NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4464 8.1927 115.4137 57.8302 64.6566 174.1588 3 V 3.3514 8.1901 118.8903 65.2832 31.0777 175.7135 4 Y 4.0490 8.8264 120.1470 60.8613 38.8528 177.2395 5 D 4.1845 7.9133 118.1652 57.3524 41.0129 178.3712 6 A 4.0355 7.7213 119.7998 55.0637 18.5934 179.2914 7 A 3.9266 8.1603 119.3411 54.6676 18.6435 178.5936 8 A 4.4703 8.1582 119.8083 52.3331 18.8866 178.1893 9 Q 4.2529 7.5821 118.3206 56.8149 31.0772 175.1105 10 L 3.8551 7.5129 118.7341 54.9686 41.5239 177.6975 11 T 4.2560 8.1854 114.7630 60.5034 71.4667 175.1997 12 A 3.9434 8.4026 122.7600 55.3868 18.2821 179.5727 13 D 4.2759 7.9471 117.1518 56.5406 39.5463 178.8707 14 V 3.4949 7.4624 119.3984 65.6311 31.4625 178.1907 15 K 3.8376 8.2652 118.6011 59.1156 31.7436 179.2275 16 K 3.9226 8.1193 119.9298 59.7483 32.1579 178.6692 17 D 4.5564 8.1384 119.1185 57.2480 40.6433 178.8141 18 L 3.7630 8.0412 119.6593 57.8195 41.5851 179.8055 19 R 4.0549 8.2050 118.1381 59.3935 29.3624 178.8819 20 D 4.4719 8.5252 119.2060 57.4549 40.8023 179.0452 21 S 3.0245 8.1781 114.8182 60.6605 63.0619 176.3377 22 W 4.3028 8.6514 132.0201 60.0994 30.2071 177.9921 23 K 3.9774 7.9893 118.0363 58.9845 31.7116 178.7998 24 V 3.8662 6.9924 115.1539 65.4120 31.5589 178.2055 25 I 3.6946 7.7564 112.8993 63.2995 37.2151 177.4168 26 G 2.0000 6.9920 105.7159 44.7369 0.0000 175.1540 27 S 4.2721 7.2211 116.0007 59.3087 64.8583 173.8765 28 D 4.7104 7.0417 121.8948 51.2109 40.9930 175.6474 29 K 3.9305 7.9675 123.0978 58.5891 32.4316 178.3938 30 K 4.0075 7.9667 119.5363 59.4014 32.3502 178.9725 31 G 3.5954 8.0718 107.2156 47.5767 0.0000 175.4904 32 N 4.4743 8.3736 119.8237 55.3139 38.5879 178.0141 33 G 3.5018 8.1684 107.5449 47.8396 0.0000 176.0698 34 V 3.6027 7.8185 120.8790 65.3992 31.5067 177.9653 35 A 4.0091 7.8100 121.9736 54.3861 18.1983 179.5805 36 L 3.7973 7.9418 117.4961 58.2179 41.7440 179.7396 37 M 3.5106 7.7113 118.5041 58.3760 31.4097 178.9671 38 T 3.9714 8.0312 110.2474 65.1665 68.8276 176.7035 39 T 3.8539 7.8653 118.5674 66.0874 68.3882 176.4565 40 L 3.8346 7.6246 122.3152 58.2648 41.8471 179.1761 41 F 4.5471 7.5553 116.1873 60.2230 38.8511 177.3721 42 A 4.1961 7.8450 120.1324 54.9803 18.4009 178.7960 43 D 4.6559 8.1177 115.3807 54.9443 42.8913 176.7849 44 N 5.2688 8.0956 115.7453 49.4855 39.1665 174.9927 45 Q 4.2481 8.1034 120.0028 58.6680 29.4233 177.9937 46 E 4.1806 8.2853 117.8046 58.3407 29.8291 178.0235 47 T 4.5702 8.2042 110.4723 62.8971 69.4687 176.5355 48 I 3.7440 7.8193 123.7406 64.7099 36.9034 178.1208 49 G 3.6392 8.0181 104.7479 48.1025 0.0000 174.8448 50 Y 4.3929 7.6158 117.2489 59.8741 38.0538 176.6086 51 F 4.9182 8.1878 118.6585 57.0081 39.8741 178.1531 52 K 3.9866 8.2199 123.0090 59.4235 32.0827 179.4392 53 R 3.9749 7.9962 117.9381 59.0059 30.0937 177.0515 54 L 4.2465 8.0325 116.0041 54.9599 42.6978 179.0498 55 G 3.7645 7.6776 106.4172 45.7751 0.0000 175.3467 56 D 4.4755 8.3788 121.4834 53.4828 40.0089 177.4989 57 V 3.8470 7.9539 119.8837 62.7849 31.7849 178.2866 58 S 4.3635 8.1774 114.0828 59.8392 63.1986 175.2356 59 Q 4.1357 8.1890 120.3929 56.3630 29.9775 177.3153 60 G 3.8829 7.6547 107.8917 46.2809 0.0000 176.3968 61 M 3.9595 8.9729 121.3639 58.3628 32.0737 177.2994 62 A 3.9906 7.5755 120.6229 54.3005 18.8151 177.3195 63 N 4.5544 8.1404 115.0183 53.0303 39.2294 175.0319 64 D 4.3824 8.7121 129.2371 57.6174 41.0469 179.0550 65 K 4.0248 8.1215 118.3815 59.2576 32.0555 179.0936 66 L 4.0485 8.4652 120.8349 58.0034 42.0182 178.9928 67 R 3.9995 8.3911 119.1014 59.4248 30.1891 178.7381 68 G 3.6570 8.3904 105.7878 47.9979 0.0000 175.1823 69 H 4.2288 8.4518 120.5765 59.2389 29.8547 177.6049 70 S 4.0819 8.4970 117.3582 61.6374 62.4137 176.8296 71 I 3.7943 7.7583 121.5382 64.7388 37.2601 178.3004 72 T 4.1788 7.9389 116.3558 66.5559 68.3322 176.3900 73 L 3.9635 8.1991 122.5075 58.5040 42.1063 179.0165 74 M 4.2779 7.9900 118.1430 58.2058 31.8529 177.9807 75 Y 4.0795 7.9767 116.2558 60.0156 38.1158 177.6900 76 A 3.8501 7.7283 121.9360 