NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 A 4.3102 8.2649 123.5813 52.0954 19.9488 176.1865 -3 M 4.0356 8.3529 115.7346 54.7877 32.5900 174.2002 -2 A 4.4913 9.1560 125.4795 50.9886 20.8780 176.5346 -1 I 4.4678 8.0116 123.9358 59.0048 39.8409 175.7662 0 S 4.1751 8.6139 119.0024 58.6724 62.8864 174.7250 1 N 4.2288 8.8125 124.3859 56.4145 38.1689 177.5578 2 W 4.4509 7.8119 120.3189 59.6580 29.0214 178.6792 3 V 3.7020 7.9173 118.1688 65.9233 30.8767 177.7245 4 N 4.5462 7.9146 117.1019 54.9098 38.5526 177.2875 5 V 3.5181 8.0820 120.3385 66.2866 31.6255 178.1722 6 I 3.6913 7.8141 119.5667 64.3461 36.7299 178.6060 7 S 4.1793 7.9991 114.6797 61.1305 62.8427 176.3416 8 D 4.3109 8.2305 122.7742 57.2099 40.5590 178.3790 9 L 3.8444 8.0725 119.8202 57.9844 41.6186 179.8830 10 K 3.9352 8.0539 118.0784 59.2955 31.9610 179.3976 11 K 3.9507 8.1625 119.9301 59.4281 32.1479 178.9193 12 I 3.7059 8.1024 120.6032 64.4592 36.8116 178.0286 13 E 3.9749 8.1264 119.0434 59.2713 29.7891 178.0643 14 D 4.4584 8.1445 118.2425 57.1741 41.0624 178.2650 15 L 4.1512 7.8756 119.0971 57.4592 41.9067 178.6818 16 I 4.0613 7.8548 110.7881 61.6078 37.4986 177.6397 17 Q 3.9553 7.4579 119.3336 59.5763 28.6347 178.3181 18 S 4.2054 7.8813 109.5963 59.9508 63.3945 173.9274 19 M 4.3320 7.2477 121.1819 54.9732 33.4110 176.0438 20 H 4.9528 8.0788 114.3124 54.3618 29.0237 173.0355 21 I 4.1695 7.6067 120.5047 60.6039 38.1994 175.9348 22 D 4.8657 8.5314 123.4275 52.6249 39.8860 175.7590 23 A 4.0109 8.0596 121.9297 53.4623 18.7793 177.4705 24 T 4.7847 8.0761 110.5570 59.9085 71.2412 173.7205 25 L 4.6063 8.5485 123.3605 52.5994 46.0645 175.5040 26 Y 4.7364 9.0566 121.3165 58.8528 38.3582 175.8978 27 T 4.2706 8.8334 121.3681 61.5694 71.5825 173.7438 28 E 4.2374 8.2187 128.4670 55.5407 29.2208 175.7007 29 S 4.7317 8.6310 122.1698 58.7576 64.7557 174.5769 30 D 4.8452 8.6185 120.2655 51.8714 40.1385 175.7858 31 V 3.5026 7.7311 117.5085 63.0572 31.9404 174.9559 32 H 4.1225 8.9307 128.2158 55.6007 30.0896 173.8579 33 P 3.9608 0.0000 0.0000 66.1459 30.8441 177.1155 34 S 4.5141 8.2518 111.4225 59.1577 63.4450 174.9775 35 C 5.2546 9.1055 119.2184 56.0896 42.1386 176.1408 36 K 3.9316 8.1019 122.8835 59.8394 32.0850 179.0322 37 V 3.9072 8.3164 119.8869 66.0537 31.4710 177.9540 38 T 3.8586 8.5287 115.5331 66.6056 68.2501 176.2962 39 A 3.9024 8.1872 122.4076 55.3668 18.4056 178.9408 40 M 3.9261 8.1703 116.7613 59.2327 32.1961 178.7292 41 K 4.0318 8.3407 118.1386 59.4858 32.0519 178.8544 42 C 4.2889 8.1500 117.1128 59.8927 38.7746 175.8457 43 F 4.0020 8.1168 119.5496 60.6695 38.1236 177.7637 44 L 4.3035 8.0874 117.4570 57.7359 41.7635 179.3752 45 L 4.2052 8.0319 118.9117 58.0818 41.6897 179.5646 46 E 4.0319 8.5676 118.3158 59.0043 29.4076 179.1415 47 L 4.2511 8.3667 120.6975 58.0680 42.1693 178.8653 48 Q 4.1069 8.2011 118.0866 58.7363 28.5217 178.9513 49 V 3.6002 7.7452 119.6196 65.8429 31.5329 178.0828 50 I 3.6645 7.6513 119.1517 64.3411 36.8797 178.0757 51 S 4.1173 7.9329 113.3565 61.4325 62.0355 176.2833 52 L 4.0202 7.7148 120.0679 58.0336 41.5203 179.2474 53 E 4.1265 8.4499 117.6586 59.0204 29.3664 179.2911 54 S 4.3107 8.1835 114.2953 59.7505 63.2088 175.1957 55 G 3.9536 7.8599 108.5396 45.9971 0.0000 172.1216 56 D 4.8629 7.8641 118.4944 51.6009 43.4335 176.6611 57 A 3.9998 8.7360 128.4233 55.4142 18.3797 179.7007 58 S 4.0434 8.0624 111.0299 61.4809 62.5688 175.9302 59 I 3.6709 8.1727 122.6661 64.8414 36.8035 177.6537 60 H 4.2491 8.4279 120.3970 58.8914 29.6332 176.9978 61 D 4.3081 8.2409 120.5000 57.5189 40.5326 178.9900 62 T 3.7985 8.1566 116.4264 66.5487 68.5442 176.6372 63 V 3.5806 7.9588 120.5858 66.2619 31.4333 177.6332 64 E 3.8756 8.3185 118.8593 59.2274 29.5023 178.1253 65 N 4.2061 8.0801 117.0712 56.5796 38.9120 176.3535 66 L 3.8881 8.1086 121.8502 58.4354 42.2007 179.1116 67 I 3.7733 7.8435 119.5502 64.3369 36.9080 178.5437 68 I 3.6666 7.7558 120.7084 64.2600 37.0155 178.1825 69 L 3.7569 7.8810 119.4811 57.7600 41.4025 179.1721 70 A 3.0721 7.9898 120.5917 55.3854 18.3339 179.4938 71 N 4.2442 8.5801 114.9569 56.2756 38.3253 177.0653 72 N 4.2140 8.0407 117.9379 