NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4643 8.3193 115.4151 57.6410 64.6002 173.5384 2 S 4.1775 8.2071 115.5842 57.9617 64.6976 173.6110 3 N 4.4411 9.1162 122.3986 56.4264 38.7668 178.7004 4 A 4.0542 8.0466 121.7239 55.2387 18.5573 179.7164 5 K 3.9842 8.0912 116.8344 59.4359 32.1143 179.4389 6 F 4.0156 8.3507 120.9634 61.4987 39.4187 176.9474 7 D 4.4944 8.8573 118.9023 57.2943 40.5032 178.5959 8 Q 3.9342 8.1186 120.1360 59.0857 29.0999 178.0202 9 F 4.0968 8.1073 121.6300 61.4290 39.3474 176.9849 10 S 3.5423 7.9561 113.0172 61.1528 62.0839 176.0846 11 S 4.0235 7.9918 115.8361 61.4598 62.1590 175.8951 12 D 4.3290 8.1788 121.7854 57.2351 40.5088 178.5229 13 F 3.9783 8.1929 121.5975 61.2727 39.3568 177.1759 14 Q 3.9482 8.2526 117.8036 59.2351 28.4930 178.9803 15 T 3.8194 7.8355 116.7546 66.5325 68.4055 176.4682 16 F 4.1000 8.1026 122.5653 61.1495 39.3638 176.6151 17 N 3.5908 7.9616 116.8228 56.3509 38.6899 176.6813 18 A 3.9061 7.8122 122.0514 55.1527 18.3966 179.8016 19 K 3.9112 7.9898 117.0022 59.4186 31.9792 179.4428 20 F 3.8557 8.1007 121.4506 61.0957 39.2873 176.6177 21 D 4.2346 8.1882 117.7925 57.2987 40.8908 178.0578 22 Q 3.8716 7.9881 119.9542 59.1671 29.0561 177.9807 23 F 4.3773 8.5106 123.4255 60.7512 39.3381 177.2082 24 S 3.4822 7.7348 113.9761 61.2531 62.6679 176.3042 25 N 4.2619 8.0391 120.0583 56.0268 38.0291 177.0327 26 D 4.3253 8.2760 120.7625 57.3774 40.8552 178.7040 27 F 4.0208 8.1034 121.4730 61.2196 39.3586 176.7448 28 N 4.2090 8.4063 116.5838 56.3766 38.7073 176.8060 29 A 3.9178 8.0762 122.4883 54.8932 18.3940 179.2213 30 F 4.0782 8.2175 119.2550 61.6171 39.3357 177.4586 31 R 3.3318 7.5747 117.5689 59.2203 29.8004 179.2116 32 S 4.0325 7.8471 114.7588 61.6865 62.7635 176.4661 33 D 4.3291 7.9176 121.5424 57.2151 40.5031 178.7269 34 F 3.8555 8.0373 121.4960 61.3117 39.4036 177.2737 35 Q 3.9787 8.2979 117.7014 58.7742 28.4004 178.7797 36 A 3.9151 8.0071 121.8513 54.9457 18.4072 179.3745 37 F 4.1754 8.1575 119.2700 61.3413 39.3668 177.0382 38 K 3.2636 7.7310 119.4893 59.6078 31.8556 178.4061 39 D 4.2588 7.9939 118.9053 57.3373 40.6750 178.4436 40 D 4.3003 8.0778 119.5285 57.2733 40.7185 178.6732 41 F 3.8071 8.1616 121.3093 61.1303 39.3644 177.0598 42 A 3.9694 8.2784 120.6869 55.1879 18.1077 179.8558 43 R 3.8570 7.9689 116.7787 58.9814 30.1699 178.8220 44 F 4.0266 8.1300 120.6316 61.2321 39.2670 176.5546 45 N 3.6453 7.7496 116.8104 56.6101 38.5924 176.4716 46 Q 3.8560 7.8124 120.7622 59.3261 29.0540 178.5761 47 R 3.8608 7.7052 119.0451 58.8773 29.9562 178.8217 48 F 3.9683 8.1402 120.9832 61.1631 39.2902 176.5764 49 D 4.1556 8.2015 117.8916 57.4455 40.9658 178.0059 50 N 4.2285 8.2609 117.0270 56.1791 38.5312 177.0823 51 F 4.0532 8.2673 121.8188 61.3642 39.2716 177.0962 52 A 3.4525 7.4992 119.0902 55.1079 18.1069 179.5124 53 T 3.8793 7.6312 113.7161 66.7248 68.6501 177.0077 54 K 4.0956 7.9436 118.9929 58.0633 32.5949 177.4765 55 Y 4.3831 7.3961 120.5291 56.7992 39.0003 175.3878 56 R 4.0475 7.6447 120.3070 56.1597 29.9708 176.0663 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 S 8.32 4.46 0.00 4.05 4.01 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 0.00 0.00 0.00 2 S 8.21 4.18 0.00 4.18 4.07 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 0.00 0.00 0.00 3 N 9.12 4.44 0.00 2.80 2.97 0.00 0.00 6.75 7.23 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 4 A 8.05 4.05 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 5 K 8.09 3.98 0.00 1.92 1.92 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 F 8.35 4.02 0.00 3.28 3.18 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 0.00 7 D 8.86 4.49 0.00 2.80 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 8 Q 8.12 3.93 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 9 F 8.11 4.10 0.00 3.08 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 10 S 7.96 3.54 0.00 3.53 