NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6489 8.3249 119.4673 57.3980 40.3665 173.9758 2 E 4.4788 8.5313 122.7281 53.5621 32.0095 174.5266 3 N 4.6147 9.3756 121.1729 53.4678 39.1870 174.0682 4 R 4.6038 8.3100 124.7914 56.1456 30.9401 179.0028 5 V 3.6026 8.6963 121.0443 66.2962 31.4249 177.6259 6 A 4.3447 8.0363 121.1368 54.7194 18.1399 179.3394 7 E 3.9951 8.1390 116.6314 59.4713 29.4700 179.6366 8 K 4.2214 7.9726 118.1479 59.3729 31.7111 179.3202 9 Q 4.1054 8.5098 119.0849 58.6246 28.5913 178.6972 10 K 3.9339 7.9617 120.2310 59.3494 32.2044 178.3008 11 L 3.7379 7.6688 120.5091 58.4767 41.7553 178.7722 12 F 4.2755 8.1074 114.2311 58.7317 39.0677 176.4865 13 Q 4.5948 7.5707 116.4661 54.0635 29.6565 175.1913 14 E 3.8259 7.2124 121.8829 56.8919 29.9239 176.9435 15 D 4.6366 8.4655 126.5912 52.9217 39.7314 174.7354 16 N 4.8197 8.0785 116.8805 51.2747 38.2281 176.2348 17 G 3.8888 8.1523 105.2589 46.1474 0.0000 173.8688 18 L 4.3281 8.0958 120.0158 52.9565 42.7086 175.1590 19 P 4.6088 0.0000 0.0000 61.8693 32.4522 177.6849 20 V 3.4739 8.3087 118.6712 64.8655 31.4001 177.4954 21 H 4.5691 8.2193 113.7649 56.6170 28.9212 175.3547 22 L 4.5944 8.3368 119.9431 54.4523 43.1105 177.7942 23 K 4.1076 7.8383 119.7248 57.9835 32.1635 177.5097 24 G 3.6732 8.7111 106.8855 45.9767 0.0000 171.9855 25 G 3.6334 7.7341 104.9657 43.9921 0.0000 174.3043 26 A 4.0568 8.7236 119.4564 55.2011 18.1554 179.8701 27 T 3.8631 8.0062 114.2303 67.1758 68.4439 176.0203 28 D 4.4650 8.1990 120.5500 57.4175 40.7560 178.7154 29 N 4.4212 8.0212 116.4256 56.3583 38.6751 177.1804 30 I 3.7058 7.6273 120.6026 64.4257 37.1872 178.1425 31 L 3.9504 7.9182 120.9504 58.2922 41.8186 178.1234 32 Y 4.1292 8.4108 119.7055 61.0611 38.6743 178.4693 33 R 3.6142 8.4747 119.0865 59.0721 30.1380 179.1984 34 V 3.5144 8.2947 118.1988 66.2831 31.5338 178.1097 35 T 3.7777 7.9636 115.5428 67.0376 68.2865 176.3963 36 M 4.0060 7.8558 120.1111 58.6176 32.0367 178.3623 37 T 3.7991 8.0029 116.3829 66.5900 68.5641 176.6189 38 L 3.9583 8.0054 120.8933 57.8303 41.5288 179.3533 39 C 4.1192 8.4498 117.0352 62.8343 28.1038 176.2661 40 L 4.0752 8.2784 120.9280 57.7452 41.2816 179.8246 41 G 3.7033 8.4074 106.0790 47.6692 0.0000 175.7435 42 G 3.7924 8.4154 108.8358 48.0342 0.0000 175.8404 43 T 3.9247 8.2431 118.7891 66.1332 68.4304 176.7118 44 L 4.0289 8.1263 120.9501 58.1228 41.6516 178.8736 45 Y 4.4552 8.6915 119.9356 60.8545 38.5806 178.4628 46 S 3.9469 8.4473 115.4532 61.2652 63.0572 176.2077 47 L 3.9579 8.4514 123.1725 57.8405 41.3641 178.7563 48 Y 4.1671 8.4912 119.5274 61.2654 38.6150 178.2316 49 C 3.9636 8.2973 117.7582 62.3003 28.0695 175.9239 50 L 4.0193 8.1174 122.4720 58.0531 41.5425 179.0714 51 G 3.7211 8.1277 104.5716 47.6378 0.0000 174.6443 52 W 4.2661 8.1138 131.3053 60.2928 30.4750 177.5601 53 A 4.2255 8.2720 117.6208 53.6521 18.1497 178.7671 54 S 4.0499 7.8240 112.5981 58.6306 63.3548 174.0196 55 F 4.7309 6.7219 118.5298 54.5559 42.2643 173.2305 56 P 4.3966 0.0000 0.0000 63.0349 31.7063 176.1498 57 H 4.6231 8.6678 114.8750 55.1264 30.4393 174.3824 58 K 4.1999 8.1422 124.0152 56.5143 31.2614 176.0590 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 F 8.32 4.65 0.00 2.95 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 2 E 8.53 4.48 0.00 2.04 1.87 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 2.24 2.37 0.00 3 N 9.38 4.61 0.00 2.71 2.79 0.00 0.00 6.95 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 4 R 8.31 4.60 0.00 1.92 1.93 0.00 3.65 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 5 V 8.70 3.60 2.18 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 1.10 0.00 0.00 0.98 0.00 0.00 6 A 8.04 4.34 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 7 E 8.14 4.00 0.00 2.15 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 0.00 2.34 2.37 0.00 8 K 7.97 4.22 0.00 2.04 2.09 0.00 1.98 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.76 1.57 7.81 9 Q 8.51 4.11 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 10 K 7.96 3.93 