NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5472 8.1633 118.3390 54.9776 33.1892 174.3551 2 E 4.5026 8.7676 121.3674 56.1555 30.2139 172.8735 3 E 4.8393 9.7382 123.3974 54.7088 34.5373 174.7159 4 K 4.6116 8.4059 120.5418 54.8974 34.3779 177.9355 5 V 3.5738 9.2930 124.2393 66.0913 31.6117 178.7362 6 G 3.6819 8.2905 107.8107 47.9644 0.0000 173.6040 7 N 4.5930 7.9136 116.6404 53.9222 39.3607 175.2256 8 L 4.1846 7.5140 117.4399 55.5314 42.2097 176.3881 9 K 4.7633 8.1339 120.1270 53.5733 35.8914 174.4603 10 P 4.4046 0.0000 0.0000 63.8924 31.7891 175.9285 11 N 4.3676 8.2499 116.6486 54.7475 36.5234 174.7168 12 M 4.4095 8.3049 118.6904 54.7399 32.7353 177.8202 13 E 4.0726 8.8637 124.1410 58.7660 30.1318 177.0549 14 S 4.7991 7.8429 112.9240 57.0933 65.1102 173.7968 15 V 4.8191 9.1087 120.5133 59.6350 35.8921 174.3707 16 N 5.5971 9.0821 121.6353 51.6886 41.2776 174.1533 17 V 4.8699 8.7855 115.7613 59.9842 36.8003 174.2813 18 T 5.0541 8.5616 119.0293 62.0470 70.7125 174.0374 19 V 4.8401 8.5192 118.5490 59.7723 36.8938 174.1530 20 R 4.5937 8.9282 123.8341 55.3117 32.0198 175.5613 21 V 4.1643 8.6645 126.7549 62.6446 31.7330 176.2561 22 L 4.2813 8.8814 129.4200 56.8513 42.8020 177.0651 23 E 4.7937 7.8278 117.0887 55.0146 33.2305 174.1266 24 A 4.9795 8.3324 126.9561 50.7750 21.7096 176.0551 25 S 4.5936 8.7763 119.3935 57.3139 64.6222 174.4918 26 E 4.0403 8.5509 120.5223 56.1126 29.8571 177.2017 27 A 4.5202 8.2290 123.8844 52.5708 19.3786 176.6557 28 R 4.5922 8.8535 115.5379 55.2828 33.3928 173.9611 29 Q 4.9633 8.5218 118.9837 55.2317 30.1827 175.4710 30 I 4.7307 8.5416 115.3229 59.1085 41.3606 174.4327 31 Q 4.7580 8.7138 123.2383 55.9360 29.6792 175.4037 32 T 4.7815 8.4555 112.1690 59.2626 72.1705 174.8279 33 K 3.9163 8.7350 122.9033 59.2979 32.2023 177.1116 34 N 4.5904 8.4309 113.3490 52.6395 38.8655 173.8593 35 G 4.1660 7.3796 105.0145 42.6606 0.0000 173.1334 36 V 4.2135 7.9633 120.3409 62.8727 32.1889 175.3670 37 R 4.9086 8.9658 125.1489 54.7798 34.7845 174.1996 38 T 4.9670 8.4974 118.1478 62.5273 70.3616 173.9674 39 I 5.0797 8.6901 119.0907 59.1526 41.6609 174.0827 40 S 4.9358 8.6107 116.3540 56.7082 66.9495 172.4268 41 E 5.1749 8.5583 118.8656 54.7009 32.6273 174.9380 42 A 4.9156 8.8621 123.3777 50.4685 23.6258 174.7022 43 I 4.8468 8.4418 119.9150 59.7507 39.5941 175.6391 44 V 4.9711 8.6772 119.5440 59.9744 36.0897 174.7338 45 G 4.5641 8.7859 109.1165 46.0032 0.0000 171.3588 46 D 5.4035 8.8399 118.4809 51.7119 42.0966 175.7309 47 E 4.0365 8.7086 115.9491 58.6892 29.5430 177.1857 48 T 4.3111 9.1317 109.0596 60.5633 70.1126 174.5067 49 G 4.0613 6.3803 111.2680 45.3478 0.0000 170.7028 50 R 5.3397 8.0087 115.3277 54.6152 33.3397 174.7516 51 V 4.7047 8.4349 117.7375 60.2008 35.4091 173.1619 52 K 4.5726 8.6918 124.3298 56.3511 33.5116 174.9174 53 L 5.0131 8.9464 130.2518 53.7513 44.3391 174.8380 54 T 4.7175 8.5454 123.5673 61.2848 70.5825 173.7116 55 L 4.7284 8.5623 127.9545 53.2513 43.1902 176.0036 56 W 5.0371 9.4043 125.1311 54.8521 31.6919 178.7358 57 G 3.9269 8.9649 111.5561 46.2952 0.0000 177.9453 58 K 3.9765 8.9615 123.3171 59.6104 32.4941 177.4580 59 H 4.4494 8.2175 115.7228 56.9035 29.1262 175.1484 60 A 4.1690 7.7835 123.5447 53.5525 18.3305 177.6266 61 G 3.9019 9.0017 111.6029 46.1330 0.0000 174.4122 62 S 4.4765 7.8792 113.3101 58.2279 63.7627 173.8761 63 I 4.7672 7.4554 113.3942 58.9007 40.5044 174.5757 64 K 4.6269 8.7921 119.5867 53.9156 35.5580 175.8248 65 E 4.1366 8.6837 122.1882 58.3184 29.8029 176.7476 66 G 4.0746 8.9734 114.4808 45.4110 0.0000 174.0771 67 Q 4.1561 7.7633 118.0570 55.9217 30.2361 175.5280 68 V 4.5173 8.1929 121.6227 61.2524 33.8750 174.7247 69 V 4.7981 8.5094 120.7881 59.3503 35.9503 174.4233 70 K 4.7649 8.8905 125.6986 55.2783 33.8785 175.0464 71 I 4.9463 8.7794 128.8777 59.5764 39.7666 174.4348 72 E 5.0523 9.0403 126.5641 54.7888 32.8705 175.7871 73 N 4.1973 9.0200 121.1204 54.6805 37.9364 173.6807 74 A 4.7740 7.9486 119.1413 51.1607 20.7865 177.1249 75 W 5.8074 8.7085 114.9698 55.3699 32.0912 174.3465 76 T 