54.9306 18.4057 179.6571 77 L 3.5031 7.5180 117.0675 57.4599 41.6545 179.1957 78 Q 3.6714 7.8403 119.6283 59.0029 28.7785 177.7540 79 N 4.2904 7.8568 116.6969 56.8741 39.4212 176.3146 80 F 4.5482 7.9086 118.8787 60.9286 38.8692 177.7553 81 I 3.5588 7.6784 119.2584 64.5064 36.6118 178.2672 82 D 4.4387 8.1754 118.4825 56.4540 40.9221 177.6836 83 Q 4.4588 7.6576 116.7842 55.6298 28.7960 177.0414 84 L 3.9121 7.3522 121.8797 57.9770 41.7981 177.9230 85 D 4.5022 7.8674 114.9103 55.1235 41.2895 176.5599 86 N 4.8129 8.0712 117.9414 50.0408 40.0010 171.9387 87 P 4.1530 0.0000 0.0000 65.6012 31.4081 177.7511 88 D 4.4763 8.1968 117.3219 57.5562 40.8708 178.6137 89 D 4.3725 8.2275 118.9189 57.0555 40.9724 178.3165 90 L 3.8811 8.1005 121.0703 58.0731 41.9790 179.1615 91 V 3.5276 8.1592 118.8000 66.2135 31.3683 177.8464 92 C 4.1444 7.9321 113.9023 61.2378 29.5663 176.1087 93 V 3.7873 7.7909 114.5295 63.7592 31.1409 178.7209 94 V 3.5314 7.8473 118.3647 65.9837 31.3348 177.9891 95 E 3.9122 8.4352 118.6362 59.0445 28.6874 179.2981 96 K 3.9298 7.8466 119.9594 59.5221 32.0498 178.7403 97 L 4.1076 8.0651 120.1499 57.9536 41.9267 178.7075 98 A 3.9780 8.2376 121.2507 55.0856 18.2999 179.7048 99 V 3.5522 7.8397 116.7639 66.2874 31.3611 178.0440 100 N 4.4055 7.8112 114.2767 56.0486 38.6032 176.2643 101 H 4.5538 7.7775 115.7695 57.5814 29.3947 177.5508 102 I 3.7522 8.1491 122.5921 64.4703 36.6923 178.4956 103 T 3.8746 7.8637 108.9992 64.1065 68.6923 175.1165 104 R 4.2895 7.7365 118.8368 55.2915 30.2524 175.9915 105 K 3.8117 7.8108 116.1743 57.4750 29.8346 175.6875 106 I 4.0076 7.6224 120.5822 60.2030 37.5434 177.1209 107 S 4.4984 8.7639 121.2634 57.4057 65.4467 175.0481 108 A 3.9786 8.4764 123.3178 55.2632 17.8484 179.7560 109 A 4.0115 7.9224 117.8363 55.4545 18.8888 179.2770 110 E 4.1382 8.2794 117.1051 59.4725 29.6383 179.2964 111 F 4.1601 8.7351 121.1875 61.1297 39.4701 177.1349 112 G 3.8792 8.2122 104.3966 46.7339 0.0000 175.3630 113 K 4.1592 8.0701 120.7548 58.7844 32.0351 178.6056 114 I 3.7937 7.5766 118.6983 63.2649 37.8005 177.3188 115 N 4.4839 8.2115 117.9800 56.2761 38.3028 177.3083 116 G 3.5734 7.6901 105.9189 47.4739 0.0000 173.8606 117 P 4.2214 0.0000 0.0000 65.0939 31.2522 178.7874 118 I 3.4993 7.7354 118.4664 64.1213 36.9858 178.3018 119 K 3.9080 8.1113 120.4387 59.5515 32.1338 179.0109 120 K 3.9764 8.0847 118.7139 59.4110 31.6398 179.5958 121 V 3.5604 7.9622 118.7521 65.8294 31.3578 178.1019 122 L 4.1084 8.1555 118.8243 57.8358 41.5101 179.3884 123 A 4.1525 8.2541 120.8951 55.0101 18.0511 179.6562 124 S 4.2141 7.8331 111.4230 60.3476 63.0640 175.2655 125 K 4.3345 7.0083 120.6543 55.8619 32.1522 175.9111 126 N 4.1639 8.0001 114.3489 54.0608 36.2336 173.9013 127 F 4.3569 8.1654 118.0688 56.3472 39.8430 177.0255 128 G 4.1295 8.6585 114.8818 44.1395 0.0000 172.3921 129 D 4.5004 8.9346 118.7322 57.6726 40.8722 178.6789 130 K 3.8486 8.1563 119.2930 59.9402 32.1655 178.2963 131 Y 4.1292 8.0780 116.1503 60.8960 37.9479 177.8848 132 A 4.2308 8.2612 121.8990 55.3486 18.5430 179.4476 133 N 4.3550 8.7701 115.2467 56.3014 38.4562 177.4975 134 A 3.9411 7.9291 121.9670 55.1004 18.4340 179.8183 135 W 3.8283 8.5107 117.2035 59.6704 29.0990 178.6730 136 A 4.1090 8.2835 120.9105 55.0360 17.5338 179.8585 137 K 3.9677 7.6547 116.1139 59.3364 32.3761 179.0579 138 L 3.9742 7.5623 120.9688 58.0374 42.0038 179.1239 139 V 3.8259 8.2481 118.2500 66.0101 31.5889 177.8496 140 A 4.6593 8.1148 121.6993 54.2703 17.8894 179.7919 141 V 3.4651 7.3405 116.6598 66.0548 31.7758 178.0989 142 V 3.5305 7.5858 117.5964 65.9565 31.5474 177.8709 143 Q 3.8505 8.1086 117.5760 58.7125 28.2797 178.5156 144 A 4.0822 7.7761 120.0719 53.8670 18.4597 178.2990 145 A 4.4336 7.7012 117.4207 51.8960 19.6340 176.9290 146 L 4.1900 7.5255 123.0636 54.6875 41.9803 176.3259 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 2 S 8.19 4.45 0.00 4.05 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 3 V 8.19 3.35 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 1.06 0.00 0.00 0.92 0.00 0.00 4 Y 8.83 4.05 0.00 3.04 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 5 D 7.91 4.18 0.00 2.87 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 6 A 7.72 4.04 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 7 A 8.16 3.