NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2975 8.1127 119.7052 56.0272 31.5889 173.6810 5 E 4.8102 8.2320 119.5904 53.1306 32.5076 173.5424 6 C 4.1506 9.6318 127.8257 59.7161 32.5609 173.4638 7 D 4.4124 8.4448 125.9303 55.8939 39.6993 175.7201 8 Y 4.4649 7.1927 117.9625 58.8204 41.6950 176.3086 9 C 3.9715 8.0839 114.2709 59.4533 30.7406 175.5648 10 G 3.9387 8.3564 107.5254 45.0676 0.0000 173.6226 11 T 4.2957 7.7086 109.5617 61.4728 70.3442 173.3780 12 D 4.8872 8.5132 122.5965 54.4598 41.6785 176.2294 13 I 4.1136 8.3150 124.9669 60.1303 37.6814 175.7408 14 E 3.8958 8.9968 128.8154 55.5943 29.8064 174.8897 15 P 4.2883 0.0000 0.0000 64.2936 31.6603 175.5968 16 G 3.8717 9.3321 106.2190 46.5488 0.0000 173.2961 17 T 4.4323 7.9162 113.1171 63.0028 72.5573 174.4749 18 G 4.1460 8.9958 108.3478 45.8397 0.0000 172.5875 19 T 4.8399 8.4911 114.0086 61.7090 72.8469 173.0827 20 M 5.1076 8.7149 123.3958 53.8795 34.7565 174.3227 21 F 4.8201 9.3010 129.5994 56.8108 41.2735 174.4900 22 V 4.1754 7.7247 126.8047 61.9817 32.3398 175.6061 23 H 4.2069 9.0290 125.9297 54.7515 29.6824 176.5321 24 K 3.8726 8.7460 121.7854 59.8115 31.8771 177.8422 25 D 4.4157 7.9728 115.8488 54.2055 39.5366 176.3712 26 G 3.8904 7.7862 106.5737 45.3597 0.0000 174.1601 27 A 4.2490 9.7189 122.9846 52.8308 19.6090 176.5968 28 T 5.0956 8.3314 114.4298 62.1877 72.5788 174.2698 29 T 4.6236 8.6053 120.5035 62.3926 72.7574 172.7195 30 H 4.9747 9.8582 125.2996 55.1174 30.4397 174.6811 31 F 5.3187 9.5268 122.0631 55.8990 41.5492 176.3466 32 C 4.3740 9.1899 117.2349 60.2678 30.3466 173.4606 33 S 4.6052 7.5982 114.3674 56.3149 66.4148 175.2833 34 S 4.7398 8.4042 117.6208 60.9139 62.8852 175.8272 35 K 3.6964 8.1062 123.1320 59.5897 31.6118 178.1117 36 C 4.2229 7.8375 115.2760 62.9039 28.1871 175.5022 37 E 2.5525 7.3969 120.1561 59.3724 28.8665 179.4953 38 N 4.1549 8.4652 116.2421 56.4644 38.3166 177.3194 39 N 4.3834 8.2155 117.4961 55.9678 38.4716 177.4737 40 A 4.0426 7.7641 122.5856 55.3870 18.3651 179.4464 41 D 4.0124 7.8831 115.8264 57.0221 40.9039 178.3045 42 L 4.3032 7.3618 117.7230 54.9170 41.8596 177.7626 43 G 3.9747 8.6275 108.0983 45.4627 0.0000 174.0040 44 R 4.2991 7.5069 118.0275 55.5197 31.1309 175.6912 45 E 4.5556 8.5284 120.3455 54.3950 31.3292 176.8411 46 A 3.5416 8.1756 126.7328 55.3211 18.3467 179.7350 47 R 3.8201 7.6973 113.2199 58.8882 30.1819 177.1352 48 N 4.5448 8.2130 113.3820 53.0163 39.1035 174.7164 49 L 4.5033 7.3150 120.3287 52.6794 42.0868 177.0835 50 E 3.9264 8.8450 124.8102 58.7005 29.5407 178.6458 51 W 4.4586 7.7202 114.0072 58.0581 29.0808 176.6848 52 T 3.7098 7.0863 118.1003 62.9712 68.2842 175.0225 53 D 4.3341 8.8036 126.4136 57.9135 40.8216 177.9094 54 T 3.7512 7.7057 114.8130 66.7198 68.7938 174.9985 55 A 3.9999 7.7876 123.6775 55.3669 18.6570 177.6170 56 R 4.0803 8.0166 118.4758 56.5759 30.0436 176.4414 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 4.30 0.00 1.88 1.89 0.00 3.01 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.23 4.81 0.00 1.94 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 6 C 9.63 4.15 0.00 3.09 2.89 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 7 D 8.44 4.41 0.00 2.68 2.63 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 8 Y 7.19 4.46 0.00 2.90 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 C 8.08 3.97 0.00 3.10 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.94 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 0.00 0.00 0.00 11 T 7.71 4.30 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 1.32 0.00 0.00 12 D 8.51 4.89 0.00 2.61 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 13 I 8.31 4.11 