NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6138 8.2893 120.2771 54.6516 31.9469 173.9453 2 P 4.3409 0.0000 0.0000 62.1163 32.9857 176.3871 3 R 4.2396 9.1833 120.4478 56.4579 31.9329 177.7351 4 L 5.1298 8.8897 121.8228 52.7364 44.8212 175.4357 5 K 4.5105 8.7367 126.9433 55.9335 33.3764 175.7307 6 V 4.7348 8.7815 127.1152 60.9536 34.7643 173.7213 7 K 5.1275 8.3457 129.1903 53.5174 34.7534 174.6617 8 L 4.4671 8.4882 129.8920 55.3571 42.5827 177.3247 9 V 4.7338 8.4367 116.8378 59.8959 34.9851 175.6029 10 K 4.4155 8.1736 121.9889 53.9882 33.0639 175.7992 11 S 4.2060 8.7173 121.5166 58.1861 62.8083 172.1301 12 P 4.6523 0.0000 0.0000 63.5531 31.6486 175.2405 13 I 3.8682 7.2865 120.8658 65.9243 36.5654 175.1388 14 G 3.8460 8.7623 114.1589 45.7162 0.0000 172.7297 15 Y 4.4588 7.9129 117.5107 56.1187 39.1710 174.1153 16 P 4.3851 0.0000 0.0000 62.6436 33.4660 177.3727 17 K 3.8928 8.6850 121.0250 59.9548 32.1447 178.4872 18 D 4.4257 8.2585 118.7126 56.9328 38.7854 178.6598 19 Q 3.9655 8.0511 118.6152 58.6653 28.8593 178.6617 20 K 3.9357 7.8928 119.2955 59.5715 32.0985 179.2354 21 A 4.0250 8.1358 120.6732 54.8035 18.2303 179.5638 22 A 3.9245 7.9332 119.4853 55.5104 18.5164 179.9191 23 L 3.9568 7.6985 117.2984 57.7034 41.5447 179.7392 24 K 3.9680 8.0295 119.5556 59.2074 31.8780 178.8003 25 A 3.9743 7.7886 120.2931 55.2426 18.4898 179.4331 26 L 4.1079 7.8500 115.5547 55.4539 42.3037 177.0272 27 G 3.5693 7.7649 105.8844 46.4009 0.0000 174.5898 28 L 5.3662 8.1593 119.0338 52.1164 43.1002 176.8554 29 R 3.7710 8.8943 126.3651 57.6396 29.0351 179.2586 30 R 4.3516 8.4309 120.9822 54.9472 31.9622 176.5646 31 L 4.0611 8.1345 118.9386 56.0640 42.5475 176.2853 32 Q 4.0821 9.0152 120.6011 56.8282 27.0676 172.7000 33 Q 4.3917 7.3997 119.4362 55.5097 30.1948 175.1279 34 E 4.3246 8.7101 125.6088 56.3866 31.2336 176.5256 35 R 4.2029 7.9229 117.4487 56.0133 33.8593 173.2016 36 V 4.7946 8.5266 127.4834 61.7283 32.7255 174.8919 37 L 4.9465 8.7241 126.5844 52.6367 46.5340 175.6874 38 E 4.4071 8.8120 120.2478 56.4243 30.5793 176.2232 39 D 4.8873 8.2451 117.6400 54.1383 41.8868 176.8780 40 T 4.0513 7.7845 107.4938 60.8865 70.4512 172.0606 41 P 4.2477 0.0000 0.0000 65.6087 30.9531 179.0090 42 A 3.9372 7.8522 119.0942 55.4107 18.6695 179.5316 43 I 3.6616 7.7863 118.1746 64.5110 37.0445 178.8677 44 R 3.9691 8.1911 119.0879 59.2635 29.7560 178.8993 45 G 3.9119 7.6034 104.1810 48.2516 0.0000 175.0344 46 N 4.4615 7.8741 117.9381 56.2473 38.2359 177.8041 47 V 3.6220 7.6265 118.8684 65.6612 31.4613 177.7842 48 E 3.7891 8.5880 119.8129 59.1753 29.4041 178.5145 49 K 4.3026 7.7457 115.6369 57.8613 32.3409 177.9862 50 V 4.1294 7.0305 111.7744 60.7167 32.5975 177.1916 51 A 4.0367 8.0007 126.9656 55.6315 18.1428 179.9551 52 H 4.5747 8.0656 108.3634 56.9585 29.0775 175.5353 53 L 4.4600 8.1671 120.5744 55.1039 43.8734 176.6047 54 V 4.8661 7.3213 108.7074 59.4024 35.2681 175.8948 55 R 4.4987 8.4990 121.2230 54.4674 31.8698 176.1017 56 V 4.1508 8.3268 124.1784 62.8238 32.9049 175.0720 57 E 4.6531 9.0567 124.1228 54.7312 34.0302 174.9565 58 V 3.9787 8.5399 124.4699 61.9473 31.9418 175.7753 59 V 4.0547 8.4752 127.8823 62.8361 31.6053 175.2502 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 8.29 4.61 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 P 0.00 4.34 0.00 2.29 2.07 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 3 R 9.18 4.24 0.00 1.77 1.89 0.00 3.06 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 8.89 5.13 0.00 1.73 1.55 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.74 4.51 0.00 1.86 1.67 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 6 V 8.78 4.73 2.06 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 0.86 0.00 0.00 0.96 0.00 0.00 7 K 8.35 5.13 0.00 1.91 1.61 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.18 7.81 8 L 8.49 4.47 0.00 1.72 1.51 0.96 0.93 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 9 V 8.44 4.73 2.08 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 1.14 0.00 0.00 0.96 0.00 0.00 10 K 8.17 4.42 0.00 1.78 1.70 0.00 1.97 