NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6394 8.2893 120.2582 55.7716 33.7818 173.8727 2 Q 4.2355 7.8983 118.7765 55.4560 32.3772 169.1179 3 E 5.2262 8.6854 117.8194 55.2366 33.3103 177.5497 4 G 4.3521 8.8770 107.6391 45.8591 0.0000 171.6172 5 K 5.2099 8.5889 117.8546 54.1983 36.6777 176.4004 6 V 3.7831 8.7294 124.5632 63.2295 31.8711 176.5772 7 K 4.2237 9.1738 131.0534 58.8913 32.5908 176.7478 8 W 5.1570 7.7345 114.2865 55.8803 31.2319 172.9574 9 F 4.9382 8.9252 123.1972 57.1534 42.0971 172.9622 10 N 4.6053 8.7265 126.3920 52.4069 38.8421 175.1268 11 N 4.5706 8.9351 126.3261 56.5925 39.6641 175.8475 12 E 4.1065 8.3486 117.9646 59.1496 29.8133 177.8399 13 K 4.1378 8.2878 116.3333 56.9924 32.6055 177.3466 14 G 3.8738 9.0493 107.8542 45.9847 0.0000 172.2736 15 Y 4.7226 6.1100 115.3689 55.5355 41.8160 173.6212 16 G 3.1017 7.6003 105.0655 46.1216 0.0000 172.1519 17 F 4.9335 7.6280 119.1348 55.6711 43.8298 174.0353 18 I 4.7114 8.6085 123.8367 59.8374 38.9595 174.6896 19 E 4.9333 9.0858 125.7590 55.3216 31.9792 175.2556 20 V 4.7577 8.1407 121.4136 60.7959 34.6678 174.4883 21 E 4.1984 9.0026 127.9546 57.9228 29.5726 177.3173 22 G 3.9283 9.4381 111.6846 45.6251 0.0000 172.2936 23 G 4.2432 7.9009 107.2565 43.6699 0.0000 172.6372 24 S 4.4296 8.4229 114.7295 57.9133 63.4935 174.3706 25 D 4.8304 8.5674 122.9681 54.8678 41.6914 175.8954 26 V 4.5240 8.8457 121.6066 60.7440 34.3752 174.6923 27 F 3.7339 8.9529 130.5603 58.0279 40.7428 173.9381 28 V 4.2775 7.2130 124.5583 60.0011 34.3866 173.8027 29 H 5.1018 8.2721 124.3248 53.8620 32.0625 175.2856 30 F 4.2832 8.7217 119.5236 60.0462 37.7157 177.5692 31 T 3.6872 6.9572 109.6808 63.4656 68.8008 174.6847 32 A 4.2339 8.0052 124.8610 53.1413 19.2878 177.0138 33 I 4.3790 7.3213 117.8957 60.9953 37.6278 176.0916 34 Q 4.2236 8.6541 125.2101 55.6123 29.7263 175.5136 35 G 3.8202 8.6648 105.5147 44.9401 0.0000 172.6542 36 E 4.3117 8.2238 117.9763 55.4661 30.8625 176.5874 37 G 3.9848 8.4993 106.0081 44.5411 0.0000 173.0420 38 F 4.0094 8.3899 120.8174 58.0379 39.6462 174.8885 39 K 4.1576 7.5952 127.6243 56.1041 31.2060 175.7618 40 T 4.4242 7.7153 116.7686 60.8574 70.4042 172.5071 41 L 4.5482 6.8734 122.8168 52.8521 45.7605 175.8649 42 E 4.7448 8.2572 120.6638 53.8611 31.9149 175.4242 43 E 4.2453 8.7099 119.3951 58.5523 29.6069 177.7448 44 G 3.9562 9.0671 111.3114 44.9970 0.0000 173.3806 45 Q 4.0989 7.8410 122.5623 56.1679 30.1682 175.1383 46 E 4.7641 8.8105 126.0743 56.4534 30.9945 176.1140 47 V 5.1230 8.9892 116.5821 59.7765 36.6143 174.5146 48 S 5.4313 8.6998 117.8007 57.2292 65.9440 172.7953 49 F 5.3905 8.3047 114.6613 57.3784 41.4313 172.1024 50 E 4.8751 9.2001 120.6515 54.6014 32.4542 174.2471 51 I 5.0376 8.2622 124.4826 59.8118 39.1954 175.4364 52 V 4.5832 8.9448 119.4895 59.6181 35.9231 174.6392 53 Q 4.6997 8.7486 121.5525 54.6713 30.3210 175.5316 54 G 4.1199 8.3965 114.8260 43.4351 0.0000 172.8696 55 N 4.2990 8.6383 116.4923 56.0860 38.8840 175.8775 56 R 4.2178 7.6284 114.6049 55.5251 30.9883 174.8389 57 G 3.7757 7.7088 104.7264 42.9983 0.0000 171.2315 58 P 5.1146 0.0000 0.0000 63.2329 32.0792 175.6674 59 Q 4.9023 9.1429 119.0215 54.9760 32.4261 173.4240 60 A 4.9091 8.8013 122.4078 51.9967 19.3094 176.8653 61 A 4.5790 8.7580 121.1808 49.9784 22.9693 175.2724 62 N 3.9778 8.3792 114.9092 54.5776 37.3214 174.9679 63 V 4.4717 7.8993 119.0744 62.4909 33.1298 175.3490 64 V 4.6350 8.6094 129.0034 60.8440 33.8179 174.7208 65 K 4.5417 8.6457 127.7545 56.2441 32.7920 176.9932 66 L 4.3008 8.6594 124.6301 54.9210 41.3206 176.7374 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 8.29 4.64 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 2 Q 7.90 4.24 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 3 E 8.69 5.23 0.00 1.84 1.90 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 2.20 2.24 0.00 4 G 8.88 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 5.21 0.00 1.72 1.68 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 6 V 8.73 3.78 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 1.02 0.00 0.00 0.87 0.00 0.00 7 K 9.17 4.22 0.00 1.87 2.01 0.00 2.05 0.00 0.00 1.96 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.76 1.52 7.81 8 W 7.73 5.16 0.00 3.47 3.15 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 0.00 0.00 0.00 9 F 8.93 4.94 0.00 2.92 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 10 N 8.73 4.61 0.00 2.81 2.32 0.00 0.00 6.43 6.37 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 11 N 8.94 4.57 0.00 2.91 2.93 0.00 0.00 7.18 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 12 E 8.35 4.11 0.00 1.97 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 0.00 2.30 2.35 0.00 13 K 8.29 4.14 0.00 