NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5147 8.2893 120.3289 54.8509 34.1550 175.8148 2 C 4.6162 7.5163 111.9856 54.8633 29.7707 173.8744 3 D 4.3123 9.0424 123.1380 58.8743 41.1854 179.0449 4 K 3.8583 8.2833 117.6028 60.1270 31.7540 178.1322 5 E 4.0984 8.1065 119.1951 59.5701 29.7458 178.4740 6 F 3.9837 7.8897 120.3784 61.5786 39.3816 176.7698 7 M 3.7968 9.7505 117.4566 58.4036 32.3766 177.8067 8 W 4.2120 9.4175 128.7440 59.6691 30.5754 177.5510 9 A 4.3348 7.8425 121.0023 54.8875 18.7304 178.7704 10 L 4.0655 7.2963 117.8057 58.0320 41.7526 179.8280 11 K 4.4743 7.6770 119.7213 58.2194 32.2748 177.5385 12 N 4.2319 7.5695 115.7268 53.2689 38.4099 175.4373 13 G 4.1249 8.1413 102.7253 45.9911 0.0000 175.8346 14 D 4.8461 7.6574 120.7156 53.3389 39.4049 177.9129 15 L 3.7639 10.0517 123.0241 58.8323 42.0668 177.5236 16 D 4.2713 7.9024 117.2511 56.9486 40.8773 178.1671 17 E 4.0741 9.5100 119.5210 59.4467 29.2217 179.6040 18 V 3.5285 7.6129 111.5279 63.7530 31.4170 178.3691 19 K 3.9634 7.6116 119.2231 59.0780 32.2999 178.1430 20 D 4.3525 7.7301 118.7047 57.4407 41.1221 177.5246 21 Y 3.9386 7.6919 116.9213 61.1933 37.7578 178.9600 22 V 3.8748 7.6358 117.0266 63.9585 31.5920 177.5723 23 A 4.2020 7.7074 120.9284 55.2861 18.1820 177.8793 24 K 3.9477 8.3307 117.7899 57.3951 32.4104 177.9972 25 G 3.8261 8.1917 115.4846 46.0390 0.0000 171.5379 26 E 3.5855 8.7277 115.4258 57.9959 28.0144 175.9904 27 D 4.7834 8.1298 127.0131 53.9694 42.7085 177.4923 28 V 4.1289 7.8209 112.5537 58.8192 29.9070 175.8683 29 N 4.4585 7.3293 113.2895 52.3127 38.3130 175.5507 30 R 4.2807 8.0912 118.9700 55.4234 31.0167 176.2152 31 T 4.5453 8.6380 120.1525 63.2854 67.7838 174.0407 32 L 3.9031 8.2506 127.9964 57.8802 40.8877 177.4852 33 E 4.0312 7.7908 119.5846 56.5606 29.4832 175.7173 34 G 4.3607 8.2523 109.0296 46.7545 0.0000 174.5053 35 G 4.2159 7.7909 107.6705 44.3868 0.0000 172.9993 36 R 4.7503 8.0344 117.1911 53.9352 34.4102 174.8449 37 K 4.8705 8.2405 119.4175 54.5366 34.7803 175.6093 38 P 4.8512 0.0000 0.0000 63.4602 30.5554 177.2016 39 L 4.6221 8.3254 121.3943 56.1894 43.0466 177.6257 40 H 4.0279 8.0516 117.9174 59.5976 29.9859 176.5166 41 Y 3.8590 7.6740 117.8603 60.7925 37.7688 178.0894 42 A 4.1467 8.1659 121.0869 55.0919 18.4463 179.4027 43 A 3.8399 7.8377 118.0115 55.5116 18.6379 179.0099 44 D 4.9775 8.4013 117.4992 57.0280 42.5474 176.9960 45 C 4.7467 8.5039 114.6537 59.3720 30.8746 174.4549 46 G 4.5595 7.5658 103.6844 44.7486 0.0000 172.5093 47 Q 3.3652 9.3171 114.4761 55.7383 26.6143 175.1645 48 L 3.7339 7.9019 114.0318 55.7380 39.7472 175.5019 49 E 4.3852 8.3517 118.9001 58.4710 30.1043 178.3708 50 I 3.9324 7.6849 119.7188 63.9092 37.1082 178.1844 51 L 4.0216 7.9359 120.3287 59.2336 40.1378 179.1543 52 E 4.1157 7.4578 115.4623 58.9270 29.6451 178.1973 53 F 4.3222 8.4531 121.2621 59.7125 38.9515 175.8117 54 L 3.6165 8.3424 124.0522 57.6605 40.8670 177.7341 55 L 4.1780 7.1768 119.8713 57.0598 42.8191 177.1434 56 L 4.1507 8.0931 120.3930 57.9499 43.6197 178.4164 57 K 4.2022 8.1751 115.9511 57.3405 31.6342 179.6847 58 G 4.1962 8.8986 118.7909 44.7270 0.0000 176.7640 59 A 5.1643 8.0695 129.1804 52.4573 19.4699 176.8170 60 D 4.4770 7.3813 117.8372 54.2396 41.6730 177.3852 61 I 3.8228 7.3571 119.0294 63.8466 38.1472 175.5649 62 N 4.8575 8.4909 112.4890 55.0661 41.6297 177.5219 63 A 3.7667 8.1454 120.1571 54.9748 19.8865 175.1594 64 P 3.9649 0.0000 0.0000 60.4487 31.9673 174.7418 65 D 4.7338 8.6883 119.6828 55.8225 45.9820 176.6032 66 K 4.1676 8.1037 119.0113 58.5936 32.8525 177.3587 67 H 4.2687 8.4922 114.0125 56.5797 28.9311 174.8828 68 H 4.4389 7.8035 117.7873 56.1022 28.7625 173.4990 69 I 4.4566 7.3147 115.0206 59.9232 41.0962 173.0092 70 T 4.6688 7.9838 118.4663 59.1417 69.9172 173.3996 71 P 4.3656 0.0000 0.0000 65.3732 31.8568 178.4846 72 L 3.9159 7.6895 119.3826 57.9580 41.1330 179.3959 73 L 3.8579 7.6277 117.1565 57.1572 41.2361 179.3786 74 S 4.1886 7.8242 112.7717 61.5322 62.5735 175.8949 75 A 4.0451 7.8513 122.7842 54.9646 18.3036 178.8452 76 V 3.2546 7.2070 115.9984 66.6758 31.3394 178.2170 77 Y 4.5570 6.4073 114.8143 58.6037 37.8764 176.3753 78 E 