NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9530 8.1293 121.6800 57.9356 38.5797 174.0744 2 D 4.2816 8.3364 123.0014 51.5694 40.0560 176.3971 3 G 3.8551 8.6392 108.6221 46.2638 0.0000 175.3944 4 Q 4.2485 8.4240 117.3866 55.6243 29.1935 175.2672 5 N 4.7097 7.9325 117.3274 52.1063 38.6802 173.7125 6 C 5.0711 8.3336 122.7012 54.9802 42.0984 174.8247 7 K 4.0584 8.6149 124.6745 59.1972 32.1591 176.9851 8 E 4.7144 7.7531 114.2594 53.9282 32.0075 172.4142 9 P 4.3639 0.0000 0.0000 64.8008 31.2414 176.7430 10 G 3.9103 9.4788 110.6492 45.3052 0.0000 172.9426 11 N 4.8646 8.3808 118.0066 51.9952 39.5020 173.0108 12 C 5.0124 8.5779 118.9545 55.8664 41.4675 174.4094 13 W 4.4430 7.8487 129.9160 57.5274 30.8192 175.2962 14 E 3.7681 5.9000 122.0954 53.8362 32.9870 175.0309 15 N 3.8390 7.1942 119.4572 52.1190 38.4269 175.1441 16 K 4.1893 8.1838 120.1992 54.9230 33.0849 174.7161 17 P 4.2786 0.0000 0.0000 65.0729 31.0435 176.6272 18 G 3.8782 9.2574 111.0353 45.0703 0.0000 172.3288 19 Y 4.8141 7.7081 117.0556 54.9490 40.5079 174.0445 20 P 4.5770 0.0000 0.0000 62.9502 32.0618 176.4654 21 E 4.3417 8.7508 119.2155 58.3265 29.8995 177.3406 22 K 4.6510 7.8205 118.7830 54.4753 35.1194 175.7976 23 I 4.0747 8.4209 118.5979 62.2850 38.4556 175.7509 24 A 4.2456 7.8733 124.7644 53.6381 18.4448 177.7040 25 G 3.9317 10.0143 112.6900 45.2566 0.0000 173.6095 26 S 4.5694 7.8577 115.1672 56.5942 64.9146 174.6345 27 K 4.1028 8.1662 117.7763 58.4998 32.5209 176.8871 28 Y 4.7744 7.3801 116.5264 57.7495 38.0704 174.9487 29 D 4.4927 7.7708 121.2105 53.6737 41.2344 174.7174 30 P 4.1945 0.0000 0.0000 63.7342 32.2339 176.3222 31 K 3.7544 8.2578 118.3321 57.6119 29.8766 174.9103 32 H 4.3757 7.6011 114.4347 55.4987 30.0223 176.0820 33 D 4.5009 8.6927 123.5926 53.2585 41.7605 175.2258 34 P 4.2977 0.0000 0.0000 65.8820 31.2293 178.4043 35 V 3.7090 8.5043 118.5738 66.0532 31.5701 177.8319 36 E 3.9723 8.1210 117.8244 59.4685 29.1539 179.1905 37 L 4.0281 7.7992 117.8843 57.2647 41.9446 178.3458 38 N 4.7049 7.8285 114.7082 53.4506 38.8125 177.0755 39 K 3.9779 7.9172 121.3790 59.5146 32.0934 179.0750 40 Q 3.9521 7.9854 117.8317 58.8772 28.7242 178.1388 41 E 3.9194 8.1248 119.7997 59.4279 29.7146 178.5675 42 E 3.9703 8.1978 118.5999 59.4003 29.5159 179.2969 43 S 4.0857 8.3313 113.3899 61.4682 62.4004 176.3347 44 I 3.7547 7.9519 122.5762 64.0981 36.9004 178.5537 45 K 3.9189 8.0976 119.1824 59.5482 32.0302 179.2647 46 A 4.0134 7.9421 120.9515 55.2009 18.2283 179.4405 47 M 3.9439 8.1319 116.7180 59.0350 32.4021 178.2411 48 D 4.3627 8.5176 119.1845 57.1803 40.7504 178.8001 49 A 3.9742 7.9422 121.1901 55.2245 18.4694 179.9169 50 R 3.8869 7.9180 116.4614 59.4944 30.1241 179.0918 51 N 4.4400 8.4033 116.1356 56.1982 38.5457 177.2874 52 A 4.0396 8.0451 122.5391 54.8669 18.2834 179.3609 53 K 4.1629 7.6899 115.2671 58.7857 33.0615 179.3063 54 R 4.1259 7.4240 118.8239 59.3692 30.1116 178.7665 55 I 3.7794 7.6107 117.6759 64.0092 37.0491 178.0722 56 A 4.1254 7.6679 120.9129 54.7462 18.2621 177.5980 57 N 4.6048 7.8362 118.4257 53.5986 38.9318 175.0366 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 4.95 0.00 2.64 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 2 D 8.34 4.28 0.00 2.79 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 3 G 8.64 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 4 Q 8.42 4.25 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 5 N 7.93 4.71 0.00 2.65 3.04 0.00 0.00 6.99 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 6 C 8.33 5.07 0.00 3.01 3.31 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 7 K 8.61 4.06 0.00 1.82 1.90 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.42 7.81 8 E 7.75 4.71 0.00 2.12 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 2.30 2.31 0.00 9 P 0.00 4.36 0.00 2.21 2.14 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 10 G 9.48 3.91 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 0.00 0.00 0.00 11 N 8.38 4.86 0.00 2.72 2.81 0.00 0.00 6.94 7.25 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 12 C 8.58 5.01 0.00 3.07 3.18 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 13 W 7.85 4.44 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 3.77 0.00 1.