NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3932 8.1076 123.5920 52.3639 20.6143 179.0493 2 Q 3.9671 8.2898 112.2660 57.3569 29.2320 175.5036 3 H 4.3170 8.4205 111.2797 56.4931 36.6077 175.3496 4 D 4.4184 8.2762 114.7169 56.7341 38.3886 175.1497 5 E 3.9693 8.0817 120.3184 59.4792 29.9540 178.8346 6 A 3.9591 7.9539 120.3333 55.1133 18.5810 179.1420 7 Q 3.8540 7.9951 117.6958 59.4754 29.1594 178.4666 8 Q 3.6326 8.0100 118.5919 58.9117 28.4938 177.7581 9 N 4.2715 8.2345 118.8676 56.4305 38.9909 176.4548 10 A 3.9601 8.0260 122.0997 55.1838 18.4375 179.2442 11 F 4.1919 7.9237 118.3962 61.8361 39.4005 176.8470 12 Y 4.1722 7.8761 116.4310 61.1725 37.4336 178.7881 13 Q 3.9578 8.1942 117.9809 59.0762 28.9714 178.5669 14 V 3.6678 7.6194 117.7388 65.9994 31.5250 177.7191 15 L 4.0427 7.4552 117.4013 57.4227 42.9185 178.7839 16 N 4.9524 7.8913 116.4447 51.5065 35.8342 176.6012 17 M 4.6438 7.2576 119.9182 52.7172 33.9429 174.6767 18 P 4.3980 0.0000 0.0000 64.3857 32.0437 177.6839 19 N 4.5685 8.1632 115.7448 54.4261 38.9754 175.4264 20 L 4.4327 7.4214 118.1979 54.4578 42.5182 176.1241 21 N 4.8998 8.6492 118.4422 51.0978 40.7344 175.6998 22 A 3.9343 8.3007 120.8634 55.5964 18.3767 179.1440 23 D 4.3081 8.1813 116.6639 57.8782 40.8340 178.9401 24 Q 3.8300 8.6386 118.6199 59.0107 28.6967 179.1531 25 R 4.1820 8.1963 116.8860 59.6040 29.4655 178.5801 26 N 4.4640 8.5895 117.6278 55.7608 38.4580 177.4070 27 G 3.5673 8.2125 107.3011 48.0320 0.0000 175.6694 28 F 4.3960 8.1872 120.8809 60.1154 38.8194 177.7742 29 I 3.8880 8.2361 119.6742 64.7749 36.9133 178.5344 30 Q 4.0348 8.4307 118.9269 59.0021 28.3983 179.0133 31 S 4.1312 8.3742 116.4038 61.3897 62.7618 176.4715 32 L 3.9527 8.3133 123.2581 58.0267 41.6774 178.8398 33 K 3.9350 8.0899 118.4444 59.6008 32.2103 177.9054 34 D 4.5651 8.2064 117.0294 56.1119 42.7040 176.1778 35 D 4.9369 8.0833 120.9172 51.4020 40.6557 174.6715 36 P 4.5875 0.0000 0.0000 64.7521 32.1066 178.8787 37 S 4.2512 8.2189 112.9610 61.3228 62.9749 175.2109 38 Q 4.4984 7.8079 119.8385 55.6868 29.4882 178.5505 39 S 4.1016 8.1092 117.3773 61.8093 63.1052 175.8262 40 A 3.9503 7.9251 122.7464 55.0918 18.0915 178.9885 41 N 4.1876 8.0428 114.9463 56.8763 39.1378 176.8923 42 V 3.7405 7.8645 119.6172 65.9784 31.4888 177.5327 43 L 3.9008 8.1400 120.1588 58.0962 41.8327 179.0895 44 G 3.5893 8.1428 105.5343 47.9124 0.0000 175.3170 45 E 3.9061 8.3119 121.6442 58.8656 29.4404 179.3733 46 A 2.6789 7.3426 120.7088 54.7638 18.2280 179.4526 47 Q 3.7851 8.0552 118.3282 59.0320 29.0043 178.3657 48 K 3.8740 8.1652 120.8690 59.4739 32.3995 178.5831 49 L 4.0516 7.9935 122.0413 57.4527 41.7870 178.3402 50 N 4.2667 8.1726 116.4088 56.7031 39.2565 175.9895 51 D 4.4673 8.3353 119.8490 57.5029 40.9493 178.3851 52 S 4.2125 8.3695 114.9204 61.1783 62.6225 175.3483 53 Q 4.4765 7.6476 118.5431 54.6203 29.0017 175.7413 54 A 4.1847 7.3755 124.4236 51.3816 19.0705 176.7598 55 P 4.2338 0.0000 0.0000 64.1060 31.8862 176.4397 56 K 4.1580 8.0661 123.2738 56.1791 32.6688 175.4504 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 A 8.11 4.39 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 2 Q 8.29 3.97 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 3 H 8.42 4.32 0.00 3.25 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.28 4.42 0.00 2.83 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 5 E 8.08 3.97 0.00 2.02 2.02 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 2.43 2.40 0.00 6 A 7.95 3.96 1.31 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 0.00 0.00 0.00 7 Q 8.00 3.85 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 8 Q 8.01 3.63 0.00 1.