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 11 S 8.72 4.21 0.00 3.90 3.82 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 12 P 0.00 4.65 0.00 2.34 2.30 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 13 I 7.29 3.87 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.91 0.00 0.00 14 G 8.76 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 15 Y 7.91 4.46 0.00 3.10 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 16 P 0.00 4.39 0.00 2.33 2.04 0.00 4.02 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 2.22 2.23 0.00 17 K 8.68 3.89 0.00 1.80 1.83 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.47 7.81 18 D 8.26 4.43 0.00 2.92 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 19 Q 8.05 3.97 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 20 K 7.89 3.94 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.71 7.81 21 A 8.14 4.02 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 22 A 7.93 3.92 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 L 7.70 3.96 0.00 1.84 1.72 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.03 3.97 0.00 1.85 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.79 3.97 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 26 L 7.85 4.11 0.00 1.63 1.73 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.76 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 L 8.16 5.37 0.00 1.55 1.62 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.89 3.77 0.00 1.80 1.73 0.00 3.36 0.00 0.00 3.28 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 30 R 8.43 4.35 0.00 1.91 1.96 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 L 8.13 4.06 0.00 1.75 1.57 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.02 4.08 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.40 4.39 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 E 8.71 4.32 0.00 1.89 1.85 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 2.30 2.24 0.00 35 R 7.92 4.20 0.00 1.85 1.74 0.00 3.12 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 36 V 8.53 4.79 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 37 L 8.72 4.95 0.00 1.56 1.47 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.81 4.41 0.00 1.83 1.91 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 2.31 2.37 0.00 39 D 8.25 4.89 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.05 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 1.21 0.00 0.00 41 P 0.00 4.25 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.85 3.94 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 43 I 7.79 3.66 1.86 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 1.52 1.18 0.90 0.00 0.00 44 R 8.19 3.97 0.00 2.06 1.97 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 45 G 7.60 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 46 N 7.87 4.46 0.00 2.77 2.85 0.00 0.00 6.65 7.34 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 47 V 7.63 3.62 2.14 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 0.97 0.00 0.00 0.95 0.00 0.00 48 E 8.59 3.79 0.00 2.08 2.12 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 2.30 2.34 0.00 49 K 7.75 4.30 0.00 1.91 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.62 7.81 50 V 7.03 4.13 1.92 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 0.72 0.00 0.00 0.91 0.00 0.00 51 A 8.00 4.04 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 52 H 8.07 4.57 0.00 3.21 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.17 4.46 0.00 1.47 1.68 0.61 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.32 4.87 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 0.64 0.00 0.00 0.95 0.00 0.00 55 R 8.50 4.50 0.00 1.70 1.83 0.00 3.27 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 56 V 8.33 4.15 2.07 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 0.76 0.00 0.00 0.91 0.00 0.00 57 E 9.06 4.65 0.00 1.99 1.75 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 2.21 2.38 0.00 58 V 8.54 3.98 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 8.48 4.05 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00