NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4513 8.1776 116.7934 58.6055 64.1908 174.6348 2 M 4.2177 8.6548 119.4046 55.6515 30.5810 175.6430 3 Q 4.0820 8.4694 121.7670 58.9574 29.7375 177.8164 4 D 4.8220 7.5955 118.0820 50.9820 40.5740 173.8766 5 P 4.4436 0.0000 0.0000 65.1509 31.5933 177.4877 6 I 3.6747 7.4603 119.0328 64.1205 37.1747 177.9298 7 A 3.9742 8.0818 121.5565 55.5303 18.0985 179.0525 8 D 4.1935 7.6607 115.4643 57.6954 41.2660 177.7810 9 M 3.9405 7.8630 117.9822 58.9851 32.1822 178.3191 10 L 3.9405 7.8533 118.5002 57.8401 41.7111 179.5329 11 T 3.8886 7.7850 109.2557 64.7386 68.9902 176.8203 12 R 3.9216 8.3239 121.7299 59.6665 30.1150 178.2607 13 I 3.6131 8.0619 119.0716 64.3133 37.0231 177.9121 14 R 3.8335 8.3913 118.7680 60.0498 29.9683 178.1893 15 N 4.3367 9.0206 116.4752 56.5775 38.5870 177.1989 16 G 3.7703 8.4842 106.9414 48.1748 0.0000 175.1433 17 Q 3.9604 8.7588 121.1581 58.5083 28.6184 179.3562 18 A 4.0107 8.3110 120.0071 55.3270 18.5693 179.1530 19 A 4.1142 8.0709 116.1345 52.3140 18.5415 176.8601 20 N 4.6354 8.1291 114.2379 53.7848 37.9426 173.8951 21 K 4.2738 8.2205 115.9061 55.4942 32.6467 177.2510 22 A 4.0188 8.3641 127.6352 54.7381 18.7845 176.3837 23 A 4.7699 7.1876 114.5535 52.9136 21.8287 174.9778 24 V 4.3892 7.7918 113.2942 61.8046 34.7962 171.7358 25 T 5.2734 8.3683 115.7714 61.0939 71.1607 171.7953 26 M 4.7399 8.5115 121.3081 53.8465 35.0074 171.9796 27 P 4.9328 0.0000 0.0000 62.4976 32.7175 175.6651 28 S 4.6419 8.5180 116.0315 57.1574 63.7227 174.7124 29 S 4.6257 8.2928 115.5787 59.2645 64.6908 178.1560 30 K 3.5838 8.6279 120.0321 57.7513 32.6538 177.5841 31 L 3.7720 8.8343 126.0367 58.8193 42.9664 176.8829 32 K 3.8245 8.1332 119.4887 59.4266 32.0912 178.9261 33 V 3.2626 8.2848 118.5802 65.6580 30.5351 177.6724 34 A 4.1273 7.8735 118.9530 53.8984 18.0415 178.9332 35 I 3.8168 7.1999 118.5032 63.5779 37.8509 177.6028 36 A 3.8722 7.3528 121.2892 55.3769 17.9622 179.1438 37 N 4.5660 7.7319 114.9344 57.1273 39.2306 177.3720 38 V 3.8522 7.2656 119.4784 65.4803 31.4513 177.3725 39 L 4.4780 8.2477 118.2807 56.2506 41.4351 178.3273 40 K 3.7464 7.7898 118.8967 59.0623 32.5983 177.0795 41 E 3.8918 8.7881 119.2310 59.7743 28.9725 177.5123 42 E 4.1728 7.9594 120.3628 56.1847 31.4803 176.4240 43 G 3.6130 7.5086 106.1234 46.8630 0.0000 173.3669 44 F 4.7283 9.5474 118.4904 57.3660 41.5333 176.4661 45 I 4.6269 7.4949 112.5325 58.7389 39.6078 175.4426 46 E 4.1499 9.0197 126.3347 59.1588 29.7759 176.0237 47 D 4.6829 7.6978 116.9186 54.2206 44.0975 174.1166 48 F 5.0149 8.2508 111.2689 56.3080 40.9037 173.5134 49 K 4.6204 8.8124 123.2467 54.5418 34.7362 174.8102 50 V 4.6899 8.6707 127.8176 60.3386 32.9386 175.0036 51 E 4.6997 8.6829 125.0609 53.9680 32.6759 175.9153 52 G 4.1717 8.3423 112.1925 46.3849 0.0000 171.1899 53 D 4.7238 8.5149 116.2397 55.8016 46.9670 175.7152 54 T 4.1734 7.4527 112.1088 62.6853 68.0793 175.2796 55 K 4.4241 7.3986 126.0140 52.7852 31.7886 172.4474 56 P 4.1115 0.0000 0.0000 63.6637 32.0163 176.3177 57 E 4.6294 8.7379 127.5354 57.8036 32.5333 175.5336 58 L 4.6000 7.9203 114.5664 54.9924 45.7272 174.4686 59 E 4.7002 9.0539 127.8158 55.7358 31.7494 175.0371 60 L 4.7143 8.8393 122.8537 53.7861 46.8510 175.2876 61 T 4.6070 8.3772 119.8360 61.8686 69.4271 174.5435 62 L 4.4889 8.0577 127.5169 54.9000 42.5720 177.1021 63 K 4.7264 8.4663 120.4426 55.3507 34.5949 175.3607 64 Y 5.0124 8.6326 119.8134 56.2950 43.3279 176.0115 65 F 5.4011 9.4107 122.4558 59.6113 41.3135 175.9202 66 Q 3.7017 8.8538 112.8020 56.7204 28.7803 176.7886 67 G 4.1253 8.6908 106.2854 45.0165 0.0000 173.8231 68 K 4.6657 7.7670 119.2785 53.6624 35.7885 175.1986 69 A 4.1429 8.6442 127.4969 52.1751 18.6744 178.9626 70 V 3.6343 7.8470 123.3104 64.1677 31.3127 176.5077 71 V 4.1115 7.0420 118.5984 61.2468 30.7381 175.4074 72 E 4.1600 8.8569 127.2640 59.0858 29.7829 177.5963 73 S 4.7519 7.4796 112.5135 57.2242 68.0462 173.2492 74 I 4.4075 7.9665 119.8414 60.9745 40.2493 173.1519 75 Q 4.7577 8.7753 129.0966 53.9867 32.5090 174.2581 76 R 4.5104 7.9425 117.7913 56.0143 32.6205 173.4141 77 V 3.9133 8.8797 121.2049 63.7749 33.4401 176.3856 78 S 4.5421 6.5106 123.6589 58.7063 61.5942 174.0650 79 R 4.5335 8.7661 123.1244 53.2331 31.6804 176.5011 80 P 4.1983 0.0000 0.0000 65.8200 31.2724 178.7184 81 G 3.7079 7.9516 104.7663 48.0184 0.0000 173.4618 82 L 4.3001 7.7979 121.2124 54.5148 43.1835 173.9597 83 R 4.3130 8.2262 123.6773 