NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4690 8.2893 120.3263 54.5780 33.4059 175.5755 2 P 4.2354 0.0000 0.0000 62.0871 32.4640 175.1422 3 L 4.2356 8.0595 120.7090 54.1035 43.2964 178.1484 4 E 4.0477 8.6409 120.0736 56.5499 29.8619 174.8761 5 A 4.3681 8.0756 122.1361 52.1782 22.0874 176.2617 6 G 3.6468 8.2885 101.4456 46.7475 0.0000 172.3353 7 L 3.4300 7.6594 120.9363 54.5304 40.7658 176.0421 8 L 4.2762 8.4322 122.6261 56.9940 40.6944 177.5219 9 E 4.1912 7.8964 118.1080 57.2607 29.9724 176.4647 10 I 3.8525 7.4068 120.6179 60.3337 38.5379 174.8724 11 L 4.3311 8.3768 127.9639 54.6790 41.4061 175.9443 12 A 4.5790 8.0646 124.8179 50.5565 22.0527 175.5070 13 C 4.1527 7.9505 120.2887 59.0514 28.8145 172.4949 14 P 4.2566 0.0000 0.0000 65.4769 31.1864 176.9149 15 A 4.5387 7.8797 117.2328 53.9615 21.2082 177.4639 16 C 4.4246 7.9179 109.6153 57.4507 27.8188 172.6378 17 H 3.6878 7.5604 118.9789 57.3241 29.7407 173.0595 18 A 4.3727 7.9609 126.5096 50.5081 22.5114 173.1289 19 P 4.3263 0.0000 0.0000 63.2174 32.4838 175.8165 20 L 5.1545 8.4034 121.6731 52.8627 45.2157 175.3862 21 E 4.7352 9.3942 123.5537 54.2150 32.2020 174.6127 22 E 4.5726 8.8383 125.5370 55.8544 31.3526 176.3022 23 R 4.4780 9.1389 122.7566 55.5234 34.0087 175.9808 24 D 4.2411 8.9097 126.4403 55.8494 40.5072 174.4173 25 A 4.8791 7.2145 128.2003 52.3566 20.3826 176.4463 26 E 5.0135 8.9525 117.2302 56.3281 34.7445 174.4154 27 L 5.1632 9.2032 121.8281 53.1421 44.8307 175.4933 28 I 4.9627 8.9921 124.2159 59.6235 39.7227 174.7557 29 C 4.7891 9.5952 125.5107 59.7780 29.2914 172.7284 30 T 4.7112 10.0851 114.1349 58.8821 70.8444 174.8869 31 G 3.8897 8.0478 110.0607 46.3824 0.0000 171.3120 32 Q 4.0640 8.4814 118.1993 59.0929 28.9488 176.8829 33 D 4.6838 7.8476 113.7784 54.3449 41.2558 176.4016 34 C 4.4825 7.6265 117.8626 59.1677 29.0826 172.2395 35 G 3.6908 7.2762 115.4424 45.7568 0.0000 173.7943 36 L 4.2974 7.6252 121.4324 54.4732 43.3894 175.5713 37 A 5.1486 8.7915 122.7201 50.3717 22.4868 175.0313 38 Y 4.8670 9.5271 119.2781 55.4332 40.5260 173.7018 39 P 4.7875 0.0000 0.0000 62.4050 33.4362 175.2129 40 V 4.4591 8.0328 121.0185 61.9753 32.7607 175.4519 41 R 4.5461 9.1997 126.8653 55.5796 32.2029 175.6856 42 D 4.4203 9.8631 121.6989 55.3742 38.4366 174.7938 43 G 3.9466 8.5576 104.8639 45.5132 0.0000 173.8409 44 I 4.4713 7.9857 121.6365 58.3658 39.2515 173.7852 45 P 4.6531 0.0000 0.0000 62.4959 32.0801 175.5962 46 V 4.2485 7.6445 120.4914 61.7620 32.2566 175.7183 47 L 4.5792 8.5571 126.3049 54.3544 42.5007 175.5921 48 L 4.6639 7.7225 119.5518 53.0017 43.3667 177.7921 49 V 3.8570 8.5470 123.4967 66.1557 31.8975 177.7456 50 D 4.3855 8.1632 118.2093 57.3239 40.7185 177.1940 51 E 4.1740 7.7097 114.6288 57.1299 29.9620 176.8156 52 A 3.8052 7.4976 121.2720 52.2627 19.1639 177.1662 53 R 4.5530 8.6484 119.6775 54.5028 32.9181 176.2383 54 R 4.4999 8.3145 120.7341 54.5981 31.5729 174.4659 55 P 4.2296 0.0000 0.0000 63.0745 32.1182 176.3642 56 E 4.1041 8.6530 121.0982 56.7908 29.4245 176.8802 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 4.47 0.00 2.02 2.13 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 2.48 0.00 2 P 0.00 4.24 0.00 2.25 2.05 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 2.05 0.00 3 L 8.06 4.24 0.00 1.66 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.64 4.05 0.00 2.07 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 2.27 2.31 0.00 5 A 8.08 4.37 1.24 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 0.00 0.00 0.00 6 G 8.29 3.65 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 0.00 0.00 0.00 7 L 7.66 3.43 0.00 1.90 1.68 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.43 4.28 0.00 1.74 1.78 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.90 4.19 0.00 1.97 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 0.00 2.29 2.28 0.00 10 I 7.41 3.85 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.97 0.00 0.00 11 L 8.38 