56.9418 39.1769 176.8299 73 S 4.1953 7.6038 116.1427 61.5412 62.6258 176.7038 74 L 4.2478 8.0075 121.2358 57.5301 41.4803 179.0051 75 S 4.5039 8.1715 112.7601 59.6511 63.1004 175.5626 76 S 4.6667 7.4200 118.1184 58.7376 62.3141 173.3793 77 N 5.0784 7.7410 115.9549 50.7728 40.5335 175.5456 78 G 3.8205 8.6470 109.0595 47.7568 0.0000 174.0434 79 N 4.0836 7.8523 115.5020 54.2854 36.5936 175.7537 80 V 3.7531 7.4813 116.9576 62.7089 32.7799 174.8090 81 T 4.5644 8.3152 117.0664 59.6802 70.2989 173.5992 82 E 4.3088 8.6672 126.3028 56.0467 30.4441 176.4102 83 S 4.5197 8.2693 117.3671 58.5619 66.9133 174.4699 84 G 3.9025 8.9845 111.9347 45.5848 0.0000 174.2152 85 C 4.5434 7.5823 116.0829 55.7807 41.0975 173.5843 86 K 4.3435 8.1787 120.9198 56.2401 32.4898 177.4070 87 E 4.1763 8.9564 122.1691 56.1284 30.3741 177.5806 88 C 4.0749 8.6270 118.1257 60.3710 40.2802 175.7538 89 E 2.5400 7.5679 115.5034 56.9286 29.0793 177.0277 90 E 4.2422 7.5772 118.1489 57.0638 30.2318 176.6959 91 L 4.3025 7.2166 118.8063 53.9530 42.6252 176.7519 92 E 4.1328 8.8509 122.3731 56.9462 30.8356 175.2235 93 E 5.0821 8.7415 125.0501 55.1330 31.2767 175.3309 94 K 4.8923 8.7043 122.2370 54.2458 37.2723 175.6515 95 N 5.0099 8.5849 119.0642 52.1212 38.7017 176.2089 96 I 3.7817 8.4421 118.6764 64.5266 37.0295 178.3564 97 K 3.9194 8.2436 118.6930 60.0184 31.8700 178.9375 98 E 4.0559 8.6252 118.3454 59.1925 29.3584 179.0044 99 F 4.3109 8.5597 120.8607 61.7346 39.4047 177.3391 100 L 4.0678 8.6424 118.7762 57.7373 41.4322 179.3412 101 Q 3.8487 8.2814 119.6442 59.3239 29.0115 178.5371 102 S 4.1953 8.3705 116.3400 61.1230 62.8280 176.4933 103 F 2.5725 7.8979 123.5501 60.7052 39.0245 177.0061 104 V 3.4369 7.7200 118.0413 66.5019 31.0074 177.2692 105 H 4.1333 7.5740 114.1311 59.2325 28.9933 177.1444 106 I 3.7998 7.6934 119.9031 63.9796 37.7116 177.9407 107 V 3.2170 7.7832 119.0919 66.1892 31.0240 177.8936 108 Q 3.9587 8.2394 117.7148 59.2892 28.2771 178.6753 109 M 4.0340 7.6446 117.4622 57.5842 32.3767 177.2586 110 F 4.0719 7.8687 116.1059 56.9332 39.7987 176.0649 111 I 4.2431 6.8360 120.2247 61.0741 37.7358 175.7259 112 N 4.5671 8.5367 120.2733 53.2832 37.1562 174.1560 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 -4 A 8.26 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 M 8.35 4.04 0.00 2.10 2.01 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 2.60 2.60 0.00 -2 A 9.16 4.49 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 -1 I 8.01 4.47 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.92 0.00 0.00 0 S 8.61 4.18 0.00 3.93 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 1 N 8.81 4.23 0.00 2.24 2.45 0.00 0.00 7.15 7.68 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 2 W 7.81 4.45 0.00 3.31 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 3 V 7.92 3.70 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 1.05 0.00 0.00 0.99 0.00 0.00 4 N 7.91 4.55 0.00 2.88 2.79 0.00 0.00 7.23 7.68 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 5 V 8.08 3.52 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 1.03 0.00 0.00 0.90 0.00 0.00 6 I 7.81 3.69 2.03 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 1.54 0.83 nan 0.00 0.00 7 S 8.00 4.18 0.00 4.02 4.10 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 8 D 8.23 4.31 0.00 2.81 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 9 L 8.07 3.84 0.00 1.61 1.55 0.34 0.19 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 10 K 8.05 3.94 0.00 1.91 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.63 7.81 11 K 8.16 3.95 0.00 1.82 1.99 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 I 8.10 3.71 2.01 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 1.41 0.85 0.95 0.00 0.00 13 E 8.13 3.97 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 14 D 8.14 4.46 0.00 2.85 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 15 L 7.88 4.15 0.00 1.67 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.85 4.06 1.88 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 1.84 0.79 0.99 0.00 0.00 17 Q 7.46 3.96 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 18 S 7.88 4.21 0.00 3.94 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 19 M 7.25 4.33 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 20 H 8.08 4.95 0.00 3.09 3.19 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.61 4.17 1.87 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 1.47 0.49 0.89 0.00 0.00 22 D 8.53 4.87 0.00 2.72 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 23 A 8.06 4.01 1.21 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 0.00 0.00 24 T 8.08 4.78 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 1.17 0.00 0.00 25 L 8.55 4.61 0.00 1.11 0.99 0.