NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.8094 8.1293 121.6817 56.1363 39.4000 174.2243 4 P 3.9540 0.0000 0.0000 62.1691 31.8714 173.7316 5 E 4.1629 9.3471 123.7710 55.1928 29.8972 178.0391 6 C 4.6025 8.5711 123.9418 56.8989 41.4541 173.4785 7 G 4.0560 8.9010 110.9133 43.1172 0.0000 172.8446 8 E 3.8692 8.4150 119.8255 58.1885 29.7711 176.8069 9 N 4.1295 9.1162 122.0672 52.7747 36.1434 173.1713 10 E 5.2843 8.0663 117.2440 54.1129 33.0467 174.8777 11 W 4.9120 8.9418 118.6312 54.6309 32.3033 173.8775 12 L 4.3652 8.6708 122.1070 53.7885 42.4241 175.8720 13 D 4.5827 8.1551 128.7721 52.0612 40.2736 176.9437 14 D 4.7780 8.5011 119.1924 53.5641 39.0749 178.5662 15 C 5.1929 8.4079 114.9741 55.0317 44.1456 176.7820 16 G 3.8753 8.1895 111.0990 46.6084 0.0000 175.7395 17 T 3.8395 7.8683 109.9311 63.9405 68.9428 175.3223 18 Q 4.3474 8.4545 120.9473 57.4035 30.0443 177.7573 19 K 3.7658 8.4732 119.6776 59.1236 31.9327 176.7121 20 P 4.3900 0.0000 0.0000 65.8850 30.7924 177.6315 21 C 4.6427 7.6812 113.3212 55.4811 40.9416 173.5987 22 E 3.9885 8.0866 120.9554 56.8067 29.8081 176.6663 23 A 4.1220 8.4603 124.5522 51.8816 19.8275 176.2753 24 K 4.2369 8.6394 122.5414 55.6693 33.6106 177.0988 25 C 3.7574 9.0853 120.1786 62.0359 39.8103 174.5396 26 N 4.6435 7.9271 128.8582 53.2966 38.5369 177.5226 27 E 4.9323 7.8047 126.1967 54.6258 29.2152 178.4970 28 E 3.6570 9.0205 112.0629 55.3959 25.1003 171.7097 29 P 4.4042 0.0000 0.0000 61.5931 31.2419 174.8477 30 P 4.5660 0.0000 0.0000 62.2295 31.9965 177.5971 31 E 4.1650 8.5511 119.0088 58.6807 29.6756 177.3336 32 E 4.5555 7.5208 117.2356 54.0521 32.4831 174.6451 33 E 4.0842 8.7129 124.2905 55.8086 30.4935 176.0714 34 D 4.3430 8.6374 119.8374 54.0249 41.5928 175.5305 35 P 4.3974 0.0000 0.0000 64.8704 31.8753 178.1333 36 I 3.9650 8.6679 120.3482 64.0141 38.0090 177.0770 37 C 4.6485 7.9773 116.4171 58.8763 40.0289 174.5220 38 R 4.1744 8.1430 117.1148 56.0979 30.1187 176.6714 39 S 4.2415 7.6892 114.0488 58.5440 62.7868 173.6264 40 R 4.4855 8.6044 125.4280 56.1053 30.0421 176.4209 41 G 4.0490 8.4117 107.6024 44.5604 0.0000 174.3515 42 C 4.5581 8.3131 121.9284 55.2328 41.9815 173.1968 43 L 4.2126 7.8784 120.5144 54.6560 42.4149 175.8392 44 L 4.9063 7.2684 118.1619 52.3336 46.7511 173.2468 45 P 4.7145 0.0000 0.0000 61.5071 32.3815 174.3996 46 P 4.5542 0.0000 0.0000 64.0942 31.5451 175.1900 47 A 4.6655 8.2121 123.1955 50.3609 22.9429 175.4620 48 C 4.7942 8.6716 119.3316 56.7935 38.5573 173.5649 49 V 4.7236 8.0269 116.2853 59.1110 36.0141 174.4165 50 C 4.7950 8.7460 120.0337 57.1872 40.5309 174.4465 51 K 4.7082 8.7213 122.4702 56.1876 32.7281 176.8984 52 D 4.3245 8.6851 122.7150 56.1842 41.3807 177.0710 53 G 3.4314 10.4162 112.7857 45.0755 0.0000 174.8102 54 F 5.2507 7.2322 115.5693 57.7023 42.1030 175.3250 55 Y 4.5244 9.3697 122.2514 57.7541 39.8856 174.9753 56 R 4.8720 8.8102 122.4916 54.9241 31.7970 175.0699 57 D 4.5581 9.3815 128.1795 55.0527 41.6437 176.7843 58 T 3.9549 9.0320 123.4509 67.0862 68.6626 175.7203 59 V 3.6354 7.6497 118.8246 65.6783 31.7297 176.1320 60 I 4.0598 7.7958 122.3287 60.1943 37.5603 177.6378 61 G 4.0097 8.5301 118.3016 45.6957 0.0000 170.3776 62 D 4.8873 8.1183 119.2066 52.2154 44.4831 175.6068 63 C 5.4201 8.8009 116.1613 55.9785 36.7083 173.6536 64 V 4.5972 8.6560 118.3737 59.2590 35.1022 175.6396 65 R 4.5714 8.4874 120.6229 55.9719 31.2798 176.7101 66 E 3.3791 8.6424 118.5700 59.5498 29.5101 178.4771 67 E 4.1669 8.0656 112.2616 57.7223 29.3105 176.5802 68 E 4.7029 