NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4011 8.3044 120.3258 55.9785 32.4892 174.6005 2 H 4.3466 8.1532 125.9319 53.3395 28.5101 171.5924 3 L 4.4665 7.3310 122.3099 53.3664 43.7971 175.7990 4 T 4.1414 9.4813 117.9142 60.3498 70.0911 173.8252 5 P 4.1680 0.0000 0.0000 66.1534 31.2056 178.6817 6 E 4.0985 7.9829 116.8635 58.7245 29.5421 178.9393 7 E 3.8924 8.4201 120.1508 59.1045 29.6720 179.1092 8 K 3.8516 7.9020 119.4890 59.2788 32.2087 178.9001 9 S 4.1056 8.0804 114.5826 61.3157 62.6031 176.3504 10 A 4.0742 7.7769 124.3384 54.6792 18.1203 179.8170 11 V 3.3848 7.8812 116.7764 66.4571 31.4723 178.4270 12 T 3.9653 7.7449 114.7382 66.6051 68.0778 176.4906 13 A 4.0572 8.0370 121.6642 55.1801 18.7020 179.1837 14 L 3.9541 7.7789 117.5927 57.9291 41.8757 178.8620 15 W 4.4335 8.7191 128.2678 60.1051 30.3141 178.0767 16 G 3.6957 7.7355 105.2681 47.4289 0.0000 174.5284 17 K 4.3232 7.9184 118.1355 56.8786 32.7714 177.3213 18 V 3.6287 7.1158 119.3896 62.4654 32.0111 176.1331 19 N 4.6031 8.1930 125.4830 51.8222 38.4260 175.3499 20 V 3.5809 8.0143 127.8983 64.8638 31.4603 177.2128 21 D 4.3286 8.3160 118.5802 58.1230 40.7410 177.9096 22 E 3.9000 8.4229 118.6655 59.8799 29.6521 179.2041 23 V 3.5794 8.1896 117.9846 65.7992 31.6203 178.7316 24 G 3.7063 8.0331 105.3722 47.8989 0.0000 176.0520 25 G 3.6323 7.6820 107.5168 47.1762 0.0000 175.7598 26 E 3.9321 8.1120 120.2642 59.1014 29.5093 179.2664 27 A 3.9258 8.0507 120.8419 55.0395 18.4671 179.4950 28 L 3.9724 7.9757 119.0918 58.0894 42.1987 179.3921 29 G 3.5314 8.2161 105.7610 48.0000 0.0000 175.7457 30 R 3.8755 8.2160 121.4611 58.6484 30.0202 178.8090 31 L 3.9890 7.8338 119.9248 58.4292 42.0274 179.2594 32 L 4.0602 7.6666 119.4892 56.6894 41.1937 179.7362 33 V 3.5547 7.2351 117.6263 65.7670 31.7764 177.9957 34 V 3.4951 7.9154 116.7813 64.4200 32.7278 175.5796 35 Y 3.7187 7.1952 117.2178 53.9489 37.8319 174.0039 36 P 4.6341 0.0000 0.0000 64.6831 31.4342 178.4169 37 W 4.3698 8.0801 116.1096 59.2699 28.0244 177.7000 38 T 4.2769 7.6413 110.1713 63.7514 68.2897 176.0211 39 Q 4.4050 8.1748 121.5458 57.9676 28.4687 178.0108 40 R 3.7558 7.4299 116.8885 59.2512 29.1946 178.2987 41 F 4.2195 7.1985 115.7609 58.2035 39.5235 175.7262 42 F 4.5940 7.8887 118.5493 56.7212 39.4488 176.4351 43 E 4.2287 8.3259 118.2916 57.8896 29.7853 177.2615 44 S 4.5880 7.8472 113.1849 59.0714 63.7955 174.6970 45 F 4.7003 8.3038 119.5316 58.4280 39.7951 176.4955 46 G 3.9735 8.1258 106.2537 44.2707 0.0000 173.3589 47 D 4.4956 8.5581 123.8367 54.3926 41.4617 176.1002 48 L 4.8832 8.3802 125.1113 54.3322 43.1700 177.7645 49 S 4.2632 8.4577 116.7648 60.8590 63.0926 174.5465 50 T 4.7376 7.4224 109.8123 58.1341 73.1553 172.7452 51 P 4.1974 0.0000 0.0000 66.0169 31.3378 178.7087 52 D 4.3502 8.0690 116.7575 57.3327 40.5735 178.4949 53 A 4.0189 7.8247 120.2779 54.9818 18.4144 179.7312 54 V 3.6971 8.0334 117.0408 66.5502 31.5774 178.2973 55 M 4.1394 8.4086 117.5854 57.6768 31.8861 178.0719 56 G 4.0581 7.7820 102.9576 43.3474 0.0000 173.1660 57 N 4.3709 7.5377 121.5773 52.7675 39.3473 173.5791 58 P 4.2032 0.0000 0.0000 66.0451 31.0064 178.6252 59 K 3.6180 8.2361 118.1620 59.1007 31.8777 179.5120 60 V 3.6068 7.7108 118.0269 65.8499 31.1258 178.0477 61 K 3.9356 8.1683 118.1496 59.4501 31.3739 179.2505 62 A 3.9963 8.0514 121.0711 55.1619 18.2896 179.2506 63 H 4.2650 8.4529 117.1866 59.3492 30.0396 177.5338 64 G 3.7549 8.5164 108.0598 47.9680 0.0000 175.4707 65 K 4.0280 7.8161 121.3904 58.8684 32.1876 178.8543 66 K 3.9412 7.7612 119.2223 59.5272 32.2043 178.9070 67 V 3.6884 7.7591 118.4386 66.2275 31.5081 178.0314 68 L 4.4259 8.2955 118.6938 57.4058 41.4453 179.7751 69 G 3.6907 8.4006 105.9053 47.8049 0.0000 175.6907 70 A 4.1450 8.2513 123.6522 54.8032 18.4908 179.5418 71 F 4.2518 8.5438 119.2233 61.5603 39.2857 177.3488 72 S 4.2069 8.6538 114.1694 62.0277 63.0153 176.2562 73 D 4.5793 8.1320 121.0279 57.3099 40.6596 179.1206 74 G 3.4585 7.6820 106.3216 47.5080 0.0000 175.4580 75 L 3.8716 7.1937 118.8535 56.2334 41.7042 178.1767 76 A 4.3255 7.4001 