NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9002 8.0093 121.4235 60.9607 37.8204 174.7326 4 K 4.2788 8.4362 125.1996 54.9497 34.0781 171.2461 5 V 4.4544 8.1917 119.9950 61.8435 35.3325 174.9703 6 R 4.5551 8.4839 126.5451 55.4056 32.7943 173.5525 7 E 4.8483 8.6807 124.1625 54.5170 32.7684 174.8581 8 N 4.5058 8.5333 119.0013 53.2768 40.4002 170.6989 9 E 3.4358 8.5810 130.5080 54.5831 27.8729 172.7432 10 P 3.9875 0.0000 0.0000 62.5672 31.0485 175.8013 11 F 4.9624 7.6314 117.6323 54.9799 41.2080 175.6784 12 D 4.7647 8.7862 124.7095 54.1620 38.4506 176.6478 13 V 4.2986 7.4364 116.6070 59.5552 33.7912 176.3059 14 A 3.9892 8.8707 128.8403 53.3223 19.0015 176.7607 15 L 3.5777 7.7069 115.2162 56.2011 39.9878 174.3975 16 R 4.2633 7.5597 118.5923 57.2791 30.6792 177.0730 17 R 3.9110 7.9881 118.1269 59.8555 29.8784 177.9023 18 F 4.4470 8.2629 118.0173 61.3306 38.1951 176.4814 19 K 3.7139 7.9752 118.0797 59.0097 32.7844 178.3423 20 R 4.5769 7.2084 116.8340 55.5644 29.0601 176.6872 21 S 4.7529 7.6236 108.2201 57.7982 64.6994 172.9642 22 C 4.9238 7.9718 109.6713 59.1433 35.1973 173.6390 23 E 4.7119 7.1344 120.9205 54.8318 31.7219 174.9657 24 K 3.3869 8.5524 122.2569 57.6011 31.6100 174.7992 25 A 4.1124 8.5793 118.7529 54.2192 18.7934 176.2469 26 G 4.3337 9.2114 115.5787 46.0575 0.0000 175.0250 27 V 4.0882 7.3188 116.6410 62.1667 32.5917 175.1882 28 L 4.4477 7.7386 118.1094 57.0896 43.7279 177.9551 29 A 4.0867 8.0288 117.7762 54.3828 18.1982 178.4796 30 E 3.9602 7.8764 117.0421 58.6556 30.1096 177.6743 31 V 3.8302 7.2262 114.8661 63.1138 31.7521 177.1982 32 R 3.9514 7.7339 117.4978 61.6745 30.5487 175.4282 33 R 4.4972 7.6964 118.0486 54.5952 32.0181 174.5484 34 R 4.1230 8.4330 113.5438 56.3765 31.0970 176.4320 35 E 3.8238 8.8382 121.8670 56.8618 27.2185 177.5570 36 F 4.7716 7.6866 132.2487 58.4231 41.8175 172.7548 37 Y 3.8613 7.1843 119.2218 58.4275 37.0344 170.8915 38 E 4.2617 8.1721 118.7392 58.9418 30.8984 178.4286 39 K 3.6889 7.9298 118.2419 59.3101 31.7961 176.5777 40 P 4.1531 0.0000 0.0000 65.5695 31.3046 178.3495 41 T 3.8438 7.7870 111.2906 64.0805 68.7265 173.5399 42 T 4.2318 7.5660 109.7057 61.8340 70.2042 175.4339 43 E 3.8164 7.8295 125.1382 58.8721 30.2617 179.4700 44 R 4.1692 8.2448 118.0133 58.8778 30.0853 178.2018 45 K 4.4451 7.7082 114.7250 57.0904 32.1575 178.4034 46 R 4.3007 7.7432 119.4998 57.5533 30.6242 177.9984 47 A 4.1385 7.7868 120.5088 53.9983 18.2672 179.6467 48 K 3.9379 7.9957 117.5426 59.9986 32.5736 179.0575 49 A 4.0109 7.5598 121.2269 54.9583 18.2581 179.3007 50 S 4.1758 7.9619 110.8642 60.9512 62.2862 176.1643 51 A 4.0227 7.9836 123.8067 55.1739 18.3129 179.5329 52 V 3.6725 7.9083 116.6571 64.7778 31.2048 176.1094 53 K 3.9683 7.4438 122.8249 57.0628 33.2054 173.9219 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 3.90 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.72 -0.08 0.00 0.00 4 K 8.44 4.28 0.00 1.98 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 5 V 8.19 4.45 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 0.82 0.00 0.00 1.08 0.00 0.00 6 R 8.48 4.56 0.00 1.78 1.77 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 7 E 8.68 4.85 0.00 2.17 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 2.33 2.43 0.00 8 N 8.53 4.51 0.00 2.69 2.72 0.00 0.00 7.10 7.65 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 9 E 8.58 3.44 0.00 1.94 1.85 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 2.25 2.31 0.00 10 P 0.00 3.99 0.00 2.08 1.97 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 11 F 7.63 4.96 0.00 2.97 3.05 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 12 D 8.79 4.76 0.00 2.74 2.73 