NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0360 8.2133 108.0288 46.5185 0.0000 172.4176 2 S 5.2578 8.6065 115.3889 57.1140 65.4292 168.4070 3 V 4.6548 9.0304 115.2674 59.6939 36.1465 173.8936 4 Q 4.6693 8.8741 122.8506 53.8616 31.7864 174.4963 5 A 4.3502 8.3064 128.4966 52.1701 18.8405 178.3071 6 L 4.0732 9.1552 123.1179 56.2867 42.5067 177.3468 7 F 4.8801 8.0744 115.0679 55.1680 43.0361 173.8214 8 D 4.8973 8.9883 122.8662 54.9769 41.5120 175.6269 9 F 4.7840 9.0868 125.5747 56.5009 41.6056 173.8887 10 D 4.6440 8.1648 127.2086 51.9243 41.2335 174.8533 11 P 3.9136 0.0000 0.0000 62.5808 31.9804 176.3442 12 Q 4.4907 9.1240 119.6141 55.8526 30.5017 175.1532 13 E 4.6602 7.7484 114.7135 54.1514 32.5377 173.7776 14 D 4.5059 8.5522 119.2400 56.3249 41.5101 176.7437 15 G 4.0782 9.1944 114.3321 44.9670 0.0000 172.3613 16 E 4.9992 7.8983 119.5396 55.5725 30.7253 176.3118 17 L 4.5214 9.4036 127.7478 53.8084 42.0587 176.4327 18 G 3.8866 8.6873 114.0033 46.4416 0.0000 170.8029 19 F 5.1587 8.1313 115.4284 56.2981 41.8442 173.1457 20 R 5.0931 9.6938 118.6466 53.8666 32.1945 176.0709 21 R 3.9356 9.3472 120.8879 58.6145 30.2270 176.9344 22 G 3.8483 8.8204 114.1916 45.1284 0.0000 173.5155 23 D 4.5159 7.9438 119.8110 54.4391 42.1821 175.2262 24 F 4.9630 8.6008 119.8423 56.1175 40.8144 175.2233 25 I 4.5185 8.5799 124.7764 59.4532 39.8998 174.3321 26 H 4.7768 8.9750 128.1040 55.2918 30.7206 174.4496 27 V 4.2051 8.4029 126.9389 63.2865 31.4733 175.4342 28 M 4.5939 9.2110 126.5071 55.9468 35.0093 175.6666 29 D 4.2685 7.8361 118.6921 53.1226 43.7989 174.8117 30 N 3.1400 8.0349 123.1024 51.7804 37.4788 176.2240 31 S 4.1220 7.9116 116.2221 61.2160 63.2445 174.3282 32 D 4.7300 7.8641 120.4717 52.5225 41.8250 175.1449 33 P 4.6134 0.0000 0.0000 64.9747 31.9849 176.5711 34 N 4.7289 8.3387 116.0556 53.1003 41.8212 174.5960 35 W 4.8617 8.9386 118.1500 54.5303 31.6646 175.4967 36 W 5.0145 8.6121 124.8171 54.6939 32.1863 174.6194 37 K 4.9556 8.5627 124.0523 55.6629 33.7022 175.8306 38 G 4.7155 9.3940 113.0697 45.7097 0.0000 171.0463 39 A 5.6013 8.8731 120.8694 50.3946 22.4059 175.2048 40 C 4.7896 9.3860 114.0709 58.0969 33.5187 173.2830 41 H 4.1826 9.7751 114.5490 57.1317 25.9796 175.8483 42 G 3.9713 8.5737 103.3824 46.0990 0.0000 173.8285 43 Q 4.8277 8.1393 118.2352 53.8565 32.1127 174.3302 44 T 5.2016 8.4640 108.6992 59.9947 72.2069 173.5532 45 G 4.1207 8.1462 107.8320 47.2769 0.0000 171.1025 46 M 5.5769 8.5539 119.6414 54.2034 34.3251 175.7999 47 F 4.9725 8.8293 116.2580 54.6443 42.3882 171.7116 48 P 3.4596 0.0000 0.0000 61.6068 31.8961 176.9426 49 R 3.0658 7.8008 124.5505 59.0723 29.7664 177.4127 50 N 4.4856 7.5925 111.4183 53.9800 37.7048 174.8767 51 Y 4.3545 8.2188 117.0374 59.1097 38.4514 174.7794 52 V 4.9790 7.5464 112.2422 59.8011 35.9544 174.5554 53 T 4.7091 8.7785 115.1466 59.8047 70.9824 171.4040 54 P 4.7400 0.0000 0.0000 62.4292 32.2926 176.7743 55 V 3.8153 8.3317 115.7638 61.2674 32.2379 176.3339 56 N 4.5241 8.7865 120.2236 53.7517 38.3301 174.9104 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 8.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.61 5.26 0.00 3.97 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 3 V 9.03 4.65 2.19 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 0.91 0.00 0.00 1.02 0.00 0.00 4 Q 8.87 4.67 0.00 1.56 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 5 A 8.31 4.35 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 6 L 9.16 4.07 0.00 1.69 1.33 0.97 0.66 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 7 F 8.07 4.88 0.00 2.86 2.89 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 8 D 8.99 4.90 0.00 2.71 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 9 F 9.09 4.78 0.00 2.23 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 10 D 8.16 4.64 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.91 0.00 2.08 1.96 0.00 3.46 