NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3979 8.1627 118.7823 53.9903 33.4328 175.8632 5 K 3.7275 8.5342 125.2765 58.5271 32.3638 177.0533 6 H 4.0314 8.8735 117.2868 59.3350 29.0657 177.3103 7 T 3.9145 7.7502 116.9049 66.4396 68.3378 176.6336 8 E 3.9048 8.0623 120.5495 59.5565 29.5847 178.8986 9 L 3.8970 8.3112 119.1658 58.1010 41.6189 179.5788 10 R 3.9117 8.0836 117.1749 59.4746 30.2169 179.1375 11 A 3.9107 7.9739 119.8484 55.2390 18.2559 179.3605 12 A 3.9179 8.3146 118.1959 55.2263 18.5509 179.6742 13 V 3.7776 7.5796 116.1694 66.1611 31.6284 177.5681 14 L 3.9519 8.3062 117.6122 58.5380 41.7240 178.7732 15 D 4.1427 8.5646 116.8880 57.8968 40.8079 179.6503 16 A 3.8102 7.4773 119.6622 55.3241 18.8438 179.3846 17 L 4.0127 7.9904 118.0425 57.4120 42.1015 177.9965 18 E 4.1285 8.2366 118.4467 56.5454 29.6089 177.9574 19 K 4.1894 7.6387 123.0776 56.5930 32.1979 182.1313 *20 H 4.8947 7.6824 117.0614 54.3739 29.6204 181.6074 21 D 4.5518 8.6726 117.1919 54.9983 39.7388 176.8610 22 T 3.9596 7.9704 110.3902 62.9081 68.0676 174.5903 23 G 4.0632 8.7589 115.9553 45.8863 0.0000 172.2749 24 A 4.7982 7.9911 123.2090 50.7777 21.3697 177.1816 25 T 4.6249 8.2733 113.7669 62.0002 71.4762 173.8339 26 F 5.4129 8.8681 124.1187 55.9424 41.3827 174.9930 27 F 4.7406 9.6079 121.7646 55.2308 41.8479 175.5757 28 D 4.9761 9.2859 124.9128 51.0676 39.7327 174.3603 29 G 3.9645 7.5451 106.0586 43.1602 0.0000 171.5988 30 R 3.6003 7.8550 123.8990 55.2215 29.2403 174.5943 31 P 3.9859 0.0000 0.0000 62.6194 31.8767 176.0494 32 A 4.1743 8.2122 124.3080 53.7311 20.2119 178.5660 33 V 4.3233 7.2226 111.7536 58.7815 34.0379 176.5086 34 F 4.7273 8.7705 126.2999 55.2131 40.6855 175.8620 35 D 4.5713 8.6790 125.0711 52.3665 40.2627 173.7564 36 E 3.6320 8.9103 124.8368 58.0532 29.6152 177.2602 37 A 4.3623 7.7338 118.9711 52.5403 18.7597 177.1965 38 D 4.5807 8.0414 116.4633 54.8914 41.4791 176.6472 39 F 5.1072 7.1067 117.8371 55.1758 40.8020 173.7803 40 P 4.6748 0.0000 0.0000 62.8253 32.4989 175.1010 41 A 5.3001 8.7538 124.7724 50.1626 22.6996 175.4269 42 V 4.7326 9.4481 120.3605 61.1788 34.6931 174.0898 43 A 5.5406 9.2184 129.8669 50.2006 21.8456 174.9137 44 V 5.1477 9.1360 121.0502 60.3972 34.4553 174.2123 45 Y 4.9150 7.9148 124.3229 56.2435 41.6854 173.0221 46 L 5.6035 8.7095 118.4291 53.2459 45.3466 176.4002 47 T 4.6915 8.9627 111.4356 59.8048 72.7054 173.5622 48 G 4.1373 8.8656 108.5985 46.4559 0.0000 173.7764 49 A 4.6466 8.3177 122.0111 52.5930 19.4319 178.8628 50 E 4.5412 9.9257 121.3573 54.5718 34.4056 171.0269 51 Y 2.8013 7.4304 124.2099 56.4313 39.7202 174.9042 52 T 3.8901 8.0144 117.1828 60.6972 70.4507 173.6176 53 G 4.2749 7.6410 121.6839 45.5452 0.0000 171.4327 *56 L 3.9839 7.9021 126.6090 54.4566 42.4052 173.0471 57 D 4.8151 8.8717 125.6703 53.1300 40.0774 173.2560 58 S 4.7428 8.1948 118.7838 57.2924 65.7577 171.3838 59 D 5.3092 8.3827 119.9072 56.1887 41.3085 177.3419 60 T 4.3588 7.8153 113.7779 61.5238 69.9542 176.1977 61 W 5.0603 8.8950 124.5844 54.2928 33.3332 173.9101 62 Q 5.0298 9.1717 125.7856 54.4793 31.4578 174.0515 63 A 5.0675 8.8010 125.5617 50.9573 24.0196 174.2111 64 E 4.9439 9.0230 119.7959 54.4429 32.0411 174.6453 65 L 4.6957 8.7077 130.4065 55.0066 43.6805 175.1563 66 H 5.1977 9.1363 123.0587 53.9938 32.6769 173.2083 67 I 4.6086 8.3473 121.7300 59.7986 40.3805 173.5729 68 E 4.7682 9.0339 128.7809 54.2600 32.1586 174.6489 69 V 4.4219 7.9011 125.8544 61.0952 33.9715 174.1537 70 F 4.8049 8.9413 126.9785 55.9710 41.4238 174.9003 71 L 4.5462 8.4983 120.4700 52.3649 46.7595 173.1047 72 P 4.5635 0.0000 0.0000 63.0641 31.7544 177.0365 73 A 4.0268 8.4910 