NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6868 8.2516 120.4148 54.9070 34.2381 175.2017 2 E 4.0894 8.1043 119.4680 56.7402 31.0076 173.7742 3 Q 5.1487 8.7198 122.7497 54.4726 33.1091 173.8962 4 T 4.7720 9.2016 116.3795 60.3589 71.9906 171.8211 5 F 5.4075 8.6973 126.7482 56.6226 41.6854 174.1912 6 I 4.6026 7.7901 126.3245 59.4443 40.6577 174.1064 7 M 4.7958 8.3148 125.8627 53.5776 35.6568 173.9618 8 I 4.4179 8.6683 127.6140 60.2955 38.6750 176.0688 9 K 4.3334 9.1832 127.4717 55.2862 33.2923 176.5026 10 P 4.4641 0.0000 0.0000 65.4606 31.1257 178.6447 11 D 4.5491 8.3044 117.2789 56.3512 39.4126 178.5565 12 G 3.6622 8.1118 107.2477 47.5945 0.0000 175.9008 13 V 3.5953 7.6515 119.9992 65.9351 31.5013 178.1016 14 Q 4.1083 8.0711 116.6666 58.4520 28.5196 177.8019 15 R 4.4625 8.2759 117.6387 54.7309 30.7745 176.5010 16 G 3.9576 7.6756 105.7937 47.0489 0.0000 175.0319 17 L 4.3421 7.7927 115.8357 54.0671 42.3850 177.8950 18 I 3.7662 7.5927 121.6174 64.5091 37.1420 178.1601 19 G 3.6893 8.0338 105.7667 47.8726 0.0000 174.8481 20 E 3.9473 8.0729 120.2147 58.9243 29.7991 178.5516 21 V 3.8242 7.8974 118.1137 66.4073 31.6476 178.0645 22 I 4.0562 7.8383 118.9785 64.6783 36.8892 178.2835 23 C 4.2407 8.1238 117.7338 62.7238 27.9535 176.1627 24 R 3.7906 7.7556 119.7331 59.5060 29.5771 179.2682 25 F 3.7822 7.9036 116.7648 60.0860 38.7464 177.6421 26 E 4.2272 8.4032 118.4969 59.5079 29.1629 179.3957 27 K 3.9600 8.2645 117.5972 59.3598 32.1649 179.0779 28 K 3.8324 7.5935 118.9604 57.7747 32.0373 177.5393 29 G 3.9620 7.4897 105.5417 44.7946 0.0000 173.5024 30 F 5.1179 7.4028 118.2721 57.7050 40.3525 174.8136 31 T 4.8129 9.2515 117.4341 61.7434 70.7129 173.7363 32 L 3.4365 8.8722 129.2772 54.5912 42.4939 176.2772 33 K 4.7490 8.7043 125.0167 55.8284 34.1171 175.8681 34 G 3.8641 7.0309 105.2184 45.2254 0.0000 172.5482 35 L 5.5632 8.5640 122.2860 54.9261 45.0905 173.7298 36 K 4.3915 8.2914 121.7652 56.1459 35.4311 173.3484 37 L 4.9940 8.6409 125.3045 54.0376 42.9825 175.4754 38 I 4.6886 9.0681 119.1843 59.7677 41.4912 173.6544 39 S 4.9773 8.4901 119.3061 56.9711 64.5537 173.9986 40 V 3.8975 8.2493 123.5812 61.7086 33.0483 175.8588 41 E 4.4296 8.1197 125.0432 55.0799 32.0998 178.1579 42 R 3.9353 8.3481 118.7156 59.6773 30.2716 179.2270 43 S 4.1679 8.1896 113.4668 61.6980 62.6715 176.2935 44 F 3.7818 8.1440 123.2288 60.7694 39.2108 176.5019 45 A 4.0396 7.9436 120.1203 55.5713 18.1849 179.4300 46 E 4.1705 8.3282 116.7718 59.6253 29.3420 179.6277 47 K 3.9329 7.6475 118.4604 59.6601 32.2816 178.1240 48 H 4.1122 8.2269 118.1322 58.4868 30.1628 175.8643 49 Y 4.7899 7.9755 116.6443 57.9088 38.0111 177.2589 50 E 4.0303 7.9818 123.1032 59.2445 30.5503 178.6687 51 D 4.9398 8.0731 117.4972 53.2465 39.9369 175.9296 52 L 4.6934 7.7287 118.4754 54.4247 46.7187 176.8437 53 S 2.0000 8.1248 115.5730 60.1776 63.0422 175.7138 54 S 4.5684 7.0329 115.6530 56.1834 61.6434 173.3715 55 K 4.4950 7.1682 122.0865 54.9262 36.7109 177.8844 56 S 4.0116 8.3618 117.0084 61.4847 62.8800 175.7328 57 F 4.5136 6.9543 114.2710 57.2677 38.7820 176.6894 58 F 4.1880 8.2346 124.8824 62.0135 39.0229 177.0316 59 S 4.1281 8.5174 113.0679 61.4885 62.4879 176.6899 60 G 3.5007 8.1547 108.9649 47.7297 0.0000 175.5549 61 L 3.9401 7.8394 121.6380 57.3600 41.3123 179.9135 62 V 3.5851 7.3709 117.6242 66.0893 31.3148 177.5425 63 D 4.4472 7.6953 117.2618 57.7510 40.5601 178.3219 64 Y 4.4117 8.1741 119.5266 60.8682 38.7538 177.6572 65 I 3.5599 7.6875 117.3168 62.7595 38.2505 176.6700 66 V 4.2698 7.4968 117.8467 63.2741 31.9606 176.5576 