NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5450 8.3049 120.3342 55.1287 33.4536 174.3244 2 K 4.4803 8.4192 120.2846 53.7061 34.6335 175.0300 3 K 4.4525 9.2936 122.9480 57.4364 34.4075 174.9763 4 Y 4.8910 8.9874 119.1133 56.5435 41.9161 174.8596 5 T 5.2864 8.7238 118.1274 61.5805 73.0486 172.9611 6 C 3.4032 8.6797 126.1810 59.4736 31.9718 174.2379 7 T 4.1316 8.8599 116.8622 62.4936 69.0296 175.6349 8 V 3.9902 7.4692 121.2674 64.2162 32.0472 175.7820 9 C 4.6866 7.7880 109.6829 57.1111 31.5317 174.0291 10 G 3.9591 8.9073 108.9700 45.2666 0.0000 173.1380 11 Y 4.0497 8.0103 120.2350 58.4932 39.6240 175.3845 12 I 4.7149 7.6068 127.4073 58.9175 38.5766 174.9182 13 Y 4.2676 9.0711 130.1975 57.5736 40.0333 173.7460 14 N 4.7993 8.0055 125.8670 50.9444 40.8684 173.2709 15 P 4.1788 0.0000 0.0000 65.5535 32.0642 178.4069 16 E 3.9973 8.2688 120.7236 58.6306 29.6786 176.8008 17 D 4.5745 7.7917 116.0802 53.6883 42.1477 177.8927 18 G 3.8537 7.3822 105.7322 45.2229 0.0000 173.0722 19 D 4.9811 8.2800 113.3797 51.4100 41.2497 175.2437 20 P 4.4685 0.0000 0.0000 65.1381 31.9253 179.1896 21 D 4.5392 8.2437 117.3615 56.2268 40.8995 176.4083 22 N 4.9224 8.5247 114.7105 52.9334 39.3789 175.1155 23 G 3.8991 8.2605 106.4605 45.0405 0.0000 174.0819 24 V 4.0733 7.8019 120.5771 60.9563 31.3194 175.2122 25 N 4.8906 8.3555 125.0280 51.6360 39.4417 173.0199 26 P 4.3459 0.0000 0.0000 64.7571 31.6111 177.2283 27 G 3.9003 9.2297 111.5322 45.4135 0.0000 173.8703 28 T 4.0615 7.6512 115.9672 62.6830 67.7873 173.3745 29 D 4.3779 8.5372 125.3808 53.9995 42.1493 177.5365 30 F 3.2646 9.0939 128.2145 60.8669 39.2318 176.6867 31 K 3.9855 7.8260 117.1432 58.1333 32.7308 177.1727 32 D 4.5113 7.6250 118.8703 54.8190 41.6421 177.0779 33 I 3.3966 6.5934 120.3957 60.1001 37.5221 174.1889 34 P 4.1074 0.0000 0.0000 63.4232 31.4793 176.6650 35 D 4.5269 8.6804 121.4512 55.3926 40.8117 176.3419 36 D 4.7619 7.7016 117.7486 52.5553 40.3653 176.3643 37 W 4.2163 8.5843 131.5711 57.9639 31.1028 175.4530 38 V 4.2950 7.1175 118.7448 58.8367 34.4165 174.9791 39 C 3.4423 8.9156 124.3040 59.4656 31.6038 173.2866 40 P 3.9246 0.0000 0.0000 64.9344 31.4307 177.5651 41 L 4.1616 7.6207 119.3452 57.2673 42.2942 176.9839 42 C 4.3505 7.9926 109.6780 57.6514 30.5579 174.4549 43 G 3.7525 8.2425 108.9839 45.5460 0.0000 173.5125 44 L 4.3588 7.4856 119.7315 53.6501 43.2096 176.2469 45 G 4.2656 8.0904 108.9984 43.9849 0.0000 174.5038 46 K 4.4537 8.6907 117.1745 59.2193 32.0378 178.5614 47 D 4.7806 8.2041 116.6907 55.6655 41.4075 176.7466 48 Q 4.4392 8.4484 118.2108 56.0813 29.0502 175.1549 49 F 5.1402 8.3485 117.8627 56.6551 40.2819 175.0833 50 E 4.8836 9.0888 119.5595 53.9679 33.0763 174.4716 51 E 2.6006 8.7163 121.7027 56.8411 29.9501 176.2595 52 V 4.1518 8.0027 126.6827 61.4929 33.1963 175.6569 53 E 4.2250 8.4216 124.9895 56.5734 30.1005 175.7826 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 4.55 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 2 K 8.42 4.48 0.00 1.64 1.64 0.00 1.85 0.00 0.00 2.16 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.63 7.81 3 K 9.29 4.45 0.00 1.67 1.83 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 4 Y 8.99 4.89 0.00 2.59 2.60 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 5 T 8.72 5.29 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 1.23 0.00 0.00 6 C 8.68 3.40 0.00 2.11 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.86 4.13 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 1.29 0.00 0.00 8 V 7.47 3.99 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 0.83 0.00 0.00 0.92 0.00 0.00 9 C 7.79 4.69 0.00 3.06 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 10 G 8.