NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9911 8.3393 109.7353 45.4986 0.0000 172.6567 0 S 4.5957 8.2642 112.8263 54.4871 66.5891 172.1804 1 S 3.9315 8.1550 117.5272 56.9244 64.1442 175.8623 2 G 3.3855 5.6022 104.4995 45.4264 0.0000 169.8937 3 V 5.0636 8.3400 119.8129 61.3934 34.2222 176.5877 4 R 4.6710 9.5097 126.8467 54.5571 33.0095 174.9304 5 L 5.3001 7.4647 122.0154 53.3629 45.2100 175.3882 6 W 5.0505 9.3318 124.3138 54.7886 33.3834 176.2224 7 A 4.2507 8.9604 123.7249 54.7542 19.1648 177.6935 8 T 4.9234 7.7670 103.2260 58.7628 72.5006 174.6212 9 R 3.7698 8.7185 121.5794 59.8561 30.0539 178.3206 10 Q 3.8565 8.0166 118.3880 59.0100 28.8668 177.9012 11 A 3.8842 7.5443 120.4353 55.2369 18.7470 178.9452 12 M 2.5500 7.6328 116.6379 58.3292 32.0373 178.4828 13 L 3.8672 7.7187 118.2050 57.5457 41.7614 179.5137 14 G 3.6106 7.6141 104.6134 46.6756 0.0000 174.7271 15 Q 4.6270 7.2647 118.1087 55.5566 29.8636 177.8749 16 V 3.3786 7.2492 120.8142 64.9649 31.0681 177.6522 17 H 4.0605 8.1953 115.6043 58.5114 28.6211 176.3146 18 E 4.3657 7.9459 117.2385 55.3814 29.8762 176.2552 19 V 3.8063 6.9980 120.4439 61.0671 32.4555 174.1168 20 P 4.5677 0.0000 0.0000 61.7744 32.2327 175.6182 21 E 4.1868 8.6896 119.9403 58.5136 29.8018 178.6645 22 G 4.0887 9.3038 111.0578 44.9809 0.0000 173.6437 23 W 4.5640 8.0267 120.5235 56.1438 30.7421 175.9167 24 L 5.1003 8.8021 123.4530 54.2905 43.4787 175.8627 25 I 5.3392 9.2425 121.9602 59.8135 41.1252 174.0197 26 F 5.4233 9.6225 129.8477 56.3325 42.2844 174.0492 27 V 4.6453 7.7349 125.5011 61.0269 32.9922 176.0849 28 A 3.8898 8.8314 132.2777 55.2458 18.6608 178.0996 29 E 4.0711 8.2837 115.8094 59.4587 29.6347 177.9827 30 Q 4.1637 7.9484 114.2924 55.8831 29.4483 175.2016 31 E 3.7049 7.2945 116.3059 57.6596 27.9040 174.1275 32 E 4.6829 7.4560 115.6432 54.3282 33.3082 175.6557 33 L 5.3171 8.0555 123.8716 53.6552 45.4919 174.6301 34 Y 5.5560 9.4517 122.5714 56.3220 43.0973 174.2300 35 V 5.0180 8.9746 120.6874 59.8548 34.4328 174.9669 36 R 4.5712 9.2394 125.6865 56.6346 31.4263 175.6675 37 V 4.8117 8.8046 118.7596 58.9420 36.5892 174.5155 38 Q 4.4759 8.7316 121.6131 57.3073 28.8464 175.2691 39 N 4.2369 8.9959 123.1441 52.9176 38.0959 174.5611 40 G 3.9841 6.7620 102.9014 45.7506 0.0000 171.8430 41 F 5.4293 7.6113 114.4557 55.6485 41.2891 174.1479 42 R 4.7702 9.2838 119.5515 54.0701 33.0240 175.2026 43 K 4.5301 8.9902 125.6764 56.5189 33.0724 176.0880 44 V 4.0806 8.4205 128.1156 61.9632 32.4766 175.6433 45 Q 4.1349 8.7441 127.3457 55.8394 29.0633 175.4605 46 L 4.7546 8.2722 122.4829 52.9176 44.4948 176.0331 47 E 4.3944 8.3368 120.6700 54.5708 31.2662 175.9044 48 A 4.1509 8.1788 122.3329 52.0040 18.8976 177.4552 49 R 3.9710 8.3884 120.5671 56.7386 30.6780 176.1643 50 T 4.4128 8.2571 121.8868 61.6235 69.6792 173.1977 51 P 4.5132 0.0000 0.0000 61.9790 32.1876 176.1975 52 L 4.2588 8.0770 119.8494 53.7956 42.2968 175.7247 53 P 4.4162 0.0000 0.0000 62.4833 32.0177 176.9712 54 R 4.1072 8.4221 119.0350 56.6688 29.9896 176.6927 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 8.34 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.26 4.60 0.00 3.90 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 1 S 8.16 3.93 0.00 2.72 2.84 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 2 G 5.60 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.34 5.06 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 0.94 0.00 0.00 0.92 0.00 0.00 4 R 9.51 4.67 0.00 1.80 1.04 0.00 3.19 0.00 0.00 2.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 5 L 7.46 5.30 0.00 1.57 1.32 1.32 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 W 9.33 5.05 0.00 3.35 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 7 A 8.96 4.25 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 8 T 7.77 4.92 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 1.27 0.00 0.00 9 R 8.72 3.77 0.00 1.89 1.96 0.00 3.17 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 1.65 1.68 0.00 10 Q 8.02 3.86 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 11 A 7.54 3.