NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4087 8.3044 120.3485 55.1777 33.3117 174.7623 2 V 3.4405 8.7547 126.7034 64.9827 31.6753 174.3656 3 I 4.2172 7.9546 124.1353 59.4675 39.0293 174.6005 4 A 4.5600 8.6013 129.0882 50.6117 20.6308 178.1734 5 T 3.8958 8.3949 115.8388 66.8584 68.4839 176.3671 6 D 4.8036 7.8936 117.3394 54.0586 39.8475 176.3103 7 D 4.6903 7.8048 118.9855 54.8535 41.7890 176.7556 8 L 4.7449 7.6410 118.6724 55.2913 43.9997 176.2183 9 E 5.2692 8.5368 116.4606 54.8626 33.4188 174.4605 10 T 4.8797 8.7597 113.7212 59.7596 71.5402 173.1572 11 T 4.0394 8.5685 114.2332 60.9475 69.4652 172.8507 12 C 4.3501 8.6375 126.0864 58.9516 32.1125 172.7916 13 P 4.3913 0.0000 0.0000 65.4536 31.4503 176.8857 14 N 4.5273 8.1038 115.6214 54.9888 38.7906 173.8652 15 C 4.5785 7.5116 110.1367 58.3873 31.8995 174.9829 16 N 4.5241 7.7043 117.0892 53.4178 36.5776 175.3008 17 G 4.3419 8.9419 111.0520 46.5626 0.0000 176.8931 18 S 4.0417 8.5019 114.9301 58.9898 63.0414 174.8048 19 G 4.7106 7.8303 108.7097 45.0718 0.0000 172.7166 20 R 5.0025 7.3192 116.2112 54.8182 34.4557 175.3426 21 E 4.4044 8.8712 117.7782 60.4680 29.7574 176.6787 22 E 3.4674 7.4271 114.3087 55.8436 27.3807 174.7633 23 P 4.6180 0.0000 0.0000 62.8371 32.7566 175.4068 24 E 4.5435 7.5866 119.8710 54.6252 31.8926 173.2424 25 P 4.7436 0.0000 0.0000 62.4418 32.7114 175.3711 26 C 4.2055 8.4587 120.6793 58.9431 32.1833 172.4992 27 P 4.3269 0.0000 0.0000 66.0006 31.4078 178.5470 28 K 3.8983 8.2550 118.0265 58.3564 32.1125 177.5684 29 C 4.6849 8.0109 110.6449 56.8938 29.8238 173.6214 30 L 3.9304 8.2566 116.8671 54.7135 39.0898 175.8231 31 G 4.5017 8.2906 107.0841 45.4152 0.0000 175.9878 32 K 4.0267 8.4090 119.0171 56.9102 32.4710 178.6013 33 G 3.9221 8.4176 106.3098 45.8569 0.0000 172.9966 34 V 4.8429 7.3928 110.4971 59.4330 35.7563 174.6996 35 I 4.5887 8.4869 117.1387 58.9010 40.7708 174.7399 36 L 4.7824 8.4013 122.8643 54.9853 42.5997 176.9776 37 T 4.4201 8.4302 112.8068 60.3627 71.3319 175.6461 38 A 3.9610 8.6216 122.5581 55.3345 18.2030 179.4726 39 Q 3.9745 8.0936 117.6087 59.2342 29.2388 178.6126 40 G 3.5449 8.2636 106.7891 47.9296 0.0000 175.4656 41 S 4.1443 8.8928 117.4761 61.2556 62.3195 176.2652 42 T 3.8958 8.3981 118.6161 66.7701 68.2417 176.4918 43 L 4.0615 8.1053 120.7281 57.7509 41.6770 179.3545 44 L 3.9874 8.1020 120.2548 58.4794 41.8189 178.5065 45 H 4.1403 8.2678 117.0681 59.0798 30.2109 176.7516 46 F 4.4114 8.3730 122.4412 61.4473 39.3347 176.9020 47 I 3.3763 8.0053 119.3584 64.5496 36.7943 178.6936 48 K 4.2151 7.9133 117.1904 58.7977 31.8495 178.8135 49 K 4.0185 7.4915 118.7720 58.1789 32.5829 177.3220 50 H 4.7109 7.4183 113.8155 55.3655 30.8201 175.1867 51 I 3.6663 8.2163 121.0785 61.7195 37.3811 175.5847 52 H 3.9347 8.4711 112.5117 56.4386 28.0109 174.5419 53 E 4.0851 7.6539 122.9570 57.6313 29.7786 174.2571 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 V 8.75 3.44 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 0.82 0.00 0.00 0.92 0.00 0.00 3 I 7.95 4.22 1.87 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 1.34 0.78 0.91 0.00 0.00 4 A 8.60 4.56 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.39 3.90 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 6 D 7.89 4.80 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 7 D 7.80 4.69 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.64 4.74 0.00 1.75 1.69 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.54 5.27 0.00 2.12 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 2.42 2.26 0.00 10 T 8.76 4.88 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 1.26 0.00 0.00 11 T 8.57 4.04 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 12 C 8.64 4.35 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 N 8.10 4.53 0.00 2.69 2.88 0.00 0.00 6.72 7.65 0.00 0.00 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 C 7.51 4.58 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 4.52 0.00 2.84 3.32 0.00 0.00 7.40 7.53 0.00 0.00 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 G 8.94 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 0.00 0.00 0.00 0.00 18 S 8.50 4.04 0.00 4.01 4.16 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 19 G 7.83 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.32 5.00 0.00 1.67 1.82 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 21 E 8.87 4.40 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 22 E 7.43 3.47 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 23 P 0.00 4.62 0.00 2.17 2.15 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 24 E 7.59 4.54 0.00 2.05 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 2.34 2.28 0.00 25 P 0.00 4.74 0.00 2.17 2.04 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 26 C 8.46 4.21 0.00 3.06 2.85 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 0.00 0.00 0.00 27 P 0.00 4.33 0.00 2.26 2.28 0.00 3.76 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 2.07 2.04 0.00 28 K 8.25 3.90 0.00 1.77 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 C 8.01 4.68 0.00 3.21 3.10 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 0.00 0.00 0.00 0.00 30 L 8.26 3.93 0.00 1.72 1.75 0.98 0.94 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 31 G 8.29 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.03 0.00 1.95 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 33 G 8.42 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.39 4.84 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 0.82 0.00 0.00 0.96 0.00 0.00 35 I 8.49 4.59 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.91 0.00 0.00 36 L 8.40 4.78 0.00 1.57 1.72 0.94 0.86 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 37 T 8.43 4.42 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 38 A 8.62 3.96 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 39 Q 8.09 3.97 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 8.26 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.14 0.00 3.82 4.09 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 0.00 0.00 0.00 42 T 8.40 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 43 L 8.11 4.06 0.00 1.73 1.79 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.10 3.99 0.00 1.89 1.85 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.27 4.14 0.00 3.33 3.38 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.37 4.41 0.00 3.19 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 47 I 8.01 3.38 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.75 0.87 0.00 0.00 48 K 7.91 4.22 0.00 1.84 1.80 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 K 7.49 4.02 0.00 1.83 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.34 7.81 50 H 7.42 4.71 0.00 2.68 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.22 3.67 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.95 0.00 0.00 52 H 8.47 3.93 0.00 3.35 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.65 4.09 0.00 2.23 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 2.21 2.26 0.00