NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2997 8.2649 123.5753 52.3317 20.7773 177.1199 1 M 3.9161 7.7459 115.1405 54.6087 32.6558 174.2785 2 A 4.5856 8.7684 126.0650 49.6469 22.7140 175.9250 3 L 3.4967 7.6301 121.7647 54.6613 42.2533 178.2650 4 T 4.2255 8.1186 114.0713 60.9765 71.1155 175.1617 5 E 3.9766 8.8028 122.1974 59.6476 29.6047 178.8963 6 A 4.0147 8.0838 120.1060 54.9672 18.4540 179.1447 7 W 3.9312 8.5911 127.0875 60.6528 30.7019 178.1779 8 L 4.2245 8.3571 118.9162 58.0266 41.0839 179.6593 9 I 3.7423 8.0669 119.8733 64.2264 36.8024 178.0838 10 E 3.8584 8.0608 119.3845 59.0781 29.5829 178.7848 11 K 3.8668 7.6759 118.2541 59.3649 32.0803 179.0919 12 A 4.0477 8.1372 121.1223 55.3850 18.3420 179.2107 13 N 4.5350 8.3830 113.9944 55.3934 38.3595 177.5148 14 R 3.9221 7.5011 119.6150 58.9119 30.5343 178.0760 15 K 4.3743 7.8543 116.6340 58.4398 32.8771 178.8235 16 L 4.1822 8.2664 118.2978 57.1370 41.5960 178.2677 17 N 4.6260 7.8712 114.0650 52.2964 39.4929 175.2690 18 A 4.0897 7.4986 124.7171 52.0419 19.1639 178.8031 19 G 3.6144 8.8428 111.0314 48.7196 0.0000 175.1476 20 G 2.1488 7.1987 107.3661 46.4675 0.0000 172.8508 21 M 4.5377 7.4047 120.8498 54.4835 32.8504 176.0033 22 Y 4.0730 8.4524 122.2558 57.6127 38.9063 177.2166 23 K 3.9358 8.9912 124.4466 59.7318 32.1835 178.8325 24 I 3.6794 7.8884 118.3106 64.4128 37.7945 177.7186 25 T 3.9947 8.0376 115.9231 66.9284 68.3092 176.5977 26 S 4.2402 8.0976 116.5536 61.6914 62.8804 176.4789 27 D 4.3866 8.4898 121.8819 57.4745 40.6532 179.1152 28 K 4.0783 8.1814 118.9164 59.7630 31.9717 179.6397 29 T 3.8137 8.2004 116.0889 66.5702 68.3666 176.8762 30 R 3.9144 8.3202 120.2589 59.3329 30.0326 178.5083 31 N 4.2706 8.2288 116.2215 56.6803 38.5981 177.5707 32 V 3.4839 7.6889 119.0751 65.8991 31.5447 178.0439 33 I 3.6951 7.9251 119.7455 64.4379 36.5231 178.6395 34 K 4.0364 8.1998 119.2945 59.1809 31.6002 179.4075 35 K 3.9314 8.2909 120.2205 59.8510 32.1086 178.8748 36 M 4.0217 8.4972 119.2040 58.1861 31.7494 178.5575 37 A 4.1327 8.1079 122.3681 54.4758 18.3438 179.5453 38 K 4.0704 7.6831 114.8801 58.2778 32.1802 178.2052 39 E 4.5171 7.2057 117.5462 55.3138 29.7184 176.1933 40 G 3.5196 7.9204 106.9643 45.8996 0.0000 173.3820 41 I 4.0947 7.3830 120.8155 59.2268 39.8558 174.2562 42 Y 5.0337 8.3534 125.2196 56.4730 39.8124 174.6550 43 L 5.1452 8.8233 124.6145 53.3966 43.9085 175.5339 44 C 4.5513 8.8044 123.5166 57.5021 34.0572 172.9171 45 V 4.3572 8.3755 126.0545 61.9138 30.6913 175.0878 46 A 4.3561 9.0274 131.8069 54.6246 19.1464 177.5815 47 Q 4.4904 8.1160 112.3654 56.0137 33.5874 174.3446 48 G 4.2916 9.1063 108.0517 46.3408 0.0000 173.7414 49 Y 5.0212 9.3784 118.3178 56.4988 40.8708 174.3857 50 R 4.4533 7.7527 121.2604 53.9623 33.5196 174.7425 51 S 4.5344 8.8643 116.3376 58.1441 64.2554 175.3635 52 T 3.7457 8.5017 110.6092 64.6812 68.4103 176.4997 53 A 3.9528 7.8594 123.2944 55.0502 18.5155 179.2395 54 E 3.9005 8.2494 117.1711 59.4668 29.4436 179.2913 55 Q 3.9470 8.2534 119.8078 59.4448 29.1185 178.2803 56 N 4.3614 8.3720 117.2135 56.1906 38.2849 177.3359 57 A 4.0422 7.9537 121.5828 54.9845 18.6666 179.3637 58 L 4.0751 8.1045 117.6031 58.1972 41.5152 179.1096 59 Y 3.9708 8.1234 118.1213 60.5918 38.8781 177.6865 60 A 4.1334 8.1988 121.8083 53.8322 18.3674 177.7961 61 Q 4.0987 7.1804 116.6548 57.6430 28.9861 177.2450 62 G 3.9190 8.9821 111.4414 45.6062 0.0000 173.0077 63 R 4.3747 7.6345 115.3753 56.4449 32.9082 176.3261 64 T 4.4938 7.6457 107.4720 61.2452 70.3195 173.7104 65 K 4.6358 7.4126 120.5464 54.4371 35.8171 173.6347 66 P 4.4573 0.0000 0.0000 63.4563 31.4744 175.2774 67 G 4.0663 8.7860 105.2341 43.0422 0.0000 173.3752 68 A 4.0181 8.1939 122.9505 51.7967 18.8959 177.7293 69 I 3.9881 8.1670 122.7625 61.5616 37.4910 176.5437 70 V 4.3437 8.1712 116.5547 61.1831 33.4745 175.0450 71 T 4.6273 7.4692 112.2548 61.2873 69.9582 172.4815 72 N 4.9196 8.7772 120.5740 52.7019 39.4489 174.1286 73 A 4.7251 7.9515 122.3233 50.0086 20.7819 177.4198 74 K 3.9424 8.4836 123.0958 55.0541 32.9402 176.7905 75 G 3.8547 9.0017 109.5594 47.9058 0.0000 174.2462 76 G 3.9410 9.4733 113.8949 45.3945 0.0000 173.7897 77 Q 4.5305 