NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9614 8.3549 109.7383 45.5071 0.0000 174.7545 2 L 4.4260 8.3068 124.6759 50.6950 43.5367 175.1585 3 S 4.5017 10.5751 120.7677 57.9615 65.8117 174.9190 4 D 4.6725 8.7377 120.9811 56.9098 40.5504 179.0037 5 G 3.7659 8.0104 106.1963 47.1760 0.0000 175.8140 6 E 3.9060 7.7967 119.4100 59.2215 29.5971 179.5242 7 W 4.4878 8.4011 119.0004 59.4285 29.0147 178.4843 8 Q 4.0731 7.8453 118.7645 58.9162 28.6452 177.5131 9 L 3.9893 7.7653 119.7873 58.2728 41.6907 179.2992 10 V 3.6978 7.7542 117.3553 66.6048 31.2889 177.9890 11 L 4.1331 8.4578 118.3627 57.6491 41.2397 179.4399 12 N 4.4184 7.9458 116.3007 56.7897 39.1189 177.1598 13 V 3.8389 7.8196 120.1622 64.4941 31.5505 178.0867 14 W 4.0720 8.7534 129.3331 59.9183 30.3452 178.0455 15 G 3.6949 7.7460 104.6188 46.6345 0.0000 175.7482 16 K 3.9833 7.5531 121.1940 59.4908 32.0131 179.3685 17 V 2.7972 7.0870 117.8623 65.6985 31.1061 177.2101 18 E 4.0517 7.5755 115.2957 57.5946 29.4462 178.0771 19 A 4.2839 7.5187 119.9289 53.0475 20.4607 177.6631 20 D 4.6624 7.4545 115.7748 52.5121 43.2196 175.7156 21 V 3.4303 7.8403 123.7171 65.6876 32.2191 176.7009 22 A 4.0106 8.0090 120.1937 55.2808 18.3458 179.7322 23 G 3.4931 8.0993 103.6547 47.9496 0.0000 175.7142 24 H 4.0833 8.1799 118.2719 58.4790 28.7114 177.6955 25 G 3.7773 8.6539 108.3226 48.0789 0.0000 174.9472 26 Q 3.8521 7.8627 122.2743 59.1348 29.1814 178.7411 27 E 3.8793 7.9938 118.9242 59.2301 29.3769 179.8891 28 V 3.5759 7.6555 112.6707 64.1339 31.5926 178.5681 29 L 3.3707 7.8576 118.8382 57.4852 41.3590 179.3033 30 I 3.6045 7.5673 119.7426 64.6950 37.0956 178.5390 31 R 3.8247 7.6416 118.0220 59.1166 29.7967 178.9097 32 L 3.8738 7.7614 119.9870 58.1268 41.8574 179.1174 33 F 4.7713 7.5732 117.5329 60.8727 38.7106 177.9908 34 K 4.1000 8.6916 117.0357 59.0006 31.8202 179.0994 35 G 3.7922 7.7459 105.1136 45.9294 0.0000 173.8824 36 H 4.7049 8.7661 118.9352 51.6454 30.0461 171.5710 37 P 4.5327 0.0000 0.0000 64.8186 31.5983 177.4189 38 E 4.0422 8.2321 115.8083 59.6096 29.4175 179.1256 39 T 3.9561 8.3654 110.9588 64.1928 68.8620 176.4460 40 L 3.5722 8.2525 124.0319 57.9190 41.7653 178.5371 41 E 4.0457 7.5894 116.9131 59.3775 29.4550 179.1473 42 K 4.4023 8.1314 116.6370 57.1680 32.5113 176.8413 43 F 4.5373 8.2668 118.7883 55.4506 39.2656 175.7875 44 D 4.3638 8.7140 125.9188 57.5185 40.7909 179.8834 45 K 3.6819 7.7269 118.3367 59.1580 32.4649 176.7591 46 F 4.9169 8.6023 114.4048 56.4572 41.1764 176.3860 47 K 3.9254 8.2827 122.5511 60.1033 32.2184 177.8680 48 H 4.3532 8.0670 112.4417 56.5260 28.5810 174.8098 49 L 4.5072 7.3853 121.3860 54.1979 42.0073 176.6526 50 K 4.4779 9.9122 123.5121 56.2641 33.3502 176.3745 51 S 4.6262 7.4412 113.3600 55.6779 67.0121 174.2369 52 E 3.8724 8.7530 122.6246 59.5785 29.0183 178.1677 53 D 4.4191 8.0799 116.2162 57.6316 41.5466 177.8079 54 E 4.1124 8.1306 118.6725 59.7394 29.1349 179.2949 55 M 4.0076 8.0229 118.5981 58.4237 31.8321 179.0671 56 K 3.8356 8.7873 118.1586 58.8649 32.1708 178.9510 57 A 4.3602 7.4825 120.3165 53.6859 18.6929 177.3244 58 S 4.0089 7.3265 113.0621 58.6958 63.3040 174.5587 59 E 3.9616 8.7582 130.1324 59.6941 29.6822 178.3072 60 D 4.5852 8.1194 117.9612 56.6093 40.8642 178.5091 61 L 3.3485 7.5666 120.0566 57.9173 41.8179 178.7260 62 K 3.7975 7.6798 119.3828 59.2898 31.8516 178.5790 63 K 4.1885 7.8970 118.1255 59.0519 32.2422 178.6502 64 H 4.4158 8.3192 118.3658 59.2409 29.8951 177.6439 65 G 3.5232 8.4534 107.9472 47.4947 0.0000 175.2976 66 N 4.2969 7.7583 118.0403 56.8151 39.0664 177.0666 67 T 3.8407 7.6172 117.1794 66.7530 68.5948 176.7687 68 V 3.6112 7.8867 120.1145 66.0615 31.4572 177.8592 69 L 4.3677 7.9734 117.9921 57.2107 41.4808 179.5661 70 T 3.9780 8.4755 116.4761 66.5101 68.2224 176.5242 71 A 3.9866 7.7018 121.1966 55.0375 18.6439 179.1202 72 L 3.8125 7.8130 118.4930 58.0773 42.0680 178.9922 73 G 3.6041 7.7874 105.9199 48.1008 0.0000 175.8061 74 G 3.6318 7.6034 106.7550 47.0518 0.0000 175.5168 75 I 3.9418 7.7544 122.2980 63.9800 37.2950 178.1799 76 L 3.9879 7.5049 119.2918 57.8237 41.2681 179.4990 77 K 3.9824 7.3999 115.5570 58.2361 32.3189 177.9543 78 K 3.9604 7.8245 117.3250 56.8950 32.5547 177.3227 79 K 2.0000 7.6285 118.5451 56.7958 29.6380 174.5458 80 G 3.8480 7.6699 111.6770 