4.4924 8.6064 120.7368 55.0222 31.7216 177.1464 79 G 4.0626 7.8782 105.0700 45.7585 0.0000 174.5364 80 H 4.1454 8.2430 116.8639 58.9974 29.4248 176.3488 81 V 3.5125 7.8730 107.9578 62.0116 29.5030 175.6320 82 S 4.3609 8.5125 117.9587 60.6349 62.8941 176.0013 83 C 4.2730 7.9279 117.2403 61.2433 29.8796 175.8063 84 V 3.5709 7.7841 115.2822 64.8139 30.8365 177.5761 85 K 3.8218 7.8807 115.6729 60.1692 31.5642 177.9938 86 L 4.0525 7.6512 123.5390 58.3004 41.0530 178.3696 87 L 4.0990 8.1609 123.2924 56.5500 41.8479 177.5991 88 L 4.1448 7.9660 121.9047 58.4956 40.4476 179.0742 89 S 4.1437 7.3430 113.5457 60.4091 62.3130 174.7970 90 K 4.5418 9.6552 118.9779 55.3021 33.9962 174.3210 91 G 3.6375 9.7394 110.8871 42.5061 0.0000 173.5454 92 A 3.6477 9.3153 123.5452 52.4928 18.7736 179.9541 93 D 4.1785 8.4086 114.4362 54.5487 42.4234 174.3272 94 K 4.7142 8.3969 111.2133 57.2375 38.0919 176.4530 95 T 4.5889 7.7049 109.6907 61.2536 69.0421 175.2162 96 V 3.6981 7.8892 120.6549 65.0212 31.7836 176.1593 97 K 4.3391 7.4073 115.7139 57.5419 36.4846 175.3575 98 G 3.8774 7.7507 107.0980 44.5299 0.0000 170.9595 99 P 4.3352 0.0000 0.0000 65.1039 32.8426 178.9659 100 D 4.5620 7.3379 120.7316 53.3717 42.1527 178.0226 101 G 3.7258 10.3094 107.6248 46.1498 0.0000 173.9676 102 L 3.5676 7.8422 121.3828 57.4169 44.0640 182.3134 103 T 3.2622 7.3725 109.1092 62.3118 69.5527 174.5538 104 A 4.2543 8.7781 129.7486 53.5813 19.2388 179.4457 105 L 3.9983 7.1842 116.2079 58.2342 42.0479 178.0314 106 E 4.4143 8.0215 119.4436 57.1211 30.0400 178.3090 107 A 4.4487 7.6279 121.9836 55.0949 19.1971 177.2458 108 T 4.3435 7.0347 110.1566 61.8667 69.6357 172.8961 109 D 4.7649 8.5446 116.1912 53.3550 43.2408 175.9283 110 N 4.5544 7.8371 116.3893 53.2606 37.9605 175.6788 111 Q 4.1709 8.5892 119.8914 57.3749 29.3974 177.4832 112 A 4.1961 7.7035 121.4430 55.7540 19.0331 179.6817 113 I 3.5827 7.5354 117.7659 64.4840 37.3740 178.5782 114 K 4.1480 7.7697 118.2623 58.8349 31.7888 178.9668 115 A 4.0072 7.8389 121.6773 55.1441 18.0477 179.5811 116 L 4.0912 8.1690 117.0759 57.1434 41.7680 178.7332 117 L 4.2721 7.5444 118.0561 56.5812 40.7771 177.4078 118 Q 4.2571 7.7782 124.0846 56.8428 28.8436 175.5185 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 8.29 4.51 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 2 C 7.52 4.62 0.00 3.21 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 3 D 9.04 4.31 0.00 2.68 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 4 K 8.28 3.86 0.00 1.81 1.84 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.55 7.81 5 E 8.11 4.10 0.00 2.04 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 0.00 2.47 2.59 0.00 6 F 7.89 3.98 0.00 2.73 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 7 M 9.75 3.80 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.44 0.00 8 W 9.42 4.21 0.00 3.39 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 9 A 7.84 4.33 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 0.00 0.00 10 L 7.30 4.07 0.00 1.83 1.89 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.68 4.47 0.00 1.71 1.41 0.00 1.17 0.00 0.00 1.35 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.13 7.81 12 N 7.57 4.23 0.00 2.37 3.11 0.00 0.00 7.63 7.72 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 13 G 8.14 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.66 4.85 0.00 2.69 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 15 L 10.05 3.76 0.00 1.60 1.60 0.57 0.93 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 16 D 7.90 4.27 0.00 2.61 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 17 E 9.51 4.07 0.00 2.18 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 2.32 2.35 0.00 18 V 7.61 3.53 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 1.03 0.00 0.00 0.96 0.00 0.00 19 K 7.61 3.96 0.00 1.32 1.76 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.26 7.81 20 D 7.73 4.35 0.00 2.53 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 21 Y 7.69 3.94 0.00 2.54 2.96 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 22 V 7.64 3.87 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 1.14 0.00 0.00 0.98 0.00 0.00 23 A 7.71 