8.0423 119.1421 56.7348 30.4920 176.6464 69 C 4.8308 7.9147 117.4762 54.6446 39.1312 173.9340 70 D 4.6885 8.1512 118.9718 52.6024 41.0521 175.6985 71 Q 4.5094 7.7974 121.2099 55.0012 32.9796 174.2693 72 H 4.8044 8.8355 121.9406 54.6401 31.1502 173.7005 73 E 4.7315 8.4414 126.9352 54.9420 31.6747 174.6861 74 I 4.2976 7.6690 120.8247 60.7777 40.8701 173.8369 75 I 4.6031 8.2161 123.6631 59.9841 40.0494 175.6027 76 H 4.3945 8.4117 117.3339 56.2809 29.6290 173.7215 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 3 Y 8.13 4.81 0.00 2.92 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 4 P 0.00 3.95 0.00 2.29 2.07 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 5 E 9.35 4.16 0.00 1.93 1.91 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 2.23 2.24 0.00 6 C 8.57 4.60 0.00 2.98 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 7 G 8.90 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 0.00 0.00 0.00 8 E 8.42 3.87 0.00 1.90 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 2.23 2.33 0.00 9 N 9.12 4.13 0.00 2.67 2.68 0.00 0.00 6.91 7.66 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 10 E 8.07 5.28 0.00 1.84 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 2.18 2.16 0.00 11 W 8.94 4.91 0.00 3.47 3.18 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 12 L 8.67 4.37 0.00 1.64 1.70 0.99 0.98 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 13 D 8.16 4.58 0.00 1.69 2.35 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 0.00 0.00 0.00 0.00 14 D 8.50 4.78 0.00 2.85 3.05 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 15 C 8.41 5.19 0.00 2.93 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 16 G 8.19 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 17 T 7.87 3.84 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 1.35 0.00 0.00 18 Q 8.45 4.35 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.78 0.00 19 K 8.47 3.77 0.00 1.76 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.47 7.81 20 P 0.00 4.39 0.00 2.26 2.21 0.00 3.86 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 2.18 2.09 0.00 21 C 7.68 4.64 0.00 3.01 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 22 E 8.09 3.99 0.00 1.91 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 2.37 2.49 0.00 23 A 8.46 4.12 0.80 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 24 K 8.64 4.24 0.00 1.77 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 25 C 9.09 3.76 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 26 N 7.93 4.64 0.00 2.74 2.79 0.00 0.00 7.38 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.80 4.93 0.00 2.19 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 2.32 2.35 0.00 28 E 9.02 3.66 0.00 2.17 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 2.19 2.38 0.00 29 P 0.00 4.40 0.00 2.05 1.99 0.00 3.70 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 2.05 2.13 0.00 30 P 0.00 4.57 0.00 2.32 1.97 0.00 3.60 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 2.11 2.11 0.00 31 E 8.55 4.17 0.00 1.96 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 2.32 2.24 0.00 32 E 7.52 4.56 0.00 1.84 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 2.22 2.39 0.00 33 E 8.71 4.08 0.00 2.12 1.95 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 2.28 2.31 0.00 34 D 8.64 4.34 0.00 2.70 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 35 P 0.00 4.40 0.00 2.26 2.29 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 36 I 8.67 3.96 