NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4492 8.1514 120.3335 54.8962 33.5915 175.5016 18 G 3.5726 8.6172 108.6489 47.4916 0.0000 173.9243 19 L 3.9815 8.7704 124.2607 57.6464 42.4325 177.3774 20 E 3.9710 8.1350 117.7224 59.5548 29.5396 178.7101 21 D 4.4180 8.0963 119.2598 56.8186 41.1648 178.4023 22 K 3.9982 8.5264 119.4845 59.3949 32.0110 179.5475 23 V 3.6075 8.1428 119.1890 65.7834 31.0238 178.3232 24 S 4.0218 8.5254 114.5777 61.2202 62.8125 176.6683 25 K 4.0926 8.1820 122.2343 58.9173 31.5256 179.0255 26 Q 3.9833 7.6042 119.2891 59.2390 29.3020 178.0177 27 L 4.1233 7.7150 119.6969 58.1801 41.7243 179.3177 28 E 4.1849 8.6331 118.5293 59.6488 29.2624 179.4706 29 S 4.3584 8.6640 112.9974 59.9799 63.2297 175.3569 30 K 4.5259 8.2534 120.8235 54.9879 33.1852 175.8815 31 G 3.8206 7.9778 107.1729 46.5410 0.0000 174.1195 32 I 3.9689 7.9444 120.8791 60.4232 37.4315 177.0978 33 K 4.1362 8.5923 128.0854 55.3272 30.3146 175.4034 34 F 5.0484 7.7217 118.7861 54.4503 40.7773 175.0467 35 E 4.6865 8.9067 119.9219 54.6511 31.3520 175.0132 36 Y 4.7404 8.5446 124.0716 57.5008 40.8142 175.8914 37 E 3.5500 8.1341 128.2695 57.5472 26.9168 174.4409 38 E 4.0969 7.8347 120.8673 56.3446 31.6323 175.5889 39 W 4.8761 7.8651 116.5579 54.6140 31.6018 175.0254 40 K 4.4314 8.7988 121.7613 54.6870 32.5106 176.2937 41 V 4.0021 8.3458 124.9438 61.3004 31.6673 173.8955 42 P 4.6484 0.0000 0.0000 62.7182 32.0212 174.9030 43 Y 4.6742 7.6730 117.9117 56.6466 40.1914 173.3204 44 S 4.2175 8.4908 113.7829 56.2399 64.9727 173.0454 45 N 4.7493 8.3246 124.4108 52.5227 39.6824 173.5268 46 N 5.0537 8.5903 121.7705 51.0949 39.7955 173.3536 47 Q 4.7219 8.4075 118.1795 53.9904 32.6041 174.5404 48 Q 4.4972 8.3813 116.0562 54.4627 30.4450 175.2695 49 N 4.7119 8.5710 120.1973 52.8314 39.5851 174.3383 50 Y 4.3728 8.3390 117.0181 56.5010 40.5347 175.2224 51 S 4.6923 8.5467 121.8146 56.4378 64.3272 174.6448 52 S 4.3398 8.4486 120.3966 58.7825 63.4715 172.8747 53 H 5.0579 8.3485 118.6821 55.0034 32.9005 172.4844 54 T 4.7769 8.2028 109.0952 60.3379 71.4563 172.5719 55 Y 4.7306 8.5111 123.6714 56.1735 41.1429 174.7458 56 T 4.1193 8.1871 124.1300 61.1035 68.9878 173.0122 57 P 4.2517 0.0000 0.0000 62.2693 32.2345 176.9429 58 D 4.2783 8.6104 121.0289 57.0192 41.0397 177.0228 59 F 4.7837 8.8181 116.7443 55.4486 42.5652 174.3457 60 L 4.5792 8.1490 123.0911 52.9200 43.0782 176.1507 61 L 4.3019 8.3517 126.3209 53.6107 42.2613 177.0756 62 P 4.3241 0.0000 0.0000 65.3225 31.4210 177.3592 63 N 4.5849 7.9839 113.9461 52.4575 38.0109 175.6372 64 G 3.9773 8.1586 108.2134 45.9971 0.0000 174.9531 65 I 3.9200 7.9391 120.5769 62.1530 38.3287 175.2089 66 F 5.1100 9.6454 125.9479 55.9723 40.9921 174.9049 67 V 4.9846 9.0161 123.9739 61.0801 34.4697 173.8466 68 E 5.2031 9.2342 128.0942 54.5406 32.2247 175.0629 69 T 4.6663 8.8292 117.4610 61.8462 70.3274 174.1554 70 K 4.1152 8.8746 123.2846 57.2731 35.8789 173.8693 71 G 3.8773 9.1571 116.2209 45.9172 0.0000 174.8246 72 L 4.4826 8.7903 118.6456 55.2501 43.8274 176.3824 73 W 4.9920 8.0621 128.6566 55.9597 31.9916 174.1321 74 E 4.2539 7.9140 123.0861 54.9181 31.5623 176.5373 75 S 3.6769 8.4745 114.1968 61.9446 62.1633 176.3345 76 D 4.1619 7.7384 120.6951 57.4831 40.8240 178.1415 77 D 4.2231 7.7211 117.8671 56.9345 41.2456 178.3143 78 R 2.8708 7.3565 118.8990 58.6699 29.9447 178.8542 79 K 3.8161 7.8797 118.4842 59.5431 32.0264 178.9976 80 K 3.7776 7.7050 119.3087 59.8578 31.9664 178.1469 81 H 3.9023 7.9109 117.9593 59.3211 29.8651 177.2935 82 L 4.1099 8.0750 120.7928 57.5912 41.4003 179.1073 83 L 4.3845 8.2702 122.0327 57.9096 42.1150 178.9467 84 I 3.7153 7.9613 119.7837 64.4702 36.7825 178.4314 85 R 3.8634 7.7089 118.5407 59.4085 30.1735 178.1113 86 E 4.0990 