NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9389 8.3544 109.7371 45.6155 0.0000 174.8345 2 S 3.8775 8.3997 115.5284 59.8417 63.7512 173.5261 3 G 4.2073 8.9316 108.2767 46.1532 0.0000 173.3877 4 M 4.0447 7.7545 117.1049 55.1436 32.9603 176.7580 5 K 4.5156 8.5290 122.4072 55.1561 33.7675 175.4930 6 E 4.1690 8.6862 123.3640 54.0510 32.2745 175.1059 7 F 4.9584 7.1583 117.6051 54.1942 41.4324 172.5052 8 P 4.6572 0.0000 0.0000 62.0127 33.5134 173.6215 9 C 5.4366 8.6682 109.6268 55.9966 43.1171 175.6562 10 W 4.4604 7.7472 115.6192 58.1660 28.0374 177.1242 11 L 4.0694 6.9645 118.0862 56.3747 41.2440 177.5894 12 V 4.3519 7.4612 108.2054 60.7326 32.9878 174.3734 13 E 4.8109 8.5732 119.4668 54.3672 33.9572 173.8228 14 E 4.6554 8.6697 119.7134 56.1213 30.5549 176.2380 15 F 5.6718 8.6097 118.9903 55.2577 41.3455 175.3808 16 V 4.2353 8.7658 112.5475 59.5346 35.3552 174.7989 17 V 3.9291 8.9029 126.1626 63.8373 29.9805 174.9312 18 A 4.3477 8.5371 129.2079 53.2455 20.0867 176.7309 19 E 4.5253 8.1456 114.3714 54.4005 33.2084 175.6609 20 E 4.4077 9.0407 124.7098 56.7797 30.9788 175.6589 21 C 5.5065 8.5815 116.0871 55.1757 41.8718 172.7798 22 S 4.9044 8.3797 115.8481 55.7918 67.4175 171.3554 23 P 4.2003 0.0000 0.0000 62.3557 32.0169 176.4197 24 C 4.8502 8.2200 118.3150 55.1083 41.9100 174.5892 25 S 4.2338 8.6350 120.1568 58.4136 63.2423 174.7403 26 N 4.2626 8.8073 116.9943 56.3473 38.6394 177.2465 27 F 4.3249 8.0462 115.5626 58.9345 40.6118 177.9006 28 R 3.8289 8.1363 120.0604 59.3093 29.5657 178.1101 29 A 4.0707 7.7799 119.1156 54.5924 18.9656 179.1761 30 K 3.8866 7.4564 116.3204 59.1069 32.1575 177.8878 31 T 4.3105 7.5980 111.6317 62.4153 68.8503 174.6097 32 T 4.4234 7.2957 118.0728 61.5574 69.7959 174.0167 33 P 4.4958 0.0000 0.0000 64.9574 31.9764 178.0308 34 E 4.1281 8.1894 117.5846 58.8375 29.5358 177.6384 35 C 4.8690 7.9209 115.7270 57.0861 40.6020 175.8170 36 G 3.7125 7.9176 110.4125 47.2122 0.0000 174.4556 37 P 4.3994 0.0000 0.0000 64.9116 31.9964 176.7534 38 T 4.1394 8.0260 111.6473 61.1892 68.2927 175.5162 39 G 4.1555 8.4261 108.0775 45.0545 0.0000 171.5283 40 Y 4.8668 7.8600 117.5274 56.1454 40.7594 175.0431 41 V 5.0052 8.9377 118.1191 59.7262 34.7930 175.5981 42 E 4.8478 9.0962 124.0559 54.3299 32.8294 174.8343 43 K 4.6508 9.1954 121.0208 54.5039 33.9889 173.7643 44 I 4.7979 8.0482 121.0119 59.5764 39.8231 174.8939 45 T 4.9278 8.4582 122.6836 62.3049 71.1366 172.9367 46 C 5.9000 9.2431 123.1140 54.7758 41.3225 174.7891 47 S 3.7880 9.1400 119.4447 61.1354 62.0102 174.1762 48 S 4.3484 7.9275 115.5845 58.7095 61.6480 173.8005 49 S 4.0449 8.6970 119.9913 57.6056 60.1350 170.7899 50 K 4.4449 7.5837 115.2281 56.1570 28.8966 172.6292 51 R 4.7455 7.7356 117.9168 54.0281 33.5221 174.6752 52 N 5.1829 8.8422 122.1940 51.8725 38.4739 174.3951 53 E 4.7003 9.3738 123.5310 54.6239 33.2604 175.5555 54 F 4.8700 8.8679 120.4713 56.5613 39.2744 175.6343 55 K 4.4898 8.3282 124.4676 54.5813 35.1245 175.1819 56 S 5.6301 8.4567 115.0349 56.0260 65.1850 172.2029 57 C 5.0781 8.6337 116.3870 53.7230 39.8408 173.0134 58 R 4.3235 8.2625 117.5718 55.1099 30.6923 177.7629 59 S 4.0853 8.1617 117.5339 60.3339 62.7853 175.6908 60 A 4.0401 7.7694 121.8473 53.8262 18.3184 177.3949 61 L 4.5183 7.5526 115.8281 56.3028 44.1620 177.4443 62 M 4.1928 7.8312 117.2562 58.0082 31.8317 177.3475 63 E 4.4871 7.8323 120.5159 55.2469 31.3560 173.7318 64 Q 4.2767 8.0366 122.7803 53.7193 30.2583 174.8223 65 R 4.0982 8.4982 120.1744 56.2773 29.3278 176.9164 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 G 8.35 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 2 S 8.40 3.88 0.00 3.92 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 3 G 8.93 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 4 M 7.75 4.04 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 5 K 8.53 4.52 0.00 2.13 1.93 0.00 1.63 0.00 0.00 2.04 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.44 7.81 6 E 8.69 4.17 0.00 1.84 1.76 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 2.11 2.15 0.00 7 F 7.16 4.96 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.66 0.00 1.28 2.13 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.79 0.00 9 C 8.67 5.44 0.00 3.57 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.75 4.46 0.00 3.61 3.23 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 11 L 6.96 4.07 0.00 1.07 1.42 0.44 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.46 4.