NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3805 8.2993 120.1531 56.0232 33.7816 175.9942 2 S 4.2551 8.4522 117.0381 57.2802 64.9282 173.2185 3 P 4.5121 0.0000 0.0000 65.8884 31.4222 180.0894 4 E 3.9894 8.2303 116.9441 59.4058 29.5113 179.1271 5 E 4.0613 8.1920 118.2185 59.5755 29.5851 179.3080 6 L 4.4131 8.7105 119.3389 57.9107 41.6119 179.6283 7 K 3.5913 8.6987 120.0741 59.2214 31.9393 179.1070 8 G 3.6452 7.9000 106.1319 47.8244 0.0000 175.7555 9 I 3.8732 7.8402 121.8427 64.0978 37.2657 177.9378 10 F 3.8548 8.5179 121.5407 61.6854 39.1964 177.0273 11 E 4.0444 8.6914 118.0720 59.3187 29.0032 179.3061 12 K 3.8062 7.6701 118.6893 59.6891 32.4173 178.0310 13 Y 4.1435 7.8249 116.5120 60.3966 37.5045 177.7758 14 A 3.8556 7.9501 121.6361 54.7636 18.1839 179.3452 15 A 3.6902 7.6898 118.0899 54.2803 18.3971 179.3862 16 K 3.9931 7.1952 117.1863 58.2223 32.4211 176.3835 17 E 4.6048 7.6053 112.5835 56.1424 33.2038 176.8662 18 G 3.6415 8.5197 106.8412 46.2343 0.0000 173.6106 19 D 4.4472 8.5077 122.7734 53.3814 41.5437 175.4476 20 P 4.6692 0.0000 0.0000 64.4172 31.5345 176.3383 21 N 5.1658 8.2934 115.6414 53.2326 38.8725 173.9100 22 Q 5.1593 7.9532 115.9842 54.2125 33.5463 174.2433 23 L 4.8711 8.5985 122.1219 53.3776 45.3575 176.5820 24 S 5.1537 9.0330 121.2431 56.6851 64.8864 175.1905 25 K 3.3925 8.4233 119.7842 59.4759 31.6618 178.3664 26 E 3.9077 7.9473 118.4299 59.3636 29.4684 178.9335 27 E 3.9972 7.7490 118.2041 59.2050 29.4063 179.2352 28 L 3.9136 7.7862 120.4011 57.9303 42.1688 179.0203 29 K 3.9017 8.2745 118.8260 59.5929 32.0259 179.2795 30 L 3.9772 7.8135 119.0391 57.5381 41.5363 179.2347 31 L 2.7561 7.6479 120.2073 57.7851 41.8488 179.1440 32 L 4.1798 8.0502 118.8599 57.9092 41.3965 179.0069 33 Q 3.9506 7.9351 118.2264 59.5639 29.0040 177.9936 34 T 4.2320 7.7558 111.8001 63.7293 67.7902 175.6668 35 E 4.2195 8.6207 119.5220 56.9368 31.5025 176.5476 36 F 4.9521 8.3199 116.9837 55.0085 40.1926 173.6791 37 P 4.3328 0.0000 0.0000 65.9306 31.5255 179.3995 38 S 4.2413 8.0656 112.1511 60.7116 63.0977 175.0432 39 L 4.2317 8.0597 119.8689 56.2181 41.5695 177.1077 40 L 4.6569 7.6468 117.9246 54.5152 41.9509 176.3450 41 K 4.4528 7.9505 117.1956 55.4385 34.2641 178.2784 42 G 3.9324 8.5274 110.8332 44.0254 0.0000 171.0232 43 P 4.2005 0.0000 0.0000 63.2597 31.3704 175.5256 44 S 4.6828 8.4987 117.0660 57.2033 63.9686 173.3723 45 T 4.7691 8.0816 114.0734 60.6657 69.2798 175.7843 46 L 3.9636 8.0066 125.4859 59.0840 42.0783 178.9196 47 D 4.4801 8.0835 118.1580 57.1965 40.3899 178.6192 48 E 3.9963 8.1238 118.7796 59.3621 29.6652 179.0777 49 L 4.0204 8.0661 119.0368 57.6979 41.7237 179.1887 50 F 3.7838 8.7302 123.3962 62.0613 39.0907 177.6252 51 E 4.1233 8.2121 116.2855 61.2963 29.5588 180.4704 52 E 4.3013 7.9584 118.5792 59.2152 29.6026 179.0815 53 L 4.1586 7.7054 118.0913 56.5874 43.3561 178.2500 54 D 4.5171 7.6529 119.5539 52.9687 37.6282 176.3854 55 K 3.9078 7.8645 122.5260 59.0924 31.5263 177.9370 56 N 4.5854 8.2667 113.7298 52.2357 37.5430 175.2701 57 G 4.1997 7.8719 106.6320 47.0826 0.0000 173.9570 58 D 4.6489 8.0595 116.5010 52.5056 39.6205 177.2010 59 G 4.1299 9.2970 107.8761 46.2400 0.0000 173.0747 60 E 5.2958 8.3837 116.9114 54.6138 33.9462 175.3114 61 V 4.7700 8.6868 114.9502 59.5524 35.6096 176.0459 62 S 4.9810 8.9290 118.9365 57.7052 64.9374 174.9605 63 F 3.1649 8.6743 120.3750 61.3707 38.9790 176.6654 64 E 3.5086 7.9825 117.5518 59.2620 29.1203 179.1453 65 E 3.8821 7.7831 117.7550 59.2074 29.4463 179.0674 66 F 4.2321 8.2564 120.7496 61.2660 39.4460 177.1622 67 Q 3.3774 7.7470 117.6481 58.7780 28.4132 178.8475 68 V 3.3944 7.4558 119.0533 65.8556 31.4025 177.5900 69 L 3.8064 7.9572 120.2338 58.2397 41.6801 179.1519 70 V 3.2072 7.1334 116.6105 65.6755 31.4985 177.7306 71 K 3.9461 7.6506 118.0916 59.5869 31.9432 179.5137 72 K 3.9317 8.1604 118.7648 59.4083 31.8218 179.2708 73 I 3.7897 7.7105 117.4485 63.3746 37.9284 177.3782 74 S 4.3669 7.6191 114.9428 59.8431 62.8904 173.9652 75 Q 4.2003 7.8387 124.4701 56.0900 28.4363 175.1654 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 K 8.30 4.38 0.00 1.99 1.97 0.00 1.98 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.53 7.81 2 S 8.45 4.26 0.00 4.23 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.29 2.30 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 4 E 8.23 3.99 0.00 2.09 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 2.42 2.48 0.00 5 E 8.19 4.06 0.00 2.42 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 0.00 2.38 2.41 0.00 6 L 8.71 4.41 0.00 2.18 2.28 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.70 3.59 0.00 1.41 1.79 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 1.24 7.81 8 G 7.90 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 9 I 7.84 3.87 2.34 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 1.25 0.00 0.00 10 F 8.52 3.85 0.00 3.07 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 11 E 8.69 4.04 0.00 2.21 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 2.43 2.64 0.00 12 K 7.67 3.81 0.00 1.62 2.07 0.00 1.70 0.00 0.00 1.29 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.75 1.21 7.81 13 Y 7.82 4.14 0.00 2.89 2.88 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 14 A 7.95 3.