67 S 4.6416 8.1022 111.7621 58.2881 62.9701 173.6253 68 G 4.0115 6.6238 111.5214 44.5844 0.0000 171.3493 69 P 4.7251 0.0000 0.0000 62.8955 32.9355 175.4397 70 V 4.4954 9.1957 113.7618 59.7430 36.8567 174.6411 71 V 4.8051 8.4577 121.4687 61.3984 33.3954 174.1625 72 A 4.7382 8.9088 130.7653 51.1405 21.0426 175.6265 73 M 5.2459 8.6376 119.4576 54.0269 37.6333 173.9351 74 I 4.8419 8.0027 120.9621 59.3251 40.5347 174.7263 75 W 5.1610 8.9567 126.6930 54.7052 31.9202 174.1395 76 E 5.1640 10.1656 125.3674 53.3917 32.3396 175.2336 77 G 4.5498 8.4613 115.4902 45.7825 0.0000 171.6162 78 K 4.4109 9.2000 122.8158 57.6519 32.6583 176.1868 79 N 4.4534 9.2262 122.1639 54.2651 36.4324 176.5426 80 V 3.2515 7.6163 121.1203 64.7303 31.0304 178.0933 81 V 3.5213 7.8814 118.3669 65.9814 31.5098 178.1312 82 L 4.0328 7.8205 118.1947 57.9968 41.5181 179.4037 83 T 4.0247 8.6506 116.2290 66.6170 68.4269 176.7801 84 G 3.7340 8.3698 107.9864 48.0852 0.0000 175.9489 85 R 4.0037 7.9558 120.4661 58.6861 29.7873 179.1525 86 K 3.9506 7.8543 118.8651 59.5283 32.5062 178.6855 87 I 3.7547 7.9686 120.3845 64.3720 36.8551 178.5267 88 I 3.7997 7.7292 120.8775 62.3340 36.8752 176.8818 89 G 4.1991 7.7840 103.3821 44.0144 0.0000 172.6103 90 A 4.1042 8.1307 121.0275 52.4671 18.8485 177.8099 91 T 3.9039 8.7168 118.6565 66.5635 68.8737 174.3300 92 N 4.6016 8.0187 121.6986 51.8926 38.7096 173.3756 93 P 4.4521 0.0000 0.0000 65.4774 31.5914 178.3067 94 A 4.0181 8.2959 119.4311 53.6801 18.5654 177.8771 95 A 4.4780 8.1689 117.9002 52.6099 19.8253 177.8932 96 S 4.2374 7.4144 112.2108 58.2942 63.8992 173.8263 97 E 4.2556 8.5232 123.2909 54.9120 30.2746 174.4984 98 P 4.4486 0.0000 0.0000 64.1112 31.8672 176.4624 99 G 3.9930 8.9400 110.4056 45.6641 0.0000 174.5604 100 T 4.5495 7.5059 110.1709 59.9572 72.1585 175.8006 101 I 3.8239 8.4997 122.6628 64.9446 37.2221 179.2732 102 R 4.2003 8.4616 119.0140 58.9710 29.5957 179.4952 103 G 3.5643 7.8391 105.2293 47.2832 0.0000 175.0568 104 D 4.3034 7.8034 119.7139 55.2086 41.0561 177.3267 105 F 4.8975 8.0318 115.2833 56.8566 41.4355 175.0855 106 A 4.8448 7.9072 122.7863 50.6394 20.7103 176.0121 107 I 4.3194 8.3663 119.8742 62.5253 39.9223 175.7796 108 D 4.7381 7.7357 119.2852 52.5269 42.1512 176.8907 109 I 3.7275 8.4247 126.0440 63.4292 38.1484 176.5491 110 G 3.7523 7.6590 105.9918 46.0394 0.0000 173.7142 111 R 4.8219 7.8905 117.5131 53.9535 30.5318 174.5509 112 N 4.7344 8.1194 108.3705 53.2577 38.7660 177.4462 113 V 3.4780 8.5761 122.7722 65.0117 31.8970 171.8671 114 I 5.2149 7.3145 107.9268 59.5886 41.3107 172.8832 115 H 5.0349 9.1405 120.6587 54.5706 33.4399 172.1680 116 G 4.3519 8.1145 109.4845 44.2463 0.0000 172.5344 117 S 4.8018 8.6720 119.9947 59.0413 63.5844 175.2738 118 D 4.6149 8.9369 122.1042 54.7821 40.2716 176.3664 119 S 4.6300 7.4776 113.9734 55.9344 67.1795 175.1398 120 V 3.5735 8.2784 120.8765 66.2330 31.3447 177.7430 121 E 4.0548 8.1585 116.7695 59.2624 29.4827 178.8316 122 S 4.1134 8.2253 114.2315 61.2506 62.4256 175.9755 123 A 4.7276 8.4089 125.2975 54.5592 18.0596 179.9225 124 R 3.8819 8.0502 116.8454 59.1896 30.1667 179.0424 125 K 3.8810 8.0435 119.3505 59.6700 32.2120 178.5426 126 E 3.9930 8.2139 118.7215 59.6769 29.3639 179.6018 127 I 3.8962 8.2835 119.9397 64.2570 36.9237 178.4154 128 A 4.1066 7.8752 121.0250 54.8608 18.2639 179.2381 129 L 3.9471 7.7466 118.0369 58.1822 42.3400 178.9269 130 W 4.3645 8.2431 116.8825 57.7168 30.5855 176.6155 131 F 4.9579 8.5248 117.2679 54.8580 38.8606 173.5231 132 P 4.2787 0.0000 0.0000 65.9726 31.7350 178.1665 133 D 4.3782 