NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6175 8.3049 120.6082 55.4479 33.7477 174.1942 2 E 4.5166 8.7167 125.9409 53.9855 31.6646 174.2807 3 L 4.5844 8.7514 125.0017 54.8319 43.1641 176.1549 4 G 4.2380 8.9131 107.7502 44.6672 0.0000 171.2283 5 A 4.9946 8.8620 121.7599 50.2930 22.8859 175.7980 6 G 4.3627 8.5301 108.3196 45.3631 0.0000 171.6540 7 G 4.6313 8.9997 106.1885 44.4977 0.0000 173.4723 8 V 3.8142 8.7873 123.0007 60.9007 32.3617 173.7049 9 V 4.8420 7.9303 127.3131 61.4000 33.2666 174.3370 10 F 6.3000 9.6870 126.0724 55.1963 42.9940 174.5700 11 N 5.5552 8.7772 118.2533 50.3743 39.9041 175.0235 12 A 3.9875 9.2045 121.2169 55.3350 18.4043 178.7506 13 K 4.2668 8.0225 112.8120 56.1057 32.0858 176.7684 14 R 4.0140 7.7530 116.6991 57.4616 28.2514 175.7561 15 E 5.1231 8.7426 116.4258 55.0209 32.2075 175.8151 16 V 4.5368 9.1991 122.9461 59.9265 34.1827 174.7214 17 L 4.2431 8.4939 126.4434 54.5195 42.2841 175.7813 18 L 5.1779 8.9640 126.2708 52.9326 45.6629 175.3998 19 L 5.2100 9.0337 122.3493 53.4430 46.0920 174.9157 20 R 4.2889 8.0570 126.1148 54.3992 31.7364 176.1182 21 D 4.7522 8.5632 127.1732 52.1009 41.3263 176.8374 22 R 3.7397 8.4105 118.1683 59.6117 29.9848 177.0647 23 M 4.0896 8.1108 114.8024 54.9467 32.1442 176.3652 24 G 3.4841 7.8949 106.9455 45.8327 0.0000 173.1255 25 F 4.8908 8.1662 118.5503 55.2162 41.4541 175.1533 26 W 4.7288 8.6296 123.4033 56.4756 30.4900 175.9689 27 V 4.5398 9.0129 117.2761 60.3583 36.2987 173.4978 28 F 5.2522 8.3075 119.6723 55.8713 40.6739 174.5608 29 P 4.8326 0.0000 0.0000 63.0744 32.2536 175.2706 30 K 4.8520 8.4228 121.3388 56.6370 36.0788 174.3377 31 G 4.1606 8.4138 106.9594 46.8964 0.0000 172.2074 32 H 4.7093 8.7593 117.2638 54.7666 29.3469 174.1902 33 P 4.4598 0.0000 0.0000 62.4025 32.1724 175.9939 34 E 4.4757 9.4943 121.2696 54.2994 30.9010 174.3183 35 P 4.4586 0.0000 0.0000 64.1645 31.6153 177.3272 36 G 3.9798 9.0725 111.8644 45.0784 0.0000 173.0725 37 E 4.5412 7.5867 119.3255 55.2689 30.8547 177.0312 38 S 4.4745 8.2157 117.5031 57.8968 65.5293 175.6651 39 L 4.0549 8.3192 122.3089 57.6341 41.3752 179.4377 40 E 2.5400 7.7817 119.0835 58.6871 29.6234 178.2520 41 E 3.8043 7.9462 119.1386 59.1986 29.6070 178.6649 42 A 4.1120 8.0111 120.6429 54.9693 18.4179 179.4397 43 A 3.9453 8.0539 119.3559 55.3606 18.5550 179.9584 44 V 3.5833 7.6752 116.7670 66.1460 31.4852 178.2500 45 R 4.0102 7.9859 118.3009 59.5903 29.6170 178.3645 46 E 4.0242 8.6288 118.8515 59.2771 29.3970 179.4902 47 V 3.6776 8.0708 118.3612 65.7050 31.5496 177.8426 48 W 4.5681 8.1365 129.1978 60.1825 30.3951 177.7128 49 E 3.6478 8.3863 117.3682 59.3598 29.0048 178.8003 50 E 4.2344 8.3586 117.4131 57.6887 30.0538 177.2836 51 T 4.5120 7.3247 106.0992 58.9483 70.2478 175.0101 52 G 3.2866 7.9943 110.1902 46.1194 0.0000 173.1735 53 V 4.5665 7.6670 118.9193 60.6586 33.3778 174.6458 54 R 4.6554 8.9395 126.2453 55.4949 30.5807 175.4486 55 A 5.2220 8.5287 123.8141 50.0966 22.8469 174.5726 56 E 4.7026 8.8043 118.1992 54.2450 32.9675 175.9107 57 V 4.1900 8.5097 124.6938 63.3903 31.7377 175.3161 58 L 4.5932 9.2640 128.6668 56.5542 42.7404 176.5784 59 L 4.6264 7.5089 116.0756 54.3160 43.2364 172.0768 60 P 4.9078 0.0000 0.0000 62.7551 32.7576 176.3491 61 L 4.7491 8.2863 120.1554 54.7955 42.2704 179.0372 62 Y 4.9827 8.2714 124.3323 55.9781 41.3027 171.6856 63 P 5.0802 0.0000 0.0000 62.8398 32.7372 175.3586 64 T 5.0259 9.0373 111.7950 60.3099 72.0529 173.1041 65 R 5.6808 8.5388 120.1764 53.9715 34.3030 173.8006 66 Y 4.6079 7.5441 117.7941 56.6884 41.0224 172.3886 