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.16 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.58 4.25 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.45 0.00 10 L 7.51 3.86 0.00 1.52 1.57 0.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.19 4.26 4.19 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 1.18 0.00 0.00 12 A 8.40 3.94 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 13 D 7.95 4.28 0.00 2.91 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 14 V 7.46 3.49 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 0.96 0.00 0.00 0.86 0.00 0.00 15 K 8.27 3.84 0.00 1.91 1.78 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.57 7.81 16 K 8.12 3.92 0.00 1.95 2.01 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.58 7.81 17 D 8.14 4.56 0.00 2.79 2.59 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 18 L 8.04 3.76 0.00 1.62 1.26 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.21 4.05 0.00 2.02 2.05 0.00 3.13 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 20 D 8.53 4.47 0.00 2.97 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 21 S 8.18 3.02 0.00 3.38 3.23 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 22 W 8.65 4.30 0.00 3.79 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.99 3.98 0.00 1.98 1.88 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.85 7.81 24 V 6.99 3.87 2.33 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 1.14 0.00 0.00 1.12 0.00 0.00 25 I 7.76 3.69 1.62 0.00 0.00 0.58 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 0.29 0.75 0.00 0.00 26 G 6.99 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.22 4.27 0.00 3.95 4.04 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 0.00 0.00 0.00 0.00 28 D 7.04 4.71 0.00 2.48 2.41 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 29 K 7.97 3.93 0.00 1.75 1.72 0.00 1.22 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.37 7.81 30 K 7.97 4.01 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.07 3.60 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 0.00 0.00 0.00 32 N 8.37 4.47 0.00 2.70 2.73 0.00 0.00 6.99 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 33 G 8.17 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.82 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 1.09 0.00 0.00 0.96 0.00 0.00 35 A 7.81 4.01 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 36 L 7.94 3.80 0.00 1.79 1.58 0.81 0.66 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 37 M 7.71 3.51 0.00 1.65 1.95 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 38 T 8.03 3.97 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 1.29 0.00 0.00 39 T 7.87 3.85 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 1.20 0.00 0.00 40 L 7.62 3.83 0.00 1.57 1.23 0.87 0.63 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 41 F 7.56 4.55 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 42 A 7.85 4.20 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 43 D 8.12 4.66 0.00 2.66 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 44 N 8.10 5.27 0.00 3.01 2.91 0.00 0.00 7.17 7.36 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 45 Q 8.10 4.25 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 46 E 8.29 4.18 0.00 2.16 2.23 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 2.44 2.36 0.00 47 T 8.20 4.57 4.76 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 1.43 0.00 0.00 48 I 7.82 3.74 1.90 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 1.12 0.88 0.72 0.00 0.00 49 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.39 0.00 2.84 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 51 F 8.19 4.92 0.00 3.18 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 52 K 8.22 3.99 