NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1952 8.2549 119.6660 55.4295 32.0985 176.1666 2 P 3.9278 0.0000 0.0000 61.1718 31.5129 174.8847 3 D 4.6639 8.2662 120.6760 53.7047 40.9336 176.7715 4 F 4.5993 7.5800 115.4965 59.0062 38.5790 178.0979 5 C 4.7034 7.3774 117.8190 59.1004 39.9511 174.2641 6 L 4.3122 7.7865 117.7788 55.1165 42.1250 176.7908 7 E 4.2077 7.8203 119.0065 55.2780 29.9484 175.2307 8 P 4.4027 0.0000 0.0000 61.4135 32.0991 174.6243 9 P 3.5994 0.0000 0.0000 62.9039 31.2536 175.7366 10 Y 4.6032 7.6007 119.8742 55.9306 40.2806 175.0168 11 T 4.1297 7.7856 124.6464 64.8326 68.7605 176.2230 12 G 3.7730 6.5036 107.0300 43.8727 0.0000 171.3367 13 P 4.3059 0.0000 0.0000 65.0882 31.6529 178.3932 14 C 4.5507 7.8363 114.8709 56.8779 40.7120 173.4097 15 K 4.4753 8.1367 118.7930 56.1230 32.5403 176.5950 16 A 4.2897 7.8713 121.1820 51.5008 20.4869 177.4490 17 R 4.5556 8.3704 118.9874 54.7988 31.8867 174.8470 18 I 4.5155 8.3124 127.6581 59.0238 40.5490 175.0597 19 I 4.1074 8.4041 128.3660 61.1579 38.5884 174.9547 20 R 4.7247 8.2890 126.9511 54.8223 35.2987 173.1405 21 Y 5.5678 9.2672 117.5071 56.4626 40.9119 175.4161 22 F 5.6872 9.2820 117.7604 55.0490 41.9328 173.4629 23 Y 4.1688 9.7217 123.3159 57.5169 39.8024 174.4678 24 N 4.6453 7.8708 126.5974 52.0504 38.8957 174.8123 25 A 3.9052 8.2845 130.4295 55.1212 18.6514 178.5252 26 K 4.0014 7.8541 116.1780 59.5735 32.4969 178.5604 27 A 4.1229 7.7880 119.4115 52.8554 18.3635 178.2517 28 G 3.9821 8.7282 104.7851 45.1610 0.0000 172.5053 29 L 4.5275 6.7090 118.7413 54.9845 43.7421 174.1420 30 C 5.0137 8.6048 116.2727 56.3647 41.0569 173.3290 31 Q 4.8915 8.4586 120.3437 54.3265 33.0804 174.3910 32 T 5.0120 8.5406 110.5455 61.1331 70.8507 173.6508 33 F 5.0263 8.9320 117.1213 55.7959 41.9861 173.0081 34 V 4.2001 8.4555 119.3232 62.0169 32.8175 173.6151 35 Y 4.7694 8.7531 130.0665 56.0139 40.4630 176.4249 36 G 3.8873 7.7271 112.9394 45.7544 0.0000 174.8938 37 G 3.9245 6.1341 106.3011 45.3344 0.0000 172.3623 38 C 4.9754 6.8324 111.8281 54.7404 44.5470 173.1369 39 R 3.8227 8.8006 116.2853 56.7516 26.9445 176.8512 40 A 4.1795 8.4781 119.3481 52.7915 18.7934 178.8186 41 K 4.2887 8.5090 121.8127 55.4541 33.6102 177.3029 42 R 3.5199 8.0264 117.9839 59.3032 30.3851 177.9029 43 N 5.0072 7.7145 116.5120 52.3247 37.1499 174.8716 44 N 5.1469 6.8105 116.7299 52.8680 41.5207 172.9461 45 F 4.9797 9.4187 124.2441 55.7163 42.6024 176.2259 46 K 4.4303 8.7896 120.6123 57.5683 32.6598 176.8990 47 S 3.9201 7.5409 112.9183 56.0948 66.6263 175.3314 48 A 3.4738 7.2778 122.4108 55.3223 18.1582 179.5228 49 E 3.8558 7.8569 116.5222 59.4261 29.1472 178.8985 50 D 4.3362 7.4462 118.8207 57.7682 40.9216 178.3649 51 C 2.4951 7.8166 118.3257 59.6005 44.7921 175.6106 52 M 3.7636 8.3734 120.3676 58.0950 31.2677 178.7274 53 R 3.9613 7.7213 117.1210 58.2158 30.3170 177.8566 54 T 4.4302 7.0877 113.5003 63.5794 70.2807 174.2169 55 C 4.4462 7.8773 115.3977 55.7598 42.3605 174.1217 56 G 3.6689 7.7731 108.5534 46.7121 0.0000 173.6113 57 G 3.8148 8.4867 110.3276 46.2300 0.0000 172.5266 58 A 4.1867 7.3847 125.0217 52.3953 19.1928 177.2214 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 R 8.25 4.20 0.00 1.71 1.98 0.00 3.12 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 2 P 0.00 3.93 0.00 1.24 1.48 0.00 3.40 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 3 D 8.27 4.66 0.00 2.78 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 4 F 7.58 4.60 0.00 3.15 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 5 C 7.38 4.70 0.00 3.04 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 6 L 7.79 4.31 0.00 1.80 1.78 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.82 4.21 0.00 2.09 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 2.57 2.50 0.00 8 P 0.00 4.40 0.00 1.96 1.92 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 9 P 0.00 3.60 0.00 0.89 0.49 0.00 3.31 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 10 Y 7.60 4.60 0.00 2.82 