NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1814 8.1801 122.4920 54.9301 43.1086 179.7657 2 A 4.4388 8.7392 115.4837 50.3741 20.5234 174.9235 3 A 4.5489 7.9119 121.3590 51.2307 23.0613 174.7587 4 V 4.3103 8.2957 119.0272 60.3171 32.2214 175.4338 5 S 4.8877 8.5991 119.9351 56.4264 65.9392 173.5056 6 V 4.3919 8.1259 120.8746 61.1002 33.1698 174.1894 7 D 4.7481 8.7202 126.7118 53.5735 42.1898 176.2958 8 C 4.9908 8.6393 121.8220 56.7298 41.5735 175.5961 9 S 4.1747 8.5025 117.8488 61.6463 62.3683 176.3502 10 E 4.6111 8.1359 115.2060 56.5642 30.0668 174.9901 11 Y 4.5904 7.7328 116.1949 56.4615 40.5317 173.6162 12 P 5.6798 0.0000 0.0000 60.8479 33.0457 175.0853 13 K 4.3414 8.6885 120.9580 54.0934 32.5221 174.0815 14 P 4.1349 0.0000 0.0000 64.4355 31.8264 175.7470 15 A 4.7381 7.2182 122.7415 50.7208 21.1098 175.2562 16 C 4.9652 7.9998 112.0041 55.2205 43.7864 174.2664 17 T 4.2436 8.9228 113.9027 64.6293 70.0284 174.4255 18 M 4.9827 6.9236 120.2668 54.7268 33.0708 177.5219 19 E 4.2596 7.8648 121.1745 55.9337 31.3935 177.4661 20 Y 4.6898 8.6983 122.5081 56.0941 39.3467 175.3845 21 R 4.4298 8.0746 127.2378 53.4708 31.8385 173.5501 22 P 5.3155 0.0000 0.0000 61.5829 33.6913 174.9272 23 L 4.8938 9.0368 119.5672 52.9287 46.3331 175.1250 24 C 5.2199 8.6079 119.8848 54.7731 47.3804 173.8992 25 G 4.3268 9.1016 113.8218 45.8707 0.0000 174.1452 26 S 4.2127 9.1551 117.3595 61.7462 62.7989 176.3326 27 D 4.4721 8.0778 116.4996 53.6820 39.9470 175.1671 28 N 4.2311 8.1649 116.2530 54.9238 36.2331 173.9472 29 K 4.6816 8.2511 116.2656 54.8738 36.5961 176.7379 30 T 4.8512 8.2681 119.6101 62.6235 69.9601 173.7555 31 Y 4.1479 9.3367 125.7800 56.9925 39.2977 176.7405 32 G 4.1150 8.9501 114.7094 48.1909 0.0000 172.5023 33 N 5.8436 7.7531 117.4581 49.9191 41.5302 174.7277 34 K 3.9358 8.6120 120.0287 59.9139 31.8985 178.9752 35 C 4.4088 8.2568 118.0177 59.3773 41.8951 175.0840 36 N 4.4639 8.1151 118.1151 56.0177 38.2540 176.8876 37 F 3.6974 8.0379 121.9847 61.5121 39.4906 176.8780 38 C 3.9436 8.2824 116.1635 59.4052 38.8786 176.0226 39 N 4.2948 7.7074 117.1229 56.1996 37.9710 177.2573 40 A 3.9535 7.1514 120.5694 54.6525 18.8828 179.5291 41 V 3.2960 7.2082 116.8730 65.2640 31.5114 178.3754 42 V 3.6329 7.1965 118.3590 65.5964 31.3078 177.4829 43 E 4.2600 8.1264 114.4977 56.9070 29.1288 177.4593 44 S 4.4247 7.9110 115.7277 57.4755 65.2118 173.0048 45 N 4.1067 8.3373 113.6849 52.9729 36.6686 171.6537 46 G 4.1144 8.1322 109.0917 45.6528 0.0000 172.7716 47 T 4.7176 7.2871 107.4967 61.0009 68.9498 174.0676 48 L 4.7208 7.2840 122.9574 53.8651 45.0985 175.2368 49 T 4.6849 9.0510 114.5447 60.6176 73.1315 171.7985 50 L 4.7198 8.4279 123.9758 53.8999 41.9479 176.2893 51 S 4.4639 8.8286 122.8085 60.0144 64.0417 173.9767 52 H 4.3265 7.2026 115.5461 55.0704 29.6866 173.2258 53 F 4.2041 8.5811 119.2332 58.2306 39.3625 174.8795 54 G 3.7165 8.3081 109.9528 44.3293 0.0000 173.2007 55 K 4.3744 8.1285 117.6759 55.5524 33.3117 178.0330 56 C 4.5291 9.2188 117.7608 57.4634 41.1730 173.9586 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 L 8.18 4.18 0.00 1.63 0.83 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.74 4.44 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 3 A 7.91 4.55 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 4 V 8.30 4.31 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 0.88 0.00 0.00 0.82 0.00 0.00 5 S 8.60 4.89 0.00 3.91 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 6 V 8.13 4.39 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 0.81 0.00 0.00 0.61 0.00 0.00 7 D 8.72 4.75 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.64 4.99 0.00 2.96 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 9 S 8.50 4.17 0.00 4.01 3.98 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 10 E 8.14 4.61 0.00 1.98 2.01 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 2.25 2.29 0.00 11 Y 7.73 4.59 0.00 3.16 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 12 P 0.00 5.68 0.00 2.20 2.08 0.00 3.36 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 13 K 8.69 4.34 0.00 1.71 1.84 0.00 1.23 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.69 7.81 14 P 0.00 4.13 0.00 2.03 2.04 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 15 A 7.22 4.74 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 16 C 8.00 4.97 0.00 3.09 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 17 T 8.92 4.24 4.27 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 1.23 0.00 0.00 18 M 6.92 4.98 0.00 2.05 1.