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.58 2.27 0.00 9 N 8.23 4.27 0.00 2.95 3.03 0.00 0.00 7.07 8.18 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 10 A 8.03 3.96 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 11 F 7.92 4.19 0.00 2.99 2.99 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 12 Y 7.88 4.17 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.19 3.96 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 14 V 7.62 3.67 2.20 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 0.87 0.00 0.00 0.92 0.00 0.00 15 L 7.46 4.04 0.00 1.67 1.57 0.23 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.89 4.95 0.00 2.75 2.76 0.00 0.00 7.14 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 M 7.26 4.64 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 18 P 0.00 4.40 0.00 2.17 2.17 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 19 N 8.16 4.57 0.00 2.96 3.08 0.00 0.00 7.17 7.98 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 20 L 7.42 4.43 0.00 1.77 1.70 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.65 4.90 0.00 3.00 2.97 0.00 0.00 7.29 7.59 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 22 A 8.30 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.18 4.31 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 24 Q 8.64 3.83 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.18 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 25 R 8.20 4.18 0.00 2.27 2.28 0.00 2.79 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 26 N 8.59 4.46 0.00 2.88 2.93 0.00 0.00 7.17 8.03 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 27 G 8.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.40 0.00 3.28 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 29 I 8.24 3.89 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.99 1.15 0.00 0.00 30 Q 8.43 4.03 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 31 S 8.37 4.13 0.00 4.15 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 32 L 8.31 3.95 0.00 2.02 1.81 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.09 3.94 0.00 1.84 1.99 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 34 D 8.21 4.57 0.00 2.75 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 35 D 8.08 4.94 0.00 2.83 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 36 P 0.00 4.59 0.00 2.15 2.15 0.00 3.42 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 37 S 8.22 4.25 0.00 3.99 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 38 Q 7.81 4.50 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 39 S 8.11 4.10 0.00 3.85 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 40 A 7.93 3.95 1.31 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 0.00 0.00 0.00 41 N 8.04 4.19 0.00 2.85 2.84 0.00 0.00 7.13 7.74 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 42 V 7.86 3.74 2.20 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 1.14 0.00 0.00 1.05 0.00 0.00 43 L 8.14 3.90 0.00 1.82 1.85 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.14 3.59 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 0.00 45 E 8.31 3.91 0.00 2.11 2.17 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 2.39 2.49 0.00 46 A 7.34 2.68 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 3.79 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 48 K 8.17 3.87 0.00 1.90 1.93 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 49 L 7.99 4.05 0.00 2.08 1.78 1.02 0.48 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 50 N 8.17 4.27 0.00 2.75 3.00 0.00 0.00 7.18 8.89 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 51 D 8.34 4.47 0.00 2.86 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 52 S 8.37 4.21 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.65 4.48 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.29 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 54 A 7.38 4.18 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 55 P 0.00 4.23 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 56 K 8.07 4.16 0.00 1.84 2.05 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.45 7.81