NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4236 8.3049 120.3245 54.6583 33.4480 174.4013 2 L 4.0694 8.2055 120.2238 53.2419 42.1103 176.7485 3 T 4.3666 9.6401 116.5274 60.6602 72.5805 175.4471 4 E 3.9745 8.4910 119.9283 59.4750 29.3169 179.3692 5 D 4.3352 7.9790 118.6054 57.3383 40.8871 178.1764 6 D 4.3059 8.0677 119.3597 57.4512 40.7737 179.1009 7 K 3.7885 8.0011 118.7441 59.5389 32.0310 179.4992 8 Q 3.9639 8.1264 118.2761 58.9049 28.4923 178.7327 9 L 4.0636 8.0997 120.1399 57.6955 41.5473 179.6611 10 I 3.5136 7.8697 119.9852 64.3741 37.0163 178.1710 11 Q 4.0249 8.2066 120.5910 59.5089 28.6261 177.7582 12 H 4.3933 8.1060 119.4328 58.8647 30.0547 177.1052 13 V 3.8437 7.9304 120.0532 65.6339 31.3668 177.8227 14 W 4.0609 8.8603 129.0046 60.2574 30.3646 177.7358 15 E 3.9339 8.4076 117.4397 58.8678 28.9193 179.4039 16 K 4.0889 7.6493 119.9995 59.1809 32.1481 179.2514 17 V 2.0000 6.8717 117.9019 65.4041 31.0580 177.8558 18 L 3.7393 6.9889 116.9184 57.1451 41.4112 178.7909 19 E 4.0782 7.4615 117.4716 58.0809 30.6373 176.6034 20 H 5.0395 8.0621 116.5610 53.3247 30.2216 174.4693 21 Q 3.9709 8.2971 121.9988 59.3547 28.9267 178.9798 22 E 4.0111 8.1897 118.5620 59.5661 29.6558 178.7884 23 D 4.3600 8.1881 118.1808 57.5315 40.9656 178.7606 24 F 3.9146 8.6037 118.0887 60.4992 39.0003 177.8488 25 G 3.8535 8.5307 105.0629 48.0779 0.0000 175.4383 26 A 4.0921 8.4411 124.0140 54.7188 18.3756 179.3798 27 E 3.8245 8.4100 117.6760 59.2036 29.7132 178.8953 28 A 4.0038 8.1697 120.8633 55.1778 18.4363 179.6265 29 L 3.4942 7.9491 117.4315 57.9118 41.5189 179.6974 30 E 4.1064 8.4064 118.7426 59.4113 29.3504 179.6593 31 R 3.9101 8.0844 118.2735 59.2397 30.0597 178.7502 32 M 4.2169 7.8679 117.9741 58.8605 32.1445 178.3438 33 F 4.6432 7.9695 118.0886 60.6000 38.7940 177.7918 34 I 3.8475 7.8341 118.6796 64.2646 37.1986 178.2597 35 V 3.5866 8.0142 118.2661 64.4529 32.8312 175.7991 36 Y 4.8541 8.0923 116.0815 54.4049 38.0562 173.9779 37 P 4.6396 0.0000 0.0000 65.4811 31.3006 178.3486 38 S 4.2123 8.3509 112.4019 61.4453 62.3148 175.9265 39 T 4.3978 8.5773 112.4677 64.3507 68.4975 176.5653 40 K 4.0834 8.4396 121.9252 59.1521 31.7916 178.5883 41 T 4.0721 7.6823 108.4760 63.6601 68.7826 175.2420 42 Y 4.1299 7.9460 118.3275 58.6841 39.1474 175.1587 43 F 4.7030 8.1884 119.4993 55.9220 39.6294 175.2543 44 P 4.3606 0.0000 0.0000 65.7763 31.6114 177.2069 45 H 4.5919 8.4477 112.3869 56.4999 29.1154 174.9633 46 F 4.9164 7.8362 119.6861 56.1670 40.1887 174.8533 47 D 4.5966 8.9355 124.6704 53.9969 41.1418 175.9326 48 L 4.6024 8.3076 126.3695 54.9450 42.3008 176.5344 49 H 4.4374 8.5160 116.5911 55.1509 29.3524 174.5250 50 H 4.6074 8.7726 120.3652 57.6252 29.7754 174.3142 51 D 4.3760 9.2210 125.2702 55.0481 39.1671 174.8029 52 S 4.2732 7.6725 113.7057 58.2304 64.7328 174.1717 53 E 3.7613 8.5665 123.2914 59.7375 29.3859 179.2498 54 Q 3.6313 7.7462 117.4201 58.7527 28.5838 178.7300 55 I 3.9558 7.6823 120.9148 64.4282 37.2090 178.7397 56 R 3.9731 8.0782 118.9053 59.6712 30.0388 178.8965 57 H 4.3510 8.4402 116.2491 59.1779 28.6036 177.4415 58 H 4.5599 8.6142 120.3675 59.0800 29.7635 177.4474 59 G 3.7364 8.6660 108.1671 47.8199 0.0000 175.5231 60 K 4.0603 8.2693 122.1071 59.1491 32.2173 179.0697 61 K 4.0286 8.0275 118.5962 59.3517 31.9954 179.4704 62 V 3.6074 8.1413 118.8867 66.1456 31.4448 178.3003 63 V 3.9664 8.0782 118.1225 65.9422 31.3345 178.1898 64 G 3.6951 8.5502 105.7607 47.7911 0.0000 175.5880 65 A 4.2239 8.2824 123.2723 54.9629 18.3937 179.7818 66 L 4.0741 8.2881 117.7161 57.7170 41.7558 179.9803 67 G 3.7004 8.5941 106.0791 47.9608 0.0000 175.5914 68 D 4.4479 8.2540 121.1184 56.9431 40.5609 178.6926 69 A 4.0095 7.7589 120.7398 55.0719 18.4464 179.4727 70 V 3.2831 7.4051 115.8127 65.8075 31.5334 178.1662 71 K 4.0164 7.6653 116.6648 59.1058 33.1287 179.0087 72 H 4.8268 8.1420 116.4947 54.9906 27.3165 176.5397 73 I 3.8051 7.5648 121.0269 63.7119 38.4815 175.8203 74 D 4.6310 7.9326 117.6335 54.9434 41.8734 175.4375 