8.1829 118.2661 59.8208 29.3523 179.5980 87 Q 4.1159 8.0238 116.3974 57.8160 30.4588 176.5944 88 H 5.5813 8.3438 115.9521 52.3657 28.9638 172.3644 89 P 4.3052 0.0000 0.0000 65.3453 32.0723 178.3432 90 E 4.1225 8.2094 115.2503 57.1067 29.7473 175.6517 91 L 4.6267 7.4484 120.2960 53.0880 43.4730 175.5001 92 D 4.6277 8.5228 123.6854 53.3870 41.9771 174.9834 93 I 5.1062 8.2501 126.9259 59.8256 39.8290 175.4710 94 R 4.7716 9.4410 126.5595 54.5160 33.5582 175.1997 95 I 4.9200 8.5701 120.1003 59.6273 41.0013 175.3654 96 V 4.7692 8.5119 126.3516 61.3279 33.0710 174.7378 97 F 4.9746 9.1979 127.3210 56.9090 40.4255 177.4624 98 S 4.2782 9.1906 117.7781 61.7945 64.1206 174.2193 99 S 4.6882 8.0956 113.6952 57.4398 62.8890 174.8373 100 S 3.7701 9.7367 124.7402 60.4066 62.8645 177.0885 101 R 3.8772 7.4101 119.6769 58.7500 30.1060 177.2314 102 T 3.6502 7.7643 116.6953 62.9579 68.5757 174.3087 103 K 4.2591 8.0949 125.8905 56.1206 32.8287 176.7988 104 L 4.5280 7.9610 122.1798 58.2935 42.0070 177.5944 105 Y 4.7445 7.0451 112.5095 55.4282 40.0907 173.5033 106 K 3.9272 8.8129 120.8659 58.6322 32.5105 175.5728 107 G 4.0999 8.9547 111.5254 45.8236 0.0000 174.1949 108 S 3.8354 6.9496 113.4864 57.6308 62.5110 172.2881 109 P 4.4108 0.0000 0.0000 63.8709 32.0224 176.0733 110 T 4.6780 7.6696 117.0076 62.4008 70.2913 173.5312 111 S 4.9582 8.1938 117.4957 55.9666 67.3835 174.7273 112 Y 4.5573 8.2878 119.8232 61.3043 37.3828 179.4386 113 G 2.3072 7.5191 106.2853 47.4450 0.0000 175.4673 114 E 4.7595 7.7342 122.8943 58.2007 29.5327 179.0574 115 F 4.1641 8.5008 120.8549 61.8946 39.5673 176.9073 116 C 4.0889 8.3824 116.0892 62.8412 27.7954 176.0498 117 E 4.0998 8.5403 120.4454 59.5115 28.9137 179.4039 118 K 3.9788 8.2944 118.5329 59.3427 32.3166 177.5345 119 H 4.5543 7.8722 113.7251 55.1558 28.9294 176.4113 120 G 3.9588 7.8807 109.6999 45.2794 0.0000 174.0963 121 I 3.9204 7.3898 120.9339 61.2961 37.7733 176.0081 122 K 4.5050 8.8347 127.8355 55.9871 32.9005 176.1455 123 F 5.9431 9.0571 119.2931 55.4453 41.5721 173.4112 124 A 4.4604 9.3801 119.7610 51.2349 23.0998 174.4650 125 D 5.3288 8.3481 118.1228 54.0481 42.9331 177.2720 126 K 3.9912 9.4672 126.5709 57.7191 31.6893 175.5757 127 L 4.6139 7.1086 113.5106 52.5045 45.6460 176.3317 128 I 3.4027 7.9677 120.8641 60.2628 36.5283 174.8537 129 P 3.8194 0.0000 0.0000 62.5553 32.8154 177.2179 130 A 3.9641 8.4127 122.7494 54.8731 18.3612 180.1017 131 E 3.9064 7.9853 117.0199 59.5019 29.4573 178.8833 132 W 5.2601 8.1364 118.1870 59.7103 29.2580 178.0304 133 I 3.8608 7.4852 118.3928 64.5372 36.5965 178.0653 134 K 4.1874 7.7482 117.8456 57.4149 32.7307 177.3291 135 E 3.8743 7.7607 118.2428 55.5259 30.0496 174.9207 136 P 4.4408 0.0000 0.0000 62.5558 31.6527 175.9760 137 K 4.2051 8.6414 124.7452 57.0529 32.7155 175.5634 138 K 4.7551 8.8014 123.3845 54.9457 35.6464 175.9631 139 E 4.1886 8.9600 121.8472 56.7752 30.3294 176.4169 140 V 4.1912 8.0793 121.5172 60.4708 34.5538 174.8675 141 P 4.5846 0.0000 0.0000 61.1588 30.2178 176.8226 142 F 4.2750 7.7209 120.4789 61.2411 39.6921 177.8814 143 D 4.4284 8.2845 119.6152 57.5743 40.7388 177.9803 144 R 4.0506 7.8016 116.9092 58.6152 30.3439 177.2025 145 L 4.6470 7.3919 116.1332 53.0792 43.2855 175.8366 146 K 4.6152 8.3394 121.0263 54.6606 33.9375 176.6987 147 R 4.3955 8.2833 119.4556 54.8085 30.8865 176.5437 148 K 4.1428 8.4457 117.1766 57.3322 32.5995 176.7949 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 17 M 8.15 4.45 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 18 G 8.62 3.57 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 0.00 0.00 0.00 19 L 8.77 3.98 0.00 1.77 1.70 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.14 3.97 0.00 2.31 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 