1.44 1.91 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.53 7.81 14 G 9.05 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 15 Y 6.11 4.72 0.00 2.63 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 16 G 7.60 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 0.00 0.00 0.00 17 F 7.63 4.93 0.00 2.53 2.76 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 0.00 0.00 0.00 18 I 8.61 4.71 1.39 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.31 0.58 0.00 0.00 19 E 9.09 4.93 0.00 2.07 2.12 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 2.46 2.29 0.00 20 V 8.14 4.76 2.18 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 1.10 0.00 0.00 1.18 0.00 0.00 21 E 9.00 4.20 0.00 2.03 1.92 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 2.34 2.35 0.00 22 G 9.44 3.93 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 0.00 0.00 0.00 23 G 7.90 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 0.00 0.00 0.00 0.00 24 S 8.42 4.43 0.00 3.94 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 25 D 8.57 4.83 0.00 2.60 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 26 V 8.85 4.52 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 0.96 0.00 0.00 1.13 0.00 0.00 27 F 8.95 3.73 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 4.28 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.77 0.00 0.00 29 H 8.27 5.10 0.00 3.12 3.04 0.00 5.68 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.72 4.28 0.00 3.24 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.96 3.69 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 0.54 0.00 0.00 32 A 8.01 4.23 1.34 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 0.00 0.00 33 I 7.32 4.38 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.84 0.00 0.00 34 Q 8.65 4.22 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.36 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 35 G 8.66 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 0.00 0.00 0.00 36 E 8.22 4.31 0.00 1.97 1.90 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 2.27 2.24 0.00 37 G 8.50 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 38 F 8.39 4.01 0.00 2.95 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 39 K 7.60 4.16 0.00 1.60 1.81 0.00 1.93 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.42 7.81 40 T 7.72 4.42 4.55 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 1.39 0.00 0.00 41 L 6.87 4.55 0.00 0.60 1.15 0.60 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.26 4.74 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 43 E 8.71 4.25 0.00 2.17 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 2.34 2.38 0.00 44 G 9.07 3.96 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 0.00 0.00 0.00 45 Q 7.84 4.10 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 46 E 8.81 4.76 0.00 1.98 1.87 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 2.42 2.35 0.00 47 V 8.99 5.12 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 0.70 0.00 0.00 0.99 0.00 0.00 48 S 8.70 5.43 0.00 3.84 3.96 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 49 F 8.30 5.39 0.00 3.17 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 50 E 9.20 4.88 0.00 2.02 2.02 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 2.23 2.25 0.00 51 I 8.26 5.04 1.94 0.00 0.00 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 1.67 0.96 1.00 0.00 0.00 52 V 8.94 4.58 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 1.02 0.00 0.00 53 Q 8.75 4.70 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 54 G 8.40 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 55 N 8.64 4.30 0.00 2.64 2.83 0.00 0.00 6.83 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 56 R 7.63 4.22 0.00 1.68 1.77 0.00 3.30 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 57 G 7.71 3.78 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 0.00 0.00 0.00 58 P 0.00 5.11 0.00 2.16 2.11 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 59 Q 9.14 4.90 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 60 A 8.80 4.91 1.07 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 0.00 0.00 61 A 8.76 4.58 1.22 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 0.00 0.00 0.00 62 N 8.38 3.98 0.00 2.96 2.83 0.00 0.00 6.58 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 63 V 7.90 4.47 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 0.86 0.00 0.00 0.89 0.00 0.00 64 V 8.61 4.63 2.10 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 0.99 0.00 0.00 0.99 0.00 0.00 65 K 8.65 4.54 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.42 7.81 66 L 8.66 4.30 0.00 1.52 1.58 0.94 1.11 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