128.2232 54.1306 18.7516 178.5317 74 Q 4.5569 7.3616 115.3683 54.5082 28.1703 181.7772 75 V 4.5796 7.2619 118.4435 59.1334 34.7288 174.0475 76 P 4.4669 0.0000 0.0000 62.4819 32.1629 176.9117 77 D 4.6299 9.0003 122.9064 58.5023 40.6533 179.7961 78 S 4.1491 8.2566 118.6396 63.4746 62.1282 178.8105 79 E 4.1859 8.2155 122.6534 59.1862 29.3924 178.7848 80 L 4.0562 8.0575 118.5038 58.0132 41.7398 178.8609 81 D 5.0857 9.3602 120.4431 56.8508 40.7738 178.8835 82 A 4.0642 8.4928 121.2796 55.1089 18.5385 179.2008 83 W 3.9688 8.8849 127.1024 61.0466 30.6373 177.9838 84 M 4.2388 8.7407 121.0507 59.3369 31.3148 179.2865 85 E 4.4637 8.3963 117.1161 61.3355 29.9365 180.7913 86 S 4.5023 8.3184 112.5422 60.6076 62.5188 175.0253 87 R 4.4737 7.8924 116.9039 55.4135 32.8682 176.8291 88 I 4.2712 7.8876 117.6779 63.5518 37.7572 177.2071 89 Y 4.4317 7.8208 116.1377 61.0137 38.0557 176.6300 90 P 4.4122 0.0000 0.0000 66.0253 31.4743 178.4807 91 V 3.6144 7.9208 116.0399 66.4955 31.2091 177.3053 92 M 4.2313 8.5986 118.4907 58.0730 32.2107 178.4575 93 S 4.5249 8.0124 118.1657 62.5799 62.4502 179.4633 94 D 4.4483 7.0616 116.5658 52.9151 43.7015 175.7335 95 I 4.4422 7.8955 127.8478 58.0958 39.2058 173.8876 96 P 4.2192 0.0000 0.0000 65.2172 31.0622 178.2197 97 A 3.9892 7.8233 118.7349 54.9799 18.6009 178.9302 98 L 4.1013 7.8363 120.9189 58.6879 41.9509 179.7950 99 S 4.2431 8.4446 121.6440 63.9117 62.0801 178.8123 100 D 4.9847 7.8858 120.9409 56.0858 39.4276 178.3092 101 L 4.7475 7.6893 119.4348 55.8634 43.7731 176.8441 102 I 4.6257 7.1954 109.7266 59.7464 39.3789 175.4465 103 T 4.5146 8.8458 110.2393 60.5560 69.5009 174.4949 104 S 5.1388 7.1903 120.2038 59.0596 64.8379 175.6982 105 M 5.4818 8.4490 120.4784 54.5915 35.3976 174.0454 106 V 4.7617 8.8520 122.7127 59.9652 35.3235 173.5545 107 A 4.0107 8.8838 124.3455 53.0701 18.4534 175.4835 108 S 4.4732 8.5967 112.8299 58.8722 64.4190 174.9645 109 G 4.1621 8.0037 102.6064 45.7932 0.0000 170.3494 110 Y 4.7083 8.4255 120.1681 56.8560 40.4009 173.4208 111 D 5.2990 8.9835 126.3664 52.7617 44.0528 174.7448 112 Y 5.0142 8.6135 117.3313 56.4758 40.5057 175.3641 113 R 4.9769 8.8075 123.9839 55.4503 34.8586 174.9681 114 R 4.4973 8.1829 118.3977 55.4517 33.8023 174.0177 115 D 3.7168 6.5905 119.8432 53.9624 40.9485 176.9992 116 D 4.3516 8.5665 127.0618 56.6200 41.9869 177.1936 117 D 4.1450 8.1910 118.1120 55.6818 40.0550 177.2094 118 A 4.0066 8.8620 126.7964 54.7723 19.2973 179.5823 119 G 4.0555 9.1993 105.6120 47.0159 0.0000 175.1568 120 L 4.5092 8.0379 122.5650 55.9159 42.7761 178.5349 121 W 5.5157 7.1099 112.7818 55.7063 32.3297 173.5876 122 S 5.1585 10.0045 115.2324 56.7320 65.6475 172.7206 123 S 5.5094 9.7555 119.7902 55.5919 67.3636 172.4736 124 A 4.4994 7.7047 120.3232 50.1363 22.1143 174.2837 125 D 4.8288 8.6377 123.5772 52.4374 43.4993 174.7390 126 L 4.5374 8.2498 129.6259 53.6314 43.7472 175.1677 127 T 5.1347 8.2395 116.4637 60.0799 72.1573 172.5851 128 Y 5.1464 8.7303 119.8209 56.2905 42.7838 174.2999 129 V 4.9776 8.7375 121.1256 61.2607 34.1437 174.6296 130 I 5.3890 8.6049 120.0948 59.3671 41.5659 174.1847 131 T 5.1121 8.3506 111.8649 60.5612 72.5693 172.4384 132 Y 4.9021 7.6864 119.7814 57.0376 42.1086 171.9119 133 E 5.5231 8.8831 118.0322 53.5418 32.3750 176.6333 134 M 4.0594 8.9059 122.7269 55.8618 31.9614 176.2115 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 4 M 8.16 4.40 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 5 K 8.53 3.73 0.00 1.83 1.63 0.00 1.51 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 6 H 8.87 4.03 0.00 3.12 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 3.91 