55.3980 31.4510 176.5463 84 I 4.4969 8.3249 121.6780 59.9980 40.0303 173.8855 85 Y 4.8943 8.8097 124.8966 56.2090 39.5097 175.7679 86 K 4.7114 8.5188 121.7226 54.4934 36.5741 176.7737 87 R 4.3785 8.6535 123.8213 55.5617 30.6645 177.7921 88 K 4.5686 8.4969 117.5906 58.8910 32.5533 177.5027 89 D 4.6733 7.9848 119.1112 56.2425 41.7844 178.5092 90 E 3.9243 8.3258 116.4050 58.6986 29.6167 177.4677 91 L 3.8016 7.2529 117.7550 54.5161 41.9184 175.2350 92 P 4.5135 0.0000 0.0000 61.6012 32.5365 175.4515 93 K 4.3304 8.1090 119.6517 54.6413 33.9670 176.2887 94 V 3.4561 8.1443 123.8434 64.2471 32.2382 175.6056 95 M 3.0355 9.4595 122.9252 58.4280 29.5986 177.9753 96 A 3.6985 8.9745 116.4919 53.1615 17.0095 178.4359 97 G 3.8280 7.7125 117.1410 44.1663 0.0000 176.8125 98 L 3.1863 8.0830 118.9497 55.0941 42.8759 174.4750 99 G 4.3105 8.5174 109.7790 45.5244 0.0000 171.6191 100 I 4.8126 8.4374 113.7697 58.8133 41.5331 174.0294 101 A 5.2814 8.0503 121.9143 49.6309 22.1892 175.2259 102 V 4.8121 8.4703 114.7383 59.7697 34.4944 175.4839 103 V 4.7339 8.3967 117.3147 59.8084 35.4894 174.9317 104 S 4.6577 8.0447 117.8032 56.9822 61.1089 173.9287 105 T 4.2931 8.6988 116.3044 60.2436 69.7190 176.5947 106 S 4.3270 8.4955 115.6678 59.7434 62.4722 174.7321 107 K 4.1436 6.9686 121.4327 56.9128 32.9533 178.3509 108 G 3.9442 8.6094 106.3725 45.1105 0.0000 171.2973 109 V 4.9819 8.4547 120.4595 61.1429 32.0348 174.8817 110 M 4.8674 8.0187 125.0805 53.9208 35.2156 174.0746 111 T 4.1109 8.6001 114.1840 64.4180 69.4685 175.2066 112 D 4.2409 9.0441 124.4125 57.7401 41.3413 178.7555 113 R 3.8619 8.1249 118.3635 59.6626 29.7716 178.0682 114 A 4.0142 7.8843 119.7006 54.7616 18.4278 179.2953 115 A 3.9596 7.9679 119.3568 55.6172 18.3638 180.2143 116 R 3.9391 7.7366 114.8216 58.9700 30.0700 178.8027 117 Q 4.1233 7.8556 118.8877 58.7219 29.1413 177.5128 118 A 4.6084 7.5085 118.0168 50.2986 20.5750 176.8247 119 G 3.9320 7.7541 106.3299 47.5902 0.0000 173.2994 120 L 4.7984 7.4054 117.2472 52.6784 45.3017 176.0476 121 G 4.4718 8.5733 107.7188 44.6143 0.0000 172.8001 122 G 4.3962 8.3450 110.7884 44.0491 0.0000 171.2185 123 E 4.2602 8.6548 120.7306 55.6467 29.3153 176.2033 124 I 3.7480 8.0883 128.3585 62.6863 38.4430 176.0368 125 I 4.4127 8.4198 122.0416 62.2508 41.3698 175.0934 126 C 5.4358 7.7482 115.1324 57.8487 33.0926 172.0369 127 Y 4.8721 8.8203 122.1029 57.0179 38.2468 173.9119 128 V 4.4078 8.4213 125.1745 61.3612 33.3128 175.7043 129 A 4.4590 8.4784 128.9096 52.1129 18.7469 175.5946 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 S 8.18 4.45 0.00 3.89 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 2 M 8.65 4.22 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 3 Q 8.47 4.08 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 4 D 7.60 4.82 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.44 0.00 2.17 2.07 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 6 I 7.46 3.67 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.87 0.00 0.00 7 A 8.08 3.97 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 8 D 7.66 4.19 0.00 2.82 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 9 M 7.86 3.94 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 10 L 7.85 3.94 0.00 1.80 1.65 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.79 3.89 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 1.27 0.00 0.00 12 R 8.32 3.92 0.00 2.05 2.04 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 13 I 8.06 3.61 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.87 0.00 0.00 14 R 8.39 3.83 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 15 N 9.02 4.34 0.00 2.94 2.88 0.00 0.00 7.01 6.82 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 16 G 8.48 3.77 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 0.00 0.00 0.00 17 Q 8.76 3.96 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 18 A 8.31 4.01 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 19 A 8.07 4.11 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 20 N 8.13 4.64 0.00 2.92 2.93 0.00 0.00 7.16 7.30 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 21 K 8.22 4.27 0.00 1.84 1.79 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 22 A 8.36 4.02 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 A 7.19 4.77 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 24 V 7.79 4.39 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 0.60 0.00 0.00 0.95 0.00 0.00 25 