NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0866 8.0544 120.4150 62.7160 32.5450 174.1229 7 D 4.7711 8.7882 126.7261 52.5078 43.2482 174.5907 8 C 4.8675 8.8026 123.0262 56.8627 41.5591 175.1921 9 S 3.9655 8.1107 117.6619 61.3269 61.9756 174.6287 10 E 4.2950 8.3536 118.3455 56.4023 29.2358 174.9294 11 Y 4.4637 7.8793 115.4939 55.3077 40.5003 173.3725 12 P 5.1036 0.0000 0.0000 62.1879 32.3374 175.3823 13 K 4.5864 8.9853 117.8323 53.6742 34.6963 176.2131 14 P 4.3555 0.0000 0.0000 65.0653 31.6248 175.9903 15 A 4.7260 7.1919 120.4968 51.1469 22.2565 174.5741 16 C 5.1270 8.3668 116.4128 55.0126 44.0314 174.6672 17 T 4.3071 8.4231 112.7310 61.8838 69.5280 174.4863 18 V 4.5211 7.9780 113.5681 60.6130 32.0970 175.8488 19 E 4.3421 8.0315 116.7702 55.7212 31.1839 175.3883 20 Y 4.8461 8.3893 121.0004 56.4882 39.5218 176.0907 21 R 4.6112 8.5755 127.7131 53.6865 32.5302 172.6092 22 P 4.5901 0.0000 0.0000 62.7785 33.0310 175.7388 23 L 5.0049 8.8607 120.6920 53.1118 46.3584 174.5438 24 C 4.9704 8.7828 122.8892 54.9401 46.0883 173.6995 25 G 4.6219 8.9700 114.4064 45.2548 0.0000 174.3739 26 S 4.4505 9.0701 114.9813 59.8724 63.0544 174.6539 27 D 4.6530 8.1074 119.9010 52.9560 39.4201 176.2475 28 N 4.2602 8.2221 114.9699 54.1212 36.8681 173.2830 29 K 4.4684 8.1417 120.4015 55.0314 34.2434 175.4987 30 T 4.6348 8.3466 124.2174 63.5607 69.3003 173.4624 31 Y 4.3350 9.3118 125.4366 56.2643 39.3967 177.3395 32 G 3.7335 9.0589 113.4203 48.7493 0.0000 172.3581 33 N 5.2892 7.5783 116.7576 51.6699 40.9375 175.3610 34 K 4.0113 8.4981 119.5936 59.7063 32.0121 180.0750 35 C 4.6556 8.2180 119.6111 59.2900 38.4946 175.2152 36 N 4.3593 8.9834 118.5172 56.2148 38.1225 177.1428 37 F 3.4462 8.3201 121.9354 61.4763 39.5126 176.6095 38 C 3.7176 8.2465 116.3915 59.7655 40.7156 175.9349 39 N 4.2620 7.9944 118.0058 56.0928 38.0951 177.3543 40 A 3.8657 7.6195 122.0762 54.9084 18.4156 179.7355 41 V 3.1665 7.0888 116.8286 66.0419 31.4022 178.4954 42 V 3.5179 7.5129 117.8764 65.9686 31.1802 177.6600 43 E 3.9292 8.1670 118.2457 58.5614 29.5859 177.8509 44 S 4.4362 7.8740 112.8096 57.1575 63.3895 173.5175 45 N 4.0091 9.0375 119.8041 55.1342 37.4816 174.8244 46 G 3.9020 8.2982 102.5988 45.7256 0.0000 175.2227 47 T 4.1106 7.4097 111.0445 62.9269 69.5025 175.2595 48 L 4.2019 7.6694 124.3493 54.5925 42.7745 175.3829 49 T 4.8581 8.5675 114.7723 59.5724 72.9997 172.1706 50 L 4.2102 8.4466 123.9960 54.9276 42.1854 176.0095 51 S 4.4352 8.9959 122.7852 60.4279 62.9024 173.3501 52 H 4.4214 7.1580 112.1494 54.8920 31.0984 172.8963 53 F 4.3722 8.7907 118.0309 58.0331 39.6401 176.5338 54 G 3.9045 8.4595 110.4489 44.3404 0.0000 173.3724 55 K 4.1958 8.0947 117.1997 56.3440 32.6554 178.2019 56 C 4.5154 8.7191 118.0514 57.4706 41.0964 173.8451 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 6 V 8.05 4.09 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 1.02 0.00 0.00 1.03 0.00 0.00 7 D 8.79 4.77 0.00 2.74 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 8 C 8.80 4.87 0.00 2.93 2.85 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 9 S 8.11 3.97 0.00 3.97 4.05 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 10 E 8.35 4.30 0.00 1.99 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 2.09 2.26 0.00 11 Y 7.88 4.46 0.00 3.28 2.86 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 12 P 0.00 5.10 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 13 K 8.99 4.59 0.00 1.74 1.62 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.51 7.81 14 P 0.00 4.36 0.00 2.17 2.18 0.00 3.72 0.00 0.00 3.62 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 15 A 7.19 4.73 1.29 