NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3279 8.3044 120.3263 54.9865 34.1712 174.9446 2 K 3.6402 8.0107 119.3848 56.1356 32.0669 175.7120 3 R 4.2709 8.7767 129.2866 54.9169 30.9181 176.4016 4 A 3.9101 8.3829 126.6636 54.9175 18.6160 178.8024 5 A 3.9867 8.0174 118.5928 55.2965 18.5351 179.6005 6 A 4.0167 7.9390 118.8260 55.1563 18.5560 179.6311 7 K 3.7353 8.1037 118.2129 59.9647 32.2546 178.8669 8 H 4.2988 8.2918 116.5583 58.4183 28.6521 177.5598 9 L 3.9823 7.8476 122.3557 58.3431 41.9224 179.0999 10 I 3.8351 7.6408 119.7438 64.4277 36.8825 178.0438 11 E 4.1218 8.1991 119.9607 58.9797 29.4197 178.9869 12 R 3.9874 8.0176 118.5132 59.0985 30.1601 178.4354 13 Y 4.1521 7.9175 116.2981 61.1632 37.8789 177.7458 14 Y 4.1795 8.6046 120.9440 61.0229 38.8476 177.5312 15 H 4.0575 8.5456 120.8870 58.5932 29.8893 176.9762 16 Q 4.2073 7.9359 122.8384 58.5452 28.6191 178.3251 17 L 3.8553 7.6253 119.2805 57.5668 41.8522 179.1449 18 T 3.9125 7.6786 109.7106 64.3610 68.8430 176.2552 19 E 4.1795 7.7795 120.0942 56.2724 31.2303 177.1066 20 G 4.0468 9.1449 105.3378 45.9412 0.0000 174.3738 21 C 4.8191 8.3797 118.2514 57.4179 31.0118 173.4515 22 G 4.2959 8.5136 110.9664 45.8601 0.0000 174.4494 23 N 4.5107 7.5995 115.9648 52.1206 38.2066 174.7004 24 E 3.9655 8.8642 122.4776 59.2562 30.1734 177.4954 25 A 4.3611 7.6047 122.4122 50.6696 17.3819 174.3590 26 C 4.7018 7.8093 119.7419 57.3539 34.9840 173.6044 27 T 4.6784 8.4359 122.2262 60.2434 66.3958 171.8333 28 N 4.9373 7.6916 120.6897 51.0688 41.4241 174.5618 29 E 4.1352 8.6381 124.0197 58.5754 29.8287 177.3260 30 F 4.9490 7.9364 117.3673 57.2978 38.9682 174.7659 31 C 4.6974 7.7490 119.6793 57.6922 34.4682 173.7285 32 A 3.4399 8.0334 129.9102 52.5611 18.7430 177.9769 33 S 3.9615 8.5041 113.0184 59.0003 60.8172 170.1783 34 C 5.1610 7.2465 117.5324 56.2760 30.2496 173.0856 35 P 4.3030 0.0000 0.0000 65.8567 31.1229 177.5082 36 T 4.2003 7.8335 105.9412 61.8752 69.2656 173.6771 37 F 4.5899 7.8620 125.3878 57.5564 40.1008 174.0973 38 L 4.1555 7.4416 129.2570 52.6491 43.2088 175.5409 39 R 3.6722 8.2349 125.1216 56.9616 29.7699 175.9893 40 M 4.4681 8.1322 120.2132 53.3970 33.6589 175.8794 41 D 4.7078 8.1739 118.8521 53.9233 43.3000 177.4249 42 N 4.5565 8.6562 117.8518 56.2891 38.5795 177.7138 43 N 4.3989 8.2120 117.7286 56.3209 38.7514 177.1357 44 A 4.0955 8.0688 121.4686 54.9620 18.5232 179.3960 45 A 4.0726 8.4996 119.5450 55.2116 18.4592 179.7188 46 A 4.1741 8.2847 119.1007 55.0805 18.5848 179.9622 47 I 3.6460 7.8971 118.4564 64.5898 37.2752 178.6061 48 K 4.0884 8.4372 119.8459 58.7500 32.0249 178.6852 49 A 4.0946 8.0255 121.6203 55.3305 18.3488 179.6117 50 L 4.0232 7.8242 116.9846 57.7206 41.7046 179.5621 51 E 3.8708 8.0500 118.3374 59.6017 29.4806 179.5531 52 L 3.7292 7.8135 118.6897 57.3185 41.4190 179.1611 53 Y 3.5912 7.2218 119.9240 60.4358 38.5948 178.0541 54 K 3.7652 7.7472 118.0250 59.3602 32.9139 178.1125 55 I 3.7453 7.3589 111.1994 60.9382 38.4875 175.1263 56 N 4.0750 7.2540 117.5718 54.2609 35.7882 173.1677 57 A 4.2764 7.9923 120.9992 51.0687 21.0533 178.0289 58 K 4.2029 8.4901 115.8715 56.7537 30.7853 175.9938 59 L 4.4456 8.1736 125.4567 53.8803 43.1082 176.3223 60 C 4.4438 8.6421 124.2592 58.0645 27.5279 173.2672 61 D 4.3769 8.2934 125.0606 52.0479 39.8060 174.8122 62 P 4.3186 0.0000 0.0000 62.7555 30.8815 175.5105 63 H 4.6469 