NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8202 8.2833 118.0711 53.3107 40.8197 172.5360 2 S 4.8962 8.4760 115.2629 56.2677 66.5107 171.9076 3 Y 4.9131 8.6505 123.9578 55.0489 43.0025 171.9891 4 P 4.3938 0.0000 0.0000 62.9640 31.8370 175.7750 5 G 4.0586 8.1478 108.6258 46.1813 0.0000 173.7185 6 C 5.1784 8.6930 116.8204 55.3718 45.2392 171.7273 7 P 4.4415 0.0000 0.0000 62.1601 32.1491 176.8924 8 S 4.5151 8.2705 112.7884 58.9078 62.9682 175.4472 9 S 4.0262 7.7562 117.8974 61.1251 63.2535 174.1527 10 Y 4.7369 7.0253 119.0563 58.1380 37.8594 176.7379 11 D 5.1884 9.2057 130.1772 56.8645 41.7498 176.4179 12 G 3.7490 7.9977 117.1990 46.1721 0.0000 172.9420 13 Y 3.9299 8.0419 119.8776 59.3378 39.4677 176.0266 14 C 4.9278 7.5040 115.8810 55.0267 42.0010 172.9070 15 L 4.7484 7.9764 122.5962 54.0023 44.9089 175.6748 16 N 4.6324 8.6149 121.0487 52.3818 36.5077 175.9438 17 G 4.8685 6.5654 121.7568 45.9123 0.0000 170.6162 18 G 4.2167 7.3675 110.7665 45.1622 0.0000 168.6787 19 V 4.6276 8.5403 118.1258 61.0571 35.0180 173.8045 20 C 5.2480 8.6828 125.8662 55.8102 46.1260 172.5021 21 M 4.9253 8.6444 121.7562 54.3052 34.6584 173.6387 22 H 4.8310 9.2551 121.6083 55.5467 31.9024 173.7429 23 I 4.7480 7.8477 122.5546 59.3507 40.2838 175.4084 24 E 4.4145 8.5750 122.1613 56.3877 30.1371 177.2769 25 S 4.2392 8.0794 116.0243 60.5830 62.6351 174.6939 26 L 4.6685 7.2526 116.4917 53.5537 43.1533 175.9134 27 D 4.4593 8.1051 115.4818 55.2236 39.7458 173.2537 28 S 4.7565 7.1457 111.8002 57.1348 64.4723 171.9410 29 Y 4.8234 8.4361 119.6516 56.4764 40.6113 175.0554 30 T 4.8698 8.3439 116.3987 61.2855 71.6549 171.2398 31 C 5.4379 8.7023 117.3850 55.8178 44.0931 173.7668 32 N 4.7354 8.9614 120.9247 51.8427 39.7530 173.0169 33 C 4.7055 8.0054 118.8763 55.8670 44.8567 172.2664 34 V 4.6527 7.7931 109.8328 59.0498 35.4186 174.6570 35 I 4.1563 8.5411 121.3143 63.9275 37.1235 176.7484 36 G 4.2460 10.8342 113.0348 44.8594 0.0000 172.1138 37 Y 5.5973 8.8039 114.6811 58.3423 43.0102 174.0644 38 S 4.2240 8.1742 116.8276 57.9246 66.2478 172.9576 39 G 3.9871 7.5353 105.5032 44.9597 0.0000 174.7702 40 D 4.4988 8.8632 119.3441 56.1593 41.4741 176.8213 41 R 4.8954 7.1117 113.9684 56.8764 35.9365 176.2012 42 C 4.8392 7.9556 113.7659 56.2956 42.7728 175.3347 43 Q 4.0173 8.3638 123.5963 59.6607 29.4466 177.2706 44 T 4.3783 8.0914 118.1108 62.9602 66.4021 174.5689 45 R 5.0330 7.7526 125.1114 55.0413 27.4344 174.6438 46 D 4.4893 7.8186 122.8247 54.1885 45.9739 175.7911 47 L 3.7012 8.8086 123.2377 53.2447 40.6774 177.7155 48 R 3.1175 8.1936 128.2786 55.8210 27.2873 173.8541 49 W 4.0677 8.2537 129.8275 57.5078 30.1949 175.1734 50 W 4.9685 7.9394 123.6269 55.2294 28.2331 174.8200 51 E 4.4753 6.8642 114.2853 56.0922 31.3933 173.6624 52 L 4.3390 7.2809 118.6890 54.4152 43.7550 176.2859 53 R 4.1839 8.7431 118.3154 57.0462 30.9851 175.7842 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 N 8.28 4.82 0.00 2.82 2.81 0.00 0.00 6.76 6.67 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 2 S 8.48 4.90 0.00 3.75 3.67 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 3 Y 8.65 4.91 0.00 3.12 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 4 P 0.00 4.39 0.00 1.82 1.83 0.00 3.03 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.67 0.00 5 G 8.15 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 0.00 0.00 0.00 6 C 8.69 5.18 0.00 2.97 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 7 P 0.00 4.44 0.00 2.05 2.03 0.00 3.17 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 8 S 8.27 4.52 0.00 3.82 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 9 S 7.76 4.03 0.00 2.72 3.26 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 10 Y 7.03 4.74 0.00 3.01 2.82 