NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3777 0.0000 0.0000 62.2256 32.2150 175.8235 2 V 2.0000 7.7183 119.5238 65.2222 32.1743 176.2774 3 H 3.8040 7.5211 118.6959 59.2671 31.2761 176.0284 4 L 4.4195 7.2910 116.7173 55.1505 40.7481 176.2141 5 W 4.4867 8.3904 120.7786 57.4211 29.2269 176.3268 6 G 4.1033 8.8940 112.2980 45.1266 0.0000 173.4753 7 T 3.8558 8.5851 113.0934 65.2234 66.8903 175.2145 8 E 4.0736 8.1319 120.1253 58.3625 29.4290 178.2485 9 E 3.5817 8.2308 119.4672 58.9920 29.4068 179.1161 10 V 3.6732 7.7928 117.5584 66.0229 31.6779 177.3417 11 A 3.9641 7.6600 120.4197 55.5823 18.1417 178.9728 12 A 3.7282 7.5976 118.7684 55.3090 18.3901 179.4819 13 W 4.3311 7.4861 125.4597 60.6914 30.9408 178.0977 14 L 3.3940 8.0642 118.6259 57.8063 41.1363 179.3713 15 E 4.0759 8.0931 118.7529 59.2954 29.2654 178.3399 16 H 4.4208 8.2364 115.6601 57.5755 28.8704 176.4542 17 L 4.2033 6.9408 118.1282 53.2970 42.2069 176.1436 18 S 3.7755 7.7078 113.9296 60.2176 60.7171 171.6288 19 L 4.8516 7.9845 116.3960 54.2514 42.8261 179.1973 20 C 4.0237 8.2821 118.9676 62.9000 28.2037 175.8003 21 E 4.0554 8.0514 114.9405 57.8192 29.3412 177.1226 22 Y 4.6712 7.8654 116.7753 57.9831 39.1710 177.2638 23 K 3.9816 7.9265 119.4342 60.5047 32.4292 177.3983 24 D 4.3663 8.5359 118.6269 56.3722 40.4252 178.1387 25 I 3.8195 8.0179 113.2902 65.0134 37.8541 178.2411 26 F 3.9024 8.6087 118.9631 59.6362 38.4130 177.6223 27 T 4.2135 8.1261 116.2973 65.1510 69.1296 176.1443 28 R 4.0621 8.0824 119.2600 60.0929 30.2045 179.0731 29 H 4.2323 9.0125 109.8487 55.7093 28.2104 175.3038 30 D 4.3767 8.1902 117.9312 55.3588 39.7932 176.2080 31 I 3.9846 7.4994 119.3443 61.0818 35.7086 177.3443 32 R 4.5285 8.1585 125.1716 55.4485 32.4410 176.0938 33 G 3.9354 9.2923 106.0750 48.6046 0.0000 175.5282 34 S 4.1271 8.3602 115.4093 60.8616 62.9329 176.8346 35 G 3.8735 7.5579 108.6185 47.5757 0.0000 174.9551 36 L 3.9360 7.6341 121.0980 57.7931 41.5539 179.7533 37 L 3.8553 7.2962 116.2361 57.1461 41.7564 177.6736 38 H 4.8345 8.1762 113.5152 54.7231 30.4306 173.6327 39 L 4.2409 8.0310 120.5754 55.2539 42.0665 176.4773 40 E 4.7926 10.1246 121.6480 54.1235 33.1574 177.4363 41 R 3.8052 8.5193 121.0187 59.8051 30.2763 178.8078 42 R 3.9134 7.9726 117.3193 59.3199 30.0991 178.3009 43 D 4.3392 8.2316 118.9766 57.6566 40.9652 179.2000 44 L 3.9307 7.8407 118.5931 57.7536 41.5726 179.5771 45 K 4.3180 7.9518 119.7923 59.1190 31.7506 179.1857 46 D 4.4170 8.5558 118.6843 56.8704 40.8717 177.9364 47 L 4.0765 8.1382 117.5433 55.2425 41.7561 176.7526 48 G 4.1965 7.7871 107.8032 45.5309 0.0000 174.9852 49 V 4.0112 7.7052 119.3171 63.4309 32.0381 176.4461 50 T 4.3361 8.4360 112.8432 61.6850 71.3537 174.1627 51 K 4.0092 8.2556 123.0042 56.3444 32.5642 177.1929 52 V 3.6110 8.3341 126.7343 66.1927 31.6396 177.6994 53 G 3.9659 8.2100 104.5137 47.3000 0.0000 174.1316 54 H 4.6036 9.2219 118.5359 58.1234 29.6127 176.9370 55 M 4.0458 7.9707 119.8596 58.4356 31.8522 178.6668 56 K 4.0283 8.6207 118.6320 59.6857 32.0802 179.1925 57 R 3.9427 7.4054 117.3218 59.5069 30.2878 178.4212 58 I 3.9416 8.3848 120.0745 64.4742 37.1513 178.1289 59 L 4.0778 8.7167 120.8070 58.4616 41.4459 179.6171 60 C 4.3977 8.9250 116.7052 62.4034 27.8716 176.2565 61 G 4.0403 7.9867 106.4313 47.5219 0.0000 175.5967 62 I 3.8946 7.7214 122.0263 64.2043 37.2510 178.4549 63 K 4.0099 7.9316 118.1880 59.0194 32.1052 178.1809 64 E 4.6024 8.5475 116.8641 56.5040 29.2133 176.0942 65 L 4.5991 7.6713 115.6074 56.1830 43.9764 178.0214 66 S 4.0640 8.0410 113.0054 61.4308 62.3567 176.0361 67 R 3.7053 7.3206 122.9010 55.8579 30.4749 177.7733 68 S 4.5583 7.9701 120.0975 58.4221 62.1006 171.0193 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 P 0.00 4.38 0.00 2.24 2.27 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 2 V 7.72 2.00 1.72 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 0.28 0.00 0.00 0.53 0.00 0.00 3 H 7.52 3.80 0.00 3.10 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.29 4.42 0.00 1.85 1.72 1.02 1.36 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 5 W 8.39 4.49 0.00 3.47 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 6 G 8.89 4.10 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 0.00 0.00 0.00 7 T 8.59 3.86 4.29 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 1.24 0.00 0.00 8 E 8.13 4.07 0.00 2.11 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 2.35 2.43 0.00 9 E 8.23 3.58 0.00 2.14 1.12 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 2.28 2.08 0.00 10 V 7.79 3.67 2.43 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 1.41 0.00 0.00 1.37 0.00 0.00 11 A 7.66 3.96 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 0.00 0.00 0.00 0.00 0.00 12 A 7.60 3.73 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 