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.37 7.81 53 R 8.00 3.97 0.00 1.80 2.02 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.03 4.25 0.00 1.84 1.75 0.98 0.86 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 55 G 7.68 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 56 D 8.38 4.48 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.28 0.00 0.00 58 S 8.18 4.36 0.00 3.97 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 59 Q 8.19 4.14 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 60 G 7.65 3.88 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 0.00 0.00 0.00 61 M 8.97 3.96 0.00 1.97 2.12 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 2.59 2.61 0.00 62 A 7.58 3.99 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 63 N 8.14 4.55 0.00 2.79 2.89 0.00 0.00 7.02 7.82 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 64 D 8.71 4.38 0.00 2.74 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 65 K 8.12 4.02 0.00 2.11 1.90 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.47 4.05 0.00 1.81 1.86 1.04 0.86 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 67 R 8.39 4.00 0.00 2.07 2.05 0.00 3.16 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.39 3.66 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 0.00 0.00 0.00 69 H 8.45 4.23 0.00 3.41 3.63 0.00 5.79 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 70 S 8.50 4.08 0.00 4.02 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 71 I 7.76 3.79 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 1.16 0.00 0.00 72 T 7.94 4.18 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 1.25 0.00 0.00 73 L 8.20 3.96 0.00 1.67 1.80 0.90 1.19 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 74 M 7.99 4.28 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 75 Y 7.98 4.08 0.00 3.25 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 76 A 7.73 3.85 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 77 L 7.52 3.50 0.00 1.51 1.08 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.84 3.67 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 79 N 7.86 4.29 0.00 2.92 2.97 0.00 0.00 7.30 6.51 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 80 F 7.91 4.55 0.00 3.03 2.85 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 81 I 7.68 3.56 1.63 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.11 0.86 0.00 0.00 82 D 8.18 4.44 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.66 4.46 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 84 L 7.35 3.91 0.00 1.52 1.67 0.78 0.82 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 85 D 7.87 4.50 0.00 2.65 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 86 N 8.07 4.81 0.00 2.71 2.65 0.00 0.00 7.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.15 0.00 2.18 1.82 0.00 3.65 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 1.99 2.07 0.00 88 D 8.20 4.48 0.00 2.88 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 89 D 8.23 4.37 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.10 3.88 0.00 1.85 1.71 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.16 3.53 2.31 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 1.09 0.00 0.00 1.05 0.00 0.00 92 C 7.93 4.14 0.00 3.15 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 93 V 7.79 3.79 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 1.02 0.00 0.00 1.14 0.00 0.00 94 V 7.85 3.53 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 0.92 0.00 0.00 0.15 0.00 0.00 95 E 8.44 3.91 0.00 2.03 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 2.29 2.56 0.00 96 K 7.85 3.93 0.00 1.92 2.03 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.62 7.81 97 L 8.07 4.11 0.00 2.00 2.03 0.99 1.21 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 98 A 8.24 3.98 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 99 V 7.84 3.55 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 1.03 0.00 0.00 1.01 0.00 0.00 100 N 7.81 4.41 0.00 3.01 2.84 0.00 0.00 7.02 8.04 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 0.00 101 H 7.78 4.55 0.00 3.39 3.40 0.00 5.82 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 0.00 102 I 8.15 3.75 1.99 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 1.55 0.77 0.90 0.00 0.00 103 T 7.86 3.87 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 1.31 0.00 0.00 104 R 7.74 4.29 0.00 1.81 1.79 0.00 3.33 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 105 K 7.81 3.81 0.00 1.93 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.57 7.81 106 I 7.62 4.01 2.