NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3783 0.0000 0.0000 62.4013 32.7173 176.6143 2 V 2.0000 8.0188 123.8809 63.7342 31.0036 176.5918 3 H 3.7316 7.6401 119.9551 57.5747 30.6045 176.0353 4 L 4.6184 8.4437 117.1028 54.4902 41.2296 176.1932 5 W 4.4303 9.4314 121.5044 57.5840 29.4052 176.4560 6 G 4.1312 8.8713 112.3337 44.8852 0.0000 173.6406 7 T 3.9101 8.5496 112.6652 65.3021 66.8474 175.3434 8 E 4.1021 8.1310 119.5000 58.5260 29.4834 178.7223 9 E 3.6048 8.0748 119.2471 59.0049 29.4317 179.1831 10 V 3.6905 7.8008 117.5548 66.0375 31.6274 177.3362 11 A 3.9754 7.6576 119.9794 55.5937 18.1406 179.0271 12 A 3.7373 7.6478 118.7960 55.2644 18.4408 179.5281 13 W 4.3422 7.5482 125.7307 60.6904 30.9228 178.0881 14 L 3.4022 8.0706 118.6807 57.8263 41.2216 179.3913 15 E 3.8633 8.1260 118.7933 59.2328 29.2982 178.2390 16 H 4.4644 8.3119 115.4146 57.4064 28.9016 176.3926 17 L 4.2559 6.9704 118.3254 53.2871 42.2697 176.0622 18 S 3.7955 7.6972 113.6695 60.2412 60.5642 171.3809 19 L 4.8375 8.0856 116.7783 54.3022 42.6984 179.1822 20 C 3.9791 8.2844 119.1324 62.9237 28.1766 175.7741 21 E 4.0116 8.0707 114.6793 57.8615 29.2225 177.1117 22 Y 4.6883 7.9612 116.7302 57.7790 39.1704 177.2104 23 K 3.9962 8.2887 120.7241 60.4497 32.0993 177.3976 24 D 4.5355 8.4411 119.0896 56.6974 40.5148 178.1480 25 I 3.8314 7.9121 112.8062 64.8484 37.8932 178.2973 26 F 3.9697 8.6551 119.1772 59.8436 38.4131 177.6384 27 T 4.2560 7.3733 115.8916 65.1015 69.0501 176.2905 28 R 4.0789 8.3639 120.2289 59.9815 30.1883 178.8449 29 H 4.2758 8.9243 109.8378 55.6144 28.3722 175.2176 30 D 4.3869 7.8466 117.8847 55.4403 39.7289 176.3769 31 I 4.0163 7.4955 119.2236 60.8566 35.7343 177.3282 32 R 4.4399 8.0841 125.3347 55.5116 32.4698 175.8964 33 G 3.8460 9.2534 106.1775 48.5018 0.0000 175.4468 34 S 4.1540 8.0732 115.1830 60.8139 62.8865 176.7306 35 G 3.8146 7.5983 108.5110 47.7346 0.0000 174.9782 36 L 3.9355 7.7289 121.7501 57.7617 41.5506 179.7802 37 L 3.8618 7.1427 116.1990 57.1544 41.7915 177.6782 38 H 4.8398 8.2143 113.5002 54.7214 30.3984 173.6817 39 L 4.2441 8.0432 120.5508 55.2666 42.0703 176.4183 40 E 4.8042 10.1669 121.3573 53.9641 33.3839 177.2985 41 R 3.8178 8.5694 120.4957 59.9191 30.1473 178.7460 42 R 3.9317 7.9649 117.2452 59.3358 30.1859 178.4104 43 D 4.3132 8.2640 118.9595 57.5401 40.9508 179.0497 44 L 4.0336 7.8519 118.7620 57.7574 41.5604 179.5729 45 K 4.3038 8.0152 119.7806 59.0966 31.7442 179.1818 46 D 4.4233 8.5743 118.7745 56.8865 40.8734 177.9743 47 L 4.0355 7.9976 117.5047 55.3389 41.7742 177.1190 48 G 4.1624 7.7687 107.7485 45.4129 0.0000 174.8505 49 V 3.9961 7.7693 119.9848 63.3573 32.0342 176.4494 50 T 4.4099 8.4829 113.4489 61.9188 71.2172 174.5169 51 K 3.9923 8.1498 122.0810 56.0521 32.6172 177.3726 52 V 3.6823 8.5112 124.8195 66.3469 31.5556 177.8963 53 G 4.1724 8.2416 104.4644 47.8254 0.0000 174.5670 54 H 4.5097 9.1960 118.6966 58.3699 29.3032 177.1940 55 M 4.0163 7.9941 119.9317 58.4388 31.8421 178.7674 56 K 3.9502 8.5444 118.6288 59.6070 32.3598 179.1733 57 R 3.9305 7.7253 118.3415 59.5922 29.6998 178.6530 58 I 3.7537 8.3042 119.6487 64.4521 37.2766 178.2506 59 L 4.0998 8.6550 120.2470 58.2924 41.4732 179.4907 60 C 4.4052 8.9228 116.8745 62.3396 27.9119 176.1734 61 G 4.1703 7.9455 105.9553 47.0713 0.0000 175.5185 62 I 3.9698 7.5862 122.3773 64.0327 37.4512 177.9236 63 K 3.8737 8.0261 119.2107 59.3689 31.8180 178.5189 64 E 4.2585 8.5609 118.5734 56.3767 29.5655 177.1182 65 L 4.6096 8.2858 116.5405 56.0976 45.7466 178.3971 66 S 4.0849 7.8644 111.2993 61.1588 63.4378 174.1898 67 R 4.0521 7.5047 123.7065 55.6953 29.7320 176.6368 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 2.17 1.98 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 2 V 8.02 2.00 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 0.38 0.00 0.00 -0.30 0.00 0.00 3 H 7.64 3.73 0.00 3.06 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.44 4.62 0.00 1.71 1.74 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 W 9.43 4.43 0.00 3.28 3.18 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 6 G 8.87 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 0.00 0.00 0.00 0.00 7 T 8.55 3.91 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 4.10 0.00 2.08 1.93 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 2.38 2.43 0.00 9 E 8.07 3.60 0.00 2.08 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 2.24 2.08 0.00 10 V 7.80 3.69 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 1.44 0.00 0.00 1.30 0.00 0.00 11 A 7.66 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.74 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 