NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9113 8.3549 109.7348 45.4522 0.0000 176.5199 2 S 4.4405 8.7508 120.3190 56.1667 63.9931 171.7989 3 S 4.3667 8.9032 119.9147 60.0840 63.6940 173.6519 4 G 4.1198 7.5183 104.9827 44.5984 0.0000 171.5386 5 S 4.6069 8.2471 114.3792 56.4137 63.6972 173.8631 6 S 4.2565 8.8653 123.2358 60.8270 63.0174 173.3926 7 G 4.3563 7.6297 109.7567 44.5216 0.0000 171.2627 8 D 4.7051 8.4427 120.4840 53.2739 45.0922 174.3769 9 Y 4.7252 8.8573 121.7585 57.5603 39.9218 174.4052 10 C 5.1474 8.3665 120.2444 56.6954 32.0740 172.9571 11 K 4.4742 8.6661 125.1305 55.5945 33.6264 175.3786 12 V 4.3317 9.0729 128.7494 62.4832 31.9043 175.9857 13 I 4.4631 8.7468 120.8627 60.8125 40.0199 175.5069 14 F 4.8679 7.9161 121.2634 54.5426 40.7300 173.9567 15 P 4.7488 0.0000 0.0000 63.1474 31.5884 175.0090 16 Y 5.1436 9.3092 123.9696 55.8009 43.0046 173.7943 17 E 4.4901 7.0790 122.9502 53.6627 31.9153 175.0969 18 A 3.9621 7.7887 130.6786 52.5121 18.9431 177.1086 19 Q 4.0400 9.5327 125.7270 58.3828 29.5873 175.5119 20 N 5.1558 7.6886 112.9294 50.7875 42.4472 174.7257 21 D 4.4344 8.9534 119.3041 58.1991 41.2697 178.1708 22 D 4.6558 8.4887 118.0613 57.7218 41.4979 177.3481 23 E 4.7375 8.1938 116.4764 56.3242 30.1583 176.1887 24 L 4.7753 9.0064 125.8810 53.8878 44.2199 175.8074 25 T 4.6128 8.5324 122.3578 62.6291 69.3577 174.1174 26 I 4.7159 8.2562 120.4923 58.9903 40.9539 174.7629 27 K 5.0105 8.4912 122.4095 54.1752 35.7335 175.1395 28 E 4.1243 8.6128 122.9090 57.3428 30.0125 176.7415 29 G 4.2923 9.6575 118.8360 45.4752 0.0000 172.6086 30 D 4.8499 8.0411 117.0461 52.3891 45.6661 174.4866 31 I 4.8143 8.3076 122.3799 59.7263 39.2735 175.1147 32 V 4.2313 8.3470 126.1834 61.0672 34.4624 174.5510 33 T 3.9270 7.8893 124.6205 62.8903 69.3496 173.6704 34 L 4.3400 8.9263 130.5352 55.7989 41.9884 176.8194 35 I 4.0324 8.6987 128.4052 63.6933 36.8627 175.9005 36 N 5.0407 7.7540 119.3912 51.5711 42.6195 173.4075 37 K 4.1758 8.6743 124.0212 56.3245 33.3332 175.7551 38 D 4.8951 8.9626 120.8270 52.5983 43.1328 175.5600 39 C 4.2505 8.6336 120.1800 60.0728 28.6875 175.6304 40 I 3.6271 8.1858 121.5896 64.5930 36.9567 176.5326 41 D 4.4386 7.8873 120.9755 54.1477 40.9376 176.2771 42 V 3.7843 8.0209 124.0181 62.6289 32.8051 175.1147 43 G 3.4157 7.6059 111.5369 44.7118 0.0000 173.5207 44 W 5.1928 7.0044 118.3437 54.9278 32.4541 174.8006 45 W 5.1431 8.4053 120.6613 55.8363 33.9729 172.8299 46 E 4.8111 8.4576 122.3196 54.5172 31.8179 175.1078 47 G 4.7116 8.8730 111.8437 45.1469 0.0000 170.3834 48 E 5.7351 8.9445 120.6777 53.5189 31.9582 174.5345 49 L 4.6127 8.0973 127.8701 53.9534 45.7970 175.5535 50 N 4.4588 9.6212 123.9985 54.5822 36.3934 173.9895 51 G 3.9495 8.2866 99.8206 46.5453 0.0000 173.5836 52 R 4.6776 7.5866 115.2523 54.4891 34.7849 175.5829 53 R 4.6447 8.3976 117.6361 55.0083 32.2146 174.7861 54 G 4.3111 8.2444 108.7508 45.3112 0.0000 171.7735 55 V 4.3186 8.9982 114.5082 61.1084 33.4596 175.4036 56 F 5.1244 8.3789 115.6659 55.1971 41.7149 172.0045 57 P 4.0081 0.0000 0.0000 62.5447 31.0609 176.1654 58 D 4.5904 8.4920 124.8048 57.4619 41.1667 178.0948 59 N 4.0435 8.0899 115.4491 56.8048 38.6037 175.4140 60 F 3.8781 8.5625 116.5357 60.0876 39.0889 175.5962 61 V 4.3883 7.7871 112.5965 59.8849 33.9487 175.3562 62 K 4.8481 8.3334 117.9169 55.1307 36.9087 175.7704 63 L 4.5222 8.5475 122.2414 53.7967 42.7199 176.4910 64 L 4.3817 8.1763 124.8438 54.1936 42.6543 177.2595 65 S 4.2484 9.0085 120.4685 59.7237 63.2100 174.9865 66 G 4.1836 7.2945 108.8542 44.3083 0.0000 170.6147 67 P 4.3217 0.0000 0.0000 62.6963 31.9393 175.7695 68 S 4.4011 8.8454 118.0475 59.4674 63.0889 173.4909 69 S 4.8162 7.8685 111.1475 55.6901 65.8862 173.9217 70 G 3.7595 8.3848 108.1842 46.6409 0.0000 172.8811 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 3.91 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 2 S 8.75 4.44 0.00 3.93 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 3 S 8.90 4.37 0.00 3.81 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 4 G 7.52 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 0.00 0.00 0.00 5 S 8.25 4.61 0.00 3.80 3.74 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 6 S 8.87 4.26 0.00 3.86 3.87 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 7 G 7.63 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 8 D 8.44 4.71 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.86 4.73 0.00 2.86 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 10 C 8.37 5.15 0.00 2.75 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 11 K 8.67 4.47 0.00 1.87 1.70 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 12 V 9.07 4.33 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 1.02 0.00 0.00 0.89 0.00 0.00 13 I 8.75 4.46 2.05 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 1.63 1.14 0.97 0.00 0.00 14 F 7.92 4.87 0.00 2.79 