NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5224 0.0000 0.0000 62.9223 33.4166 174.6304 3 M 5.2414 8.6700 120.3569 53.3718 34.5220 173.8445 4 I 4.9006 9.1126 123.9941 59.4926 41.6905 174.3233 5 S 5.1249 8.8200 119.5762 56.7284 66.4068 173.1828 6 C 4.6676 9.0956 122.2198 57.8743 34.2382 172.8699 7 D 5.3280 8.8543 127.8780 53.7913 40.6456 175.7561 8 M 4.6860 9.1766 121.1246 52.8294 35.2637 175.0758 9 R 4.0674 7.3681 118.0810 56.3075 30.8816 176.2623 10 Y 4.0443 8.5466 120.2033 58.5604 38.2771 175.5233 11 G 4.4944 9.4073 108.9100 46.4655 0.0000 175.3150 12 R 4.1600 7.7572 118.3181 56.2997 30.7286 177.2117 13 T 4.2913 9.5784 113.7365 61.2341 71.2120 175.6035 14 D 4.4326 8.7415 123.7446 58.1222 40.8297 179.5213 15 E 3.9939 8.1540 118.1820 61.4913 29.8192 181.1021 16 Q 4.2609 8.1983 119.3024 58.7109 28.6366 179.3046 17 K 4.1016 8.0498 119.8371 59.0676 32.0254 179.3862 18 R 4.5263 8.3113 117.0693 57.9664 29.6154 178.7854 19 A 3.9520 7.8440 121.5965 54.7417 18.3769 179.2181 20 L 3.8412 8.0300 119.1217 58.3454 42.2508 179.3888 21 S 3.6706 8.3124 114.0682 61.3191 62.7872 176.0888 22 A 4.0380 8.2291 125.0022 54.7825 18.1115 179.9224 23 G 3.4666 8.1280 104.0393 47.7356 0.0000 176.0815 24 L 3.8273 8.2776 121.9202 57.5095 41.4977 179.7099 25 L 3.9328 8.0893 119.3075 57.4562 41.3818 179.4925 26 R 3.8237 7.6691 118.8324 59.7012 30.1389 179.0829 27 V 3.6033 7.6660 111.9799 64.3644 31.4516 178.8138 28 I 3.7419 7.5857 119.2720 64.3616 36.9317 178.3978 29 S 4.1862 8.3958 114.2983 61.0467 61.9280 175.8179 30 E 3.8948 8.2864 121.9019 58.7869 29.5036 177.9445 31 A 4.3045 7.9506 118.9668 53.6589 18.9308 178.4984 32 T 4.3597 8.1862 113.5244 62.6381 69.1746 176.3615 33 G 4.2826 7.9967 107.9620 45.9061 0.0000 172.7321 34 E 4.4050 7.4316 120.0465 53.6184 30.8256 174.5339 35 P 4.4594 0.0000 0.0000 63.1032 32.4671 178.1035 36 R 3.9142 8.7632 120.4443 60.1375 29.3987 180.4095 37 E 4.2242 8.3647 115.0894 58.3375 29.7704 179.4998 38 N 5.0732 7.9526 113.4825 52.6508 38.0782 179.8094 39 I 4.9553 7.7535 119.2324 60.3837 40.1300 174.8932 40 F 5.1597 9.4808 128.3755 56.4463 42.3230 173.7124 41 F 5.4356 7.6489 126.3792 56.4139 42.5724 173.8890 42 V 3.8771 8.0846 124.3516 59.7680 34.8683 173.9758 43 I 4.5340 7.7836 124.3547 59.6539 38.8187 174.9495 44 R 4.5946 8.5553 126.2824 54.4186 32.4134 175.1808 45 E 5.5162 7.9393 121.7409 53.8507 33.0078 175.0573 46 G 4.4881 8.1132 108.0446 45.2801 0.0000 172.1049 47 S 4.9381 8.9898 115.4257 57.7817 63.8947 175.9797 48 G 3.8223 9.4260 112.0233 48.1870 0.0000 175.9148 49 I 3.9652 7.9306 118.8382 63.7861 37.9784 176.1396 50 N 4.5413 8.4756 115.8964 54.0523 38.8192 174.6886 51 F 4.3099 8.9691 118.9692 55.6071 39.9834 174.8130 52 V 4.4938 8.1884 126.5006 61.1669 32.1203 174.4957 53 E 4.4870 8.9351 127.8049 56.1926 31.1093 176.0042 54 H 4.0917 10.0566 118.1866 56.7332 26.6379 175.5863 55 G 4.0130 8.6408 110.5381 45.6342 0.0000 174.4693 56 E 4.7291 8.3840 116.7883 54.1038 31.5803 180.5264 57 H 4.8526 8.7904 121.1569 54.8146 29.3082 175.4362 58 L 4.4884 9.2461 124.7785 54.0220 42.7988 175.0186 59 P 4.6325 0.0000 0.0000 62.0468 32.7757 175.5013 60 D 4.5730 8.6773 120.0934 54.7497 41.3363 176.3118 61 Y 4.0908 8.7056 123.3586 57.5295 39.4738 175.3094 62 V 3.9885 7.1235 125.9268 60.1039 33.1740 173.4431 63 P 4.2229 0.0000 0.0000 62.9374 31.3963 176.0767 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 2 P 0.00 4.52 0.00 2.16 2.27 0.00 3.89 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 2.00 2.02 0.00 3 M 8.67 5.24 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.83 0.00 4 I 9.11 4.90 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.92 0.00 0.00 5 S 8.82 5.12 0.00 3.80 3.81 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 6 C 9.10 4.67 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 5.33 0.00 2.65 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 M 9.18 4.69 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 9 R 7.37 4.07 0.00 1.39 1.78 0.00 3.27 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 0.00 10 Y 8.55 4.04 0.00 2.86 2.90 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 11 G 9.41 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.76 4.16 0.00 1.61 1.81 0.00 2.80 0.00 0.00 2.