8.1962 117.1995 55.4170 29.6435 175.0591 78 S 4.8737 7.7640 113.5029 56.1662 64.8399 174.5483 79 N 4.8100 8.9104 124.0664 56.1476 38.9539 176.8433 80 H 4.3940 8.4427 115.8283 58.4670 28.8686 176.8190 81 N 5.1142 8.0199 114.6561 54.0404 38.4281 175.2761 82 Y 4.7309 8.1213 115.4893 57.3326 38.6181 176.6978 83 G 5.0784 8.6330 106.9962 46.6912 0.0000 175.0519 84 V 4.7789 8.0863 109.6217 59.6549 33.3669 174.8831 85 A 5.4788 8.2868 121.6781 50.3294 21.8854 176.3876 86 V 4.8957 8.7512 112.4995 59.9015 36.4590 174.1231 87 D 5.6036 9.2757 123.7671 53.0385 42.7144 175.6960 88 L 5.2037 9.3211 123.5732 53.6706 45.1273 175.7627 89 C 4.2344 8.6367 114.1867 57.5426 32.9211 172.1858 90 L 5.1925 7.8352 117.5580 53.7921 43.8570 175.8736 91 Y 5.0768 8.9842 120.6034 57.2458 39.3998 175.6885 92 T 4.3059 8.6643 112.9693 61.4769 70.0145 175.2665 93 N 4.2154 8.9358 119.1432 55.4535 38.6592 175.8594 94 D 4.3489 7.9521 115.7973 52.4479 39.6984 177.1544 95 G 3.4632 7.9058 107.0838 46.0904 0.0000 174.8052 96 K 4.3352 7.9039 117.9723 57.0741 32.9127 175.2019 97 D 4.9063 8.0270 117.9152 53.2645 45.3528 173.6762 98 V 4.9683 8.3293 111.9379 59.4540 35.5481 175.5190 99 I 4.5195 8.2886 122.4327 59.3535 40.9302 174.6547 100 W 4.5648 8.8239 126.2968 55.1903 30.0145 175.4034 101 E 4.6172 7.9842 124.3874 54.4546 31.8145 175.3971 102 S 4.5736 8.5536 114.5228 59.7969 64.6137 175.3801 103 T 4.8418 7.5891 107.3056 59.9746 69.5766 174.3366 104 T 4.1634 7.8781 113.0474 61.9991 70.8183 175.0356 105 S 4.1134 8.5918 117.3620 61.4955 62.8707 176.6261 106 R 3.8241 7.9669 121.8500 59.1111 29.8785 178.1371 107 W 4.2925 8.5591 128.3880 60.5182 30.6098 178.0589 108 K 3.6573 8.5187 118.7584 59.1562 31.3755 179.4471 109 K 3.8223 7.8583 119.0506 59.1669 31.7835 179.5826 110 V 3.1355 7.0004 118.6956 65.6555 31.3118 178.1991 111 V 3.1409 7.1724 117.9795 65.7156 31.1024 177.7991 112 A 3.8240 7.8477 120.2702 55.0219 18.0997 179.3484 113 A 3.8176 7.6603 119.2033 55.6205 18.5556 179.8156 114 M 3.8262 7.8021 117.2513 58.4201 31.8106 179.1276 115 K 4.4982 8.8778 120.0477 58.9907 31.9945 179.2460 116 A 4.0006 8.1854 120.3881 54.7353 18.3540 178.6325 117 E 4.2853 7.7865 115.0734 56.7837 29.8897 177.4459 118 G 3.9927 8.1437 108.0950 44.8334 0.0000 173.9080 119 F 4.6874 8.2669 118.3926 57.3106 40.3187 174.9151 120 K 4.9395 9.3032 121.1266 54.7880 35.2597 174.9411 121 W 4.9638 8.5535 131.5070 55.4553 33.0935 176.8081 122 G 2.0000 8.4889 116.1843 46.7820 0.0000 175.2953 123 G 2.0000 5.3800 107.1010 46.1488 0.0000 173.8443 124 D 4.5787 6.7097 118.4640 54.0829 41.7329 177.1369 125 W 4.5746 7.3318 119.1206 56.7418 29.4963 176.5353 126 K 4.2163 8.7101 121.0925 58.7349 31.9078 177.0972 127 S 4.5183 7.5896 110.9924 57.0412 66.2136 172.8838 128 F 3.7055 8.0764 116.6327 58.2242 36.2083 176.4653 129 K 4.0332 7.7681 117.6322 56.8137 32.9252 177.4260 130 D 4.4861 7.5777 120.9774 52.2622 41.4544 175.5411 131 Y 4.0633 7.9872 122.6954 59.9271 38.5069 175.7221 132 P 5.1248 0.0000 0.0000 64.6578 32.8801 175.5225 133 H 5.4889 7.9508 120.6902 54.1330 31.6071 173.9225 134 F 5.5229 9.2073 123.7451 55.6792 43.3401 173.6214 135 E 5.5037 9.6082 119.8714 54.7845 32.2513 176.3051 136 L 3.8133 9.5360 126.1036 57.6311 42.6933 176.0677 137 C 4.6754 7.8727 110.8902 57.5420 32.3490 173.7912 138 D 4.6907 8.8693 121.4554 52.3977 39.3134 176.4734 139 A 4.3960 7.9885 126.1620 54.0395 19.1821 180.4041 140 V 3.4367 8.2579 115.6442 66.0374 31.5153 177.3068 141 S 4.2214 7.9742 111.6914 58.8639 63.1883 173.4571 142 G 3.4082 7.0876 110.0341 45.1160 0.0000 174.1763 143 E 4.0826 8.3035 122.3171 55.6176 30.0761 176.7398 144 K 4.2107 8.3528 122.7498 56.0193 32.7782 177.0759 145 I 3.5666 8.0614 123.7085 60.9178 37.4253 174.4570 146 P 4.2818 0.0000 0.0000 62.1477 31.9358 175.9812 147 A 4.2211 8.1764 124.2681 51.1695 19.5742 177.5124 148 A 4.1399 8.4296 122.6951 52.5296 18.4237 177.6905 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 0 A 8.26 4.30 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 1 M 7.75 3.92 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 2 A 8.77 4.59 1.14 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 3 L 7.63 3.50 0.00 0.85 1.13 0.26 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.12 4.23 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 1.19 0.00 0.00 5 E 8.80 3.98 0.00 2.11 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 2.43 2.45 0.00 6 A 8.08 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 7 W 8.59 3.93 0.00 3.34 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 8 L 8.36 4.22 0.00 2.10 1.91 1.