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.59 1.02 0.00 0.00 37 C 7.98 4.65 0.00 3.28 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 38 R 8.14 4.17 0.00 1.85 1.97 0.00 3.17 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 39 S 7.69 4.24 0.00 3.86 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 40 R 8.60 4.49 0.00 1.82 1.93 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 41 G 8.41 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 0.00 0.00 0.00 42 C 8.31 4.56 0.00 2.95 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 43 L 7.88 4.21 0.00 1.67 1.68 0.92 0.98 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 44 L 7.27 4.91 0.00 1.72 1.48 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.71 0.00 2.01 1.97 0.00 3.76 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 1.92 0.00 46 P 0.00 4.55 0.00 2.25 2.03 0.00 3.55 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.32 0.00 47 A 8.21 4.67 1.10 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 48 C 8.67 4.79 0.00 2.78 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 49 V 8.03 4.72 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 0.43 0.00 0.00 0.52 0.00 0.00 50 C 8.75 4.80 0.00 3.00 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 51 K 8.72 4.71 0.00 1.83 1.98 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.62 7.81 52 D 8.69 4.32 0.00 2.66 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 53 G 10.42 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.23 5.25 0.00 3.20 3.09 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 0.00 0.00 0.00 55 Y 9.37 4.52 0.00 2.90 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 56 R 8.81 4.87 0.00 1.95 1.87 0.00 3.21 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 57 D 9.38 4.56 0.00 2.76 2.90 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 58 T 9.03 3.95 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 1.23 0.00 0.00 59 V 7.65 3.64 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 0.85 0.00 0.00 0.98 0.00 0.00 60 I 7.80 4.06 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.95 0.00 0.00 61 G 8.53 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 0.00 0.00 0.00 62 D 8.12 4.89 0.00 2.79 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 63 C 8.80 5.42 0.00 2.84 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 64 V 8.66 4.60 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 0.95 0.00 0.00 1.07 0.00 0.00 65 R 8.49 4.57 0.00 1.83 1.88 0.00 3.24 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 66 E 8.64 3.38 0.00 1.52 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.47 0.00 67 E 8.07 4.17 0.00 2.07 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 2.26 2.27 0.00 68 E 8.04 4.70 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 2.23 2.24 0.00 69 C 7.91 4.83 0.00 2.90 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 70 D 8.15 4.69 0.00 2.73 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 71 Q 7.80 4.51 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 72 H 8.84 4.80 0.00 3.09 3.16 0.00 5.72 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 73 E 8.44 4.73 0.00 1.96 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 2.38 0.00 74 I 7.67 4.30 1.89 0.00 0.00 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 1.36 0.61 0.92 0.00 0.00 75 I 8.22 4.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.93 0.00 0.00 76 H 8.41 4.39 0.00 3.02 3.15 0.00 5.93 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