NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.8545 8.1293 121.6801 57.8972 39.1540 174.1736 2 D 4.2585 8.2355 124.7454 51.6844 40.3912 175.0697 3 G 3.9702 7.8867 107.1812 46.3550 0.0000 176.0814 4 T 4.1163 7.9464 109.7915 62.5622 69.3716 174.9661 5 K 4.5303 8.0032 121.1465 54.9050 34.3643 175.7463 6 C 5.0686 8.6075 120.8925 54.7242 41.9198 173.7606 7 K 3.7853 8.8538 124.6575 59.6433 31.9617 176.3227 8 A 4.3476 7.7811 118.8111 50.7486 22.4123 175.0566 9 A 4.0729 8.6015 122.6340 54.1886 18.4157 178.3764 10 G 3.8694 9.1505 110.5576 45.6225 0.0000 173.0136 11 N 4.8551 8.6115 118.4263 52.0718 39.8010 173.1279 12 C 5.1692 8.6730 119.9966 55.8911 41.8312 174.2756 13 W 4.1041 7.7952 131.2002 57.1430 30.7722 175.3562 14 E 3.8657 5.9000 123.6554 53.0896 32.6852 173.7785 15 P 3.7497 0.0000 0.0000 61.9590 32.4753 176.4644 16 K 4.1346 8.1619 119.4386 55.1535 32.8027 174.4904 17 P 4.2781 0.0000 0.0000 65.3864 31.1448 176.5779 18 G 3.9511 9.3553 111.6033 44.9604 0.0000 172.3566 19 F 4.9359 8.0222 117.8496 54.3331 41.6993 173.7231 20 P 4.5429 0.0000 0.0000 62.9048 31.6641 176.1370 21 E 4.3573 8.7168 119.7239 57.9055 29.8565 176.7454 22 K 4.5896 7.8619 118.0020 54.6621 35.2570 176.6272 23 I 3.8996 8.4925 116.8543 61.5753 38.2055 175.7852 24 A 4.2699 7.3668 125.2884 53.7544 18.4899 177.7738 25 G 3.8618 9.9883 111.1778 45.9814 0.0000 173.6440 26 S 4.5895 7.8120 115.2939 55.9028 64.9890 174.8604 27 K 3.6934 8.2910 120.8298 59.1541 31.6096 176.5259 28 Y 4.8622 7.3525 114.5266 57.5740 38.0098 174.8041 29 D 4.5182 8.0323 121.0572 53.3293 41.4851 174.4001 30 P 4.2328 0.0000 0.0000 64.0737 31.7153 176.7857 31 K 3.8457 8.2954 115.3740 57.5890 29.6845 175.8910 32 H 4.3226 7.9672 114.8449 55.8285 29.7522 175.3636 33 D 4.6104 8.6351 123.8597 52.5533 40.9960 174.8637 34 P 4.5084 0.0000 0.0000 65.9244 30.5996 178.0012 35 K 3.8918 8.2616 118.3141 59.4728 32.3817 178.1194 36 E 4.1146 8.6016 119.0601 59.4140 29.3797 179.1293 37 L 4.0454 7.9688 116.7866 57.0947 41.5970 178.0962 38 N 4.7765 7.7218 114.9091 52.9900 39.0214 176.8630 39 K 3.9632 8.0303 121.7201 59.5723 32.1899 178.8461 40 Q 3.9842 8.1381 117.4869 59.0379 28.6282 178.8009 41 A 3.9815 7.9578 120.9880 55.3373 18.3794 179.2543 42 D 4.2593 7.8087 116.9564 57.4834 40.8894 178.6252 43 S 4.0774 8.1110 113.6503 61.7527 62.1864 176.5984 44 I 3.7389 7.7443 122.2921 64.2097 37.0075 178.4551 45 K 4.1218 8.2719 118.9986 59.1924 32.4237 179.2814 46 Q 3.9699 8.3695 120.4695 59.2664 28.5583 178.2678 47 M 4.0395 7.9987 119.6918 58.5470 31.9365 178.7280 48 E 3.9639 8.5888 119.0974 59.1419 29.6860 179.0438 49 E 3.8918 8.1530 119.3931 59.3267 29.6757 179.1137 50 R 3.8507 8.1146 118.1177 59.4231 30.1655 178.7380 51 N 4.3047 8.3846 116.5027 56.1121 38.4497 177.1029 52 K 3.8491 8.2360 121.0976 59.6245 32.2118 178.8442 53 K 3.9144 7.8324 117.8867 59.5070 31.9911 179.4644 54 R 3.6513 8.0860 118.4419 59.1779 29.9235 179.3279 55 V 3.8126 8.2571 118.2135 66.0170 31.5462 177.4539 56 E 3.9128 8.3405 119.1634 59.4603 29.4625 178.1151 57 N 4.2327 8.2612 116.9721 56.7607 38.9447 176.4256 58 F 4.7283 8.1590 123.1431 60.7781 39.3034 177.0879 59 K 3.6283 8.0520 116.9062 59.8512 31.9837 178.4814 60 K 3.8068 8.0245 118.3269 60.2381 32.0763 178.1723 61 T 4.1676 8.6944 111.8091 62.3031 69.4221 176.1545 62 G 3.8453 8.5517 109.2958 45.1036 0.0000 172.9709 63 K 4.6927 7.9580 121.4096 54.3408 33.9701 174.5146 64 F 4.2381 8.7951 128.5586 57.0044 40.2008 174.0622 65 E 4.5393 7.5482 127.7575 54.4545 31.6870 174.6203 66 Y 4.0812 8.7779 127.6497 60.1087 39.5943 174.5157 67 D 4.3265 8.2184 120.1990 53.7419 40.8795 176.5102 68 V 3.4642 8.2256 127.8786 65.6793 31.8454 177.9143 69 A 3.9845 7.9633 122.1706 54.9934 18.1749 178.3666 70 K 4.2422 7.7531 112.3363 57.1764 32.5750 177.2373 71 I 4.1121 7.3731 120.7107 60.6478 38.0030 176.1370 72 S 4.3525 8.4613 118.8819 58.7239 63.0891 174.0908 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 Y 8.13 4.85 0.00 2.65 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 2 D 8.24 4.26 0.00 2.74 2.59 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 3 G 7.89 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 4 T 7.95 4.12 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 1.22 0.00 0.00 5 K 8.00 4.53 0.00 1.86 1.83 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.60 7.81 6 C 8.61 5.07 0.00 2.99 3.41 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 7 K 8.85 3.79 0.00 1.79 1.93 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 8 A 7.78 4.35 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 9 A 8.60 4.07 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 10 G 9.15 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 11 N 8.61 4.86 0.00 2.69 2.83 0.00 0.00 6.95 7.38 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 12 C 8.67 5.17 0.00 3.09 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 13 W 7.80 4.10 0.00 3.39 3.09 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 0.00 0.00 0.00 0.00 14 E 5.90 3.87 0.00 1.32 