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.07 3.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.92 0.00 0.00 10 E 8.06 3.86 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 2.24 2.40 0.00 11 K 7.68 3.87 0.00 1.77 1.80 0.00 1.52 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 12 A 8.14 4.05 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 13 N 8.38 4.54 0.00 2.91 2.87 0.00 0.00 7.00 7.24 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 14 R 7.50 3.92 0.00 1.85 2.02 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 15 K 7.85 4.37 0.00 1.93 1.91 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.51 1.66 7.81 16 L 8.27 4.18 0.00 1.78 1.78 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.87 4.63 0.00 2.95 2.85 0.00 0.00 6.93 7.36 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 18 A 7.50 4.09 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 19 G 8.84 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 0.00 0.00 0.00 20 G 7.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.40 4.54 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.77 0.00 22 Y 8.45 4.07 0.00 3.30 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 23 K 8.99 3.94 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.54 7.81 24 I 7.89 3.68 1.88 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 1.58 1.16 0.96 0.00 0.00 25 T 8.04 3.99 4.54 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 1.52 0.00 0.00 26 S 8.10 4.24 0.00 3.97 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 27 D 8.49 4.39 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.18 4.08 0.00 2.00 2.10 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.60 7.81 29 T 8.20 3.81 4.42 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 1.14 0.00 0.00 30 R 8.32 3.91 0.00 2.11 2.00 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 31 N 8.23 4.27 0.00 3.00 2.91 0.00 0.00 6.71 7.27 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 32 V 7.69 3.48 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 0.77 0.00 0.00 0.88 0.00 0.00 33 I 7.93 3.70 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 1.00 0.00 0.00 34 K 8.20 4.04 0.00 1.94 1.98 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.63 7.81 35 K 8.29 3.93 0.00 1.83 1.95 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 36 M 8.50 4.02 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 37 A 8.11 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.68 4.07 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 39 E 7.21 4.52 0.00 1.88 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 2.21 2.24 0.00 40 G 7.92 3.52 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 0.00 0.00 0.00 41 I 7.38 4.09 1.83 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 1.14 1.09 0.88 0.00 0.00 42 Y 8.35 5.03 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.82 5.15 0.00 1.59 1.62 0.75 1.03 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 44 C 8.80 4.55 0.00 1.34 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 0.00 0.00 0.00 45 V 8.38 4.36 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 0.93 0.00 0.00 0.96 0.00 0.00 46 A 9.03 4.36 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 47 Q 8.12 4.49 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 48 G 9.11 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 0.00 0.00 0.00 0.00 49 Y 9.38 5.02 0.00 3.06 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 50 R 7.75 4.45 0.00 1.88 1.77 0.00 2.96 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 51 S 8.86 4.53 0.00 3.91 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 52 T 8.50 3.75 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 53 A 7.86 3.95 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 54 E 8.25 3.90 0.00 2.08 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 2.31 2.29 0.00 55 Q 8.25 3.95 0.00 2.19 2.20 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 2.55 2.55 0.00 56 N 8.37 4.36 0.00 2.90 2.87 0.00 0.00 6.