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 3.69 1.35 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 0.00 0.00 0.00 16 K 7.20 3.99 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.62 7.81 17 E 7.61 4.60 0.00 1.92 1.87 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 2.17 2.35 0.00 18 G 8.52 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 19 D 8.51 4.45 0.00 2.72 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 20 P 0.00 4.67 0.00 2.24 2.16 0.00 3.80 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 2.02 2.00 0.00 21 N 8.29 5.17 0.00 2.98 2.97 0.00 0.00 6.69 7.49 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 22 Q 7.95 5.16 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 23 L 8.60 4.87 0.00 1.51 1.52 0.50 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.03 5.15 0.00 3.94 4.02 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 0.00 0.00 0.00 25 K 8.42 3.39 0.00 0.79 1.45 0.00 1.38 0.00 0.00 0.72 0.00 0.00 2.58 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.05 7.81 26 E 7.95 3.91 0.00 2.01 1.94 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 2.33 2.34 0.00 27 E 7.75 4.00 0.00 2.25 1.97 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 2.34 2.31 0.00 28 L 7.79 3.91 0.00 1.91 1.88 1.18 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.27 3.90 0.00 1.94 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.54 7.81 30 L 7.81 3.98 0.00 1.89 1.81 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.65 2.76 0.00 1.02 1.62 0.60 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.05 4.18 0.00 1.90 1.78 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.94 3.95 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 34 T 7.76 4.23 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 35 E 8.62 4.22 0.00 1.90 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 2.42 2.57 0.00 36 F 8.32 4.95 0.00 2.97 2.90 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 37 P 0.00 4.33 0.00 2.24 2.52 0.00 3.77 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 2.10 1.99 0.00 38 S 8.07 4.24 0.00 4.03 4.08 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 0.00 0.00 0.00 39 L 8.06 4.23 0.00 1.82 1.74 0.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.65 4.66 0.00 1.85 1.69 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.95 4.45 0.00 1.74 1.72 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.37 7.81 42 G 8.53 3.93 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 0.00 0.00 0.00 43 P 0.00 4.20 0.00 2.19 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 44 S 8.50 4.68 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.77 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 46 L 8.01 3.96 0.00 1.84 1.72 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.08 4.48 0.00 2.75 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 48 E 8.12 4.00 0.00 2.20 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 2.41 2.47 0.00 49 L 8.07 4.02 0.00 1.80 1.70 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.73 3.78 0.00 3.28 3.12 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 0.00 0.00 0.00 51 E 8.21 4.12 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 52 E 7.96 4.30 0.00 2.08 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 2.33 2.51 0.00 53 L 7.71 4.16 0.00 1.47 1.55 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.65 4.52 0.00 2.47 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 55 K 7.86 3.91 0.00 1.73 1.85 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 56 N 8.27 4.59 0.00 2.95 3.04 0.00 0.00 6.14 7.91 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 57 G 7.87 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.06 4.65 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.30 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.38 5.30 0.00 1.93 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 2.33 2.53 0.00 61 V 8.69 4.77 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 0.30 0.00 0.00 1.18 0.00 0.00 62 S 8.93 4.98 0.00 3.96 4.07 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 63 F 8.67 3.16 0.00 2.16 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 64 E 7.98 3.51 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 2.35 2.35 0.00 65 E 7.78 3.88 0.00 2.25 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 2.24 2.24 0.00 66 F 8.26 4.23 0.00 3.38 3.37 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 0.00 67 Q 7.75 3.38 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.05 1.38 0.00 68 V 7.46 3.39 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 0.99 0.00 0.00 0.87 0.00 0.00 69 L 7.96 3.81 0.00 1.82 1.70 1.03 0.83 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 70 V 7.13 3.21 1.63 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 0.31 0.00 0.00 -0.01 0.00 0.00 71 K 7.65 3.95 0.00 2.02 1.74 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.34 7.81 72 K 8.16 3.93 0.00 1.71 1.80 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 73 I 7.71 3.79 1.93 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 1.49 0.72 0.89 0.00 0.00 74 S 7.62 4.37 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.84 4.20 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00