4.20 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 24 K 8.33 3.95 0.00 2.04 1.78 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.54 1.47 7.81 25 G 8.19 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 26 E 8.73 3.59 0.00 2.16 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 2.22 2.33 0.00 27 D 8.13 4.78 0.00 2.75 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 28 V 7.82 4.13 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 0.80 0.00 0.00 0.96 0.00 0.00 29 N 7.33 4.46 0.00 2.73 2.81 0.00 0.00 6.26 7.67 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 30 R 8.09 4.28 0.00 1.53 1.71 0.00 3.20 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 31 T 8.64 4.55 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 1.33 0.00 0.00 32 L 8.25 3.90 0.00 1.50 1.42 1.03 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.79 4.03 0.00 2.10 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 2.32 2.35 0.00 34 G 8.25 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.79 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 0.00 0.00 0.00 0.00 36 R 8.03 4.75 0.00 2.03 1.72 0.00 3.17 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 37 K 8.24 4.87 0.00 1.99 1.92 0.00 1.41 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.37 7.81 38 P 0.00 4.85 0.00 2.34 2.30 0.00 3.76 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 2.05 1.96 0.00 39 L 8.33 4.62 0.00 1.77 1.67 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.05 4.03 0.00 3.07 2.59 0.00 5.72 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 41 Y 7.67 3.86 0.00 3.15 3.03 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 42 A 8.17 4.15 1.49 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 0.00 0.00 43 A 7.84 3.84 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 44 D 8.40 4.98 0.00 2.55 2.74 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 0.00 0.00 0.00 45 C 8.50 4.75 0.00 2.90 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 46 G 7.57 4.56 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 47 Q 9.32 3.37 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.07 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 48 L 7.90 3.73 0.00 1.80 1.82 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.35 4.39 0.00 1.99 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 2.56 0.00 50 I 7.68 3.93 1.93 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 1.70 1.00 1.02 0.00 0.00 51 L 7.94 4.02 0.00 1.86 1.95 0.97 0.72 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 52 E 7.46 4.12 0.00 2.09 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 0.00 2.37 2.50 0.00 53 F 8.45 4.32 0.00 3.16 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 54 L 8.34 3.62 0.00 1.85 1.93 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.18 4.18 0.00 1.95 1.70 0.92 0.92 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 56 L 8.09 4.15 0.00 1.78 1.55 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.18 4.20 0.00 1.60 1.34 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.08 7.81 58 G 8.90 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 59 A 8.07 5.16 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 60 D 7.38 4.48 0.00 2.68 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 61 I 7.36 3.82 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 1.34 0.91 0.97 0.00 0.00 62 N 8.49 4.86 0.00 2.82 2.83 0.00 0.00 6.81 7.17 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 63 A 8.15 3.77 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 64 P 0.00 3.96 0.00 2.09 2.06 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 65 D 8.69 4.73 0.00 2.64 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 66 K 8.10 4.17 0.00 1.72 1.61 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.34 7.81 67 H 8.49 4.27 0.00 3.29 3.36 0.00 5.97 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.80 4.44 0.00 3.21 3.43 0.00 5.99 0.00 0.00 0.00 0.