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 1.18 0.00 0.00 8 E 8.06 3.90 0.00 2.10 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 2.29 2.53 0.00 9 L 8.31 3.90 0.00 1.65 1.58 0.31 0.79 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 10 R 8.08 3.91 0.00 1.88 2.11 0.00 3.37 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 11 A 7.97 3.91 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 12 A 8.31 3.92 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 13 V 7.58 3.78 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 1.04 0.00 0.00 0.94 0.00 0.00 14 L 8.31 3.95 0.00 1.80 1.60 1.01 1.41 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 15 D 8.56 4.14 0.00 2.66 2.59 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 0.00 0.00 0.00 16 A 7.48 3.81 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 17 L 7.99 4.01 0.00 1.85 1.99 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.24 4.13 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 2.05 1.96 0.00 19 K 7.64 4.19 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *20 H 7.68 4.89 0.00 2.87 2.95 0.00 7.18 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.67 4.55 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.96 4.57 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 1.30 0.00 0.00 23 G 8.76 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 24 A 7.99 4.80 1.17 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 25 T 8.27 4.62 4.39 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 0.80 0.00 0.00 26 F 8.87 5.41 0.00 2.82 3.02 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 0.00 0.00 0.00 27 F 9.61 4.74 0.00 2.96 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 28 D 9.29 4.98 0.00 2.65 2.64 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 29 G 7.55 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 R 7.85 3.60 0.00 0.67 1.31 0.00 3.19 0.00 0.00 2.69 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.33 0.00 31 P 0.00 3.99 0.00 0.77 1.06 0.00 3.42 0.00 0.00 3.53 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 32 A 8.21 4.17 1.16 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 0.00 0.00 33 V 7.22 4.32 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 34 F 8.77 4.73 0.00 3.16 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 35 D 8.68 4.57 0.00 2.65 2.55 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 36 E 8.91 3.63 0.00 1.95 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 2.42 2.48 0.00 37 A 7.73 4.36 1.25 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 0.00 0.00 38 D 8.04 4.58 0.00 2.43 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 39 F 7.11 5.11 0.00 3.04 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 40 P 0.00 4.67 0.00 2.20 1.80 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 41 A 8.75 5.30 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 42 V 9.45 4.73 1.25 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 1.00 0.00 0.00 0.58 0.00 0.00 43 A 9.22 5.54 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.14 5.15 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 1.33 0.00 0.00 1.05 0.00 0.00 45 Y 7.91 4.91 0.00 3.06 3.08 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 46 L 8.71 5.60 0.00 1.55 1.63 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.96 4.69 4.37 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 1.35 0.00 0.00 48 G 8.87 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 0.00 0.00 0.00 49 A 8.32 4.65 1.67 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 0.00 0.00 50 E 9.93 4.54 0.00 1.54 1.75 