NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4677 8.2893 120.3314 54.9339 33.0969 175.6930 4 S 4.2349 8.4063 119.5246 57.6197 65.1899 173.3385 5 D 4.3939 9.3958 122.9638 57.5725 40.8315 180.4040 6 L 4.0766 7.8719 119.0184 57.6138 41.7646 179.4321 7 V 3.6726 7.6496 118.2664 66.3655 31.2912 178.0809 8 T 3.8848 7.8254 114.1767 66.6354 68.6313 176.1014 9 K 4.0777 8.1829 121.3895 59.3282 32.2324 178.5716 10 F 4.2001 8.4974 121.0850 61.4585 39.2387 176.7080 11 E 4.2791 8.4406 116.9076 57.3931 29.2943 178.4486 12 S 4.2792 7.6750 113.7476 58.6763 64.0245 174.0198 13 L 4.4865 7.1127 123.6904 53.0645 42.9279 177.6588 14 I 3.7650 8.0064 114.9374 62.9975 38.3520 177.9562 15 I 2.8031 7.4754 121.9274 63.5488 38.1816 177.5046 16 S 3.7814 7.3028 114.6807 59.8929 62.6803 175.4804 17 K 4.2897 7.6964 119.4380 56.5826 32.5426 176.1093 18 Y 4.0075 7.7536 117.5267 57.2804 37.7685 174.5155 19 P 4.4775 0.0000 0.0000 62.5831 32.2346 176.3106 20 V 4.3751 7.9477 119.3344 60.4999 34.0647 174.3270 21 S 4.5603 8.5785 120.6809 56.5005 62.9842 173.9817 22 F 4.7023 8.5512 125.3011 57.3355 39.4119 176.3842 23 T 4.2191 8.4862 115.9092 61.4132 70.7839 175.3927 24 K 4.0907 8.5063 120.0259 59.6323 32.6476 179.1554 25 E 3.8957 8.0703 119.7397 59.6314 29.5695 179.0309 26 Q 4.0100 7.8677 119.3188 58.4021 28.6402 178.9872 27 S 4.2063 8.2215 116.0542 61.6390 62.7722 176.6916 28 A 4.0321 7.8773 123.2405 55.1203 17.9478 179.6952 29 Q 3.9432 8.1790 116.4554 59.0277 28.7553 178.9378 30 A 4.2080 8.1133 121.6038 55.1383 18.4892 179.5168 31 A 3.9866 8.1105 119.3828 55.2725 18.4153 179.6404 32 Q 3.7266 8.3325 118.3252 59.2150 29.0515 178.6262 33 W 4.1782 8.0549 119.4875 59.1280 29.0431 178.2746 34 E 3.9841 8.3341 119.7431 59.4634 29.1606 178.7279 35 S 4.0978 8.0790 113.0807 61.4333 62.3825 176.3643 36 V 3.5093 7.6991 120.8671 65.8166 31.2421 177.9332 37 L 4.0585 8.3279 119.0331 58.0588 41.3801 179.8471 38 K 4.0919 8.3967 117.6868 59.1241 32.1473 178.5593 39 S 4.2526 7.8322 111.4307 58.8317 63.3446 174.8918 40 G 3.8895 8.0886 109.3660 46.5728 0.0000 173.8125 41 Q 4.6807 7.9688 115.7811 55.3881 29.3707 177.0054 42 I 4.0102 8.0743 121.9413 64.8005 37.2052 178.1799 43 Q 3.9684 8.3451 120.8874 58.6274 28.9276 176.2164 44 P 4.4495 0.0000 0.0000 64.9407 31.5171 176.2186 45 H 4.9456 8.3012 116.4236 55.7585 29.3074 176.2983 46 L 4.1190 7.8038 122.3992 58.1111 41.3180 179.1320 47 D 4.6236 8.2157 118.3637 57.0295 40.7601 178.4447 48 Q 4.0328 8.1442 120.0885 58.8840 29.2144 177.6155 49 L 3.8462 8.4006 121.5379 58.2646 41.9452 178.2684 50 N 4.2786 8.3691 115.9887 56.7114 39.0666 176.2810 51 L 4.0588 7.9708 121.4973 58.0747 42.2997 178.7098 52 V 3.5530 7.9161 118.4129 66.3314 31.2244 177.7564 53 L 4.5402 7.5774 116.9346 55.8202 41.5287 178.8150 54 R 3.5647 7.5379 118.9694 58.6717 30.1063 176.5899 55 D 4.7572 7.8290 114.9067 53.9672 42.7633 175.8306 56 N 4.9959 7.8048 116.9680 51.2585 41.8453 175.5609 57 T 3.5224 8.5917 119.4317 65.8448 69.0393 174.2599 58 F 5.0110 7.4374 117.5379 55.0535 42.8766 176.0388 59 I 3.4111 9.1387 123.4451 64.5132 36.7339 178.1331 60 V 4.0655 7.6565 117.2677 63.0018 31.8174 175.2274 61 S 3.8698 7.8033 109.9096 59.8502 60.3874 171.6957 62 T 4.7544 7.7050 107.5587 59.5976 71.7458 173.7742 63 L 4.0771 8.1626 123.1699 56.5099 42.4560 176.2466 64 Y 4.7419 7.1348 114.7664 54.7453 40.9657 173.5004 65 P 3.6243 0.0000 0.0000 62.8478 31.9237 175.6493 66 T 4.7961 8.6936 111.4503 59.4103 71.5573 175.1311 67 S 3.8760 8.5857 115.4240 61.6761 62.7004 176.2989 68 T 3.9555 8.0762 118.9843 66.8167 68.1697 175.8149 69 D 4.6782 7.9360 120.3364 57.5272 40.8660 179.1884 70 V 3.4814 7.3999 118.1336 66.1716 31.3405 177.5760 71 H 4.3102 8.3248 116.2902 59.0844 28.4986 178.0222 72 V 3.8847 8.2031 120.0466 65.8812 31.3250 177.8683 73 F 4.3294 8.8492 120.7504 61.1266 38.9085 176.5272 74 E 3.7497 8.1492 118.3862 59.2869 29.2074 178.7092 75 V 3.9468 7.4161 111.3572 63.1694 32.0775 178.3186 76 A 3.8391 8.3346 121.1748 54.5492 18.1525 179.3371 77 L 3.6869 7.6933 119.1047 57.9010 42.1245 177.2599 78 P 4.1583 0.0000 0.0000 65.6022 31.2456 178.5335 79 L 3.9152 7.3645 117.1252 58.0280 41.6077 179.7579 80 I 3.5723 7.7404 119.6558 63.9910 36.9162 178.3681 81 K 3.9060 8.2569 120.8496 