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 11 D 9.21 5.19 0.00 2.74 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 12 G 8.00 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 13 Y 8.04 3.93 0.00 2.84 2.88 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 14 C 7.50 4.93 0.00 2.99 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 15 L 7.98 4.75 0.00 1.52 1.49 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.61 4.63 0.00 2.44 2.25 0.00 0.00 6.53 7.69 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 17 G 6.57 4.87 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 18 G 7.37 4.22 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 0.00 19 V 8.54 4.63 2.21 0.00 0.00 0.00 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 0.90 0.00 0.00 20 C 8.68 5.25 0.00 3.01 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 21 M 8.64 4.93 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 22 H 9.26 4.83 0.00 3.25 3.41 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.85 4.75 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.88 0.00 0.00 24 E 8.58 4.41 0.00 1.87 1.83 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 0.00 2.10 2.15 0.00 25 S 8.08 4.24 0.00 3.78 3.83 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 0.00 0.00 0.00 0.00 26 L 7.25 4.67 0.00 1.66 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.11 4.46 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.15 4.76 0.00 4.02 3.67 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 29 Y 8.44 4.82 0.00 2.25 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 0.00 0.00 0.00 30 T 8.34 4.87 4.18 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 1.20 0.00 0.00 31 C 8.70 5.44 0.00 3.22 2.93 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 32 N 8.96 4.74 0.00 2.65 2.84 0.00 0.00 6.03 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 33 C 8.01 4.71 0.00 3.04 3.02 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 0.00 0.00 0.00 34 V 7.79 4.65 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 0.85 0.00 0.00 1.11 0.00 0.00 35 I 8.54 4.16 2.01 0.00 0.00 1.00 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 0.69 0.96 0.00 0.00 36 G 10.83 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 0.00 0.00 0.00 0.00 37 Y 8.80 5.60 0.00 3.14 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 38 S 8.17 4.22 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.50 0.00 2.74 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 41 R 7.11 4.90 0.00 1.89 1.99 0.00 2.62 0.00 0.00 2.25 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 42 C 7.96 4.84 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 Q 8.36 4.02 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 7.45 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 44 T 8.09 4.38 4.33 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 0.00 0.00 0.00 1.47 0.00 0.00 45 R 7.75 5.03 0.00 1.54 2.09 0.00 2.65 0.00 0.00 3.84 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 46 D 7.82 4.49 0.00 2.77 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 47 L 8.81 3.70 0.00 1.50 1.28 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.19 3.12 0.00 0.67 1.26 0.00 3.37 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.00 49 W 8.25 4.07 0.00 3.04 3.16 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 0.00 0.00 0.00 50 W 7.94 4.97 0.00 3.22 3.19 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 0.00 0.00 0.00 0.00 51 E 6.86 4.48 0.00 1.90 1.86 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 2.04 2.00 0.00 52 L 7.28 4.34 0.00 1.77 1.26 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.74 4.18 0.00 1.96 1.92 0.00 3.45 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00