NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7767 8.4293 120.6426 54.4551 31.1688 173.1068 1 M 4.5101 7.4284 113.4134 51.5284 35.4177 173.6017 2 Q 5.3182 7.8142 116.5151 53.1409 32.5781 175.3885 3 I 4.4284 7.9526 114.2357 59.0439 41.6800 173.6902 4 F 5.4480 9.2486 120.4887 55.7576 42.5269 175.4712 5 V 4.7441 8.6954 120.6433 60.8672 34.5063 174.4924 6 K 4.4962 9.0450 131.8564 56.5851 33.3986 177.2860 7 T 4.7203 8.9152 119.1209 60.3304 70.7509 175.2135 8 L 4.0054 8.5806 120.6543 57.9972 41.4984 178.4663 9 T 4.2748 7.7383 105.4405 61.2727 69.4733 173.9604 10 G 4.1280 8.2950 110.6511 45.6551 0.0000 174.6190 11 K 3.8360 7.4919 121.4933 57.5904 33.0092 175.9023 12 T 5.0535 8.5909 124.0825 62.5113 69.9094 174.1474 13 I 4.6693 8.5051 119.1927 59.5880 40.7577 174.3695 14 T 5.0917 8.5172 119.5689 61.9016 71.1543 173.6718 15 L 4.7623 8.6488 125.1822 52.7474 45.4363 175.2148 16 E 4.4927 8.7336 124.4992 55.8280 30.2876 175.6464 17 V 4.7718 8.6408 119.1966 59.8607 37.0389 173.9742 18 E 4.7539 9.4174 120.1690 53.9470 33.0167 176.0656 19 P 4.3231 0.0000 0.0000 65.5089 31.5952 178.6868 20 S 4.2308 7.8565 112.6656 60.2889 63.2705 174.2633 21 D 4.4497 8.2748 122.9824 54.1605 41.2086 176.0215 22 T 4.6118 8.3451 114.6080 61.0655 70.1009 175.5125 23 I 3.6459 8.3650 125.1525 64.9170 37.0556 178.1464 24 E 3.9139 8.3176 118.6381 59.7941 29.2840 179.0168 25 N 4.2552 8.1588 115.9135 56.4748 38.6767 177.3131 26 V 3.5560 7.8312 118.7929 66.3130 31.5709 178.0020 27 K 4.1897 8.8279 119.2558 58.8806 31.8221 179.2183 28 A 4.0438 8.2070 121.2627 54.9961 18.0146 179.8596 29 K 3.9945 8.1877 117.1540 59.5440 32.0011 179.6264 30 I 3.9178 7.7562 120.3256 64.0771 36.8865 178.1669 31 Q 4.0765 8.0150 120.6019 59.1452 28.6551 177.7956 32 D 4.4007 8.0206 119.2290 56.4526 40.8270 177.6555 33 K 4.3424 7.3105 118.7471 57.0659 33.2876 176.8276 34 E 4.5594 8.6350 117.1813 55.2026 31.4325 176.7217 35 G 4.0159 8.0340 106.4877 45.1823 0.0000 173.8195 36 I 3.9406 7.3083 120.4532 60.3586 38.0018 174.0918 37 P 4.4924 0.0000 0.0000 61.5513 32.2901 175.5784 38 P 4.2717 0.0000 0.0000 65.8392 31.3448 177.9609 39 D 4.6234 8.0732 114.7630 54.7788 39.2453 176.4154 40 Q 4.4937 8.1289 118.5240 56.2354 30.1856 175.2496 41 Q 4.5806 7.7890 118.1320 55.6513 30.1981 175.2128 42 R 4.8898 9.6393 123.8881 54.3704 33.0870 174.6633 43 L 5.1176 8.5359 123.6218 53.0684 44.4735 175.1987 44 I 4.9188 8.7553 124.8433 59.5488 39.7096 174.4388 45 F 5.0388 8.7320 128.8649 56.8320 42.7533 174.6127 46 A 3.4874 8.8037 126.2497 52.9380 15.9781 178.1431 47 G 3.9653 8.3805 107.3976 46.6933 0.0000 174.3893 48 K 4.5147 8.0712 120.1701 54.5298 33.8180 175.1984 49 Q 4.6055 8.4781 124.6918 55.7921 29.5827 175.4323 50 L 4.0754 8.7313 127.4752 54.6334 42.6718 176.1119 51 E 4.7842 9.3166 122.4674 54.3031 32.1004 175.5560 52 D 4.4761 8.7415 124.3009 55.6441 41.4067 175.5131 53 G 4.1560 8.5841 113.1824 46.1464 0.0000 174.6267 54 R 4.2431 7.9115 118.2724 55.5265 31.1690 175.4424 55 T 4.9829 8.1391 109.5234 59.5745 71.6052 175.4599 56 L 3.9349 8.4305 122.1420 58.3345 41.5343 179.8649 57 S 4.0187 8.0597 112.5526 61.7531 62.0452 176.0940 58 D 4.3189 7.8383 119.9924 56.6818 40.5221 177.2761 59 Y 4.5304 7.2521 114.9783 56.4532 38.8598 174.6872 60 N 4.0148 7.8249 117.5475 54.4889 37.8496 175.0984 61 I 3.6603 7.3927 118.4986 60.0833 36.8734 176.6885 62 Q 4.2864 8.1846 125.2305 54.1400 30.1609 175.6389 63 K 3.3936 7.9411 117.9923 57.5608 32.1972 177.1750 64 W 4.2282 7.8057 120.1884 57.8789 27.4314 174.8097 65 S 4.6099 7.6361 114.2678 59.0337 63.5209 