59.5702 32.1241 178.3634 82 D 4.2958 8.0949 118.2264 57.3467 40.9507 178.0195 83 L 4.0072 7.7456 118.3985 57.9003 41.7756 179.4840 84 V 3.8177 8.0572 117.8319 65.8791 31.3565 178.0266 85 A 4.0836 8.3392 120.1174 54.3488 18.2849 178.6811 86 S 4.5097 7.5915 109.6091 57.5624 64.1074 174.5260 87 S 4.2718 7.3270 117.9997 58.5125 62.6287 173.7915 88 K 4.3952 8.4814 124.9895 56.7916 32.6750 177.3954 89 D 4.6827 7.8475 119.1536 52.0845 42.4746 175.4931 90 V 3.5124 7.7603 123.0962 64.7477 31.8745 176.8890 91 K 3.7975 7.7731 119.3406 59.5720 32.0284 178.7530 92 S 4.1266 8.0951 114.8887 61.8373 62.8125 176.5201 93 T 3.9623 7.7517 117.9529 67.0490 67.8521 176.1086 94 Y 4.4365 8.3130 118.6061 61.5209 37.6348 179.0957 95 T 3.9162 7.7228 115.5192 67.0121 68.7035 176.5159 96 T 3.8543 7.8815 116.4980 65.7874 68.7951 174.9455 97 Y 4.8839 7.7727 118.2855 57.2713 39.1901 178.1205 98 R 3.9930 8.0721 123.0796 59.3625 30.2638 176.7754 99 H 4.4458 7.9136 115.1481 58.4023 29.0081 177.6263 100 I 3.8632 7.7860 121.3613 64.3994 37.0296 178.2557 101 L 4.1495 8.0933 119.9497 57.5704 41.4732 179.4635 102 R 3.8877 7.9291 118.3000 59.1802 29.9643 178.4217 103 W 4.1377 8.2144 127.7955 60.5510 30.7765 177.7183 104 I 3.5796 8.5617 120.1935 64.5222 36.5618 177.6524 105 D 4.2876 8.1193 118.5318 57.5419 40.9481 177.6638 106 Y 3.9592 7.7690 119.2064 61.1649 38.8591 178.0938 107 M 3.5367 7.9750 119.9986 58.0546 31.7557 178.8100 108 Q 3.9948 8.2190 118.1680 58.9929 28.9721 178.3617 109 N 4.1881 7.7570 118.2834 55.9347 38.3658 177.0439 110 L 3.6404 7.3874 121.2280 57.9201 42.1255 177.5883 111 L 4.2841 7.6791 115.1280 53.7517 42.0350 176.4744 112 E 3.7050 7.5668 117.2055 57.2956 27.3945 175.5985 113 V 3.7869 7.8152 117.4295 62.3571 32.9439 176.3545 114 S 4.3563 8.4198 121.1874 58.5071 64.7512 175.7258 115 S 4.2098 8.5182 119.2598 61.7208 62.6788 176.7314 116 T 4.0541 7.8650 111.6970 64.2673 68.8195 175.5799 117 D 4.6527 7.5168 118.9529 53.9500 41.6077 176.8524 118 K 4.1931 7.5550 118.5598 55.9862 33.6609 176.0897 119 L 4.3147 8.7199 124.2590 53.6260 41.7545 176.4866 120 E 3.9808 8.7854 123.2523 56.3692 29.7637 173.0861 121 I 4.5159 8.1261 124.3581 58.6514 40.0548 175.0811 122 N 4.6408 8.2692 120.5496 53.6373 39.5418 174.5273 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 8.29 4.47 0.00 2.06 2.13 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 2.54 2.59 0.00 4 S 8.41 4.23 0.00 4.24 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 5 D 9.40 4.39 0.00 2.76 2.78 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 6 L 7.87 4.08 0.00 1.75 1.79 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.65 3.67 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 1.14 0.00 0.00 1.02 0.00 0.00 8 T 7.83 3.88 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 1.22 0.00 0.00 9 K 8.18 4.08 0.00 1.97 2.02 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.50 7.81 10 F 8.50 4.20 0.00 3.14 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 11 E 8.44 4.28 0.00 1.98 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 2.31 2.25 0.00 12 S 7.67 4.28 0.00 4.01 4.09 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 13 L 7.11 4.49 0.00 1.58 1.44 0.92 0.44 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 14 I 8.01 3.76 1.93 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 1.27 0.79 0.89 0.00 0.00 15 I 7.48 2.80 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.34 0.71 0.00 0.00 16 S 7.30 3.78 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.29 0.00 1.97 1.89 0.00 1.50 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 18 Y 7.75 4.01 0.00 2.82 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 19 P 0.00 4.48 0.00 2.15 2.01 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 20 V 7.95 4.38 2.24 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 0.64 0.00 0.00 1.16 0.00 0.00 21 S 8.58 4.56 0.00 3.92 3.91 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 22 F 8.55 4.70 0.00 3.03 2.87 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 23 T 8.49 4.22 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 24 K 8.51 4.09 0.00 2.03 2.14 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 25 E 8.07 3.90 0.00 2.05 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 2.39 2.45 0.00 26 Q 7.87 4.01 0.00 1.