8.0411 115.0657 55.3483 40.9010 176.4778 134 G 3.9421 8.3338 106.2018 43.6538 0.0000 170.9583 135 P 4.6081 0.0000 0.0000 62.1543 32.8506 176.1732 136 V 4.1378 8.4814 122.2028 61.9845 31.9739 174.7969 137 N 5.1105 8.7318 126.3126 51.7364 39.7058 174.7856 138 W 5.1607 8.4416 118.9054 55.5252 31.0635 173.4883 139 Q 4.3899 8.5866 117.9330 53.9888 30.6551 175.4579 140 S 4.6650 8.0309 116.8118 57.4878 63.3486 174.7013 141 S 4.4812 8.7873 120.5824 59.5997 63.4857 174.7058 142 V 4.2662 7.6526 120.9976 63.5575 32.1807 176.6634 143 H 4.1676 8.1367 119.7621 59.7618 29.4027 174.7932 144 P 4.3282 0.0000 0.0000 64.3163 31.2023 177.0559 145 W 4.6769 8.0150 117.6733 56.8071 29.7054 176.4038 146 V 4.0538 7.7167 118.1083 62.9980 32.4315 174.8764 147 Y 4.6205 7.5563 114.7846 55.7713 41.2476 174.5020 148 E 4.3274 8.6304 120.5161 56.5820 31.0110 176.9728 149 T 3.7370 8.3838 117.0569 64.3064 68.7027 172.1452 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 8.25 4.69 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 2 E 8.10 4.09 0.00 2.20 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 2.38 2.42 0.00 3 Q 8.72 5.15 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 4 T 9.20 4.77 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 5 F 8.70 5.41 0.00 3.19 3.10 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 6 I 7.79 4.60 1.66 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 0.33 0.34 0.62 0.00 0.00 7 M 8.31 4.80 0.00 1.69 0.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 8 I 8.67 4.42 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.88 0.00 0.00 9 K 9.18 4.33 0.00 1.94 1.61 0.00 1.97 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.58 7.81 10 P 0.00 4.46 0.00 2.11 2.11 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 11 D 8.30 4.55 0.00 2.95 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 12 G 8.11 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 13 V 7.65 3.60 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 1.06 0.00 0.00 0.95 0.00 0.00 14 Q 8.07 4.11 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 15 R 8.28 4.46 0.00 1.82 1.91 0.00 3.34 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 16 G 7.68 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 0.00 0.00 0.00 17 L 7.79 4.34 0.00 1.63 1.28 0.64 -0.35 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 18 I 7.59 3.77 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 1.55 1.12 0.92 0.00 0.00 19 G 8.03 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 20 E 8.07 3.95 0.00 1.89 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 0.00 2.43 2.56 0.00 21 V 7.90 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 1.14 0.00 0.00 0.97 0.00 0.00 22 I 7.84 4.06 2.15 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 1.82 0.75 1.30 0.00 0.00 23 C 8.12 4.24 0.00 3.25 3.01 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 24 R 7.76 3.79 0.00 1.69 1.73 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 25 F 7.90 3.78 0.00 1.83 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.23 0.00 2.39 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 2.73 2.98 0.00 27 K 8.26 3.96 0.00 1.72 1.82 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.75 7.81 28 K 7.59 3.83 0.00 1.58 1.57 0.00 1.37 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 0.52 7.81 29 G 7.49 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 0.00 0.00 0.00 30 F 7.40 5.12 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 31 T 9.25 4.81 4.18 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 