75 N 5.0607 7.9876 118.0928 51.9417 39.3681 175.4386 76 L 3.8741 7.9513 121.7585 58.0281 42.0044 178.7028 77 S 3.9879 8.0569 110.9479 61.6595 62.2769 175.8322 78 A 4.1054 7.8689 122.4472 55.5872 18.0146 179.6099 79 T 3.8149 7.7111 112.9838 65.7868 68.6775 175.9771 80 L 4.5518 7.7729 118.9444 54.3344 42.0370 177.9623 81 S 4.0976 7.4883 117.3527 61.0018 62.2041 176.2438 82 E 3.9934 8.1451 120.3284 59.6149 29.1868 179.3432 83 L 4.1341 7.8578 118.6333 57.5490 41.6022 179.4844 84 S 3.9825 8.4113 114.9653 61.3476 62.9118 176.3848 85 N 4.1524 8.2141 120.1691 55.6558 38.1961 177.1357 86 L 3.9437 7.8893 121.7787 58.7362 42.2067 178.9453 87 H 4.1433 8.5256 115.9153 58.2304 28.1061 177.6413 88 A 3.8023 7.4878 123.6984 54.1243 18.4210 179.2736 89 Y 4.3280 7.3645 113.6897 61.1554 38.4102 177.1643 90 N 4.5479 8.2834 116.4814 56.2679 39.3636 175.9376 91 L 4.2130 8.0923 116.0731 55.0440 42.3968 176.9644 92 R 4.2211 8.0777 115.6731 55.8166 27.5931 176.8066 93 V 3.7717 8.1862 116.9873 62.3823 32.4349 174.9211 94 D 4.3724 9.1113 127.8784 53.5550 41.9153 174.9760 95 P 4.4674 0.0000 0.0000 66.0086 31.8276 178.4664 96 V 3.5978 8.0720 117.3211 66.2410 31.2018 177.8692 97 N 4.2821 8.1999 115.9874 55.8710 38.1901 177.4066 98 F 4.3090 7.6456 119.2879 60.4519 38.8723 177.7787 99 K 4.0479 8.0517 117.7754 59.2623 31.8693 179.3098 100 L 3.7195 7.5459 119.0786 57.6114 41.4149 179.3165 101 L 4.0033 8.0820 120.3716 58.0966 42.0354 179.0625 102 S 4.2213 8.3527 115.3463 61.9275 62.8020 176.1657 103 H 4.2619 8.5361 120.9391 59.6761 29.6538 177.1440 104 C 4.1909 8.4324 118.5660 62.6661 27.8502 175.9031 105 F 4.1191 8.7306 122.8121 61.4036 38.9490 177.2543 106 Q 3.8940 8.3951 117.7590 58.8029 28.3662 178.9883 107 V 3.4328 7.5815 119.4781 65.7235 31.5564 178.2539 108 V 3.3799 7.5460 117.9950 65.8830 31.2880 177.9546 109 L 3.8657 7.5744 118.8368 57.6049 41.2762 179.7619 110 G 3.2282 7.6556 105.6537 47.6503 0.0000 175.5917 111 A 3.8774 7.8118 122.5421 55.0705 18.4262 179.0611 112 H 4.2460 8.0178 113.5309 57.8560 29.2258 177.0562 113 L 4.4844 8.3454 120.1424 53.1504 42.5233 178.2376 114 G 3.7384 8.8706 107.6728 45.9616 0.0000 175.8532 115 R 3.8580 9.1038 122.7258 59.4146 29.5475 176.8248 116 E 4.2005 8.2085 115.1457 58.1572 30.1420 177.0725 117 Y 4.4201 8.1744 123.1499 56.4619 37.2536 174.5263 118 T 4.3139 7.4551 115.7533 59.9704 71.7055 173.6261 119 P 4.1705 0.0000 0.0000 65.7946 31.2520 179.0497 120 Q 3.9482 7.9241 116.5177 58.8802 28.6570 178.7500 121 V 3.6127 7.5328 119.0481 65.7658 31.5383 177.8773 122 Q 3.8286 7.8613 121.0265 58.4608 28.8052 178.3346 123 V 3.5785 8.0441 119.2903 65.9560 31.5455 177.6788 124 A 3.9525 7.8869 120.2604 55.7007 18.2811 179.3563 125 Y 4.0219 8.3497 115.1588 60.9464 37.9137 178.0984 126 D 4.4634 8.8911 119.6444 57.3105 41.4054 178.4287 127 K 3.9586 8.3602 119.1904 59.3834 32.0601 179.0363 128 F 4.1381 8.3122 120.7297 61.5043 39.3314 177.2387 129 L 3.5855 8.5901 118.6400 57.5143 41.3356 179.4584 130 A 3.9203 8.1986 120.7488 54.8288 18.3663 179.6096 131 A 3.7993 7.9311 119.4157 55.1996 18.4614 180.0089 132 V 3.2288 7.3817 116.7700 66.1253 31.2796 178.4187 133 S 3.5538 7.7122 113.5703 61.3123 62.7966 176.1657 134 A 4.0209 7.9142 123.4755 55.1099 18.1620 179.9249 135 V 3.6733 7.3522 117.7854 65.5163 31.4421 178.1329 136 L 3.8773 7.5094 116.6336 56.1160 41.5536 178.0211 137 A 4.5438 7.0025 119.7543 51.4264 19.5915 177.5049 138 E 3.9910 7.8332 117.2007 58.7871 29.8235 178.7763 139 K 4.2240 7.5486 117.0418 57.5919 32.1690 176.8803 140 Y 4.6886 7.8180 117.4281 58.4365 38.5977 175.9550 141 R 4.2742 7.7849 121.3728 56.1587 29.5995 175.1773 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 8.30 4.42 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 L 8.21 4.07 0.00 1.69 1.57 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.64 4.37 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 4 E 8.49 3.97 0.00 1.98 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 2.38 2.32 0.00 5 D 7.98 