NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4517 8.3349 115.4130 57.8410 63.3084 172.8179 2 K 4.0075 8.0843 127.5821 57.0925 32.9495 175.8136 3 T 4.1773 8.5455 118.7003 65.7308 70.3155 175.7823 4 N 4.3952 7.9454 120.3131 53.1615 39.9168 173.8067 5 P 4.2963 0.0000 0.0000 65.4601 31.4970 179.0327 6 R 3.9282 8.7454 117.7685 59.0866 30.0038 178.7120 7 L 3.9891 8.0388 119.6916 58.2731 42.2096 179.0456 8 S 4.1520 7.9064 115.2795 61.4663 62.5984 176.9492 9 S 4.0848 7.8192 117.6546 61.3208 62.7177 176.0285 10 L 3.9035 8.1635 123.4943 58.5855 41.6445 179.2537 11 I 3.7681 7.9315 119.1613 64.1456 36.9676 178.3560 12 A 3.9699 7.8436 121.4554 55.3073 18.2533 179.4168 13 D 4.2608 8.8479 118.1838 57.5740 40.3891 179.0724 14 L 3.9409 8.4280 119.6442 57.4865 41.5053 179.7217 15 K 4.1043 7.8040 118.3550 58.9889 32.1857 179.0369 16 S 4.0805 8.0700 113.2988 61.4685 62.2793 176.2258 17 A 4.0319 8.0174 123.0448 55.2512 17.9412 179.5437 18 A 4.5512 7.6184 118.6487 54.7102 18.5009 179.5862 19 R 4.1521 8.1177 115.7026 58.3017 30.3759 178.4543 20 S 4.5305 8.0018 113.7977 60.0612 63.9855 174.5954 21 S 4.6501 8.4122 116.5154 57.2905 64.8888 173.8414 22 G 4.0036 8.3959 108.8716 45.9841 0.0000 174.2120 23 G 3.9502 7.8384 107.0383 43.4226 0.0000 173.2504 24 A 4.6158 8.1273 124.1378 52.0866 20.5500 179.0863 25 V 3.4619 7.4069 109.6483 64.1583 31.7296 178.0722 26 W 5.3155 7.7468 118.2963 60.3459 28.8925 178.6460 27 G 3.6961 8.1785 104.7719 47.4105 0.0000 175.3243 28 D 4.3375 7.9000 119.9791 57.3080 41.2835 178.5385 29 V 3.6599 9.2841 119.1045 65.7264 31.3673 177.8458 30 A 4.0261 8.1982 120.7864 55.2415 18.0140 179.4654 31 E 3.9300 8.0749 115.9944 59.6037 29.6951 179.3392 32 R 4.0403 7.9396 118.2523 59.2035 29.9113 178.4379 33 L 3.8253 7.7931 117.9235 57.1641 41.6638 178.8035 34 E 4.1741 7.7158 118.1056 57.9477 29.5853 177.5553 35 K 4.2588 6.9775 117.5663 55.1021 32.9586 174.9081 36 P 4.3228 0.0000 0.0000 62.8789 32.1320 177.8203 37 R 3.4838 8.7275 120.7698 59.3857 30.1048 179.1900 38 R 4.0278 7.8825 112.8394 58.5806 29.6077 177.5418 39 T 4.1997 7.9067 108.5363 63.4081 69.5020 175.1951 40 H 4.1979 7.7018 118.4342 55.7912 29.4216 174.8872 41 A 4.1625 8.4091 124.1228 52.4458 19.6621 176.6172 42 E 4.9084 8.6895 119.8595 54.4788 31.2947 174.1913 43 V 4.4416 8.6200 124.0678 60.9666 34.5816 174.5092 44 N 5.1910 8.4579 123.8406 51.3805 40.6445 176.0735 45 L 4.1088 8.5029 120.5381 58.1368 41.7903 180.0892 46 G 3.7742 8.2305 105.1048 47.9938 0.0000 175.3037 47 R 4.0951 7.9982 120.2139 58.8770 30.0221 178.7034 48 I 3.7890 7.6552 119.3904 64.4169 37.0837 177.6395 49 E 3.8553 8.0136 118.6967 59.3058 29.3608 178.4163 50 R 3.9367 7.2125 116.4224 57.7808 30.2560 176.2438 51 Y 4.7963 7.3455 112.2748 57.3531 39.3650 175.3527 52 A 4.6713 8.1597 123.6895 50.9903 20.4039 176.8282 53 Q 4.5909 8.1120 116.3759 53.9182 31.7358 174.7966 54 E 4.0153 8.7463 119.9099 58.1157 29.9681 177.1647 55 D 4.3746 8.7823 118.6109 54.7046 38.8857 173.1387 56 E 4.7283 7.6574 120.6899 54.2838 31.4222 175.6979 57 T 4.2083 8.4751 124.8673 63.7398 69.7470 174.0679 58 V 4.2341 8.5601 127.7792 62.6362 33.0784 174.7954 59 V 4.8628 9.1886 128.1573 61.1910 33.9343 174.1655 60 V 4.8263 9.2537 129.1481 59.1288 33.0127 174.6275 61 P 4.4903 0.0000 0.0000 61.3407 30.4283 176.4373 62 G 3.9769 7.4663 116.5032 47.4695 0.0000 175.4136 63 K 5.0042 9.3735 126.9401 54.1925 35.7357 173.8598 64 V 4.7679 8.2167 125.9466 61.4361 33.4847 174.7024 65 L 4.9760 9.7329 127.6750 52.6167 45.0679 176.7263 66 G 4.1924 8.5370 106.7489 46.9158 0.0000 173.9973 67 S 4.4165 8.1540 117.3824 59.1371 64.3763 175.6691 68 G 4.1077 8.9121 110.0679 44.4596 0.0000 172.1601 69 V 4.3545 7.9883 116.9172 60.6768 34.0392 174.9002 70 L 4.7175 8.5478 128.0774 53.4716 43.9883 175.1868 71 Q 4.4714 9.1112 124.7301 57.0742 30.6796 176.8553 72 K 3.9116 8.2107 115.3581 57.3127 32.4517 176.8232 73 D 5.5372 8.4703 122.7823 52.5396 39.7432 175.0164 74 V 4.4326 7.7013 115.1329 