173.2282 66 T 4.9736 8.6223 119.9643 62.1249 69.9418 174.0418 67 L 4.8488 8.6944 125.7860 52.8447 45.8148 175.3483 68 F 5.3502 8.7754 119.1805 55.6872 41.9485 174.2767 69 L 4.7362 8.8406 127.2024 54.6573 42.5576 175.8904 70 L 4.9936 9.4075 125.4474 53.1946 46.4108 175.4225 71 L 5.4880 8.2087 119.4615 52.3736 45.2586 175.7991 72 R 4.6688 8.5147 117.3613 55.1125 32.1745 176.4276 73 L 4.6466 7.9142 121.6931 52.5350 42.0372 176.2551 74 R 4.1355 8.1747 121.3503 55.9316 31.0585 176.4286 75 G 4.0590 8.1197 104.9479 45.5081 0.0000 174.0011 76 G 3.7119 8.5931 110.2945 45.7457 0.0000 172.6807 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 0 H 8.43 4.78 0.00 3.13 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.43 4.51 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 2 Q 7.81 5.32 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 1.94 2.23 0.00 3 I 7.95 4.43 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.14 0.73 0.00 0.00 4 F 9.25 5.45 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.74 2.11 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 0.96 0.00 0.00 0.92 0.00 0.00 6 K 9.04 4.50 0.00 1.97 2.02 0.00 1.86 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.58 7.81 7 T 8.92 4.72 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 8 L 8.58 4.01 0.00 1.66 1.80 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.74 4.27 4.25 0.00 0.00 0.00 0.00 0.00 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 10 G 8.29 4.13 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 0.00 0.00 0.00 11 K 7.49 3.84 0.00 2.02 1.76 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.48 7.81 12 T 8.59 5.05 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 1.31 0.00 0.00 13 I 8.51 4.67 1.92 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 1.41 0.84 1.00 0.00 0.00 14 T 8.52 5.09 4.31 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 1.01 0.00 0.00 15 L 8.65 4.76 0.00 1.44 1.46 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.49 0.00 1.93 1.83 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 2.24 2.35 0.00 17 V 8.64 4.77 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 0.80 0.00 0.00 0.86 0.00 0.00 18 E 9.42 4.75 0.00 1.79 1.73 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 2.27 2.25 0.00 19 P 0.00 4.32 0.00 2.07 2.00 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 20 S 7.86 4.23 0.00 3.82 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 21 D 8.27 4.45 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.61 4.37 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 1.20 0.00 0.00 23 I 8.37 3.65 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.43 1.01 0.00 0.00 24 E 8.32 3.91 0.00 2.00 2.04 0.00 0.00 0.00 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 2.62 0.00 25 N 8.16 4.26 0.00 2.92 2.86 0.00 0.00 6.73 7.20 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 26 V 7.83 3.56 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 1.03 0.00 0.00 0.88 0.00 0.00 27 K 8.83 4.19 0.00 1.96 1.85 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.42 7.81 28 A 8.21 4.04 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 29 K 8.19 3.99 0.00 1.85 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.59 7.81 30 I 7.76 3.92 2.17 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 1.41 0.73 0.92 0.00 0.00 31 Q 8.01 4.08 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 32 D 8.02 4.40 0.00 2.90 2.72 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 33 K 7.31 4.34 0.00 1.93 1.82 