NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2864 8.1127 119.7057 56.0210 31.5892 173.5937 5 E 4.7637 8.2629 119.9126 53.2569 31.9523 173.8109 6 C 4.3912 9.6927 128.3195 59.3355 32.9456 173.5148 7 D 4.4502 8.6138 126.5291 55.9946 39.8109 175.8024 8 Y 4.3305 6.7163 119.1543 58.9259 40.7125 176.2327 9 C 3.9532 8.1640 114.2264 59.8902 30.7156 175.7924 10 G 3.9088 8.3512 106.8430 44.7927 0.0000 173.5075 11 T 4.2106 7.7765 109.8867 61.3997 70.4147 173.3534 12 D 4.8550 8.5284 122.7222 54.5137 41.6028 176.0971 13 I 4.1207 8.4880 125.3869 60.0614 38.2629 175.4665 14 E 3.8808 9.0179 128.8063 55.5352 29.6943 174.1822 15 P 4.2290 0.0000 0.0000 64.7024 31.3623 176.0248 16 G 3.8947 9.4478 108.3159 46.5907 0.0000 173.0165 17 T 4.5455 7.4683 113.2056 62.4387 72.7459 174.4996 18 G 4.1465 9.1950 108.2088 45.7158 0.0000 172.7236 19 T 4.7067 8.3022 114.1284 61.8252 72.7025 173.3555 20 M 4.7987 8.7752 125.7006 53.9684 33.3504 174.6169 21 F 4.6233 9.4318 130.5414 57.6448 41.0791 174.2671 22 V 4.4237 7.4834 126.1753 61.3600 32.4311 175.3222 23 H 4.1800 8.9198 126.0247 54.9540 29.5412 176.4262 24 K 3.8050 8.8961 123.1116 59.7875 31.8967 177.9897 25 D 4.4095 8.0619 116.2348 55.4784 39.4277 176.0020 26 G 3.5598 7.9425 107.6981 45.0671 0.0000 174.0012 27 A 4.1868 8.6604 123.3734 52.9718 19.6360 176.5648 28 T 5.0730 8.4432 115.4579 62.0563 71.7753 173.9129 29 T 4.6556 9.2265 122.3092 62.0984 72.1573 172.7060 30 H 4.9764 10.0740 125.7418 55.1464 30.1102 174.7420 31 F 5.3183 9.3514 122.6285 55.9641 41.2698 176.4573 32 C 4.4809 9.0507 116.2144 59.4924 30.8159 173.8512 33 S 4.6689 7.6380 114.4430 56.1887 66.4724 175.2452 34 S 4.7105 8.4819 119.0907 60.8408 62.8221 176.0994 35 K 3.7013 8.0760 122.8366 59.8854 31.7736 178.0855 36 C 4.3450 7.8081 114.7838 62.0738 28.2348 176.0115 37 E 2.6857 7.6719 120.3099 59.1343 29.1134 179.1311 38 N 4.2443 8.4225 116.6817 56.2137 38.3863 177.2986 39 N 4.5542 8.0862 117.5997 55.8291 38.5522 177.4948 40 A 4.2711 7.5972 122.3892 55.3309 18.4197 179.3724 41 D 4.1307 8.0094 115.7854 56.5484 40.8856 177.9515 42 L 4.3857 7.2000 116.8871 54.3752 41.9832 177.6060 43 G 3.9916 8.6641 108.1421 45.4442 0.0000 174.3717 44 R 4.2480 7.5694 118.6237 55.8143 31.0592 175.6457 45 E 4.6156 8.4521 119.8188 54.2552 31.2813 177.1255 46 A 3.4568 8.0423 126.0114 55.0599 18.4793 179.9167 47 R 3.7963 7.6224 113.8149 59.1546 30.2391 177.5275 48 N 4.4381 7.8153 113.4595 54.1550 38.8047 174.8133 49 L 4.4302 7.0156 119.5901 52.7839 42.4853 177.4626 50 E 3.9631 8.7321 124.3552 58.8363 29.6892 178.5211 51 W 4.3958 7.9262 114.8383 58.9143 28.8983 176.7702 52 T 3.9376 6.6960 117.0205 62.8939 68.3694 174.9553 53 D 4.3371 8.9227 126.3776 57.9835 40.9242 177.9296 54 T 3.7965 8.2317 114.7376 66.8563 68.6609 175.1071 55 A 3.9676 7.7508 123.0808 55.0990 18.6433 177.5924 56 R 4.1245 7.7947 118.5381 56.5470 30.1597 176.2895 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 4 R 8.11 4.29 0.00 1.88 1.89 0.00 3.00 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 E 8.26 4.76 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.53 0.00 6 C 9.69 4.39 0.00 3.07 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 7 D 8.61 4.45 0.00 2.64 2.62 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 8 Y 6.72 4.33 0.00 2.81 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 9 C 8.16 3.95 0.00 3.21 3.43 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 0.00 0.00 0.00 0.00 10 G 8.35 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 0.00 0.00 0.00 11 T 7.78 4.