NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4432 8.1627 118.3258 56.9652 34.0387 172.9110 2 Q 5.2240 8.0128 114.0790 55.0099 32.5428 172.7962 3 I 4.5129 8.6804 119.9194 59.0383 42.2979 173.2557 4 F 5.6402 8.8481 120.1979 55.7900 42.5070 175.4297 5 V 4.4757 9.0622 121.0999 61.0839 34.4857 175.2137 6 K 4.6164 8.3815 128.6571 56.7836 30.6469 177.2925 7 T 4.2950 7.8945 119.8648 61.5754 69.0293 172.4751 8 L 4.2911 8.2687 121.2209 55.9215 43.6063 177.7481 9 T 3.4485 9.5588 111.1728 62.6937 67.7043 174.2955 10 G 4.0779 7.9726 114.6595 47.1029 0.0000 175.6931 11 K 4.1804 8.0580 118.0522 58.3315 32.0762 174.9179 12 T 4.6741 7.7164 110.2655 62.2041 70.0131 173.6709 13 I 4.8207 8.2925 121.3396 59.3304 40.9418 174.7883 14 T 5.2155 8.5221 113.6367 61.1451 71.0252 173.6519 15 L 4.6392 8.9099 121.2495 53.4828 46.6496 175.2754 16 E 5.2309 8.7175 123.7550 54.1566 29.0378 175.0819 17 V 4.3923 7.8426 118.4594 59.3244 34.9805 174.1142 18 E 4.6611 8.6673 119.9615 54.0972 31.7275 176.0352 19 P 4.1245 0.0000 0.0000 65.8791 31.4970 177.9221 20 S 4.6763 7.7077 109.2517 57.3115 63.4361 174.0116 21 D 4.3804 8.2299 123.0576 54.9745 41.2328 176.4852 22 T 4.5740 8.3529 114.4409 61.2791 71.2673 175.4508 23 I 3.6226 8.4624 124.1403 64.8747 37.1389 178.3033 24 E 3.8801 8.1617 119.7015 59.5175 29.3232 178.6415 25 N 4.3923 7.6700 115.0391 56.3036 38.8356 177.3293 26 V 3.7148 7.8348 119.6751 65.7177 31.6487 178.2722 27 K 4.0086 8.5435 118.3486 59.5090 31.8128 179.1088 28 A 4.2842 8.3592 119.1080 54.2977 18.2859 178.9104 29 K 4.1820 7.6617 115.8345 58.1600 32.6692 178.6197 30 I 4.0345 8.0988 120.6314 63.5968 37.0898 177.4280 31 Q 4.5168 7.9823 119.5514 56.0280 29.0319 174.9912 32 D 4.7686 7.2764 118.6397 54.3970 42.2180 176.4709 33 K 4.2428 9.5757 123.1793 56.7017 31.0283 176.5988 34 E 4.4230 8.1341 115.3918 57.9131 33.2608 175.3248 35 G 4.2239 8.8003 108.0114 46.2352 0.0000 174.2751 36 I 3.6569 7.9400 121.9966 60.5418 37.5801 173.8818 37 P 4.3996 0.0000 0.0000 61.7505 32.2167 175.5115 38 P 4.2088 0.0000 0.0000 66.2079 31.2903 177.8509 39 D 4.6063 8.0703 114.0421 55.8013 40.8265 176.3900 40 Q 4.7104 8.6256 118.1301 55.6370 30.4713 174.9859 41 Q 4.6440 7.8468 118.8506 54.4997 30.8966 175.4164 42 R 4.4842 8.7330 122.5219 54.7290 33.3062 173.6297 43 L 4.9184 8.4969 126.8169 53.3611 43.6947 175.5656 44 I 5.0280 8.3308 124.6999 59.4793 39.9100 175.2366 45 F 4.6458 8.9271 128.5800 57.1953 42.0745 174.1513 46 A 3.3220 8.7009 129.7537 54.4185 15.1395 176.4159 47 G 4.1976 8.0120 103.6068 44.9592 0.0000 171.2194 48 K 4.6331 7.6302 116.8129 54.5543 35.5320 174.5730 49 Q 4.9284 8.5132 121.8962 54.6590 30.0086 175.0154 50 L 3.5969 8.6399 128.0603 54.2583 42.7563 176.1653 51 E 4.6076 8.6639 120.9449 54.6823 31.5565 176.7879 52 D 4.4881 9.0787 123.5025 57.7423 41.4173 179.6520 53 G 3.5284 8.2162 106.6414 48.6083 0.0000 174.0118 54 R 4.3419 8.0181 119.4481 55.9518 30.9446 175.5114 55 T 5.0650 8.0856 108.5811 59.5583 71.3100 175.4994 56 L 3.4681 8.6242 123.0430 57.8623 41.4715 179.2812 57 S 4.4810 7.8803 110.6937 58.9127 63.5889 175.4596 58 D 4.3932 8.9207 122.5326 56.7813 41.2009 176.8137 59 Y 4.4909 8.1040 114.1139 57.2904 37.9279 174.5691 60 N 4.1934 8.1546 115.8736 54.5373 37.5677 174.1578 61 I 4.0548 7.9200 116.0253 60.6128 38.6472 175.6214 62 Q 4.4079 8.2810 118.4730 56.2079 31.5358 172.5396 63 K 4.3028 8.3493 115.4934 57.2865 32.0264 176.0729 64 E 2.8070 8.7935 121.4363 56.5635 28.6933 174.9535 65 S 4.2724 8.1512 116.2200 59.6044 63.8901 173.4600 66 T 4.9390 8.7879 121.7700 61.8146 69.2528 175.4661 67 L 4.9765 8.1586 127.4871 54.3418 41.5770 176.0231 68 H 4.3320 7.5954 115.7139 55.1533 30.3624 175.6325 69 L 5.1153 8.4821 124.0410 53.5659 45.2100 175.7073 70 V 4.4947 8.1525 121.8603 61.2883 35.5334 173.0075 71 L 4.5605 8.5952 130.1665 55.1683 42.5241 175.6708 72 R 4.5216 9.4610 128.6646 54.7278 31.5487 175.9145 73 L 4.3161 8.3482 126.3724 55.2102 42.3934 175.7592 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 4.44 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 2 Q 8.01 5.22 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 1.85 2.13 0.00 3 I 8.68 4.51 1.93 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 1.21 1.05 0.76 0.00 0.00 4 F 8.85 5.64 0.00 2.98 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 5 V 9.06 4.48 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 1.06 0.00 0.00 0.94 0.00 0.00 6 K 8.38 4.62 0.00 2.00 1.90 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.32 7.81 7 T 7.89 4.30 4.26 0.00 0.00 0.00 0.00 0.00 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 8 L 8.27 4.29 0.00 1.75 1.62 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.56 3.45 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 1.21 0.00 0.00 10 G 7.97 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 11 K 8.06 4.18 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.60 7.81 12 T 7.72 4.67 4.23 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 1.12 0.00 0.00 13 I 8.29 4.82 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.97 