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 13 T 9.58 4.29 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 1.36 0.00 0.00 14 D 8.74 4.43 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.99 0.00 1.97 1.96 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 2.32 1.98 0.00 16 Q 8.20 4.26 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 17 K 8.05 4.10 0.00 1.99 1.88 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.61 7.81 18 R 8.31 4.53 0.00 2.09 2.20 0.00 3.05 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 19 A 7.84 3.95 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 20 L 8.03 3.84 0.00 1.90 1.92 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.31 3.67 0.00 4.14 4.35 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 22 A 8.23 4.04 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 23 G 8.13 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.28 3.83 0.00 1.40 1.19 0.77 0.21 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 25 L 8.09 3.93 0.00 1.77 1.66 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.67 3.82 0.00 1.92 2.02 0.00 3.08 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 27 V 7.67 3.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 28 I 7.59 3.74 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.89 0.00 0.00 29 S 8.40 4.19 0.00 3.85 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 30 E 8.29 3.89 0.00 2.08 2.07 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 2.31 2.31 0.00 31 A 7.95 4.30 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 32 T 8.19 4.36 4.34 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 1.28 0.00 0.00 33 G 8.00 4.28 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 0.00 34 E 7.43 4.41 0.00 1.76 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 2.29 2.29 0.00 35 P 0.00 4.46 0.00 2.26 2.17 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 36 R 8.76 3.91 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 37 E 8.36 4.22 0.00 1.98 1.90 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 2.23 1.88 0.00 38 N 7.95 5.07 0.00 2.74 2.69 0.00 0.00 6.77 7.56 0.00 0.00 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 I 7.75 4.96 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.29 0.93 0.00 0.00 40 F 9.48 5.16 0.00 3.08 2.94 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 0.00 0.00 0.00 41 F 7.65 5.44 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.88 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 0.84 0.00 0.00 0.81 0.00 0.00 43 I 7.78 4.53 1.60 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.36 0.81 0.00 0.00 44 R 8.56 4.59 0.00 1.85 1.77 0.00 3.35 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 45 E 7.94 5.52 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 1.95 1.81 0.00 46 G 8.11 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.99 4.94 0.00 4.03 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 48 G 9.43 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 0.00 0.00 0.00 49 I 7.93 3.97 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.99 0.00 0.00 50 N 8.48 4.54 0.00 3.19 2.81 0.00 0.00 6.84 8.24 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 51 F 8.97 4.31 0.00 3.20 3.02 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 52 V 8.19 4.49 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 0.77 0.00 0.00 0.56 0.00 0.00 53 E 8.94 4.49 0.00 2.02 1.67 0.00 0.00 0.00 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 2.43 0.00 54 H 10.06 4.09 0.00 3.27 3.36 0.00 5.86 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 55 G 8.64 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 0.00 0.00 0.00 56 E 8.38 4.73 0.00 1.85 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 2.16 2.12 0.00 57 H 8.79 4.85 0.00 3.15 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.25 4.49 0.00 1.79 1.64 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.63 0.00 2.09 2.07 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 60 D 8.68 4.57 0.00 2.60 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 61 Y 8.71 4.09 0.00 2.82 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.12 3.99 1.83 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 0.78 0.00 0.00 0.82 0.00 0.00 63 P 0.00 4.22 0.00 2.25 2.34 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00