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 11 S 7.99 4.02 0.00 3.91 3.96 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 12 D 8.18 4.33 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 3.98 0.00 2.37 2.86 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 0.00 0.00 0.00 0.00 14 Q 8.25 3.95 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 15 T 7.84 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 16 F 8.10 4.10 0.00 3.10 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 17 N 7.96 3.59 0.00 2.36 2.68 0.00 0.00 7.11 7.47 0.00 0.00 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 A 7.81 3.91 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 19 K 7.99 3.91 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.63 7.81 20 F 8.10 3.86 0.00 2.46 2.86 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 0.00 0.00 0.00 0.00 21 D 8.19 4.23 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 3.87 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 23 F 8.51 4.38 0.00 3.05 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 24 S 7.73 3.48 0.00 3.89 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.04 4.26 0.00 2.87 2.85 0.00 0.00 6.98 7.49 0.00 0.00 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 D 8.28 4.33 0.00 2.76 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 27 F 8.10 4.02 0.00 2.46 2.83 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 0.00 0.00 0.00 0.00 28 N 8.41 4.21 0.00 2.98 2.88 0.00 0.00 7.11 8.06 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 29 A 8.08 3.92 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 30 F 8.22 4.08 0.00 3.03 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 31 R 7.57 3.33 0.00 1.91 1.82 0.00 3.40 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.00 32 S 7.85 4.03 0.00 4.00 3.85 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 0.00 0.00 0.00 33 D 7.92 4.33 0.00 2.81 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 34 F 8.04 3.86 0.00 2.38 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 35 Q 8.30 3.98 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 36 A 8.01 3.92 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 37 F 8.16 4.18 0.00 3.02 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 38 K 7.73 3.26 0.00 1.31 1.71 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 39 D 7.99 4.26 0.00 2.81 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 40 D 8.08 4.30 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.16 3.81 0.00 2.48 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 3.97 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 43 R 7.97 3.86 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 44 F 8.13 4.03 0.00 2.99 2.79 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 0.00 0.00 0.00 45 N 7.75 3.65 0.00 2.61 2.74 0.00 0.00 6.91 7.94 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 46 Q 7.81 3.86 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 47 R 7.71 3.86 0.00 1.96 1.93 0.00 3.19 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 48 F 8.14 3.97 0.00 2.34 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 49 D 8.20 4.16 0.00 2.87 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 50 N 8.26 4.23 0.00 2.87 2.82 0.00 0.00 6.69 8.68 0.00 0.00 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 F 8.27 4.05 0.00 3.01 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 52 A 7.50 3.45 0.92 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 0.00 0.00 0.00 53 T 7.63 3.88 4.32 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 1.15 0.00 0.00 54 K 7.94 4.10 0.00 1.68 1.85 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.57 7.81 55 Y 7.40 4.38 0.00 2.38 2.29 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 56 R 7.64 4.05 0.00 1.86 1.78 0.00 3.06 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00