46.3187 0.0000 175.0331 81 H 5.1248 8.2534 119.1271 54.5040 27.5809 174.7848 82 H 5.4581 6.9417 110.4512 54.0221 29.7090 177.0303 83 E 3.9592 8.4552 120.3667 60.8945 29.3994 178.4713 84 A 4.0681 7.9726 118.7860 54.8296 18.5722 178.9029 85 E 4.1912 8.0371 116.6841 59.1363 30.0521 178.5224 86 L 4.1594 8.2385 119.9248 57.6548 42.0189 179.0634 87 T 3.8841 7.8186 115.9416 66.3811 68.4646 174.5326 88 P 4.2545 0.0000 0.0000 65.7162 31.3428 178.4488 89 L 4.0320 7.9372 118.3049 58.1355 41.9385 178.6276 90 A 4.3651 8.0312 119.5012 55.4009 18.6928 178.5504 91 Q 4.0052 8.6219 118.2785 57.5183 28.5399 178.4135 92 S 3.9903 8.5724 115.1531 62.5620 63.2409 176.9185 93 H 4.2326 8.4903 119.2886 57.1383 28.2054 177.5645 94 A 3.0880 7.5306 122.5921 53.9286 18.6275 178.7267 95 T 4.0746 7.2268 105.0702 61.4878 70.1035 174.5943 96 K 4.2618 7.4694 119.4298 58.2911 33.9547 176.7453 97 H 4.3240 8.1141 114.1030 56.3233 29.2832 175.4694 98 K 3.5106 7.6356 117.6889 57.1322 29.2577 175.8629 99 I 4.1400 8.1312 119.2411 59.4204 37.8585 175.2439 100 P 4.4596 0.0000 0.0000 62.5160 31.9916 177.8775 101 V 3.5049 8.3040 112.4844 64.2324 31.3025 178.6710 102 K 3.5870 8.0463 119.0141 60.0687 31.9243 177.9024 103 Y 4.3902 7.8554 116.4244 61.0874 37.6720 178.3837 104 L 4.1659 8.3906 120.5115 57.6757 41.5418 179.1717 105 E 3.9197 7.7974 118.9406 59.2104 29.5424 178.6991 106 F 4.5877 7.6290 117.9456 60.7104 38.8701 177.5184 107 I 3.7576 7.9354 117.9983 64.0457 37.7860 178.0602 108 S 4.1075 8.0259 115.9977 61.4892 62.5852 176.3374 109 E 3.9430 8.1010 121.7549 59.2249 29.4925 178.3324 110 A 3.9821 8.1642 121.0160 55.4965 18.2922 179.4612 111 I 3.6244 8.5028 118.8761 64.8297 37.2525 178.8200 112 I 3.7224 7.9176 120.3644 64.3810 36.8521 178.5598 113 Q 3.9976 8.4619 119.3637 58.9132 28.5570 179.0079 114 V 3.4746 7.8365 119.2247 65.9769 31.5858 178.0885 115 L 3.7934 7.3752 118.7174 57.6824 41.0380 179.6352 116 Q 4.1859 7.5795 117.0241 59.0657 28.7992 178.5074 117 S 4.2298 8.0040 115.0895 61.3437 63.0032 176.2848 118 K 4.2009 8.2822 118.9439 57.0312 33.7544 176.6450 119 H 5.0473 8.4691 116.5449 53.8552 29.4086 172.8709 120 P 4.4354 0.0000 0.0000 65.6329 32.0198 178.7986 121 G 3.7157 8.2325 107.3967 48.3230 0.0000 174.1255 122 D 4.6666 8.0913 116.9603 54.3997 42.0855 176.1304 123 F 4.7723 7.9030 120.0948 56.3838 39.2731 173.9049 124 G 3.9100 7.3699 110.1185 43.3453 0.0000 171.4423 125 A 3.9764 8.4541 120.5059 55.3098 17.8531 179.5424 126 D 4.2350 7.7988 116.0423 57.0096 41.3718 178.6046 127 A 3.9282 7.6900 120.6339 56.0291 18.4077 178.5096 128 Q 3.2457 7.9979 115.8161 59.2904 28.4142 179.2924 129 G 3.6950 8.1093 106.3876 48.1135 0.0000 174.7477 130 A 3.8409 8.1359 123.0824 55.3720 18.3946 179.2984 131 M 3.9889 8.2901 116.4345 59.0693 32.3249 178.5027 132 S 4.1933 8.1238 113.0875 60.9771 62.3921 176.3554 133 K 3.9116 7.8386 121.1271 59.3218 31.8685 179.0152 134 A 3.7109 7.8179 120.9843 55.2662 18.2779 179.7522 135 L 4.1134 8.0762 117.6430 57.7718 41.7342 179.5137 136 E 4.0570 8.9835 118.3375 58.9408 29.4660 178.9263 137 L 3.9298 8.2010 121.8961 57.9936 42.1724 178.6487 138 F 4.0058 8.2323 120.4131 61.3694 39.2887 177.2495 139 R 3.4906 8.0330 117.4701 59.1475 29.7894 178.5893 140 N 4.2539 8.3829 116.5682 56.7166 38.2796 177.2390 141 D 4.3317 8.1236 119.9980 57.3326 40.8984 178.8061 142 M 3.7352 7.5375 118.9782 58.2044 32.0686 178.2529 143 A 3.5627 8.1811 121.6128 55.2923 17.9776 179.4327 144 A 3.9500 7.6438 118.4686 55.4548 18.4370 180.1021 145 K 4.1016 7.8033 116.5855 60.1879 32.0071 178.5502 146 Y 4.3044 8.4696 116.8456 60.7541 37.8133 178.8881 147 K 4.3072 8.4321 119.8450 59.7557 31.3133 178.7540 148 E 3.9655 7.9901 118.1896 59.2874 29.4027 178.7995 149 L 4.2891 8.2007 118.4621 55.7789 42.4968 177.5455 150 G 3.9838 7.7418 106.7652 47.1943 0.0000 172.4295 151 F 4.8258 7.7641 116.2490 55.9654 42.9563 177.0626 152 Q 3.5044 7.9159 120.4112 56.9271 25.8259 176.4376 153 G 3.7969 8.2455 110.1332 45.3244 0.0000 171.0577 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 G 8.35 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 2 L 8.31 4.43 0.00 0.70 0.90 0.34 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.58 4.50 0.00 3.93 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 4 D 8.74 4.67 0.00 2.80 2.83 