NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1373 8.2549 117.2602 54.8284 30.8347 175.1602 2 P 4.0579 0.0000 0.0000 62.3658 32.0756 175.9883 3 D 4.3397 8.4162 120.9445 57.3575 41.6848 178.6832 4 F 4.3976 8.0187 114.4046 59.6265 37.5827 177.4884 5 C 4.7217 7.3233 116.0657 58.7423 40.0392 174.6063 6 L 4.2292 7.8730 119.5774 54.5907 42.1162 176.8582 7 E 4.2052 7.5389 119.2400 55.4201 30.0414 175.0577 8 P 4.5808 0.0000 0.0000 61.1176 32.5453 174.3552 9 P 3.6247 0.0000 0.0000 62.7611 31.3608 175.2883 10 Y 4.6501 7.8293 120.5307 56.0939 40.7051 175.3492 11 T 4.1724 8.3350 125.3526 64.6789 68.9138 176.2708 12 G 3.7236 6.7175 105.3345 44.0139 0.0000 171.4868 13 P 4.2601 0.0000 0.0000 65.1111 31.5684 177.5799 14 C 4.4855 7.8849 116.0384 56.8318 40.6439 173.1718 15 K 4.0945 8.1777 117.8321 56.6997 33.0163 176.2397 16 A 4.1850 7.8386 122.8440 52.1110 19.9645 177.2444 17 R 4.7665 8.1233 117.0030 54.2008 30.5027 174.3501 18 I 4.4849 8.4274 122.7409 59.2391 40.3920 174.7979 19 I 4.3591 8.1280 126.3604 61.0223 38.2268 175.2302 20 R 4.6333 8.2996 124.0933 54.8567 35.1536 173.3195 21 Y 5.6903 9.2460 117.3691 56.6933 41.4226 175.2961 22 F 5.7283 9.3986 115.8666 55.6984 42.1322 172.6287 23 Y 4.4785 9.6355 122.5159 57.0931 40.2074 174.0436 24 N 4.6944 8.5860 126.4798 51.4602 38.4365 174.7555 25 A 3.7914 8.4435 128.8087 55.0438 18.7468 178.8149 26 K 3.9442 8.2383 113.3016 59.3619 32.1040 177.8722 27 A 4.1969 7.7799 119.0639 51.4842 19.4370 176.8604 28 G 3.9912 7.5247 103.8055 45.2278 0.0000 173.1233 29 L 4.5870 6.6278 117.8327 53.7087 46.0764 174.8533 30 C 5.0295 8.6297 120.8093 56.2440 42.3335 172.7570 31 Q 4.8241 8.6325 121.1120 54.4094 33.3208 174.3117 32 T 5.0979 8.5099 110.5936 61.4088 70.8502 173.7003 33 F 4.8952 8.5903 115.5730 56.1308 41.7522 173.0401 34 V 4.2933 8.3679 120.3070 61.9709 32.3110 174.2781 35 Y 4.6838 8.9264 130.5690 56.3509 40.1786 176.3954 36 G 3.8131 8.7678 113.4549 46.8462 0.0000 175.0398 37 G 3.8579 6.7184 107.0081 45.2587 0.0000 172.1092 38 C 4.8234 7.2404 111.8327 54.9902 44.2809 173.0427 39 R 3.7854 8.7633 116.0404 57.1416 27.2470 176.9376 40 A 4.3486 8.2773 118.4778 52.4007 19.1826 177.8651 41 K 4.4569 8.1624 119.8888 54.4020 34.5718 177.0396 42 R 3.4744 8.1764 118.1733 59.3453 30.1869 177.6566 43 N 4.8942 7.6162 117.3602 51.6287 36.6407 174.2155 44 N 5.0838 7.0660 117.3019 52.8041 41.7958 173.4607 45 F 4.9668 9.6152 126.2320 55.5282 41.5847 177.0446 46 K 4.0525 9.2268 124.6591 58.3144 32.8167 177.2314 47 S 4.7971 8.0299 112.6108 55.8932 65.2980 174.1895 48 A 3.2220 7.9132 130.6271 54.9172 18.2687 179.0607 49 E 3.7520 7.9954 117.2748 59.8300 29.6030 178.8232 50 D 4.3208 7.9417 118.2751 57.1397 40.7321 177.9238 51 C 2.4500 7.6022 119.1206 59.3817 44.8793 175.6875 52 M 3.7205 7.8264 118.3960 58.0685 30.4863 178.3916 53 R 3.8399 7.4403 118.9061 59.3305 30.3548 178.1955 54 T 4.0580 7.6605 114.6847 66.0474 68.6898 175.4611 55 C 4.4440 7.8894 116.1247 56.9755 41.6843 174.2090 56 G 3.5817 7.5967 113.7604 45.5486 0.0000 173.2737 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 R 8.25 4.14 0.00 1.64 1.80 0.00 2.96 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 2 P 0.00 4.06 0.00 1.09 1.70 0.00 3.29 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 3 D 8.42 4.34 0.00 2.76 2.74 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 4 F 8.02 4.40 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.32 4.72 0.00 2.86 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.23 0.00 1.82 1.76 1.01 0.83 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 7 E 7.54 4.21 0.00 2.11 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 2.39 2.45 0.00 8 P 0.00 4.58 0.00 2.10 2.03 0.00 3.78 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 1.97 1.94 0.00 9 P 0.00 3.62 0.00 0.75 0.49 0.00 3.33 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 10 Y 7.83 4.65 