NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4527 8.3044 120.3295 54.4659 33.4357 174.7860 2 K 3.7420 8.6430 122.3529 55.1777 32.7665 174.6094 3 K 4.8865 9.2550 126.2993 55.9639 36.1883 174.2412 4 Y 4.8451 8.5583 119.2190 56.2600 41.3937 174.6793 5 V 4.5935 8.6449 123.4449 61.3858 34.0729 174.4287 6 C 3.2637 9.1183 128.8719 58.7779 31.3528 173.8837 7 T 3.6446 8.1417 124.6392 66.9442 68.5074 176.3247 8 V 3.7225 7.8105 119.7166 65.4472 31.6326 176.2207 9 C 4.6369 8.0072 109.9393 57.2209 30.8222 174.6555 10 G 3.9095 8.8874 109.7196 45.0770 0.0000 173.1558 11 Y 4.1243 7.7731 121.5139 57.8693 40.0936 174.2940 12 E 5.0607 7.8543 126.9583 54.3209 30.9371 174.6218 13 Y 4.4158 9.3571 130.1904 57.7713 40.3077 173.7866 14 D 4.8281 7.7731 126.0566 51.8087 43.1818 174.5267 15 P 4.4139 0.0000 0.0000 65.0498 31.4874 178.1676 16 A 4.2662 8.0158 117.2900 53.7036 18.1860 177.2445 17 E 4.4478 7.6341 113.3310 56.6019 34.0608 175.8437 18 G 4.2214 9.2219 106.6506 45.6851 0.0000 176.0624 19 D 4.9651 9.2518 114.9513 52.7423 41.9981 172.8777 20 P 4.3069 0.0000 0.0000 66.2217 32.1711 178.7651 21 D 5.0465 8.0004 114.3944 53.8191 39.0186 176.2605 22 N 5.0027 8.5319 116.7717 53.6578 40.0382 176.9902 23 G 4.0121 8.6788 108.6688 45.9518 0.0000 175.0455 24 V 3.9878 7.4023 120.2463 61.6118 30.7929 175.7643 25 K 4.6018 8.4395 125.7738 55.1586 32.7020 174.6086 26 P 4.3964 0.0000 0.0000 63.6016 32.2802 177.5687 27 G 4.0317 8.9781 108.0864 45.8958 0.0000 174.4584 28 T 3.9577 7.3926 116.3921 63.3400 69.0582 174.3423 29 A 4.6817 8.2848 128.3235 51.1945 19.8597 178.1207 30 F 3.8010 8.5561 120.7717 60.8796 39.2752 176.6734 31 E 3.7652 7.8711 118.0695 58.8039 29.6410 177.5373 32 D 4.3795 7.3548 116.8636 54.4764 41.4165 176.7909 33 V 3.4028 6.6361 119.8706 61.1662 32.2960 173.3332 34 P 3.9951 0.0000 0.0000 62.9082 31.3746 176.6398 35 A 3.8998 8.7499 127.1492 55.2631 18.2410 177.9388 36 D 4.5048 7.9530 113.1240 54.4343 40.1816 176.6420 37 W 4.2263 8.3188 130.4476 58.0769 30.9956 175.0670 38 V 4.5106 7.0168 116.2138 58.8893 35.0392 174.9000 39 C 3.7552 8.9844 122.3464 58.7254 31.6821 173.1211 40 P 3.9727 0.0000 0.0000 64.4558 31.0902 177.0163 41 I 4.2445 7.1239 109.4709 61.0548 38.6926 175.9639 42 C 4.5738 7.4612 112.9305 57.4607 31.3648 175.5144 43 G 3.8808 8.3414 110.2843 45.8659 0.0000 174.3538 44 A 4.0082 7.2770 122.5434 51.9010 18.9897 175.7884 45 P 4.7992 0.0000 0.0000 61.4525 33.6301 177.0116 46 K 3.9768 8.6397 116.5631 59.5349 32.0036 179.7372 47 S 4.2733 8.1848 112.5091 60.9974 63.3257 174.5666 48 E 4.5365 8.4577 120.0748 56.4145 29.1256 175.5735 49 F 5.3941 8.2124 118.2446 56.5431 41.4643 174.7071 50 E 5.0039 8.9733 117.5733 54.3119 34.2410 173.5426 51 P 3.5999 0.0000 0.0000 62.2895 32.1383 176.4942 52 A 4.0860 8.2532 126.3214 52.4287 18.4693 177.1383 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 4.45 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 2 K 8.64 3.74 0.00 1.85 1.89 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.44 7.81 3 K 9.26 4.89 0.00 2.02 1.89 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.54 7.81 4 Y 8.56 4.85 0.00 2.34 2.76 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 5 V 8.64 4.59 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 0.89 0.00 0.00 0.90 0.00 0.00 6 C 9.12 3.26 0.00 2.22 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 7 T 8.14 3.64 4.58 0.00 0.00 0.00 0.00 0.00 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 8 V 7.81 3.72 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 0.79 0.00 0.00 0.92 0.00 0.00 9 C 8.01 4.64 0.00 3.08 2.95 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 0.00 0.00 0.00 10 G 