NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2965 8.2649 123.5793 51.9907 19.9454 177.1523 2 C 4.4692 8.4063 117.8913 56.1210 41.2366 172.5232 3 D 4.2833 9.4696 124.6586 56.7062 42.4005 176.2249 4 Y 4.7736 8.4496 115.4997 56.3411 42.3529 174.8980 5 T 4.9573 8.6402 119.8278 62.2749 71.7293 174.0675 6 C 4.9419 9.4618 126.5746 55.6246 41.8038 176.7639 7 G 3.8309 8.6306 118.5438 46.9451 0.0000 174.3117 8 S 4.5263 9.0831 120.9648 58.5872 64.2469 173.8444 9 N 4.2740 8.2855 119.8599 52.8108 38.8475 172.8267 10 C 5.1191 8.2073 123.0657 55.1103 45.7693 172.2556 11 Y 5.3958 9.1117 124.2905 56.3053 41.5382 175.3199 12 S 5.1184 9.1017 117.3939 57.0458 65.7316 175.3451 13 S 4.3430 9.2340 117.2681 61.9304 62.4588 177.3885 14 S 4.2847 8.0881 116.4823 61.4220 62.9195 176.1779 15 D 4.3747 7.8524 122.4562 57.2286 40.6298 178.9096 16 V 3.4853 7.8943 119.0198 65.9287 31.5437 178.2456 17 S 4.1488 8.6564 114.3127 61.3083 62.8355 176.7562 18 T 3.8257 7.9712 119.5104 66.3956 68.1860 176.4744 19 A 4.1403 7.8533 122.3849 55.2737 18.3907 179.2541 20 Q 3.7339 8.1131 117.8050 59.4073 29.0772 178.5959 21 A 3.7847 7.9555 121.3101 54.8988 18.3396 179.4741 22 A 3.8039 7.6822 118.9791 55.0924 18.4873 180.0655 23 G 2.2840 7.0392 104.1395 47.5262 0.0000 175.1916 24 Y 3.4714 7.3149 122.6071 59.8219 38.5620 177.7453 25 K 3.6172 7.7051 120.5161 59.7818 32.2141 178.5856 26 L 3.8714 7.3348 118.3960 57.8115 41.4963 178.9123 27 H 3.9581 7.9000 118.4500 59.2182 29.5845 177.1871 28 E 3.6731 7.8700 117.9976 58.6703 29.2888 177.7353 29 D 4.6519 7.3497 117.7126 53.0051 41.2085 176.4181 30 G 3.8505 7.6191 107.2731 46.4334 0.0000 173.2102 31 E 4.8033 7.9562 119.1100 54.5796 31.8894 174.9676 32 T 5.3026 8.3209 119.0407 62.1677 73.0951 173.4927 33 V 4.5503 9.3600 122.3989 61.4186 35.5456 175.9191 34 G 4.5356 9.0346 106.5938 45.8990 0.0000 174.6908 35 S 4.1967 8.5655 114.4835 61.1297 62.8939 175.3656 36 N 4.5884 8.2887 114.9560 52.2361 38.6888 175.1357 37 S 3.7200 7.4395 113.2489 59.5015 60.4346 170.4658 38 Y 4.9943 8.9555 120.3108 55.4956 40.6213 173.7920 39 P 5.6609 0.0000 0.0000 63.1623 33.1676 174.5455 40 H 5.2090 8.8427 115.1454 53.6086 32.4369 172.3610 41 K 4.0666 8.9783 120.0955 57.5673 32.5685 174.9043 42 Y 4.6586 8.6049 127.9646 55.9512 39.9245 175.3619 43 N 4.1729 8.1784 124.5323 53.9096 39.5364 174.3999 44 N 3.8339 5.8941 115.4513 54.4576 36.9556 175.3655 45 Y 4.2708 7.5063 116.1965 61.0672 38.4859 178.1670 46 E 3.7418 8.0549 118.3801 57.5486 29.5138 177.8127 47 G 3.6952 7.6049 104.8642 45.7384 0.0000 173.5723 48 F 4.1483 7.5937 119.4152 58.5363 39.7631 176.1877 49 D 4.8445 8.0903 121.2216 51.8181 39.1032 178.2545 50 F 4.6119 7.3795 119.8672 58.6825 39.8045 176.4005 51 S 4.6298 8.8343 119.4649 58.9166 63.0412 174.2265 52 V 4.6552 7.5680 113.3696 59.1917 34.6688 175.3206 53 S 4.5083 8.4593 116.6814 57.4686 63.9538 174.2481 54 S 3.0081 7.9804 117.5045 56.6874 63.6627 171.6537 55 P 4.1208 0.0000 0.0000 62.8466 32.6614 174.6964 56 Y 5.0337 7.8069 116.9869 56.5054 41.6829 174.3583 57 Y 5.1829 8.7091 119.0364 56.1043 42.3707 174.1361 58 E 5.0271 9.2737 121.0329 54.4375 32.6281 174.7053 59 W 5.2234 8.8069 131.5201 55.0790 34.5837 172.3096 60 P 4.3038 0.0000 0.0000 62.3264 31.4118 175.3349 61 I 4.3480 7.7477 123.6741 59.0431 40.1554 174.5627 62 L 4.8343 8.2786 128.7476 52.6142 43.7190 177.7259 63 S 4.2650 8.9033 117.7783 61.0015 63.0316 175.7034 64 S 4.1687 8.0443 114.8192 59.5608 63.1015 175.2045 65 G 3.9996 8.4453 109.3350 45.1957 0.0000 173.2482 66 D 4.6733 7.5817 119.0754 53.5302 41.8168 175.7564 67 V 4.2260 7.9752 120.3225 61.4301 32.6350 175.1520 68 Y 4.1379 8.7972 127.9133 