T 8.37 5.27 4.27 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 1.23 0.00 0.00 26 M 8.51 4.74 0.00 2.10 2.11 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 2.45 2.57 0.00 27 P 0.00 4.93 0.00 2.09 2.09 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 28 S 8.52 4.64 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.29 4.63 0.00 3.97 3.93 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 30 K 8.63 3.58 0.00 1.86 1.60 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.35 7.81 31 L 8.83 3.77 0.00 1.73 1.64 0.90 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.13 3.82 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 33 V 8.28 3.26 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 0.72 0.00 0.00 0.91 0.00 0.00 34 A 7.87 4.13 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 35 I 7.20 3.82 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 1.41 0.92 0.87 0.00 0.00 36 A 7.35 3.87 0.93 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 0.00 0.00 37 N 7.73 4.57 0.00 2.93 2.88 0.00 0.00 6.85 7.52 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 38 V 7.27 3.85 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 39 L 8.25 4.48 0.00 1.88 1.80 0.89 0.89 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 40 K 7.79 3.75 0.00 1.95 2.21 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 41 E 8.79 3.89 0.00 2.22 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 2.60 2.51 0.00 42 E 7.96 4.17 0.00 2.05 1.96 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 2.25 2.47 0.00 43 G 7.51 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 44 F 9.55 4.73 0.00 3.09 3.01 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 45 I 7.49 4.63 1.96 0.00 0.00 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 1.44 0.80 0.98 0.00 0.00 46 E 9.02 4.15 0.00 2.16 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 2.36 2.34 0.00 47 D 7.70 4.68 0.00 2.58 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 48 F 8.25 5.01 0.00 3.18 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 49 K 8.81 4.62 0.00 1.92 1.92 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81 50 V 8.67 4.69 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 0.98 0.00 0.00 1.05 0.00 0.00 51 E 8.68 4.70 0.00 1.92 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 2.30 2.30 0.00 52 G 8.34 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 0.00 0.00 0.00 0.00 53 D 8.51 4.72 0.00 2.60 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 54 T 7.45 4.17 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 1.22 0.00 0.00 55 K 7.40 4.42 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.45 7.81 56 P 0.00 4.11 0.00 2.11 2.25 0.00 3.78 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 2.01 0.00 57 E 8.74 4.63 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 58 L 7.92 4.60 0.00 1.74 1.63 0.85 1.01 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 59 E 9.05 4.70 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 60 L 8.84 4.71 0.00 1.68 1.55 0.97 0.65 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 61 T 8.38 4.61 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 62 L 8.06 4.49 0.00 1.95 1.61 0.92 0.96 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 63 K 8.47 4.73 0.00 1.81 1.72 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.52 7.81 64 Y 8.63 5.01 0.00 3.06 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 65 F 9.41 5.40 0.00 3.00 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 66 Q 8.85 3.70 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 1.51 2.13 0.00 67 G 8.69 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.77 4.67 0.00 1.82 1.65 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 69 A 8.64 4.14 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.85 3.