2.45 2.41 0.00 21 D 8.10 4.42 0.00 2.74 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 22 K 8.53 4.00 0.00 1.94 1.83 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 23 V 8.14 3.61 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 0.93 0.00 0.00 0.91 0.00 0.00 24 S 8.53 4.02 0.00 4.08 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 25 K 8.18 4.09 0.00 1.84 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.45 1.57 7.81 26 Q 7.60 3.98 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 L 7.71 4.12 0.00 1.89 1.88 -0.60 0.86 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 28 E 8.63 4.18 0.00 2.24 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 2.41 2.79 0.00 29 S 8.66 4.36 0.00 3.99 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 0.00 30 K 8.25 4.53 0.00 1.84 1.88 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 31 G 7.98 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 0.00 0.00 0.00 32 I 7.94 3.97 2.15 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 1.55 0.91 1.07 0.00 0.00 33 K 8.59 4.14 0.00 1.72 1.77 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 34 F 7.72 5.05 0.00 3.18 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 35 E 8.91 4.69 0.00 2.17 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 2.30 2.39 0.00 36 Y 8.54 4.74 0.00 3.20 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 37 E 8.13 3.55 0.00 1.45 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 1.82 1.47 0.00 38 E 7.83 4.10 0.00 1.86 1.77 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 2.04 1.47 0.00 39 W 7.87 4.88 0.00 3.33 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 40 K 8.80 4.43 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 41 V 8.35 4.00 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 0.83 0.00 0.00 0.97 0.00 0.00 42 P 0.00 4.65 0.00 2.13 1.99 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 43 Y 7.67 4.67 0.00 3.05 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 44 S 8.49 4.22 0.00 3.86 3.76 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 45 N 8.32 4.75 0.00 2.70 2.68 0.00 0.00 7.05 7.79 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 46 N 8.59 5.05 0.00 2.83 2.77 0.00 0.00 5.92 7.39 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 47 Q 8.41 4.72 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 48 Q 8.38 4.50 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.05 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 49 N 8.57 4.71 0.00 2.70 2.79 0.00 0.00 6.93 7.46 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 50 Y 8.34 4.37 0.00 2.87 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 51 S 8.55 4.69 0.00 3.80 3.61 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 8.45 4.34 0.00 3.99 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 53 H 8.35 5.06 0.00 3.12 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.20 4.78 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 1.25 0.00 0.00 55 Y 8.51 4.73 0.00 2.82 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 56 T 8.19 4.12 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 1.13 0.00 0.00 57 P 0.00 4.25 0.00 2.28 2.15 0.00 3.58 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.72 0.00 58 D 8.61 4.28 0.00 3.02 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 59 F 8.82 4.78 0.00 3.04 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 60 L 8.15 4.58 0.00 1.02 1.35 -0.