NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5280 8.1627 120.2773 55.0937 34.4798 173.5351 2 K 4.6068 8.4215 122.2794 54.3411 35.2574 173.1770 3 I 4.9238 8.2780 128.5784 59.6933 40.7800 174.4617 4 K 4.9811 8.0028 120.4941 55.6081 36.2238 174.5458 5 L 4.5574 9.0382 127.3917 54.2158 43.1875 176.9212 6 V 4.7452 8.3421 119.7005 60.6192 33.4021 175.7829 7 R 4.5682 7.9289 117.4574 54.7487 33.9907 175.1501 8 S 4.2450 8.5692 116.7647 58.6516 63.1553 174.1389 9 V 3.9287 8.1842 123.3864 64.4231 31.9373 176.4076 10 I 3.7708 7.6440 120.3864 62.5261 37.2946 175.6108 11 G 3.9440 8.8089 111.8972 46.7516 0.0000 173.4466 12 R 4.6565 7.4377 115.7265 52.4291 33.7973 174.6145 13 P 4.4609 0.0000 0.0000 62.5772 33.3397 177.5101 14 G 3.8214 8.7307 107.2567 48.4044 0.0000 175.3242 15 N 4.2758 8.2587 118.8325 56.3072 38.5725 177.2686 16 Q 3.9674 8.0669 118.4518 58.8452 28.8440 178.6935 17 V 3.5841 7.6395 119.1823 66.1200 31.4600 178.1201 18 K 3.9205 8.3800 118.1862 60.0242 31.9065 179.3312 19 T 3.9448 8.2097 116.0999 66.8162 68.3187 176.8372 20 V 3.5637 7.9948 120.1979 66.0254 31.5190 177.5874 21 Q 3.9084 8.1240 119.1836 58.9520 28.6984 177.6060 22 A 3.9992 8.4565 121.7249 55.5394 18.6644 179.4417 23 L 4.0065 7.8789 115.2327 55.5378 42.1592 177.4928 24 G 3.7801 8.5634 106.8853 46.6923 0.0000 173.5948 25 L 4.7858 7.8174 118.0930 52.8108 44.1151 176.4936 26 R 4.4867 8.7934 118.8807 57.1183 32.6627 176.4723 27 K 4.6787 7.9265 115.9370 53.7526 35.5645 176.0886 28 I 3.9802 8.1874 115.7224 62.3286 37.7783 176.2096 29 G 3.9624 9.6559 111.7952 45.3482 0.0000 173.6894 30 D 4.8684 7.9117 119.7574 54.3791 42.5857 175.1826 31 S 5.0002 7.8345 113.7894 57.9432 66.2690 173.6938 32 R 4.3977 8.4437 112.1422 55.1087 32.5642 173.8946 33 E 4.4520 9.1534 124.7052 56.3870 30.3414 176.0438 34 V 4.5995 8.4832 125.4412 59.4537 34.4955 175.5399 35 S 4.1503 8.7385 116.9037 58.7143 62.8339 174.0605 36 D 4.7542 8.2941 127.1748 52.6906 40.0366 174.9855 37 T 4.6537 8.0360 113.3039 59.1747 72.7530 172.7141 38 P 3.8369 0.0000 0.0000 65.0992 32.2236 177.6022 39 A 4.1231 8.0647 120.7913 54.7322 18.4070 179.7647 40 V 3.6489 7.7444 115.5429 65.6935 31.6280 178.2982 41 R 4.0103 8.4261 118.7772 59.1179 29.8370 179.1256 42 G 3.6015 8.9909 106.6982 48.0750 0.0000 175.1497 43 M 3.9890 7.7673 120.0317 58.4179 31.8000 178.6069 44 V 3.7113 7.8023 117.6003 66.1051 31.6986 178.0120 45 K 3.8742 8.1227 117.9995 60.0095 31.7516 178.9607 46 T 3.9478 7.5770 114.3817 66.1835 68.9449 176.7054 47 V 4.2555 7.3139 112.4985 60.1152 32.1149 177.9702 48 K 3.6939 7.7727 121.5314 60.0657 32.3571 177.5798 49 H 4.0830 7.9977 115.2070 57.3320 29.0745 175.2856 50 L 4.5345 7.8686 119.8775 55.1183 43.5218 176.0973 51 L 5.0007 7.9991 117.5848 53.3763 43.5257 177.0994 52 E 4.2753 9.0337 124.3167 54.6021 29.1493 173.9762 53 V 3.7275 8.2267 123.6074 62.8940 29.4322 174.9558 54 Q 3.3677 9.1565 121.9336 58.8250 28.9743 176.8231 55 E 4.2648 7.9410 123.5683 56.9377 30.5607 175.2071 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 8.16 4.53 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 K 8.42 4.61 0.00 2.10 1.69 0.00 1.72 0.00 0.00 2.03 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.59 7.81 3 I 8.28 4.92 2.02 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 1.28 0.98 0.90 0.00 0.00 4 K 8.00 4.98 0.00 1.84 1.85 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.38 7.81 5 L 9.04 4.56 0.00 1.77 1.58 0.96 0.78 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 6 V 8.34 4.75 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 0.74 0.00 0.00 1.00 0.00 0.00 7 R 7.93 4.57 0.00 1.90 1.80 0.00 3.40 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 8 S 8.57 4.24 0.00 3.83 3.78 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 0.00 0.00 0.00 9 V 8.18 3.93 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 0.95 0.00 0.00 0.93 0.00 0.00 10 I 7.64 3.77 1.87 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 1.35 0.65 0.91 0.00 0.00 11 