NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1763 8.2549 117.2659 54.8776 30.9979 175.1134 2 P 4.0604 0.0000 0.0000 61.9744 32.0518 176.0035 3 D 4.3988 8.6752 122.8225 57.5236 41.5474 178.8275 4 F 4.3895 8.0030 114.1707 59.6461 37.7447 177.7954 5 C 4.5986 7.5487 116.3301 59.0524 40.0194 174.7574 6 L 4.2506 7.7855 119.0633 54.5234 42.0141 176.8468 7 E 4.2809 7.3949 119.3342 54.9388 30.1602 175.0849 8 P 4.3845 0.0000 0.0000 61.7267 32.0333 174.5429 9 P 3.7451 0.0000 0.0000 62.7344 31.4607 175.5317 10 Y 4.4808 7.7799 120.3947 55.6072 40.1338 174.9097 11 A 4.1907 8.3923 131.8540 53.2782 18.8583 178.6737 12 G 3.7257 6.5603 103.3963 44.5703 0.0000 172.6807 13 A 4.1851 8.2166 119.6240 53.5300 19.2909 178.6205 14 C 4.5660 7.8099 113.4203 57.0452 41.0498 173.8711 15 R 4.4767 8.1598 116.8236 56.0420 30.3048 176.4274 16 A 4.2257 7.7882 121.0036 51.7253 20.1907 177.5648 17 R 4.3755 8.4049 119.3789 54.3445 31.3596 173.5013 18 I 4.4969 8.3703 125.7673 58.9840 40.1380 174.7442 19 I 4.3461 8.3770 128.5660 61.0882 37.8169 175.4532 20 R 4.9051 8.5260 124.9649 54.6897 34.9257 173.5060 21 Y 5.5183 9.3704 117.5328 56.5243 41.0492 175.3819 22 F 5.7689 9.4582 116.8916 55.3303 42.2556 172.9644 23 Y 4.3741 9.9359 122.7440 57.3100 40.0379 173.8105 24 N 4.7276 8.1407 126.6734 52.0958 38.9688 175.3458 25 A 3.7412 8.4413 130.2929 54.4315 19.1887 178.6968 26 K 4.0155 8.1889 116.2457 59.5825 32.4084 178.0284 27 A 3.9748 8.3524 120.5759 52.9591 18.4100 177.8767 28 G 4.0544 8.3880 103.3738 45.5826 0.0000 172.7748 29 L 4.4399 6.7674 118.0968 55.1022 43.7031 173.4073 30 C 5.0613 8.7084 116.7006 55.9878 40.9871 173.5882 31 Q 4.9260 8.5434 122.1277 54.0274 32.5389 174.9156 32 T 4.7607 8.3913 110.9904 61.5297 70.4706 173.5480 33 F 5.0174 9.0612 117.1953 55.9179 42.1180 172.9460 34 V 4.3351 8.3997 119.6677 61.8456 32.4004 174.1270 35 Y 4.7662 8.7391 130.2501 56.1948 40.6472 176.0693 36 G 3.9434 8.1042 112.4556 45.6427 0.0000 175.1406 37 G 3.7669 6.4239 108.4488 44.9420 0.0000 174.0254 38 C 5.0288 6.6401 114.9828 56.2365 44.1120 173.3840 39 R 3.9225 8.9147 118.2367 56.8863 26.9007 176.6166 40 A 4.0770 8.5090 119.3622 52.9666 18.6559 178.5937 41 K 4.3640 8.2909 121.0393 54.9028 34.1661 176.9238 42 R 3.6466 8.0815 117.7331 58.8053 30.4533 177.5364 43 N 4.8073 7.8535 117.8837 51.0503 37.3454 174.1250 44 N 4.9605 6.6024 114.9448 53.1916 40.8750 173.0983 45 F 5.0469 9.3730 124.9773 55.5758 42.4246 176.6991 46 K 4.3568 8.8542 121.5642 58.1194 32.6927 177.6725 47 S 4.4205 7.7142 112.7311 55.4974 67.0550 174.5911 48 A 3.3870 7.2771 124.5437 54.9799 18.0041 179.6591 49 E 3.7345 7.8304 117.2436 59.6058 29.7428 178.7193 50 D 4.2612 8.0015 118.8020 57.2869 40.7831 177.8589 51 C 2.4500 7.6409 118.8684 59.1053 44.3464 175.7761 52 L 3.7480 7.8858 120.8006 57.6123 40.9613 179.3167 53 R 3.7744 7.8535 118.0565 59.7202 30.0129 178.4683 54 T 4.0609 7.4690 114.3832 66.1749 68.7361 175.5022 55 C 4.5225 7.9127 115.5354 56.7971 41.9037 175.7067 56 G 3.4435 7.8206 109.5792 47.8270 0.0000 174.9871 57 G 3.5875 7.6107 107.7726 44.3007 0.0000 173.2181 58 A 4.1113 8.6515 123.9024 52.5739 18.2288 177.5682 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 R 8.25 4.18 0.00 1.81 1.97 0.00 3.02 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 2 P 0.00 4.06 0.00 1.37 1.68 0.00 3.29 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 1.92 2.00 0.00 3 D 8.68 4.40 0.00 2.72 2.76 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 4 F 8.00 4.39 0.00 3.23 3.33 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 5 C 7.55 4.60 0.00 2.95 3.14 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 0.00 0.00 0.00 0.00 6 L 7.79 4.25 0.00 1.74 1.77 0.94 0.86 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 7 E 7.39 4.28 0.00 2.08 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 2.51 2.46 0.00 8 P 0.00 4.38 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.75 0.00 0.61 0.49 0.00 3.32 