NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1551 8.2649 123.5823 52.6479 19.4819 175.6455 3 K 3.5064 7.6309 123.7294 53.7391 32.0451 173.5148 4 D 4.1753 8.1645 114.9435 52.4354 41.9645 173.5909 5 G 2.9516 9.6446 109.6434 43.9293 0.0000 170.2338 6 P 4.1484 0.0000 0.0000 61.9834 29.6227 175.2815 7 R 4.5740 7.5130 122.4323 55.1537 37.0465 175.2259 8 I 4.3826 7.2865 118.4726 59.4106 41.6017 173.1270 9 I 3.4423 8.2834 125.9374 60.1317 38.3496 172.6624 10 V 4.5747 8.0662 123.0178 59.9425 34.4989 175.4839 11 K 4.6905 8.3781 118.2548 56.1483 32.6050 175.7071 12 M 4.6983 7.5390 117.2259 54.3328 35.4499 176.8050 13 E 4.6276 8.6033 118.2173 56.4711 30.2180 175.0512 14 S 4.2709 8.2207 113.9546 58.5180 62.9049 171.9953 15 S 4.4947 7.8171 110.2375 58.2311 64.3282 175.8614 16 A 4.5410 8.2385 127.8250 49.4614 21.5724 175.5286 17 G 3.4735 8.4320 112.6766 46.6634 0.0000 174.3627 18 T 3.2388 8.5802 111.7378 62.1443 68.8430 172.4494 19 G 3.4033 6.9164 110.5381 43.3081 0.0000 173.5488 20 F 4.1967 5.4600 116.7362 58.0769 38.8707 174.5270 21 Y 5.3014 7.7447 117.3341 57.8916 41.7484 174.3101 22 Y 4.3495 8.9191 121.1372 58.4644 38.8281 177.7950 23 T 3.8051 8.2141 117.6598 63.2227 67.6388 172.1704 24 T 4.2978 8.5514 112.9954 61.5887 66.4209 171.2627 25 T 4.8210 7.4126 105.6045 59.3160 72.2754 173.0212 26 K 4.7210 7.8180 120.6313 56.7289 35.1231 173.0888 27 N 4.3536 7.5748 122.2256 52.1159 43.8598 174.6394 28 R 4.6102 6.3935 120.0180 55.4580 34.5396 175.2286 29 R 4.1270 8.4325 118.4052 57.3543 29.6396 177.6823 30 N 4.3709 8.1905 117.5687 56.7195 38.4979 176.0134 31 T 4.2007 7.5275 105.4562 60.5313 69.9125 173.6017 32 Q 3.9967 8.4305 120.1761 56.4926 29.1093 176.6626 33 A 4.5304 8.1769 122.2057 51.3311 20.6124 174.5703 34 K 3.9320 8.0601 117.8812 57.1645 30.8830 176.4988 35 L 4.0947 7.7258 123.4427 56.0325 43.3202 177.0325 36 E 4.9712 7.8897 117.8385 55.6013 30.9892 175.2766 37 L 4.3003 7.9480 121.5775 54.6276 43.3631 177.5389 38 K 4.4206 7.7808 121.6195 56.7928 35.6362 174.1917 39 K 4.2201 8.4469 125.6638 57.2417 36.1117 172.8139 40 Y 3.7797 8.9648 124.3928 56.0606 39.4064 168.4212 41 D 4.4591 8.2586 124.5164 54.2824 42.9434 174.5847 42 P 5.1587 0.0000 0.0000 62.7156 30.9913 176.4774 43 V 3.7521 8.7838 108.1593 62.6520 32.3985 175.4774 44 A 4.2903 7.4377 125.0551 50.3899 24.7957 179.3082 45 K 3.7607 9.7445 120.7944 59.3368 30.0012 174.8598 46 K 4.4418 8.2195 119.6026 57.4691 36.1782 176.0886 47 H 4.7522 8.0123 115.8190 55.2721 35.8636 175.2789 48 V 3.2447 7.7833 119.1402 60.1456 32.7605 172.5338 49 V 3.0086 8.5390 115.4312 64.6996 30.0135 173.4976 50 F 4.4018 9.0630 126.6592 57.1641 38.0064 175.3183 51 R 4.5806 8.4710 120.4042 55.0893 35.0223 173.2303 52 E 3.7609 8.1387 123.5411 55.8234 29.1689 172.4227 53 K 4.2520 7.5105 124.6033 55.5383 39.6767 174.9443 54 K 4.1740 7.9318 125.6370 56.4241 32.2009 176.2841 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 2 A 8.26 4.16 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 3 K 7.63 3.51 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 D 8.16 4.18 0.00 2.72 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 5 G 9.64 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 0.00 0.00 0.00 6 P 0.00 4.15 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 R 7.51 4.57 0.00 1.72 1.77 0.00 3.23 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 8 I 7.29 4.38 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 1.30 1.07 0.91 0.00 0.00 9 I 8.28 3.44 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 1.47 0.81 0.91 0.00 0.00 10 V 8.07 4.57 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 0.96 0.00 0.00 11 K 8.38 4.69 0.00 1.71 