4.33 0.00 3.23 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 14 L 8.06 3.39 0.00 1.83 1.67 0.44 0.39 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 15 E 8.09 4.08 0.00 1.96 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 2.25 2.29 0.00 16 H 8.24 4.42 0.00 3.15 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.94 4.20 0.00 1.31 1.34 -0.48 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.71 3.78 0.00 3.97 3.91 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 0.00 0.00 0.00 19 L 7.98 4.85 0.00 1.51 1.70 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.28 4.02 0.00 2.92 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 21 E 8.05 4.06 0.00 1.74 1.89 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 2.06 1.47 0.00 22 Y 7.87 4.67 0.00 3.04 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 23 K 7.93 3.98 0.00 1.84 1.94 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 24 D 8.54 4.37 0.00 2.83 2.63 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 0.00 0.00 0.00 0.00 25 I 8.02 3.82 2.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.41 1.09 0.00 0.00 26 F 8.61 3.90 0.00 3.40 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 27 T 8.13 4.21 4.60 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 1.26 0.00 0.00 28 R 8.08 4.06 0.00 2.03 1.96 0.00 3.20 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 29 H 9.01 4.23 0.00 2.98 3.29 0.00 5.99 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.19 4.38 0.00 2.68 2.65 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 31 I 7.50 3.98 2.14 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 1.30 0.43 0.96 0.00 0.00 32 R 8.16 4.53 0.00 1.85 1.93 0.00 3.38 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 33 G 9.29 3.94 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 0.00 0.00 0.00 34 S 8.36 4.13 0.00 4.00 4.14 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 35 G 7.56 3.87 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 0.00 0.00 0.00 36 L 7.63 3.94 0.00 1.71 1.49 0.60 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.30 3.86 0.00 1.76 1.54 0.70 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.18 4.83 0.00 2.96 3.25 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.03 4.24 0.00 1.65 1.63 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 E 10.12 4.79 0.00 2.03 1.79 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 2.20 2.52 0.00 41 R 8.52 3.81 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 42 R 7.97 3.91 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 43 D 8.23 4.34 0.00 2.77 2.67 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 44 L 7.84 3.93 0.00 1.85 1.74 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.95 4.32 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 46 D 8.56 4.42 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.14 4.08 0.00 1.57 1.61 -0.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.79 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 49 V 7.71 4.01 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 0.86 0.00 0.00 0.58 0.00 0.00 50 T 8.44 4.34 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 1.32 0.00 0.00 51 K 8.26 4.01 0.00 1.81 1.52 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.45 7.81 52 V 8.33 3.61 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 1.00 0.00 0.00 0.94 0.00 0.00 53 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.22 4.60 0.00 3.44 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 7.97 4.05 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 56 K 8.62 4.03 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.62 7.81 57 R 7.41 3.94 0.00 1.91 2.06 0.00 3.11 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 1.51 1.62 0.00 58 I 8.38 3.94 2.11 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 1.29 0.00 0.00 59 L 8.72 4.08 0.00 1.82 1.78 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.92 4.40 0.00 3.01 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 61 G 7.99 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 0.00 0.00 0.00 62 I 7.72 3.89 2.11 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.97 0.80 0.00 0.00 63 K 7.93 4.01 0.00 1.84 1.87 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.39 7.81 64 E 8.55 4.60 0.00 2.00 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 2.32 0.00 65 L 7.67 4.60 0.00 1.74 1.41 0.24 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.04 4.06 0.00 3.93 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 67 R 7.32 3.71 0.00 1.95 1.92 0.00 3.14 0.00 0.00 3.26 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 68 S 7.97 4.56 0.00 3.70 4.03 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