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 27 S 8.22 4.21 0.00 4.08 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 28 A 7.88 4.03 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 29 Q 8.18 3.94 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 30 A 8.11 4.21 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 31 A 8.11 3.99 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 32 Q 8.33 3.73 0.00 1.97 2.20 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 1.35 1.89 0.00 33 W 8.05 4.18 0.00 3.55 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.98 0.00 2.25 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 0.00 2.35 2.40 0.00 35 S 8.08 4.10 0.00 3.90 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 36 V 7.70 3.51 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 0.99 0.00 0.00 0.38 0.00 0.00 37 L 8.33 4.06 0.00 2.09 1.76 1.05 0.92 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 38 K 8.40 4.09 0.00 1.79 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.54 7.81 39 S 7.83 4.25 0.00 3.98 4.01 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 40 G 8.09 3.89 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 0.00 0.00 0.00 41 Q 7.97 4.68 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 42 I 8.07 4.01 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 1.01 0.00 0.00 43 Q 8.35 3.97 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 44 P 0.00 4.45 0.00 2.10 2.14 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 2.13 2.07 0.00 45 H 8.30 4.95 0.00 3.53 3.41 0.00 5.62 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 46 L 7.80 4.12 0.00 2.03 1.92 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.22 4.62 0.00 2.74 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 48 Q 8.14 4.03 0.00 2.27 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 49 L 8.40 3.85 0.00 1.78 1.81 -0.18 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.37 4.28 0.00 2.97 3.09 0.00 0.00 7.26 7.47 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 51 L 7.97 4.06 0.00 1.92 1.82 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.92 3.55 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 0.90 0.00 0.00 1.17 0.00 0.00 53 L 7.58 4.54 0.00 1.50 1.53 -0.06 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.54 3.56 0.00 1.69 1.98 0.00 3.18 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 1.48 1.33 0.00 55 D 7.83 4.76 0.00 2.63 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 56 N 7.80 5.00 0.00 2.69 2.70 0.00 0.00 6.85 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 57 T 8.59 3.52 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 0.64 0.00 0.00 58 F 7.44 5.01 0.00 3.28 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 59 I 9.14 3.41 1.72 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.13 0.29 0.00 0.00 60 V 7.66 4.07 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 0.23 0.00 0.00 0.95 0.00 0.00 61 S 7.80 3.87 0.00 4.05 3.91 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 62 T 7.70 4.75 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 1.52 0.00 0.00 63 L 8.16 4.08 0.00 1.22 0.33 0.83 0.68 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 64 Y 7.13 4.74 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.62 0.00 1.99 1.67 0.00 3.58 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 66 T 8.69 4.80 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 1.47 0.00 0.00 67 S 8.59 3.88 0.00 3.99 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 0.00 68 T 8.08 3.96 4.33 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 1.28 0.00 0.00 69 D 7.94 4.68 0.00 2.79 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 70 V 7.40 3.48 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 1.00 0.00 0.00 -0.16 0.00 0.00 71 H 8.32 4.31 0.00 3.42 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.20 3.88 2.20 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 0.96 0.00 0.00 0.98 0.00 0.00 73 F 8.85 4.33 0.00 2.71 3.13 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 74 E 8.15 3.75 0.00 2.25 2.20 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 