119.2134 52.4484 19.9648 176.4965 77 H 4.8893 7.7161 114.7360 54.5765 29.7524 175.3912 78 L 4.1850 7.9910 119.8872 57.5233 42.0009 178.8370 79 D 4.4010 7.9609 117.4068 56.5102 42.1066 175.7845 80 N 4.9940 8.4370 116.6217 51.2570 39.0392 174.4909 81 L 4.0121 7.7774 122.9189 57.6444 42.2404 179.2418 82 K 3.9390 8.0484 118.1231 59.4533 31.8108 179.5148 83 G 3.5250 7.7363 104.4363 47.9731 0.0000 175.4124 84 T 3.7910 7.5754 117.2540 66.1296 68.7326 175.7964 85 F 4.6813 8.5540 117.3023 57.2546 39.2449 177.4050 86 A 4.1492 7.7227 122.8726 55.8077 18.2189 180.1481 87 T 3.9293 7.8859 107.4256 64.6776 68.8889 176.3905 88 L 4.0965 7.9675 122.9730 57.7765 42.2626 178.5533 89 S 4.3737 8.4666 114.9893 61.0248 62.4053 176.0601 90 E 3.9131 8.1952 121.2371 59.1113 29.0638 179.1150 91 L 3.9125 7.9392 120.3381 58.6787 42.1651 178.8339 92 H 4.1471 8.5206 116.2064 59.4844 28.4709 176.6779 93 C 3.6435 7.9111 120.9966 61.9571 30.9723 175.2526 94 D 4.2755 8.2684 122.1336 56.6784 40.7869 177.6626 95 K 4.2355 7.6939 116.5347 57.6712 33.4172 177.5090 96 L 4.1080 7.9765 117.2991 55.0869 42.4193 176.2807 97 H 4.1239 7.3331 114.8527 56.6437 26.4931 175.5286 98 V 3.8181 7.9628 118.3420 60.8446 32.5270 174.8503 99 D 4.3420 8.8551 127.0344 54.3518 41.6707 176.8473 100 A 3.1508 8.3037 129.1182 54.8676 18.8178 178.8552 101 E 3.8658 8.1129 116.0418 59.4844 29.4161 178.5680 102 N 4.1976 7.7300 116.3813 56.5284 38.5418 177.2228 103 F 4.4270 7.3294 119.1380 60.4225 38.9746 177.8607 104 R 4.0613 7.9741 115.8568 58.8864 29.4051 178.8577 105 L 3.7830 7.7649 119.2587 57.5309 41.6888 178.9912 106 L 4.0643 8.1564 120.3699 58.0474 42.0315 178.9710 107 G 3.8028 8.0841 105.6736 48.2256 0.0000 175.3571 108 N 4.4472 8.1760 118.9664 55.8882 38.4887 177.7651 109 V 3.6392 7.8877 119.7777 65.8790 31.5769 177.7887 110 L 3.8644 8.4395 120.5216 58.0843 41.8810 179.1077 111 V 3.5647 7.8137 118.1273 66.3047 31.4395 177.8090 112 C 4.1109 8.0785 116.4211 62.6858 27.9275 176.3288 113 V 3.5162 7.8264 119.9645 66.0078 31.0676 178.1448 114 L 3.8733 7.9999 118.8962 57.4654 41.3281 179.3933 115 A 3.6717 7.3550 120.7008 55.2233 18.1100 179.0059 116 H 4.0755 8.0199 115.6443 59.8771 29.9695 176.9146 117 H 4.0305 7.9818 116.5030 58.4959 28.9652 177.1654 118 F 4.4527 8.5294 117.8792 56.9313 39.5696 177.2790 119 G 3.7627 8.5892 108.8557 46.0513 0.0000 177.0899 120 K 4.0048 8.9093 123.6208 58.9702 32.0860 177.3899 121 E 4.1199 8.2519 118.7465 58.3530 29.9810 177.0347 122 F 4.5568 7.9935 123.1190 56.9363 37.8068 175.2789 123 T 4.1840 7.3955 115.8779 60.1378 71.2827 173.4528 124 P 4.1905 0.0000 0.0000 65.6693 31.2244 177.2926 125 P 4.2598 0.0000 0.0000 65.3370 31.2257 178.9149 126 V 3.5402 7.2296 116.1708 65.5947 31.3350 177.8578 127 Q 3.4409 7.8659 119.4254 58.9858 28.9336 177.9784 128 A 4.0056 7.9894 121.4958 55.2674 18.4454 179.5225 129 A 3.8858 7.7443 119.1683 55.6196 18.3999 179.5772 130 Y 3.8542 8.0905 115.2294 61.0147 37.7824 178.6646 131 Q 4.1115 8.6835 119.6999 59.0114 28.8689 178.9914 132 K 4.0035 7.9377 119.0347 59.2775 31.9988 179.7032 133 V 3.4883 7.5416 118.0060 66.2256 31.4831 178.6838 134 V 3.8995 8.2750 112.0976 64.1366 31.2269 178.5498 135 A 4.1182 8.0162 120.8789 54.8711 18.2381 179.7658 136 G 3.5513 8.0328 104.2858 48.0982 0.0000 176.1159 137 V 3.4113 8.1589 121.4393 65.2561 31.5723 177.8349 138 A 3.8859 8.2983 120.9590 55.3563 18.0192 179.3844 139 N 4.2825 8.1926 113.7081 56.4065 38.7618 177.2584 140 A 4.1485 8.0251 122.2046 55.1282 18.0461 179.7001 141 L 3.7560 8.0495 117.4403 56.9826 41.5940 178.6296 142 A 4.4066 7.7870 119.5463 52.8013 18.7609 178.6217 143 H 4.1709 7.7632 113.3962 58.4015 28.4876 176.5620 144 K 4.3429 7.9472 116.5475 56.1099 32.0601 176.4527 145 Y 4.1398 7.9220 117.8007 58.3385 38.4058 175.6614 146 H 4.4498 8.3522 118.0421 56.1582 28.2597 173.2687 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 4.40 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 2 H 8.15 4.35 0.00 3.15 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.33 4.47 0.00 1.54 1.48 0.83 0.92 