67 V 4.7044 8.4441 120.4973 61.0842 33.1568 175.4238 68 N 4.8254 9.0419 126.0235 51.3794 38.3373 174.0629 69 P 4.1950 0.0000 0.0000 65.4846 31.3052 177.6247 70 K 4.2476 8.2733 115.1470 56.1636 32.0221 177.4898 71 G 3.8751 8.3948 107.4899 45.3361 0.0000 173.5238 72 V 4.2028 7.9797 121.1227 61.3676 33.0715 174.9104 73 E 4.5270 8.7195 126.4127 56.2013 31.1831 175.6623 74 R 4.8453 8.9478 122.5126 54.1822 33.8975 174.6999 75 E 4.4651 8.6467 122.9709 54.5621 32.2281 174.1572 76 V 4.3739 8.4683 127.9942 61.5114 33.5976 174.1240 77 H 4.6226 8.7916 125.9057 54.4563 30.3656 174.4338 78 W 5.2969 7.8397 122.5231 55.0694 32.1203 175.1105 79 F 5.1823 8.7332 120.0689 55.6249 43.0666 173.7966 80 L 4.7325 9.1020 126.0488 55.3544 43.2267 175.5786 81 M 5.4681 9.3268 124.5618 53.7098 37.3546 173.8600 82 R 5.2590 8.9168 119.8159 54.9166 33.4939 174.4737 83 G 4.7184 9.3304 111.8915 45.8023 0.0000 171.4905 84 E 4.8462 9.0292 118.5709 54.8314 33.7229 175.2794 85 G 4.2232 8.7293 107.1255 44.4007 0.0000 173.7736 86 A 4.4125 8.4444 123.7931 51.0104 19.1489 176.1637 87 P 4.7576 0.0000 0.0000 62.4621 32.2382 175.5777 88 R 4.5767 9.0461 119.7446 54.5950 33.1099 174.0869 89 L 4.4685 8.6281 126.6272 54.3127 42.8854 176.3518 90 E 4.4875 8.5155 120.7629 54.5116 32.3306 175.2126 91 E 3.9746 8.6451 119.5425 58.4885 30.0798 176.1266 92 G 4.2482 9.0761 112.8283 46.5513 0.0000 174.5728 93 M 4.2289 7.4600 118.0010 55.4726 32.3272 176.3302 94 T 4.3757 8.3622 111.1371 60.3616 69.5476 174.0030 95 G 3.8456 7.0138 111.5016 46.1039 0.0000 171.8343 96 A 4.9896 7.8173 119.8515 51.0670 21.6049 175.9182 97 G 3.9090 7.5155 107.9956 46.3132 0.0000 171.2195 98 W 5.2429 8.1115 119.5431 55.1730 30.7418 176.3846 99 F 5.1793 9.4669 122.4105 55.4552 42.8851 175.0581 100 S 4.7520 9.6377 117.2208 57.3591 63.9557 173.4759 101 P 4.3274 0.0000 0.0000 65.8750 30.7559 178.5028 102 E 3.9241 8.1469 116.5648 59.4358 29.8343 178.3259 103 E 4.0669 8.2196 118.1551 59.2770 29.5360 179.1566 104 A 3.6474 8.2967 121.1019 55.2220 18.2337 179.8871 105 R 3.9550 8.0613 115.3664 58.9563 30.1989 178.3497 106 A 4.2664 7.4639 117.8937 52.7126 19.0178 177.5897 107 L 4.2371 7.1410 115.6597 55.5057 43.6810 177.4591 108 L 3.8410 7.8026 117.5940 55.3331 41.9541 177.4279 109 A 3.7851 8.2488 126.6245 53.8705 18.8696 177.6307 110 F 4.9751 7.1779 113.0471 54.7544 42.1423 174.6058 111 P 4.2946 0.0000 0.0000 65.9687 30.8738 178.9088 112 E 4.0932 8.2425 116.8221 59.5770 29.4310 178.8813 113 D 4.4292 8.1055 118.2235 56.6582 40.9125 178.9207 114 L 4.0961 7.8201 119.5671 57.8096 41.7874 179.4879 115 G 3.7099 7.9996 105.2116 47.6599 0.0000 175.4383 116 L 4.0336 7.7146 123.8616 57.2188 42.0281 178.7885 117 L 4.0363 8.0583 120.2575 58.3394 42.0672 178.8616 118 E 4.0151 8.2143 118.4261 59.5019 29.4235 179.5923 119 V 3.8288 8.0542 118.1054 65.8230 31.4649 177.8871 120 A 4.0455 8.3184 120.7853 55.2976 18.0473 179.6422 121 L 3.7076 7.9471 116.3225 57.8905 41.7143 179.3493 122 E 4.1062 8.0275 117.8575 58.6245 29.4801 178.5165 123 R 4.5752 7.3550 114.7605 54.6738 30.7378 176.0368 124 L 4.0387 7.1669 122.2480 53.6478 42.0520 174.8364 125 P 4.3347 0.0000 0.0000 62.5642 31.9727 176.4958 126 L 4.1357 8.3606 120.2870 55.1820 41.5230 177.0631 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 4.62 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 2 E 8.72 4.52 0.00 1.91 1.85 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 2.24 2.35 0.00 3 L 8.75 4.58 0.00 1.50 1.55 0.88 0.92 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 4 G 8.91 