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 13 V 7.44 4.30 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 0.63 0.00 0.00 0.87 0.00 0.00 14 A 8.87 3.99 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 15 L 7.71 3.58 0.00 1.77 1.72 1.00 0.88 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 16 R 7.56 4.26 0.00 1.97 1.90 0.00 3.32 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 17 R 7.99 3.91 0.00 1.92 2.05 0.00 3.36 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 18 F 8.26 4.45 0.00 2.88 3.08 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 19 K 7.98 3.71 0.00 2.05 1.81 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.41 1.43 7.81 20 R 7.21 4.58 0.00 1.88 1.90 0.00 3.25 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 21 S 7.62 4.75 0.00 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.92 0.00 3.09 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 23 E 7.13 4.71 0.00 1.95 1.74 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 2.16 2.26 0.00 24 K 8.55 3.39 0.00 1.86 1.59 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.33 7.81 25 A 8.58 4.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.21 4.33 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 0.00 27 V 7.32 4.09 2.06 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 0.76 0.00 0.00 0.95 0.00 0.00 28 L 7.74 4.45 0.00 1.63 1.66 0.89 1.25 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 29 A 8.03 4.09 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 30 E 7.88 3.96 0.00 1.94 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 2.06 2.13 0.00 31 V 7.23 3.83 2.02 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 0.80 0.00 0.00 0.90 0.00 0.00 32 R 7.73 3.95 0.00 1.80 2.01 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 33 R 7.70 4.50 0.00 1.75 1.77 0.00 3.32 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 34 R 8.43 4.12 0.00 1.94 2.00 0.00 3.05 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 35 E 8.84 3.82 0.00 1.48 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 2.27 2.38 0.00 36 F 7.69 4.77 0.00 2.72 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 37 Y 7.18 3.86 0.00 3.22 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 38 E 8.17 4.26 0.00 2.10 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 2.32 2.39 0.00 39 K 7.93 3.69 0.00 0.79 0.78 0.00 1.94 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 40 P 0.00 4.15 0.00 2.32 2.50 0.00 3.62 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 2.14 2.11 0.00 41 T 7.79 3.84 4.24 0.00 0.00 0.00 0.00 0.00 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 42 T 7.57 4.23 4.18 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 1.28 0.00 0.00 43 E 7.83 3.82 0.00 1.79 1.95 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 2.26 2.40 0.00 44 R 8.24 4.17 0.00 2.18 1.97 0.00 3.27 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 45 K 7.71 4.45 0.00 1.90 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 46 R 7.74 4.30 0.00 2.01 1.95 0.00 3.30 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 47 A 7.79 4.14 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 48 K 8.00 3.94 0.00 2.04 2.08 0.00 1.40 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.59 7.81 49 A 7.56 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 0.00 3.90 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 51 A 7.98 4.02 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 52 V 7.91 3.67 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 0.79 0.00 0.00 0.93 0.00 0.00 53 K 7.44 3.97 0.00 1.72 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.23 7.81