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 0.00 0.00 0.00 5 G 8.01 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 0.00 0.00 0.00 6 E 7.80 3.91 0.00 2.14 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 2.23 2.28 0.00 7 W 8.40 4.49 0.00 3.34 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 8 Q 7.85 4.07 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 9 L 7.77 3.99 0.00 1.97 1.73 0.89 0.65 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 10 V 7.75 3.70 2.44 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 1.29 0.00 0.00 0.86 0.00 0.00 11 L 8.46 4.13 0.00 1.89 1.80 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.95 4.42 0.00 3.08 2.98 0.00 0.00 7.22 8.13 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 13 V 7.82 3.84 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.18 0.00 0.00 14 W 8.75 4.07 0.00 3.61 3.36 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 15 G 7.75 3.69 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 0.00 0.00 0.00 16 K 7.55 3.98 0.00 1.66 1.46 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.31 7.81 17 V 7.09 2.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.16 0.00 0.00 18 E 7.58 4.05 0.00 1.93 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 2.46 0.00 19 A 7.52 4.28 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 20 D 7.45 4.66 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.84 3.43 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 0.99 0.00 0.00 0.93 0.00 0.00 22 A 8.01 4.01 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 23 G 8.10 3.49 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 0.00 24 H 8.18 4.08 0.00 3.30 3.21 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 25 G 8.65 3.78 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 0.00 0.00 0.00 26 Q 7.86 3.85 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 27 E 7.99 3.88 0.00 2.06 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 0.00 2.17 2.49 0.00 28 V 7.66 3.58 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 0.76 0.00 0.00 0.86 0.00 0.00 29 L 7.86 3.37 0.00 1.52 1.13 0.87 0.43 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 0.00 0.00 30 I 7.57 3.60 1.82 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 1.47 0.76 0.86 0.00 0.00 31 R 7.64 3.82 0.00 1.93 1.91 0.00 3.24 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 32 L 7.76 3.87 0.00 1.62 1.42 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.57 4.77 0.00 3.28 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 34 K 8.69 4.10 0.00 1.64 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.58 7.81 35 G 7.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.77 4.70 0.00 2.76 2.61 0.00 5.65 0.00 0.00 0.00 0.00 6.84 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 4.53 0.00 2.13 2.11 0.00 3.82 0.00 0.00 3.70 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 38 E 8.23 4.04 0.00 2.27 2.28 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 2.40 2.55 0.00 39 T 8.37 3.96 4.15 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 0.84 0.00 0.00 40 L 8.25 3.57 0.00 1.14 1.75 0.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.59 4.05 0.00 2.45 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 2.40 2.56 0.00 42 K 8.13 4.40 0.00 2.05 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 2.01 7.81 43 F 8.27 4.54 0.00 3.08 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 44 D 8.71 4.36 0.00 2.62 2.71 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 45 K 7.73 3.68 0.00 1.39 0.74 0.00 0.61 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.22 1.21 7.81 46 F 8.60 4.92 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.93 0.00 1.85 1.95 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.41 7.81 48 H 8.07 4.35 0.00 3.29 3.48 0.00 5.52 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 49 L 7.39 4.51 0.00 1.56 1.58 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.91 4.48 0.00 1.61 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.48 7.81 51 S 7.44 4.63 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.75 3.87 0.00 2.03 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 2.35 2.35 0.00 53 D 8.08 4.42 0.00 2.69 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 