8.89 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 11 Y 7.77 4.12 0.00 3.07 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 12 E 7.85 5.06 0.00 1.87 1.65 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 0.00 2.23 2.24 0.00 13 Y 9.36 4.42 0.00 3.55 2.82 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 14 D 7.77 4.83 0.00 2.53 2.26 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 15 P 0.00 4.41 0.00 2.22 2.29 0.00 3.92 0.00 0.00 3.85 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 16 A 8.02 4.27 1.27 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 0.00 0.00 0.00 17 E 7.63 4.45 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 18 G 9.22 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.25 4.97 0.00 3.24 3.07 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 0.00 0.00 0.00 20 P 0.00 4.31 0.00 2.28 2.12 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 21 D 8.00 5.05 0.00 2.82 2.80 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 22 N 8.53 5.00 0.00 3.21 2.90 0.00 0.00 7.01 7.82 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 23 G 8.68 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 24 V 7.40 3.99 2.31 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 0.89 0.00 0.00 1.01 0.00 0.00 25 K 8.44 4.60 0.00 1.70 1.75 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.48 7.81 26 P 0.00 4.40 0.00 2.11 2.35 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00 27 G 8.98 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 28 T 7.39 3.96 4.33 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 1.15 0.00 0.00 29 A 8.28 4.68 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 30 F 8.56 3.80 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.87 3.77 0.00 1.90 1.86 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 2.18 2.29 0.00 32 D 7.35 4.38 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.64 3.40 1.08 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 -0.31 0.00 0.00 0.24 0.00 0.00 34 P 0.00 4.00 0.00 2.27 2.10 0.00 3.49 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 35 A 8.75 3.90 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 36 D 7.95 4.50 0.00 2.80 2.81 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 37 W 8.32 4.23 0.00 3.23 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 38 V 7.02 4.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.63 0.00 0.00 39 C 8.98 3.76 0.00 3.10 2.81 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 40 P 0.00 3.97 0.00 1.77 1.95 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 41 I 7.12 4.24 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.45 0.91 0.00 0.00 42 C 7.46 4.57 0.00 3.02 3.06 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 43 G 8.34 3.88 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 0.00 0.00 0.00 44 A 7.28 4.01 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 45 P 0.00 4.80 0.00 2.30 2.27 0.00 3.78 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 2.15 2.03 0.00 46 K 8.64 3.98 0.00 1.72 1.58 0.00 1.18 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.57 7.81 47 S 8.18 4.27 0.00 4.04 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 48 E 8.46 4.54 0.00 2.11 2.06 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 2.43 2.50 0.00 49 F 8.21 5.39 0.00 3.18 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 50 E 8.97 5.00 0.00 1.92 1.81 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 2.34 2.49 0.00 51 P 0.00 3.60 0.00 1.77 1.64 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 52 A 8.25 4.09 1.21 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 0.00 0.00