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 2.13 2.09 0.00 51 Y 7.43 2.80 0.00 1.53 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 0.00 0.00 0.00 0.00 52 T 8.01 3.89 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 0.94 0.00 0.00 53 G 7.64 4.27 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 0.00 *56 L 7.90 3.98 0.00 1.61 1.62 0.92 1.07 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 57 D 8.87 4.82 0.00 2.69 2.51 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 58 S 8.19 4.74 0.00 3.56 3.59 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 0.00 0.00 0.00 59 D 8.38 5.31 0.00 2.96 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 60 T 7.82 4.36 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 61 W 8.90 5.06 0.00 2.97 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.17 5.03 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 63 A 8.80 5.07 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 64 E 9.02 4.94 0.00 2.12 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 2.09 2.36 0.00 65 L 8.71 4.70 0.00 1.89 1.62 0.90 0.86 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 66 H 9.14 5.20 0.00 1.40 2.48 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.35 4.61 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.93 0.00 0.00 68 E 9.03 4.77 0.00 2.19 1.84 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 1.47 1.95 0.00 69 V 7.90 4.42 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 -0.08 0.00 0.00 0.72 0.00 0.00 70 F 8.94 4.80 0.00 2.43 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 0.00 0.00 0.00 71 L 8.50 4.55 0.00 1.38 1.38 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.56 0.00 2.07 2.06 0.00 3.57 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 2.20 2.30 0.00 73 A 8.49 4.03 1.16 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 0.00 0.00 74 Q 7.36 4.56 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 75 V 7.26 4.58 2.08 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 0.96 0.00 0.00 1.04 0.00 0.00 76 P 0.00 4.47 0.00 2.26 2.23 0.00 3.74 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 2.11 2.01 0.00 77 D 9.00 4.63 0.00 2.66 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 78 S 8.26 4.15 0.00 3.73 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 79 E 8.22 4.19 0.00 2.11 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 2.43 2.46 0.00 80 L 8.06 4.06 0.00 2.07 1.72 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.36 5.09 0.00 2.97 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 82 A 8.49 4.06 1.46 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 83 W 8.88 3.97 0.00 3.54 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 84 M 8.74 4.24 0.00 2.12 2.49 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 85 E 8.40 4.46 0.00 2.07 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 2.26 2.19 0.00 86 S 8.32 4.50 0.00 3.79 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 R 7.89 4.47 0.00 1.40 1.66 0.00 2.21 0.00 0.00 2.55 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.00 88 I 7.89 4.27 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.93 0.91 0.00 0.00 89 Y 7.82 4.43 0.00 3.19 2.99 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 90 P 0.00 4.41 0.00 2.20 2.15 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 91 V 7.92 3.61 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 1.12 0.00 0.00 1.04 0.00 0.00 92 M 8.60 4.23 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.76 0.00 93 S 8.01 4.52 0.00 3.76 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 94 D 7.06 4.45 0.00 2.69 2.54 