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 19 E 7.86 4.26 0.00 2.17 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 2.31 2.40 0.00 20 Y 8.70 4.69 0.00 2.83 2.93 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 0.00 0.00 0.00 21 R 8.07 4.43 0.00 1.73 1.76 0.00 3.17 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 22 P 0.00 5.32 0.00 2.08 2.12 0.00 3.17 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.97 0.00 23 L 9.04 4.89 0.00 1.23 0.79 0.37 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.61 5.22 0.00 2.93 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 4.33 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 0.00 26 S 9.16 4.21 0.00 3.85 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 27 D 8.08 4.47 0.00 2.84 2.85 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 28 N 8.16 4.23 0.00 2.92 2.98 0.00 0.00 6.73 7.12 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 29 K 8.25 4.68 0.00 1.55 1.35 0.00 1.58 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.64 7.81 30 T 8.27 4.85 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 1.25 0.00 0.00 31 Y 9.34 4.15 0.00 3.04 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 32 G 8.95 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 33 N 7.75 5.84 0.00 2.95 3.01 0.00 0.00 6.37 6.44 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 34 K 8.61 3.94 0.00 1.87 1.90 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.26 1.45 7.81 35 C 8.26 4.41 0.00 3.36 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 36 N 8.12 4.46 0.00 3.22 3.11 0.00 0.00 6.81 8.13 0.00 0.00 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 F 8.04 3.70 0.00 2.98 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 38 C 8.28 3.94 0.00 2.13 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.71 4.29 0.00 2.89 2.88 0.00 0.00 6.74 7.75 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 40 A 7.15 3.95 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 41 V 7.21 3.30 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 0.73 0.00 0.00 0.06 0.00 0.00 42 V 7.20 3.63 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 0.96 0.00 0.00 0.98 0.00 0.00 43 E 8.13 4.26 0.00 2.04 1.94 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 2.33 2.45 0.00 44 S 7.91 4.42 0.00 3.95 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 0.00 45 N 8.34 4.11 0.00 2.79 2.78 0.00 0.00 7.48 7.86 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 46 G 8.13 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.29 4.72 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 48 L 7.28 4.72 0.00 1.32 1.29 1.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.05 4.68 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 1.20 0.00 0.00 50 L 8.43 4.72 0.00 1.40 1.45 -0.04 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.83 4.46 0.00 3.91 3.96 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 52 H 7.20 4.33 0.00 3.39 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.58 4.20 0.00 3.00 2.93 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 0.00 0.00 0.00 54 G 8.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.13 4.37 0.00 1.79 1.78 0.00 1.85 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 56 C 9.22 4.53 0.00 2.93 3.01 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