54 E 8.13 4.11 0.00 2.37 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 0.00 2.34 2.35 0.00 55 M 8.02 4.01 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 56 K 8.79 3.84 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 A 7.48 4.36 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 58 S 7.33 4.01 0.00 3.74 3.83 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 0.00 0.00 0.00 59 E 8.76 3.96 0.00 2.10 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 0.00 2.41 2.42 0.00 60 D 8.12 4.59 0.00 2.93 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 61 L 7.57 3.35 0.00 1.43 1.60 0.53 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.68 3.80 0.00 1.81 2.00 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 63 K 7.90 4.19 0.00 1.97 1.89 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.71 7.81 64 H 8.32 4.42 0.00 3.66 3.58 0.00 5.78 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 65 G 8.45 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 66 N 7.76 4.30 0.00 2.94 3.01 0.00 0.00 7.15 7.10 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 67 T 7.62 3.84 4.43 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 1.26 0.00 0.00 68 V 7.89 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 69 L 7.97 4.37 0.00 1.80 1.82 0.83 0.85 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 70 T 8.48 3.98 4.33 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 1.26 0.00 0.00 71 A 7.70 3.99 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 72 L 7.81 3.81 0.00 1.59 1.66 0.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.79 3.60 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 0.00 0.00 0.00 74 G 7.60 3.63 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 75 I 7.75 3.94 1.80 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 1.54 1.08 0.88 0.00 0.00 76 L 7.50 3.99 0.00 1.37 1.37 -0.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.40 3.98 0.00 1.60 1.78 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.51 7.81 78 K 7.82 3.96 0.00 1.86 1.86 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.54 7.81 79 K 7.63 2.00 0.00 0.96 0.74 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.53 0.81 7.81 80 G 7.67 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 81 H 8.25 5.12 0.00 3.01 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 6.94 5.46 0.00 3.27 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.46 3.96 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 2.41 2.46 0.00 84 A 7.97 4.07 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 85 E 8.04 4.19 0.00 2.30 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 2.37 2.43 0.00 86 L 8.24 4.16 0.00 2.10 1.69 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.82 3.88 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 1.24 0.00 0.00 88 P 0.00 4.25 0.00 2.20 2.15 0.00 3.66 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 2.15 2.18 0.00 89 L 7.94 4.03 0.00 1.83 1.87 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.03 4.37 1.48 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 91 Q 8.62 4.01 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 92 S 8.57 3.99 0.00 3.95 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.49 4.23 0.00 3.54 3.58 0.00 5.80 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 94 A 7.53 3.09 0.26 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 95 T 7.23 4.07 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 1.12 0.00 0.00 96 K 7.47 4.26 0.00 1.56 1.75 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.20 1.35 7.81 97 H 8.11 4.32 0.00 3.00 3.14 0.00 5.86 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 98 K 7.64 3.51 0.00 1.78 1.72 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.30 7.81 99 I 8.13 4.14 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 1.18 0.00 0.00 100 P 0.00 4.46 0.00 1.93 1.97 0.00 2.72 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 0.66 1.65 0.00 101 V 8.30 3.50 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 0.46 0.00 0.00 0.80 0.00 0.00 102 K 8.05 3.59 0.00 1.75 1.77 0.00 1.03 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 0.68 7.81 103 Y 7.86 4.39 0.00 3.26 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 