1172 29.5012 177.9628 60 D 4.4259 8.1186 117.9541 57.1063 41.3496 177.7376 61 L 3.3605 8.0003 120.9617 57.8516 42.1606 178.8032 62 K 3.8200 7.7273 119.6949 59.4582 32.2265 178.6322 63 K 4.0018 8.2896 119.9212 59.7381 32.0349 178.3363 64 H 4.4432 8.6032 118.8769 59.0217 29.8233 177.3141 65 G 3.6149 8.2636 107.8315 47.9229 0.0000 175.7760 66 V 3.6226 7.7234 120.2444 65.8585 31.6286 178.1100 67 T 3.8777 7.7072 115.1494 66.7086 68.2671 176.6655 68 V 3.6087 7.8671 119.9402 66.2053 31.5564 178.1648 69 L 4.2125 8.0433 118.6347 57.9773 41.3918 179.6869 70 T 3.9874 8.2996 115.9322 66.4401 68.4397 176.6432 71 A 3.9825 8.0014 122.5375 55.0983 18.3893 179.4328 72 L 3.7714 8.2760 119.3096 58.1236 42.1080 179.3649 73 G 3.2592 8.5150 105.8032 47.6907 0.0000 175.5184 74 A 4.0120 7.7877 122.1295 54.6898 18.6149 179.7221 75 I 3.8059 7.3748 117.9656 64.6446 37.3417 178.4277 76 L 3.9719 7.8224 120.1010 57.7846 41.2020 179.3287 77 K 4.0991 7.7784 115.8375 57.6456 32.2971 178.3480 78 K 4.0273 7.8873 118.7097 55.4055 33.1869 176.0977 79 K 2.0000 8.1114 118.6296 56.3644 29.6975 175.0806 80 G 3.9903 7.8044 105.7271 45.6909 0.0000 173.1476 81 H 4.5615 7.5533 119.1880 55.1190 27.4603 174.7966 82 H 5.3953 7.4595 110.6900 54.4626 29.7399 176.9601 83 E 3.9471 8.5648 119.7942 60.8459 28.7620 178.6341 84 A 4.0564 7.9708 120.4177 54.0864 17.3492 178.7186 85 E 4.1939 8.0867 116.6556 58.9624 29.8933 178.5571 86 L 4.2513 8.4132 120.8734 57.4810 42.1491 178.6988 87 K 3.8803 8.0366 119.8738 59.2438 32.1681 177.0352 88 P 4.2929 0.0000 0.0000 65.2336 31.1905 178.3921 89 L 4.0102 7.4907 116.7781 58.1973 42.0084 178.9661 90 A 4.1282 8.2483 120.8595 55.2865 18.2635 179.6349 91 Q 3.8188 8.1830 116.8627 58.9702 28.6861 179.2431 92 S 3.9824 8.1341 115.2905 61.8831 63.2536 176.3461 93 H 4.1358 8.6443 119.9979 57.9222 28.0741 177.8313 94 A 2.9394 7.8880 123.1792 54.6927 18.0145 179.3295 95 T 3.7892 7.2702 105.8243 62.2616 69.5619 175.6794 96 K 4.1224 7.4463 121.0186 58.3729 33.0644 176.9190 97 H 4.3308 7.9113 113.8072 55.8539 29.5572 175.3338 98 K 3.7491 7.4706 116.8651 56.1885 28.8441 175.6671 99 I 4.2454 8.1406 118.9496 58.7291 38.6071 175.0659 100 P 4.4884 0.0000 0.0000 62.2035 32.1985 177.2094 101 I 3.3628 8.4661 121.2746 64.7830 36.8938 178.3308 102 K 3.6772 7.9167 119.5552 59.7356 31.8575 178.2359 103 Y 4.0917 7.9641 116.9648 60.7972 37.7764 178.2369 104 L 4.1668 7.9475 120.2106 57.4880 41.6445 179.0651 105 E 3.9719 7.8730 119.1079 59.1408 29.6534 178.6209 106 F 4.6673 7.8105 117.8778 60.9031 38.9567 177.5841 107 I 3.8712 8.2076 118.1049 63.9626 37.7316 178.0636 108 S 4.1850 8.1869 116.2973 61.6150 62.5875 176.4505 109 E 4.0565 8.4041 121.0828 59.3780 29.1695 179.2739 110 A 4.0255 8.0969 120.8565 55.1297 18.3671 179.7406 111 I 3.6626 8.1155 118.5705 64.6639 37.3211 178.7231 112 I 3.8036 7.8817 120.6207 64.5586 36.9549 177.9446 113 H 4.0799 8.5090 119.2072 59.3466 29.7494 177.5381 114 V 3.5461 7.9965 120.0698 66.0106 31.3983 177.9794 115 L 3.8257 7.9621 118.8275 57.7847 40.9887 179.0806 116 H 4.3534 7.7739 117.4468 59.3354 29.9229 177.2065 117 S 4.1638 7.7980 115.9822 61.3311 62.7548 176.2354 118 R 4.1578 7.7896 118.5589 57.0461 31.6508 176.5299 119 H 4.9775 8.1750 116.3574 53.3058 30.2098 172.4412 120 P 4.2797 0.0000 0.0000 66.0381 31.4851 179.4397 121 G 3.6137 8.1961 106.4572 47.6920 0.0000 173.6609 122 D 4.8519 8.0330 116.7417 53.9642 41.6168 176.3277 123 F 4.9813 7.8781 120.1050 56.7149 39.3856 174.2718 124 G 3.8855 7.6343 109.3279 43.6782 0.0000 172.2247 125 A 3.8849 8.4969 121.1153 55.3712 18.0483 179.5332 126 D 4.1805 7.9263 116.6410 56.6008 39.4651 178.5860 127 A 3.9102 7.6809 121.8449 54.6236 18.4079 179.1521 128 Q 3.2447 7.8223 118.6218 58.9742 29.0471 178.8391 129 G 3.4767 8.2532 106.8713 47.6667 0.0000 175.5974 130 A 3.8750 7.8862 123.3379 54.9703 18.3323 179.4109 131 M 3.9814 8.2765 116.9856 58.6682 32.2740 177.8940 132 N 4.2960 8.3626 117.3077 56.7415 39.1177 176.8072 133 K 3.8255 8.0514 119.5418 59.5154 32.1454 179.1329 134 A 3.8505 8.0733 121.0238 55.1742 18.2829 179.7480 135 L 4.0730 8.1952 117.6245 57.8782 41.5666 179.6067 136 E 4.0061 8.5288 118.9553 59.2228 29.4137 179.0658 137 L 3.9654 8.1941 120.5610 58.0182 42.1535 178.6498 138 F 4.1657 8.3695 120.5741 61.6039 39.2533 177.3978 139 R 3.5713 8.2114 117.5396 58.8311 29.9232 178.9550 140 K 3.8446 8.2741 119.7561 59.7312 32.1121 178.6836 141 D 4.3667 8.1113 119.0843 57.2830 40.5974 