NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3934 8.3044 120.3502 55.4324 32.1007 173.8832 2 K 4.3144 8.0541 126.7268 53.1783 32.2601 173.4590 3 P 4.4122 0.0000 0.0000 64.3470 32.8283 176.6908 4 V 4.6894 7.5552 114.9936 61.2589 34.7426 174.3146 5 T 4.8698 9.0634 121.9682 61.3322 71.4468 175.5423 6 L 3.5893 8.5442 123.0969 57.7755 41.4310 179.4661 7 Y 4.7131 8.1749 116.8148 61.2069 37.7461 177.9994 8 D 4.3915 8.3833 120.0999 57.4230 40.8996 179.0188 9 V 3.5996 7.6405 118.0606 65.7245 31.5457 177.6855 10 A 4.0053 8.2094 120.6546 55.2397 18.4077 179.5204 11 E 3.9041 8.6279 117.3769 59.8949 29.4212 179.0443 12 Y 4.2299 8.1564 117.8560 60.4133 38.8239 177.4243 13 A 4.1736 8.1386 120.9677 52.1474 19.0725 177.6393 14 G 3.8280 8.5572 104.3316 46.1728 0.0000 173.6780 15 V 4.5326 7.9459 110.9156 58.7665 35.8712 175.9380 16 S 4.3379 8.6040 118.1549 59.0079 63.4159 174.9746 17 Y 4.1517 8.9301 123.0968 61.4379 38.7806 178.1885 18 Q 4.2343 8.2447 115.1543 57.0306 28.9580 178.2776 19 T 3.9652 8.0298 117.2126 66.8434 68.4677 177.2269 20 V 3.6973 7.5165 113.6281 64.4046 31.9197 178.7908 21 S 3.8360 8.7279 116.1578 61.4523 62.5113 176.7453 22 R 3.9023 7.5242 120.9081 59.0308 29.6194 178.8417 23 V 3.5136 7.1933 117.4454 66.0623 31.4371 178.3088 24 V 3.7050 8.2912 116.3799 65.1346 31.4201 176.6291 25 N 4.7475 7.9872 114.0937 52.5248 39.0328 176.3272 26 Q 5.5061 8.1889 129.1469 56.8289 28.0974 174.2776 27 A 3.7679 7.8093 121.5141 52.7121 16.5286 178.4100 28 S 4.1763 8.0371 113.9951 61.0038 63.9036 174.5001 29 H 4.7860 7.3488 118.2289 53.6307 29.2855 172.5563 30 V 4.3188 7.5897 115.3215 60.7092 35.5496 172.4783 31 S 4.7144 8.2191 114.2527 56.6186 65.5401 174.4545 32 A 4.0497 8.1802 121.6902 54.8590 18.0668 179.4666 33 K 3.8093 8.0842 115.9765 60.5521 32.2406 179.1162 34 T 3.8289 7.3450 113.3366 66.6344 68.4506 176.7739 35 R 3.9126 7.5302 119.0470 59.4086 30.0426 179.0926 36 E 4.1619 8.0995 117.8506 59.0846 29.3141 179.6428 37 K 3.9544 8.0940 118.7771 59.4569 32.1965 179.8969 38 V 3.6385 8.0355 112.9315 64.3674 31.4572 178.3848 39 E 4.0004 8.7131 118.5470 59.3491 29.2272 179.3435 40 A 3.9606 8.2308 120.4017 55.1068 18.5131 179.2247 41 A 4.6501 8.3611 119.9281 56.0355 18.2926 179.8532 42 M 4.1033 8.4796 113.9261 58.3980 31.3926 178.3141 43 A 4.1899 8.0676 121.9976 55.0155 18.3599 179.5298 44 E 3.9830 8.4094 116.3880 59.4494 29.7615 178.8630 45 L 4.0578 7.7129 115.4353 54.5112 41.8226 176.8251 46 N 4.5628 7.8228 123.0531 54.0024 39.0320 172.7839 47 Y 3.7480 7.9542 120.9879 57.7025 36.6672 169.7071 48 I 3.8967 8.0030 118.9909 59.5770 39.0950 175.1343 49 P 4.3271 0.0000 0.0000 61.8544 30.1711 178.2017 50 N 5.0188 7.1096 115.2155 53.6206 40.3447 173.3575 51 R 4.3661 8.1985 118.6923 58.3494 32.0865 178.1986 52 C 4.1038 8.4605 111.1826 58.1181 28.2361 175.8372 53 A 5.0059 8.5459 115.7640 52.4967 20.7615 176.9214 54 Q 4.2170 9.7989 123.2079 57.8973 29.7700 177.3018 55 Q 4.5728 7.6398 111.3559 54.9158 29.6932 174.2533 56 L 4.1748 7.5570 117.9318 54.9228 44.7805 173.5506 57 A 4.8883 8.5963 128.5570 49.5243 22.3303 173.9326 58 G 4.1826 8.6758 105.8057 44.6790 0.0000 173.8239 59 K 4.5373 8.2944 120.4626 55.9854 35.0029 174.5632 60 Q 4.5591 8.2310 117.9478 55.5256 31.2933 172.8783 61 S 4.4322 7.9230 111.8941 57.6725 65.6504 173.7409 62 L 3.9913 8.5005 120.1121 55.3936 41.5412 174.6891 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 4.39 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 K 8.05 4.31 0.00 1.79 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.63 7.81 3 P 0.00 4.41 0.00 2.12 2.10 0.00 3.71 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 2.04 2.08 0.00 4 V 7.56 4.69 2.33 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 0.81 0.00 0.00 1.04 0.00 0.00 5 T 9.06 4.87 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 1.26 0.00 0.00 6 L 8.54 3.59 0.00 1.85 1.54 0.70 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.17 4.71 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.38 4.39 0.00 2.89 2.71 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 9 V 7.64 3.60 1.94 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 1.15 0.00 0.00 0.45 0.00 0.00 10 A 8.21 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.90 0.00 2.17 2.05 