NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4228 8.1627 120.6120 55.5038 34.4795 173.9607 2 Q 4.7271 8.4947 124.1634 52.6903 31.3274 172.6103 3 I 4.8677 9.1662 122.0785 59.3936 41.2056 174.0141 4 F 5.0964 9.1735 121.6585 55.6908 42.2000 174.8134 5 V 4.6909 8.9692 123.0284 60.9771 33.6804 174.5054 6 K 4.7408 8.9915 130.6470 56.4484 33.5781 176.4563 7 T 5.1172 8.2445 116.8462 60.4189 71.1345 174.2355 8 L 4.7179 8.3525 121.8385 55.6070 41.9621 176.8213 9 T 4.6133 7.4183 106.1962 61.2396 69.3520 173.4861 10 G 3.9394 8.5106 107.5094 47.2824 0.0000 173.7793 11 K 4.6287 7.6860 119.9380 54.4493 35.2173 174.7102 12 T 5.1907 8.7097 123.4170 61.9365 71.2338 173.4978 13 I 4.4610 8.7081 126.6940 60.0990 39.9074 174.9059 14 T 4.1900 8.3164 122.4264 61.9197 69.7472 173.8074 15 L 4.6320 8.3004 127.2045 52.5719 44.8762 175.5535 16 E 4.6501 8.6634 124.8033 56.0466 30.1097 175.4217 17 V 4.4748 8.6911 122.0116 60.6632 35.6699 173.9945 18 E 4.7595 8.3906 119.6334 54.8439 33.8590 174.4610 19 P 4.3436 0.0000 0.0000 64.9267 31.6085 177.5232 20 S 4.4515 7.8863 112.4153 58.0021 62.6022 172.8553 21 D 4.7273 7.6979 119.5835 53.3758 41.8918 176.2782 22 T 4.6477 8.1464 113.3663 61.3537 71.2818 176.0262 23 I 3.7235 8.4911 124.0438 64.6167 37.1913 178.5016 24 E 3.9154 7.9534 119.5567 59.1738 29.4870 178.4698 25 N 4.3078 7.9252 117.1385 56.4987 39.0216 177.1072 26 V 3.5685 7.7324 119.5437 66.0067 31.6479 178.1256 27 K 4.0805 8.3176 118.1459 59.5012 31.8442 179.1907 28 A 4.0443 8.0106 120.9137 54.8870 18.3648 179.9124 29 K 3.9138 7.8837 117.0083 59.7914 32.0935 179.7302 30 I 3.8010 7.8185 119.9814 64.0824 36.9296 178.3158 31 Q 4.2463 7.9307 122.2011 58.6574 28.6606 177.7771 32 D 4.4325 7.9432 119.0909 56.6725 40.9191 178.5804 33 K 4.1434 7.7562 118.1007 58.7915 32.3714 178.3295 34 E 4.3810 8.7658 117.1969 59.6517 30.3959 176.4991 35 G 4.0876 8.2781 105.2247 46.2639 0.0000 174.3462 36 I 3.8442 7.7531 122.4069 60.4023 37.9916 173.8661 37 P 4.4858 0.0000 0.0000 61.9734 32.4237 175.7262 38 P 4.2740 0.0000 0.0000 65.7939 31.6265 178.2776 39 D 4.5072 8.1363 117.2903 55.5377 39.6444 177.1817 40 Q 4.2585 7.7317 117.5399 57.6826 29.5919 176.0272 41 Q 4.5083 7.7523 116.5639 56.3194 29.4702 176.6048 42 R 4.5466 8.9394 123.0125 54.3419 33.3258 174.8851 43 L 4.7010 8.5434 124.7003 53.7760 42.9881 175.4134 44 I 4.9233 8.7561 125.9404 59.3261 39.6020 174.8447 45 F 4.8481 8.9048 128.2318 56.9105 42.7012 174.4835 46 A 3.3000 8.8898 126.6586 52.9543 16.4645 176.6482 47 G 3.6204 9.3006 101.8483 46.9044 0.0000 175.6720 48 K 4.3517 7.5842 115.3049 55.0178 36.9430 175.7712 49 Q 4.4592 8.6642 126.0251 56.1761 29.7358 175.0841 50 L 4.2028 8.2482 125.6076 53.2355 42.2372 176.4808 51 E 4.3494 9.2312 122.0116 56.2884 30.1765 177.8638 52 D 4.6264 8.8529 121.2537 56.7793 41.4381 179.1907 53 G 3.6768 8.0162 107.1187 47.6932 0.0000 174.3537 54 R 4.2144 7.5421 119.1957 56.0838 30.9082 175.7712 55 T 5.8078 7.6123 109.4328 59.6034 71.2635 174.0913 56 L 4.2842 8.3535 119.6465 57.7154 42.2383 179.5580 57 S 4.1762 8.1370 113.7797 61.0218 63.2501 176.1993 58 D 4.1670 7.4472 120.1166 56.6487 40.5146 176.6543 59 Y 4.4683 7.7249 114.8802 57.1558 38.7437 175.2118 60 N 4.0721 7.7722 115.4744 54.7813 37.6339 173.9162 61 I 4.2445 7.4072 117.8215 59.7440 39.6693 176.0376 62 Q 4.8810 7.8598 124.1283 53.7856 31.9160 175.4001 63 K 4.2156 8.4115 116.8703 58.0041 33.3204 176.1781 64 E 4.1768 8.9666 116.8287 57.5121 27.8669 174.8558 65 S 4.6070 7.7370 113.7219 58.5966 64.2840 173.4679 66 T 4.9851 8.7121 121.6128 62.6217 69.2505 174.2342 67 L 4.8574 9.0007 127.2882 53.6709 44.6793 175.8426 68 H 4.9147 9.0107 119.7630 54.4881 29.6770 174.4062 69 L 4.7772 8.6351 126.6585 54.7316 43.0754 175.8880 70 V 4.6269 8.6471 123.4269 61.3461 36.0123 173.4844 71 L 5.1164 8.4210 122.9411 52.8630 43.7892 175.9931 72 R 4.4970 8.4427 124.8684 55.0392 31.1676 175.7096 73 L 4.7064 8.3321 125.2362 53.2849 45.7111 177.1177 74 R 4.4973 8.5308 126.2267 55.1890 29.5733 175.4780 75 G 4.2079 7.8787 107.9958 46.7680 0.0000 172.5774 76 G 3.4533 8.1790 113.1860 44.7949 0.0000 172.3951 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 8.16 4.42 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 Q 8.49 4.73 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 1.96 2.29 0.00 3 I 9.17 4.87 1.91 0.00 0.00 0.84 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 0.44 0.92 0.00 0.00 4 F 9.17 5.10 0.00 3.05 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 5 V 8.97 4.69 2.09 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 1.04 0.00 0.00 0.94 0.00 0.00 6 K 8.99 4.74 0.00 1.86 1.62 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 7 T 8.24 5.12 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 1.27 0.00 0.00 8 L 8.35 4.72 0.00 1.66 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.42 4.61 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 1.22 0.00 0.00 10 G 8.51 3.94 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 0.00 0.00 0.00 11 K 7.69 4.63 0.00 1.87 1.63 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 12 T 8.71 5.19 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 1.42 0.00 0.00 13 I 8.71 4.46 1.86 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 1.23 0.62 0.87 0.00 