5.2651 8.9987 110.8476 60.3386 71.6237 172.9150 77 T 5.0065 8.7237 112.0877 60.2656 73.0659 171.7792 78 A 5.3289 8.5724 122.2659 50.3840 21.6865 176.2732 79 F 4.7993 9.2811 122.8818 58.1815 42.6922 174.5793 80 K 3.3018 9.4383 127.8985 57.3367 29.5611 176.1200 81 G 3.9695 8.4203 105.7074 45.1023 0.0000 173.2466 82 Q 5.0455 7.7111 118.5304 53.5860 32.3116 175.2679 83 V 4.1998 8.4840 123.2229 63.1779 32.5588 175.1539 84 Q 4.7305 9.1587 126.6226 54.0612 31.5002 174.5700 85 L 4.8662 8.5958 125.7489 54.2156 44.4363 174.9650 86 N 5.2151 8.4613 120.4967 51.3099 43.0242 173.1033 87 A 4.8386 8.8566 124.8182 50.3247 21.8808 175.2239 88 G 4.3786 9.1921 113.4829 44.5521 0.0000 173.1606 89 S 4.1885 9.1138 113.1479 60.8273 63.0467 175.1236 90 K 4.4605 8.0238 117.3861 56.3313 32.4388 175.9874 91 T 4.7430 7.8953 116.7442 62.9308 69.6110 174.2901 92 K 4.7322 9.0140 124.9406 54.6873 34.9673 175.1958 93 I 5.0349 8.4693 124.3914 59.4795 39.8983 174.7207 94 A 4.8281 8.8310 127.7935 49.5995 22.7840 175.0352 95 E 4.3871 8.9339 119.3422 56.8376 30.2883 176.2747 96 A 4.7497 8.3845 125.1256 49.6432 22.5160 175.5616 97 S 4.1958 8.4306 113.3972 58.2246 62.6474 173.6262 98 E 4.1641 8.7638 128.1384 57.2380 29.8598 173.5831 99 D 4.6350 7.2544 118.1328 55.5852 40.1806 176.8196 100 G 3.9215 8.7025 109.5154 45.0748 0.0000 171.4782 101 F 3.9406 8.5797 122.9632 56.8980 39.8282 173.1861 102 P 4.2024 0.0000 0.0000 63.3453 31.5093 175.8951 103 E 4.4976 8.4861 120.4586 54.9740 31.1236 177.3969 104 S 4.1852 8.7321 114.4078 61.7413 62.7263 176.8761 105 S 4.2465 8.0684 113.6758 60.0669 62.9520 174.4746 106 Q 4.4275 8.0110 118.3542 55.5217 29.1755 175.0985 107 I 4.1836 7.2944 120.3217 58.9296 37.7039 174.1195 108 P 4.5039 0.0000 0.0000 62.8995 31.8244 175.9182 109 E 4.4270 8.3941 116.7709 56.4229 30.4432 176.6033 110 N 4.6770 8.0040 117.8490 53.1441 38.5225 173.9923 111 T 5.7220 8.4704 110.7640 58.0147 71.9698 171.7924 112 P 4.4383 0.0000 0.0000 63.4533 32.5410 174.9282 113 T 5.0035 8.3479 119.2676 61.4355 70.7809 174.1714 114 A 4.2219 8.5371 127.5772 50.8799 19.4567 176.0044 115 P 4.3538 0.0000 0.0000 63.1522 31.4284 176.5579 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 8.16 4.55 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 2 E 8.77 4.50 0.00 1.98 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 2.33 2.37 0.00 3 E 9.74 4.84 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 4 K 8.41 4.61 0.00 1.68 1.71 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.37 7.81 5 V 9.29 3.57 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 0.93 0.00 0.00 0.98 0.00 0.00 6 G 8.29 3.68 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 0.00 0.00 0.00 7 N 7.91 4.59 0.00 2.71 2.96 0.00 0.00 7.20 7.87 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 8 L 7.51 4.18 0.00 1.72 1.61 0.93 0.76 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 9 K 8.13 4.76 0.00 1.71 1.69 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.64 7.81 10 P 0.00 4.40 0.00 2.08 2.04 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 11 N 8.25 4.37 0.00 2.88 2.97 0.00 0.00 6.98 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 12 M 8.30 4.41 0.00 2.12 2.06 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 2.79 2.54 0.00 13 E 8.86 4.07 0.00 1.98 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 2.33 2.23 0.00 14 S 7.84 4.80 0.00 3.86 3.73 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 15 V 9.11 4.82 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 0.81 0.00 0.00 0.95 0.00 0.00 16 N 9.08 5.60 0.00 2.73 2.71 0.00 0.00 6.59 7.20 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 17 V 8.79 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 18 T 8.56 5.05 4.36 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 1.13 0.00 0.00 19 V 8.52 4.84 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 0.73 0.00 0.00 0.89 0.00 0.00 20 R 8.93 4.59 0.00 2.01 1.94 0.00 3.15 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 21 V 8.66 4.16 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 