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 71 V 7.04 4.11 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 0.65 0.00 0.00 0.93 0.00 0.00 72 E 8.86 4.16 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 73 S 7.48 4.75 0.00 3.70 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 74 I 7.97 4.41 1.70 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 1.26 0.36 0.83 0.00 0.00 75 Q 8.78 4.76 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 76 R 7.94 4.51 0.00 1.74 1.66 0.00 3.30 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 77 V 8.88 3.91 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 0.70 0.00 0.00 0.68 0.00 0.00 78 S 6.51 4.54 0.00 3.98 3.77 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 79 R 8.77 4.53 0.00 1.98 1.98 0.00 2.80 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 80 P 0.00 4.20 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 81 G 7.95 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 82 L 7.80 4.30 0.00 1.63 1.49 0.91 0.82 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 83 R 8.23 4.31 0.00 2.07 1.72 0.00 3.58 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 84 I 8.32 4.50 1.80 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 1.16 1.45 0.93 0.00 0.00 85 Y 8.81 4.89 0.00 2.83 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 86 K 8.52 4.71 0.00 1.69 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 R 8.65 4.38 0.00 1.89 1.88 0.00 3.15 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 88 K 8.50 4.57 0.00 1.82 1.95 0.00 1.33 0.00 0.00 2.37 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 7.98 4.67 0.00 2.75 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 90 E 8.33 3.92 0.00 1.97 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 2.34 2.37 0.00 91 L 7.25 3.80 0.00 1.61 1.85 1.03 1.02 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 92 P 0.00 4.51 0.00 2.00 2.05 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 93 K 8.11 4.33 0.00 1.79 1.78 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.29 7.81 94 V 8.14 3.46 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 0.98 0.00 0.00 0.66 0.00 0.00 95 M 9.46 3.04 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 96 A 8.97 3.70 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 97 G 7.71 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 0.00 0.00 0.00 98 L 8.08 3.19 0.00 1.88 1.78 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.44 4.81 1.92 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 1.46 0.96 1.03 0.00 0.00 101 A 8.05 5.28 0.99 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 0.00 102 V 8.47 4.81 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 0.83 0.00 0.00 0.92 0.00 0.00 103 V 8.40 4.73 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 0.87 0.00 0.00 0.98 0.00 0.00 104 S 8.04 4.66 0.00 3.88 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 0.00 105 T 8.70 4.29 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 1.22 0.00 0.00 106 S 8.50 4.33 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 6.97 4.14 0.00 1.79 1.75 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.38 7.81 108 G 8.61 3.94 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 0.00 0.00 0.00 109 V 8.45 4.98 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 1.18 0.00 0.00 0.93 0.00 0.00 110 M 8.02 4.87 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 111 T 8.60 4.11 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 1.26 0.00 0.00 112 D 9.04 4.24 0.00 2.85 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 0.00 113 R 8.12 3.86 0.00 1.87 1.92 0.00 3.39 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 114 A 7.88 4.01 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 0.00 115 A 7.97 3.96 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 0.00 116 R 7.74 3.94 0.00 1.93 2.01 0.00 3.17 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 117 Q 7.86 4.12 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 118 A 7.51 4.61 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 0.00 119 G 7.75 3.93 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 0.00 0.00 0.00 120 L 7.41 4.80 0.00 1.69 1.55 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.57 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 0.00 0.00 0.00 0.00 122 G 8.35 4.40 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 0.00 123 E 8.65 4.26 0.00 1.78 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.54 0.00 124 I 8.09 3.75 1.89 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 1.36 0.99 1.09 0.00 0.00 125 I 8.42 4.41 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.87 0.00 0.00 126 C 7.75 5.44 0.00 2.92 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 0.00 127 Y 8.82 4.87 0.00 2.83 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 0.00 128 V 8.42 4.41 1.55 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 -0.12 0.00 0.00 0.74 0.00 0.00 129 A 8.48 4.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00