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.95 4.04 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 58 L 8.10 4.08 0.00 1.92 1.75 0.91 0.65 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 59 Y 8.12 3.97 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.20 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.18 4.10 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 62 G 8.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.63 4.37 0.00 1.69 1.72 0.00 2.21 0.00 0.00 2.89 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.00 64 T 7.65 4.49 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 1.22 0.00 0.00 65 K 7.41 4.64 0.00 1.88 1.88 0.00 1.51 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 66 P 0.00 4.46 0.00 2.04 2.03 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 67 G 8.79 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 0.00 0.00 0.00 0.00 68 A 8.19 4.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.17 3.99 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.88 0.00 0.00 70 V 8.17 4.34 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 0.70 0.00 0.00 0.91 0.00 0.00 71 T 7.47 4.63 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 1.39 0.00 0.00 72 N 8.78 4.92 0.00 2.62 2.67 0.00 0.00 6.73 7.35 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 73 A 7.95 4.73 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 74 K 8.48 3.94 0.00 1.64 1.59 0.00 1.37 0.00 0.00 1.32 0.00 0.00 2.50 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.21 7.81 75 G 9.00 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 76 G 9.47 3.94 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 0.00 0.00 0.00 77 Q 8.20 4.53 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 78 S 7.76 4.87 0.00 3.88 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 79 N 8.91 4.81 0.00 3.00 3.04 0.00 0.00 7.15 8.16 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 80 H 8.44 4.39 0.00 3.27 3.48 0.00 5.61 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 81 N 8.02 5.11 0.00 2.50 2.61 0.00 0.00 6.84 6.77 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 82 Y 8.12 4.73 0.00 3.26 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 83 G 8.63 5.08 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 0.00 0.00 0.00 84 V 8.09 4.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.12 0.00 0.00 85 A 8.29 5.48 1.11 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 0.00 0.00 86 V 8.75 4.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 87 D 9.28 5.60 0.00 2.84 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 88 L 9.32 5.20 0.00 2.07 1.81 0.47 0.75 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 89 C 8.64 4.23 0.00 2.01 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 0.00 0.00 0.00 90 L 7.84 5.19 0.00 1.62 1.62 0.99 1.21 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 91 Y 8.98 5.08 0.00 2.99 2.86 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 92 T 8.66 4.31 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 1.25 0.00 0.00 93 N 8.94 4.22 0.00 2.70 2.86 0.00 0.00 6.80 8.06 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 94 D 7.95 4.35 0.00 2.60 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 95 G 7.91 3.46 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 0.00 96 K 7.90 4.34 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.49 7.81 97 D 8.03 4.91 0.00 2.70 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 98 V 8.33 4.97 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 0.55 0.00 0.00 0.90 0.00 0.00 99 I 8.29 4.52 1.76 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 1.22 0.82 0.87 0.00 0.00 100 W 8.82 4.56 0.00 3.05 3.06 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 0.00 101 E 7.98 4.62 0.00 1.68 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 