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.63 2.55 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.75 0.00 13 L 7.72 3.87 0.00 1.49 1.62 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.61 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.26 4.63 0.00 1.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 16 V 7.25 3.38 1.73 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 0.75 0.00 0.00 0.58 0.00 0.00 17 H 8.20 4.06 0.00 3.06 3.41 0.00 5.88 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 18 E 7.95 4.37 0.00 2.07 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 2.29 2.29 0.00 19 V 7.00 3.81 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 0.81 0.00 0.00 1.13 0.00 0.00 20 P 0.00 4.57 0.00 2.52 2.05 0.00 2.74 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 1.96 1.99 0.00 21 E 8.69 4.19 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.40 0.00 22 G 9.30 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.03 4.56 0.00 3.46 3.30 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 0.00 24 L 8.80 5.10 0.00 1.75 1.71 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.24 5.34 2.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 1.14 0.00 0.00 26 F 9.62 5.42 0.00 3.15 2.95 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 27 V 7.73 4.65 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 0.88 0.00 0.00 1.02 0.00 0.00 28 A 8.83 3.89 1.43 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 0.00 0.00 0.00 29 E 8.28 4.07 0.00 2.02 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 2.33 2.34 0.00 30 Q 7.95 4.16 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 31 E 7.29 3.70 0.00 2.10 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 2.45 2.29 0.00 32 E 7.46 4.68 0.00 1.79 1.25 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 2.17 2.42 0.00 33 L 8.06 5.32 0.00 1.93 1.48 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.45 5.56 0.00 2.89 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 35 V 8.97 5.02 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 1.09 0.00 0.00 36 R 9.24 4.57 0.00 2.11 2.12 0.00 3.43 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 37 V 8.80 4.81 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 0.88 0.00 0.00 1.00 0.00 0.00 38 Q 8.73 4.48 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 39 N 9.00 4.24 0.00 2.85 2.83 0.00 0.00 7.06 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.61 5.43 0.00 3.13 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 42 R 9.28 4.77 0.00 1.82 1.92 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 K 8.99 4.53 0.00 1.98 1.78 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.07 7.81 44 V 8.42 4.08 2.18 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 0.81 0.00 0.00 0.98 0.00 0.00 45 Q 8.74 4.13 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 46 L 8.27 4.75 0.00 1.60 1.56 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.34 4.39 0.00 1.95 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 2.27 2.29 0.00 48 A 8.18 4.15 1.24 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 0.00 0.00 0.00 49 R 8.39 3.97 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 50 T 8.26 4.41 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 51 P 0.00 4.51 0.00 2.04 1.98 0.00 3.67 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 2.02 2.10 0.00 52 L 8.08 4.26 0.00 1.63 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.42 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 54 R 8.42 4.11 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00