NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3158 8.2649 123.5806 51.6390 19.9605 176.4110 2 T 3.8164 8.2992 116.1532 63.5216 68.9035 172.4068 3 L 4.7972 7.8510 123.9090 52.6512 45.7744 176.8267 4 T 4.0780 8.1457 110.5558 61.2858 70.7128 174.9389 5 A 3.9581 8.6257 124.2548 55.8181 18.2269 180.0508 6 E 4.0129 8.0996 115.1108 59.5273 29.8821 179.0019 7 Q 3.9790 7.9278 119.1207 58.6411 28.6438 178.5859 8 S 4.0867 8.6415 114.5772 61.4754 62.5659 176.0981 9 E 3.9944 8.2400 121.2738 59.3443 28.9555 179.0049 10 E 4.0408 8.1787 117.8139 59.5691 29.8903 179.0364 11 L 4.1867 8.3109 120.4547 58.4678 42.2126 178.3964 12 H 4.2602 8.6635 118.4100 59.0405 29.6120 177.1604 13 K 3.8845 8.0465 120.1115 59.8858 31.8284 178.7549 14 Y 3.8270 8.2411 116.8126 60.8484 37.6686 178.7200 15 V 3.5882 7.6832 118.8101 65.9373 31.6987 177.9351 16 I 3.6366 8.1808 119.8504 64.6683 36.9522 178.2597 17 D 4.4239 8.3945 119.9530 57.1472 40.6110 179.0597 18 G 3.6676 8.7852 106.8741 48.0664 0.0000 175.9087 19 T 3.9600 8.3187 118.4346 66.5100 68.4789 176.9628 20 R 3.9601 8.2560 120.1406 59.1189 30.0850 179.1480 21 V 3.5635 7.9891 118.1053 66.0518 31.4470 177.7193 22 F 3.8732 8.3001 120.2255 61.1313 39.1974 176.5055 23 L 4.1432 8.7953 120.3259 58.2946 41.8765 178.9207 24 G 3.7443 8.5969 105.6399 48.1943 0.0000 175.4706 25 L 3.9855 8.0075 121.7060 57.1361 41.5514 179.6157 26 A 3.9510 8.1024 121.1313 54.9752 18.2107 179.7028 27 L 4.0223 8.3704 118.0157 57.9460 41.7224 179.8443 28 V 3.6568 7.9063 117.9801 66.0396 31.4769 177.9264 29 A 4.0834 8.1563 120.5304 55.5871 18.1691 179.3953 30 H 4.2740 9.0318 115.1276 58.8207 28.7385 177.8469 31 F 4.0458 8.7953 122.9430 61.2671 39.2140 177.0640 32 L 4.1030 8.7440 118.8917 57.9973 41.1099 179.4952 33 A 4.0769 8.2037 120.6595 54.8583 18.0969 179.4711 34 F 4.1300 8.6683 118.9747 61.6562 39.5331 177.3238 35 S 3.7810 7.7953 113.2237 60.7428 62.7500 175.6227 36 A 4.4892 7.9057 120.2118 51.5017 19.4827 176.6891 37 T 4.6947 6.7835 112.5730 60.7858 72.4457 173.2698 38 P 4.1958 0.0000 0.0000 63.5489 31.6003 176.4893 39 W 4.4983 7.5492 129.5409 58.5527 30.8987 175.4204 40 L 3.5024 9.0887 123.2054 54.8985 38.8797 174.2176 41 H 4.2683 7.7998 121.5287 56.4089 29.3073 174.5543 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 A 8.26 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 3.82 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 1.21 0.00 0.00 3 L 7.85 4.80 0.00 1.60 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.15 4.08 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 1.21 0.00 0.00 5 A 8.63 3.96 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 6 E 8.10 4.01 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 7 Q 7.93 3.98 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 8 S 8.64 4.09 0.00 3.87 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 9 E 8.24 3.99 0.00 2.20 2.01 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 2.49 2.51 0.00 10 E 8.18 4.04 0.00 2.14 2.11 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 2.42 2.38 0.00 11 L 8.31 4.19 0.00 1.75 1.91 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.66 4.26 0.00 3.47 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.05 3.88 0.00 2.07 1.75 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.66 7.81 14 Y 8.24 3.83 0.00 3.30 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 15 V 7.68 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.03 0.00 0.00 16 I 8.18 3.64 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.88 0.00 0.00 17 D 8.39 4.42 0.00 2.79 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 18 G 8.79 3.67 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 0.00 0.00 0.00 19 T 8.32 3.96 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 R 8.26 3.96 0.00 2.03 1.99 0.00 3.25 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 21 V 7.99 3.56 2.32 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 1.02 0.00 0.00 1.03 0.00 0.00 22 F 8.30 3.87 0.00 3.36 3.21 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 0.00 23 L 8.80 4.14 0.00 1.83 1.92 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.60 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 0.00 0.00 0.00 25 L 8.01 3.99 0.00 1.59 1.59 0.87 0.54 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 26 A 8.10 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.02 0.00 1.86 1.79 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.91 3.66 2.22 0.00 0.00 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 0.94 0.00 0.00 29 A 8.16 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.03 4.27 0.00 3.40 3.64 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.80 4.05 0.00 3.29 3.32 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 0.00 32 L 8.74 4.10 0.00 1.96 1.78 0.97 0.83 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 33 A 8.20 4.08 1.47 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 34 F 8.67 4.13 0.00 2.74 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 35 S 7.80 3.78 0.00 3.82 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 36 A 7.91 4.49 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 37 T 6.78 4.69 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 38 P 0.00 4.20 0.00 2.17 2.05 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 39 W 7.55 4.50 0.00 3.24 3.21 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 0.00 40 L 9.09 3.50 0.00 1.53 1.67 0.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.80 4.27 0.00 3.24 3.25 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00