NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3927 8.3044 120.3221 55.1874 33.5730 177.7570 2 V 4.1165 7.6188 129.0018 61.7730 33.1906 171.3801 3 K 4.9785 9.3607 127.7919 54.8278 34.7978 175.4234 4 V 4.3215 8.9555 118.2974 59.6545 33.6444 174.9758 5 K 4.9255 8.7212 125.9414 55.4106 33.0976 176.2671 6 F 5.1565 8.6309 119.5698 55.2879 41.8415 173.1379 7 K 4.9383 8.7794 120.1113 55.9669 34.0378 175.2939 8 Y 4.5083 8.9525 125.9416 56.4572 41.1995 175.0266 9 K 3.5837 9.1995 128.4288 57.6068 29.3498 175.5895 10 G 4.2874 8.3542 110.9075 45.7024 0.0000 173.9274 11 E 3.8193 7.9607 120.0948 56.8624 30.0128 177.1458 12 E 4.5182 8.4083 128.8970 54.7305 28.5040 175.1439 13 K 4.3867 7.5784 121.7971 56.7972 36.2137 176.8196 14 E 5.6693 8.3666 116.0772 57.3438 32.4371 174.5669 15 V 4.4093 7.9211 117.7198 60.5252 34.7000 172.7974 16 D 4.8184 8.5708 122.5233 53.8179 41.9224 177.3914 17 T 3.7240 8.9353 116.7009 64.3087 68.7196 175.8916 18 S 4.3199 8.3532 115.4882 59.4755 63.5195 174.8113 19 K 4.3327 8.1363 120.7423 56.7903 32.6574 176.1984 20 I 4.3695 7.2156 121.2219 61.1664 37.3576 175.7817 21 K 4.3570 9.1756 126.2073 58.3000 33.0248 177.5246 22 K 4.8407 8.1113 118.5807 54.7058 35.9471 175.2842 23 V 5.2115 8.4782 125.1710 61.2183 34.8254 174.2396 24 W 5.0933 8.5979 121.6548 55.7081 31.5829 173.0741 25 R 4.8896 8.7801 121.7381 55.0119 31.6323 176.5149 26 V 4.5213 8.4584 123.5020 60.5733 32.9242 176.2511 27 G 4.0650 8.2868 117.7021 45.5101 0.0000 172.0986 28 K 4.3914 8.9418 124.6350 55.8882 32.7205 174.2128 29 M 4.7853 7.7550 121.2417 54.2345 33.9146 174.7915 30 V 4.5292 8.9236 126.9802 61.5145 33.4016 174.3882 31 S 4.6954 8.0112 123.2128 56.5928 65.1729 172.4624 32 F 4.9141 7.0988 118.1882 56.3879 41.5512 172.5644 33 T 5.2697 8.9049 109.7170 60.1816 71.8339 172.5722 34 Y 5.2729 8.2610 120.5000 55.2733 42.1672 173.9084 35 D 4.8836 9.5261 121.9697 54.5229 41.4487 175.3676 36 D 4.6317 9.3882 128.6244 54.2128 41.6782 177.5542 37 N 3.8743 9.2736 128.2942 54.1809 36.5904 174.3415 38 G 3.5594 8.2520 106.8217 45.0425 0.0000 171.7646 39 K 4.1223 7.4560 119.2440 56.4138 36.4147 172.9601 40 T 4.7365 8.5771 119.0324 61.8083 70.4035 174.2665 41 G 3.7007 8.0440 113.5236 44.3378 0.0000 171.7047 42 R 4.8853 7.4456 117.4508 54.4405 34.1771 174.9954 43 G 3.1204 7.5675 105.3799 45.6323 0.0000 172.1711 44 A 4.8660 7.8023 120.0887 50.7852 22.1620 176.0802 45 V 4.6363 8.8292 113.6774 59.4189 36.7509 175.2208 46 S 4.4909 8.5712 116.5296 57.8110 62.9842 174.8011 47 E 3.9657 9.0121 127.9266 58.9711 29.7684 178.6527 48 K 4.1198 8.1420 117.9753 60.0176 32.9073 177.9727 49 D 4.6786 7.7672 116.7116 53.8697 40.5454 175.6195 50 A 4.4938 7.4229 123.7264 50.0292 19.9686 176.5235 51 P 4.4543 0.0000 0.0000 61.9967 32.4627 177.2957 52 K 3.8063 8.6844 120.5175 59.8619 31.7311 178.6373 53 E 3.9222 8.1059 119.1543 59.0382 29.5622 178.3694 54 L 3.9211 7.9993 120.6028 57.8321 42.1724 178.7072 55 L 4.1421 7.8071 118.0847 57.1067 41.6704 178.8177 56 D 4.3910 7.9670 119.5220 57.2355 40.9086 178.4494 57 M 4.0346 7.7810 119.1821 58.3400 31.9652 178.5562 58 L 3.9645 7.9153 120.1295 58.1296 42.1449 178.7510 59 A 4.0584 8.0577 120.7040 55.3851 18.0499 179.8884 60 R 3.8974 7.9301 115.4450 59.1427 30.3453 178.8833 61 A 4.1714 7.9191 120.5255 55.3031 18.2294 179.6037 62 E 4.0394 8.5307 116.6287 58.8898 29.5877 178.7583 63 R 4.3366 7.4511 113.5417 55.3661 30.3730 176.1319 64 E 4.1631 7.3114 120.6083 55.8251 30.3660 175.8674 65 K 4.5268 8.3847 124.0919 54.7142 33.9190 176.1984 66 K 4.0885 8.4095 124.2155 56.7971 32.0451 175.2444 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 4.39 0.00 1.99 1.35 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 V 7.62 4.12 2.03 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 0.69 0.00 0.00 0.90 0.00 0.00 3 K 9.36 4.98 0.00 1.63 1.92 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.36 7.81 4 V 8.96 4.32 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 0.54 0.00 0.00 0.82 0.00 0.00 5 K 8.72 4.93 0.00 1.66 1.73 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 6 F 8.63 5.16 0.00 3.30 3.26 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 0.00 7 K 8.78 4.94 0.00 1.80 1.88 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 Y 8.95 4.51 0.00 3.07 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 9 K 9.20 3.58 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.40 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 1.38 7.81 10 G 8.35 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 0.00 0.00 0.00 0.00 11 E 7.96 3.82 0.00 2.20 1.92 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 2.42 2.51 0.00 12 E 8.41 4.52 0.00 1.88 1.82 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 2.22 2.21 0.00 13 K 7.58 4.39 