4.34 0.00 2.74 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 6 D 8.07 4.31 0.00 2.88 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 7 K 8.00 3.79 0.00 1.90 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.62 7.81 8 Q 8.13 3.96 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 9 L 8.10 4.06 0.00 1.82 1.75 0.90 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 10 I 7.87 3.51 1.68 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.40 0.19 0.00 0.00 11 Q 8.21 4.02 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 H 8.11 4.39 0.00 3.29 3.56 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.93 3.84 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 1.01 0.00 0.00 1.23 0.00 0.00 14 W 8.86 4.06 0.00 3.68 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 15 E 8.41 3.93 0.00 2.22 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 2.56 2.29 0.00 16 K 7.65 4.09 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.36 7.81 17 V 6.87 2.00 0.67 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 0.04 0.00 0.00 0.22 0.00 0.00 18 L 6.99 3.74 0.00 1.44 1.60 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.46 4.08 0.00 1.99 1.66 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 2.23 2.40 0.00 20 H 8.06 5.04 0.00 3.54 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.30 3.97 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 22 E 8.19 4.01 0.00 2.06 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 2.71 2.46 0.00 23 D 8.19 4.36 0.00 2.84 2.60 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 24 F 8.60 3.91 0.00 3.03 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 25 G 8.53 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 26 A 8.44 4.09 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 27 E 8.41 3.82 0.00 2.07 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 2.22 2.25 0.00 28 A 8.17 4.00 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 0.00 0.00 0.00 0.00 0.00 29 L 7.95 3.49 0.00 1.79 1.30 1.06 0.55 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 30 E 8.41 4.11 0.00 2.10 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 2.51 2.59 0.00 31 R 8.08 3.91 0.00 1.99 1.96 0.00 3.06 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 32 M 7.87 4.22 0.00 1.86 1.99 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 2.69 2.65 0.00 33 F 7.97 4.64 0.00 3.24 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 34 I 7.83 3.85 1.94 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 1.44 0.65 0.89 0.00 0.00 35 V 8.01 3.59 1.64 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 -0.08 0.00 0.00 0.85 0.00 0.00 36 Y 8.09 4.85 0.00 3.17 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 37 P 0.00 4.64 0.00 2.31 2.39 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 38 S 8.35 4.21 0.00 3.99 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 39 T 8.58 4.40 4.52 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 1.37 0.00 0.00 40 K 8.44 4.08 0.00 1.96 1.80 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.70 7.81 41 T 7.68 4.07 4.13 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 0.00 0.00 0.00 1.24 0.00 0.00 42 Y 7.95 4.13 0.00 3.12 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 43 F 8.19 4.70 0.00 2.75 2.45 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 44 P 0.00 4.36 0.00 2.20 2.19 0.00 3.88 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 2.05 1.94 0.00 45 H 8.45 4.59 0.00 3.45 3.51 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.84 4.92 0.00 3.07 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 47 D 8.94 4.60 0.00 2.64 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 48 L 8.31 4.60 0.00 1.52 1.45 0.47 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.52 4.44 0.00 3.32 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.77 4.61 0.00 3.08 3.29 0.00 5.90 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 51 D 9.22 4.38 0.00 2.54 