NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3252 8.3044 120.3502 54.5976 32.7640 175.1036 2 K 3.5048 8.9029 118.9219 56.4576 32.2361 175.6694 3 R 4.2548 8.6315 126.1164 56.4207 32.6471 175.6958 4 T 4.5051 7.7749 111.0839 60.4254 66.5533 176.2244 5 F 4.9692 7.3772 118.4193 58.3462 40.6721 171.9222 6 Q 4.3581 8.4857 126.3912 52.2067 28.5052 173.8564 7 P 4.1933 0.0000 0.0000 63.3405 31.8315 177.1928 8 S 4.5320 8.4826 108.4339 56.2991 63.7171 176.6730 9 V 3.5491 8.0136 127.3171 64.4642 31.0393 177.5504 10 L 3.9107 8.0581 121.1451 57.6640 41.9278 179.0857 11 K 4.0021 7.8171 117.9564 59.5681 32.2016 179.0801 12 R 4.0036 8.4303 119.4059 60.4655 29.7791 177.5081 13 N 4.5471 8.4130 116.5265 55.5555 38.4537 177.0016 14 R 4.0171 7.8595 118.5385 58.3311 29.6621 177.8258 15 S 4.5469 7.7145 114.7785 60.0453 64.2177 175.3439 16 H 4.9829 8.1536 116.8518 55.3304 29.8541 173.6354 17 G 4.1511 8.4228 108.3802 43.7796 0.0000 175.3936 18 F 3.8805 9.0112 124.1621 61.7761 38.9508 177.4656 19 R 3.9495 8.1624 116.9712 59.1943 30.1656 177.8490 20 A 4.0892 7.8156 120.8829 54.1661 18.7972 179.1822 21 R 3.9651 7.9860 118.1749 59.5803 30.0221 178.2834 22 M 4.1348 7.7027 115.1530 55.7104 31.9919 176.9356 23 A 4.4669 7.8169 124.3682 52.5620 20.7745 178.5872 24 T 4.6815 7.2927 105.4500 59.5088 73.0789 174.2371 25 K 3.8199 8.4939 121.7416 60.1651 32.0494 178.2666 26 N 4.6716 7.9471 115.7122 54.7022 38.8918 177.2908 27 G 3.6411 7.7717 108.1676 47.8349 0.0000 176.1596 28 R 4.0029 7.9765 120.8388 57.6741 30.0203 179.1069 29 Q 4.0046 7.5628 117.7056 58.5445 28.8334 177.9580 30 V 3.5835 7.5841 119.2982 66.6633 31.4036 177.5808 31 L 4.0513 8.0019 117.8936 57.1454 41.4276 178.7899 32 A 3.9263 8.1606 120.0903 55.5502 18.3895 179.4846 33 R 3.8280 8.5319 117.2607 59.9302 30.0666 179.0278 34 R 3.9106 7.6866 117.6116 59.3105 29.9200 178.7830 35 R 3.8500 8.3826 117.4304 59.5581 29.9159 178.0889 36 A 4.1642 8.1090 119.8720 54.8807 18.7757 179.0896 37 K 4.1096 7.9737 114.7120 56.3156 33.1327 176.4060 38 G 3.9040 8.0798 106.1406 47.3444 0.0000 174.1038 39 R 3.9923 7.6609 116.5647 55.7302 30.6259 174.7686 40 A 3.9678 7.8219 125.4306 52.9347 18.9003 177.9613 41 R 4.3349 7.6429 125.9478 53.9953 29.8543 176.9007 42 L 3.8158 7.9269 122.0699 57.4340 42.0146 178.9379 43 T 4.1337 7.8933 117.1447 61.7609 69.5743 174.0471 44 V 3.1807 8.3246 126.1829 63.2642 28.7966 172.8783 45 S 3.8307 7.3337 115.6632 60.2773 63.5201 175.7132 46 K 4.1803 7.9575 124.9791 55.6114 32.1171 176.4023 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 1 M 8.30 4.33 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.90 3.50 0.00 1.84 1.77 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 3 R 8.63 4.25 0.00 1.88 1.97 0.00 3.42 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.77 4.51 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 1.23 0.00 0.00 5 F 7.38 4.97 0.00 2.86 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 6 Q 8.49 4.36 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 7 P 0.00 4.19 0.00 1.99 1.58 0.00 3.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 8 S 8.48 4.53 0.00 3.81 3.74 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 9 V 8.01 3.55 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 0.75 0.00 0.00 0.95 0.00 0.00 10 L 8.06 3.91 0.00 1.70 1.73 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.82 4.00 0.00 1.98 1.87 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 12 R 8.43 4.00 0.00 1.90 2.19 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 13 N 8.41 4.55 0.00 2.86 2.81 0.00 0.00 6.77 7.82 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 14 R 7.86 4.02 0.00 1.93 2.09 0.00 3.06 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 15 S 7.71 4.55 0.00 4.10 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 16 H 8.15 4.98 0.00 3.10 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.42 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 18 F 9.01 3.88 0.00 3.11 3.11 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 19 R 8.16 3.95 0.00 1.93 1.93 0.00 3.49 0.00 0.00 3.25 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 20 A 7.82 4.09 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 21 R 7.99 3.97 0.00 2.02 1.80 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 22 M 7.70 4.13 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 23 A 7.82 4.47 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.29 4.68 4.21 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 1.18 0.00 0.00 25 K 8.49 3.82 0.00 1.87 1.79 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 7.95 4.67 0.00 2.69 2.84 0.00 0.00 6.86 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 27 G 7.77 3.64 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 0.00 0.00 0.00 28 R 7.98 4.00 0.00 1.83 1.94 0.00 3.07 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 29 Q 7.56 4.00 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 30 V 7.58 3.58 2.23 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 1.03 0.00 0.00 0.95 0.00 0.00 31 L 8.00 4.05 0.00 1.85 1.67 0.52 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.16 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.83 0.00 2.10 2.05 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 34 R 7.69 3.91 0.00 1.99 1.98 0.00 3.22 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 35 R 8.38 3.85 0.00 1.94 2.07 0.00 3.31 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 36 A 8.11 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.11 0.00 1.91 1.93 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.46 7.81 38 G 8.08 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 39 R 7.66 3.99 0.00 1.78 1.86 0.00 3.30 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 A 7.82 3.97 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 41 R 7.64 4.33 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 42 L 7.93 3.82 0.00 1.70 1.86 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.89 4.13 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 1.26 0.00 0.00 44 V 8.32 3.18 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 0.85 0.00 0.00 0.96 0.00 0.00 45 S 7.33 3.83 0.00 3.99 3.82 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 0.00 0.00 0.00 0.00 46 K 7.96 4.18 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.46 7.81