NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3129 8.0976 120.8597 55.3649 31.2706 176.1897 5 P 4.0532 0.0000 0.0000 65.2553 31.0405 177.1186 6 A 3.9322 8.0663 120.5566 55.0295 18.8982 180.3997 7 L 3.9808 7.9777 120.9160 58.8353 42.2235 179.8440 8 R 3.9315 8.2101 120.8095 61.5438 29.4088 180.6784 9 Q 4.1607 8.2710 120.8246 58.8208 28.9573 177.7847 10 C 4.0775 8.3757 120.2242 62.8078 31.7031 174.9613 11 C 4.3282 8.7081 118.3666 60.1828 39.5455 175.9446 12 N 4.2672 8.1312 117.1216 56.3172 38.3813 177.2282 13 Q 4.1552 8.2143 119.5657 58.8576 28.7561 178.5068 14 L 4.0606 8.3635 120.4418 57.7420 41.4350 179.3945 15 R 4.1195 7.9683 116.2888 58.0691 30.1000 177.4247 16 Q 4.2648 7.8066 116.8947 56.8656 29.5166 176.5417 17 V 3.8644 7.2471 117.7153 61.9471 32.3274 175.4345 18 D 4.4816 8.5637 125.3780 54.5548 41.6426 177.3599 19 R 3.9157 8.9868 123.2501 59.1439 30.0561 176.8720 20 P 4.4707 0.0000 0.0000 64.3232 31.4488 176.7563 21 C 4.5787 8.1343 116.9899 59.7616 28.7444 175.4900 22 V 3.5947 7.7154 121.3506 66.4334 31.0861 177.2681 23 C 4.3457 8.1037 115.5591 59.4506 34.5297 174.0833 24 P 4.2930 0.0000 0.0000 65.8628 31.0006 179.1124 25 V 3.7513 8.1830 111.3270 64.2587 31.3368 178.6821 26 L 4.1299 8.1516 119.0007 57.4857 41.4267 179.4385 27 R 3.5251 8.4623 119.1537 59.4813 30.0817 178.6310 28 Q 3.9893 8.1114 117.2992 58.7955 28.6486 178.6419 29 A 3.9481 8.1221 121.7175 55.0717 18.3615 179.5855 30 A 3.6842 8.1102 119.5391 55.2595 18.2518 179.9332 31 Q 3.9230 8.1541 116.6385 59.0987 28.7473 178.9659 32 Q 3.9518 8.0049 119.2823 58.7178 28.7123 178.9497 33 V 3.4644 7.6830 119.3235 65.8670 31.3980 177.7013 34 L 3.8857 7.6653 118.8678 58.1914 41.9282 178.6076 35 Q 4.0627 8.0813 118.4201 59.4442 29.2758 178.0989 36 R 4.1360 8.3587 117.1915 57.1565 30.3235 175.9822 37 Q 4.5936 7.6440 116.2211 53.7798 32.0705 174.7687 38 I 4.1561 8.1041 119.6967 60.3025 37.1972 175.6672 39 I 4.5197 8.0565 126.9557 59.5857 38.6020 176.0128 40 Q 4.1176 9.4815 126.0751 58.4963 29.0408 176.1070 41 G 4.1229 7.4537 103.9204 43.2327 0.0000 170.8061 42 P 4.2556 0.0000 0.0000 65.6055 31.1067 178.8199 43 Q 3.9891 7.9729 116.5319 59.1493 28.8152 178.5655 44 Q 4.0074 7.9852 118.5760 58.7969 28.8681 178.1670 45 L 4.0827 8.2885 121.7881 58.2351 42.1021 179.1054 46 R 4.0121 8.4004 119.0653 59.5788 30.0810 178.7844 47 R 4.0004 8.0998 117.9745 58.8064 30.0207 178.6966 48 L 3.8251 8.4317 120.6438 58.4159 42.0843 179.2449 49 F 4.1810 8.2466 117.4253 60.2621 38.8364 177.6477 50 D 4.4603 8.5169 118.8567 57.0871 40.3642 178.5459 51 A 3.9618 7.9852 120.2198 55.0702 18.6074 179.2271 52 A 4.1824 7.9663 119.4689 55.4510 18.5167 180.1200 53 R 3.8491 8.8186 114.9790 59.0184 29.4303 177.7849 54 N 4.7451 8.1539 115.0247 53.3613 38.8588 176.7528 55 L 4.0206 7.7132 122.0459 57.5302 41.6063 177.5576 56 P 4.2436 0.0000 0.0000 65.4928 31.2828 178.4286 57 N 4.3508 8.0305 114.9236 56.3392 38.4599 177.4162 58 I 3.7710 7.9504 120.4915 64.2125 37.2744 176.9467 59 C 4.5014 8.2999 114.6761 55.8970 40.8787 172.7377 60 N 3.9966 7.8673 118.2050 54.4997 37.3329 174.2809 61 I 4.2516 7.8563 118.3988 58.9982 38.1217 174.8906 62 P 4.3330 0.0000 0.0000 63.6610 31.7545 175.5569 63 N 4.2481 8.6674 115.9942 54.9934 36.2435 174.9986 64 I 4.1197 8.0071 115.6733 62.9876 39.5550 177.5072 65 G 3.7483 8.0063 105.6499 44.1790 0.0000 172.1624 66 A 4.2763 8.1363 121.2713 51.8314 18.9609 178.2628 67 C 4.2072 8.3840 121.1633 55.8679 41.2432 173.5638 68 P 4.4397 0.0000 0.0000 62.3852 29.3963 176.1063 69 F 4.8608 7.2819 116.9370 57.6979 40.4442 175.7261 70 R 4.4082 8.1321 122.2364 54.0917 31.8706 175.3829 71 A 3.6728 8.5406 127.0621 52.3885 18.3462 176.7265 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 4 R 8.10 4.31 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 5 P 0.00 4.05 0.00 2.38 2.29 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 6 A 8.07 3.93 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 7 L 7.98 3.98 0.00 1.77 1.81 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.21 3.93 0.00 1.85 1.92 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 9 Q 8.27 4.16 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 10 C 8.38 4.08 0.00 3.06 3.04 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 0.00 0.00 0.00 11 C 8.71 4.33 0.00 3.13 3.12 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 12 N 8.13 4.27 0.00 2.84 2.88 0.00 0.00 7.11 7.30 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 13 Q 8.21 4.16 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 14 L 8.36 4.06 0.00 1.81 1.73 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.97 4.12 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 16 Q 7.81 4.26 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 