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.33 4.17 4.12 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 0.00 0.00 1.17 0.00 0.00 12 G 6.72 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 13 P 0.00 4.26 0.00 2.18 2.20 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.88 4.49 0.00 2.84 2.98 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 15 K 8.18 4.09 0.00 1.77 1.84 0.00 1.40 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.42 7.81 16 A 7.84 4.18 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.12 4.77 0.00 1.59 1.76 0.00 3.14 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 18 I 8.43 4.48 1.85 0.00 0.00 0.77 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 0.80 0.92 0.00 0.00 19 I 8.13 4.36 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.60 0.00 0.00 20 R 8.30 4.63 0.00 0.86 1.85 0.00 3.40 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 21 Y 9.25 5.69 0.00 3.24 3.05 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 22 F 9.40 5.73 0.00 3.03 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 23 Y 9.64 4.48 0.00 3.13 3.15 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 24 N 8.59 4.69 0.00 2.20 2.42 0.00 0.00 6.65 8.32 0.00 0.00 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 A 8.44 3.79 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.24 3.94 0.00 1.92 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 27 A 7.78 4.20 1.15 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 28 G 7.52 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 29 L 6.63 4.59 0.00 1.64 1.30 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 5.03 0.00 2.89 3.07 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 0.00 0.00 0.00 31 Q 8.63 4.82 0.00 1.54 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 32 T 8.51 5.10 4.13 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 0.00 0.00 1.13 0.00 0.00 33 F 8.59 4.90 0.00 3.01 3.05 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 34 V 8.37 4.29 2.05 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 0.69 0.00 0.00 0.88 0.00 0.00 35 Y 8.93 4.68 0.00 2.52 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.72 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 0.00 0.00 0.00 38 C 7.24 4.82 0.00 3.06 2.97 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 39 R 8.76 3.79 0.00 2.12 2.31 0.00 3.32 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 40 A 8.28 4.35 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 4.46 0.00 1.72 1.66 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.09 1.09 7.81 42 R 8.18 3.47 0.00 1.37 0.66 0.00 2.78 0.00 0.00 2.88 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.00 43 N 7.62 4.89 0.00 3.22 2.85 0.00 0.00 6.95 7.67 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 44 N 7.07 5.08 0.00 2.72 2.55 0.00 0.00 7.10 7.02 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 45 F 9.62 4.97 0.00 3.23 3.13 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 0.00 0.00 0.00 46 K 9.23 4.05 0.00 1.79 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 47 S 8.03 4.80 0.00 3.93 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 48 A 7.91 3.22 0.51 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 0.00 0.00 49 E 8.00 3.75 0.00 1.96 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 2.33 2.36 0.00 50 D 7.94 4.32 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.60 2.45 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.83 3.72 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 53 R 7.44 3.84 0.00 1.87 1.90 0.00 3.23 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 1.59 1.61 0.00 54 T 7.66 4.06 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 1.49 0.00 0.00 55 C 7.89 4.44 0.00 2.63 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 0.00 0.00 0.00 56 G 7.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00