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 2.01 2.23 0.00 15 P 0.00 3.75 0.00 2.33 2.07 0.00 3.26 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 16 K 8.16 4.13 0.00 1.70 1.80 0.00 1.45 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.36 7.81 17 P 0.00 4.28 0.00 2.11 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 18 G 9.36 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 0.00 0.00 0.00 19 F 8.02 4.94 0.00 3.15 3.06 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 20 P 0.00 4.54 0.00 2.52 2.16 0.00 4.20 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 21 E 8.72 4.36 0.00 2.02 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 0.00 2.46 2.47 0.00 22 K 7.86 4.59 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 23 I 8.49 3.90 2.15 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 1.35 0.66 1.06 0.00 0.00 24 A 7.37 4.27 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 25 G 9.99 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 0.00 0.00 0.00 26 S 7.81 4.59 0.00 3.99 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 27 K 8.29 3.69 0.00 1.41 1.16 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.01 1.23 7.81 28 Y 7.35 4.86 0.00 3.15 2.92 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 0.00 0.00 0.00 29 D 8.03 4.52 0.00 2.96 2.59 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 30 P 0.00 4.23 0.00 1.67 1.77 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 31 K 8.30 3.85 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.62 7.81 32 H 7.97 4.32 0.00 3.13 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.64 4.61 0.00 2.76 2.57 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 34 P 0.00 4.51 0.00 2.30 2.32 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 35 K 8.26 3.89 0.00 2.05 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.54 7.81 36 E 8.60 4.11 0.00 2.14 1.95 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 2.51 2.49 0.00 37 L 7.97 4.05 0.00 1.60 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.72 4.78 0.00 2.68 2.82 0.00 0.00 6.83 7.22 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 39 K 8.03 3.96 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.75 7.81 40 Q 8.14 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 41 A 7.96 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.81 4.26 0.00 2.82 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 43 S 8.11 4.08 0.00 3.99 4.09 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 0.00 0.00 0.00 0.00 44 I 7.74 3.74 2.01 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 1.58 0.72 0.91 0.00 0.00 45 K 8.27 4.12 0.00 1.98 2.06 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 Q 8.37 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 47 M 8.00 4.04 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 48 E 8.59 3.96 0.00 2.12 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 2.34 2.60 0.00 49 E 8.15 3.89 0.00 2.29 1.93 0.00 0.00 0.00 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 2.49 0.00 50 R 8.11 3.85 0.00 1.95 1.84 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 51 N 8.38 4.30 0.00 2.74 2.93 0.00 0.00 6.70 8.33 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 52 K 8.24 3.85 0.00 2.05 2.02 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 53 K 7.83 3.91 0.00 2.02 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 R 8.09 3.65 0.00 1.97 1.62 0.00 3.17 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 55 V 8.26 3.81 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 1.20 0.00 0.00 1.15 0.00 0.00 56 E 8.34 3.91 0.00 2.31 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 0.00 2.31 2.34 0.00 57 N 8.26 4.23 0.00 2.87 2.95 0.00 0.00 6.92 7.22 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 58 F 8.16 4.73 0.00 3.27 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.63 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 60 K 8.02 3.81 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 61 T 8.69 4.17 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 1.27 0.00 0.00 62 G 8.55 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 63 K 7.96 4.69 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 F 8.80 4.24 0.00 2.12 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 65 E 7.55 4.54 0.00 1.81 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 2.11 2.33 0.00 66 Y 8.78 4.08 0.00 3.11 3.04 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 0.00 0.00 0.00 67 D 8.22 4.33 0.00 2.78 2.65 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 68 V 8.23 3.46 1.97 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 0.84 0.00 0.00 0.75 0.00 0.00 69 A 7.96 3.98 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 70 K 7.75 4.24 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 I 7.37 4.11 1.94 0.00 0.00 0.70 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 0.59 0.91 0.00 0.00 72 S 8.46 4.35 0.00 3.81 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