G 8.81 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 12 R 7.44 4.66 0.00 2.10 1.81 0.00 3.39 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 13 P 0.00 4.46 0.00 2.16 2.00 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 14 G 8.73 3.82 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 0.00 0.00 0.00 15 N 8.26 4.28 0.00 2.75 2.91 0.00 0.00 7.04 8.25 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 16 Q 8.07 3.97 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 17 V 7.64 3.58 2.28 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 1.03 0.00 0.00 0.96 0.00 0.00 18 K 8.38 3.92 0.00 1.92 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.63 7.81 19 T 8.21 3.94 4.35 0.00 0.00 0.00 0.00 0.00 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 20 V 7.99 3.56 2.29 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 0.99 0.00 0.00 0.94 0.00 0.00 21 Q 8.12 3.91 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 22 A 8.46 4.00 1.29 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 23 L 7.88 4.01 0.00 1.73 1.75 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.56 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.82 4.79 0.00 1.76 1.57 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.79 4.49 0.00 1.90 1.92 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 27 K 7.93 4.68 0.00 1.74 1.64 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.33 7.81 28 I 8.19 3.98 1.96 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 1.35 0.52 0.91 0.00 0.00 29 G 9.66 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 0.00 0.00 0.00 30 D 7.91 4.87 0.00 2.82 2.60 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 31 S 7.83 5.00 0.00 4.12 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 32 R 8.44 4.40 0.00 1.85 2.01 0.00 2.89 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 33 E 9.15 4.45 0.00 1.98 1.89 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 2.29 2.37 0.00 34 V 8.48 4.60 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 0.74 0.00 0.00 0.93 0.00 0.00 35 S 8.74 4.15 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.29 4.75 0.00 2.66 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 37 T 8.04 4.65 4.24 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 1.21 0.00 0.00 38 P 0.00 3.84 0.00 2.30 2.24 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 39 A 8.06 4.12 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 40 V 7.74 3.65 2.19 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 1.12 0.00 0.00 0.93 0.00 0.00 41 R 8.43 4.01 0.00 1.96 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 42 G 8.99 3.60 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 0.00 0.00 0.00 43 M 7.77 3.99 0.00 2.00 2.24 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 2.64 2.99 0.00 44 V 7.80 3.71 2.20 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 1.02 0.00 0.00 0.92 0.00 0.00 45 K 8.12 3.87 0.00 1.98 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.55 7.81 46 T 7.58 3.95 4.57 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 1.20 0.00 0.00 47 V 7.31 4.26 1.99 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 0.79 0.00 0.00 0.96 0.00 0.00 48 K 7.77 3.69 0.00 1.90 1.79 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 49 H 8.00 4.08 0.00 3.26 3.47 0.00 5.73 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.87 4.53 0.00 1.75 1.68 0.94 0.63 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 51 L 8.00 5.00 0.00 1.45 1.56 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.03 4.28 0.00 1.99 1.84 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 2.23 2.23 0.00 53 V 8.23 3.73 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 0.79 0.00 0.00 0.92 0.00 0.00 54 Q 9.16 3.37 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.45 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 55 E 7.94 4.26 0.00 1.95 1.76 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 2.22 2.30 0.00