0.56 0.00 0.00 32 L 8.87 3.44 0.00 0.70 1.42 -0.33 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.70 4.75 0.00 1.47 1.74 0.00 1.80 0.00 0.00 1.96 0.00 0.00 2.42 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 34 G 7.03 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 0.00 0.00 0.00 35 L 8.56 5.56 0.00 1.46 1.44 0.91 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 36 K 8.29 4.39 0.00 1.82 1.89 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.14 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.33 1.33 7.81 37 L 8.64 4.99 0.00 1.67 1.61 0.91 1.01 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 38 I 9.07 4.69 1.78 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 1.28 0.70 0.84 0.00 0.00 39 S 8.49 4.98 0.00 3.72 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 40 V 8.25 3.90 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 0.79 0.00 0.00 1.08 0.00 0.00 41 E 8.12 4.43 0.00 2.03 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 2.33 2.31 0.00 42 R 8.35 3.94 0.00 1.84 2.01 0.00 3.34 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 43 S 8.19 4.17 0.00 4.06 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 44 F 8.14 3.78 0.00 2.98 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 45 A 7.94 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.17 0.00 2.32 2.34 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 2.53 2.52 0.00 47 K 7.65 3.93 0.00 1.80 1.52 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.34 7.81 48 H 8.23 4.11 0.00 2.61 3.25 0.00 5.98 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.98 4.79 0.00 3.31 3.09 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 50 E 7.98 4.03 0.00 2.17 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 0.00 2.31 2.39 0.00 51 D 8.07 4.94 0.00 2.78 2.70 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 52 L 7.73 4.69 0.00 2.28 1.95 1.08 1.02 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 53 S 8.12 2.00 0.00 3.38 3.67 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 54 S 7.03 4.57 0.00 4.03 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 55 K 7.17 4.50 0.00 1.97 0.96 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.54 7.81 56 S 8.36 4.01 0.00 3.86 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 57 F 6.95 4.51 0.00 3.14 3.38 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 58 F 8.23 4.19 0.00 3.35 3.28 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 59 S 8.52 4.13 0.00 4.11 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 0.00 60 G 8.15 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 61 L 7.84 3.94 0.00 1.31 0.57 0.82 0.35 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 62 V 7.37 3.59 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 1.01 0.00 0.00 0.37 0.00 0.00 63 D 7.70 4.45 0.00 2.89 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 64 Y 8.17 4.41 0.00 2.95 3.09 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 65 I 7.69 3.56 2.16 0.00 0.00 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 1.52 0.96 1.19 0.00 0.00 66 V 7.50 4.27 2.18 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 1.10 0.00 0.00 1.05 0.00 0.00 67 S 8.10 4.64 0.00 4.15 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 0.00 68 G 6.62 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 0.00 0.00 0.00 69 P 0.00 4.73 0.00 2.12 2.18 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 70 V 9.20 4.50 2.27 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 0.73 0.00 0.00 1.02 