59.4229 36.2081 175.0770 75 T 4.8846 8.3695 119.3928 62.4023 70.1105 173.6837 76 V 4.7958 8.9598 128.0272 61.3325 33.7249 174.2878 77 A 5.9400 9.6706 129.6898 49.6197 20.8550 175.1072 78 A 4.9956 8.4179 122.6571 49.2465 22.8167 176.8529 79 V 3.6025 8.3956 119.3337 66.2040 32.1213 175.6336 80 D 4.6118 7.1344 116.4566 53.5454 44.3427 174.4478 81 F 5.4199 8.8727 120.6397 55.3953 42.9273 175.0982 82 S 4.3832 8.9112 116.6029 57.9723 63.7794 175.5283 83 G 3.6953 8.9329 107.2178 48.4253 0.0000 176.0384 84 T 3.8802 7.9087 117.6180 66.1390 68.5749 176.0960 85 A 4.0379 7.8852 122.6807 55.6502 18.3018 179.4220 86 E 3.6774 8.2833 117.1061 59.2992 29.3967 179.3041 87 T 3.8455 7.4443 115.0296 66.4859 68.2126 176.8330 88 K 4.4242 8.1333 121.8431 58.9932 32.1267 179.3152 89 I 3.5799 7.8704 119.7969 64.7452 36.9011 178.1369 90 D 4.6155 7.4851 119.2455 56.6653 40.8258 178.2818 91 Q 4.1199 7.9402 118.3741 58.5775 28.9438 178.3670 92 V 4.5481 7.1287 108.0623 60.6413 33.3761 174.4880 93 G 4.1709 7.8010 111.7536 45.3409 0.0000 174.0215 94 E 5.0468 9.4797 125.4305 54.5243 33.5106 173.1523 95 A 4.9754 8.7539 128.5256 50.2604 20.6585 176.2626 96 V 4.6157 9.0621 122.5391 60.9920 35.6993 174.9309 97 S 5.1519 8.5538 119.3418 57.2504 64.5309 175.2498 98 L 3.8921 8.0642 121.2943 57.9426 40.6653 179.9497 99 E 3.8433 8.0412 118.3573 59.2533 29.3455 179.1970 100 Q 3.9083 7.8363 117.4819 58.8956 28.7003 178.0699 101 A 4.0268 7.9169 120.6487 55.6663 18.2169 179.4529 102 I 3.0753 7.6312 118.2143 64.1764 36.7962 178.3748 103 E 3.9894 7.4322 118.3339 59.0452 29.6306 177.7719 104 N 4.7219 8.1770 113.5827 53.4880 39.7261 175.2030 105 N 4.9376 8.0888 117.3215 51.1239 40.4184 173.4223 106 P 4.5889 0.0000 0.0000 66.4732 31.4890 177.6850 107 E 4.1600 8.4726 115.6162 56.7185 29.7858 177.0135 108 G 3.5132 8.9933 105.7874 46.0710 0.0000 172.2877 109 S 4.5655 8.4401 115.0762 57.2826 66.9560 174.3363 110 H 4.0441 8.3538 115.4416 57.1495 26.0210 174.8385 111 V 4.9010 7.3308 115.7532 59.8394 34.9210 176.0394 112 R 4.5467 8.8414 123.9846 54.4172 32.4026 174.7304 113 V 4.4077 8.3980 126.8533 62.8685 32.5420 175.1474 114 I 4.8697 8.8091 127.7513 59.5523 41.5244 175.8448 115 R 4.1700 8.3835 121.1410 56.6016 29.2567 174.7363 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 S 8.33 4.45 0.00 3.99 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 2 K 8.08 4.01 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.55 4.18 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 4 N 7.95 4.40 0.00 2.75 2.70 0.00 0.00 7.21 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 5 P 0.00 4.30 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.75 3.93 0.00 1.92 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.04 3.99 0.00 1.76 1.80 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.91 4.15 0.00 4.03 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 S 7.82 4.08 0.00 3.96 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 10 L 8.16 3.90 0.00 1.69 1.83 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.93 3.77 1.87 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 1.45 1.40 0.92 0.00 0.00 12 A 7.84 3.97 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 13 D 8.85 4.26 0.00 2.72 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 14 L 8.43 3.94 0.00 1.86 1.95 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.80 4.10 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 16 S 8.07 4.08 0.00 3.90 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 17 A 8.02 4.03 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 18 A 7.62 4.55 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 19 R 8.12 4.15 0.00 1.83 2.02 0.00 3.22 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 20 S 8.00 4.53 0.00 3.93 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 21 S 8.41 4.65 0.00 4.16 4.10 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 22 G 8.40 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 