NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4844 0.0000 0.0000 62.3488 33.6231 174.8887 2 I 4.8778 8.2943 122.8911 59.0886 40.0217 173.0333 3 A 4.7839 9.4853 129.8915 49.9754 22.2407 174.4096 4 Q 4.9168 8.6816 122.6107 54.3720 31.5521 174.3983 5 I 4.4758 8.8104 127.9719 59.8488 39.9414 174.3008 6 H 5.3125 8.8000 124.2769 54.2696 29.9079 174.2504 7 I 4.6391 8.2744 116.4845 58.5979 41.2953 174.8752 8 L 4.6519 8.3263 123.0342 54.2832 42.2479 176.9802 9 E 4.5019 8.0804 120.7722 56.6888 29.9219 176.1160 10 G 3.6129 8.7818 108.8668 45.6039 0.0000 174.5571 11 R 4.4422 7.6415 119.3910 55.2802 31.6063 176.8005 12 S 4.5198 8.2746 116.0972 57.8191 65.5361 175.2038 13 D 4.3892 8.5225 121.7721 57.3880 40.4816 178.9996 14 E 3.9318 8.0767 118.6521 59.5923 29.5261 179.0459 15 Q 4.0155 7.8027 117.8014 59.1731 28.7883 179.3996 16 K 3.9778 8.0125 118.8922 59.1667 31.9065 179.1055 17 E 3.9908 8.1686 119.9375 59.2835 29.4351 179.0502 18 T 3.9013 8.0357 116.0323 66.2765 68.5682 176.3766 19 L 3.9225 8.1075 122.5476 58.4835 42.0191 179.1392 20 I 3.6909 7.7160 119.5185 64.2765 36.9989 178.5262 21 R 3.8776 7.7004 119.6039 59.3326 30.0401 178.2264 22 E 3.9489 8.4345 118.7904 59.6000 29.5319 179.6566 23 V 3.6153 7.9128 118.1116 66.1177 31.5640 178.2328 24 S 4.1630 7.9446 114.6376 61.4536 62.5146 176.6527 25 E 3.9099 8.3576 121.1610 59.2668 29.2532 178.9173 26 A 3.9656 8.0098 120.7879 55.3556 18.4277 179.8189 27 I 3.6278 7.8386 118.0168 64.5931 37.3611 178.5851 28 S 4.0715 7.9917 113.9811 61.3475 62.0498 176.0204 29 R 3.8492 8.7222 121.7946 59.6730 29.6840 178.4818 30 S 4.1031 8.0196 113.7754 61.2901 62.9339 175.6084 31 L 4.3989 7.7778 116.4484 53.6442 42.0454 175.5939 32 D 4.3339 7.4888 117.2616 55.3032 40.0395 172.8612 33 A 4.7899 7.5090 118.8064 48.9589 21.5814 175.7185 34 P 4.3103 0.0000 0.0000 62.5454 32.1304 176.9886 35 L 3.8821 8.8943 124.6758 58.5159 41.9310 178.7634 36 T 4.0758 7.8854 106.2843 63.3373 68.7055 174.6176 37 S 4.4476 7.9165 116.2906 58.8392 63.8945 174.3583 38 V 4.0960 7.5761 122.5905 62.7277 32.1861 175.3372 39 R 4.6948 8.9071 126.4132 54.3272 33.1801 174.6377 40 V 4.8758 8.4966 123.1539 61.0525 34.5744 174.5078 41 I 4.5558 8.8551 127.8395 59.6340 40.2438 174.3141 42 I 4.7557 8.3998 127.8022 60.1294 39.1304 175.4810 43 T 4.4984 8.6351 122.3965 61.8444 71.5318 173.0055 44 E 4.8117 8.7734 126.4310 55.9611 31.5326 175.4560 45 M 4.9033 8.7723 122.7178 53.2155 35.2737 175.6573 46 A 4.5261 8.5336 125.3684 51.6836 19.3425 178.6982 47 K 4.1505 8.5292 120.7805 59.1589 32.2652 178.3547 48 G 4.0760 7.9994 105.3114 45.6155 0.0000 173.4288 49 H 4.9604 8.6804 114.7097 54.9056 29.7120 173.4418 50 F 5.0459 8.1726 122.5252 56.2953 41.4500 173.7034 51 G 4.1635 8.3568 116.3591 43.5144 0.0000 172.1528 52 I 4.1118 8.2200 122.5484 59.9625 39.6547 176.1260 53 G 3.9612 9.5527 113.9168 46.5777 0.0000 174.0585 54 G 3.9277 8.7861 105.6092 44.9577 0.0000 173.8200 55 E 4.6915 7.6518 117.7858 53.6375 33.4114 175.2087 56 L 4.3096 8.4517 121.1723 55.1587 42.5023 178.5795 57 A 3.9810 8.9251 126.0498 55.0791 18.7381 180.0179 58 S 4.1442 8.2362 109.8110 61.5687 62.8450 175.4279 59 K 4.3687 7.6917 117.5398 56.2198 32.0151 177.2688 60 V 4.0284 7.6632 124.8344 61.8802 31.4676 175.0524 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.62 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 2.00 2.12 0.00 2 I 8.29 4.88 1.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.49 4.78 1.18 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 4 Q 8.68 4.92 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.64 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 5 I 8.81 4.48 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.88 0.00 0.00 6 H 8.80 5.31 0.00 2.90 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.27 4.64 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.86 0.00 0.00 8 L 8.33 4.65 0.00 1.53 1.63 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.08 4.50 0.00 1.97 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 0.00 2.31 2.11 0.00 10 G 8.78 3.61 