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.32 0.00 15 N 7.19 3.84 0.00 2.97 2.72 0.00 0.00 6.14 7.13 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 16 K 8.18 4.19 0.00 1.74 1.82 0.00 1.39 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.30 7.81 17 P 0.00 4.28 0.00 2.21 2.13 0.00 3.82 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 2.09 2.04 0.00 18 G 9.26 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 4.81 0.00 3.15 2.97 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 20 P 0.00 4.58 0.00 2.56 2.17 0.00 4.20 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 21 E 8.75 4.34 0.00 2.07 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 0.00 2.33 2.34 0.00 22 K 7.82 4.65 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.41 7.81 23 I 8.42 4.07 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 1.01 0.00 0.00 24 A 7.87 4.25 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 10.01 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.86 4.57 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 27 K 8.17 4.10 0.00 1.65 1.75 0.00 1.23 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.74 0.21 7.81 28 Y 7.38 4.77 0.00 3.11 2.95 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 D 7.77 4.49 0.00 2.84 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 30 P 0.00 4.19 0.00 1.63 2.06 0.00 3.94 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 1.83 1.90 0.00 31 K 8.26 3.75 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.48 7.81 32 H 7.60 4.38 0.00 3.15 3.20 0.00 5.70 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 8.69 4.50 0.00 2.72 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 4.30 0.00 2.26 2.19 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 35 V 8.50 3.71 2.22 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 1.02 0.00 0.00 0.96 0.00 0.00 36 E 8.12 3.97 0.00 2.16 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 2.40 2.35 0.00 37 L 7.80 4.03 0.00 1.77 1.72 0.92 1.00 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 38 N 7.83 4.70 0.00 2.70 2.83 0.00 0.00 6.87 6.95 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 39 K 7.92 3.98 0.00 1.93 1.85 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.67 7.81 40 Q 7.99 3.95 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 E 8.12 3.92 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 8.20 3.97 0.00 2.19 1.98 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 0.00 2.58 2.46 0.00 43 S 8.33 4.09 0.00 3.92 4.03 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 44 I 7.95 3.75 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.91 0.00 0.00 45 K 8.10 3.92 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 46 A 7.94 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.13 3.94 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 48 D 8.52 4.36 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.94 3.97 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 50 R 7.92 3.89 0.00 2.06 1.99 0.00 3.13 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 1.65 1.90 0.00 51 N 8.40 4.44 0.00 2.87 2.86 0.00 0.00 6.91 7.17 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 52 A 8.05 4.04 1.39 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 0.00 0.00 53 K 7.69 4.16 0.00 1.87 1.95 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.44 7.81 54 R 7.42 4.13 0.00 2.14 2.00 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 55 I 7.61 3.78 1.87 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 1.45 0.34 0.91 0.00 0.00 56 A 7.67 4.13 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 57 N 7.84 4.60 0.00 2.65 2.73 0.00 0.00 6.89 8.83 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