NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4964 8.2893 118.1954 55.0275 33.4469 176.5012 2 K 3.8841 8.2447 118.4547 58.7526 33.0949 175.7736 3 G 3.9888 8.4293 107.1804 48.1093 0.0000 174.6716 4 M 3.1713 7.4346 116.1225 56.5983 29.9908 179.6108 5 S 4.6411 7.5133 118.5341 56.8955 62.6536 176.8074 6 K 4.3477 7.4343 121.6124 55.7931 31.0606 176.0128 7 M 4.7273 7.6706 120.4882 53.8007 33.1799 171.7429 8 P 4.6980 0.0000 0.0000 60.9809 33.0105 175.4506 9 Q 4.7391 8.5174 119.7987 54.4253 30.3104 174.9510 10 F 4.9519 8.1222 115.5074 55.1446 41.0629 172.9166 11 N 4.6779 8.6496 120.4381 51.8728 40.3490 174.0876 12 L 4.6712 7.9484 124.2673 52.6229 44.5688 176.2615 13 R 4.4720 8.3362 117.4384 54.2511 31.0862 174.6054 14 W 5.3781 8.3879 121.5319 53.6638 33.2942 173.6648 15 P 4.4139 0.0000 0.0000 62.7825 31.7800 177.6478 16 R 3.8891 8.8444 122.3680 60.0246 30.1119 178.5891 17 E 4.1713 8.2005 117.5438 59.0879 29.4186 179.3887 18 V 3.6558 8.0068 118.6720 65.7395 31.5472 177.9028 19 L 4.1201 8.0861 118.3124 58.1562 41.4750 179.1678 20 D 4.3538 8.1884 118.6227 57.1669 40.6602 178.6989 21 L 3.9500 7.9446 120.7849 58.0862 42.1616 178.9725 22 V 3.6200 8.1830 118.6125 66.0689 31.3934 178.0201 23 R 3.9246 8.3034 117.9894 59.3309 29.9226 178.8825 24 K 3.8979 8.1681 118.0588 59.7240 32.1437 179.5401 25 V 3.5852 8.1577 118.1141 65.9218 31.4223 177.8737 26 A 4.0215 8.7195 120.9355 55.1847 18.2444 179.3279 27 E 3.8655 8.3596 117.0756 59.5676 29.3840 178.8170 28 E 3.8895 8.2492 118.1903 59.9278 29.7281 178.7437 29 N 4.5516 8.4916 114.8957 54.3197 38.6492 175.8804 30 G 4.0342 9.0179 108.2046 45.2388 0.0000 173.2235 31 R 4.6979 7.9043 114.1415 53.8005 32.9115 174.8050 32 S 4.3740 8.3821 113.9264 57.6793 64.4112 175.0721 33 V 3.5648 8.5793 121.9474 66.5768 30.9745 177.8766 34 N 4.2206 8.0562 115.9033 56.8937 38.7747 176.6813 35 S 4.0724 8.1111 114.4467 61.0387 62.4944 175.7593 36 E 3.9429 8.1035 121.6778 59.3195 29.5511 178.4423 37 I 3.7721 7.9370 119.7721 64.9500 37.2747 177.3600 38 Y 4.3172 8.1908 119.9797 61.3816 38.6123 178.4392 39 Q 4.0068 8.8247 118.3016 59.5809 28.4422 178.9273 40 R 3.9680 7.7392 118.5603 58.8359 29.8262 178.9203 41 V 3.7392 7.9145 118.2595 66.0720 31.6001 177.6391 42 M 3.9353 7.5893 116.9808 56.4952 31.8282 178.1591 43 E 3.9110 8.1301 120.5762 59.5994 29.8426 178.9386 44 S 4.2728 7.8763 114.0846 61.5098 62.6089 176.6854 45 F 3.8934 8.1081 119.2930 59.6173 38.5306 177.2768 46 K 4.0809 7.8595 118.1479 58.8143 33.4787 178.1677 47 K 4.3143 7.5907 119.9792 54.2838 30.8716 176.9598 48 E 3.5614 8.1020 122.8280 59.0288 30.0570 176.2517 49 G 3.8969 7.7765 106.7323 46.0019 0.0000 172.5304 50 R 3.5970 7.8864 126.1994 59.0382 27.6779 177.7739 51 I 3.7897 8.0686 106.3621 61.2742 35.7775 172.3077 52 G 4.0559 9.2268 119.2995 45.6504 0.0000 171.1772 53 A 4.2947 7.6288 125.9455 52.0747 19.1571 176.2527 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 8.29 4.50 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 K 8.24 3.88 0.00 1.95 1.99 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.56 7.81 3 G 8.43 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 0.00 0.00 0.00 4 M 7.43 3.17 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 5 S 7.51 4.64 0.00 3.96 3.88 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 0.00 0.00 0.00 6 K 7.43 4.35 0.00 1.78 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.42 7.81 7 M 7.67 4.73 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 8 P 0.00 4.70 0.00 2.13 1.99 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 9 Q 8.52 4.74 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 10 F 8.12 4.95 0.00 3.12 2.96 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 11 N 8.65 4.68 0.00 2.65 2.72 0.00 0.00 