NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1000 8.0544 120.3346 61.5813 32.3409 174.1534 7 D 4.7168 8.7693 124.9008 52.3061 42.6972 174.6676 8 C 4.8597 8.5120 124.0804 56.9251 41.4995 175.5235 9 S 4.0461 9.0629 118.0414 60.9923 62.6652 174.4378 10 E 4.4888 8.3088 119.2255 56.5087 29.6571 175.1847 11 Y 4.2210 7.7011 116.9621 55.3179 40.2004 173.6167 12 P 5.2701 0.0000 0.0000 62.3034 32.3210 175.4612 13 K 4.5219 8.9640 117.6639 53.7704 34.4136 176.0501 14 P 4.0848 0.0000 0.0000 64.6648 31.7188 175.9146 15 A 4.6688 7.2167 119.9658 51.3550 22.2529 174.7039 16 C 5.1443 8.4052 117.1064 54.8391 43.5964 174.6262 17 T 4.2719 8.4451 112.9406 62.0162 69.0085 173.6287 18 L 4.8537 8.1094 120.4247 54.2957 42.5783 177.0465 19 E 4.2631 8.2896 115.4443 56.0787 30.6868 175.0728 20 Y 4.8493 8.4613 121.1457 56.3116 39.8364 175.9926 21 R 4.5006 8.5522 127.4840 54.1817 32.8336 173.0355 22 P 4.7964 0.0000 0.0000 62.2119 33.5654 175.2190 23 L 5.1351 8.6593 119.3115 53.1463 46.4598 174.5810 24 C 5.0089 8.7514 122.3504 54.9014 46.2170 173.8323 25 G 4.6384 9.0628 114.2838 45.1075 0.0000 174.4914 26 S 4.4648 9.0792 114.6171 59.7908 63.0748 174.6183 27 D 4.7098 8.1121 119.9116 52.9716 39.3411 176.1778 28 N 4.2429 8.0802 114.3900 54.2630 36.7985 173.5651 29 K 4.3341 8.1745 119.9961 54.8704 33.4501 175.8158 30 T 4.3636 8.1965 122.9551 63.5034 69.1280 173.5442 31 Y 4.2959 9.0770 125.5854 56.6831 39.0602 177.0630 32 G 3.7441 8.8556 113.5402 47.5252 0.0000 172.2633 33 N 5.2731 7.5593 117.7421 51.7702 40.9197 175.0642 34 K 3.9797 8.4509 120.9340 59.6347 32.1849 179.0468 35 C 4.7554 8.2109 119.7146 59.4212 38.7400 175.2292 36 N 4.3620 9.0799 118.5493 56.2007 38.1485 177.2714 37 F 3.4358 8.5144 122.3025 61.3385 39.4962 176.6636 38 C 3.6867 8.4093 116.4945 59.6569 40.3280 175.8504 39 N 4.2344 7.9696 118.0640 56.1238 38.2033 177.2783 40 A 3.9407 7.6365 122.0486 54.5506 18.3654 179.8734 41 V 3.1369 6.9585 117.0293 66.0562 31.5719 178.4156 42 V 3.5179 7.5836 117.9332 65.9813 31.1591 177.5589 43 E 4.2936 8.0306 117.8883 58.2031 29.6720 177.7533 44 S 4.5059 7.6454 112.9891 57.0334 63.4472 173.4402 45 N 3.8203 9.3790 119.5312 55.1509 37.4421 174.9844 46 G 3.9054 8.2125 103.2068 45.6669 0.0000 174.9775 47 T 4.1540 7.4863 109.5013 62.3165 69.5565 175.0657 48 L 4.2002 7.5232 125.0373 54.7707 42.7762 175.2998 49 T 4.8585 8.6441 114.7692 59.6343 72.8932 171.9739 50 L 4.2166 8.4039 123.5560 54.6812 42.3971 175.8466 51 S 4.4389 8.9111 123.1024 60.1263 62.5292 173.3690 52 H 4.4954 7.0576 112.2607 54.5462 31.4905 172.3737 53 F 4.1978 8.4792 117.8526 58.0287 39.4408 176.0958 54 G 3.9978 8.4849 109.1207 44.6399 0.0000 173.4881 55 K 4.2066 8.0143 117.5569 56.0655 32.7217 178.3762 56 C 4.5157 8.7482 118.2247 57.4777 41.0431 173.8464 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 6 V 8.05 4.10 2.14 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 0.98 0.00 0.00 1.02 0.00 0.00 7 D 8.77 4.72 0.00 2.74 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 8 C 8.51 4.86 0.00 2.93 2.81 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 9 S 9.06 4.05 0.00 3.96 4.14 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 10 E 8.31 4.49 0.00 1.75 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 2.26 2.41 0.00 11 Y 7.70 4.22 0.00 3.28 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 12 P 0.00 5.27 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.69 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 13 K 8.96 4.52 0.00 1.70 1.77 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.06 0.76 7.81 14 P 0.00 4.08 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.22 4.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 5.14 0.00 2.99 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 17 T 8.45 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 L 8.11 4.85 0.00 1.65 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.29 4.26 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 20 Y 8.46 4.85 0.00 2.87 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 21 R 8.55 4.50 0.00 1.66 1.73 0.00 3.19 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 22 P 0.00 4.80 0.00 1.95 1.61 0.00 3.32 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 23 L 8.66 5.14 0.00 1.36 1.06 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.75 5.01 0.00 2.93 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.64 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 0.00 0.00 0.00 26 S 9.08 4.46 0.00 4.00 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 27 D 8.11 4.71 0.00 2.85 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 8.08 4.24 0.00 2.93 2.97 0.00 0.00 6.74 6.89 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 29 K 8.17 4.33 0.00 1.70 1.51 0.00 1.48 0.00 0.00 1.14 0.00 0.00 2.45 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.71 1.16 7.81 30 T 8.20 4.36 4.21 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 1.27 0.00 0.00 31 Y 9.08 4.30 0.00 3.25 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 32 G 8.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 5.27 0.00 2.99 3.08 0.00 0.00 6.37 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 34 K 8.45 3.98 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.53 7.81 35 C 8.21 4.76 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.36 0.00 3.07 3.09 0.00 0.00 6.71 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 37 F 8.51 3.44 0.00 3.04 3.13 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 0.00 0.00 0.00 0.00 38 C 8.41 3.69 0.00 1.53 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.23 0.00 2.77 2.88 0.00 0.00 6.84 7.37 0.00 0.00 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 7.64 3.94 1.01 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 0.00 0.00 41 V 6.96 3.14 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 0.83 0.00 0.00 0.06 0.00 0.00 42 V 7.58 3.52 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 0.80 0.00 0.00 0.98 0.00 0.00 43 E 8.03 4.29 0.00 1.99 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 0.00 2.30 2.30 0.00 44 S 7.65 4.51 0.00 4.07 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 45 N 9.38 3.82 0.00 2.76 2.87 0.00 0.00 7.17 7.96 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 46 G 8.21 3.91 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 0.00 0.00 0.00 47 T 7.49 4.15 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 1.22 0.00 0.00 48 L 7.52 4.20 0.00 1.52 1.37 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.64 4.86 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 1.21 0.00 0.00 50 L 8.40 4.22 0.00 1.34 1.38 0.03 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.91 4.44 0.00 3.86 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 52 H 7.06 4.50 0.00 3.23 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.48 4.20 0.00 3.14 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 54 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.21 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.53 7.81 56 C 8.75 4.52 0.00 2.94 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