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 95 I 7.90 4.44 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 1.68 0.65 0.91 0.00 0.00 96 P 0.00 4.22 0.00 2.14 2.09 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 97 A 7.82 3.99 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 98 L 7.84 4.10 0.00 1.72 1.81 0.87 0.79 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 99 S 8.44 4.24 0.00 3.76 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 0.00 100 D 7.89 4.98 0.00 2.79 2.59 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 0.00 0.00 0.00 101 L 7.69 4.75 0.00 1.71 1.67 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.20 4.63 2.09 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 1.69 0.63 1.00 0.00 0.00 103 T 8.85 4.51 4.28 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 1.28 0.00 0.00 104 S 7.19 5.14 0.00 3.98 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 0.00 105 M 8.45 5.48 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 106 V 8.85 4.76 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 0.74 0.00 0.00 0.98 0.00 0.00 107 A 8.88 4.01 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 0.00 108 S 8.60 4.47 0.00 3.87 3.74 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 0.00 109 G 8.00 4.16 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 0.00 0.00 0.00 110 Y 8.43 4.71 0.00 3.07 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 0.00 111 D 8.98 5.30 0.00 2.55 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 0.00 112 Y 8.61 5.01 0.00 2.81 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 0.00 113 R 8.81 4.98 0.00 1.97 2.08 0.00 3.38 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 114 R 8.18 4.50 0.00 1.54 1.63 0.00 3.26 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 D 6.59 3.72 0.00 1.58 1.56 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 0.00 116 D 8.57 4.35 0.00 2.66 2.66 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 0.00 117 D 8.19 4.15 0.00 2.65 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 0.00 118 A 8.86 4.01 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 0.00 119 G 9.20 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 0.00 120 L 8.04 4.51 0.00 1.35 1.68 0.92 0.77 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 0.00 121 W 7.11 5.52 0.00 3.03 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 0.00 122 S 10.00 5.16 0.00 3.73 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 0.00 123 S 9.76 5.51 0.00 2.80 2.99 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 0.00 124 A 7.70 4.50 0.79 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 0.00 0.00 125 D 8.64 4.83 0.00 2.58 2.36 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 0.00 126 L 8.25 4.54 0.00 1.35 1.40 0.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.24 5.13 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 0.79 0.00 0.00 128 Y 8.73 5.15 0.00 2.96 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 0.00 129 V 8.74 4.98 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 1.04 0.00 0.00 0.96 0.00 0.00 130 I 8.60 5.39 2.04 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 1.46 0.94 0.99 0.00 0.00 131 T 8.35 5.11 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 1.20 0.00 0.00 132 Y 7.69 4.90 0.00 3.14 3.19 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 0.00 133 E 8.88 5.52 0.00 1.94 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 2.52 2.24 0.00 134 M 8.91 4.06 0.00 1.72 1.77 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.00 * Residues marked with a * may have inaccurate shift predictions.