2.34 2.35 0.00 75 V 7.42 3.95 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 0.89 0.00 0.00 1.03 0.00 0.00 76 A 8.33 3.84 1.57 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 77 L 7.69 3.69 0.00 0.85 1.13 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.16 0.00 2.14 2.04 0.00 3.57 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 79 L 7.36 3.92 0.00 1.65 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.74 3.57 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.88 0.00 0.00 81 K 8.26 3.91 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 82 D 8.09 4.30 0.00 2.98 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 83 L 7.75 4.01 0.00 1.77 1.74 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.06 3.82 2.29 0.00 0.00 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 0.00 0.00 1.19 0.00 0.00 85 A 8.34 4.08 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 86 S 7.59 4.51 0.00 4.07 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 87 S 7.33 4.27 0.00 4.01 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 88 K 8.48 4.40 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.35 7.81 89 D 7.85 4.68 0.00 2.62 2.46 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 90 V 7.76 3.51 1.80 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 0.24 0.00 0.00 0.86 0.00 0.00 91 K 7.77 3.80 0.00 1.79 1.74 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.55 7.81 92 S 8.10 4.13 0.00 3.98 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 93 T 7.75 3.96 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 1.49 0.00 0.00 94 Y 8.31 4.44 0.00 3.22 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 95 T 7.72 3.92 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 1.19 0.00 0.00 96 T 7.88 3.85 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 0.48 0.00 0.00 97 Y 7.77 4.88 0.00 3.16 2.92 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 98 R 8.07 3.99 0.00 2.03 1.64 0.00 3.18 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 99 H 7.91 4.45 0.00 3.32 3.35 0.00 5.68 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 0.00 100 I 7.79 3.86 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.61 1.12 0.00 0.00 101 L 8.09 4.15 0.00 1.85 1.61 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.93 3.89 0.00 1.92 2.16 0.00 3.03 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 103 W 8.21 4.14 0.00 3.33 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 0.00 104 I 8.56 3.58 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 1.01 0.00 0.00 105 D 8.12 4.29 0.00 2.92 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 0.00 106 Y 7.77 3.96 0.00 3.12 3.04 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 0.00 107 M 7.97 3.54 0.00 0.51 0.67 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.12 0.00 108 Q 8.22 3.99 0.00 2.32 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 109 N 7.76 4.19 0.00 2.68 2.74 0.00 0.00 6.53 7.88 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 0.00 110 L 7.39 3.64 0.00 0.79 1.40 0.78 1.11 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 0.00 111 L 7.68 4.28 0.00 1.65 1.66 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.57 3.71 0.00 2.06 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 2.21 2.29 0.00 113 V 7.82 3.79 2.14 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 0.81 0.00 0.00 1.08 0.00 0.00 114 S 8.42 4.36 0.00 4.08 3.98 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 0.00 115 S 8.52 4.21 0.00 3.86 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 0.00 116 T 7.86 4.05 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 1.21 0.00 0.00 117 D 7.52 4.65 0.00 2.68 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 0.00 118 K 7.56 4.19 0.00 2.09 1.98 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.38 7.81 119 L 8.72 4.31 0.00 1.60 1.79 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.79 3.98 0.00 2.03 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 2.23 1.87 0.00 121 I 8.13 4.52 1.86 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 1.36 1.05 0.91 0.00 0.00 122 N 8.27 4.64 0.00 2.96 2.82 0.00 0.00 6.80 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