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 0.00 0.00 0.00 0.00 5 A 8.86 4.99 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 6 G 8.53 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 7 G 9.00 4.63 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 0.00 0.00 0.00 8 V 8.79 3.81 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 0.53 0.00 0.00 -0.01 0.00 0.00 9 V 7.93 4.84 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 1.31 0.00 0.00 1.03 0.00 0.00 10 F 9.69 6.30 0.00 3.07 2.97 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 0.00 0.00 0.00 0.00 11 N 8.78 5.56 0.00 2.72 1.92 0.00 0.00 6.62 7.14 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 12 A 9.20 3.99 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 13 K 8.02 4.27 0.00 1.81 1.82 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.36 7.81 14 R 7.75 4.01 0.00 2.01 2.02 0.00 3.10 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 15 E 8.74 5.12 0.00 2.15 2.17 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 2.33 2.44 0.00 16 V 9.20 4.54 1.52 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 0.99 0.00 0.00 0.65 0.00 0.00 17 L 8.49 4.24 0.00 0.37 1.31 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.96 5.18 0.00 1.69 1.67 0.17 -0.01 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 19 L 9.03 5.21 0.00 1.70 1.50 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.06 4.29 0.00 0.67 0.98 0.00 2.24 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 21 D 8.56 4.75 0.00 2.93 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 22 R 8.41 3.74 0.00 1.73 1.98 0.00 3.23 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 23 M 8.11 4.09 0.00 1.86 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 24 G 7.89 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.89 0.00 3.30 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 26 W 8.63 4.73 0.00 3.27 2.85 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 27 V 9.01 4.54 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 0.81 0.00 0.00 1.00 0.00 0.00 28 F 8.31 5.25 0.00 2.85 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 29 P 0.00 4.83 0.00 2.22 2.27 0.00 4.14 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 30 K 8.42 4.85 0.00 1.58 1.66 0.00 1.50 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.59 7.81 31 G 8.41 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 32 H 8.76 4.71 0.00 3.12 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.03 1.96 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 34 E 9.49 4.48 0.00 2.01 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 2.29 2.50 0.00 35 P 0.00 4.46 0.00 2.03 1.99 0.00 3.65 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 2.02 2.07 0.00 36 G 9.07 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 37 E 7.59 4.54 0.00 2.12 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 2.29 2.23 0.00 38 S 8.22 4.47 0.00 4.00 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 39 L 8.32 4.05 0.00 1.93 1.96 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.78 2.54 0.00 1.36 1.61 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 2.01 1.56 0.00 41 E 7.95 3.80 0.00 2.02 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 2.27 2.28 0.00 42 A 8.01 4.11 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 43 A 8.05 3.95 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 44 V 7.68 3.58 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 1.04 0.00 0.00 0.94 0.00 0.00 45 R 7.99 4.01 0.00 1.99 2.13 