NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1949 8.3049 120.3049 54.6528 34.1421 175.1314 2 K 3.5705 7.7371 117.9395 54.9914 31.5684 174.3262 3 Q 4.2822 5.9436 121.8095 54.3206 30.4668 175.2743 4 W 4.4160 6.8477 113.7014 56.6618 30.7000 172.8770 5 S 4.6400 7.9143 113.0612 58.4315 62.4531 174.6375 6 E 3.2397 9.0379 126.5861 59.5673 29.5804 178.6568 7 N 4.3637 7.9466 114.9655 55.0018 38.7130 177.6119 8 V 3.3852 7.6157 120.8670 65.6998 31.1548 177.2084 9 E 3.4014 7.4695 118.5674 59.1476 29.0303 178.1332 10 E 3.8949 7.4339 118.4928 59.3381 29.7629 178.5481 11 K 4.3086 7.5970 115.9573 57.4805 32.3783 179.0811 12 L 4.0305 7.9529 120.7516 57.4201 41.4204 178.9522 13 K 4.4386 8.0539 118.9727 59.7775 31.9337 178.6070 14 E 4.0747 8.0531 118.9585 59.4290 29.2032 178.9370 15 F 4.2543 8.0335 119.1299 60.5136 39.8922 177.4370 16 V 3.7078 8.4944 118.5003 65.3853 31.3045 177.8720 17 K 4.0913 7.9930 118.1644 59.2668 32.6474 178.3910 18 R 4.1367 8.2227 116.7063 59.7957 30.6454 175.4034 19 H 4.9710 7.8699 116.1212 55.1656 30.9762 175.6158 20 Q 4.4059 8.5344 124.2702 56.6140 28.4919 173.5480 21 R 4.7522 7.4951 121.4394 55.8391 31.5228 175.2623 22 I 4.4731 7.7358 122.2822 58.4100 41.1607 175.8282 23 T 4.1101 8.1485 116.8025 61.6803 70.6649 175.3883 24 Q 4.3035 8.6386 123.2019 59.2201 28.6407 178.3472 25 E 3.9516 8.1110 120.0117 59.4761 29.8111 178.5697 26 E 4.0656 7.7735 118.3627 59.1000 29.4936 178.9526 27 L 4.0777 8.5759 120.9069 58.6869 42.2952 178.6366 28 H 4.2669 8.7118 118.3145 59.2959 29.6193 177.3177 29 Q 4.0708 7.9803 119.3285 59.2177 28.7477 178.0677 30 Y 4.1098 8.4843 120.4264 60.2381 38.7646 177.7680 31 A 3.8676 8.4844 122.3811 55.3516 18.4135 179.4227 32 Q 4.2552 7.7124 113.1795 57.5595 28.9220 178.4590 33 R 3.9349 7.2751 119.9873 59.4645 30.3202 178.0286 34 L 4.0566 7.1483 116.5660 55.4428 42.1742 176.8141 35 G 4.0150 7.9347 108.9183 46.0331 0.0000 173.7979 36 L 4.7718 8.0515 120.7969 53.4375 43.7417 176.2561 37 N 5.0645 8.1153 115.3677 50.7292 41.3083 174.9752 38 E 3.9647 8.9726 121.2913 59.5770 29.4709 179.3717 39 E 3.9082 8.2293 118.6998 59.4717 29.7411 178.7100 40 A 4.1989 8.0099 120.1105 55.0537 18.4566 179.5609 41 I 3.7397 8.0469 118.8712 64.4724 37.1832 178.5818 42 R 4.0885 8.5917 120.0466 59.4891 30.0036 178.0181 43 Q 4.0650 8.3120 119.4594 59.6219 28.7960 178.5872 44 F 4.2434 8.5648 120.2503 60.9375 39.4881 176.9049 45 F 4.4532 8.1078 117.5188 60.3961 38.8517 177.8662 46 E 4.1848 8.8245 116.3614 58.4269 29.5568 177.2417 47 E 4.6750 8.0209 118.5099 55.7261 29.5830 177.3239 48 F 4.0609 7.2982 122.5623 59.4300 39.8729 175.5903 49 E 4.5472 8.7100 116.1912 57.5413 31.8598 175.6877 50 Q 4.5861 8.0576 116.3226 55.8632 29.2211 175.7050 51 R 4.0279 7.9578 117.3345 56.8430 30.5700 176.7088 52 K 4.1810 8.3667 119.8699 57.1828 32.7137 175.9550 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 8.30 4.19 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 K 7.74 3.57 0.00 1.72 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 3 Q 5.94 4.28 0.00 1.13 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.72 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 4 W 6.85 4.42 0.00 3.25 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 5 S 7.91 4.64 0.00 3.95 3.84 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 0.00 0.00 0.00 6 E 9.04 3.24 0.00 2.21 1.96 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 2.39 2.42 0.00 7 N 7.95 4.36 0.00 2.77 2.76 0.00 0.00 6.57 7.64 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 8 V 7.62 3.39 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 0.86 0.00 0.00 0.85 0.00 0.00 9 E 7.47 3.40 0.00 1.16 1.18 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 2.31 1.90 0.00 