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.78 4.48 0.00 2.81 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 11 A 8.39 4.19 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 12 G 6.56 3.73 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 0.00 0.00 0.00 13 A 8.22 4.19 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 14 C 7.81 4.57 0.00 2.93 2.94 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 15 R 8.16 4.48 0.00 1.72 1.85 0.00 3.17 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 16 A 7.79 4.23 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 17 R 8.40 4.38 0.00 1.73 1.78 0.00 3.15 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.37 4.50 2.02 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 1.21 0.48 0.98 0.00 0.00 19 I 8.38 4.35 1.83 0.00 0.00 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 1.31 0.70 0.74 0.00 0.00 20 R 8.53 4.91 0.00 0.90 1.93 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 21 Y 9.37 5.52 0.00 3.20 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 22 F 9.46 5.77 0.00 3.25 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 23 Y 9.94 4.37 0.00 3.07 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 24 N 8.14 4.73 0.00 2.35 2.44 0.00 0.00 6.66 8.38 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 25 A 8.44 3.74 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.02 0.00 1.72 1.96 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 8.35 3.97 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 28 G 8.39 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 29 L 6.77 4.44 0.00 1.70 1.74 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.71 5.06 0.00 2.90 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 31 Q 8.54 4.93 0.00 1.38 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 32 T 8.39 4.76 4.03 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 0.73 0.00 0.00 33 F 9.06 5.02 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 34 V 8.40 4.34 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.74 4.77 0.00 2.55 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 36 G 8.10 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 0.00 0.00 0.00 37 G 6.42 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 38 C 6.64 5.03 0.00 2.91 2.97 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 39 R 8.91 3.92 0.00 2.20 2.26 0.00 3.34 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 40 A 8.51 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 4.36 0.00 1.72 1.68 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.14 1.13 7.81 42 R 8.08 3.65 0.00 1.09 0.66 0.00 2.32 0.00 0.00 2.83 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 43 N 7.85 4.81 0.00 3.19 2.91 0.00 0.00 6.72 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 44 N 6.60 4.96 0.00 2.75 2.69 0.00 0.00 7.09 7.02 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 45 F 9.37 5.05 0.00 3.25 2.98 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 46 K 8.85 4.36 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.49 7.81 47 S 7.71 4.42 0.00 3.83 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 48 A 7.28 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.83 3.73 0.00 1.95 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 2.31 2.34 0.00 50 D 8.00 4.26 0.00 2.94 2.84 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 0.00 0.00 0.00 51 C 7.64 2.45 0.00 2.79 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 3.75 0.00 1.65 1.60 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.85 3.77 0.00 1.78 2.06 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.47 4.06 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 1.50 0.00 0.00 55 C 7.91 4.52 0.00 2.62 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 0.00 0.00 0.00 0.00 56 G 7.82 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.11 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