23 G 7.84 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 24 A 8.13 4.62 1.21 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 0.00 0.00 25 V 7.41 3.46 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 0.61 0.00 0.00 -0.40 0.00 0.00 26 W 7.75 5.32 0.00 3.35 3.22 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 27 G 8.18 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 28 D 7.90 4.34 0.00 3.06 2.81 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 0.00 0.00 0.00 29 V 9.28 3.66 2.37 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 1.03 0.00 0.00 1.08 0.00 0.00 30 A 8.20 4.03 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 31 E 8.07 3.93 0.00 2.15 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 2.36 2.45 0.00 32 R 7.94 4.04 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.79 3.83 0.00 1.78 1.69 0.90 0.80 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 34 E 7.72 4.17 0.00 2.11 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 2.36 2.51 0.00 35 K 6.98 4.26 0.00 1.95 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 P 0.00 4.32 0.00 2.16 1.97 0.00 3.63 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 2.12 2.12 0.00 37 R 8.73 3.48 0.00 1.79 1.91 0.00 3.09 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.88 4.03 0.00 1.91 2.05 0.00 3.02 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.91 4.20 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 1.22 0.00 0.00 40 H 7.70 4.20 0.00 3.29 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.41 4.16 1.23 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 0.00 0.00 42 E 8.69 4.91 0.00 1.80 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 2.20 2.45 0.00 43 V 8.62 4.44 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.46 5.19 0.00 2.70 2.95 0.00 0.00 7.62 6.74 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 45 L 8.50 4.11 0.00 1.85 1.74 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.23 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 0.00 0.00 0.00 47 R 8.00 4.10 0.00 1.98 2.08 0.00 3.17 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 48 I 7.66 3.79 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.59 0.96 0.00 0.00 49 E 8.01 3.86 0.00 1.98 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 2.42 2.32 0.00 50 R 7.21 3.94 0.00 1.70 1.37 0.00 2.34 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.28 0.00 51 Y 7.35 4.80 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 52 A 8.16 4.67 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 53 Q 8.11 4.59 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 54 E 8.75 4.02 0.00 1.98 1.96 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 2.48 2.36 0.00 55 D 8.78 4.37 0.00 2.83 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 56 E 7.66 4.73 0.00 1.91 2.06 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 2.23 2.41 0.00 57 T 8.48 4.21 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 1.37 0.00 0.00 58 V 8.56 4.23 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 0.81 0.00 0.00 0.99 0.00 0.00 59 V 9.19 4.86 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 1.06 0.00 0.00 1.14 0.00 0.00 60 V 9.25 4.83 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 0.90 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.49 0.00 2.08 2.12 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 62 G 7.47 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 0.00 0.00 0.00 63 K 9.37 5.00 0.00 1.73 1.56 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.38 7.81 64 V 8.22 4.77 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 1.07 0.00 0.00 0.79 0.00 0.00 65 L 9.73 4.98 0.00 1.79 1.54 0.93 0.79 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 66 G 8.54 4.19 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 0.00 67 S 8.15 4.42 0.00 3.99 3.79 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 68 G 