NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8422 8.3549 109.7360 45.2526 0.0000 173.2239 2 K 4.2426 8.3959 120.6039 52.4056 32.9811 174.7926 3 K 4.3371 8.2653 124.0840 55.8729 35.0976 177.0396 4 S 4.5703 8.1650 116.3819 57.1826 65.9143 175.0870 5 K 3.9385 8.4405 121.4030 59.4326 31.8044 178.4523 6 A 3.9747 7.8725 120.6789 55.3932 18.4167 179.3635 7 T 3.8134 7.6689 113.9952 66.8254 68.4622 176.5936 8 K 3.9191 8.1211 121.3004 59.4390 32.1168 179.0067 9 K 3.9733 7.8070 118.6642 59.4601 31.8916 179.5569 10 R 3.9323 8.0361 118.3163 59.2601 30.0000 179.0915 11 L 3.9652 8.2981 118.8738 57.5971 41.6048 179.2531 12 A 3.9760 8.1885 120.8704 55.1594 18.3370 179.4393 13 K 3.8238 8.3628 118.2465 59.8378 32.1881 178.7212 14 L 4.1808 8.2134 119.4173 58.0459 41.2902 179.1488 15 D 4.3419 7.9787 117.0105 57.2388 41.2361 177.5338 16 N 4.4598 7.9396 116.7154 56.8604 39.3275 176.6695 17 Q 4.1827 8.5708 119.8011 58.6182 28.4255 177.5235 18 N 4.5614 7.6707 116.4310 53.6164 39.5401 174.5333 19 S 4.6238 7.7042 114.3336 56.1534 65.3809 172.8719 20 R 4.2800 7.9878 120.5286 54.5891 31.2062 175.5340 21 V 3.6752 7.9850 120.8866 61.2047 31.7154 173.8581 22 P 4.2019 0.0000 0.0000 62.7996 31.3817 176.9317 23 A 4.0017 8.7419 123.1140 55.2195 18.7128 180.0617 24 W 4.2825 8.1484 113.1989 59.6085 28.3151 178.6574 25 V 3.3662 6.7321 118.7893 65.8470 30.7926 177.8540 26 M 4.0290 7.5979 118.3889 58.2084 31.6784 178.7867 27 L 3.9973 7.7087 118.5868 57.6780 41.9108 179.1696 28 K 4.0945 8.5440 118.6037 58.5665 32.0479 177.2410 29 T 4.4941 7.4145 106.8424 60.4438 68.8966 173.4050 30 D 4.3100 8.9718 119.5206 55.4556 39.1690 170.2903 31 R 3.7396 8.2639 123.9012 55.4886 30.9174 176.5493 *35 R 3.7910 8.3628 119.5381 56.0929 30.7953 174.8538 36 N 4.5503 8.4034 122.5048 52.3088 38.3014 174.0945 37 H 4.5619 8.4671 121.7118 56.7312 28.9368 176.2937 38 K 4.6138 8.2103 119.4664 55.9256 32.5675 176.3757 39 R 4.1068 8.0180 118.5071 55.9353 30.5462 176.1649 40 R 4.5360 8.4265 122.4253 54.5972 32.8813 173.6986 41 H 4.8304 8.5461 124.8059 54.1010 31.3024 175.5887 42 W 4.1977 8.5218 123.3668 59.5124 28.0176 177.3327 43 R 3.7686 5.8400 117.7905 58.4494 29.7497 177.5852 44 R 3.8790 7.7375 115.7463 58.2617 30.2498 176.2833 45 N 4.9122 7.7870 114.0414 51.3720 41.0713 173.4180 46 D 4.5857 8.1486 117.8837 53.0839 43.6818 175.0626 47 T 4.2855 8.3735 116.9079 60.8075 70.1932 173.3904 48 D 4.5945 8.1935 122.0452 54.2548 42.1625 176.8087 49 E 4.1302 8.6359 118.4430 57.0347 28.9550 174.8757 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 8.35 3.84 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 0.00 0.00 0.00 2 K 8.40 4.24 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 K 8.27 4.34 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.16 4.57 0.00 4.07 4.05 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 0.00 0.00 0.00 5 K 8.44 3.94 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.87 3.97 1.32 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 0.00 0.00 7 T 7.67 3.81 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.12 3.92 0.00 1.94 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.81 3.97 0.00 1.93 1.84 0.00 1.72 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 1.46 1.77 7.81 10 R 8.04 3.93 0.00 2.06 1.98 0.00 3.39 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 L 8.30 3.97 0.00 1.81 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.19 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.82 0.00 1.81 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 8.21 4.18 0.00 1.92 1.73 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.98 4.34 0.00 2.67 2.89 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 16 N 7.94 4.46 0.00 2.79 2.98 0.00 0.00 7.28 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 17 Q 8.57 4.18 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 18 N 7.67 4.56 0.00 2.89 3.00 0.00 0.00 7.11 8.97 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 19 S 7.70 4.62 0.00 4.03 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 20 R 7.99 4.28 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 21 V 7.98 3.68 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 0.68 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.20 0.00 1.68 2.15 0.00 3.51 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 1.25 1.67 0.00 23 A 8.74 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 4.28 0.00 3.62 3.33 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 25 V 6.73 3.37 1.75 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 0.77 0.00 0.00 -0.42 0.00 0.00 26 M 7.60 4.03 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 27 L 7.71 4.00 0.00 1.92 1.76 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.54 4.09 0.00 2.00 2.15 0.00 2.09 0.00 0.00 2.03 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.57 7.81 29 T 7.41 4.49 4.23 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 1.27 0.00 0.00 30 D 8.97 4.31 0.00 2.79 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 31 R 8.26 3.74 0.00 1.91 1.95 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.36 3.79 0.00 1.73 1.67 0.00 3.21 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.40 4.55 0.00 2.61 2.71 0.00 0.00 7.28 7.89 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 37 H 8.47 4.56 0.00 3.16 3.32 0.00 5.90 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.21 4.61 0.00 1.84 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.02 4.11 0.00 1.79 1.87 0.00 3.15 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 40 R 8.43 4.54 0.00 1.72 1.79 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.55 4.83 0.00 3.14 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.52 4.20 0.00 3.52 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 43 R 5.84 3.77 0.00 0.67 1.21 0.00 2.51 0.00 0.00 2.90 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.00 44 R 7.74 3.88 0.00 1.74 1.90 0.00 3.30 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 45 N 7.79 4.91 0.00 2.93 2.74 0.00 0.00 6.69 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.15 4.59 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 4.29 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 1.24 0.00 0.00 48 D 8.19 4.59 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.13 0.00 2.15 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 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.