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 4 T 9.48 4.14 4.17 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 1.07 0.00 0.00 5 P 0.00 4.17 0.00 2.14 2.15 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 6 E 7.98 4.10 0.00 2.13 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 2.32 2.17 0.00 7 E 8.42 3.89 0.00 2.19 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 2.26 0.00 8 K 7.90 3.85 0.00 1.74 1.94 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 9 S 8.08 4.11 0.00 4.10 4.18 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 10 A 7.78 4.07 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 11 V 7.88 3.38 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 0.62 0.00 0.00 0.41 0.00 0.00 12 T 7.74 3.97 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 1.24 0.00 0.00 13 A 8.04 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.78 3.95 0.00 1.84 2.04 0.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.72 4.43 0.00 3.85 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 16 G 7.74 3.70 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 0.00 0.00 0.00 17 K 7.92 4.32 0.00 2.17 2.14 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.44 7.81 18 V 7.12 3.63 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 0.10 0.00 0.00 0.64 0.00 0.00 19 N 8.19 4.60 0.00 2.71 2.61 0.00 0.00 6.92 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 20 V 8.01 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.00 0.00 0.00 21 D 8.32 4.33 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 22 E 8.42 3.90 0.00 2.13 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 2.31 0.00 23 V 8.19 3.58 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.60 0.00 0.00 24 G 8.03 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.68 3.63 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 0.00 0.00 0.00 26 E 8.11 3.93 0.00 2.12 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 2.32 2.48 0.00 27 A 8.05 3.93 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 28 L 7.98 3.97 0.00 1.79 1.64 0.88 1.16 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 29 G 8.22 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 30 R 8.22 3.88 0.00 1.92 1.95 0.00 3.09 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 31 L 7.83 3.99 0.00 1.91 1.89 1.01 0.76 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 32 L 7.67 4.06 0.00 1.77 1.69 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.24 3.55 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 0.71 0.00 0.00 0.88 0.00 0.00 34 V 7.92 3.50 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 0.06 0.00 0.00 0.79 0.00 0.00 35 Y 7.20 3.72 0.00 2.48 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.63 0.00 2.34 2.32 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 37 W 8.08 4.37 0.00 3.55 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 38 T 7.64 4.28 4.42 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 1.02 0.00 0.00 39 Q 8.17 4.40 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 R 7.43 3.76 0.00 1.52 1.91 0.00 3.06 0.00 0.00 2.65 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 41 F 7.20 4.22 0.00 2.02 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 0.00 0.00 0.00 0.00 42 F 7.89 4.59 0.00 2.80 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 0.00 0.00 0.00 43 E 8.33 4.23 0.00 2.08 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 2.25 2.30 0.00 44 S 7.85 4.59 0.00 4.11 4.09 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 0.00 0.00 0.00 45 F 8.30 4.70 0.00 3.14 3.12 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 46 G 8.13 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.56 4.50 0.00 2.67 2.62 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 0.00 0.00 0.00 48 L 8.38 4.88 0.00 1.65 1.62 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.46 4.26 0.00 4.00 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 50 T 7.42 4.74 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 52 D 8.07 4.35 0.00 2.67 