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.35 4.30 0.00 1.99 1.60 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.32 0.00 2.05 2.13 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 63 N 7.98 4.58 0.00 2.96 3.13 0.00 0.00 6.42 6.93 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 64 G 8.16 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 65 I 7.94 3.92 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.80 0.00 0.00 66 F 9.65 5.11 0.00 3.06 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 67 V 9.02 4.98 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 1.16 0.00 0.00 1.18 0.00 0.00 68 E 9.23 5.20 0.00 2.32 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 2.45 2.33 0.00 69 T 8.83 4.67 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 1.45 0.00 0.00 70 K 8.87 4.12 0.00 1.50 0.95 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.77 1.49 7.81 71 G 9.16 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 72 L 8.79 4.48 0.00 1.73 1.71 1.12 1.02 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 73 W 8.06 4.99 0.00 2.76 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 0.00 0.00 0.00 0.00 74 E 7.91 4.25 0.00 2.14 1.81 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 2.47 2.40 0.00 75 S 8.47 3.68 0.00 3.67 3.72 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 76 D 7.74 4.16 0.00 2.62 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 77 D 7.72 4.22 0.00 2.63 2.32 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 78 R 7.36 2.87 0.00 1.42 1.23 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 79 K 7.88 3.82 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.36 7.81 80 K 7.71 3.78 0.00 1.74 1.85 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.36 7.81 81 H 7.91 3.90 0.00 3.46 3.55 0.00 5.64 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 82 L 8.08 4.11 0.00 1.95 1.76 1.14 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.27 4.38 0.00 1.88 1.76 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.96 3.72 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.94 0.00 0.00 85 R 7.71 3.86 0.00 2.01 2.16 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 86 E 8.18 4.10 0.00 2.14 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 2.34 2.68 0.00 87 Q 8.02 4.12 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.23 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 88 H 8.34 5.58 0.00 3.32 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.31 0.00 2.16 2.17 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 90 E 8.21 4.12 0.00 2.11 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 2.32 2.25 0.00 91 L 7.45 4.63 0.00 1.63 1.27 0.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.52 4.63 0.00 2.73 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 93 I 8.25 5.11 1.91 0.00 0.00 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 1.24 0.66 1.11 0.00 0.00 94 R 9.44 4.77 0.00 1.27 1.60 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.21 0.00 95 I 8.57 4.92 1.51 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.82 -0.55 0.00 0.00 96 V 8.51 4.77 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 1.01 0.00 0.00 0.87 0.00 0.00 97 F 9.20 4.97 0.00 3.20 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 98 S 9.19 4.28 0.00 3.90 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 99 S 8.10 4.69 0.00 3.83 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 0.00 100 S 9.74 3.77 0.00 3.64 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 0.00 101 R 7.41 3.88 0.00 1.74 1.97 0.00 3.16 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 102 T 7.76 3.65 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 0.92 0.00 0.00 103 K 8.09 4.26 0.00 1.53 1.62 0.00 1.84 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.25 7.81 104 L 7.96 4.53 0.00 1.64 1.96 0.99 0.59 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 0.00 105 Y 7.05 4.74 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 