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 52 S 7.67 4.27 0.00 4.04 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 53 E 8.57 3.76 0.00 1.95 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 2.08 2.11 0.00 54 Q 7.75 3.63 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 55 I 7.68 3.96 2.05 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 1.79 0.80 1.09 0.00 0.00 56 R 8.08 3.97 0.00 1.83 2.25 0.00 3.34 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 57 H 8.44 4.35 0.00 3.24 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.61 4.56 0.00 3.78 3.71 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.67 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 0.00 0.00 0.00 60 K 8.27 4.06 0.00 1.89 2.06 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.66 7.81 61 K 8.03 4.03 0.00 2.12 1.94 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.73 7.81 62 V 8.14 3.61 2.26 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 1.01 0.00 0.00 0.89 0.00 0.00 63 V 8.08 3.97 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 1.00 0.00 0.00 1.28 0.00 0.00 64 G 8.55 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 65 A 8.28 4.22 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 66 L 8.29 4.07 0.00 2.14 1.64 0.49 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.59 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 68 D 8.25 4.45 0.00 2.88 2.73 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 69 A 7.76 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 70 V 7.41 3.28 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 0.46 0.00 0.00 -0.41 0.00 0.00 71 K 7.67 4.02 0.00 2.05 1.72 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.60 7.81 72 H 8.14 4.83 0.00 3.19 3.26 0.00 5.82 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.56 3.81 1.99 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 1.44 0.86 0.87 0.00 0.00 74 D 7.93 4.63 0.00 2.68 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 75 N 7.99 5.06 0.00 2.75 2.68 0.00 0.00 7.07 6.14 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 76 L 7.95 3.87 0.00 1.66 1.61 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.06 3.99 0.00 3.80 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 78 A 7.87 4.11 1.34 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 0.00 0.00 0.00 0.00 0.00 79 T 7.71 3.81 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 1.09 0.00 0.00 80 L 7.77 4.55 0.00 1.56 1.54 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.49 4.10 0.00 4.04 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 82 E 8.15 3.99 0.00 2.02 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 0.00 2.40 2.36 0.00 83 L 7.86 4.13 0.00 1.79 1.72 0.92 0.92 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 84 S 8.41 3.98 0.00 3.88 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 85 N 8.21 4.15 0.00 2.99 3.13 0.00 0.00 6.60 6.14 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 86 L 7.89 3.94 0.00 1.89 1.86 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.53 4.14 0.00 3.31 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.49 3.80 0.37 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 89 Y 7.36 4.33 0.00 3.14 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 90 N 8.28 4.55 0.00 2.73 3.07 0.00 0.00 6.97 7.78 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 91 L 8.09 4.21 0.00 1.83 1.74 0.