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 9.06 4.74 0.00 2.83 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 27 T 8.83 4.27 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 1.38 0.00 0.00 28 E 8.22 4.24 0.00 1.80 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 2.30 2.46 0.00 29 S 8.63 4.73 0.00 3.94 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 30 D 8.62 4.85 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.73 3.50 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 0.80 0.00 0.00 1.00 0.00 0.00 32 H 8.93 4.12 0.00 3.23 3.17 0.00 5.79 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 33 P 0.00 3.96 0.00 2.18 2.17 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 34 S 8.25 4.51 0.00 3.96 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 35 C 9.11 5.25 0.00 2.97 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 36 K 8.10 3.93 0.00 2.05 2.06 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.59 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.51 7.81 37 V 8.32 3.91 2.44 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 1.21 0.00 0.00 1.17 0.00 0.00 38 T 8.53 3.86 4.41 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 1.24 0.00 0.00 39 A 8.19 3.90 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.17 3.93 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 41 K 8.34 4.03 0.00 2.00 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.71 7.81 42 C 8.15 4.29 0.00 2.95 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 43 F 8.12 4.00 0.00 2.55 1.45 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 0.00 0.00 0.00 0.00 44 L 8.09 4.30 0.00 1.83 1.87 1.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.03 4.21 0.00 1.93 1.76 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.57 4.03 0.00 2.21 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.72 0.00 47 L 8.37 4.25 0.00 2.50 2.10 1.28 0.83 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 48 Q 8.20 4.11 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 49 V 7.75 3.60 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 0.93 0.00 0.00 0.88 0.00 0.00 50 I 7.65 3.66 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.95 0.00 0.00 51 S 7.93 4.12 0.00 3.96 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 52 L 7.71 4.02 0.00 1.86 1.71 0.97 0.77 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 53 E 8.45 4.13 0.00 1.93 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 2.50 0.00 54 S 8.18 4.31 0.00 4.04 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 0.00 55 G 7.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.86 4.86 0.00 2.76 2.51 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 57 A 8.74 4.00 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 58 S 8.06 4.04 0.00 3.90 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 59 I 8.17 3.67 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.94 0.00 0.00 60 H 8.43 4.25 0.00 3.29 3.56 0.00 5.83 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 61 D 8.24 4.31 0.00 2.90 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 62 T 8.16 3.80 4.35 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 1.22 0.00 0.00 63 V 7.96 3.58 2.26 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 1.09 0.00 0.00 1.04 0.00 0.00 64 E 8.32 3.88 0.00 2.05 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 2.28 2.28 0.00 65 N 8.08 4.21 0.00 2.89 2.96 0.00 0.00 6.89 6.75 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 66 L 