3.93 0.00 1.82 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.44 7.81 107 G 8.95 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 0.00 0.00 0.00 108 S 6.95 3.84 0.00 2.72 3.13 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 0.00 109 P 0.00 4.41 0.00 2.18 2.10 0.00 3.70 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 1.94 1.96 0.00 110 T 7.67 4.68 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 1.31 0.00 0.00 111 S 8.19 4.96 0.00 4.13 3.80 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 0.00 112 Y 8.29 4.56 0.00 2.38 1.78 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 0.00 113 G 7.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.73 4.76 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 2.35 2.16 0.00 115 F 8.50 4.16 0.00 3.25 3.44 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 0.00 116 C 8.38 4.09 0.00 2.94 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.10 0.00 2.21 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 0.00 2.66 2.81 0.00 118 K 8.29 3.98 0.00 1.79 2.01 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.48 7.81 119 H 7.87 4.55 0.00 2.78 3.18 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.88 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 0.00 121 I 7.39 3.92 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 1.03 0.00 0.00 122 K 8.83 4.50 0.00 1.46 1.50 0.00 1.39 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.39 7.81 123 F 9.06 5.94 0.00 3.71 3.34 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 0.00 124 A 9.38 4.46 0.72 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 0.00 0.00 125 D 8.35 5.33 0.00 2.54 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 0.00 126 K 9.47 3.99 0.00 1.81 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 127 L 7.11 4.61 0.00 1.42 1.36 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.97 3.40 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.24 0.87 0.00 0.00 129 P 0.00 3.82 0.00 0.82 1.49 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.54 0.00 130 A 8.41 3.96 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 0.00 131 E 7.99 3.91 0.00 2.00 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 2.41 2.36 0.00 132 W 8.14 5.26 0.00 3.32 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 I 7.49 3.86 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.93 0.00 0.00 134 K 7.75 4.19 0.00 1.87 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.67 7.81 135 E 7.76 3.87 0.00 2.19 1.93 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 2.39 2.71 0.00 136 P 0.00 4.44 0.00 2.18 2.09 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 K 8.64 4.21 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 138 K 8.80 4.76 0.00 1.72 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.42 7.81 139 E 8.96 4.19 0.00 1.88 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 2.33 2.29 0.00 140 V 8.08 4.19 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 0.00 0.00 0.33 0.00 0.00 0.86 0.00 0.00 141 P 0.00 4.58 0.00 2.22 2.15 0.00 3.59 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 1.94 1.91 0.00 142 F 7.72 4.28 0.00 3.25 3.17 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 0.00 143 D 8.28 4.43 0.00 2.70 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 0.00 144 R 7.80 4.05 0.00 1.97 2.10 0.00 3.33 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 145 L 7.39 4.65 0.00 1.79 1.68 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.34 4.62 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 147 R 8.28 4.40 0.00 1.91 1.93 0.00 3.02 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 148 K 8.45 4.14 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81