NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7435 8.3049 118.1950 54.6966 34.3812 174.1681 2 K 4.2470 7.4037 123.7772 56.3210 37.6906 176.9907 3 A 4.4794 9.7037 135.0000 53.6557 20.5042 179.6370 4 K 3.6773 8.1150 114.4693 58.9596 32.7672 177.4635 5 E 4.5893 7.3037 120.2371 54.4821 28.3321 176.7604 6 L 4.4277 7.7719 117.8551 54.4902 46.3378 176.7610 7 R 3.8125 8.7853 124.7546 57.9943 28.3703 176.3174 8 E 4.4541 7.7936 111.0578 55.1004 29.5547 173.9992 9 K 3.5372 8.0271 122.8114 56.9729 31.6348 174.9058 10 S 4.2970 8.5477 120.8574 61.3984 62.0058 175.4864 11 V 3.8139 7.7059 118.4327 64.5399 31.5661 176.7782 12 E 4.2525 8.5158 118.4311 59.6528 29.6208 178.1202 13 E 4.3044 7.8804 119.2871 58.4200 28.8800 179.6548 14 L 3.9945 7.7988 118.7590 57.8803 41.9585 178.0564 15 N 4.8072 7.9886 112.7818 54.0245 38.5244 175.9899 16 T 4.2971 7.5196 116.4697 65.8579 69.4956 177.2914 17 E 4.2253 7.9784 119.9366 58.6597 29.8489 178.9536 18 L 3.9434 7.4695 119.5104 57.4159 42.0772 177.4790 19 L 4.5740 7.8789 115.7173 54.6087 42.4032 177.1591 20 N 4.5372 7.9309 117.9100 56.0612 38.8895 176.8952 21 L 4.3873 7.7070 114.8572 55.2677 42.2678 178.9270 22 L 4.3027 7.3585 121.0800 54.6607 42.7828 177.1340 23 R 3.8771 8.8098 113.9681 59.7410 30.1064 178.0763 24 E 4.2693 8.1710 115.1513 57.7940 29.9891 177.0351 25 Q 4.4250 7.8204 117.9077 56.3036 31.6173 176.9674 26 F 4.0763 9.4948 120.0216 61.5019 39.8223 176.8693 27 N 4.4079 8.4014 115.8776 55.7102 38.2189 177.2838 28 L 4.0161 7.8898 121.7548 57.8765 41.9341 177.9454 29 R 4.5511 7.5325 115.8394 56.3102 28.7399 176.2954 30 M 4.6040 7.8009 116.9724 55.1787 32.9517 176.6131 31 Q 4.3185 7.7721 115.6591 55.5196 30.9275 177.3099 32 A 4.0848 8.0152 117.1097 52.9222 18.4535 177.0460 33 A 4.5742 8.2749 119.6331 54.7431 23.2947 179.1559 34 S 4.1989 7.6139 107.3245 58.8934 63.1192 174.6795 35 G 4.0340 7.6804 108.3913 46.5258 0.0000 173.0128 36 Q 4.4222 7.0410 115.3781 54.9507 33.2242 171.8700 37 L 3.5497 8.5190 128.0626 54.7423 41.5114 174.6221 38 Q 4.3719 8.5269 120.9515 56.0715 29.5843 176.9913 39 Q 4.2674 7.6170 118.2153 55.2146 27.1350 176.3541 40 S 4.0775 8.5029 119.6313 61.7640 63.3505 176.3425 41 H 4.4009 8.1491 114.5215 56.9451 27.8177 176.9383 42 L 3.8653 7.6129 123.9704 58.3466 42.0583 178.0392 43 L 4.1002 7.1057 116.4863 57.8934 41.5603 179.0471 44 K 4.0290 8.0976 118.5787 59.2740 32.1428 176.7663 45 Q 4.2518 8.5575 117.7683 55.9558 29.4552 176.4292 46 V 3.4079 8.4122 114.8301 63.6689 29.9887 171.8605 47 R 4.4113 7.0230 114.9593 56.1018 33.2050 177.4753 48 R 3.8066 7.2214 115.7239 59.9365 30.7138 178.3405 49 D 4.4548 8.0778 117.5394 56.8436 40.4653 178.5579 50 V 3.6533 8.7802 119.6323 65.0946 31.5147 177.1928 51 A 3.9170 7.8848 119.4084 53.8192 18.3167 179.0686 52 R 4.1647 8.0761 117.1043 58.1131 30.6802 178.4102 53 V 3.8171 7.7621 115.1054 64.2339 31.7481 176.1996 54 K 4.4166 7.4038 115.6087 59.0961 33.7845 178.0760 55 T 3.8483 8.0431 116.0361 66.8793 68.3165 176.4917 56 L 4.1926 7.8222 118.2556 56.3252 42.1148 178.1795 57 L 4.3393 7.8179 120.0563 56.0687 42.3076 177.5780 58 N 4.5757 8.0739 116.5172 55.9023 38.6040 176.3571 59 E 4.2994 7.9974 115.7724 57.2981 29.7316 176.3313 60 K 4.2175 7.3112 119.7009 56.8427 32.7416 176.3109 61 A 4.2295 7.8572 121.7675 51.8953 18.5033 178.7964 62 G 4.1781 9.8083 113.2789 46.1643 0.0000 172.7526 63 A 4.1693 7.8554 126.0293 52.3934 19.3577 175.5203 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 M 8.30 4.74 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.40 4.25 0.00 1.80 0.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.70 4.48 1.29 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 0.00 0.00 4 K 8.11 3.68 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.53 7.81 5 E 7.30 4.59 0.00 1.78 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 2.32 2.44 0.00 6 L 7.77 4.43 0.00 1.70 1.53 0.92 0.87 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 7 R 8.79 3.81 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 E 7.79 4.45 0.00 2.06 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 2.15 2.19 0.00 9 K 8.03 3.54 0.00 1.98 2.04 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 S 8.55 4.30 0.00 3.92 3.86 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 11 V 7.71 3.81 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.52 4.25 0.00 2.18 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 2.29 2.44 0.00 13 E 7.88 4.30 0.00 2.11 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 2.33 2.37 0.00 14 L 7.80 3.99 0.00 1.70 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.99 4.81 0.00 2.75 2.83 0.00 0.00 7.04 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 16 T 7.52 4.30 4.38 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 1.21 0.00 0.00 17 E 7.98 4.23 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 18 L 7.47 3.94 0.00 1.85 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.88 4.57 0.00 1.79 1.67 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.93 4.54 0.00 2.99 2.84 0.00 0.00 7.