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 1.01 0.00 0.00 107 S 8.76 4.50 0.00 4.10 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.48 3.98 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 0.00 109 A 7.92 4.01 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 0.00 110 E 8.28 4.14 0.00 2.26 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 2.44 2.39 0.00 111 F 8.74 4.16 0.00 3.26 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 0.00 112 G 8.21 3.88 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 0.00 0.00 0.00 113 K 8.07 4.16 0.00 1.95 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.57 7.81 114 I 7.58 3.79 1.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.79 0.00 0.00 115 N 8.21 4.48 0.00 2.97 2.89 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 0.00 116 G 7.69 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 0.00 117 P 0.00 4.22 0.00 2.15 2.14 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 118 I 7.74 3.50 1.95 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 1.17 0.69 0.61 0.00 0.00 119 K 8.11 3.91 0.00 1.96 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.08 3.98 0.00 1.96 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 121 V 7.96 3.56 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 0.91 0.00 0.00 0.89 0.00 0.00 122 L 8.16 4.11 0.00 1.96 1.97 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.25 4.15 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 0.00 124 S 7.83 4.21 0.00 4.05 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 0.00 125 K 7.01 4.33 0.00 2.17 1.89 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.55 7.81 126 N 8.00 4.16 0.00 2.60 2.76 0.00 0.00 6.85 7.04 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 0.00 127 F 8.17 4.36 0.00 3.10 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.66 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 0.00 129 D 8.93 4.50 0.00 2.74 2.80 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 0.00 130 K 8.16 3.85 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 1.36 7.81 131 Y 8.08 4.13 0.00 3.45 3.20 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 0.00 132 A 8.26 4.23 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 0.00 133 N 8.77 4.35 0.00 2.94 2.89 0.00 0.00 6.91 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.93 3.94 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 0.00 135 W 8.51 3.83 0.00 3.63 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 0.00 136 A 8.28 4.11 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 0.00 137 K 7.65 3.97 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.61 7.81 138 L 7.56 3.97 0.00 1.43 1.70 0.71 0.51 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 0.00 139 V 8.25 3.83 2.36 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 1.19 0.00 0.00 1.22 0.00 0.00 140 A 8.11 4.66 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 0.00 141 V 7.34 3.47 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 0.64 0.00 0.00 0.82 0.00 0.00 142 V 7.59 3.53 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 0.37 0.00 0.00 0.96 0.00 0.00 143 Q 8.11 3.85 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 144 A 7.78 4.08 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 0.00 145 A 7.70 4.43 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 0.00 146 L 7.53 4.19 0.00 1.67 1.50 0.50 0.72 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