58.4179 38.8147 175.8108 69 S 4.4659 8.1419 118.5565 57.2674 64.1090 173.2605 70 G 3.4061 5.6177 110.5133 45.4907 0.0000 174.3649 71 G 4.4053 6.9495 113.7093 45.1568 0.0000 175.0425 72 S 4.3372 8.7186 120.5904 57.5503 62.7306 172.2102 73 P 4.0057 0.0000 0.0000 62.5323 31.9942 177.4242 74 G 3.7795 7.4146 107.2297 45.1042 0.0000 172.5450 75 A 4.6889 8.3636 118.1290 51.9867 21.1073 176.6476 76 D 5.3448 7.9178 115.6263 52.9333 43.5954 175.8162 77 R 4.7758 8.6534 119.7186 54.6059 35.1536 174.1687 78 V 4.3045 8.9738 123.1056 61.4196 33.8454 174.6005 79 V 4.7907 8.5095 127.4706 60.9412 33.8839 174.3096 80 F 5.5936 8.5773 122.0951 55.3250 42.2004 173.3324 81 N 5.5598 8.6091 116.6812 50.3011 39.9114 174.9252 82 E 4.2795 9.1854 118.2943 59.2046 29.7850 177.2494 83 N 4.7670 8.4692 113.8594 52.3786 38.7860 173.9069 84 N 3.7482 8.0033 115.2908 54.6733 37.8493 173.7584 85 Q 4.5373 8.4424 115.2953 53.3342 30.8459 175.2914 86 L 4.2429 8.3691 124.1496 55.0886 42.7233 176.2695 87 A 3.9361 8.7367 130.0276 52.6772 19.3323 176.9330 88 G 3.7145 6.0646 100.3253 46.3974 0.0000 171.1694 89 V 4.6947 7.3572 119.0234 60.8374 34.0781 174.6347 90 I 4.9062 8.0936 120.4978 59.5642 41.4386 173.9461 91 T 5.2203 8.9815 115.8123 61.5206 70.7576 174.0973 92 H 4.6329 9.0903 122.3035 56.9629 29.2991 175.9997 93 T 4.0783 7.6939 117.5540 64.9472 68.3629 174.6522 94 G 3.9313 9.1925 113.9940 45.2824 0.0000 172.5214 95 A 4.8261 7.7075 121.8510 49.7644 21.7842 176.7836 96 S 4.3944 8.5703 116.1765 58.8706 65.1671 175.0158 97 G 3.6879 8.0972 111.0739 47.5909 0.0000 173.9908 98 N 4.5712 8.7020 119.4464 52.7190 38.9404 174.4052 99 N 4.8937 7.8928 117.1096 52.7606 39.8055 173.7001 100 F 5.4966 9.1109 117.2393 56.1872 42.9958 175.1719 101 V 5.0306 8.9963 112.4855 59.7811 35.9952 175.1650 102 E 4.3633 8.7332 121.7628 56.2565 30.4474 177.0533 103 C 4.7933 8.9222 121.2471 56.5069 41.4856 174.1611 104 T 4.1703 8.3964 112.5550 61.8672 68.6323 174.5422 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 A 8.26 4.30 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 2 C 8.41 4.47 0.00 3.04 3.21 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 3 D 9.47 4.28 0.00 2.67 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 0.00 0.00 0.00 0.00 4 Y 8.45 4.77 0.00 3.03 2.89 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 5 T 8.64 4.96 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 6 C 9.46 4.94 0.00 3.10 3.21 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 7 G 8.63 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 0.00 0.00 0.00 8 S 9.08 4.53 0.00 3.84 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 9 N 8.29 4.27 0.00 2.76 2.17 0.00 0.00 6.33 8.10 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 10 C 8.21 5.12 0.00 2.85 2.82 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 11 Y 9.11 5.40 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.10 5.12 0.00 3.96 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 13 S 9.23 4.34 0.00 3.93 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 14 S 8.09 4.28 0.00 4.07 4.14 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 15 D 7.85 4.37 0.00 3.01 2.86 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 16 V 7.89 3.49 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 0.84 0.00 0.00 nan 0.00 0.00 17 S 8.66 4.15 0.00 3.99 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 18 T 7.97 3.83 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 1.23 0.00 0.00 19 A 7.85 4.14 1.42 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 0.00 0.00 0.00 20 Q 8.11 3.73 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 