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.71 4.39 0.00 1.66 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.36 4.30 0.00 1.89 1.59 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.81 3.88 0.00 1.93 2.37 0.00 3.46 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 24 E 8.17 4.27 0.00 1.98 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 2.33 2.31 0.00 25 Q 7.82 4.43 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 26 F 9.49 4.08 0.00 3.08 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 27 N 8.40 4.41 0.00 3.11 2.89 0.00 0.00 6.74 6.68 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 28 L 7.89 4.02 0.00 1.72 1.71 0.97 0.98 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 29 R 7.53 4.55 0.00 1.89 1.79 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 30 M 7.80 4.60 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 31 Q 7.77 4.32 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 32 A 8.02 4.08 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.27 4.57 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.61 4.20 0.00 3.95 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 35 G 7.68 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 36 Q 7.04 4.42 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.02 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 37 L 8.52 3.55 0.00 1.95 1.67 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.53 4.37 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.37 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 39 Q 7.62 4.27 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 40 S 8.50 4.08 0.00 3.89 3.93 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 41 H 8.15 4.40 0.00 3.56 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.61 3.87 0.00 1.88 1.68 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.11 4.10 0.00 1.76 1.73 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.10 4.03 0.00 1.88 2.05 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 8.56 4.25 0.00 2.42 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 5.88 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 46 V 8.41 3.41 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 0.81 0.00 0.00 1.05 0.00 0.00 47 R 7.02 4.41 0.00 2.06 1.81 0.00 3.19 0.00 0.00 3.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 7.22 3.81 0.00 1.90 2.01 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 49 D 8.08 4.45 0.00 2.69 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 50 V 8.78 3.65 2.17 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 1.06 0.00 0.00 1.02 0.00 0.00 51 A 7.88 3.92 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 52 R 8.08 4.16 0.00 2.08 1.97 0.00 3.25 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 53 V 7.76 3.82 2.33 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 0.94 0.00 0.00 1.01 0.00 0.00 54 K 7.40 4.42 0.00 1.70 1.78 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.67 7.81 55 T 8.04 3.85 4.30 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 1.21 0.00 0.00 56 L 7.82 4.19 0.00 1.80 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.82 4.34 0.00 1.70 1.72 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.07 4.58 0.00 3.06 2.84 0.00 0.00 6.60 6.95 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 59 E 8.00 4.30 0.00 2.12 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 2.38 2.36 0.00 60 K 7.31 4.22 0.00 1.86 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.42 1.38 7.81 61 A 7.86 4.23 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 62 G 9.81 4.18 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 0.00 0.00 0.00 63 A 7.86 4.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00