NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7980 8.3544 109.7396 44.7747 0.0000 172.9487 2 S 3.6935 7.9854 112.3770 58.3131 62.6087 171.9581 3 S 4.5555 8.3951 124.1233 57.2699 62.7193 171.4379 4 G 4.0172 7.4097 122.0230 44.9009 0.0000 171.7917 5 S 4.7298 7.7809 116.4093 55.0196 66.3640 174.5353 6 S 4.1742 8.7053 119.1877 59.3387 62.9982 175.7251 7 G 4.4131 8.1329 110.5809 45.6648 0.0000 171.6218 8 T 4.1280 8.0106 117.0841 63.4189 68.7462 175.1184 9 A 4.5306 7.6963 121.0262 51.6628 19.3028 176.7108 10 Q 4.1887 7.6805 117.3627 56.0124 29.2763 175.9845 11 P 3.9566 0.0000 0.0000 65.4434 31.3319 178.2775 12 N 3.9439 7.9635 115.0451 55.4601 39.0157 176.9079 13 A 3.9514 7.9152 120.1552 55.5025 18.6748 179.4284 14 I 3.7117 7.2216 116.4404 64.5733 36.7539 178.4096 15 L 3.4966 6.7280 119.5177 57.8235 41.0920 179.3446 16 E 4.2791 8.3517 118.9319 58.4917 29.4762 178.7311 17 K 4.0334 8.4600 120.5480 59.5005 32.5220 178.6653 18 V 3.8797 7.7336 116.8557 64.6156 31.3374 177.2374 19 F 4.8420 8.5234 121.0201 60.5301 39.3558 176.4387 20 T 4.0998 7.6347 106.6387 62.9834 70.1691 176.3059 21 A 3.9928 8.6459 123.9688 53.8000 18.0832 176.6225 22 I 4.3811 6.4286 113.0191 60.7871 39.9140 175.1898 23 T 4.1224 7.9158 110.1754 61.1860 70.8766 174.8586 24 K 3.3209 8.5349 126.9221 58.1401 32.2805 176.9502 25 H 4.7369 7.5957 115.7193 52.6652 28.6250 171.2347 26 P 4.2557 0.0000 0.0000 62.1882 32.3670 177.4314 27 D 4.7079 8.1567 120.5055 52.0350 42.3775 177.1998 28 E 3.9260 8.6244 118.4518 59.8279 29.1608 179.5614 29 K 3.8427 8.0927 116.3275 59.8521 32.3109 178.6591 30 R 3.9697 8.1813 118.3550 59.4708 30.1329 178.1851 31 L 3.9781 7.9616 118.6590 58.2333 41.4557 179.3595 32 E 4.0852 8.3559 117.7162 59.6296 29.5967 179.4941 33 G 3.7196 8.3147 105.7353 47.8067 0.0000 175.7526 34 L 3.8719 7.9552 121.0343 57.4453 41.5906 179.1946 35 S 4.2584 8.0373 114.4725 61.5837 61.9943 175.8673 36 K 3.9921 7.6673 121.7307 58.5491 31.9936 178.1937 37 Q 4.0201 7.7954 119.0367 59.4812 28.9990 179.5176 38 L 3.2390 7.6965 118.2077 55.0952 41.3895 177.1349 39 D 4.5113 7.6323 116.2798 54.9339 39.8140 172.8271 40 W 5.1092 7.5104 116.2734 54.1141 32.6184 174.2570 41 D 4.7982 8.5493 118.4360 53.7303 40.9379 178.0548 42 V 3.8460 8.5747 121.9897 66.5415 30.7561 178.5576 43 R 4.0680 8.0101 116.9334 58.8641 30.0344 178.7462 44 S 4.2912 8.4940 114.6796 61.4911 63.0632 176.5476 45 I 4.2381 8.0532 122.1492 64.6321 37.0620 177.9263 46 Q 4.2969 7.8169 118.5809 59.6247 28.5467 179.8067 47 R 4.0265 7.8480 117.5147 59.4457 30.0741 178.8132 48 W 3.9942 8.8803 128.1200 60.5667 30.7467 177.9063 49 F 4.3633 8.6567 117.6894 60.3557 38.0523 177.3214 50 R 3.9981 8.9040 115.9782 60.1019 28.9231 178.6569 51 Q 3.9126 7.9146 118.2290 58.2709 28.6333 177.9507 52 R 3.2023 7.4536 119.8250 59.5171 29.6005 178.4312 53 R 4.0054 7.5876 116.3427 59.4818 30.2899 178.2330 54 N 4.4282 7.4392 113.6369 56.8165 38.6928 177.0867 55 Q 4.2544 7.9443 117.7616 57.7337 28.8715 176.5383 56 E 4.0937 7.8260 121.8673 55.3096 29.3466 176.4951 57 K 4.2367 8.3820 126.4073 55.3416 32.8805 175.5487 58 P 4.5172 0.0000 0.0000 62.5599 32.0715 175.9763 59 S 4.4071 8.3423 114.3930 58.7735 64.2364 174.8368 60 G 4.0130 8.6624 108.6974 44.5634 0.0000 171.3308 61 P 4.4905 0.0000 0.0000 62.7647 32.0599 177.0956 62 S 4.5794 8.2080 116.2690 56.8960 61.9131 172.7354 63 S 4.5638 7.8142 117.4267 57.5457 64.0170 174.2221 64 G 4.0542 8.8462 114.4412 45.9496 0.0000 173.4328 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 G 8.35 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 2 S 7.99 3.69 0.00 3.93 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 3 S 8.40 4.56 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 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 0.00 0.00 0.00 5 S 7.78 4.73 0.00 3.83 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 6 S 8.71 4.17 0.00 3.96 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 7 G 8.13 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.13 4.22 0.00 0.00 0.00 0.00 0.00 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 9 A 7.70 4.53 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.68 4.19 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 11 P 0.00 3.96 0.00 2.47 2.33 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 12 N 7.96 3.94 0.00 2.84 3.00 0.00 0.00 7.15 8.28 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 13 A 7.92 