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.49 7.81 12 M 7.54 4.70 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 13 E 8.60 4.63 0.00 2.08 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 0.00 2.69 2.53 0.00 14 S 8.22 4.27 0.00 4.30 4.15 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 15 S 7.82 4.49 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.54 -0.16 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 0.00 0.00 17 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 3.24 4.16 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 1.17 0.00 0.00 19 G 6.92 3.40 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 0.00 20 F 5.46 4.20 0.00 3.01 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 21 Y 7.74 5.30 0.00 2.96 2.98 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 22 Y 8.92 4.35 0.00 3.07 3.09 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 0.00 0.00 0.00 23 T 8.21 3.81 4.31 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 1.16 0.00 0.00 24 T 8.55 4.30 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 1.16 0.00 0.00 25 T 7.41 4.82 4.20 0.00 0.00 0.00 0.00 0.00 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 26 K 7.82 4.72 0.00 1.68 1.74 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.65 7.81 27 N 7.57 4.35 0.00 2.72 2.60 0.00 0.00 5.70 7.66 0.00 0.00 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 R 6.39 4.61 0.00 1.91 2.15 0.00 3.14 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 29 R 8.43 4.13 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 N 8.19 4.37 0.00 2.69 2.88 0.00 0.00 6.90 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.53 4.20 4.23 0.00 0.00 0.00 0.00 0.00 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 32 Q 8.43 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 33 A 8.18 4.53 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.93 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.47 7.81 35 L 7.73 4.09 0.00 1.60 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.89 4.97 0.00 1.90 1.79 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 2.07 2.14 0.00 37 L 7.95 4.30 0.00 1.66 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 4.42 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.74 7.81 39 K 8.45 4.22 0.00 1.79 1.27 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.30 7.81 40 Y 8.96 3.78 0.00 2.93 2.81 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 0.00 0.00 0.00 41 D 8.26 4.46 0.00 2.41 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 0.00 0.00 0.00 0.00 42 P 0.00 5.16 0.00 2.10 1.15 0.00 3.91 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 1.92 1.88 0.00 43 V 8.78 3.75 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 0.51 0.00 0.00 0.80 0.00 0.00 44 A 7.44 4.29 0.95 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 45 K 9.74 3.76 0.00 1.83 1.62 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 46 K 8.22 4.44 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 H 8.01 4.75 0.00 3.12 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.78 3.24 1.96 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 0.33 0.00 0.00 0.76 0.00 0.00 49 V 8.54 3.01 1.96 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 0.77 0.00 0.00 0.91 0.00 0.00 50 F 9.06 4.40 0.00 3.29 3.03 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 51 R 8.47 4.58 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 8.14 3.76 0.00 2.38 1.94 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 2.32 2.36 0.00 53 K 7.51 4.25 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.39 7.81 54 K 7.93 4.17 0.00 1.75 1.65 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81