NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9856 8.0093 121.3343 60.4474 39.2924 175.0754 4 K 4.4306 7.4131 118.4941 54.5078 34.7788 170.4122 5 V 4.4724 8.7277 114.3287 59.9825 36.2385 177.4887 6 R 4.3775 8.0359 121.0687 54.7401 31.6039 174.0147 7 E 3.9730 8.0134 121.9862 55.5057 31.1669 176.3338 8 N 5.1827 7.9230 126.7149 52.9608 37.7010 176.3903 9 E 4.2348 9.1417 124.4089 58.5719 30.0962 174.3565 10 P 4.6052 0.0000 0.0000 62.2683 30.6976 174.6224 11 F 4.5356 7.7911 118.0778 58.2519 39.6957 172.5171 12 D 4.1411 7.9032 122.5026 53.9985 43.6552 176.6753 13 V 4.4716 7.9351 118.7833 59.2748 33.7160 175.0957 14 A 4.0124 8.8217 126.0812 55.2990 18.6485 178.5538 15 L 3.6267 7.8313 111.7011 56.5729 39.6925 176.1900 16 R 4.6873 7.3210 116.6839 55.2783 29.7905 175.8133 17 R 4.2600 7.7024 114.6657 56.8750 30.4831 178.8943 18 F 3.8880 8.2008 122.9985 60.5668 39.7474 177.4193 19 K 4.2095 8.1176 119.4819 58.5950 32.4184 178.5960 20 R 4.5408 7.5004 115.4760 56.5412 29.3363 177.2507 21 S 4.5583 8.3983 113.5747 58.8896 63.9333 173.5150 22 C 4.7747 7.0456 112.5843 60.9139 33.1580 179.2935 23 E 4.3945 7.9748 125.0933 55.5550 30.9571 176.0072 24 K 3.4966 8.4943 124.4011 58.6967 32.2066 177.0711 25 A 4.2471 8.8362 116.9208 52.8575 17.7844 178.8181 26 G 3.7242 7.9582 107.9336 48.7412 0.0000 175.7560 27 V 4.2691 7.6326 118.1474 62.2457 33.0006 177.1519 28 L 4.0841 8.1076 119.3999 57.4514 41.9107 178.0960 29 A 4.3700 7.9840 117.7283 52.7743 18.4939 176.8765 30 E 4.4841 7.8928 117.0143 57.2400 30.9951 176.5236 31 V 4.2082 7.1239 119.8413 61.0435 30.0682 175.4160 32 R 4.5265 7.6804 120.2575 56.1389 31.7675 174.6064 33 R 4.3297 7.8357 115.1385 56.0685 32.9497 173.6561 34 R 3.8867 8.3535 115.6377 56.0202 31.1962 176.6849 35 E 4.3164 9.0445 120.4332 56.4536 27.9471 179.0890 36 F 3.4959 7.0425 118.3418 57.2971 42.5042 180.3031 37 Y 3.3400 8.3967 119.3913 59.4980 35.4856 170.2501 38 E 4.5941 9.5986 123.1937 57.3162 30.8709 176.9860 39 K 4.2441 7.9325 118.1607 58.4564 32.4637 175.9817 40 P 3.5945 0.0000 0.0000 65.7741 30.6449 177.7251 41 T 4.0157 7.9994 108.3260 63.8312 68.4155 175.0230 42 T 4.5092 8.8228 112.8671 62.9675 70.5004 174.6073 43 E 4.3410 8.1755 121.8978 58.2291 29.2266 177.6364 44 R 3.9704 7.5325 119.1250 57.4484 30.5677 178.1951 45 K 4.1633 7.9338 121.4567 58.8927 32.7077 178.2560 46 R 4.1078 7.5700 116.1063 57.4673 30.1612 177.2163 47 A 4.2810 7.9193 118.6771 53.8483 18.9305 178.1295 48 K 4.4376 7.8404 115.4099 56.5897 33.7588 177.6649 49 A 4.0991 7.9647 120.0365 55.1538 18.3562 179.0640 50 S 4.3319 8.0798 112.3771 60.0839 64.5341 175.3407 51 A 4.4083 7.1846 125.0520 50.5404 16.2933 175.8321 52 V 4.3400 6.7859 118.2820 60.5149 34.6968 176.8264 53 K 4.1725 7.9173 124.8103 55.6964 32.8184 176.3050 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 3 I 8.01 3.99 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.82 0.00 0.00 4 K 7.41 4.43 0.00 1.82 1.69 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.45 7.81 5 V 8.73 4.47 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 0.81 0.00 0.00 0.92 0.00 0.00 6 R 8.04 4.38 0.00 1.68 1.78 0.00 3.18 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 7 E 8.01 3.97 0.00 1.16 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 1.89 1.58 0.00 8 N 7.92 5.18 0.00 2.71 2.07 0.00 0.00 7.04 7.66 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 9 E 9.14 4.23 0.00 2.13 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 0.00 2.29 2.34 0.00 10 P 0.00 4.61 0.00 2.26 2.20 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 11 F 7.79 4.54 0.00 3.25 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 12 D 7.90 4.14 0.00 2.52 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 