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 46 E 8.63 4.02 0.00 2.17 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 2.52 2.55 0.00 47 V 8.07 3.68 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 1.16 0.00 0.00 1.11 0.00 0.00 48 W 8.14 4.57 0.00 3.49 3.28 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 49 E 8.39 3.65 0.00 1.96 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 2.39 2.66 0.00 50 E 8.36 4.23 0.00 2.01 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 2.53 2.45 0.00 51 T 7.32 4.51 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 1.18 0.00 0.00 52 G 7.99 3.29 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 0.00 53 V 7.67 4.57 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 1.34 0.00 0.00 1.08 0.00 0.00 54 R 8.94 4.66 0.00 1.91 1.85 0.00 2.97 0.00 0.00 2.72 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 55 A 8.53 5.22 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 56 E 8.80 4.70 0.00 1.95 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 2.22 2.24 0.00 57 V 8.51 4.19 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 0.85 0.00 0.00 0.83 0.00 0.00 58 L 9.26 4.59 0.00 1.68 1.75 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.51 4.63 0.00 1.78 1.77 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.91 0.00 2.14 2.32 0.00 3.82 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 2.05 2.10 0.00 61 L 8.29 4.75 0.00 1.55 0.77 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.27 4.98 0.00 2.97 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 63 P 0.00 5.08 0.00 1.95 1.52 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 64 T 9.04 5.03 4.51 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 1.35 0.00 0.00 65 R 8.54 5.68 0.00 1.68 1.77 0.00 3.30 0.00 0.00 3.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 66 Y 7.54 4.61 0.00 2.82 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 67 V 8.44 4.70 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 0.86 0.00 0.00 0.92 0.00 0.00 68 N 9.04 4.83 0.00 3.06 3.08 0.00 0.00 6.55 8.54 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 69 P 0.00 4.19 0.00 2.11 2.23 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 70 K 8.27 4.25 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 G 8.39 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 V 7.98 4.20 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 1.04 0.00 0.00 0.93 0.00 0.00 73 E 8.72 4.53 0.00 2.00 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 2.31 2.28 0.00 74 R 8.95 4.85 0.00 0.67 1.42 0.00 3.10 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 75 E 8.65 4.47 0.00 1.97 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 2.12 2.17 0.00 76 V 8.47 4.37 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 -0.14 0.00 0.00 0.92 0.00 0.00 77 H 8.79 4.62 0.00 2.99 2.97 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 W 7.84 5.30 0.00 2.95 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 79 F 8.73 5.18 0.00 2.97 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 80 L 9.10 4.73 0.00 1.86 1.79 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 M 9.33 5.47 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 82 R 8.92 5.26 0.00 1.99 1.80 0.00 3.20 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 83 G 9.33 4.72 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 0.00 84 E 9.03 4.85 0.00 1.92 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 2.18 2.19 0.00 85 G 8.73 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 