0.00 104 L 8.39 4.17 0.00 1.80 1.76 0.64 0.87 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 0.00 105 E 7.80 3.92 0.00 1.86 1.79 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 2.23 2.36 0.00 106 F 7.63 4.59 0.00 3.37 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 0.00 107 I 7.94 3.76 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 1.05 0.00 0.00 108 S 8.03 4.11 0.00 4.12 3.97 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 0.00 109 E 8.10 3.94 0.00 2.14 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 0.00 2.40 2.46 0.00 110 A 8.16 3.98 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 0.00 111 I 8.50 3.62 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.98 0.00 0.00 112 I 7.92 3.72 2.13 0.00 0.00 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 1.76 0.97 1.12 0.00 0.00 113 Q 8.46 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 114 V 7.84 3.47 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 0.92 0.00 0.00 0.97 0.00 0.00 115 L 7.38 3.79 0.00 0.46 0.52 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.58 4.19 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 3.02 2.75 0.00 117 S 8.00 4.23 0.00 3.85 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 0.00 118 K 8.28 4.20 0.00 1.51 1.41 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.39 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.24 1.35 7.81 119 H 8.47 5.05 0.00 3.16 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.44 0.00 2.19 2.23 0.00 3.52 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 2.00 2.17 0.00 121 G 8.23 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 0.00 0.00 0.00 122 D 8.09 4.67 0.00 2.75 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 0.00 123 F 7.90 4.77 0.00 3.07 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 0.00 124 G 7.37 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 0.00 125 A 8.45 3.98 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 0.00 126 D 7.80 4.23 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 127 A 7.69 3.93 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 0.00 128 Q 8.00 3.25 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.01 1.53 0.00 129 G 8.11 3.69 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 0.00 0.00 0.00 130 A 8.14 3.84 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 M 8.29 3.99 0.00 2.53 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.85 0.00 132 S 8.12 4.19 0.00 3.99 3.93 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 0.00 133 K 7.84 3.91 0.00 1.97 1.63 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 134 A 7.82 3.71 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 0.00 135 L 8.08 4.11 0.00 1.90 1.81 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.98 4.06 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 137 L 8.20 3.93 0.00 1.79 2.06 1.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.23 4.01 0.00 3.22 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 0.00 139 R 8.03 3.49 0.00 1.99 1.84 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 140 N 8.38 4.25 0.00 2.93 2.83 0.00 0.00 7.09 7.97 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 0.00 141 D 8.12 4.33 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.54 3.74 0.00 1.41 1.64 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 143 A 8.18 3.56 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 0.00 144 A 7.64 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.80 4.10 0.00 1.93 2.02 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.67 7.81 146 Y 8.47 4.30 0.00 3.23 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 0.00 147 K 8.43 4.31 0.00 2.07 1.91 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 148 E 7.99 3.97 0.00 2.11 2.25 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 2.35 2.37 0.00 149 L 8.20 4.29 0.00 2.26 2.20 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.74 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 0.00 151 F 7.76 4.83 0.00 2.91 2.65 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 0.00 0.00 0.00 0.00 152 Q 7.92 3.50 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 153 G 8.25 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 0.00 0.00 0.00