3.95 1.29 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 0.00 0.00 14 I 7.22 3.71 1.61 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.78 0.00 0.00 15 L 6.73 3.50 0.00 0.27 0.13 -0.53 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.35 4.28 0.00 2.10 2.13 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 2.45 2.48 0.00 17 K 8.46 4.03 0.00 1.82 1.98 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 V 7.73 3.88 2.33 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 1.11 0.00 0.00 0.96 0.00 0.00 19 F 8.52 4.84 0.00 3.79 3.47 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 20 T 7.63 4.10 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 1.51 0.00 0.00 21 A 8.65 3.99 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 22 I 6.43 4.38 2.13 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 1.21 1.01 0.90 0.00 0.00 23 T 7.92 4.12 4.19 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 1.18 0.00 0.00 24 K 8.53 3.32 0.00 1.60 1.40 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.06 1.11 7.81 25 H 7.60 4.74 0.00 3.06 3.18 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.26 0.00 1.87 1.75 0.00 3.37 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.00 27 D 8.16 4.71 0.00 2.94 2.82 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 28 E 8.62 3.93 0.00 2.07 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 2.42 2.50 0.00 29 K 8.09 3.84 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 R 8.18 3.97 0.00 2.05 1.98 0.00 3.07 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 31 L 7.96 3.98 0.00 1.89 1.82 0.94 0.83 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 32 E 8.36 4.09 0.00 2.18 2.04 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 2.37 2.49 0.00 33 G 8.31 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 34 L 7.96 3.87 0.00 1.87 1.58 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.04 4.26 0.00 3.92 4.11 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 36 K 7.67 3.99 0.00 1.69 1.77 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 37 Q 7.80 4.02 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 38 L 7.70 3.24 0.00 0.43 0.13 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.63 4.51 0.00 2.74 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 40 W 7.51 5.11 0.00 3.45 2.94 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 0.00 0.00 0.00 41 D 8.55 4.80 0.00 2.87 2.64 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 42 V 8.57 3.85 2.13 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 1.20 0.00 0.00 0.97 0.00 0.00 43 R 8.01 4.07 0.00 1.95 2.00 0.00 3.22 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 44 S 8.49 4.29 0.00 4.19 3.95 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 0.00 0.00 0.00 45 I 8.05 4.24 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.96 1.14 0.00 0.00 46 Q 7.82 4.30 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 47 R 7.85 4.03 0.00 2.22 2.06 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 48 W 8.88 3.99 0.00 3.49 3.33 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 49 F 8.66 4.36 0.00 3.52 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 50 R 8.90 4.00 0.00 2.04 2.34 0.00 2.80 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 51 Q 7.91 3.91 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 52 R 7.45 3.20 0.00 0.67 1.56 0.00 2.51 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 53 R 7.59 4.01 0.00 1.92 2.11 0.00 3.32 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 54 N 7.44 4.43 0.00 2.82 2.87 0.00 0.00 7.13 7.57 0.00 0.00 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 Q 7.94 4.25 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 56 E 7.83 4.09 0.00 1.87 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 0.00 2.46 2.41 0.00 57 K 8.38 4.24 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.42 7.81 58 P 0.00 4.52 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 59 S 8.34 4.41 0.00 4.01 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 60 G 8.66 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 61 P 0.00 4.49 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 62 S 8.21 4.58 0.00 3.86 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 63 S 7.81 4.56 0.00 3.82 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 64 G 8.85 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00