NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.3886 8.3044 120.3502 54.8788 33.2722 178.9155 4 D 4.3146 9.1231 114.2678 52.8558 43.3486 173.4940 5 T 4.1192 8.8743 117.6656 64.5373 69.0584 176.2635 6 A 4.0031 8.1577 123.6925 55.0288 18.5533 179.1925 7 Q 4.0439 7.8993 115.9225 58.2927 29.0205 178.2289 8 L 3.9630 8.3184 122.2717 57.7870 42.1385 178.4838 9 K 3.8558 8.1978 119.7784 60.0622 32.0841 178.8801 10 S 4.1729 7.8679 114.8474 61.3154 62.6464 176.5724 11 Q 4.0771 8.0406 122.3422 59.2605 28.8582 178.1594 12 I 3.7832 8.2644 121.2078 64.5320 37.2215 177.9418 13 Q 4.0289 8.2827 120.3468 59.4776 28.7312 178.3824 14 Q 3.9567 8.2994 120.2476 59.5653 28.9478 177.9197 15 Y 4.0193 8.4627 117.7080 60.9324 37.7721 178.6441 16 L 3.3579 8.1980 119.9995 57.6348 41.8337 179.7822 17 V 3.5149 7.7825 117.9406 66.0946 31.3230 177.7099 18 E 3.9687 8.2264 117.9392 58.5753 29.4896 177.8634 19 S 4.5941 7.7582 111.9842 58.0731 63.8998 175.0918 20 G 4.0168 8.1879 112.1393 46.0441 0.0000 175.5734 21 N 4.2671 7.7669 117.7305 56.2141 38.3057 176.5002 22 Y 3.7850 7.7060 120.8302 60.7505 38.9350 177.8215 23 E 3.9799 8.3334 119.6217 59.2457 29.6621 178.7426 24 L 3.9462 7.5726 119.0190 57.8031 41.9191 179.1975 25 I 3.5909 7.9282 120.0989 64.5774 37.0661 178.4422 26 S 3.9529 7.9516 115.8363 61.9000 62.7148 176.7563 27 N 4.3514 8.0768 118.8788 56.1300 38.1458 176.8346 28 E 4.0788 8.3376 119.9825 57.9483 29.6404 178.4247 29 L 3.8921 7.5823 120.5377 58.1835 42.3810 178.7283 30 K 3.8770 8.0467 118.2154 59.1900 31.9205 179.3174 31 A 3.9562 8.0419 121.0816 55.0614 18.3970 179.4680 32 R 3.7541 7.6342 117.1507 59.7307 30.1678 178.3137 33 L 3.9391 8.0164 118.9319 58.1331 41.1364 179.5257 34 L 4.0876 7.8068 119.3684 58.1942 41.8163 178.7659 35 Q 4.2604 7.9529 116.9013 57.2209 28.8104 176.8603 36 E 4.6831 8.0622 117.8494 55.9048 30.9446 176.9149 37 G 3.9547 7.8933 105.7574 46.7880 0.0000 176.0550 38 W 4.1242 8.3164 131.0224 60.2593 30.4981 178.0991 39 V 3.3946 8.0458 117.6183 66.2992 31.2855 177.5463 40 D 4.3059 8.1577 117.9222 57.3242 40.5253 179.0330 41 K 3.9342 7.9634 119.0725 59.2178 32.0286 179.5550 42 V 3.2711 7.4231 118.6271 65.4963 31.1867 178.0893 43 K 3.8201 8.0778 118.6620 59.5078 31.8888 178.4972 44 D 4.3250 7.7788 118.3905 57.5889 40.7739 178.7497 45 L 3.8637 7.8944 120.3610 58.7574 41.9476 179.2633 46 T 3.7827 8.0373 115.5134 66.5687 68.3610 176.8001 47 K 3.9442 8.1838 120.4496 59.5656 31.9235 179.5981 48 S 4.1114 8.4214 115.8072 61.7098 62.3669 176.6524 49 E 3.9755 8.4498 121.4903 59.6245 28.9083 179.3424 50 M 3.9170 7.9331 118.1836 58.1991 32.0949 178.2264 51 N 4.5180 8.0293 116.4642 55.8960 38.7643 177.3567 52 I 3.9632 7.4079 113.7407 62.6713 38.0005 175.9254 53 N 4.7740 7.0665 118.7914 51.0202 39.2543 174.7186 54 E 4.3317 8.7986 124.6130 57.4907 30.2334 176.7643 55 S 4.7040 7.8464 111.1539 58.1565 63.4191 174.1325 56 T 4.1611 7.5744 117.2827 63.3650 69.1551 174.8388 57 N 4.6038 8.7259 122.3497 52.9214 40.4842 176.4038 58 F 4.0764 8.7772 123.8002 61.9601 39.5362 177.4361 59 T 3.8765 8.1195 114.6817 66.9070 68.3422 176.4678 60 Q 3.9813 7.9818 119.2691 58.8917 28.8089 178.6096 61 I 3.6047 7.6822 120.8156 64.2929 37.1727 178.1628 62 L 3.6981 7.7633 121.4214 58.1705 41.5831 179.0097 63 S 4.0882 7.7131 112.0376 61.6404 62.3684 175.9784 64 T 4.0257 7.9786 118.5891 66.3593 68.0950 177.0412 65 V 3.6416 7.7933 120.2419 65.7891 31.5325 177.3197 66 E 3.9283 8.1564 118.0348 59.6820 29.3917 177.6007 67 P 4.2706 0.0000 0.0000 65.7928 31.2539 178.9797 68 K 4.0306 7.3417 116.6244 59.2696 32.3703 179.0215 69 A 4.1583 8.3675 121.4838 55.0145 18.1817 179.3587 70 L 4.0526 8.3061 119.0392 58.5387 41.9655 179.1264 71 E 4.1122 7.9967 116.6562 59.1130 29.4769 178.4850 72 M 4.4299 7.7961 116.7320 55.5328 32.3709 176.6755 73 V 3.6525 7.1969 120.8274 62.2322 32.1339 176.5565 74 S 4.4023 8.4718 122.2475 58.3852 65.0099 174.9792 75 D 4.3540 8.5449 122.7745 57.4510 40.7334 179.1749 76 S 4.1476 8.0009 114.4661 61.7438 62.8950 176.6027 77 T 3.8632 7.6575 119.3293 66.3548 68.1129 176.9627 78 R 3.8643 7.7171 120.2178 59.1869 30.0991 178.6657 79 E 3.9165 8.1792 119.1226 59.3903 29.4044 178.9807 80 T 3.7981 7.6231 115.3800 66.5782 68.5914 176.3104 81 V 3.4666 7.3425 119.9203 66.2942 31.5266 177.7650 82 L 3.9484 8.0348 119.7269 58.1168 41.8673 178.8920 83 K 4.0419 8.2243 119.5354 59.2056 32.1507 178.9270 84 Q 4.0532 7.8460 118.4936 58.7195 