0.00 0.00 14 T 8.52 5.22 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 15 L 8.91 4.64 0.00 1.49 1.50 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 5.23 0.00 1.91 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 2.18 2.19 0.00 17 V 7.84 4.39 2.01 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 0.71 0.00 0.00 0.84 0.00 0.00 18 E 8.67 4.66 0.00 2.00 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 2.19 2.22 0.00 19 P 0.00 4.12 0.00 2.15 2.12 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 20 S 7.71 4.68 0.00 3.84 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 21 D 8.23 4.38 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.57 4.54 0.00 0.00 0.00 0.00 0.00 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 23 I 8.46 3.62 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.89 0.84 0.00 0.00 24 E 8.16 3.88 0.00 2.22 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 2.31 2.40 0.00 25 N 7.67 4.39 0.00 2.81 2.90 0.00 0.00 7.07 8.11 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 26 V 7.83 3.71 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 0.98 0.00 0.00 0.91 0.00 0.00 27 K 8.54 4.01 0.00 1.95 1.83 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 28 A 8.36 4.28 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 29 K 7.66 4.18 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.73 7.81 30 I 8.10 4.03 2.22 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 1.41 1.33 0.96 0.00 0.00 31 Q 7.98 4.52 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 32 D 7.28 4.77 0.00 2.88 2.57 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 33 K 9.58 4.24 0.00 1.99 2.24 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.43 7.81 34 E 8.13 4.42 0.00 2.21 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 2.21 2.23 0.00 35 G 8.80 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 0.00 0.00 0.00 0.00 36 I 7.94 3.66 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 1.42 0.96 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.17 1.97 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.21 0.00 2.17 2.28 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 39 D 8.07 4.61 0.00 2.67 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 40 Q 8.63 4.71 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 7.85 4.64 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 R 8.73 4.48 0.00 1.85 1.85 0.00 3.08 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 43 L 8.50 4.92 0.00 1.57 1.51 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.33 5.03 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 1.00 0.00 0.00 45 F 8.93 4.65 0.00 2.88 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 46 A 8.70 3.32 0.74 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.01 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 0.00 0.00 0.00 0.00 48 K 7.63 4.63 0.00 1.99 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.67 1.46 7.81 49 Q 8.51 4.93 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 50 L 8.64 3.60 0.00 1.30 0.98 0.74 0.07 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 51 E 8.66 4.61 0.00 2.13 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 2.45 2.53 0.00 52 D 9.08 4.49 0.00 2.82 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 53 G 8.22 3.53 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 0.00 0.00 0.00 54 R 8.02 4.34 0.00 2.40 2.09 0.00 3.19 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 55 T 8.09 5.06 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 1.27 0.00 0.00 56 L 8.62 3.47 0.00 1.87 1.71 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.88 4.48 0.00 4.03 4.17 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 58 D 8.92 4.39 0.00 2.88 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.49 0.00 2.96 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 60 N 8.15 4.19 0.00 2.86 2.96 0.00 0.00 7.17 7.94 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 61 I 7.92 4.05 1.75 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.64 0.35 0.00 0.00 62 Q 8.28 4.41 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 63 K 8.35 4.30 0.00 1.74 1.72 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.49 7.81 64 E 8.79 2.81 0.00 2.06 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 0.00 2.06 2.19 0.00 65 S 8.15 4.27 0.00 3.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.94 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 1.27 0.00 0.00 67 L 8.16 4.98 0.00 1.77 1.55 0.75 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.60 4.33 0.00 3.31 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.48 5.12 0.00 1.63 1.69 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.15 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 71 L 8.60 4.56 0.00 1.68 1.57 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.46 4.52 0.00 1.73 1.80 0.00 3.40 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 73 L 8.35 4.32 0.00 1.58 1.47 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00