0.97 0.00 0.00 0.88 0.00 0.00 22 L 8.88 4.28 0.00 1.68 1.71 0.94 0.85 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 23 E 7.83 4.79 0.00 1.96 1.71 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 2.27 2.24 0.00 24 A 8.33 4.98 1.16 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 0.00 0.00 25 S 8.78 4.59 0.00 3.79 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 26 E 8.55 4.04 0.00 1.93 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 0.00 2.29 2.23 0.00 27 A 8.23 4.52 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 28 R 8.85 4.59 0.00 1.79 1.95 0.00 2.72 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 29 Q 8.52 4.96 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 30 I 8.54 4.73 1.85 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 1.14 1.02 0.81 0.00 0.00 31 Q 8.71 4.76 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 32 T 8.46 4.78 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 1.40 0.00 0.00 33 K 8.74 3.92 0.00 1.73 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.53 7.81 34 N 8.43 4.59 0.00 2.74 2.81 0.00 0.00 7.08 7.32 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 35 G 7.38 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 36 V 7.96 4.21 2.11 0.00 0.00 0.00 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 nan 0.00 0.00 37 R 8.97 4.91 0.00 2.04 2.06 0.00 3.46 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 38 T 8.50 4.97 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 39 I 8.69 5.08 1.26 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.08 -0.13 0.00 0.00 40 S 8.61 4.94 0.00 3.96 3.87 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 0.00 0.00 0.00 41 E 8.56 5.17 0.00 1.80 1.77 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 2.13 2.12 0.00 42 A 8.86 4.92 1.17 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 43 I 8.44 4.85 1.86 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 1.21 0.79 0.91 0.00 0.00 44 V 8.68 4.97 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 0.69 0.00 0.00 0.91 0.00 0.00 45 G 8.79 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.84 5.40 0.00 2.90 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 47 E 8.71 4.04 0.00 2.00 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 2.22 2.16 0.00 48 T 9.13 4.31 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 1.20 0.00 0.00 49 G 6.38 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 50 R 8.01 5.34 0.00 1.96 2.01 0.00 2.79 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 51 V 8.43 4.70 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 0.70 0.00 0.00 0.93 0.00 0.00 52 K 8.69 4.57 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 53 L 8.95 5.01 0.00 1.71 1.43 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.55 4.72 4.20 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 0.23 0.00 0.00 55 L 8.56 4.73 0.00 1.53 1.62 0.90 0.77 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 56 W 9.40 5.04 0.00 3.46 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.96 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 58 K 8.96 3.98 0.00 1.84 1.96 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.21 7.81 59 H 8.22 4.45 0.00 3.44 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.78 4.17 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 61 G 9.00 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 62 S 7.88 4.48 0.00 4.03 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 63 I 7.46 4.77 1.92 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 1.38 0.71 0.89 0.00 0.00 64 K 8.79 4.63 0.00 1.76 1.67 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.32 7.81 65 E 8.68 4.14 0.00 1.91 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 2.29 2.44 0.00 66 G 8.97 4.07 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 0.00 0.00 0.00 67 Q 7.76 4.16 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 68 V 8.19 4.52 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 0.37 0.00 0.00 0.71 0.00 0.00 69 V 8.51 4.