0.00 0.00 71 V 8.46 4.81 2.05 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 0.89 0.00 0.00 0.92 0.00 0.00 72 A 8.91 4.74 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 73 M 8.64 5.25 0.00 1.58 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 74 I 8.00 4.84 1.39 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.76 0.00 0.00 75 W 8.96 5.16 0.00 2.99 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 76 E 10.17 5.16 0.00 1.97 1.74 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 2.18 2.37 0.00 77 G 8.46 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.20 4.41 0.00 2.12 2.04 0.00 2.08 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.58 1.54 7.81 79 N 9.23 4.45 0.00 3.07 2.94 0.00 0.00 6.88 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 80 V 7.62 3.25 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 0.95 0.00 0.00 -0.08 0.00 0.00 81 V 7.88 3.52 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 1.05 0.00 0.00 0.96 0.00 0.00 82 L 7.82 4.03 0.00 1.76 1.72 0.94 0.75 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 83 T 8.65 4.02 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 1.43 0.00 0.00 84 G 8.37 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 0.00 0.00 0.00 85 R 7.96 4.00 0.00 2.06 2.01 0.00 3.38 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 86 K 7.85 3.95 0.00 1.76 2.02 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 87 I 7.97 3.75 1.71 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 1.28 0.27 0.49 0.00 0.00 88 I 7.73 3.80 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.95 0.00 0.00 89 G 7.78 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 0.00 0.00 0.00 0.00 90 A 8.13 4.10 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 91 T 8.72 3.90 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 1.23 0.00 0.00 92 N 8.02 4.60 0.00 2.73 2.72 0.00 0.00 7.14 7.71 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 93 P 0.00 4.45 0.00 2.36 2.17 0.00 3.65 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 2.30 2.13 0.00 94 A 8.30 4.02 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 95 A 8.17 4.48 1.27 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 0.00 0.00 0.00 96 S 7.41 4.24 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 97 E 8.52 4.26 0.00 1.99 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 2.37 2.25 0.00 98 P 0.00 4.45 0.00 1.98 1.92 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 99 G 8.94 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 0.00 0.00 0.00 100 T 7.51 4.55 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 101 I 8.50 3.82 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.01 1.10 0.00 0.00 102 R 8.46 4.20 0.00 1.93 2.02 0.00 3.15 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 103 G 7.84 3.56 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 0.00 104 D 7.80 4.30 0.00 1.64 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 0.00 0.00 0.00 105 F 8.03 4.90 0.00 3.03 3.01 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 0.00 106 A 7.91 4.84 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 0.00 107 I 8.37 4.32 1.89 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 1.31 0.75 0.92 0.00 0.00 108 D 7.74 4.74 0.00 2.69 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 0.00 109 I 8.42 3.73 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.88 0.00 0.00 110 G 7.66 3.75 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 0.00 111 R 7.89 4.82 0.00 1.76 2.01 0.00 3.30 