NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3794 8.2649 122.4652 51.9021 22.0782 178.8575 2 K 4.5788 8.7630 121.8614 56.6181 35.9523 170.8795 3 T 5.4664 8.1740 114.1133 59.6848 72.0489 172.4445 4 I 3.8594 8.3583 123.4878 62.0130 38.6366 173.6596 5 K 3.7240 8.3527 131.7072 56.7563 30.2171 175.3438 6 I 4.7785 8.6185 118.5628 59.3311 37.2870 173.8139 7 T 4.5463 8.1472 119.8012 62.3215 70.7895 174.3812 8 Q 4.6140 8.5232 126.6618 55.2483 30.7195 175.5601 9 T 4.4907 8.4538 117.2155 60.8346 70.7579 173.9838 10 R 4.1901 8.1349 121.1845 57.1335 30.5639 176.8527 11 S 4.4058 9.7905 109.2641 59.3946 62.5535 166.5921 12 A 4.4353 8.1208 130.8241 52.7420 24.5252 176.9968 13 I 4.2094 7.6906 108.0976 61.0485 39.0697 175.3755 14 G 4.0408 8.8697 110.5645 45.8247 0.0000 174.0297 15 R 4.2272 7.5269 117.2463 55.7009 31.1281 176.0679 16 L 4.2712 8.1660 118.5447 53.8921 42.2763 176.6730 17 P 4.2887 0.0000 0.0000 65.9056 31.1070 179.3038 18 K 4.0903 7.9008 116.7904 59.8524 32.0771 178.4928 19 H 4.2625 7.9622 116.2938 58.9041 28.4579 177.8149 20 K 3.9704 8.1189 120.0385 60.0251 32.4932 178.4689 21 A 4.1460 7.6298 121.0904 55.3047 18.3432 179.7006 22 T 3.9162 7.9713 108.3281 64.7136 68.6434 176.4014 23 L 4.1647 7.4822 119.9584 56.5445 41.5410 178.9108 24 L 4.2704 7.8841 120.1967 57.5375 41.5645 179.1610 25 G 3.8099 7.8272 106.5134 47.4963 0.0000 173.1718 26 L 4.7791 7.3685 119.4602 52.4194 44.1973 177.6882 27 G 3.8493 8.7579 110.3478 46.8129 0.0000 173.5382 28 L 3.8430 6.9261 119.5472 55.1048 42.2345 176.6451 29 R 4.2559 8.6415 119.0342 56.3906 33.6479 175.0810 30 R 3.5216 8.3868 116.5020 57.4904 28.8103 174.1782 31 I 4.7388 7.2066 112.9461 63.0090 39.3712 178.0264 32 G 3.5275 8.0101 109.8904 48.4117 0.0000 173.2682 33 H 4.1228 7.6033 119.3479 57.3591 30.1935 173.4926 34 T 5.4971 8.0224 118.9017 60.1933 70.8711 172.8030 35 V 4.4281 7.8358 123.4502 62.1009 35.4080 172.4069 36 E 5.6871 9.3390 118.0275 53.9498 34.1965 174.9582 37 R 4.6011 8.1165 116.3568 55.4617 32.9635 173.1771 38 E 4.2759 8.1459 119.5204 57.0596 30.0336 177.8636 39 D 4.5976 8.4390 126.9541 53.9005 40.6236 175.3475 40 T 4.3284 7.3218 115.1956 60.6436 68.6311 172.9793 41 P 4.4629 0.0000 0.0000 65.9063 31.0728 178.3801 42 A 4.0531 8.0706 120.0361 54.9675 18.2529 179.3232 43 I 3.5852 7.6344 115.5639 64.0573 37.2230 178.0446 44 R 3.9376 8.6604 120.0612 59.0319 29.6797 178.2514 45 G 3.9853 7.6251 104.0704 46.8448 0.0000 175.3053 46 M 3.9903 8.4555 120.8082 58.8410 31.7902 178.5547 47 I 3.7650 8.1263 120.0435 64.3910 37.3554 178.0175 48 N 4.4109 7.6442 117.4961 56.1282 38.0596 177.3498 49 A 4.0108 7.9706 121.4659 55.0227 18.6987 179.2468 50 V 4.0033 7.2891 115.5214 63.2778 31.6784 177.5066 51 S 4.1707 7.4707 114.8900 59.8387 62.0761 174.9339 52 F 4.6910 8.0020 124.0197 60.9799 39.8031 176.6836 53 M 4.3813 7.7054 115.0329 55.8577 31.9215 174.9542 54 V 4.7098 7.5158 119.8193 61.5983 34.3440 174.2090 55 K 4.7434 8.5621 125.2011 54.4189 36.1308 176.9437 56 V 4.6572 8.1513 114.5617 60.7273 33.1677 176.4686 57 E 4.5838 7.9190 119.2590 55.2466 29.8995 174.6064 58 E 4.1443 8.4143 123.9251 57.0598 29.9501 177.2647 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 A 8.26 4.38 1.04 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 0.00 0.00 2 K 8.76 4.58 0.00 1.79 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.51 7.81 3 T 8.17 5.47 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 1.20 0.00 0.00 4 I 8.36 3.86 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 1.34 0.92 0.90 0.00 0.00 5 K 8.35 3.72 0.00 2.04 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 6 I 8.62 4.78 1.84 0.00 0.00 0.82 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 0.93 0.93 0.00 0.00 7 T 8.15 4.55 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 8 Q 8.52 4.61 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 9 T 8.45 4.49 4.09 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 1.13 0.00 0.00 10 R 8.13 4.19 0.00 1.75 1.90 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 S 9.79 4.41 0.00 3.93 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 12 A 8.12 4.44 1.23 