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 12 D 8.53 4.86 0.00 2.61 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 13 I 8.49 4.12 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.97 0.00 0.00 14 E 9.02 3.88 0.00 2.06 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 2.40 2.39 0.00 15 P 0.00 4.23 0.00 2.22 2.08 0.00 3.91 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 16 G 9.45 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.47 4.55 4.55 0.00 0.00 0.00 0.00 0.00 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 18 G 9.19 4.15 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 0.00 19 T 8.30 4.71 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 M 8.78 4.80 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.43 0.00 21 F 9.43 4.62 0.00 3.32 3.21 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 0.00 0.00 0.00 0.00 22 V 7.48 4.42 1.82 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 0.72 0.00 0.00 0.83 0.00 0.00 23 H 8.92 4.18 0.00 3.47 3.26 0.00 5.69 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 24 K 8.90 3.80 0.00 1.75 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 D 8.06 4.41 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.56 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 27 A 8.66 4.19 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 28 T 8.44 5.07 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 29 T 9.23 4.66 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 30 H 10.07 4.98 0.00 3.15 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.35 5.32 0.00 3.05 3.10 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 32 C 9.05 4.48 0.00 3.16 3.16 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 33 S 7.64 4.67 0.00 4.05 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 34 S 8.48 4.71 0.00 3.98 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 K 8.08 3.70 0.00 1.74 1.85 0.00 1.35 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.42 1.36 7.81 36 C 7.81 4.34 0.00 3.34 3.32 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 0.00 0.00 0.00 0.00 37 E 7.67 2.69 0.00 1.75 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 0.00 0.00 0.00 1.47 2.24 0.00 38 N 8.42 4.24 0.00 2.77 2.78 0.00 0.00 7.10 6.79 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 39 N 8.09 4.55 0.00 3.03 3.16 0.00 0.00 6.83 7.16 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 40 A 7.60 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.01 4.13 0.00 2.50 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 42 L 7.20 4.39 0.00 1.93 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.66 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 44 R 7.57 4.25 0.00 2.14 1.98 0.00 3.27 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.45 4.62 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 46 A 8.04 3.46 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 3.80 0.00 1.71 1.90 0.00 3.13 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 48 N 7.82 4.44 0.00 2.81 2.83 0.00 0.00 6.97 7.86 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 49 L 7.02 4.43 0.00 0.94 0.73 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.73 3.96 0.00 2.01 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 0.00 2.30 2.29 0.00 51 W 7.93 4.40 0.00 3.49 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 52 T 6.70 3.94 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 0.95 0.00 0.00 53 D 8.92 4.34 0.00 2.78 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 54 T 8.23 3.80 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 1.05 0.00 0.00 55 A 7.75 3.97 1.26 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 0.00 0.00 0.00 56 R 7.79 4.12 0.00 1.95 1.84 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00