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 2.51 2.44 0.00 12 Y 8.16 4.23 0.00 2.95 3.20 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 13 A 8.14 4.17 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 14 G 8.56 3.83 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 0.00 0.00 0.00 15 V 7.95 4.53 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 16 S 8.60 4.34 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.15 0.00 3.34 3.11 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 18 Q 8.24 4.23 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 19 T 8.03 3.97 4.43 0.00 0.00 0.00 0.00 0.00 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 20 V 7.52 3.70 2.03 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 0.89 0.00 0.00 0.77 0.00 0.00 21 S 8.73 3.84 0.00 3.35 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 3.90 0.00 2.00 2.24 0.00 3.21 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 23 V 7.19 3.51 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 0.97 0.00 0.00 24 V 8.29 3.70 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 0.92 0.00 0.00 1.06 0.00 0.00 25 N 7.99 4.75 0.00 2.85 2.83 0.00 0.00 7.16 7.31 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 26 Q 8.19 5.51 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 27 A 7.81 3.77 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 28 S 8.04 4.18 0.00 3.84 3.95 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 29 H 7.35 4.79 0.00 3.31 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.59 4.32 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 0.60 0.00 0.00 0.96 0.00 0.00 31 S 8.22 4.71 0.00 3.96 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 32 A 8.18 4.05 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 33 K 8.08 3.81 0.00 1.97 2.10 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 34 T 7.35 3.83 4.38 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 1.20 0.00 0.00 35 R 7.53 3.91 0.00 2.11 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 36 E 8.10 4.16 0.00 2.13 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 2.33 2.62 0.00 37 K 8.09 3.95 0.00 2.07 1.81 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.42 7.81 38 V 8.04 3.64 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 0.78 0.00 0.00 1.00 0.00 0.00 39 E 8.71 4.00 0.00 2.16 2.03 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 2.36 2.43 0.00 40 A 8.23 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.65 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.48 4.10 0.00 2.24 2.58 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.90 0.00 43 A 8.07 4.19 1.49 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 0.00 0.00 44 E 8.41 3.98 0.00 1.94 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 2.88 2.94 0.00 45 L 7.71 4.06 0.00 1.59 1.61 0.81 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.82 4.56 0.00 2.81 3.01 0.00 0.00 7.18 7.41 0.00 0.00 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 Y 7.95 3.75 0.00 3.00 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 48 I 8.00 3.90 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.92 0.00 0.00 49 P 0.00 4.33 0.00 2.11 2.01 0.00 3.68 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 50 N 7.11 5.02 0.00 2.61 2.72 0.00 0.00 7.33 7.92 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 51 R 8.20 4.37 0.00 2.15 2.36 0.00 3.19 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 52 C 8.46 4.10 0.00 3.11 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 53 A 8.55 5.01 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 54 Q 9.80 4.22 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 55 Q 7.64 4.57 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 56 L 7.56 4.17 0.00 1.61 1.51 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.60 4.89 1.22 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 58 G 8.68 4.18 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 0.00 59 K 8.29 4.54 0.00 1.84 1.75 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.41 7.81 60 Q 8.23 4.56 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 61 S 7.92 4.43 0.00 3.79 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 62 L 8.50 3.99 0.00 1.81 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00