NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3656 8.1849 120.6247 53.6952 44.2062 177.1758 2 N 4.6642 8.2599 115.7737 51.7833 41.5848 173.3000 3 T 4.7914 8.8238 107.9597 58.9454 74.1325 174.1944 4 F 4.2021 8.9163 121.6865 61.6716 39.2727 176.0884 5 Y 4.0710 8.2196 118.5673 60.8327 38.6365 177.6353 6 D 4.1957 7.8275 118.4388 57.4529 40.9424 179.0495 7 V 3.5215 7.5257 118.1177 65.9299 31.4407 177.9938 8 Q 3.7492 7.6242 117.8385 59.0660 28.3521 178.9771 9 Q 3.8643 7.5548 118.8552 58.3705 27.0564 178.4024 10 L 3.9668 7.6814 121.5215 58.3762 42.2545 179.2188 11 L 4.4116 8.0826 118.5396 57.3155 41.5086 179.3731 12 K 4.0713 8.0496 120.0410 59.5756 31.8535 178.9414 13 T 3.8717 7.6920 115.3089 65.5231 68.2235 175.5095 14 F 4.6856 7.5153 116.7974 56.9686 39.5713 176.8846 15 G 3.8694 8.2885 108.6601 45.4651 0.0000 173.9186 16 H 4.6883 8.0418 117.3104 54.7161 28.1643 175.1362 17 I 4.3970 8.2004 119.1376 58.7019 37.4795 175.0486 18 V 4.3542 7.7773 119.8581 60.3130 34.1940 175.8466 19 Y 4.2530 7.9990 122.7890 57.5319 39.4804 174.1586 20 F 4.7270 8.4804 126.6655 57.3038 39.8313 177.4936 21 G 3.5404 8.3936 108.4056 45.3601 0.0000 173.4153 22 D 4.4116 7.4894 118.7052 51.5555 43.8249 175.3614 23 R 3.7461 8.5608 127.8609 59.4506 30.1859 177.7523 24 E 3.9090 8.1742 118.5558 59.4131 29.7034 178.7042 25 L 4.1929 8.5338 119.0575 57.7006 41.6472 179.2903 26 E 3.8708 8.4021 118.7287 59.3945 29.2760 179.4279 27 I 3.9102 8.1773 120.1283 64.4973 37.2156 178.3494 28 E 4.0310 8.3337 119.4476 59.2372 29.2109 179.1473 29 F 4.3078 8.5470 120.6548 61.7929 39.5735 176.8118 30 M 3.9712 8.6691 118.6583 58.7490 31.7899 178.9008 31 L 4.0305 8.3204 119.0741 57.7787 41.7619 179.3525 32 D 4.3107 7.9298 118.7945 57.4426 40.7423 178.6411 33 E 3.7578 7.9711 119.1448 59.2547 29.2729 179.4964 34 L 3.9841 8.0670 119.1247 57.6230 41.7029 179.4449 35 K 3.8139 8.2121 119.6476 59.4854 32.1281 178.7526 36 E 3.8642 8.2284 118.8488 59.2407 29.2808 179.2363 37 L 3.7955 7.8827 119.0355 57.9350 41.6163 179.0267 38 Y 4.0832 8.0181 119.4420 61.0371 38.4657 177.8687 39 M 3.5453 7.9128 118.7079 57.8580 31.9914 177.4545 40 N 4.4934 7.6085 114.1460 52.4937 38.8137 174.7411 41 H 4.0734 7.4501 115.7884 57.2914 26.7393 175.4814 42 M 4.5022 8.2135 118.2211 55.6246 32.3608 176.4288 43 I 4.7369 7.2105 111.3692 58.0606 40.8939 175.2782 44 E 4.3207 9.0469 122.7713 55.9080 31.2788 178.1757 45 K 3.3289 8.7862 122.0884 59.9138 32.2611 178.9259 46 E 3.9829 8.1688 118.1140 59.5460 29.3572 179.2722 47 Q 3.9990 8.0016 117.6375 58.4974 28.8546 178.2331 48 W 3.9873 8.2727 129.2391 60.2969 30.7525 177.8927 49 A 3.0406 8.2911 121.1560 54.9129 17.7319 179.6559 50 R 3.6989 7.7991 116.8391 59.2294 30.1341 178.5874 51 A 3.8406 8.1961 120.8539 55.0767 18.3151 179.4936 52 A 3.7047 7.6487 119.2904 54.9494 18.3102 179.6162 53 A 3.7767 7.5662 119.2738 55.3370 18.4462 179.9285 54 V 3.5196 7.8054 116.7314 66.3135 31.5560 178.2892 55 L 4.1207 7.9598 118.6026 57.7696 41.5348 179.7193 56 R 3.9251 8.1819 118.5257 58.9067 29.8882 179.0350 57 K 3.9214 8.0715 119.5697 59.4384 32.2798 178.4328 58 E 3.8829 8.3223 119.6987 59.2696 29.2935 178.5351 59 L 3.9220 7.8246 119.3042 58.1471 42.2135 178.3012 60 E 4.0642 7.8677 117.9518 59.3726 29.6707 178.5649 61 Q 4.1262 8.0851 117.5712 58.4739 28.8135 176.8569 62 T 4.2025 7.7489 114.8646 61.9633 69.2410 174.3219 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 L 8.18 4.37 0.00 1.65 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.26 4.66 0.00 2.77 2.82 0.00 0.00 6.66 6.65 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 3 T 8.82 4.79 4.37 0.00 0.00 0.00 0.00 0.00 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 4 F 8.92 4.20 0.00 3.36 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 5 Y 8.22 4.07 0.00 3.14 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 6 D 7.83 4.20 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.52 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 0.93 0.00 0.00 0.90 0.00 0.00 8 Q 7.62 3.75 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 1.99 1.60 0.00 9 Q 7.55 3.86 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.84 2.07 0.00 10 L 7.68 3.97 0.00 1.77 1.87 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.08 4.41 0.00 1.73 1.77 0.92 0.43 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 12 K 8.05 4.07 0.00 1.95 1.94 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 