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 15 P 0.00 4.75 0.00 2.14 2.09 0.00 3.42 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 16 Y 9.31 5.14 0.00 3.03 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 17 E 7.08 4.49 0.00 1.79 1.53 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 0.00 2.06 2.18 0.00 18 A 7.79 3.96 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 19 Q 9.53 4.04 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 20 N 7.69 5.16 0.00 2.75 2.66 0.00 0.00 7.07 8.08 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 21 D 8.95 4.43 0.00 2.66 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 22 D 8.49 4.66 0.00 2.59 2.73 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 23 E 8.19 4.74 0.00 2.10 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 2.48 2.34 0.00 24 L 9.01 4.78 0.00 1.75 1.81 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.53 4.61 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 1.21 0.00 0.00 26 I 8.26 4.72 1.85 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 1.41 0.91 0.85 0.00 0.00 27 K 8.49 5.01 0.00 1.64 1.76 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81 28 E 8.61 4.12 0.00 1.98 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 2.30 2.37 0.00 29 G 9.66 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 30 D 8.04 4.85 0.00 2.54 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.31 4.81 1.79 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 1.30 0.43 0.76 0.00 0.00 32 V 8.35 4.23 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 1.07 0.00 0.00 0.78 0.00 0.00 33 T 7.89 3.93 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 1.28 0.00 0.00 34 L 8.93 4.34 0.00 1.67 1.51 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.70 4.03 1.89 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 1.28 0.95 0.92 0.00 0.00 36 N 7.75 5.04 0.00 2.73 2.58 0.00 0.00 7.05 6.62 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 37 K 8.67 4.18 0.00 1.71 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.20 1.35 7.81 38 D 8.96 4.90 0.00 2.85 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 39 C 8.63 4.25 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 40 I 8.19 3.63 1.89 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 1.43 0.36 0.93 0.00 0.00 41 D 7.89 4.44 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.78 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 0.46 0.00 0.00 0.96 0.00 0.00 43 G 7.61 3.42 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 0.00 44 W 7.00 5.19 0.00 3.25 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 45 W 8.41 5.14 0.00 2.94 2.54 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 0.00 46 E 8.46 4.81 0.00 2.01 1.74 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 2.24 2.20 0.00 47 G 8.87 4.71 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 48 E 8.94 5.74 0.00 2.07 1.80 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 2.21 2.26 0.00 49 L 8.10 4.61 0.00 1.74 1.45 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.62 4.46 0.00 2.90 2.88 0.00 0.00 7.08 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 51 G 8.29 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 0.00 0.00 0.00 52 R 7.59 4.68 0.00 2.16 1.80 0.00 3.09 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 53 R 8.40 4.64 0.00 1.75 1.84 0.00 3.24 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 54 G 8.24 4.31 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 55 V 9.00 4.32 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 0.74 0.00 0.00 0.95 0.00 0.00 56 F 8.38 5.12 0.00 2.95 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 57 P 0.00 4.01 0.00 1.87 1.52 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 0.00 58 D 8.49 4.59 0.00 1.58 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 59 N 8.09 4.04 0.00 2.50 2.82 0.00 0.00 6.87 6.80 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 60 F 8.56 3.88 0.00 3.27 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 61 V 7.79 4.39 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 0.37 0.00 0.00 1.27 0.00 0.00 62 K 8.33 4.85 0.00 1.69 1.67 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.53 7.81 63 L 8.55 4.52 0.00 1.61 1.63 0.76 1.01 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 64 L 8.18 4.38 0.00 1.64 1.64 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.01 4.25 0.00 3.87 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 66 G 7.29 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 0.00 0.00 0.00 67 P 0.00 4.32 0.00 2.18 2.08 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 68 S 8.85 4.40 0.00 3.84 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 69 S 7.87 4.82 0.00 3.97 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 70 G 8.38 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 0.00 0.00 0.00