178.8833 142 I 3.5605 7.4918 120.2543 64.2001 36.9411 178.3030 143 A 3.7020 8.1466 121.7947 54.8980 18.2168 179.5788 144 A 3.9360 7.8800 119.1712 55.2482 18.4408 180.0780 145 K 3.9974 7.8920 117.1831 59.6793 32.0854 179.0524 146 Y 4.0739 8.5265 117.4462 61.0717 37.9172 178.6574 147 K 3.9161 8.4208 120.5536 59.6044 32.0622 178.0399 148 E 3.9318 7.8423 117.7645 59.6025 29.6314 178.6246 149 L 4.3025 7.8439 116.6717 55.8376 41.7699 177.9460 150 G 3.9072 7.9800 107.0365 45.7201 0.0000 173.5864 151 Y 4.3981 8.0859 114.8143 56.7026 38.9398 174.5110 152 Q 3.9685 8.1747 122.2366 59.5525 28.6275 177.0811 153 G 3.5312 8.9893 112.8847 45.0465 0.0000 171.8298 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 V 8.05 4.13 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 0.93 0.00 0.00 0.94 0.00 0.00 2 L 8.16 4.19 0.00 0.75 0.80 0.49 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.00 4.52 0.00 4.05 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 4 E 8.82 4.25 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.08 3.67 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 0.00 0.00 0.00 6 E 7.93 4.00 0.00 1.90 1.74 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 2.22 2.26 0.00 7 W 8.25 4.26 0.00 3.57 3.21 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 0.00 8 Q 8.44 4.08 0.00 2.35 2.29 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 2.42 2.48 0.00 9 L 7.90 4.11 0.00 1.90 1.74 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.78 3.73 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 1.19 0.00 0.00 0.89 0.00 0.00 11 L 8.47 4.31 0.00 1.86 1.81 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.43 4.20 0.00 3.43 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.50 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.82 0.00 0.00 14 W 8.52 3.95 0.00 3.65 3.19 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 15 A 7.99 4.03 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 16 K 7.31 3.94 0.00 1.37 1.63 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.44 7.81 17 V 7.02 2.87 0.75 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 -0.05 0.00 0.00 0.27 0.00 0.00 18 E 7.57 3.93 0.00 2.01 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 2.04 0.00 19 A 7.53 4.19 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 20 D 7.67 4.66 0.00 2.72 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 21 V 7.85 3.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.87 0.00 0.00 22 A 7.96 4.04 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 23 G 8.30 3.57 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 0.00 0.00 0.00 24 H 8.21 4.17 0.00 3.25 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.28 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 26 Q 8.07 3.83 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 D 7.95 4.29 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.61 1.93 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 1.50 0.62 0.87 0.00 0.00 29 L 7.56 3.43 0.00 1.34 0.92 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.57 3.58 1.83 0.00 0.00 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 1.36 0.63 0.87 0.00 0.00 31 R 8.07 3.81 0.00 1.85 2.13 0.00 3.05 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 L 7.85 3.93 0.00 1.76 1.45 1.05 0.92 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 33 F 7.99 4.59 0.00 3.12 2.95 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 34 K 8.08 4.11 0.00 1.70 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.60 7.81 35 S 8.01 4.30 0.00 3.80 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.65 0.00 3.05 2.95 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.24 4.13 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 39 T 8.07 3.96 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 0.87 0.00 0.00 40 L 7.92 3.62 0.00 1.36 1.69 -0.