NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2423 8.1801 120.9910 55.5766 41.8002 175.3774 2 A 4.4746 8.3239 122.3768 49.9518 20.7620 174.5475 3 A 4.7862 8.4740 124.0456 50.3475 23.6063 173.4424 4 V 4.4352 8.2889 118.6171 61.1914 33.3641 174.6918 5 S 4.7645 8.4760 120.1804 57.0201 66.1893 172.8638 6 V 4.4379 8.0944 118.6482 61.1380 33.9093 173.6910 7 D 4.7526 8.8702 126.6861 53.6373 41.4841 176.3313 8 C 5.1021 8.5983 123.6931 56.8983 40.9503 176.0417 9 S 4.0919 8.8924 119.5771 61.8809 62.4054 175.2728 10 E 4.4117 8.2097 117.0761 56.3808 29.2319 175.3682 11 Y 4.6430 7.3238 115.8944 55.1694 40.8260 174.0867 12 P 4.7482 0.0000 0.0000 62.5406 31.9300 175.7424 13 K 4.6493 8.3563 117.9830 53.7739 35.2018 176.0122 14 P 4.3868 0.0000 0.0000 65.2621 31.6131 176.1091 15 A 4.7405 7.2961 116.3295 50.9098 22.2611 174.3516 16 C 5.1889 8.3395 116.2076 54.1516 43.6893 172.6773 17 P 4.5590 0.0000 0.0000 63.1650 31.4679 176.3502 18 K 4.5957 8.3132 117.1800 56.2958 32.3158 176.6680 19 D 4.4303 8.1035 119.0430 54.8938 41.0804 176.0228 20 Y 4.7988 8.4518 124.7265 56.2525 38.6628 174.7952 21 R 4.6143 8.3885 126.7596 52.9861 30.4727 172.8467 22 P 4.8429 0.0000 0.0000 62.9801 33.2275 177.0140 23 V 4.5718 8.9878 114.2369 59.7386 36.1997 173.7571 24 C 5.0011 8.9250 124.8221 54.8864 42.0110 173.6362 25 G 4.5609 9.2525 114.9284 45.8410 0.0000 173.9187 26 S 4.5070 9.0452 114.5583 59.3519 63.1261 174.5309 27 D 4.6468 8.1482 120.0427 52.9701 39.3851 175.7242 28 N 4.1983 7.9761 115.2858 54.3635 36.9305 173.3410 29 K 4.5159 8.1774 118.7363 54.8525 34.6639 174.5973 30 T 4.8037 8.2979 121.8200 61.2863 68.8645 173.0204 31 Y 4.6896 8.8815 127.1228 56.0074 39.7592 177.1708 32 S 4.4872 9.0836 119.8980 60.9309 63.5977 173.2711 33 N 5.5277 7.6887 118.6319 51.7315 40.6103 174.7924 34 K 3.9562 8.5526 120.8116 59.8505 32.0314 178.9838 35 C 4.2651 8.2924 118.3017 59.7871 37.8989 175.1894 36 N 4.3469 8.5188 118.1533 55.9682 38.0543 177.3096 37 F 3.4116 8.3068 122.1371 61.4733 39.5401 176.7624 38 C 3.8012 8.2260 116.2360 59.4707 39.4888 175.9284 39 N 4.2410 7.6266 117.6260 56.0992 38.0344 176.9424 40 A 4.0239 7.4810 121.7740 54.8955 18.4333 179.8211 41 V 3.2160 7.4043 117.1113 66.1402 31.3925 178.4534 42 V 3.7792 7.4026 109.3554 62.8565 31.5531 177.1378 43 E 4.4955 7.5102 116.8365 56.2622 30.2913 176.8316 44 S 4.4519 7.8618 114.5790 57.4484 63.2228 173.9695 45 N 4.2484 9.1242 117.8695 54.4828 35.8441 175.2675 46 G 3.9973 8.4416 107.3315 45.5245 0.0000 175.5467 47 T 3.9854 7.6294 109.0415 63.0451 69.1931 174.3178 48 L 4.6213 7.7119 124.1688 53.2326 43.8724 174.7973 49 T 4.8320 8.2500 115.7465 59.8183 72.6814 171.7854 50 L 4.2622 8.5693 123.1482 55.2926 42.3470 175.9742 51 N 4.7282 8.8905 126.3883 55.3315 39.4477 174.2784 52 H 4.7483 7.2090 111.5867 54.1927 32.1644 172.1755 53 F 4.2294 8.4878 118.0205 58.4960 39.3616 176.0186 54 G 3.9942 8.6761 110.2042 44.4740 0.0000 173.2799 55 K 4.0821 8.1196 120.0227 55.9650 32.8475 177.4337 56 C 4.4961 8.7495 121.6937 57.4935 41.0812 173.6025 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 L 8.18 4.24 0.00 1.78 1.75 0.93 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.32 4.47 1.28 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 0.00 0.00 0.00 3 A 8.47 4.79 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 4.44 2.16 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 1.20 0.00 0.00 0.98 0.00 0.00 5 S 8.48 4.76 0.00 4.01 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.44 2.21 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 0.95 0.00 0.00 0.90 0.00 0.00 7 D 8.87 4.75 0.00 2.71 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 8 C 8.60 5.10 0.00 2.97 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 9 S 8.89 4.09 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.41 0.00 1.64 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 11 Y 7.32 4.64 0.00 3.05 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 12 P 0.00 4.75 0.00 