NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9942 8.2133 109.7363 44.9950 0.0000 174.2540 2 S 4.8552 7.3259 116.1343 53.5620 65.1762 173.6290 3 P 4.6512 0.0000 0.0000 62.0608 29.3863 176.5485 4 R 4.0565 8.1651 123.7970 60.2865 29.4677 178.8619 5 T 3.8610 7.9606 116.2416 66.8560 68.2972 175.9207 6 E 4.0295 7.8735 118.4278 59.4665 29.5790 178.6989 7 Y 4.4640 7.8403 119.1213 60.7423 39.0774 177.0978 8 E 3.7043 8.6178 119.4645 59.2781 29.3979 179.2975 9 A 4.0410 8.4318 121.1245 54.7199 18.4661 178.6572 10 C 4.2713 8.3061 117.5347 59.5016 38.7657 175.9520 11 R 3.8241 7.6256 119.4198 58.8171 29.5084 178.6117 12 V 3.7264 7.3608 116.9319 64.8653 31.7669 177.8955 13 R 4.1766 7.6315 117.8408 58.8554 30.3131 177.9101 14 C 4.2543 8.5119 118.9154 59.5927 43.4406 175.2589 15 Q 3.8993 7.5961 118.5786 59.2997 27.9488 178.7723 16 V 3.9628 7.6290 118.3961 63.0968 32.1858 177.6572 17 A 4.1868 7.9675 121.3899 54.4971 18.5556 176.3684 18 E 4.8094 8.0365 113.7577 55.0808 33.4919 174.5953 19 H 4.8321 8.3585 114.1156 53.5072 31.5087 173.8601 20 G 3.8038 7.6374 111.9969 45.3151 0.0000 171.9864 21 V 4.2265 7.9079 116.7201 62.7366 33.8586 177.5374 22 E 3.8913 8.2802 120.3708 59.3356 29.4420 178.9764 23 R 3.9865 7.8771 117.4786 59.1008 30.2517 178.0940 24 Q 3.9317 8.0995 119.0549 59.2463 28.8661 178.1500 25 R 3.8722 8.2449 119.0448 59.8009 30.1835 178.7856 26 R 3.9361 7.7431 117.6174 59.5713 29.9584 178.3133 27 C 4.2813 8.4522 118.4289 59.7660 38.4615 175.3648 28 Q 3.9875 8.1184 119.6574 59.4046 28.1795 179.3177 29 Q 4.0604 7.9907 118.9001 58.5999 28.7271 178.7499 30 V 3.5786 7.5351 119.2585 66.3831 31.5393 177.5531 31 C 4.4314 8.6572 116.6462 59.9639 39.9971 176.1455 32 E 3.7514 8.1709 120.3103 59.2299 29.2420 178.9561 33 K 3.8079 8.3114 119.9660 59.8303 32.2421 178.9618 34 R 3.9498 7.8867 117.8227 58.9462 29.8926 178.6928 35 L 3.9081 7.6383 120.4014 58.1845 42.2966 179.0253 36 R 3.8603 8.1230 116.2701 59.6780 28.9025 178.5225 37 E 4.0230 7.9137 117.7094 58.5194 29.4378 179.0624 38 R 4.0746 7.4805 118.1889 59.2695 30.4597 178.0308 39 E 4.9788 7.8619 117.7153 57.3965 30.1045 177.6940 40 G 3.9118 7.4666 106.3364 43.0296 0.0000 173.4535 41 R 4.0263 8.2182 126.1728 58.4856 30.6892 177.7906 42 R 4.2932 7.2700 112.0715 55.6397 32.8513 173.6703 43 E 4.2494 8.8011 122.6585 56.5752 29.7704 175.1105 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 G 8.21 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.33 4.86 0.00 3.90 3.76 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 3 P 0.00 4.65 0.00 2.28 2.23 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 4 R 8.17 4.06 0.00 2.10 2.29 0.00 3.16 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 5 T 7.96 3.86 4.26 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 1.22 0.00 0.00 6 E 7.87 4.03 0.00 2.20 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 0.00 2.37 2.50 0.00 7 Y 7.84 4.46 0.00 2.99 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 8 E 8.62 3.70 0.00 2.03 1.95 0.00 0.00 0.00 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 2.53 0.00 9 A 8.43 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 10 C 8.31 4.27 0.00 3.22 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 11 R 7.63 3.82 0.00 1.66 1.79 0.00 2.21 0.00 0.00 2.85 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.00 12 V 7.36 3.73 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 0.90 0.00 0.00 0.93 0.00 0.00 13 R 7.63 4.18 0.00 1.90 1.93 0.00 3.34 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 14 C 8.51 4.25 0.00 2.95 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 3.90 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 16 V 7.63 3.96 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 0.96 0.00 0.00 0.93 0.00 0.00 17 A 7.97 4.19 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 18 E 8.04 4.81 0.00 1.92 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 2.21 2.20 0.00 19 H 8.36 4.83 0.00 3.18 3.23 0.00 5.79 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 20 G 7.64 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 0.00 0.00 0.00 21 V 7.91 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 22 E 8.28 3.89 0.00 2.04 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 0.00 2.37 2.40 0.00 23 R 7.88 3.99 0.00 1.83 2.10 0.00 3.55 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 24 Q 8.10 3.93 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 25 R 8.24 3.87 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 26 R 7.74 3.94 0.00 1.91 1.99 0.00 3.34 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 1.72 1.79 0.00 27 C 8.45 4.28 0.00 3.09 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 28 Q 8.12 3.99 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 29 Q 7.99 4.06 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 30 V 7.54 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 1.04 0.00 0.00 0.98 0.00 0.00 31 C 8.66 4.43 0.00 3.12 3.29 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 32 E 8.17 3.75 0.00 2.24 1.92 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 1.96 2.71 0.00 33 K 8.31 3.81 0.00 1.87 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 34 R 7.89 3.95 0.00 2.08 1.98 0.00 3.21 0.00 0.00 3.12 7.56 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 L 7.64 3.91 0.00 1.66 1.64 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.12 3.86 0.00 2.01 2.11 0.00 2.80 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 37 E 7.91 4.02 0.00 2.25 2.05 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 2.36 2.45 0.00 38 R 7.48 4.07 0.00 1.92 2.10 0.00 3.32 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 E 7.86 4.98 0.00 2.24 2.05 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 2.26 2.32 0.00 40 G 7.47 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.03 0.00 1.81 2.00 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 42 R 7.27 4.29 0.00 1.70 1.75 0.00 3.34 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 43 E 8.80 4.25 0.00 2.04 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 2.15 2.27 0.00