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.85 0.00 0.00 70 K 8.89 4.76 0.00 1.83 1.65 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.45 7.81 71 I 8.78 4.95 1.85 0.00 0.00 0.81 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 0.83 0.88 0.00 0.00 72 E 9.04 5.05 0.00 1.87 1.82 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 2.22 2.22 0.00 73 N 9.02 4.20 0.00 2.88 3.07 0.00 0.00 7.18 7.25 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 74 A 7.95 4.77 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 75 W 8.71 5.81 0.00 3.55 3.35 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 76 T 9.00 5.27 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 1.23 0.00 0.00 77 T 8.72 5.01 4.38 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 1.49 0.00 0.00 78 A 8.57 5.33 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 79 F 9.28 4.80 0.00 3.03 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 80 K 9.44 3.30 0.00 1.40 1.53 0.00 1.20 0.00 0.00 1.39 0.00 0.00 2.45 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.76 0.21 7.81 81 G 8.42 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 82 Q 7.71 5.05 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 83 V 8.48 4.20 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 0.82 0.00 0.00 0.93 0.00 0.00 84 Q 9.16 4.73 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 85 L 8.60 4.87 0.00 1.73 1.54 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.46 5.22 0.00 1.44 1.42 0.00 0.00 6.75 7.72 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 87 A 8.86 4.84 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 88 G 9.19 4.38 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 0.00 89 S 9.11 4.19 0.00 4.02 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 90 K 8.02 4.46 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 91 T 7.90 4.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 92 K 9.01 4.73 0.00 1.70 1.71 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 93 I 8.47 5.03 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.88 0.00 0.00 94 A 8.83 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.93 4.39 0.00 1.84 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 2.25 0.00 96 A 8.38 4.75 1.09 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 0.00 0.00 97 S 8.43 4.20 0.00 3.86 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 98 E 8.76 4.16 0.00 2.03 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 2.41 2.39 0.00 99 D 7.25 4.63 0.00 2.79 2.71 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 0.00 100 G 8.70 3.92 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 0.00 0.00 0.00 101 F 8.58 3.94 0.00 2.97 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 0.00 102 P 0.00 4.20 0.00 2.11 1.90 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 103 E 8.49 4.50 0.00 2.07 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 2.41 2.33 0.00 104 S 8.73 4.19 0.00 4.01 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 0.00 105 S 8.07 4.25 0.00 4.00 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 0.00 106 Q 8.01 4.43 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 107 I 7.29 4.18 1.89 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 1.36 0.65 0.97 0.00 0.00 108 P 0.00 4.50 0.00 2.41 2.06 0.00 3.93 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 2.06 2.07 0.00 109 E 8.39 4.43 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 110 N 8.00 4.68 0.00 2.76 2.95 0.00 0.00 5.76 7.22 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 0.00 111 T 8.47 5.72 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 1.33 0.00 0.00 112 P 0.00 4.44 0.00 2.25 2.24 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 113 T 8.35 5.00 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 0.00 114 A 8.54 4.22 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 0.00 115 P 0.00 4.35 0.00 2.06 2.01 0.00 3.73 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 2.05 2.11 0.00