6.83 7.78 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 12 L 7.95 4.67 0.00 0.89 0.80 0.47 1.06 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 13 R 8.34 4.47 0.00 1.89 1.88 0.00 3.19 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 14 W 8.39 5.38 0.00 3.30 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 15 P 0.00 4.41 0.00 2.20 2.00 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 16 R 8.84 3.89 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 17 E 8.20 4.17 0.00 2.11 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 0.00 2.41 2.44 0.00 18 V 8.01 3.66 2.32 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 1.01 0.00 0.00 0.87 0.00 0.00 19 L 8.09 4.12 0.00 2.01 1.76 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.19 4.35 0.00 2.97 2.73 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 21 L 7.94 3.95 0.00 1.79 1.86 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.18 3.62 2.23 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 1.08 0.00 0.00 1.16 0.00 0.00 23 R 8.30 3.92 0.00 2.12 2.14 0.00 3.21 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 1.66 1.87 0.00 24 K 8.17 3.90 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 25 V 8.16 3.59 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 0.95 0.00 0.00 0.97 0.00 0.00 26 A 8.72 4.02 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 27 E 8.36 3.87 0.00 2.29 2.02 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 2.33 2.42 0.00 28 E 8.25 3.89 0.00 2.01 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 0.00 2.34 2.39 0.00 29 N 8.49 4.55 0.00 2.79 2.88 0.00 0.00 7.41 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 G 9.02 4.03 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 0.00 31 R 7.90 4.70 0.00 1.86 1.85 0.00 3.16 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 32 S 8.38 4.37 0.00 4.00 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 33 V 8.58 3.56 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 1.00 0.00 0.00 0.93 0.00 0.00 34 N 8.06 4.22 0.00 2.78 2.73 0.00 0.00 6.85 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 35 S 8.11 4.07 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.94 0.00 2.07 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 0.00 2.41 2.47 0.00 37 I 7.94 3.77 1.96 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 1.72 0.60 1.13 0.00 0.00 38 Y 8.19 4.32 0.00 2.96 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 39 Q 8.82 4.01 0.00 2.36 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 40 R 7.74 3.97 0.00 1.87 2.06 0.00 3.35 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 41 V 7.91 3.74 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 0.83 0.00 0.00 1.00 0.00 0.00 42 M 7.59 3.94 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 43 E 8.13 3.91 0.00 2.13 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 0.00 2.33 2.37 0.00 44 S 7.88 4.27 0.00 4.26 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 0.00 45 F 8.11 3.89 0.00 3.16 2.73 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 46 K 7.86 4.08 0.00 1.88 1.91 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.60 7.81 47 K 7.59 4.31 0.00 1.90 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.36 7.81 48 E 8.10 3.56 0.00 2.03 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 2.20 2.09 0.00 49 G 7.78 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.89 3.60 0.00 1.93 2.00 0.00 3.26 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 51 I 8.07 3.79 1.79 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.24 -0.03 0.00 0.00 52 G 9.23 4.06 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 0.00 0.00 0.00 53 A 7.63 4.29 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