13 W 7.55 4.34 0.00 3.22 3.63 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 14 L 8.07 3.40 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 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.13 3.86 0.00 2.02 1.97 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 2.25 2.29 0.00 16 H 8.31 4.46 0.00 3.17 3.23 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 6.97 4.26 0.00 1.32 1.35 -0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.70 3.80 0.00 3.99 3.92 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 19 L 8.09 4.84 0.00 1.53 1.69 0.61 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.28 3.98 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 8.07 4.01 0.00 1.75 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 2.07 1.50 0.00 22 Y 7.96 4.69 0.00 2.98 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 23 K 8.29 4.00 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 24 D 8.44 4.54 0.00 2.84 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 25 I 7.91 3.83 1.98 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.40 1.05 0.00 0.00 26 F 8.66 3.97 0.00 3.42 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.26 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 8.36 4.08 0.00 1.98 1.96 0.00 3.19 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 29 H 8.92 4.28 0.00 2.96 3.28 0.00 6.00 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.85 4.39 0.00 2.74 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 4.02 2.14 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.43 0.97 0.00 0.00 32 R 8.08 4.44 0.00 1.83 1.91 0.00 3.36 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 33 G 9.25 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 0.00 0.00 0.00 34 S 8.07 4.15 0.00 4.01 4.11 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 G 7.60 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 36 L 7.73 3.94 0.00 1.74 1.51 0.51 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.14 3.86 0.00 1.76 1.56 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.21 4.84 0.00 2.97 3.26 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.04 4.24 0.00 1.66 1.65 1.05 0.76 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 10.17 4.80 0.00 2.04 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 2.21 2.53 0.00 41 R 8.57 3.82 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 42 R 7.96 3.93 0.00 1.89 1.96 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 1.72 1.72 0.00 43 D 8.26 4.31 0.00 2.73 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 7.85 4.03 0.00 1.86 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.02 4.30 0.00 1.99 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 8.57 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 8.00 4.04 0.00 1.70 1.62 -0.22 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.77 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 0.00 0.00 0.00 49 V 7.77 4.00 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 0.85 0.00 0.00 0.68 0.00 0.00 50 T 8.48 4.41 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 8.15 3.99 0.00 1.58 1.64 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 52 V 8.51 3.68 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 0.92 0.00 0.00 0.94 0.00 0.00 53 G 8.24 4.17 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 0.00 54 H 9.20 4.51 0.00 3.19 3.23 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 7.99 4.02 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.23 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 8.54 3.95 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 57 R 7.73 3.93 0.00 2.03 2.03 0.00 2.93 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 58 I 8.30 3.75 2.08 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 1.31 0.54 1.31 0.00 0.00 59 L 8.66 4.10 0.00 1.81 1.77 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.92 4.41 0.00 3.02 3.01 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 61 G 7.95 4.17 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 0.00 62 I 7.59 3.97 2.12 0.00 0.00 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 2.00 1.04 0.82 0.00 0.00 63 K 8.03 3.87 0.00 1.80 1.90 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 64 E 8.56 4.26 0.00 2.04 2.22 0.00 0.00 0.00 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 2.32 0.00 65 L 8.29 4.61 0.00 1.61 1.35 0.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.86 4.08 0.00 3.89 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 67 R 7.50 4.05 0.00 1.99 1.89 0.00 3.34 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00