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 12 Q 9.12 4.49 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 13 E 7.75 4.66 0.00 2.07 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 0.00 2.39 2.27 0.00 14 D 8.55 4.51 0.00 2.65 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 15 G 9.19 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 0.00 0.00 0.00 16 E 7.90 5.00 0.00 2.13 2.28 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 2.54 2.32 0.00 17 L 9.40 4.52 0.00 1.77 2.04 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.69 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 19 F 8.13 5.16 0.00 3.12 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 20 R 9.69 5.09 0.00 1.88 2.01 0.00 3.34 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 21 R 9.35 3.94 0.00 1.83 1.88 0.00 3.10 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 G 8.82 3.85 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 0.00 0.00 0.00 23 D 7.94 4.52 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.96 0.00 2.89 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 I 8.58 4.52 1.42 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.29 0.63 0.00 0.00 26 H 8.97 4.78 0.00 3.31 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.40 4.21 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 0.62 0.00 0.00 1.26 0.00 0.00 28 M 9.21 4.59 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 29 D 7.84 4.27 0.00 2.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 3.14 0.00 1.44 1.44 0.00 0.00 6.32 7.64 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 31 S 7.91 4.12 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.73 0.00 2.86 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 33 P 0.00 4.61 0.00 2.26 2.24 0.00 3.85 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 2.05 2.04 0.00 34 N 8.34 4.73 0.00 2.97 2.79 0.00 0.00 6.60 7.55 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 35 W 8.94 4.86 0.00 3.10 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 36 W 8.61 5.01 0.00 2.01 2.66 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 0.00 0.00 0.00 0.00 37 K 8.56 4.96 0.00 1.92 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.48 7.81 38 G 9.39 4.72 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 0.00 0.00 0.00 39 A 8.87 5.60 1.32 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 0.00 0.00 0.00 40 C 9.39 4.79 0.00 2.87 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 41 H 9.78 4.18 0.00 3.37 3.42 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.57 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.83 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 44 T 8.46 5.20 4.34 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 1.28 0.00 0.00 45 G 8.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.55 5.58 0.00 2.21 2.14 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 2.59 2.70 0.00 47 F 8.83 4.97 0.00 2.83 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 48 P 0.00 3.46 0.00 1.87 0.98 0.00 2.28 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 0.49 0.52 0.00 49 R 7.80 3.07 0.00 0.67 1.28 0.00 2.83 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 50 N 7.59 4.49 0.00 2.73 2.76 0.00 0.00 6.02 7.55 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 51 Y 8.22 4.35 0.00 3.30 3.38 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 52 V 7.55 4.98 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 0.45 0.00 0.00 1.01 0.00 0.00 53 T 8.78 4.71 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 1.20 0.00 0.00 54 P 0.00 4.74 0.00 2.01 2.03 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 55 V 8.33 3.82 2.27 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 0.99 0.00 0.00 1.00 0.00 0.00 56 N 8.79 4.52 0.00 2.73 2.75 0.00 0.00 6.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00