NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5166 8.3049 120.3269 55.2023 33.4064 174.4750 2 E 4.7389 8.5525 121.9478 54.1211 33.6855 173.3742 3 A 4.6978 8.7946 123.4869 50.4066 23.4883 174.8147 4 I 4.7207 8.1525 120.8968 59.5940 41.4434 174.9228 5 A 5.2938 8.8069 127.6817 50.4572 21.6184 175.5651 6 K 4.4534 8.4672 122.2731 56.9747 33.2995 175.8061 7 H 4.4959 8.5614 120.3775 55.3641 32.4462 173.6662 8 D 5.0777 8.8056 126.0319 53.5027 41.5939 174.8181 9 F 4.8456 8.8340 123.9903 55.5154 43.7297 174.4548 10 S 4.7913 8.0703 114.7330 55.7328 62.9956 172.4642 11 A 3.9617 7.2081 128.8970 48.9511 21.0416 176.1583 12 T 4.1851 8.6217 113.4347 63.4045 68.6562 175.2406 13 A 4.4868 7.4415 123.2593 50.8700 20.1358 177.6972 14 D 4.2847 8.6097 119.3930 57.1635 41.9660 176.8464 15 D 4.6074 8.1174 117.0444 53.1378 39.5646 174.3804 16 E 4.6447 7.9453 121.8252 54.6251 30.7050 175.1656 17 L 4.1908 8.5367 130.8604 54.9606 43.0443 176.7014 18 S 4.2326 8.5259 121.3282 57.6853 64.8121 171.8576 19 F 5.1435 7.3281 115.3120 57.0632 41.6265 172.8583 20 R 5.8706 8.6378 115.9201 53.1665 32.9584 175.6210 21 K 4.1686 8.3101 120.5263 58.7496 32.9896 177.4044 22 T 3.4261 8.4107 116.8371 63.8954 66.7994 171.8784 23 Q 4.2880 7.6882 124.0418 55.9460 30.5044 175.0617 24 I 4.3958 8.2897 119.2719 59.7194 38.6328 174.6232 25 L 4.7920 8.4453 127.9006 53.4861 43.3893 175.3934 26 K 4.4948 8.4116 122.2648 55.8370 33.6369 175.0250 27 I 4.6092 8.2814 127.0733 59.7505 39.5474 174.6004 28 L 4.4072 8.9894 130.3810 56.4496 41.9809 176.7800 29 N 4.8995 7.8372 114.0877 51.6192 42.3881 173.7532 30 M 4.1537 9.2461 120.0188 52.4826 33.7746 175.2062 31 E 5.8410 8.0027 134.3332 58.0088 29.0217 178.0592 32 D 4.7047 7.6876 115.5091 55.5991 41.1747 176.8277 33 D 4.7246 7.2532 117.3577 52.3277 41.7203 174.2403 34 S 4.6340 8.4792 117.9987 60.7013 63.1843 175.0609 35 N 4.6781 8.4212 117.3199 54.2976 37.8031 174.4217 36 W 5.4568 7.8777 118.1936 55.0189 31.2156 175.2944 37 Y 4.7060 8.7538 121.1485 56.1865 41.7421 175.0331 38 R 4.7441 8.4737 120.4370 54.9177 32.2979 175.3848 39 A 5.1762 8.3985 125.4768 50.1053 22.7130 174.3525 40 E 5.0727 9.6682 119.7370 54.8693 33.9664 174.6516 41 L 4.4539 9.0152 124.8321 55.4296 45.3285 174.4216 42 D 4.4077 10.2791 123.8263 55.1883 39.7922 173.7426 43 G 4.0367 8.4661 106.2451 44.7021 0.0000 174.3934 44 K 4.2789 8.4142 122.0677 55.4934 33.0824 175.4346 45 E 4.9454 8.3321 125.2063 55.6502 31.6931 175.0257 46 G 3.9800 8.2248 106.7439 45.9894 0.0000 172.1823 47 L 4.8262 7.3693 119.8419 53.4819 43.9548 176.3584 48 I 4.8233 7.6015 114.5709 59.6200 41.8935 171.0010 49 P 5.1310 0.0000 0.0000 61.4928 32.2371 176.8439 50 S 3.9498 8.8278 120.7857 60.5051 62.4200 175.1587 51 N 4.4766 8.2460 116.8492 55.5694 39.0984 174.4671 52 Y 4.3698 8.3599 115.2536 58.1101 38.2547 174.4950 53 I 5.6029 7.2744 112.2642 58.5470 41.1493 174.3932 54 E 4.8089 8.2710 120.5178 54.6883 34.2266 174.4750 55 M 4.1523 8.5339 120.9956 54.6778 32.0168 176.1850 56 K 4.4258 8.4336 126.5876 57.0236 33.2552 176.5935 57 N 5.0513 7.6324 110.8948 51.9982 38.7898 174.1549 58 H 4.1154 7.9834 118.4115 57.3871 30.0010 175.9296 59 D 4.7531 8.0261 122.9364 54.9736 40.8111 173.8013 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 M 8.30 4.52 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 E 8.55 4.74 0.00 1.86 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 2.19 2.38 0.00 3 A 8.79 4.70 1.14 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 0.00 0.00 4 I 8.15 4.72 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 1.14 1.87 0.92 0.00 0.00 5 A 8.81 5.29 0.89 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 0.00 0.00 6 K 8.47 4.45 0.00 1.82 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.48 7.81 7 H 8.56 4.50 0.00 3.69 3.90 0.00 5.69 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 8 D 8.81 5.08 0.00 2.81 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 9 F 8.83 4.85 0.00 2.70 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 10 S 8.07 4.79 0.00 3.74 3.66 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 0.00 0.00 0.00 0.00 11 A 7.21 3.96 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 12 T 8.62 4.19 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 1.29 0.00 0.00 13 A 7.44 4.49 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 14 D 8.61 4.28 0.00 2.63 2.72 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 15 D 8.12 4.61 0.00 2.91 2.86 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 16 E 7.95 4.64 0.00 2.13 1.86 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 2.29 2.47 0.00 17 L 8.54 4.19 0.00 1.92 1.65 0.86 1.19 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 18 S 8.53 4.23 0.00 3.