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.03 0.00 0.00 13 E 8.57 4.81 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 14 E 8.67 4.66 0.00 1.90 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 2.41 2.25 0.00 15 F 8.61 5.67 0.00 3.05 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 16 V 8.77 4.24 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 0.79 0.00 0.00 1.04 0.00 0.00 17 V 8.90 3.93 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 0.79 0.00 0.00 1.12 0.00 0.00 18 A 8.54 4.35 1.27 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 0.00 0.00 0.00 19 E 8.15 4.53 0.00 1.82 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 2.20 2.22 0.00 20 E 9.04 4.41 0.00 1.99 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 2.43 2.42 0.00 21 C 8.58 5.51 0.00 3.13 3.17 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 22 S 8.38 4.90 0.00 3.73 3.65 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 0.00 0.00 0.00 0.00 23 P 0.00 4.20 0.00 1.67 1.65 0.00 3.41 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.10 0.00 24 C 8.22 4.85 0.00 2.77 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 25 S 8.63 4.23 0.00 3.91 3.88 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 26 N 8.81 4.26 0.00 2.75 2.63 0.00 0.00 6.66 8.07 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 27 F 8.05 4.32 0.00 3.06 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 28 R 8.14 3.83 0.00 1.85 1.83 0.00 3.26 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 29 A 7.78 4.07 1.27 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 0.00 0.00 0.00 30 K 7.46 3.89 0.00 1.91 1.74 0.00 1.48 0.00 0.00 1.33 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 31 T 7.60 4.31 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 1.22 0.00 0.00 32 T 7.30 4.42 4.30 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 1.26 0.00 0.00 33 P 0.00 4.50 0.00 2.25 2.32 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 34 E 8.19 4.13 0.00 2.00 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 0.00 2.28 2.42 0.00 35 C 7.92 4.87 0.00 3.07 3.07 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 0.00 0.00 0.00 36 G 7.92 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 2.19 0.00 3.98 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 38 T 8.03 4.14 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 1.38 0.00 0.00 39 G 8.43 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 0.00 0.00 0.00 0.00 40 Y 7.86 4.87 0.00 3.04 2.78 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 0.00 0.00 0.00 41 V 8.94 5.01 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 0.85 0.00 0.00 1.07 0.00 0.00 42 E 9.10 4.85 0.00 2.11 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 2.16 2.05 0.00 43 K 9.20 4.65 0.00 1.65 1.60 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.01 0.75 7.81 44 I 8.05 4.80 2.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.65 0.93 0.00 0.00 45 T 8.46 4.93 4.28 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 1.23 0.00 0.00 46 C 9.24 5.90 0.00 2.91 3.10 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 47 S 9.14 3.79 0.00 3.84 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 48 S 7.93 4.35 0.00 3.94 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 49 S 8.70 4.04 0.00 4.07 4.08 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 50 K 7.58 4.44 0.00 1.84 1.80 0.00 1.77 0.00 0.00 2.38 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.35 7.81 51 R 7.74 4.75 0.00 1.77 1.86 0.00 3.14 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 N 8.84 5.18 0.00 2.55 2.78 0.00 0.00 6.13 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 53 E 9.37 4.70 0.00 2.09 2.16 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 2.37 2.70 0.00 54 F 8.87 4.87 0.00 2.98 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 55 K 8.33 4.49 0.00 1.29 1.34 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.38 0.21 7.81 56 S 8.46 5.63 0.00 3.81 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 57 C 8.63 5.08 0.00 2.91 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 58 R 8.26 4.32 0.00 1.83 1.81 0.00 3.09 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 1.62 1.56 0.00 59 S 8.16 4.09 0.00 2.72 3.31 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 0.00 60 A 7.77 4.04 1.21 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 61 L 7.55 4.52 0.00 1.53 1.63 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.83 4.19 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 63 E 7.83 4.49 0.00 1.94 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 2.25 2.25 0.00 64 Q 8.04 4.28 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 65 R 8.50 4.10 0.00 1.94 1.91 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00