NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4067 8.1927 115.2899 57.8792 64.0591 174.2793 1 R 3.9579 8.5333 128.6310 58.3663 29.9649 177.0589 2 M 4.0080 8.1557 117.7648 58.5467 32.6624 177.4373 3 K 4.0853 7.8287 119.8244 59.6533 31.9397 178.7264 4 Q 3.9747 8.3093 118.4702 58.7963 28.6345 178.6087 5 L 3.9655 7.8352 120.9707 58.2839 42.1440 178.8223 6 E 3.9980 8.3300 118.5587 59.4831 29.2620 179.1354 7 D 4.3468 8.4185 119.1507 57.4082 40.8509 178.9973 8 K 3.9616 8.1866 118.9684 59.3848 31.9376 179.6627 9 V 3.5791 7.8826 118.5434 66.0310 31.5076 177.9548 10 E 3.9560 8.3863 118.4620 59.3480 29.1894 179.0477 11 E 3.9948 8.4769 118.9064 59.6543 29.5550 179.5630 12 L 4.0310 8.1846 118.9504 57.6268 41.6266 179.6357 13 L 4.0013 8.1939 119.1958 57.7630 41.6144 179.4317 14 S 4.1317 8.1627 112.9888 61.4306 62.3125 176.3561 15 K 4.0577 8.4255 121.5136 59.5002 31.7748 178.8912 16 N 4.2979 8.6521 117.7714 56.6650 38.8638 175.9858 17 Y 4.0706 8.0327 120.9671 61.3849 38.8771 178.1543 18 H 3.9635 8.3263 116.7732 58.6467 28.7820 177.7004 19 L 3.9365 8.3380 122.6728 57.9745 41.9271 178.5012 20 E 3.8739 8.5286 119.7906 59.3423 29.4738 178.5293 21 N 4.2198 7.8388 116.4635 56.3797 38.5686 177.5428 22 R 3.8780 7.8618 119.3745 59.1568 30.0174 179.3745 23 V 3.5491 7.8959 117.8908 65.8672 31.5028 177.8620 24 A 4.2537 8.3299 122.3309 54.4946 18.1085 179.5337 25 R 3.7825 8.1238 117.1322 59.6520 30.2277 178.5911 26 L 3.9617 7.9365 118.6580 58.0587 41.4178 179.4896 27 E 4.1628 8.4132 118.5942 59.2653 29.1305 179.5778 28 K 3.9929 8.0321 117.7986 59.4450 32.2091 179.1398 29 L 4.1234 7.8486 118.1164 57.8773 41.8094 179.5890 30 V 3.7158 8.3829 118.4581 63.9887 31.2251 177.9006 31 G 4.0311 8.1846 105.9323 45.1741 0.0000 173.2585 32 E 4.2551 7.6402 123.2703 56.4335 29.7850 175.6615 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 0 S 8.19 4.41 0.00 3.87 3.80 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 1 R 8.53 3.96 0.00 2.00 1.91 0.00 3.28 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 2 M 8.16 4.01 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 3 K 7.83 4.09 0.00 1.81 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 4 Q 8.31 3.97 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 5 L 7.84 3.97 0.00 1.91 1.84 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.33 4.00 0.00 2.19 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 0.00 2.33 2.51 0.00 7 D 8.42 4.35 0.00 2.86 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 8 K 8.19 3.96 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 9 V 7.88 3.58 2.21 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 1.11 0.00 0.00 0.97 0.00 0.00 10 E 8.39 3.96 0.00 2.17 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 0.00 2.54 2.50 0.00 11 E 8.48 3.99 0.00 2.23 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 0.00 2.35 2.48 0.00 12 L 8.18 4.03 0.00 1.85 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.19 4.00 0.00 1.86 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.13 0.00 3.94 4.06 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 15 K 8.43 4.06 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.64 7.81 16 N 8.65 4.30 0.00 2.85 2.90 0.00 0.00 6.86 7.17 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 17 Y 8.03 4.07 0.00 3.09 3.12 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 0.00 0.00 0.00 18 H 8.33 3.96 0.00 3.26 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.34 3.94 0.00 1.84 1.66 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.53 3.87 0.00 2.03 1.94 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 2.24 2.31 0.00 21 N 7.84 4.22 0.00 2.66 2.70 0.00 0.00 7.03 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 22 R 7.86 3.88 0.00 2.03 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 1.63 1.60 0.00 23 V 7.90 3.55 2.18 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 1.08 0.00 0.00 0.95 0.00 0.00 24 A 8.33 4.25 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 25 R 8.12 3.78 0.00 1.86 2.11 0.00 3.10 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 1.61 1.66 0.00 26 L 7.94 3.96 0.00 1.93 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.41 4.16 0.00 2.16 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 0.00 2.32 2.49 0.00 28 K 8.03 3.99 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.53 7.81 29 L 7.85 4.12 0.00 1.74 1.72 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.38 3.72 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 1.00 0.00 0.00 0.97 0.00 0.00 31 G 8.18 4.03 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 0.00 0.00 0.00 32 E 7.64 4.26 0.00 1.90 1.82 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 2.38 2.35 0.00