86 A 8.44 4.41 1.33 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 0.00 0.00 87 P 0.00 4.76 0.00 2.15 1.92 0.00 3.84 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 2.00 1.89 0.00 88 R 9.05 4.58 0.00 1.76 1.62 0.00 3.01 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 89 L 8.63 4.47 0.00 1.51 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.52 4.49 0.00 1.97 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 2.25 2.29 0.00 91 E 8.65 3.97 0.00 1.95 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 2.30 2.31 0.00 92 G 9.08 4.25 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 0.00 93 M 7.46 4.23 0.00 1.94 2.05 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 2.58 2.42 0.00 94 T 8.36 4.38 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 1.12 0.00 0.00 95 G 7.01 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 96 A 7.82 4.99 1.22 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 97 G 7.52 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.11 5.24 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 99 F 9.47 5.18 0.00 2.81 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 0.00 100 S 9.64 4.75 0.00 4.03 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 0.00 101 P 0.00 4.33 0.00 2.25 2.27 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 102 E 8.15 3.92 0.00 1.98 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 2.29 2.41 0.00 103 E 8.22 4.07 0.00 2.37 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 2.37 2.38 0.00 104 A 8.30 3.65 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 0.00 105 R 8.06 3.96 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 106 A 7.46 4.27 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 0.00 107 L 7.14 4.24 0.00 0.93 0.85 -0.37 0.62 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 0.00 108 L 7.80 3.84 0.00 1.41 1.43 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.25 3.79 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 0.00 110 F 7.18 4.98 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.29 0.00 2.19 2.13 0.00 3.72 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 2.16 2.20 0.00 112 E 8.24 4.09 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 2.53 2.56 0.00 113 D 8.11 4.43 0.00 2.71 2.33 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 0.00 114 L 7.82 4.10 0.00 1.85 1.72 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.00 3.71 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 0.00 0.00 0.00 116 L 7.71 4.03 0.00 1.78 1.80 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.06 4.04 0.00 2.14 1.99 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.21 4.02 0.00 2.24 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 2.60 2.49 0.00 119 V 8.05 3.83 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 1.17 0.00 0.00 1.11 0.00 0.00 120 A 8.32 4.05 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 0.00 0.00 121 L 7.95 3.71 0.00 1.83 1.71 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.03 4.11 0.00 2.10 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 2.35 2.64 0.00 123 R 7.36 4.58 0.00 1.79 1.97 0.00 3.21 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 124 L 7.17 4.04 0.00 1.34 1.31 0.82 0.51 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 0.00 125 P 0.00 4.33 0.00 2.07 1.97 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 126 L 8.36 4.14 0.00 1.62 1.56 0.91 0.80 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 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