0.00 1.60 1.80 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.14 7.81 14 E 8.37 5.67 0.00 1.98 1.82 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 2.13 2.12 0.00 15 V 7.92 4.41 1.53 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 0.35 0.00 0.00 0.63 0.00 0.00 16 D 8.57 4.82 0.00 2.66 2.53 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 17 T 8.94 3.72 4.15 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 1.12 0.00 0.00 18 S 8.35 4.32 0.00 3.99 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 19 K 8.14 4.33 0.00 1.95 1.99 0.00 1.72 0.00 0.00 2.02 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.57 7.81 20 I 7.22 4.37 1.90 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.19 0.88 0.00 0.00 21 K 9.18 4.36 0.00 1.76 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.44 7.81 22 K 8.11 4.84 0.00 1.96 1.86 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.41 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.83 1.56 7.81 23 V 8.48 5.21 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 0.88 0.00 0.00 0.94 0.00 0.00 24 W 8.60 5.09 0.00 3.41 3.24 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 0.00 25 R 8.78 4.89 0.00 1.88 1.91 0.00 3.17 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 26 V 8.46 4.52 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 1.01 0.00 0.00 1.20 0.00 0.00 27 G 8.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.94 4.39 0.00 1.79 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.35 7.81 29 M 7.76 4.79 0.00 2.22 1.92 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 2.47 2.38 0.00 30 V 8.92 4.53 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 0.93 0.00 0.00 0.92 0.00 0.00 31 S 8.01 4.70 0.00 3.19 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 32 F 7.10 4.91 0.00 3.11 2.87 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 0.00 0.00 0.00 33 T 8.90 5.27 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 1.38 0.00 0.00 34 Y 8.26 5.27 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 35 D 9.53 4.88 0.00 2.70 2.74 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 36 D 9.39 4.63 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.27 3.87 0.00 2.96 3.31 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.25 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.46 4.12 0.00 1.69 1.94 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.24 7.81 40 T 8.58 4.74 4.18 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 0.00 0.00 0.00 1.13 0.00 0.00 41 G 8.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.45 4.89 0.00 1.03 1.42 0.00 3.27 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 43 G 7.57 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 0.00 0.00 0.00 44 A 7.80 4.87 1.03 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 0.00 0.00 45 V 8.83 4.64 2.16 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 0.90 0.00 0.00 0.99 0.00 0.00 46 S 8.57 4.49 0.00 3.87 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 47 E 9.01 3.97 0.00 2.10 1.98 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 2.33 2.26 0.00 48 K 8.14 4.12 0.00 1.98 2.05 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.47 7.81 49 D 7.77 4.68 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 50 A 7.42 4.49 1.25 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 0.00 0.00 0.00 51 P 0.00 4.45 0.00 2.19 2.16 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 52 K 8.68 3.81 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.50 7.81 53 E 8.11 3.92 0.00 2.08 1.88 0.00 0.00 0.00 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 2.37 0.00 54 L 8.00 3.92 0.00 1.67 1.70 0.62 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.81 4.14 0.00 1.72 1.69 0.92 1.12 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 56 D 7.97 4.39 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.78 4.03 0.00 1.99 2.24 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 2.84 2.52 0.00 58 L 7.92 3.96 0.00 1.87 1.85 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.06 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.93 3.90 0.00 1.99 2.01 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 61 A 7.92 4.17 1.44 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 62 E 8.53 4.04 0.00 1.93 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 2.67 2.49 0.00 63 R 7.45 4.34 0.00 1.91 2.04 0.00 3.06 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 64 E 7.31 4.16 0.00 2.22 1.93 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 2.32 2.29 0.00 65 K 8.38 4.53 0.00 1.75 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 66 K 8.41 4.09 0.00 1.75 1.60 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.49 7.81