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.67 3.74 0.00 1.68 1.65 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.11 4.28 0.00 3.25 3.15 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 13 Q 7.57 4.59 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 14 E 7.21 3.83 0.00 2.02 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 2.29 2.23 0.00 15 D 8.47 4.64 0.00 2.67 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 16 N 8.08 4.82 0.00 2.77 2.80 0.00 0.00 6.32 7.00 0.00 0.00 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 8.15 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 18 L 8.10 4.33 0.00 1.62 1.55 0.87 0.83 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 19 P 0.00 4.61 0.00 2.24 2.17 0.00 3.60 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 1.79 1.87 0.00 20 V 8.31 3.47 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 0.95 0.00 0.00 0.95 0.00 0.00 21 H 8.22 4.57 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.34 4.59 0.00 1.61 1.59 0.70 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.84 4.11 0.00 1.93 2.10 0.00 2.04 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.34 7.81 24 G 8.71 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 0.00 0.00 0.00 25 G 7.73 3.63 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 0.00 0.00 0.00 26 A 8.72 4.06 1.33 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 0.00 0.00 0.00 27 T 8.01 3.86 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 1.25 0.00 0.00 28 D 8.20 4.46 0.00 2.99 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 29 N 8.02 4.42 0.00 3.03 2.92 0.00 0.00 7.14 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 30 I 7.63 3.71 2.08 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 1.43 0.77 0.93 0.00 0.00 31 L 7.92 3.95 0.00 2.00 1.87 0.94 0.92 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 32 Y 8.41 4.13 0.00 3.24 3.35 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 33 R 8.47 3.61 0.00 2.07 1.96 0.00 3.31 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 34 V 8.29 3.51 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.96 3.78 4.26 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 1.19 0.00 0.00 36 M 7.86 4.01 0.00 1.61 1.44 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 37 T 8.00 3.80 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 38 L 8.01 3.96 0.00 1.81 1.69 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.45 4.12 0.00 3.00 2.96 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 40 L 8.28 4.08 0.00 1.74 1.71 0.91 0.78 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 41 G 8.41 3.70 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 0.00 0.00 0.00 42 G 8.42 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.24 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.13 4.03 0.00 1.93 1.80 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.69 4.46 0.00 3.00 3.22 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 46 S 8.45 3.95 0.00 4.04 4.11 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 47 L 8.45 3.96 0.00 1.90 1.84 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.49 4.17 0.00 3.14 3.21 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 0.00 0.00 0.00 0.00 49 C 8.30 3.96 0.00 2.90 2.83 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 50 L 8.12 4.02 0.00 1.85 1.82 0.92 1.10 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 51 G 8.13 3.72 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 0.00 0.00 0.00 52 W 8.11 4.27 0.00 3.03 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.82 4.05 0.00 3.59 3.37 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 55 F 6.72 4.73 0.00 2.84 2.75 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 56 P 0.00 4.40 0.00 1.97 1.91 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 57 H 8.67 4.62 0.00 3.01 3.30 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.14 4.20 0.00 1.83 2.13 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.31 7.81