NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4011 0.0000 0.0000 62.7799 33.3239 174.6224 5 G 4.1097 8.7332 108.2356 43.4233 0.0000 172.0654 *7 P 4.6104 0.0000 0.0000 63.7485 34.3767 178.3998 8 S 3.8456 7.3764 110.8471 60.5294 63.6899 174.1188 9 S 4.3167 7.9244 113.7956 56.9038 65.0071 173.1072 10 Y 4.9231 7.3203 126.9623 56.7261 38.2656 174.7508 11 D 4.8134 7.8785 120.5815 55.2930 42.4328 177.1241 12 G 4.1041 8.6611 112.3980 46.7589 0.0000 173.2026 13 Y 4.2772 8.2227 119.9014 57.9835 39.6730 175.3051 14 C 5.2355 8.1139 115.0051 55.5064 44.0944 173.2935 15 L 4.3723 8.7809 121.3384 55.9453 42.0580 176.8122 16 N 5.0278 7.3984 113.9055 54.0763 43.6291 176.2588 17 G 3.3615 9.2734 113.5478 48.9481 0.0000 175.8355 18 G 3.7548 7.0265 107.9309 44.8890 0.0000 174.1607 19 V 4.3474 8.1289 123.4339 62.0932 35.5366 174.2875 *21 M 4.5519 8.4103 114.9913 55.4622 32.8668 174.3218 22 H 4.6886 8.9964 122.9471 55.9953 30.7364 174.3766 23 I 4.3809 9.0525 126.8238 61.4355 37.9426 177.3148 24 E 3.9755 8.4254 121.9297 59.8670 29.9414 180.1831 25 S 4.0447 7.2555 113.5873 60.8318 63.2032 175.0279 26 L 4.6160 8.3325 118.5061 56.4851 41.5388 176.0071 27 D 4.8839 7.2762 115.9847 54.0326 47.3800 177.8473 28 S 4.5569 7.4814 118.2173 58.6600 70.0800 175.4318 29 Y 4.8595 8.7984 119.2459 56.4378 39.8533 173.1974 30 T 4.2284 8.5796 119.4602 61.2576 70.9445 171.3949 31 C 5.3676 8.7250 117.7196 55.1946 42.2088 173.3054 32 N 4.9599 9.2327 120.3185 52.4382 40.2671 173.5967 33 C 5.2456 8.7187 123.6933 54.9916 39.0741 173.9984 34 V 3.7893 8.2107 119.4408 61.2728 31.5507 176.8725 35 I 3.7592 8.2263 121.2898 63.8086 37.9216 176.6395 36 G 4.0462 7.6515 106.5859 44.8401 0.0000 172.3174 37 Y 5.6156 8.0336 118.3943 56.4985 40.8287 173.8932 38 S 4.5366 8.2882 121.6651 56.4614 62.2156 176.6155 39 G 3.8525 9.8174 105.8911 45.5767 0.0000 173.0072 40 D 4.8251 9.1375 117.9770 54.0201 40.0445 174.5798 41 R 4.5197 7.2448 114.1883 56.0031 32.0949 175.1612 42 C 4.4975 8.3576 112.7384 58.8464 38.1564 174.2657 43 Q 3.8973 8.2166 118.7249 57.5305 29.2613 175.6231 44 T 4.2899 7.4229 114.0011 60.1564 66.5485 171.5162 45 R 4.4794 7.7246 123.0882 55.1197 29.5472 176.5381 46 D 4.5948 9.9989 128.9923 56.7981 40.4004 178.7835 47 L 4.0312 6.3086 124.9231 56.3646 39.0934 177.4693 48 R 4.2139 8.4619 122.2413 56.4051 30.9861 175.9371 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 4 P 0.00 4.40 0.00 2.22 2.15 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 5 G 8.73 4.11 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 0.00 *7 P 0.00 4.61 0.00 2.24 2.11 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 8 S 7.38 3.85 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.92 4.32 0.00 3.72 3.72 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 10 Y 7.32 4.92 0.00 2.66 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 0.00 0.00 0.00 11 D 7.88 4.81 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 4.10 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 0.00 0.00 0.00 13 Y 8.22 4.28 0.00 3.21 3.23 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 14 C 8.11 5.24 0.00 3.08 3.05 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 15 L 8.78 4.37 0.00 1.77 1.69 0.87 0.78 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 16 N 7.40 5.03 0.00 2.86 3.01 0.00 0.00 6.90 8.17 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 17 G 9.27 3.36 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 0.00 18 G 7.03 3.75 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 0.00 0.00 0.00 19 V 8.13 4.35 2.30 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 0.87 0.00 0.00 1.02 0.00 0.00 *21 M 8.41 4.55 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 22 H 9.00 4.69 0.00 3.17 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 9.05 4.38 1.91 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 1.20 1.15 1.03 0.00 0.00 24 E 8.43 3.98 0.00 1.48 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 2.46 2.32 0.00 25 S 7.26 4.04 0.00 3.91 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 26 L 8.33 4.62 0.00 1.67 1.75 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.28 4.88 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.48 4.56 0.00 3.93 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 29 Y 8.80 4.86 0.00 2.73 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 30 T 8.58 4.23 4.17 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 0.00 0.00 0.00 1.28 0.00 0.00 31 C 8.72 5.37 0.00 2.98 3.03 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 32 N 9.23 4.96 0.00 2.80 2.70 0.00 0.00 7.41 7.68 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 33 C 8.72 5.25 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 34 V 8.21 3.79 1.85 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 -0.12 0.00 0.00 0.69 0.00 0.00 35 I 8.23 3.76 1.82 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 0.64 0.81 0.00 0.00 36 G 7.65 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 0.00 0.00 0.00 37 Y 8.03 5.62 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.54 0.00 3.83 3.13 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 39 G 9.82 3.85 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 0.00 0.00 0.00 40 D 9.14 4.83 0.00 2.72 3.01 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 41 R 7.24 4.52 0.00 1.78 1.74 0.00 3.45 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.00 42 C 8.36 4.50 0.00 3.27 3.38 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 43 Q 8.22 3.90 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.23 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 44 T 7.42 4.29 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 1.29 0.00 0.00 45 R 7.72 4.48 0.00 1.53 0.81 0.00 2.65 0.00 0.00 2.84 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.30 0.00 46 D 10.00 4.59 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 6.31 4.03 0.00 1.76 1.76 0.95 0.98 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 48 R 8.46 4.21 0.00 1.94 1.73 0.00 3.24 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.