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 112 N 8.12 4.73 0.00 2.88 2.94 0.00 0.00 6.32 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 0.00 113 V 8.58 3.48 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 0.91 0.00 0.00 1.02 0.00 0.00 114 I 7.31 5.21 1.92 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 1.29 0.89 0.92 0.00 0.00 115 H 9.14 5.03 0.00 3.29 3.08 0.00 5.75 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 0.00 116 G 8.11 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 0.00 0.00 0.00 0.00 117 S 8.67 4.80 0.00 3.88 4.08 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 0.00 0.00 0.00 0.00 118 D 8.94 4.61 0.00 2.80 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 0.00 119 S 7.48 4.63 0.00 4.05 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 0.00 120 V 8.28 3.57 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 1.10 0.00 0.00 0.95 0.00 0.00 121 E 8.16 4.05 0.00 2.25 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 2.38 2.39 0.00 122 S 8.23 4.11 0.00 4.02 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 0.00 123 A 8.41 4.73 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 0.00 124 R 8.05 3.88 0.00 2.10 2.01 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 125 K 8.04 3.88 0.00 1.85 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 126 E 8.21 3.99 0.00 2.34 1.69 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 2.46 2.51 0.00 127 I 8.28 3.90 2.00 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 1.63 0.88 0.98 0.00 0.00 128 A 7.88 4.11 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 0.00 129 L 7.75 3.95 0.00 1.51 1.87 0.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.24 4.36 0.00 3.01 2.90 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 0.00 131 F 8.52 4.96 0.00 3.30 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 0.00 132 P 0.00 4.28 0.00 2.05 2.15 0.00 3.67 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 2.03 2.27 0.00 133 D 8.04 4.38 0.00 2.75 2.77 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 0.00 134 G 8.33 3.94 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 0.00 0.00 0.00 135 P 0.00 4.61 0.00 2.04 1.98 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 136 V 8.48 4.14 2.18 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 0.78 0.00 0.00 0.96 0.00 0.00 137 N 8.73 5.11 0.00 2.68 2.75 0.00 0.00 6.96 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 0.00 138 W 8.44 5.16 0.00 3.51 2.93 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 0.00 139 Q 8.59 4.39 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 140 S 8.03 4.67 0.00 3.51 3.65 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 0.00 141 S 8.79 4.48 0.00 4.13 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 0.00 142 V 7.65 4.27 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 1.16 0.00 0.00 1.06 0.00 0.00 143 H 8.14 4.17 0.00 3.27 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.33 0.00 1.69 1.98 0.00 3.90 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 1.77 1.97 0.00 145 W 8.02 4.68 0.00 3.44 3.27 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 0.00 146 V 7.72 4.05 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 0.34 0.00 0.00 1.02 0.00 0.00 147 Y 7.56 4.62 0.00 2.79 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 0.00 148 E 8.63 4.33 0.00 1.97 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 2.25 2.31 0.00 149 T 8.38 3.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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