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.97 0.00 0.00 14 E 9.00 3.90 0.00 1.93 1.92 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 2.32 2.40 0.00 15 P 0.00 4.29 0.00 2.23 2.07 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.33 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 0.00 0.00 0.00 17 T 7.92 4.43 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 1.25 0.00 0.00 18 G 9.00 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 8.49 4.84 4.50 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 0.00 0.00 0.00 1.31 0.00 0.00 20 M 8.71 5.11 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.40 0.00 21 F 9.30 4.82 0.00 3.33 3.20 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 0.00 0.00 0.00 0.00 22 V 7.72 4.18 1.83 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 0.72 0.00 0.00 0.83 0.00 0.00 23 H 9.03 4.21 0.00 3.28 3.26 0.00 5.68 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 24 K 8.75 3.87 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.97 4.42 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 7.79 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 27 A 9.72 4.25 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 T 8.33 5.10 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 1.19 0.00 0.00 29 T 8.61 4.62 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 30 H 9.86 4.97 0.00 3.05 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.53 5.32 0.00 2.97 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 C 9.19 4.37 0.00 3.17 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 7.60 4.61 0.00 4.05 4.04 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 34 S 8.40 4.74 0.00 3.98 4.10 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 35 K 8.11 3.70 0.00 1.75 1.86 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.36 1.35 7.81 36 C 7.84 4.22 0.00 3.26 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 37 E 7.40 2.55 0.00 1.63 1.27 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 1.47 2.18 0.00 38 N 8.47 4.15 0.00 2.65 2.78 0.00 0.00 7.12 7.58 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 39 N 8.22 4.38 0.00 3.15 3.15 0.00 0.00 6.95 6.87 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 40 A 7.76 4.04 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 41 D 7.88 4.01 0.00 2.64 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 42 L 7.36 4.30 0.00 1.79 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.63 3.97 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 0.00 0.00 0.00 44 R 7.51 4.30 0.00 2.16 1.99 0.00 3.26 0.00 0.00 3.37 7.35 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 8.53 4.56 0.00 1.97 1.80 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 2.34 2.30 0.00 46 A 8.18 3.54 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.82 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.21 4.54 0.00 2.72 2.83 0.00 0.00 6.89 7.80 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 49 L 7.31 4.50 0.00 1.18 0.96 1.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.85 3.93 0.00 2.03 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 2.32 0.00 51 W 7.72 4.46 0.00 3.60 3.23 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 52 T 7.09 3.71 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 0.95 0.00 0.00 53 D 8.80 4.33 0.00 2.79 2.72 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 54 T 7.71 3.75 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 1.06 0.00 0.00 55 A 7.79 4.00 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 8.02 4.08 0.00 1.90 1.84 0.00 3.21 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 1.66 1.75 0.00