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.77 4.11 0.00 2.07 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 2.37 2.44 0.00 42 K 7.94 4.44 0.00 1.95 1.64 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.88 7.81 43 F 8.07 4.58 0.00 3.20 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 44 D 8.48 4.42 0.00 2.66 2.69 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 45 R 7.73 3.73 0.00 1.65 1.82 0.00 2.77 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 46 F 7.68 5.08 0.00 2.91 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 47 K 7.61 3.91 0.00 1.60 1.91 0.00 1.71 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.43 7.81 48 H 8.16 4.42 0.00 3.29 3.44 0.00 5.52 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 49 L 7.61 4.18 0.00 1.63 1.59 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.45 4.30 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.49 7.81 51 T 7.53 4.59 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 1.20 0.00 0.00 52 E 8.55 3.91 0.00 2.04 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 2.35 2.36 0.00 53 A 7.94 3.97 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 54 E 8.06 3.95 0.00 2.12 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 2.35 0.00 55 M 8.09 4.17 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 56 K 8.04 3.91 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.60 4.31 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 58 S 7.40 4.19 0.00 3.88 3.84 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 0.00 0.00 0.00 59 E 8.87 4.00 0.00 2.14 1.95 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 2.39 2.45 0.00 60 D 8.12 4.43 0.00 2.96 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 61 L 8.00 3.36 0.00 1.37 1.61 -0.04 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.82 0.00 1.78 1.97 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 K 8.29 4.00 0.00 1.92 2.05 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 H 8.60 4.44 0.00 3.70 3.57 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.62 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 1.11 0.00 0.00 0.99 0.00 0.00 67 T 7.71 3.88 4.43 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 1.29 0.00 0.00 68 V 7.87 3.61 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 1.17 0.00 0.00 0.98 0.00 0.00 69 L 8.04 4.21 0.00 1.79 1.84 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 3.99 4.47 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 1.26 0.00 0.00 71 A 8.00 3.98 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 72 L 8.28 3.77 0.00 1.69 1.75 0.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.79 4.01 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 75 I 7.37 3.81 1.89 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 1.56 0.96 0.96 0.00 0.00 76 L 7.82 3.97 0.00 1.22 1.54 -0.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.78 4.10 0.00 1.65 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.50 7.81 78 K 7.89 4.03 0.00 1.89 1.80 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.58 7.81 79 K 8.11 2.00 0.00 1.20 0.74 0.00 1.48 0.00 0.00 1.40 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.32 0.71 7.81 80 G 7.80 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 81 H 7.55 4.56 0.00 3.12 3.36 0.00 5.82 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 82 H 7.46 5.40 0.00 3.31 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.56 3.95 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 84 A 7.97 4.06 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 85 E 8.09 4.19 0.00 2.23 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 2.38 2.43 0.00 86 L 8.41 4.25 0.00 1.83 1.70 0.78 0.44 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 87 K 8.04 3.88 0.00 2.02 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.50 7.81 88 P 0.00 4.29 0.00 2.23 2.10 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.49 4.01 0.00 1.88 1.88 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.25 4.13 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 91 Q 8.18 3.82 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 92 S 8.13 3.98 0.00 4.00 4.12 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 93 H 8.64 4.14 0.00 3.46 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.89 2.94 0.01 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 95 T 7.27 3.79 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 96 K 7.45 4.12 0.00 1.53 1.63 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.36 7.81 97 H 7.91 4.33 0.00 3.02 3.18 0.00 5.86 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 98 K 7.47 3.75 0.00 1.84 1.81 0.00 1.78 0.00 0.00 2.38 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.35 7.81 99 I 8.14 4.25 2.04 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 1.39 0.94 1.09 0.00 0.00 100 P 0.00 4.49 0.00 1.93 1.98 0.00 3.00 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 101 I 8.47 3.36 