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 0.00 0.00 0.00 11 R 7.64 4.44 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 12 S 8.27 4.52 0.00 3.99 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 13 D 8.52 4.39 0.00 2.78 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 14 E 8.08 3.93 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.80 4.02 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.01 3.98 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.17 3.99 0.00 2.30 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 T 8.04 3.90 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 19 L 8.11 3.92 0.00 1.82 1.84 0.91 1.35 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 20 I 7.72 3.69 2.00 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 1.39 1.23 0.90 0.00 0.00 21 R 7.70 3.88 0.00 1.82 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.43 3.95 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 23 V 7.91 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 24 S 7.94 4.16 0.00 4.11 3.89 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 0.00 0.00 0.00 25 E 8.36 3.91 0.00 2.11 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 2.51 2.46 0.00 26 A 8.01 3.97 1.38 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 0.00 0.00 0.00 27 I 7.84 3.63 1.87 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 1.40 0.96 0.91 0.00 0.00 28 S 7.99 4.07 0.00 3.90 4.08 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 0.00 0.00 0.00 0.00 29 R 8.72 3.85 0.00 2.12 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.02 4.10 0.00 3.94 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 31 L 7.78 4.40 0.00 1.65 1.69 0.92 1.07 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 32 D 7.49 4.33 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.79 1.24 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.23 2.20 0.00 3.72 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 2.07 1.95 0.00 35 L 8.89 3.88 0.00 1.74 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.89 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 37 S 7.92 4.45 0.00 3.98 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 38 V 7.58 4.10 2.16 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.91 4.69 0.00 1.81 1.77 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 40 V 8.50 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.86 4.56 1.84 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 1.21 0.58 0.87 0.00 0.00 42 I 8.40 4.76 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.87 0.00 0.00 43 T 8.64 4.50 3.97 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 0.00 0.00 1.21 0.00 0.00 44 E 8.77 4.81 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 2.35 2.31 0.00 45 M 8.77 4.90 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 46 A 8.53 4.53 1.11 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 0.00 0.00 47 K 8.53 4.15 0.00 1.78 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.46 7.81 48 G 8.00 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.68 4.96 0.00 3.27 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.17 5.05 0.00 2.98 2.91 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 51 G 8.36 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 0.00 0.00 0.00 52 I 8.22 4.11 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.39 0.83 0.00 0.00 53 G 9.55 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.79 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 0.00 0.00 0.00 55 E 7.65 4.69 0.00 1.93 1.74 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 2.19 2.21 0.00 56 L 8.45 4.31 0.00 1.69 1.61 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.93 3.98 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 58 S 8.24 4.14 0.00 4.00 4.20 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 0.00 0.00 0.00 59 K 7.69 4.37 0.00 1.74 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.36 7.81 60 V 7.66 4.03 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 0.71 0.00 0.00 0.92 0.00 0.00