21 A 7.96 3.78 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 22 A 7.68 3.80 1.26 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 0.00 0.00 0.00 23 G 7.04 2.28 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 0.00 24 Y 7.31 3.47 0.00 2.27 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 25 K 7.71 3.62 0.00 1.80 1.78 0.00 1.51 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.43 7.81 26 L 7.33 3.87 0.00 1.53 1.86 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.90 3.96 0.00 3.14 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.87 3.67 0.00 1.88 1.59 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 1.94 2.27 0.00 29 D 7.35 4.65 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 3.85 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 0.00 0.00 0.00 31 E 7.96 4.80 0.00 1.95 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 0.00 2.24 2.34 0.00 32 T 8.32 5.30 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 1.29 0.00 0.00 33 V 9.36 4.55 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 1.20 0.00 0.00 1.00 0.00 0.00 34 G 9.03 4.54 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 0.00 0.00 0.00 35 S 8.57 4.20 0.00 3.95 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 36 N 8.29 4.59 0.00 2.67 2.56 0.00 0.00 7.04 7.57 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 37 S 7.44 3.72 0.00 3.99 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 38 Y 8.96 4.99 0.00 2.92 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 39 P 0.00 5.66 0.00 2.30 2.55 0.00 4.09 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 40 H 8.84 5.21 0.00 3.22 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.98 4.07 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.18 7.81 42 Y 8.60 4.66 0.00 2.85 2.83 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 43 N 8.18 4.17 0.00 1.84 2.78 0.00 0.00 7.13 8.00 0.00 0.00 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 5.89 3.83 0.00 3.08 2.86 0.00 0.00 7.24 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 45 Y 7.51 4.27 0.00 2.87 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 46 E 8.05 3.74 0.00 1.16 1.12 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 2.55 2.33 0.00 47 G 7.60 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.59 4.15 0.00 1.91 2.32 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 49 D 8.09 4.84 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.38 4.61 0.00 3.00 2.84 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 0.00 0.00 0.00 0.00 51 S 8.83 4.63 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.57 4.66 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 0.82 0.00 0.00 1.08 0.00 0.00 53 S 8.46 4.51 0.00 3.96 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 54 S 7.98 3.01 0.00 3.29 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 55 P 0.00 4.12 0.00 1.69 1.97 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 56 Y 7.81 5.03 0.00 3.17 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 57 Y 8.71 5.18 0.00 1.71 2.50 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 58 E 9.27 5.03 0.00 1.83 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 2.50 2.37 0.00 59 W 8.81 5.22 0.00 3.69 3.11 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 60 P 0.00 4.30 0.00 0.84 1.20 0.00 2.20 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.75 4.35 1.60 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.65 0.30 0.00 0.00 62 L 8.28 4.83 0.00 1.78 1.58 1.05 0.83 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 63 S 8.90 4.27 0.00 3.92 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 