17 V 7.25 3.86 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 0.77 0.00 0.00 0.99 0.00 0.00 18 D 8.56 4.48 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.99 3.92 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 20 P 0.00 4.47 0.00 2.18 2.17 0.00 3.65 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 1.99 1.99 0.00 21 C 8.13 4.58 0.00 3.15 2.99 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 22 V 7.72 3.59 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 1.04 0.00 0.00 1.03 0.00 0.00 23 C 8.10 4.35 0.00 2.98 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 24 P 0.00 4.29 0.00 2.30 2.14 0.00 3.72 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 2.27 2.22 0.00 25 V 8.18 3.75 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 0.90 0.00 0.00 1.06 0.00 0.00 26 L 8.15 4.13 0.00 2.14 2.02 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.46 3.53 0.00 2.36 2.22 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 28 Q 8.11 3.99 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 29 A 8.12 3.95 1.34 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 0.00 0.00 30 A 8.11 3.68 0.83 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 0.00 0.00 31 Q 8.15 3.92 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 32 Q 8.00 3.95 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 33 V 7.68 3.46 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 0.89 0.00 0.00 0.91 0.00 0.00 34 L 7.67 3.89 0.00 1.65 1.85 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.08 4.06 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 36 R 8.36 4.14 0.00 2.03 1.95 0.00 3.19 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 37 Q 7.64 4.59 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 38 I 8.10 4.16 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.91 0.00 0.00 39 I 8.06 4.52 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.41 0.93 0.00 0.00 40 Q 9.48 4.12 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 41 G 7.45 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 42 P 0.00 4.26 0.00 2.18 2.13 0.00 3.61 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 2.12 2.19 0.00 43 Q 7.97 3.99 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 44 Q 7.99 4.01 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 45 L 8.29 4.08 0.00 1.95 1.90 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.40 4.01 0.00 1.99 2.19 0.00 3.34 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 47 R 8.10 4.00 0.00 2.07 1.97 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 48 L 8.43 3.83 0.00 1.73 1.74 0.70 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.25 4.18 0.00 3.18 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 50 D 8.52 4.46 0.00 2.86 2.77 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 51 A 7.99 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.18 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 53 R 8.82 3.85 0.00 2.19 2.65 0.00 2.84 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 54 N 8.15 4.75 0.00 2.98 2.89 0.00 0.00 6.91 6.75 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 55 L 7.71 4.02 0.00 1.84 1.76 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.29 2.08 0.00 3.64 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 2.07 2.17 0.00 57 N 8.03 4.35 0.00 2.90 2.85 0.00 0.00 7.16 7.49 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 58 I 7.95 3.77 2.00 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 1.53 0.69 0.92 0.00 0.00 59 C 8.30 4.50 0.00 3.00 3.12 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 60 N 7.87 4.00 0.00 2.83 2.85 0.00 0.00 7.08 7.56 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 61 I 7.86 4.25 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.91 0.00 0.00 62 P 0.00 4.33 0.00 2.03 1.98 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 63 N 8.67 4.25 0.00 2.84 2.88 0.00 0.00 6.76 7.45 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 64 I 8.01 4.12 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 0.88 0.00 0.00 65 G 8.01 3.75 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 0.00 0.00 0.00 66 A 8.14 4.28 1.21 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 0.00 0.00 67 C 8.38 4.21 0.00 1.91 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 0.00 0.00 0.00 68 P 0.00 4.44 0.00 2.14 2.04 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 69 F 7.28 4.86 0.00 3.16 2.99 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 70 R 8.13 4.41 0.00 1.68 1.66 0.00 3.20 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 1.38 1.51 0.00 71 A 8.54 3.67 1.29 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