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.31 4.46 2.08 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 1.18 0.98 0.94 0.00 0.00 70 T 7.98 4.67 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 71 P 0.00 4.37 0.00 2.30 2.25 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 72 L 7.69 3.92 0.00 1.63 1.72 0.89 0.43 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 73 L 7.63 3.86 0.00 1.86 1.89 0.99 0.82 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 74 S 7.82 4.19 0.00 3.64 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 75 A 7.85 4.05 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 76 V 7.21 3.25 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 0.43 0.00 0.00 0.78 0.00 0.00 77 Y 6.41 4.56 0.00 3.09 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 78 E 8.61 4.49 0.00 2.05 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 2.10 2.19 0.00 79 G 7.88 4.06 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 0.00 0.00 0.00 80 H 8.24 4.15 0.00 3.18 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.87 3.51 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 0.81 0.00 0.00 0.91 0.00 0.00 82 S 8.51 4.36 0.00 3.85 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 83 C 7.93 4.27 0.00 3.14 3.18 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 0.00 84 V 7.78 3.57 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 1.01 0.00 0.00 0.91 0.00 0.00 85 K 7.88 3.82 0.00 1.92 1.73 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 86 L 7.65 4.05 0.00 1.80 1.80 0.94 0.70 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 87 L 8.16 4.10 0.00 1.85 1.51 0.89 0.31 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 88 L 7.97 4.14 0.00 1.87 1.92 0.95 0.89 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 89 S 7.34 4.14 0.00 3.94 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 90 K 9.66 4.54 0.00 1.68 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 91 G 9.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 9.32 3.65 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 93 D 8.41 4.18 0.00 2.64 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 94 K 8.40 4.71 0.00 1.83 1.82 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.35 7.81 95 T 7.70 4.59 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 1.25 0.00 0.00 96 V 7.89 3.70 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 0.72 0.00 0.00 1.00 0.00 0.00 97 K 7.41 4.34 0.00 1.55 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.36 7.81 98 G 7.75 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 0.00 0.00 0.00 99 P 0.00 4.34 0.00 2.10 2.03 0.00 3.94 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 100 D 7.34 4.56 0.00 2.70 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 0.00 0.00 0.00 101 G 10.31 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 0.00 102 L 7.84 3.57 0.00 1.74 1.65 0.98 0.73 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 0.00 103 T 7.37 3.26 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 1.22 0.00 0.00 104 A 8.78 4.25 1.29 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 0.00 0.00 105 L 7.18 4.00 0.00 1.95 1.63 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.02 4.41 0.00 2.19 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 2.36 2.41 0.00 107 A 7.63 4.45 1.44 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 0.00 0.00 0.00 108 T 7.03 4.34 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 1.23 0.00 0.00 109 D 8.54 4.76 0.00 2.60 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 0.00 110 N 7.84 4.55 0.00 2.96 2.92 0.00 0.00 6.52 7.05 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 0.00 111 Q 8.59 4.17 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 112 A 7.70 4.20 1.29 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 0.00 0.00 113 I 7.54 3.58 1.82 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 1.48 0.22 0.86 0.00 0.00 114 K 7.77 4.15 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.61 7.81 115 A 7.84 4.01 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 0.00 116 L 8.17 4.09 0.00 1.67 1.71 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.54 4.27 0.00 1.79 1.76 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.78 4.26 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00