28.7737 178.4337 85 I 3.7535 7.8271 120.9386 64.4224 37.1488 178.4875 86 R 3.9571 8.0706 119.5758 59.4931 29.8026 178.4423 87 E 4.0595 8.2670 118.1995 59.0638 29.1463 178.9882 88 F 4.2366 7.9597 120.2034 60.8978 39.7641 177.0502 89 L 3.9695 7.8702 118.4510 57.4212 41.3524 178.9559 90 E 3.8915 8.0523 118.6545 59.7889 29.3156 179.4544 91 E 4.1550 7.5320 116.6360 58.9023 29.4413 179.1013 92 I 3.5425 7.2007 118.6814 63.3627 38.1038 176.6586 93 V 4.1366 7.5117 116.4276 62.0709 33.0531 175.0368 94 D 4.7123 8.2524 119.7432 52.1852 40.8928 175.3413 95 T 4.1026 7.9799 118.9897 63.2348 68.5558 174.8044 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 3 M 8.30 4.39 0.00 2.16 1.50 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 4 D 9.12 4.31 0.00 2.91 2.54 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 0.00 0.00 0.00 0.00 5 T 8.87 4.12 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 1.21 0.00 0.00 6 A 8.16 4.00 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 7 Q 7.90 4.04 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 8 L 8.32 3.96 0.00 1.82 1.66 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.20 3.86 0.00 1.98 2.02 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.54 7.81 10 S 7.87 4.17 0.00 4.06 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 11 Q 8.04 4.08 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.77 0.00 12 I 8.26 3.78 1.96 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 1.70 0.71 1.04 0.00 0.00 13 Q 8.28 4.03 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 14 Q 8.30 3.96 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 15 Y 8.46 4.02 0.00 3.55 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 16 L 8.20 3.36 0.00 1.96 1.75 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.78 3.51 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 0.89 0.00 0.00 0.57 0.00 0.00 18 E 8.23 3.97 0.00 1.91 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 2.25 0.00 19 S 7.76 4.59 0.00 4.17 4.28 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 20 G 8.19 4.02 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 0.00 0.00 0.00 21 N 7.77 4.27 0.00 2.33 2.63 0.00 0.00 6.49 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 22 Y 7.71 3.79 0.00 2.96 2.88 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 23 E 8.33 3.98 0.00 2.17 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 0.00 2.39 2.48 0.00 24 L 7.57 3.95 0.00 1.78 1.66 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.93 3.59 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.84 0.00 0.00 26 S 7.95 3.95 0.00 4.02 3.86 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 0.00 0.00 0.00 27 N 8.08 4.35 0.00 2.86 2.85 0.00 0.00 6.73 6.95 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 28 E 8.34 4.08 0.00 2.13 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 2.27 2.28 0.00 29 L 7.58 3.89 0.00 1.71 1.72 0.73 0.62 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 30 K 8.05 3.88 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.65 7.81 31 A 8.04 3.96 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 32 R 7.63 3.75 0.00 1.80 2.08 0.00 3.09 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 33 L 8.02 3.94 0.00 1.79 1.76 -0.06 0.10 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 34 L 7.81 4.09 0.00 2.06 1.90 0.99 0.63 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 35 Q 7.95 4.26 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 36 E 8.06 4.68 0.00 2.16 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 0.00 2.48 2.38 0.00 37 G 7.89 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 38 W 8.32 4.12 0.00 3.43 3.39 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 39 V 8.05 3.39 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 1.12 0.00 0.00 1.19 0.00 0.00 40 D 8.16 4.31 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 41 K 7.96 3.93 0.00 1.77 1.71 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.63 7.81 42 V 7.42 3.27 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 0.82 0.00 0.00 -0.55 0.00 0.00 43 K 8.08 3.82 0.00 1.96 1.79 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.59 7.81 44 D 7.78 4.33 0.00 2.85 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 45 L 7.89 3.86 0.00 1.72 1.71 0.87 0.66 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 46 T 8.04 3.78 