13 V 7.94 4.47 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 0.83 0.00 0.00 1.01 0.00 0.00 14 A 8.82 4.01 1.35 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 0.00 0.00 15 L 7.83 3.63 0.00 1.82 1.75 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.32 4.69 0.00 1.84 1.82 0.00 3.19 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 17 R 7.70 4.26 0.00 1.87 1.90 0.00 3.15 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 18 F 8.20 3.89 0.00 3.14 2.93 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 0.00 0.00 0.00 19 K 8.12 4.21 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.42 7.81 20 R 7.50 4.54 0.00 1.86 1.96 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 21 S 8.40 4.56 0.00 3.75 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 22 C 7.05 4.77 0.00 3.07 2.75 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 0.00 0.00 0.00 23 E 7.97 4.39 0.00 2.03 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 2.40 2.29 0.00 24 K 8.49 3.50 0.00 1.92 1.12 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.43 7.81 25 A 8.84 4.25 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 26 G 7.96 3.72 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 0.00 0.00 0.00 27 V 7.63 4.27 2.09 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 1.04 0.00 0.00 0.94 0.00 0.00 28 L 8.11 4.08 0.00 1.94 1.70 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.98 4.37 1.33 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 0.00 0.00 30 E 7.89 4.48 0.00 2.01 2.15 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 2.36 2.37 0.00 31 V 7.12 4.21 2.11 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 0.83 0.00 0.00 1.05 0.00 0.00 32 R 7.68 4.53 0.00 1.94 1.82 0.00 3.33 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 1.52 1.60 0.00 33 R 7.84 4.33 0.00 1.68 1.63 0.00 3.26 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 34 R 8.35 3.89 0.00 1.61 1.78 0.00 3.18 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 35 E 9.04 4.32 0.00 2.11 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 2.36 2.37 0.00 36 F 7.04 3.50 0.00 3.15 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 37 Y 8.40 3.34 0.00 3.32 2.70 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 0.00 0.00 0.00 38 E 9.60 4.59 0.00 2.04 2.01 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 2.30 2.39 0.00 39 K 7.93 4.24 0.00 2.46 2.22 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.97 1.71 7.81 40 P 0.00 3.59 0.00 2.20 2.08 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 41 T 8.00 4.02 4.25 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 1.31 0.00 0.00 42 T 8.82 4.51 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 1.24 0.00 0.00 43 E 8.18 4.34 0.00 1.93 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 2.43 2.46 0.00 44 R 7.53 3.97 0.00 1.74 1.91 0.00 3.02 0.00 0.00 2.93 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 K 7.93 4.16 0.00 1.88 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 46 R 7.57 4.11 0.00 1.93 1.89 0.00 3.15 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 47 A 7.92 4.28 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 48 K 7.84 4.44 0.00 1.80 1.74 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.44 7.81 49 A 7.96 4.10 1.30 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 0.00 0.00 0.00 50 S 8.08 4.33 0.00 3.86 3.93 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 0.00 0.00 0.00 51 A 7.18 4.41 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 52 V 6.79 4.34 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 0.89 0.00 0.00 0.93 0.00 0.00 53 K 7.92 4.17 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.33 7.81