NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8839 8.3549 109.7365 45.0501 0.0000 177.0380 2 S 4.3976 9.0496 124.5206 55.5625 65.4898 171.7123 3 T 4.6260 9.1649 120.1318 61.6217 70.1430 172.6957 4 Y 5.1838 8.2242 118.0487 58.0136 40.8876 175.9723 5 V 4.7190 8.3404 113.5242 60.7867 36.3575 174.5133 6 Q 4.1697 9.5147 119.9954 55.2135 31.9865 174.0207 7 A 4.2604 8.6428 126.1859 49.1565 17.7883 177.5013 8 L 3.8786 9.3045 126.0402 58.5476 42.2553 176.4932 9 F 4.6569 7.8827 114.8544 55.4371 43.8056 173.0440 10 D 4.8305 9.1591 119.2823 54.2442 41.9086 176.3292 11 F 4.5608 8.2622 125.5272 56.4525 41.2590 173.4986 12 D 4.6603 7.8126 126.3793 52.2748 41.7077 174.9745 13 P 4.5718 0.0000 0.0000 63.5127 32.0768 176.4283 14 Q 4.5607 9.8748 116.2454 56.3617 34.4316 174.6491 15 E 4.6596 8.0857 117.7013 53.9005 32.7219 174.7957 16 D 4.2209 8.5210 121.1536 56.8315 40.4730 175.7640 17 G 3.8731 8.9591 115.3840 45.8108 0.0000 171.5964 18 E 4.5603 7.7245 119.9613 54.1108 31.0577 175.1665 19 L 4.6095 8.3648 123.7018 55.4434 43.2036 176.5793 20 G 4.3757 8.9885 109.2852 45.5206 0.0000 172.2032 21 F 5.2028 8.2899 120.2266 56.2091 41.9651 172.8832 22 R 4.8480 9.1010 115.8489 55.8735 34.1559 174.5478 23 R 3.8532 8.2491 123.5967 55.2410 30.6961 176.1625 24 G 3.6973 8.8061 114.7168 45.2408 0.0000 173.1191 25 D 4.3031 7.8353 120.2694 54.0318 41.7163 176.0298 26 F 5.2896 8.4907 123.4820 56.6911 39.2068 175.4438 27 I 3.7005 8.2756 124.9759 61.0670 39.5930 174.3788 28 H 4.1689 8.9938 128.8853 54.1829 30.4541 173.4790 29 V 3.9378 8.4951 126.6696 63.4158 29.0708 174.9711 30 M 3.9038 8.3087 126.6707 57.9685 32.9614 174.8385 31 D 4.2878 8.1534 113.4724 53.0754 44.6187 174.4635 32 N 3.6220 8.4608 123.4643 53.1732 36.2830 174.4178 33 S 4.4552 8.0813 119.9776 59.9241 64.5403 174.8500 34 D 4.7721 8.3245 119.8217 53.1269 41.8089 175.8721 35 P 4.2730 0.0000 0.0000 66.1068 31.5384 176.7259 36 N 4.5141 7.9970 116.2956 52.5976 40.0271 173.4567 37 W 5.0156 7.6441 116.5577 55.4929 34.1179 174.1373 38 W 5.6399 8.2255 121.8156 55.2306 34.0504 173.3023 39 K 5.1684 8.5717 120.3512 55.1514 33.9898 174.4004 40 G 4.4734 9.2783 115.8919 45.8039 0.0000 170.6519 41 A 4.4221 7.9394 123.1597 53.3185 22.5270 174.8129 42 C 4.6092 8.6985 126.0979 60.5992 39.5695 175.1068 43 H 4.5260 8.3113 114.4084 57.4884 26.1795 175.7196 44 G 4.0204 8.2417 108.3032 46.5588 0.0000 170.2906 45 Q 4.4886 7.7935 118.6163 54.3409 32.2659 174.7869 46 T 4.6561 9.2922 114.2144 60.4904 71.4574 173.4695 47 G 4.0324 7.0225 107.1492 45.5738 0.0000 170.9920 48 M 5.5921 8.3681 119.0256 53.8882 34.9427 175.4310 49 F 4.5564 8.8275 116.3366 54.1899 42.1316 171.9439 50 P 2.9700 0.0000 0.0000 62.1508 31.2220 177.3659 51 R 2.8287 7.5201 126.0669 58.6028 29.8318 176.5255 52 N 4.4992 7.5162 113.5101 54.0194 39.2490 174.2508 53 Y 4.3605 8.1321 114.6257 58.4940 38.1303 174.7708 54 V 5.0668 7.3050 112.5052 60.5131 36.4771 174.0923 55 T 4.8446 8.2804 114.1808 60.0779 70.8400 171.2874 56 P 4.6667 0.0000 0.0000 63.5674 31.5665 176.1851 57 V 4.1025 8.5938 120.6725 64.7169 32.1738 175.9467 58 N 4.8315 7.7735 115.2090 51.9626 39.2691 174.7336 59 R 4.1421 8.1308 117.2004 57.0088 29.9973 174.1478 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 3.88 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 0.00 0.00 0.00 2 S 9.05 4.40 0.00 3.93 3.82 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 3 T 9.16 4.63 4.02 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 1.05 0.00 0.00 4 Y 8.22 5.18 0.00 2.93 2.94 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 5 V 8.34 4.72 2.36 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 0.92 0.00 0.00 1.05 0.00 0.00 6 Q 9.51 4.17 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 7 A 8.64 4.26 1.57 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 0.00 0.00 8 L 9.30 3.88 0.00 1.72 1.71 1.02 0.71 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 9 F 7.88 4.66 0.00 2.51 2.79 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 10 D 9.16 4.83 0.00 2.66 2.65 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 11 F 8.26 4.56 