NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6703 8.3249 119.4614 57.3786 40.3977 173.7848 2 E 4.5317 8.4528 121.0876 53.4185 32.4055 174.5449 3 N 4.5506 9.5363 121.8418 53.9868 39.3262 174.5393 4 R 4.6941 8.2951 126.4572 55.8411 31.4654 178.8842 5 V 3.6188 8.4305 119.8707 66.2098 31.4821 177.1359 6 A 4.4146 7.9875 121.2783 54.5880 18.1393 179.3865 7 E 3.8957 8.1054 116.5377 59.6391 29.6357 179.5258 8 K 4.1138 7.8427 118.2450 59.5777 31.6795 179.4922 9 Q 4.1041 8.7238 118.8897 58.7393 28.5899 178.7260 10 K 3.9556 8.1071 120.7559 59.3500 32.0569 178.6126 11 L 3.7773 7.6827 119.3891 58.1560 42.0917 178.5668 12 F 4.3691 8.1228 115.3855 59.0545 39.1568 176.7964 13 Q 4.5221 7.7641 115.9942 54.5815 29.3077 175.2890 14 E 3.8272 7.3352 121.0782 56.7596 29.9109 177.4840 15 D 4.6640 8.5424 127.0877 53.5941 39.1087 174.8059 16 N 4.7727 8.0830 115.4747 51.2791 38.3093 176.1960 17 G 3.9014 8.1216 105.4143 46.3037 0.0000 173.6515 18 L 4.3177 7.8920 119.8420 52.8092 42.6337 175.2272 19 P 4.4619 0.0000 0.0000 62.1065 32.3841 177.5617 20 V 3.6339 8.6377 120.7071 65.4020 31.0361 177.2577 21 H 4.5626 8.1538 112.6589 56.3292 29.0110 175.2516 22 L 4.6944 8.2302 118.9180 54.0902 43.5266 177.8381 23 K 4.1447 7.8244 118.9046 58.0345 32.1271 177.3512 24 G 3.7376 8.6195 106.5686 45.6471 0.0000 172.0762 25 G 3.6345 7.8130 104.7984 43.7571 0.0000 174.2955 26 A 4.0363 8.8426 119.6461 55.6438 17.8880 180.0625 27 T 3.8620 7.8843 113.8314 66.8070 68.5822 176.1518 28 D 4.4520 8.0412 120.5173 57.7037 40.9128 178.8202 29 N 4.4414 8.1531 116.1796 56.3621 38.5142 177.2533 30 I 3.7163 7.6838 120.9809 64.3684 37.2122 177.9071 31 L 3.9267 8.2732 121.3230 58.5653 41.8324 178.5421 32 Y 4.0450 8.2421 119.0352 60.9766 38.8562 178.3726 33 R 3.8185 8.2202 118.8817 58.8941 30.0574 179.3736 34 V 3.5045 8.0081 118.3733 66.2413 31.5404 178.0311 35 T 3.7914 8.0405 115.7759 67.0800 68.2856 176.3009 36 M 3.8592 8.0851 120.1547 58.7217 32.1378 178.4426 37 T 3.8108 7.8500 116.0013 66.4792 68.6447 176.6945 38 L 3.9653 7.9621 120.8887 57.9126 41.6373 179.3360 39 C 4.0887 8.2172 116.7212 63.0371 28.2380 176.3474 40 L 4.1516 8.2568 120.8833 57.4577 41.0888 179.9201 41 G 3.6368 8.7244 106.2942 47.9014 0.0000 176.0777 42 G 3.8037 8.5871 109.2012 47.6701 0.0000 175.9086 43 T 3.9547 8.0182 117.9601 66.5226 68.4779 176.8619 44 L 4.0817 7.9478 120.7879 57.9535 41.6070 178.9240 45 Y 4.4194 8.4925 120.2193 60.7453 38.7386 178.2478 46 S 3.9686 8.4908 115.7065 61.4071 63.0686 176.5306 47 L 4.0316 8.1048 122.6527 57.5433 41.3039 178.8435 48 Y 4.1046 8.1210 119.5362 61.0014 38.8216 177.8056 49 C 3.8932 8.1768 117.7001 62.6093 28.1711 176.0190 50 L 4.0489 8.0733 122.0379 58.1374 41.5222 179.2253 51 G 3.7192 7.9661 104.4930 47.4116 0.0000 175.2408 52 W 4.2226 8.1871 130.3740 60.3580 30.6615 177.9670 53 A 3.7285 8.0544 118.3191 54.2484 17.8613 179.2919 54 S 3.9565 7.7753 113.1417 59.4578 63.2423 174.3140 55 F 4.5528 7.0070 119.9822 54.4035 40.8982 173.6882 56 P 4.2739 0.0000 0.0000 63.0787 31.8832 176.1156 57 H 4.7258 8.1168 118.0509 57.8251 29.5868 174.6111 58 K 4.3376 8.0264 124.0435 56.9898 32.0059 174.7024 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 F 8.32 4.67 0.00 2.96 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 2 E 8.45 4.53 0.00 2.02 1.85 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 2.22 2.38 0.00 3 N 9.54 4.55 0.00 2.71 2.78 0.00 0.00 6.86 7.65 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 4 R 8.30 4.69 0.00 1.89 1.90 0.00 3.61 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 5 V 8.43 3.62 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 0.99 0.00 0.00 0.98 0.00 0.00 6 A 7.99 4.41 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 7 E 8.11 3.90 0.00 2.20 2.01 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 2.41 2.41 0.00 8 K 7.84 4.11 0.00 2.04 2.09 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.76 7.81 9 Q 8.72 4.10 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 10 K 8.11 3.96 0.00 1.99 1.92 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.68 3.78 0.00 1.48 1.56 0.