8.91 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 0.00 0.00 0.00 69 V 7.99 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.55 4.72 0.00 1.60 1.52 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.11 4.47 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.21 3.91 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.70 7.81 73 D 8.47 5.54 0.00 2.80 2.56 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 74 V 7.70 4.43 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 0.84 0.00 0.00 1.00 0.00 0.00 75 T 8.37 4.88 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 1.27 0.00 0.00 76 V 8.96 4.80 2.31 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 1.13 0.00 0.00 1.02 0.00 0.00 77 A 9.67 5.94 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 78 A 8.42 5.00 0.46 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 0.00 0.00 79 V 8.40 3.60 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 0.71 0.00 0.00 0.90 0.00 0.00 80 D 7.13 4.61 0.00 2.77 2.37 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 81 F 8.87 5.42 0.00 2.85 2.94 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 82 S 8.91 4.38 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 83 G 8.93 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 84 T 7.91 3.88 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 85 A 7.89 4.04 1.58 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 0.00 0.00 86 E 8.28 3.68 0.00 1.94 1.92 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 2.17 2.03 0.00 87 T 7.44 3.85 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 1.20 0.00 0.00 88 K 8.13 4.42 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 89 I 7.87 3.58 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.89 0.00 0.00 90 D 7.49 4.62 0.00 2.63 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 91 Q 7.94 4.12 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 92 V 7.13 4.55 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 0.74 0.00 0.00 1.00 0.00 0.00 93 G 7.80 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 94 E 9.48 5.05 0.00 2.01 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 2.17 2.22 0.00 95 A 8.75 4.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.62 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 1.04 0.00 0.00 0.95 0.00 0.00 97 S 8.55 5.15 0.00 4.09 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 98 L 8.06 3.89 0.00 1.73 1.62 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.04 3.84 0.00 2.02 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 2.36 2.40 0.00 100 Q 7.84 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.92 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 0.00 102 I 7.63 3.08 1.54 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.41 0.55 0.00 0.00 103 E 7.43 3.99 0.00 1.94 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 0.00 2.31 2.33 0.00 104 N 8.18 4.72 0.00 2.77 2.87 0.00 0.00 6.81 8.57 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 0.00 105 N 8.09 4.94 0.00 2.93 3.10 0.00 0.00 6.85 7.59 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 0.00 106 P 0.00 4.59 0.00 2.30 2.26 0.00 3.91 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 107 E 8.47 4.16 0.00 2.01 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 0.00 2.34 2.48 0.00 108 G 8.99 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.44 4.57 0.00 3.82 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 0.00 110 H 8.35 4.04 0.00 3.33 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.33 4.90 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 0.44 0.00 0.00 0.89 0.00 0.00 112 R 8.84 4.55 0.00 2.08 1.81 0.00 3.14 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.40 4.41 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 8.81 4.87 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.99 0.00 0.00 115 R 8.38 4.17 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00