0.00 14 T 8.32 4.19 4.01 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 0.20 0.00 0.00 15 L 8.30 4.63 0.00 1.46 1.46 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.65 0.00 1.92 1.82 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 2.31 2.30 0.00 17 V 8.69 4.47 2.17 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 0.71 0.00 0.00 0.90 0.00 0.00 18 E 8.39 4.76 0.00 2.10 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 2.21 2.22 0.00 19 P 0.00 4.34 0.00 2.20 2.29 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 20 S 7.89 4.45 0.00 3.83 3.86 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 0.00 0.00 0.00 21 D 7.70 4.73 0.00 2.92 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.65 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.49 3.72 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.99 0.89 0.00 0.00 24 E 7.95 3.92 0.00 2.14 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 2.31 2.47 0.00 25 N 7.93 4.31 0.00 2.76 2.94 0.00 0.00 6.79 8.96 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 26 V 7.73 3.57 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 0.96 0.00 0.00 0.95 0.00 0.00 27 K 8.32 4.08 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.69 7.81 28 A 8.01 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.91 0.00 2.04 1.84 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 30 I 7.82 3.80 2.18 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 1.39 0.86 0.92 0.00 0.00 31 Q 7.93 4.25 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 32 D 7.94 4.43 0.00 2.91 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 33 K 7.76 4.14 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 34 E 8.77 4.38 0.00 2.10 1.98 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 2.28 2.30 0.00 35 G 8.28 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 0.00 0.00 0.00 0.00 36 I 7.75 3.84 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 0.74 0.91 0.00 0.00 37 P 0.00 4.49 0.00 2.44 2.17 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 38 P 0.00 4.27 0.00 2.24 2.34 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 39 D 8.14 4.51 0.00 2.79 2.86 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 0.00 0.00 0.00 40 Q 7.73 4.26 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.75 4.51 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 42 R 8.94 4.55 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 43 L 8.54 4.70 0.00 1.55 1.58 0.90 0.80 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 44 I 8.76 4.92 2.02 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 1.10 0.61 0.90 0.00 0.00 45 F 8.90 4.85 0.00 3.10 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 46 A 8.89 3.30 1.30 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 0.00 0.00 47 G 9.30 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.35 0.00 2.07 1.73 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.39 7.81 49 Q 8.66 4.46 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 50 L 8.25 4.20 0.00 1.33 1.02 0.68 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.23 4.35 0.00 2.09 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 2.39 2.44 0.00 52 D 8.85 4.63 0.00 2.80 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 53 G 8.02 3.68 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 0.00 0.00 0.00 54 R 7.54 4.21 0.00 2.26 1.93 0.00 3.23 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 55 T 7.61 5.81 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 1.27 0.00 0.00 56 L 8.35 4.28 0.00 1.85 1.73 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.18 0.00 3.99 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 58 D 7.45 4.17 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.72 4.47 0.00 2.88 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 60 N 7.77 4.07 0.00 2.81 2.82 0.00 0.00 6.94 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.41 4.24 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.60 0.76 0.00 0.00 62 Q 7.86 4.88 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 63 K 8.41 4.22 0.00 1.99 1.97 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 E 8.97 4.18 0.00 2.16 2.07 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 2.41 2.39 0.00 65 S 7.74 4.61 0.00 4.06 3.90 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 66 T 8.71 4.99 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 1.19 0.00 0.00 67 L 9.00 4.86 0.00 1.65 1.65 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.01 4.91 0.00 3.33 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.64 4.78 0.00 1.66 1.64 0.93 1.06 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 70 V 8.65 4.63 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 0.92 0.00 0.00 0.99 0.00 0.00 71 L 8.42 5.12 0.00 1.53 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.44 4.50 0.00 1.85 1.82 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 73 L 8.33 4.71 0.00 1.61 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.53 4.50 0.00 1.74 1.87 0.00 3.27 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 75 G 7.88 4.21 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 0.00 0.00 0.00 76 G 8.18 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00