2.15 2.14 0.00 102 S 8.55 4.57 0.00 2.72 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 0.00 103 T 7.59 4.84 4.32 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 1.14 0.00 0.00 104 T 7.88 4.16 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 1.26 0.00 0.00 105 S 8.59 4.11 0.00 4.07 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.97 3.82 0.00 1.92 2.03 0.00 3.31 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 107 W 8.56 4.29 0.00 3.44 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 0.00 108 K 8.52 3.66 0.00 1.96 1.75 0.00 1.74 0.00 0.00 1.99 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 109 K 7.86 3.82 0.00 1.90 1.73 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 110 V 7.00 3.14 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 0.00 0.00 0.01 0.00 0.00 0.62 0.00 0.00 111 V 7.17 3.14 1.55 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 0.37 0.00 0.00 -0.81 0.00 0.00 112 A 7.85 3.82 1.24 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 0.00 113 A 7.66 3.82 1.19 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 0.00 0.00 114 M 7.80 3.83 0.00 1.28 1.49 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.87 0.00 115 K 8.88 4.50 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.77 1.55 7.81 116 A 8.19 4.00 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 0.00 117 E 7.79 4.29 0.00 2.26 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 2.35 2.53 0.00 118 G 8.14 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 0.00 0.00 0.00 119 F 8.27 4.69 0.00 3.21 3.21 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 0.00 0.00 0.00 0.00 120 K 9.30 4.94 0.00 1.90 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.49 7.81 121 W 8.55 4.96 0.00 3.37 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 0.00 122 G 8.49 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 0.00 0.00 0.00 0.00 0.00 0.00 123 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 124 D 6.71 4.58 0.00 2.80 2.78 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 0.00 125 W 7.33 4.57 0.00 3.23 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 0.00 126 K 8.71 4.22 0.00 1.78 1.90 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 127 S 7.59 4.52 0.00 3.75 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 0.00 128 F 8.08 3.71 0.00 3.16 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 K 7.77 4.03 0.00 1.30 0.74 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 1.30 7.81 130 D 7.58 4.49 0.00 2.71 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 0.00 0.00 0.00 131 Y 7.99 4.06 0.00 3.12 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 0.00 132 P 0.00 5.12 0.00 2.37 2.73 0.00 3.86 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 2.29 2.44 0.00 133 H 7.95 5.49 0.00 3.59 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 9.21 5.52 0.00 2.78 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 0.00 135 E 9.61 5.50 0.00 2.31 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 0.00 2.50 2.48 0.00 136 L 9.54 3.81 0.00 1.64 1.58 0.72 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 137 C 7.87 4.68 0.00 3.19 2.79 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 0.00 138 D 8.87 4.69 0.00 2.87 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 0.00 139 A 7.99 4.40 0.97 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 0.00 0.00 140 V 8.26 3.44 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 0.80 0.00 0.00 1.16 0.00 0.00 141 S 7.97 4.22 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 0.00 142 G 7.09 3.41 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 0.00 143 E 8.30 4.08 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 144 K 8.35 4.21 0.00 1.68 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.42 7.81 145 I 8.06 3.57 1.51 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 1.29 0.36 -0.17 0.00 0.00 146 P 0.00 4.28 0.00 1.93 1.88 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 147 A 8.18 4.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.43 4.14 1.24 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