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.12 4.37 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 13 Q 7.76 4.52 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 14 E 7.34 3.83 0.00 2.06 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 2.30 2.24 0.00 15 D 8.54 4.66 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.77 0.00 2.79 2.83 0.00 0.00 6.33 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 17 G 8.12 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 18 L 7.89 4.32 0.00 1.79 1.57 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.22 2.17 0.00 3.65 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 1.81 1.84 0.00 20 V 8.64 3.63 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 0.85 0.00 0.00 0.88 0.00 0.00 21 H 8.15 4.56 0.00 3.32 3.45 0.00 5.47 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 22 L 8.23 4.69 0.00 1.51 1.57 0.71 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.82 4.14 0.00 2.12 2.14 0.00 2.09 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.38 7.81 24 G 8.62 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 25 G 7.81 3.63 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 0.00 0.00 0.00 26 A 8.84 4.04 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 27 T 7.88 3.86 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 28 D 8.04 4.45 0.00 3.02 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 29 N 8.15 4.44 0.00 2.93 2.92 0.00 0.00 7.11 7.48 0.00 0.00 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 I 7.68 3.72 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.93 0.00 0.00 31 L 8.27 3.93 0.00 1.94 1.88 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.24 4.04 0.00 3.24 3.29 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 33 R 8.22 3.82 0.00 2.09 1.96 0.00 3.29 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 34 V 8.01 3.50 2.25 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 8.04 3.79 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 1.18 0.00 0.00 36 M 8.09 3.86 0.00 1.66 1.43 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 37 T 7.85 3.81 4.34 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 1.17 0.00 0.00 38 L 7.96 3.97 0.00 1.81 1.70 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.22 4.09 0.00 3.06 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 40 L 8.26 4.15 0.00 1.66 1.71 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.72 3.64 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 42 G 8.59 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 0.00 0.00 0.00 43 T 8.02 3.95 4.43 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 1.24 0.00 0.00 44 L 7.95 4.08 0.00 1.99 1.79 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.49 4.42 0.00 2.94 3.19 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 0.00 0.00 0.00 0.00 46 S 8.49 3.97 0.00 4.04 4.25 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 47 L 8.10 4.03 0.00 1.97 1.82 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.12 4.10 0.00 3.23 3.29 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 49 C 8.18 3.89 0.00 3.02 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 50 L 8.07 4.05 0.00 1.77 1.87 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.97 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.19 4.22 0.00 2.97 3.28 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 0.00 53 A 8.05 3.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 3.96 0.00 4.05 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.01 4.55 0.00 2.82 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 56 P 0.00 4.27 0.00 2.10 1.94 0.00 3.79 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 57 H 8.12 4.73 0.00 3.04 3.31 0.00 5.97 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.03 4.34 0.00 1.82 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81