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 11 T 7.79 4.13 4.09 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 1.14 0.00 0.00 12 G 6.50 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 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.03 2.11 0.00 3.67 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 2.06 2.15 0.00 14 C 7.84 4.55 0.00 2.74 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 15 K 8.14 4.48 0.00 1.64 1.71 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.48 7.81 16 A 7.87 4.29 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.56 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 18 I 8.31 4.52 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.97 0.00 0.00 19 I 8.40 4.11 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.53 0.88 0.00 0.00 20 R 8.29 4.72 0.00 0.74 1.66 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 21 Y 9.27 5.57 0.00 3.30 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 22 F 9.28 5.69 0.00 3.37 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.72 4.17 0.00 2.96 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 24 N 7.87 4.65 0.00 2.30 2.42 0.00 0.00 6.65 7.87 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 25 A 8.28 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.00 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.50 7.81 27 A 7.79 4.12 1.19 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 0.00 0.00 28 G 8.73 3.98 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 0.00 29 L 6.71 4.53 0.00 1.68 1.76 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.60 5.01 0.00 2.87 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 31 Q 8.46 4.89 0.00 1.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 32 T 8.54 5.01 4.05 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 0.00 0.00 0.00 1.10 0.00 0.00 33 F 8.93 5.03 0.00 3.05 3.06 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 34 V 8.46 4.20 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 0.87 0.00 0.00 0.91 0.00 0.00 35 Y 8.75 4.77 0.00 2.47 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 36 G 7.73 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 37 G 6.13 3.92 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 0.00 0.00 0.00 38 C 6.83 4.98 0.00 3.05 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 39 R 8.80 3.82 0.00 2.21 2.25 0.00 3.32 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.48 4.18 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.51 4.29 0.00 1.74 1.67 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 1.12 7.81 42 R 8.03 3.52 0.00 0.67 0.66 0.00 2.70 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 43 N 7.71 5.01 0.00 3.23 2.93 0.00 0.00 6.67 7.79 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 44 N 6.81 5.15 0.00 2.72 2.59 0.00 0.00 7.08 7.02 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 45 F 9.42 4.98 0.00 3.37 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 46 K 8.79 4.43 0.00 1.84 1.94 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 47 S 7.54 3.92 0.00 3.74 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 48 A 7.28 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.86 3.86 0.00 1.99 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 2.34 2.38 0.00 50 D 7.45 4.34 0.00 2.82 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 2.50 0.00 2.92 3.08 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 52 M 8.37 3.76 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 53 R 7.72 3.96 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 54 T 7.09 4.43 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 1.37 0.00 0.00 55 C 7.88 4.45 0.00 2.68 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 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 57 G 8.49 3.81 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 0.00 0.00 0.00 58 A 7.38 4.19 0.83 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 0.00 0.00