0.00 2.53 1.45 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 12 D 7.81 4.66 0.00 2.29 2.34 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 0.00 0.00 0.00 0.00 13 P 0.00 4.57 0.00 1.87 2.06 0.00 3.52 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 2.00 2.29 0.00 14 Q 9.87 4.56 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 15 E 8.09 4.66 0.00 2.31 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 2.24 2.10 0.00 16 D 8.52 4.22 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.72 4.56 0.00 2.20 2.15 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 2.59 2.88 0.00 19 L 8.36 4.61 0.00 2.06 2.05 1.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 5.20 0.00 3.19 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 22 R 9.10 4.85 0.00 1.75 1.83 0.00 3.33 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 23 R 8.25 3.85 0.00 2.16 1.73 0.00 2.67 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 24 G 8.81 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 25 D 7.84 4.30 0.00 3.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 5.29 0.00 2.90 3.19 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 27 I 8.28 3.70 1.36 0.00 0.00 -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 -0.30 0.41 0.42 0.00 0.00 28 H 8.99 4.17 0.00 3.11 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.50 3.94 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 0.38 0.00 0.00 0.97 0.00 0.00 30 M 8.31 3.90 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 31 D 8.15 4.29 0.00 2.66 2.45 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 32 N 8.46 3.62 0.00 2.20 1.42 0.00 0.00 5.92 7.45 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 33 S 8.08 4.46 0.00 3.99 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 34 D 8.32 4.77 0.00 2.93 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 35 P 0.00 4.27 0.00 2.17 2.19 0.00 3.81 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 2.02 1.98 0.00 36 N 8.00 4.51 0.00 2.82 2.95 0.00 0.00 6.48 7.76 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 37 W 7.64 5.02 0.00 3.26 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 38 W 8.23 5.64 0.00 2.46 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 39 K 8.57 5.17 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.46 7.81 40 G 9.28 4.47 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 41 A 7.94 4.42 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 42 C 8.70 4.61 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 4.53 0.00 3.48 3.54 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.24 4.02 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 0.00 0.00 0.00 45 Q 7.79 4.49 0.00 2.35 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 46 T 9.29 4.66 4.32 0.00 0.00 0.00 0.00 0.00 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 47 G 7.02 4.03 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 0.00 0.00 0.00 48 M 8.37 5.59 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 49 F 8.83 4.56 0.00 2.98 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 50 P 0.00 2.97 0.00 1.50 0.99 0.00 2.20 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 0.58 0.98 0.00 51 R 7.52 2.83 0.00 0.67 1.12 0.00 2.88 0.00 0.00 2.64 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 52 N 7.52 4.50 0.00 2.55 2.77 0.00 0.00 6.86 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 53 Y 8.13 4.36 0.00 3.11 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 54 V 7.30 5.07 2.23 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 0.78 0.00 0.00 1.23 0.00 0.00 55 T 8.28 4.84 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 1.24 0.00 0.00 56 P 0.00 4.67 0.00 2.18 2.13 0.00 3.87 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 2.05 2.06 0.00 57 V 8.59 4.10 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 1.10 0.00 0.00 1.16 0.00 0.00 58 N 7.77 4.83 0.00 2.89 2.85 0.00 0.00 5.78 7.71 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 59 R 8.13 4.14 0.00 1.77 1.79 0.00 3.44 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00