NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2868 8.3044 120.3497 54.4307 33.3698 174.1060 2 K 3.5414 8.6270 122.2017 56.4576 32.0567 174.7340 3 R 4.3543 8.2991 126.0874 55.4972 31.8999 177.3832 4 T 3.8653 8.5572 110.6359 63.5749 68.7149 173.5250 5 F 4.9974 7.8296 124.8710 56.6543 40.2067 175.0208 6 Q 4.1143 8.1375 127.1753 52.4572 29.7877 172.9595 7 P 4.0277 0.0000 0.0000 63.1937 31.8698 177.4479 8 S 4.6627 8.2132 109.2088 55.9767 64.0344 176.0936 9 V 3.6088 8.0149 130.0639 65.9487 30.7808 177.9857 10 L 3.9147 7.8199 119.1122 57.6515 42.2611 178.4416 11 K 4.1028 7.9017 118.8589 59.4303 32.2370 178.4539 12 R 3.9540 8.1731 117.9729 59.1748 30.0555 177.1097 13 N 4.6229 8.1107 116.2387 55.7430 39.1778 176.8515 14 R 4.2264 7.8793 119.1160 58.2712 30.1137 176.9802 15 S 4.8308 7.6747 113.0951 58.1011 63.7569 174.1492 16 H 4.6829 8.1350 114.3600 56.3318 33.9626 174.2991 17 G 3.8937 8.5216 110.1731 44.8653 0.0000 174.4503 18 F 4.1645 9.0453 121.3655 61.4028 39.4348 177.4581 19 R 3.7715 8.4023 118.6399 59.1413 29.9265 178.2918 20 A 4.0390 7.4548 117.5129 53.3172 19.1956 178.2658 21 R 3.9909 8.3370 116.9675 58.5739 30.3377 177.3878 22 M 3.9972 7.4602 114.3438 55.8561 33.0128 176.0916 23 A 4.3954 6.9028 122.9371 49.3050 17.8585 176.3743 24 T 4.4019 6.7923 122.5619 61.4282 70.1961 172.4677 25 K 4.2817 8.5541 128.7703 56.5895 32.4438 175.9295 26 N 4.7955 7.7478 113.9899 54.1536 40.1647 175.8697 27 G 3.8659 7.8373 104.0493 46.9096 0.0000 175.5493 28 R 4.5427 8.2098 121.1946 58.2685 29.3049 178.0231 29 Q 3.9547 8.2006 118.7813 58.3059 28.9180 178.4903 30 V 3.8176 9.1064 119.3094 66.0654 31.6606 177.0800 31 L 4.2164 8.5465 116.3457 55.6160 41.2654 178.4414 32 A 4.1783 7.5515 121.5158 54.8204 19.1646 180.1888 33 R 3.9885 7.8649 115.8601 58.8770 29.9466 179.2543 34 R 3.9006 7.7319 117.6060 59.5505 30.5213 178.9785 35 R 4.1465 7.9403 116.2073 58.3025 29.9777 178.6635 36 A 4.1213 7.8546 119.7701 54.0804 18.4559 178.7141 37 K 4.2815 7.7094 114.9659 56.4331 32.6998 175.9476 38 G 3.6742 8.5737 108.8803 41.4280 0.0000 170.1830 39 R 3.5739 8.0804 129.4476 54.6149 30.1170 175.6245 40 A 3.6939 8.2073 127.6082 55.5850 19.0549 177.6541 41 R 4.2898 7.5429 121.8431 54.2346 29.4872 177.3653 42 L 4.1444 8.3002 125.1410 57.4209 42.3792 177.3222 43 T 4.2182 7.9170 108.6220 62.2574 70.6939 173.0216 44 V 3.3434 7.5334 113.2155 62.9792 29.1583 174.4500 45 S 4.6655 8.0538 110.9925 58.2910 63.4112 174.3049 46 K 4.1834 7.5997 125.9725 56.9937 32.2289 175.8589 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 4.29 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 8.63 3.54 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.67 7.81 3 R 8.30 4.35 0.00 1.92 1.89 0.00 3.38 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 4 T 8.56 3.87 4.29 0.00 0.00 0.00 0.00 0.00 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 5 F 7.83 5.00 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.14 4.11 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 7 P 0.00 4.03 0.00 2.01 1.70 0.00 3.44 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 8 S 8.21 4.66 0.00 3.94 3.94 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 9 V 8.01 3.61 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 0.78 0.00 0.00 0.95 0.00 0.00 10 L 7.82 3.91 0.00 1.66 1.75 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.90 4.10 0.00 1.87 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.51 7.81 12 R 8.17 3.95 0.00 1.86 2.01 0.00 3.36 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 13 N 8.11 4.62 0.00 2.90 2.87 0.00 0.00 6.67 7.66 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 14 R 7.88 4.23 0.00 2.14 1.97 0.00 3.26 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 15 S 7.67 4.83 0.00 3.93 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 16 H 8.14 4.68 0.00 3.28 3.32 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.52 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 0.00 0.00 0.00 18 F 9.05 4.16 0.00 3.01 3.10 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 19 R 8.40 3.77 0.00 1.94 1.99 0.00 3.23 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 20 A 7.45 4.04 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 21 R 8.34 3.99 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 22 M 7.46 4.00 0.00 1.46 1.22 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 23 A 6.90 4.40 1.25 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 0.00 0.00 0.00 24 T 6.79 4.40 4.20 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 1.25 0.00 0.00 25 K 8.55 4.28 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.40 7.81 26 N 7.75 4.80 0.00 2.74 2.76 0.00 0.00 6.97 7.86 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 27 G 7.84 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 0.00 0.00 0.00 28 R 8.21 4.54 0.00 1.89 2.43 0.00 3.05 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 29 Q 8.20 3.95 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 30 V 9.11 3.82 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 31 L 8.55 4.22 0.00 1.86 1.74 0.98 1.29 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 32 A 7.55 4.18 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 R 7.86 3.99 0.00 1.92 1.99 0.00 3.19 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 34 R 7.73 3.90 0.00 1.90 2.02 0.00 3.49 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 35 R 7.94 4.15 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 36 A 7.85 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.28 0.00 2.00 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 38 G 8.57 3.67 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 0.00 0.00 0.00 39 R 8.08 3.57 0.00 1.93 1.96 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 40 A 8.21 3.69 1.26 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 0.00 0.00 0.00 41 R 7.54 4.29 0.00 1.88 1.91 0.00 3.13 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 42 L 8.30 4.14 0.00 1.59 1.71 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.92 4.22 4.36 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 1.36 0.00 0.00 44 V 7.53 3.34 2.10 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 0.77 0.00 0.00 0.95 0.00 0.00 45 S 8.05 4.67 0.00 4.05 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 46 K 7.60 4.18 0.00 1.70 1.70 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81