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.33 5.14 0.00 3.14 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 20 R 8.64 5.87 0.00 1.95 1.91 0.00 3.44 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 21 K 8.31 4.17 0.00 1.91 1.97 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.47 7.81 22 T 8.41 3.43 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 1.22 0.00 0.00 23 Q 7.69 4.29 0.00 2.36 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 24 I 8.29 4.40 2.00 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 1.40 0.76 0.94 0.00 0.00 25 L 8.45 4.79 0.00 1.68 1.73 0.80 0.13 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 26 K 8.41 4.49 0.00 1.97 1.70 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 27 I 8.28 4.61 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.95 0.00 0.00 28 L 8.99 4.41 0.00 1.71 1.66 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.84 4.90 0.00 2.56 2.57 0.00 0.00 6.62 7.63 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 30 M 9.25 4.15 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 31 E 8.00 5.84 0.00 2.12 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 2.12 2.11 0.00 32 D 7.69 4.70 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.25 4.72 0.00 2.58 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.48 4.63 0.00 3.96 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 35 N 8.42 4.68 0.00 3.06 3.11 0.00 0.00 6.12 8.90 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 36 W 7.88 5.46 0.00 3.08 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 4.71 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.47 4.74 0.00 1.69 1.78 0.00 3.03 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 39 A 8.40 5.18 1.22 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 0.00 0.00 0.00 40 E 9.67 5.07 0.00 1.82 1.72 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 2.36 2.35 0.00 41 L 9.02 4.45 0.00 1.69 1.46 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 D 10.28 4.41 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 43 G 8.47 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 44 K 8.41 4.28 0.00 1.74 1.67 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 45 E 8.33 4.95 0.00 1.86 1.81 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 2.23 2.29 0.00 46 G 8.22 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 0.00 0.00 0.00 47 L 7.37 4.83 0.00 1.35 0.42 0.49 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.60 4.82 1.88 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 1.23 0.28 1.06 0.00 0.00 49 P 0.00 5.13 0.00 2.45 2.34 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.54 0.00 50 S 8.83 3.95 0.00 3.64 3.79 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 0.00 0.00 0.00 0.00 51 N 8.25 4.48 0.00 2.68 2.90 0.00 0.00 7.15 7.29 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 52 Y 8.36 4.37 0.00 2.93 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 53 I 7.27 5.60 1.83 0.00 0.00 0.61 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 0.92 0.75 0.00 0.00 54 E 8.27 4.81 0.00 1.89 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 2.26 2.31 0.00 55 M 8.53 4.15 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 56 K 8.43 4.43 0.00 1.72 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 57 N 7.63 5.05 0.00 2.67 2.69 0.00 0.00 7.20 8.15 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 58 H 7.98 4.12 0.00 3.15 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.03 4.75 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00