4.33 0.00 1.74 1.63 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.06 4.58 1.06 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 0.00 0.00 13 C 7.95 4.15 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.03 2.22 0.00 3.44 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 15 A 7.88 4.54 1.28 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 0.00 0.00 0.00 16 C 7.92 4.42 0.00 3.13 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 17 H 7.56 3.69 0.00 3.15 3.32 0.00 5.77 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 18 A 7.96 4.37 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 19 P 0.00 4.33 0.00 2.08 1.98 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 20 L 8.40 5.15 0.00 1.43 1.48 0.85 0.73 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 21 E 9.39 4.74 0.00 2.00 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 2.19 2.26 0.00 22 E 8.84 4.57 0.00 2.02 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 2.26 2.30 0.00 23 R 9.14 4.48 0.00 1.75 1.78 0.00 3.25 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 24 D 8.91 4.24 0.00 2.99 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 0.00 0.00 0.00 25 A 7.21 4.88 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 26 E 8.95 5.01 0.00 1.88 1.81 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 2.23 2.34 0.00 27 L 9.20 5.16 0.00 1.60 1.55 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.99 4.96 2.01 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 0.85 0.95 0.00 0.00 29 C 9.60 4.79 0.00 3.34 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 30 T 10.09 4.71 4.25 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 1.23 0.00 0.00 31 G 8.05 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 32 Q 8.48 4.06 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 33 D 7.85 4.68 0.00 2.68 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 34 C 7.63 4.48 0.00 3.03 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 35 G 7.28 3.69 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 0.00 0.00 0.00 36 L 7.63 4.30 0.00 1.77 1.27 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.79 5.15 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.53 4.87 0.00 2.89 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 39 P 0.00 4.79 0.00 2.13 2.17 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 40 V 8.03 4.46 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 0.82 0.00 0.00 0.98 0.00 0.00 41 R 9.20 4.55 0.00 1.84 1.79 0.00 3.34 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 42 D 9.86 4.42 0.00 2.81 2.74 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 0.00 0.00 0.00 43 G 8.56 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 44 I 7.99 4.47 1.99 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 1.36 1.06 0.91 0.00 0.00 45 P 0.00 4.65 0.00 2.16 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 46 V 7.64 4.25 2.24 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 0.92 0.00 0.00 1.02 0.00 0.00 47 L 8.56 4.58 0.00 1.62 1.56 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.72 4.66 0.00 1.72 1.62 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.55 3.86 2.13 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 1.03 0.00 0.00 1.00 0.00 0.00 50 D 8.16 4.39 0.00 2.72 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 51 E 7.71 4.17 0.00 2.06 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 2.34 2.27 0.00 52 A 7.50 3.81 0.98 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 0.00 0.00 0.00 0.00 0.00 53 R 8.65 4.55 0.00 1.65 1.74 0.00 3.23 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 54 R 8.31 4.50 0.00 1.63 1.81 0.00 3.20 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 55 P 0.00 4.23 0.00 1.91 2.00 0.00 3.65 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 2.02 2.32 0.00 56 E 8.65 4.10 0.00 1.95 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