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.08 4.22 0.00 2.01 2.08 0.00 3.59 0.00 0.00 2.95 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 93 V 8.19 3.77 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.72 0.00 0.00 94 D 9.11 4.37 0.00 2.76 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 95 P 0.00 4.47 0.00 2.25 2.28 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 96 V 8.07 3.60 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 0.96 0.00 0.00 0.94 0.00 0.00 97 N 8.20 4.28 0.00 2.44 2.56 0.00 0.00 6.98 7.65 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 98 F 7.65 4.31 0.00 3.24 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 99 K 8.05 4.05 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 100 L 7.55 3.72 0.00 1.61 1.22 0.65 0.16 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 0.00 101 L 8.08 4.00 0.00 1.76 1.71 0.94 0.90 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 0.00 102 S 8.35 4.22 0.00 4.17 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 0.00 103 H 8.54 4.26 0.00 3.34 3.59 0.00 5.78 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 0.00 104 C 8.43 4.19 0.00 3.23 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 0.00 105 F 8.73 4.12 0.00 3.33 3.33 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 0.00 106 Q 8.40 3.89 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 107 V 7.58 3.43 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 0.99 0.00 0.00 0.85 0.00 0.00 108 V 7.55 3.38 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 0.70 0.00 0.00 0.94 0.00 0.00 109 L 7.57 3.87 0.00 1.24 0.95 0.02 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.66 3.23 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 0.00 111 A 7.81 3.88 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 0.00 112 H 8.02 4.25 0.00 3.17 3.36 0.00 5.65 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 0.00 113 L 8.35 4.48 0.00 1.82 1.82 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.87 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 0.00 0.00 0.00 115 R 9.10 3.86 0.00 1.80 2.04 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 116 E 8.21 4.20 0.00 2.24 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 0.00 2.39 2.29 0.00 117 Y 8.17 4.42 0.00 3.00 2.92 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 0.00 118 T 7.46 4.31 4.34 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 0.00 0.00 1.27 0.00 0.00 119 P 0.00 4.17 0.00 2.16 2.13 0.00 3.58 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 2.11 2.18 0.00 120 Q 7.92 3.95 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 121 V 7.53 3.61 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 1.12 0.00 0.00 1.01 0.00 0.00 122 Q 7.86 3.83 0.00 1.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 123 V 8.04 3.58 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 1.04 0.00 0.00 1.00 0.00 0.00 124 A 7.89 3.95 1.36 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 0.00 125 Y 8.35 4.02 0.00 3.43 3.37 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 0.00 126 D 8.89 4.46 0.00 2.95 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 0.00 127 K 8.36 3.96 0.00 2.04 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.63 7.81 128 F 8.31 4.14 0.00 2.91 3.15 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 0.00 0.00 0.00 129 L 8.59 3.59 0.00 1.82 1.71 1.33 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.20 3.92 1.36 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 0.00 131 A 7.93 3.80 1.28 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 0.00 132 V 7.38 3.23 1.71 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 0.70 0.00 0.00 0.12 0.00 0.00 133 S 7.71 3.55 0.00 3.91 3.81 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 0.00 134 A 7.91 4.02 1.30 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 0.00 0.00 135 V 7.35 3.67 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 1.02 0.00 0.00 0.83 0.00 0.00 136 L 7.51 3.88 0.00 0.50 0.96 0.54 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.00 4.54 1.43 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 0.00 0.00 0.00 138 E 7.83 3.99 0.00 2.14 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 0.00 2.42 2.17 0.00 139 K 7.55 4.22 0.00 1.06 1.29 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.11 7.81 140 Y 7.82 4.69 0.00 3.19 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 0.00 141 R 7.78 4.27 0.00 1.91 1.90 0.00 3.11 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00