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 0.00 0.00 0.00 16 C 8.37 5.13 0.00 2.98 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 17 T 8.42 4.31 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 1.24 0.00 0.00 18 V 7.98 4.52 2.13 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 0.84 0.00 0.00 0.96 0.00 0.00 19 E 8.03 4.34 0.00 2.13 1.99 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 2.30 2.27 0.00 20 Y 8.39 4.85 0.00 2.87 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 R 8.58 4.61 0.00 1.66 1.72 0.00 3.19 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 22 P 0.00 4.59 0.00 1.96 1.68 0.00 3.33 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 23 L 8.86 5.00 0.00 1.37 1.07 0.54 0.99 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 24 C 8.78 4.97 0.00 2.88 2.58 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 25 G 8.97 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.45 0.00 4.00 4.02 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 27 D 8.11 4.65 0.00 2.84 2.86 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 28 N 8.22 4.26 0.00 2.93 2.98 0.00 0.00 6.73 6.92 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 29 K 8.14 4.47 0.00 1.76 1.69 0.00 1.45 0.00 0.00 1.23 0.00 0.00 2.32 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.63 1.14 7.81 30 T 8.35 4.63 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 1.25 0.00 0.00 31 Y 9.31 4.34 0.00 3.05 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 32 G 9.06 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 5.29 0.00 2.99 3.07 0.00 0.00 6.74 7.05 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 34 K 8.50 4.01 0.00 1.89 1.95 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.53 7.81 35 C 8.22 4.66 0.00 3.16 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.36 0.00 3.15 3.09 0.00 0.00 6.69 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 37 F 8.32 3.45 0.00 3.00 3.06 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 38 C 8.25 3.72 0.00 1.59 1.60 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 0.00 39 N 7.99 4.26 0.00 2.99 2.88 0.00 0.00 6.85 7.27 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 40 A 7.62 3.87 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 0.00 0.00 0.00 0.00 0.00 41 V 7.09 3.17 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 0.79 0.00 0.00 0.01 0.00 0.00 42 V 7.51 3.52 2.20 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 1.02 0.00 0.00 0.99 0.00 0.00 43 E 8.17 3.93 0.00 2.06 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 0.00 2.31 2.31 0.00 44 S 7.87 4.44 0.00 4.05 4.08 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 45 N 9.04 4.01 0.00 2.81 2.88 0.00 0.00 7.17 8.82 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 46 G 8.30 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.41 4.11 4.22 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 0.00 0.00 1.23 0.00 0.00 48 L 7.67 4.20 0.00 1.52 1.38 1.04 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.57 4.86 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 L 8.45 4.21 0.00 1.32 1.41 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.00 4.44 0.00 3.85 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 52 H 7.16 4.42 0.00 3.21 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.79 4.37 0.00 3.05 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 54 G 8.46 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.09 4.20 0.00 1.81 1.81 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.54 7.81 56 C 8.72 4.52 0.00 2.96 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