1.71 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.72 0.00 0.00 102 K 7.92 3.68 0.00 1.73 1.67 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 0.66 7.81 103 Y 7.96 4.09 0.00 3.17 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 0.00 104 L 7.95 4.17 0.00 1.77 1.80 0.61 0.82 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 0.00 105 E 7.87 3.97 0.00 1.95 1.95 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 2.45 2.43 0.00 106 F 7.81 4.67 0.00 3.23 2.89 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 0.00 0.00 0.00 107 I 8.21 3.87 2.02 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 1.58 1.65 1.08 0.00 0.00 108 S 8.19 4.19 0.00 4.20 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 0.00 109 E 8.40 4.06 0.00 2.36 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 0.00 2.43 2.61 0.00 110 A 8.10 4.03 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 0.00 111 I 8.12 3.66 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 1.01 0.00 0.00 112 I 7.88 3.80 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.26 1.12 0.00 0.00 113 H 8.51 4.08 0.00 3.38 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.00 3.55 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 0.90 0.00 0.00 0.99 0.00 0.00 115 L 7.96 3.83 0.00 0.61 0.62 0.67 0.71 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 0.00 116 H 7.77 4.35 0.00 3.50 3.54 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.16 0.00 3.96 3.83 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 0.00 118 R 7.79 4.16 0.00 1.62 1.54 0.00 2.71 0.00 0.00 2.82 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 119 H 8.18 4.98 0.00 3.18 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.28 0.00 2.21 2.27 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.20 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.85 0.00 2.80 2.84 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 0.00 0.00 0.00 123 F 7.88 4.98 0.00 3.01 3.02 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 0.00 124 G 7.63 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.50 3.88 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 0.00 126 D 7.93 4.18 0.00 2.82 2.89 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 0.00 0.00 0.00 127 A 7.68 3.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.82 3.24 0.00 1.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 129 G 8.25 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 0.00 130 A 7.89 3.88 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 0.00 131 M 8.28 3.98 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.84 0.00 132 N 8.36 4.30 0.00 2.96 2.92 0.00 0.00 7.24 7.15 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 0.00 133 K 8.05 3.83 0.00 1.88 1.70 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.55 7.81 134 A 8.07 3.85 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 0.00 135 L 8.20 4.07 0.00 1.88 1.80 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 4.01 0.00 2.18 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 2.34 2.55 0.00 137 L 8.19 3.97 0.00 1.80 1.96 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.17 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.21 3.57 0.00 2.04 1.86 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 140 K 8.27 3.84 0.00 1.86 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.11 4.37 0.00 2.71 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 0.00 142 I 7.49 3.56 1.49 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.14 0.42 0.00 0.00 143 A 8.15 3.70 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 0.00 144 A 7.88 3.94 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 0.00 145 K 7.89 4.00 0.00 2.04 1.94 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.55 7.81 146 Y 8.53 4.07 0.00 3.19 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 0.00 147 K 8.42 3.92 0.00 1.85 2.03 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.84 3.93 0.00 2.06 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 0.00 2.35 2.38 0.00 149 L 7.84 4.30 0.00 1.97 1.94 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 150 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 0.00 151 Y 8.09 4.40 0.00 2.64 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 0.00 152 Q 8.17 3.97 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 8.99 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00