10 E 7.43 3.89 0.00 1.96 1.93 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 2.28 2.33 0.00 11 K 7.60 4.31 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 12 L 7.95 4.03 0.00 1.13 0.61 0.83 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.05 4.44 0.00 2.12 2.20 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.54 7.81 14 E 8.05 4.07 0.00 2.23 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 2.61 2.51 0.00 15 F 8.03 4.25 0.00 3.02 3.02 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 16 V 8.49 3.71 2.27 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 0.74 0.00 0.00 1.04 0.00 0.00 17 K 7.99 4.09 0.00 2.18 2.26 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.58 7.81 18 R 8.22 4.14 0.00 2.03 2.30 0.00 3.38 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 19 H 7.87 4.97 0.00 3.37 3.06 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.53 4.41 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 21 R 7.50 4.75 0.00 1.88 1.90 0.00 3.03 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 22 I 7.74 4.47 1.41 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.84 0.00 0.00 23 T 8.15 4.11 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 1.20 0.00 0.00 24 Q 8.64 4.30 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 25 E 8.11 3.95 0.00 2.09 1.95 0.00 0.00 0.00 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 2.42 0.00 26 E 7.77 4.07 0.00 1.87 2.03 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 2.35 2.47 0.00 27 L 8.58 4.08 0.00 2.01 1.97 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.71 4.27 0.00 3.49 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.98 4.07 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 30 Y 8.48 4.11 0.00 3.18 3.18 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 31 A 8.48 3.87 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 32 Q 7.71 4.26 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 33 R 7.28 3.93 0.00 1.77 1.80 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 34 L 7.15 4.06 0.00 1.40 1.47 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.93 4.01 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 0.00 0.00 0.00 36 L 8.05 4.77 0.00 1.54 1.63 0.75 0.88 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 37 N 8.12 5.06 0.00 2.91 2.87 0.00 0.00 5.99 8.02 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 38 E 8.97 3.96 0.00 2.13 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 2.51 2.59 0.00 39 E 8.23 3.91 0.00 2.08 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 2.33 2.51 0.00 40 A 8.01 4.20 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.74 2.11 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 1.13 0.00 0.00 42 R 8.59 4.09 0.00 1.95 2.17 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 43 Q 8.31 4.06 0.00 2.36 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 44 F 8.56 4.24 0.00 3.20 3.03 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 45 F 8.11 4.45 0.00 3.32 3.02 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 46 E 8.82 4.18 0.00 2.15 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 0.00 2.54 2.42 0.00 47 E 8.02 4.68 0.00 2.28 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 2.28 2.26 0.00 48 F 7.30 4.06 0.00 2.97 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 49 E 8.71 4.55 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 50 Q 8.06 4.59 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 7.58 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 51 R 7.96 4.03 0.00 1.80 1.91 0.00 3.12 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 52 K 8.37 4.18 0.00 1.80 1.71 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81