2.21 2.09 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 8.36 4.65 0.00 1.88 1.80 0.00 1.42 0.00 0.00 1.75 0.00 0.00 2.64 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.21 1.03 7.81 14 P 0.00 4.39 0.00 2.18 2.19 0.00 3.75 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 1.98 1.96 0.00 15 A 7.30 4.74 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 0.00 0.00 0.00 0.00 0.00 16 C 8.34 5.19 0.00 3.00 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 17 P 0.00 4.56 0.00 2.09 2.04 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 18 K 8.31 4.60 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.46 7.81 19 D 8.10 4.43 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.80 0.00 2.86 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 21 R 8.39 4.61 0.00 1.74 1.74 0.00 3.16 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 22 P 0.00 4.84 0.00 2.05 1.93 0.00 3.25 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.93 0.00 23 V 8.99 4.57 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.44 0.00 0.00 24 C 8.93 5.00 0.00 2.85 2.57 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 0.00 0.00 0.00 0.00 25 G 9.25 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.05 4.51 0.00 3.99 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 27 D 8.15 4.65 0.00 2.86 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 28 N 7.98 4.20 0.00 2.90 2.92 0.00 0.00 6.67 7.72 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 29 K 8.18 4.52 0.00 1.76 1.86 0.00 0.75 0.00 0.00 0.66 0.00 0.00 2.61 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 1.35 7.81 30 T 8.30 4.80 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 1.22 0.00 0.00 31 Y 8.88 4.69 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.08 4.49 0.00 4.25 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 0.00 33 N 7.69 5.53 0.00 3.01 3.10 0.00 0.00 6.36 7.00 0.00 0.00 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 K 8.55 3.96 0.00 1.93 1.93 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.54 1.53 7.81 35 C 8.29 4.27 0.00 3.23 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.35 0.00 3.20 3.07 0.00 0.00 6.69 8.16 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 37 F 8.31 3.41 0.00 2.84 3.03 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 38 C 8.23 3.80 0.00 1.64 2.14 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 39 N 7.63 4.24 0.00 2.91 2.89 0.00 0.00 6.97 7.50 0.00 0.00 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 A 7.48 4.02 1.13 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 0.00 0.00 41 V 7.40 3.22 1.61 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 0.77 0.00 0.00 -0.24 0.00 0.00 42 V 7.40 3.78 2.06 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 0.82 0.00 0.00 1.06 0.00 0.00 43 E 7.51 4.50 0.00 2.02 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 2.25 2.41 0.00 44 S 7.86 4.45 0.00 4.00 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 45 N 9.12 4.25 0.00 2.84 2.91 0.00 0.00 7.24 7.65 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 46 G 8.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 3.99 4.23 0.00 0.00 0.00 0.00 0.00 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 48 L 7.71 4.62 0.00 1.52 1.43 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.25 4.83 4.27 0.00 0.00 0.00 0.00 0.00 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 50 L 8.57 4.26 0.00 1.58 1.52 0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.89 4.73 0.00 2.82 2.83 0.00 0.00 7.03 8.46 0.00 0.00 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 H 7.21 4.75 0.00 3.22 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.49 4.23 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 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 55 K 8.12 4.08 0.00 1.79 1.77 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 56 C 8.75 4.50 0.00 2.99 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