8.11 3.89 0.00 1.84 1.83 0.68 1.32 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 67 I 7.84 3.77 2.02 0.00 0.00 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 1.63 0.48 0.94 0.00 0.00 68 I 7.76 3.67 1.95 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 1.50 0.77 0.87 0.00 0.00 69 L 7.88 3.76 0.00 1.72 1.46 0.91 0.75 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 70 A 7.99 3.07 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 0.00 0.00 71 N 8.58 4.24 0.00 2.84 2.86 0.00 0.00 6.72 6.86 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 72 N 8.04 4.21 0.00 2.59 2.89 0.00 0.00 7.28 8.42 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 73 S 7.60 4.20 0.00 3.29 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 74 L 8.01 4.25 0.00 1.67 1.84 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.17 4.50 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.42 4.67 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.74 5.08 0.00 2.84 2.78 0.00 0.00 6.81 6.88 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 78 G 8.65 3.82 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 0.00 0.00 0.00 79 N 7.85 4.08 0.00 2.82 2.83 0.00 0.00 7.18 7.68 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 80 V 7.48 3.75 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 0.83 0.00 0.00 0.95 0.00 0.00 81 T 8.32 4.56 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 82 E 8.67 4.31 0.00 1.99 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 2.33 2.36 0.00 83 S 8.27 4.52 0.00 3.79 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 84 G 8.98 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 0.00 0.00 0.00 85 C 7.58 4.54 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.34 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.43 7.81 87 E 8.96 4.18 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 88 C 8.63 4.07 0.00 2.77 2.97 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 89 E 7.57 2.54 0.00 1.70 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 2.22 1.96 0.00 90 E 7.58 4.24 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 91 L 7.22 4.30 0.00 1.68 1.77 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.85 4.13 0.00 2.09 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 2.42 2.39 0.00 93 E 8.74 5.08 0.00 1.83 1.68 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 2.13 2.37 0.00 94 K 8.70 4.89 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.39 1.41 7.81 95 N 8.58 5.01 0.00 2.97 2.98 0.00 0.00 5.92 7.73 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 96 I 8.44 3.78 1.92 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 1.64 0.94 1.00 0.00 0.00 97 K 8.24 3.92 0.00 1.99 1.93 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 98 E 8.63 4.06 0.00 2.13 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 2.38 2.60 0.00 99 F 8.56 4.31 0.00 3.27 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 0.00 100 L 8.64 4.07 0.00 1.80 1.74 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.28 3.85 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 102 S 8.37 4.20 0.00 4.28 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 0.00 103 F 7.90 2.57 0.00 2.56 2.66 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 0.00 0.00 0.00 0.00 104 V 7.72 3.44 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 0.98 0.00 0.00 0.81 0.00 0.00 105 H 7.57 4.13 0.00 3.31 3.32 0.00 5.73 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 0.00 106 I 7.69 3.80 1.80 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.52 0.00 0.00 107 V 7.78 3.22 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 1.24 0.00 0.00 1.06 0.00 0.00 108 Q 8.24 3.96 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 109 M 7.64 4.03 0.00 2.15 2.04 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 2.50 2.35 0.00 110 F 7.87 4.07 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 6.84 4.24 2.03 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 1.57 0.73 0.98 0.00 0.00 112 N 8.54 4.57 0.00 2.78 2.72 0.00 0.00 5.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00