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 53 A 7.82 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.03 3.70 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 1.00 0.00 0.00 1.01 0.00 0.00 55 M 8.41 4.14 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 56 G 7.78 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 57 N 7.54 4.37 0.00 2.99 2.87 0.00 0.00 6.86 7.57 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 58 P 0.00 4.20 0.00 2.24 2.27 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 59 K 8.24 3.62 0.00 1.78 0.82 0.00 1.77 0.00 0.00 1.36 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.30 7.81 60 V 7.71 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.08 0.00 0.00 61 K 8.17 3.94 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.70 7.81 62 A 8.05 4.00 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 63 H 8.45 4.26 0.00 3.38 3.47 0.00 5.80 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 64 G 8.52 3.75 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 0.00 0.00 0.00 65 K 7.82 4.03 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 66 K 7.76 3.94 0.00 1.91 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 67 V 7.76 3.69 2.28 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 1.05 0.00 0.00 0.99 0.00 0.00 68 L 8.30 4.43 0.00 1.99 1.88 1.15 0.68 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 69 G 8.40 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.25 4.15 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.54 4.25 0.00 3.36 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.65 4.21 0.00 4.40 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 73 D 8.13 4.58 0.00 2.91 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 74 G 7.68 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 0.00 0.00 0.00 75 L 7.19 3.87 0.00 1.44 1.40 -0.16 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.40 4.33 1.10 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 77 H 7.72 4.89 0.00 3.11 3.13 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.99 4.19 0.00 1.50 1.66 0.78 1.00 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 79 D 7.96 4.40 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 80 N 8.44 4.99 0.00 2.67 2.56 0.00 0.00 7.17 6.63 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 81 L 7.78 4.01 0.00 1.75 1.84 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.05 3.94 0.00 1.66 1.54 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.38 7.81 83 G 7.74 3.52 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 0.00 0.00 0.00 84 T 7.58 3.79 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 0.50 0.00 0.00 85 F 8.55 4.68 0.00 3.25 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.72 4.15 1.46 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 0.00 0.00 87 T 7.89 3.93 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 1.21 0.00 0.00 88 L 7.97 4.10 0.00 1.95 1.95 1.04 1.12 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 89 S 8.47 4.37 0.00 4.14 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 90 E 8.20 3.91 0.00 2.25 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 2.30 2.30 0.00 91 L 7.94 3.91 0.00 1.91 1.88 0.92 1.09 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 92 H 8.52 4.15 0.00 3.58 3.67 0.00 5.86 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 93 C 7.91 3.64 0.00 1.29 2.48 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 94 D 8.27 4.28 0.00 2.77 2.68 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 0.00 0.00 0.00 95 K 7.69 4.24 0.00 1.79 1.79 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.46 7.81 96 L 7.98 4.11 0.00 1.71 1.62 0.71 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.33 4.12 0.00 3.33 3.38 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.96 3.82 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 0.02 0.00 0.00 0.47 0.00 0.00 99 D 8.86 4.34 0.00 2.83 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 0.00 100 A 8.30 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.11 