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 34 E 8.63 4.56 0.00 2.14 1.92 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 2.22 2.33 0.00 35 G 8.03 4.02 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 0.00 0.00 0.00 36 I 7.31 3.94 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 1.43 0.74 0.92 0.00 0.00 37 P 0.00 4.49 0.00 2.38 1.96 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.27 0.00 2.18 2.12 0.00 3.60 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 2.12 2.09 0.00 39 D 8.07 4.62 0.00 2.79 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 40 Q 8.13 4.49 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 41 Q 7.79 4.58 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 42 R 9.64 4.89 0.00 1.77 1.83 0.00 3.10 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 43 L 8.54 5.12 0.00 1.61 1.54 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.76 4.92 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 1.03 0.00 0.00 45 F 8.73 5.04 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.38 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 0.00 0.00 0.00 0.00 48 K 8.07 4.51 0.00 1.94 1.79 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 49 Q 8.48 4.61 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 50 L 8.73 4.08 0.00 1.57 1.45 0.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.32 4.78 0.00 2.04 1.91 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 2.30 2.37 0.00 52 D 8.74 4.48 0.00 2.69 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 53 G 8.58 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 54 R 7.91 4.24 0.00 1.85 1.57 0.00 3.16 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 55 T 8.14 4.98 4.44 0.00 0.00 0.00 0.00 0.00 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 56 L 8.43 3.93 0.00 1.90 1.68 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.06 4.02 0.00 3.82 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 58 D 7.84 4.32 0.00 2.63 2.36 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 59 Y 7.25 4.53 0.00 2.91 2.87 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 60 N 7.82 4.01 0.00 2.90 2.97 0.00 0.00 7.09 8.10 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 61 I 7.39 3.66 1.70 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.02 0.58 0.00 0.00 62 Q 8.18 4.29 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 63 K 7.94 3.39 0.00 0.80 0.74 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 1.15 7.81 64 W 7.81 4.23 0.00 3.65 3.53 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 0.00 0.00 0.00 0.00 65 S 7.64 4.61 0.00 3.87 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 66 T 8.62 4.97 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 0.83 0.00 0.00 67 L 8.69 4.85 0.00 1.63 1.48 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.78 5.35 0.00 2.98 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 69 L 8.84 4.74 0.00 1.70 1.77 0.95 0.88 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 70 L 9.41 4.99 0.00 1.83 1.51 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.21 5.49 0.00 1.49 1.59 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.67 0.00 1.78 1.83 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 73 L 7.91 4.65 0.00 1.52 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.17 4.14 0.00 1.84 1.86 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 75 G 8.12 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 0.00 0.00 0.00 76 G 8.59 3.71 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