13 T 7.69 3.87 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 0.54 0.00 0.00 14 F 7.52 4.69 0.00 3.24 3.16 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 0.00 0.00 0.00 0.00 15 G 8.29 3.87 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 0.00 0.00 0.00 16 H 8.04 4.69 0.00 3.27 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.20 4.40 1.90 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 1.45 0.71 0.93 0.00 0.00 18 V 7.78 4.35 1.49 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 0.73 0.00 0.00 0.73 0.00 0.00 19 Y 8.00 4.25 0.00 2.87 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 20 F 8.48 4.73 0.00 2.94 2.81 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 0.00 0.00 0.00 0.00 21 G 8.39 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.49 4.41 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 3.75 0.00 1.79 1.79 0.00 2.40 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 24 E 8.17 3.91 0.00 2.06 2.07 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 2.40 2.41 0.00 25 L 8.53 4.19 0.00 2.07 1.92 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.40 3.87 0.00 2.14 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 0.00 1.60 1.63 0.00 27 I 8.18 3.91 2.14 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.92 0.98 0.00 0.00 28 E 8.33 4.03 0.00 2.29 2.09 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 2.39 2.73 0.00 29 F 8.55 4.31 0.00 3.61 3.48 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 0.00 0.00 0.00 0.00 30 M 8.67 3.97 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.65 0.00 31 L 8.32 4.03 0.00 1.89 1.76 0.94 1.22 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 32 D 7.93 4.31 0.00 2.65 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 33 E 7.97 3.76 0.00 1.85 1.65 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 1.47 1.88 0.00 34 L 8.07 3.98 0.00 1.98 2.03 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.21 3.81 0.00 2.13 2.02 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.44 7.81 36 E 8.23 3.86 0.00 2.09 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 2.36 2.41 0.00 37 L 7.88 3.80 0.00 1.72 1.41 0.23 0.04 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 38 Y 8.02 4.08 0.00 2.63 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 39 M 7.91 3.55 0.00 1.76 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.32 0.00 40 N 7.61 4.49 0.00 2.68 2.75 0.00 0.00 7.05 7.73 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 41 H 7.45 4.07 0.00 3.28 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.21 4.50 0.00 2.11 1.97 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 2.75 2.55 0.00 43 I 7.21 4.74 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.75 0.00 0.00 44 E 9.05 4.32 0.00 2.11 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 2.40 2.38 0.00 45 K 8.79 3.33 0.00 1.94 1.85 0.00 1.86 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.30 7.81 46 E 8.17 3.98 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 2.48 0.00 47 Q 8.00 4.00 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 48 W 8.27 3.99 0.00 3.27 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 49 A 8.29 3.04 1.21 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 0.00 0.00 50 R 7.80 3.70 0.00 1.95 1.90 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 51 A 8.20 3.84 1.27 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 0.00 0.00 52 A 7.65 3.70 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.78 1.28 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 0.00 0.00 54 V 7.81 3.52 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 1.11 0.00 0.00 0.98 0.00 0.00 55 L 7.96 4.12 0.00 1.88 1.75 0.93 1.09 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 56 R 8.18 3.93 0.00 1.93 1.94 0.00 3.27 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 57 K 8.07 3.92 0.00 1.82 1.98 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 58 E 8.32 3.88 0.00 2.36 2.12 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 2.25 2.14 0.00 59 L 7.82 3.92 0.00 1.81 1.88 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.87 4.06 0.00 2.16 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 0.00 2.31 2.38 0.00 61 Q 8.09 4.13 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 62 T 7.75 4.20 4.16 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 0.00 0.00 0.00 1.19 0.00 0.00