NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6585 8.1293 118.3554 57.0749 39.2564 174.5717 2 P 4.0547 0.0000 0.0000 62.1662 32.1046 173.5412 3 A 3.5457 9.0286 122.6293 53.0986 15.7658 176.1064 4 K 3.5968 8.4183 119.0556 56.2148 29.8913 173.1050 5 P 4.6078 0.0000 0.0000 62.4892 32.1369 177.0020 6 E 4.3731 8.4780 118.4715 55.8159 32.0335 175.8822 7 A 4.5668 7.8508 127.3757 50.2264 20.0587 172.5465 8 P 4.3766 0.0000 0.0000 62.4156 33.1615 177.5516 9 G 4.1523 8.2463 111.0389 45.9047 0.0000 173.1687 10 E 4.5473 8.7367 125.9660 55.6837 30.3038 176.6673 11 D 4.5963 7.6155 113.4751 52.4794 41.3186 176.1318 12 A 4.4143 7.6029 121.1674 50.8464 21.2921 176.2200 13 S 4.6214 8.2733 118.4631 57.5113 65.0211 175.1747 14 A 4.1641 8.4513 122.0271 54.1897 18.0915 178.3080 15 E 4.2993 7.8985 117.3443 58.3978 30.5929 177.3448 16 E 4.0381 8.2340 118.0521 59.4911 29.3915 179.1330 17 L 4.0763 7.8245 120.6057 58.1790 42.1436 179.1178 18 S 4.2708 8.1732 113.7844 61.6835 62.6658 176.2778 19 R 3.9339 7.9461 121.3672 59.2038 30.0619 177.5286 20 Y 3.9764 8.2731 119.4616 60.6078 38.1082 177.0924 21 Y 4.0803 8.7912 118.0730 60.4839 37.8768 176.9434 22 A 4.1790 8.3323 119.2924 53.0453 19.0593 178.7361 23 S 4.3840 7.6983 114.5155 60.4303 63.1866 176.4105 24 L 4.0786 7.3854 123.2180 59.1623 39.8500 179.7016 25 R 4.1584 8.1381 118.2311 58.1147 29.8218 178.0274 26 H 4.4160 7.9399 117.7669 58.7267 30.2255 175.9350 27 Y 4.0979 8.0242 120.1119 60.8163 38.8094 177.9578 28 L 3.6920 8.2537 120.0054 57.8124 41.7464 179.1602 29 N 4.5220 7.5962 117.6488 55.7207 38.7758 176.2327 30 L 4.2372 8.1925 119.4942 55.9857 41.4131 177.9489 31 V 4.3328 7.3868 116.9173 62.5737 33.0942 175.6974 32 T 4.7448 8.2501 121.9095 63.4068 66.9419 177.0507 33 R 3.9282 9.0232 128.0768 60.0652 29.9324 176.7408 34 Q 4.4227 7.7537 113.6558 55.0103 30.0260 174.8870 35 R 5.0808 8.4081 118.8224 53.1642 32.9471 174.5029 36 Y 4.3407 9.1231 122.0849 57.4794 37.7697 176.0182 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 Y 8.13 4.66 0.00 3.03 2.89 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 0.00 0.00 0.00 2 P 0.00 4.05 0.00 2.30 2.08 0.00 4.18 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 2.06 2.10 0.00 3 A 9.03 3.55 1.41 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 4 K 8.42 3.60 0.00 1.84 1.81 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.38 7.81 5 P 0.00 4.61 0.00 2.35 2.20 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 6 E 8.48 4.37 0.00 1.94 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 2.18 2.44 0.00 7 A 7.85 4.57 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 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.38 0.00 2.14 1.99 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 9 G 8.25 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.55 0.00 1.88 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 2.19 2.31 0.00 11 D 7.62 4.60 0.00 2.59 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 12 A 7.60 4.41 1.14 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 0.00 0.00 0.00 0.00 0.00 13 S 8.27 4.62 0.00 3.89 3.82 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 14 A 8.45 4.16 1.30 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 0.00 0.00 15 E 7.90 4.30 0.00 2.10 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 2.33 2.47 0.00 16 E 8.23 4.04 0.00 2.03 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 2.44 2.35 0.00 17 L 7.82 4.08 0.00 1.93 1.79 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.17 4.27 0.00 4.14 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 0.00 19 R 7.95 3.93 0.00 1.91 2.26 0.00 3.28 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 20 Y 8.27 3.98 0.00 3.35 2.93 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 21 Y 8.79 4.08 0.00 3.28 2.99 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 22 A 8.33 4.18 1.41 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 23 S 7.70 4.38 0.00 4.13 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 24 L 7.39 4.08 0.00 2.16 1.95 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.14 4.16 0.00 1.89 2.05 0.00 3.29 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 26 H 7.94 4.42 0.00 3.17 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.02 4.10 0.00 2.88 3.10 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 0.00 0.00 0.00 28 L 8.25 3.69 0.00 1.82 1.63 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.60 4.52 0.00 3.09 2.83 0.00 0.00 6.79 6.55 0.00 0.00 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 L 8.19 4.24 0.00 1.81 1.65 0.86 1.04 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 31 V 7.39 4.33 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 0.83 0.00 0.00 0.81 0.00 0.00 32 T 8.25 4.74 4.39 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 1.20 0.00 0.00 33 R 9.02 3.93 0.00 1.79 2.01 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 34 Q 7.75 4.42 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 35 R 8.41 5.08 0.00 1.72 1.75 0.00 2.96 0.00 0.00 2.72 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 36 Y 9.12 4.34 0.00 3.16 2.92 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