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.05 0.00 3.23 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 12 I 7.61 4.71 1.69 0.00 0.00 0.78 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 1.03 0.85 0.00 0.00 13 Y 9.07 4.27 0.00 3.62 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 14 N 8.01 4.80 0.00 2.66 2.45 0.00 0.00 6.94 7.71 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 15 P 0.00 4.18 0.00 2.21 2.50 0.00 3.69 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 2.11 2.27 0.00 16 E 8.27 4.00 0.00 1.90 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 0.00 2.27 2.32 0.00 17 D 7.79 4.57 0.00 2.73 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 18 G 7.38 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 19 D 8.28 4.98 0.00 3.25 2.91 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 0.00 0.00 0.00 20 P 0.00 4.47 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 21 D 8.24 4.54 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 22 N 8.52 4.92 0.00 3.05 2.90 0.00 0.00 7.24 7.65 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 23 G 8.26 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 0.00 0.00 0.00 24 V 7.80 4.07 2.31 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 0.90 0.00 0.00 0.77 0.00 0.00 25 N 8.36 4.89 0.00 2.88 2.74 0.00 0.00 7.05 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 26 P 0.00 4.35 0.00 2.04 2.17 0.00 3.65 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 2.04 2.11 0.00 27 G 9.23 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 0.00 0.00 0.00 28 T 7.65 4.06 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 1.06 0.00 0.00 29 D 8.54 4.38 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 3.26 0.00 2.53 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 0.00 0.00 0.00 31 K 7.83 3.99 0.00 1.87 2.00 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 32 D 7.63 4.51 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.59 3.40 0.94 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 0.64 -0.04 -0.14 0.00 0.00 34 P 0.00 4.11 0.00 2.27 1.96 0.00 3.39 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 35 D 8.68 4.53 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 4.76 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.58 4.22 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.12 4.30 1.71 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 0.68 0.00 0.00 0.59 0.00 0.00 39 C 8.92 3.44 0.00 3.29 2.85 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 40 P 0.00 3.92 0.00 1.89 1.94 0.00 2.32 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.11 0.00 41 L 7.62 4.16 0.00 1.67 1.73 0.95 0.97 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 42 C 7.99 4.35 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 0.00 0.00 44 L 7.49 4.36 0.00 1.75 1.65 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.09 4.27 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 0.00 46 K 8.69 4.45 0.00 1.90 1.97 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.76 7.81 47 D 8.20 4.78 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 48 Q 8.45 4.44 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 49 F 8.35 5.14 0.00 3.37 2.86 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 50 E 9.09 4.88 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 51 E 8.72 2.60 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.53 0.00 52 V 8.00 4.15 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 0.74 0.00 0.00 0.87 0.00 0.00 53 E 8.42 4.23 0.00 1.87 1.74 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 0.00 2.15 2.27 0.00