64 S 8.04 4.17 0.00 4.03 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 65 G 8.45 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 0.00 0.00 0.00 66 D 7.58 4.67 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.23 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 1.03 0.00 0.00 1.02 0.00 0.00 68 Y 8.80 4.14 0.00 2.46 2.22 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 69 S 8.14 4.47 0.00 3.88 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 70 G 5.62 3.41 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 0.00 71 G 6.95 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 0.00 0.00 0.00 0.00 72 S 8.72 4.34 0.00 3.89 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 73 P 0.00 4.01 0.00 1.74 1.31 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 74 G 7.41 3.78 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 0.00 0.00 0.00 75 A 8.36 4.69 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 76 D 7.92 5.34 0.00 2.78 2.57 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 77 R 8.65 4.78 0.00 1.29 1.48 0.00 3.10 0.00 0.00 2.70 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 78 V 8.97 4.30 2.15 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 0.85 0.00 0.00 0.72 0.00 0.00 79 V 8.51 4.79 1.51 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 0.60 0.00 0.00 0.22 0.00 0.00 80 F 8.58 5.59 0.00 3.12 3.06 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 81 N 8.61 5.56 0.00 3.10 3.18 0.00 0.00 6.53 7.49 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 82 E 9.19 4.28 0.00 2.09 2.15 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 2.42 2.56 0.00 83 N 8.47 4.77 0.00 2.89 2.80 0.00 0.00 6.86 8.00 0.00 0.00 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 N 8.00 3.75 0.00 1.44 2.21 0.00 0.00 6.98 6.59 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 85 Q 8.44 4.54 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 86 L 8.37 4.24 0.00 1.52 1.54 0.82 0.96 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 87 A 8.74 3.94 0.32 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 88 G 6.06 3.71 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 0.00 0.00 0.00 89 V 7.36 4.69 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 0.74 0.00 0.00 -0.08 0.00 0.00 90 I 8.09 4.91 1.69 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.13 0.37 0.00 0.00 91 T 8.98 5.22 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 1.37 0.00 0.00 92 H 9.09 4.63 0.00 3.22 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.69 4.08 4.29 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 1.24 0.00 0.00 94 G 9.19 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 95 A 7.71 4.83 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 96 S 8.57 4.39 0.00 4.01 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 97 G 8.10 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 0.00 0.00 0.00 98 N 8.70 4.57 0.00 2.65 2.66 0.00 0.00 6.78 8.00 0.00 0.00 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 N 7.89 4.89 0.00 2.81 2.92 0.00 0.00 6.81 8.06 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 0.00 100 F 9.11 5.50 0.00 3.26 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 0.00 101 V 9.00 5.03 2.21 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 0.89 0.00 0.00 1.15 0.00 0.00 102 E 8.73 4.36 0.00 1.74 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 1.47 1.47 0.00 103 C 8.92 4.79 0.00 2.99 3.16 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 0.00 104 T 8.40 4.17 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 1.24 0.00 0.00