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 0.00 0.00 0.00 13 I 7.69 4.21 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 1.36 0.95 0.91 0.00 0.00 14 G 8.87 4.04 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 0.00 0.00 0.00 15 R 7.53 4.23 0.00 1.86 2.00 0.00 3.45 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 16 L 8.17 4.27 0.00 1.51 1.50 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.29 0.00 2.14 2.11 0.00 3.57 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 2.11 2.19 0.00 18 K 7.90 4.09 0.00 1.79 1.85 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.57 7.81 19 H 7.96 4.26 0.00 3.37 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.12 3.97 0.00 1.92 1.99 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.68 7.81 21 A 7.63 4.15 1.49 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 22 T 7.97 3.92 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 1.33 0.00 0.00 23 L 7.48 4.16 0.00 1.84 1.78 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.88 4.27 0.00 1.97 1.71 0.93 0.96 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 G 7.83 3.81 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 0.00 0.00 0.00 26 L 7.37 4.78 0.00 1.66 1.52 0.91 0.74 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 27 G 8.76 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 28 L 6.93 3.84 0.00 1.81 1.67 0.92 0.82 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 29 R 8.64 4.26 0.00 1.79 1.80 0.00 3.52 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 30 R 8.39 3.52 0.00 1.92 1.93 0.00 3.32 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 31 I 7.21 4.74 1.86 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 1.29 2.29 0.93 0.00 0.00 32 G 8.01 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.60 4.12 0.00 3.24 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.02 5.50 4.25 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 0.00 0.00 1.26 0.00 0.00 35 V 7.84 4.43 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 0.93 0.00 0.00 0.77 0.00 0.00 36 E 9.34 5.69 0.00 1.82 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 2.19 2.14 0.00 37 R 8.12 4.60 0.00 1.90 2.11 0.00 3.29 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 38 E 8.15 4.28 0.00 1.93 1.90 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 2.31 2.35 0.00 39 D 8.44 4.60 0.00 2.61 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 40 T 7.32 4.33 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 1.27 0.00 0.00 41 P 0.00 4.46 0.00 2.19 2.10 0.00 3.65 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 2.12 2.17 0.00 42 A 8.07 4.05 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 43 I 7.63 3.59 2.06 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 2.03 1.04 0.00 0.00 44 R 8.66 3.94 0.00 2.08 2.10 0.00 3.18 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 45 G 7.63 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 46 M 8.46 3.99 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 47 I 8.13 3.77 1.87 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 1.51 1.21 0.91 0.00 0.00 48 N 7.64 4.41 0.00 3.06 2.88 0.00 0.00 6.93 7.79 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 49 A 7.97 4.01 1.35 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 0.00 0.00 50 V 7.29 4.00 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 0.95 0.00 0.00 1.02 0.00 0.00 51 S 7.47 4.17 0.00 3.92 4.02 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 52 F 8.00 4.69 0.00 3.03 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 53 M 7.71 4.38 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 54 V 7.52 4.71 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 0.74 0.00 0.00 0.88 0.00 0.00 55 K 8.56 4.74 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.50 7.81 56 V 8.15 4.66 2.19 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 0.76 0.00 0.00 0.92 0.00 0.00 57 E 7.92 4.58 0.00 2.02 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 2.18 2.29 0.00 58 E 8.41 4.14 0.00 2.07 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 2.26 2.35 0.00