NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3914 8.4449 120.3656 55.8101 31.0352 172.7749 3 Y 4.4686 8.0419 121.7075 56.8107 38.6416 172.6014 4 E 4.1073 9.6432 123.9781 56.7956 31.0610 176.1320 5 E 4.6356 8.6823 121.7333 55.0270 32.9259 175.3740 6 G 3.8792 8.8230 106.2194 43.6914 0.0000 171.2838 7 P 4.2338 0.0000 0.0000 64.3334 31.4084 177.4083 8 G 3.9173 8.9285 110.1914 45.6562 0.0000 173.7006 9 K 4.3667 7.9770 117.8223 56.3870 34.0729 176.5953 10 N 4.6744 8.0691 114.7990 52.3289 37.5112 174.4564 11 I 4.3051 6.9405 111.5361 58.3974 40.0159 173.8718 12 P 4.2458 0.0000 0.0000 64.0757 31.7875 176.1474 13 F 4.8471 6.6099 113.3456 54.8222 40.0779 174.8881 14 S 4.5187 8.4515 116.4990 57.8271 63.1626 174.1774 15 V 4.4865 8.0147 118.7760 61.1687 32.2366 176.9106 16 E 3.9162 8.2097 121.8153 58.7666 29.6849 176.8345 17 N 4.8513 7.8598 118.4194 51.5020 40.6576 175.2490 18 K 3.6821 8.4288 128.4052 59.4938 32.4144 179.0214 19 W 4.2686 7.7674 119.8307 59.4788 29.2708 178.2473 20 R 3.9612 9.2869 119.3359 59.2411 29.4230 178.3524 21 L 3.8994 8.2007 120.3369 58.0750 42.0977 178.3828 22 L 3.8681 8.0037 120.3110 58.2791 41.8226 178.8509 23 A 4.0240 8.2691 120.3487 55.5409 18.4079 179.0631 24 M 3.9732 8.2850 117.5119 59.3322 32.1030 179.0193 25 M 4.3266 8.7347 118.5583 58.7122 32.1085 179.0764 26 T 3.9528 8.2810 116.2387 66.7824 68.7044 176.6935 27 L 4.0766 8.3192 121.1466 58.4405 41.5228 178.3993 28 F 4.3927 8.7095 120.8851 60.9903 39.0611 176.7208 29 F 3.9439 9.1106 118.0721 60.3610 39.1813 178.2749 30 G 3.6534 8.4750 105.7827 47.8793 0.0000 175.7883 31 S 4.3122 8.2720 117.5575 61.1444 62.4270 177.0930 32 G 3.4219 7.5354 108.2801 47.5708 0.0000 175.1855 33 F 4.4324 7.9277 121.7768 60.9021 39.6686 176.7088 34 A 4.3754 8.9909 120.5756 55.0600 18.2007 179.1526 35 A 3.9003 7.8460 119.1242 55.1776 18.4007 177.8488 36 P 4.0379 0.0000 0.0000 65.7766 31.3388 178.6037 37 F 4.0558 7.6929 115.7194 60.9032 38.8788 177.7071 38 F 4.0853 8.6565 116.2804 59.8322 38.6156 178.0219 39 I 3.8256 7.7041 120.0394 64.1208 37.0743 178.0747 40 V 3.5110 8.2431 119.4128 66.1212 31.3522 177.6343 41 R 3.8001 8.2431 118.5309 59.9911 29.6313 177.5214 42 H 4.0772 8.2157 116.7133 59.7986 29.7175 176.8233 43 Q 4.0505 8.4952 119.9074 58.7747 28.1566 178.5830 44 L 4.1290 8.0951 120.0733 57.1250 41.4341 178.3994 45 L 4.3066 7.5475 116.3304 55.2669 41.8529 177.9695 46 K 4.2601 7.5691 117.5893 55.9444 32.7392 176.3474 47 K 3.9370 7.1114 123.9874 57.2124 34.0514 173.7247 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 2 H 8.44 4.39 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.04 4.47 0.00 3.15 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 4 E 9.64 4.11 0.00 1.97 1.90 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 2.35 2.29 0.00 5 E 8.68 4.64 0.00 1.91 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 2.25 2.49 0.00 6 G 8.82 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.03 2.03 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 8 G 8.93 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.98 4.37 0.00 1.87 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.45 7.81 10 N 8.07 4.67 0.00 2.76 2.86 0.00 0.00 5.85 7.81 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 11 I 6.94 4.31 0.56 0.00 0.00 0.55 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 -0.01 0.72 0.00 0.00 12 P 0.00 4.25 0.00 2.16 2.13 0.00 3.38 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 13 F 6.61 4.85 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.52 0.00 3.84 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 15 V 8.01 4.49 2.11 0.00 0.00 0.00 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 0.92 0.00 0.00 16 E 8.21 3.92 0.00 1.93 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 2.33 2.31 0.00 17 N 7.86 4.85 0.00 2.82 2.71 0.00 0.00 6.79 7.26 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 18 K 8.43 3.68 0.00 1.52 1.73 0.00 0.82 0.00 0.00 1.09 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.71 0.21 7.81 19 W 7.77 4.27 0.00 3.64 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 20 R 9.29 3.96 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 L 8.20 3.90 0.00 1.84 1.66 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.00 3.87 0.00 1.84 1.98 0.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.27 4.02 1.47 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 0.00 0.00 24 M 8.29 3.97 0.00 1.95 2.22 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 2.66 2.93 0.00 25 M 8.73 4.33 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 26 T 8.28 3.95 4.50 0.00 0.00 0.00 0.00 0.00 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 27 L 8.32 4.08 0.00 1.89 1.77 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.71 4.39 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.11 3.94 0.00 3.28 3.07 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 30 G 8.48 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 0.00 0.00 0.00 31 S 8.27 4.31 0.00 4.02 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 0.00 32 G 7.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.43 0.00 3.14 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 1.42 1.79 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 37 F 7.69 4.06 0.00 3.63 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 38 F 8.66 4.09 0.00 3.28 3.21 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 0.00 39 I 7.70 3.83 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.91 0.00 0.00 40 V 8.24 3.51 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 0.97 0.00 0.00 0.83 0.00 0.00 41 R 8.24 3.80 0.00 1.76 1.91 0.00 2.81 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 42 H 8.22 4.08 0.00 3.22 3.53 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.50 4.05 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 44 L 8.10 4.13 0.00 1.81 1.69 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.55 4.31 0.00 1.74 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.57 4.26 0.00 1.70 1.81 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.47 7.81 47 K 7.11 3.94 0.00 1.61 1.68 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.20 1.11 7.81