3.87 0.00 2.06 1.90 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 2.31 2.38 0.00 102 N 7.73 4.20 0.00 2.51 2.65 0.00 0.00 6.93 7.99 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 0.00 103 F 7.33 4.43 0.00 3.03 2.92 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 R 7.97 4.06 0.00 2.07 2.20 0.00 2.87 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 105 L 7.76 3.78 0.00 1.77 1.50 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.16 4.06 0.00 1.81 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.08 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 0.00 108 N 8.18 4.45 0.00 2.82 2.95 0.00 0.00 6.71 7.69 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 0.00 109 V 7.89 3.64 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 1.14 0.00 0.00 1.17 0.00 0.00 110 L 8.44 3.86 0.00 1.65 1.81 0.86 0.44 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 0.00 111 V 7.81 3.56 2.27 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 1.33 0.00 0.00 1.24 0.00 0.00 112 C 8.08 4.11 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.83 3.52 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 0.87 0.00 0.00 0.94 0.00 0.00 114 L 8.00 3.87 0.00 0.64 1.10 0.57 0.65 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 0.00 115 A 7.35 3.67 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 0.00 116 H 8.02 4.08 0.00 3.20 3.51 0.00 5.77 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 H 7.98 4.03 0.00 2.82 2.67 0.00 5.72 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 0.00 118 F 8.53 4.45 0.00 3.33 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 0.00 119 G 8.59 3.76 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 0.00 0.00 0.00 120 K 8.91 4.00 0.00 1.77 1.91 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.42 7.81 121 E 8.25 4.12 0.00 2.37 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 0.00 2.38 2.33 0.00 122 F 7.99 4.56 0.00 3.08 3.05 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 0.00 123 T 7.40 4.18 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 1.33 0.00 0.00 124 P 0.00 4.19 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 125 P 0.00 4.26 0.00 2.11 2.07 0.00 3.48 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 2.09 2.12 0.00 126 V 7.23 3.54 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 0.75 0.00 0.00 0.88 0.00 0.00 127 Q 7.87 3.44 0.00 1.84 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 128 A 7.99 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 0.00 129 A 7.74 3.89 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 0.00 130 Y 8.09 3.85 0.00 3.42 3.31 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 0.00 131 Q 8.68 4.11 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 132 K 7.94 4.00 0.00 1.94 1.83 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 133 V 7.54 3.49 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 0.92 0.00 0.00 0.71 0.00 0.00 134 V 8.28 3.90 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 135 A 8.02 4.12 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 0.00 136 G 8.03 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.16 3.41 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.73 0.00 0.00 138 A 8.30 3.89 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 0.00 139 N 8.19 4.28 0.00 2.82 2.89 0.00 0.00 7.06 8.21 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 0.00 140 A 8.03 4.15 1.47 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 0.00 0.00 141 L 8.05 3.76 0.00 0.61 0.27 0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.79 4.41 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 0.00 143 H 7.76 4.17 0.00 3.25 3.68 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.95 4.34 0.00 1.78 1.83 0.00 1.59 0.00 0.00 1.31 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.94 1.62 7.81 145 Y 7.92 4.14 0.00 3.11 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 0.00 146 H 8.35 4.45 0.00 3.22 3.23 0.00 5.75 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