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 1.15 0.00 0.00 47 K 8.18 3.94 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.55 7.81 48 S 8.42 4.11 0.00 3.94 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 49 E 8.45 3.98 0.00 2.05 1.95 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 2.52 2.44 0.00 50 M 7.93 3.92 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 51 N 8.03 4.52 0.00 2.81 2.86 0.00 0.00 7.06 7.07 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 52 I 7.41 3.96 1.86 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 1.79 0.51 0.94 0.00 0.00 53 N 7.07 4.77 0.00 2.70 2.79 0.00 0.00 7.05 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 54 E 8.80 4.33 0.00 1.92 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 2.26 2.29 0.00 55 S 7.85 4.70 0.00 4.01 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 56 T 7.57 4.16 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 1.23 0.00 0.00 57 N 8.73 4.60 0.00 2.95 2.90 0.00 0.00 6.65 8.19 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 58 F 8.78 4.08 0.00 3.15 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 59 T 8.12 3.88 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 1.24 0.00 0.00 60 Q 7.98 3.98 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 61 I 7.68 3.60 1.90 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 1.50 0.77 0.77 0.00 0.00 62 L 7.76 3.70 0.00 1.04 1.56 0.82 0.84 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 63 S 7.71 4.09 0.00 3.99 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 64 T 7.98 4.03 4.32 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 1.26 0.00 0.00 65 V 7.79 3.64 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 1.02 0.00 0.00 0.87 0.00 0.00 66 E 8.16 3.93 0.00 2.06 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 2.36 2.57 0.00 67 P 0.00 4.27 0.00 2.16 2.12 0.00 3.72 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 2.11 2.19 0.00 68 K 7.34 4.03 0.00 1.90 1.85 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 69 A 8.37 4.16 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 70 L 8.31 4.05 0.00 1.85 1.91 0.93 0.89 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 71 E 8.00 4.11 0.00 2.17 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 0.00 2.37 2.38 0.00 72 M 7.80 4.43 0.00 2.19 2.54 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 2.95 2.57 0.00 73 V 7.20 3.65 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 0.59 0.00 0.00 0.73 0.00 0.00 74 S 8.47 4.40 0.00 4.09 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 75 D 8.54 4.35 0.00 2.71 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 76 S 8.00 4.15 0.00 4.03 4.11 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 0.00 0.00 0.00 0.00 77 T 7.66 3.86 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 1.08 0.00 0.00 78 R 7.72 3.86 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 79 E 8.18 3.92 0.00 2.17 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 2.29 2.49 0.00 80 T 7.62 3.80 4.39 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 1.17 0.00 0.00 81 V 7.34 3.47 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 0.89 0.00 0.00 0.82 0.00 0.00 82 L 8.03 3.95 0.00 1.77 1.78 0.92 0.25 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 83 K 8.22 4.04 0.00 1.92 1.98 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 84 Q 7.85 4.05 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 85 I 7.83 3.75 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.96 0.00 0.00 86 R 8.07 3.96 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 87 E 8.27 4.06 0.00 2.34 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 2.34 2.52 0.00 88 F 7.96 4.24 0.00 3.05 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 89 L 7.87 3.97 0.00 1.99 1.66 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.05 3.89 0.00 2.21 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 2.48 2.50 0.00 91 E 7.53 4.16 0.00 1.74 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 0.00 2.31 2.43 0.00 92 I 7.20 3.54 1.59 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.19 0.76 0.00 0.00 93 V 7.51 4.14 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 0.71 0.00 0.00 0.89 0.00 0.00 94 D 8.25 4.71 0.00 2.51 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 95 T 7.98 4.10 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 1.19 0.00 0.00