8.3493 123.8585 53.1129 30.3800 171.5473 64 P 4.4102 0.0000 0.0000 62.5111 31.1123 176.7119 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 8.30 4.33 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 8.01 3.64 0.00 1.78 1.74 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.49 7.81 3 R 8.78 4.27 0.00 1.86 1.90 0.00 3.37 0.00 0.00 3.35 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 4 A 8.38 3.91 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 5 A 8.02 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.94 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.10 3.74 0.00 1.84 1.81 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.35 7.81 8 H 8.29 4.30 0.00 3.29 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.85 3.98 0.00 2.09 1.92 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.64 3.84 1.85 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.33 0.83 0.00 0.00 11 E 8.20 4.12 0.00 2.20 2.11 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 2.42 2.48 0.00 12 R 8.02 3.99 0.00 1.93 1.83 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 13 Y 7.92 4.15 0.00 3.29 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 14 Y 8.60 4.18 0.00 3.13 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 15 H 8.55 4.06 0.00 3.33 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.94 4.21 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.01 0.00 0.00 0.00 0.00 0.00 2.50 2.25 0.00 17 L 7.63 3.86 0.00 1.81 1.78 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.68 3.91 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 0.66 0.00 0.00 19 E 7.78 4.18 0.00 1.46 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 2.13 2.17 0.00 20 G 9.14 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 0.00 0.00 0.00 0.00 21 C 8.38 4.82 0.00 3.02 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 22 G 8.51 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 0.00 0.00 0.00 0.00 23 N 7.60 4.51 0.00 2.84 2.83 0.00 0.00 5.96 7.63 0.00 0.00 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 E 8.86 3.97 0.00 1.95 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 0.00 2.29 2.30 0.00 25 A 7.60 4.36 1.26 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 0.00 0.00 0.00 26 C 7.81 4.70 0.00 3.09 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 27 T 8.44 4.68 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 1.22 0.00 0.00 28 N 7.69 4.94 0.00 2.75 2.66 0.00 0.00 6.88 8.00 0.00 0.00 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 E 8.64 4.14 0.00 1.81 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 1.76 1.47 0.00 30 F 7.94 4.95 0.00 3.34 3.12 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 31 C 7.75 4.70 0.00 2.91 2.96 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 32 A 8.03 3.44 0.55 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 0.00 0.00 0.00 33 S 8.50 3.96 0.00 4.01 4.09 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 0.00 0.00 0.00 34 C 7.25 5.16 0.00 3.15 2.87 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 35 P 0.00 4.30 0.00 2.04 2.13 0.00 3.68 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 2.03 2.09 0.00 36 T 7.83 4.20 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 1.19 0.00 0.00 37 F 7.86 4.59 0.00 3.15 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 38 L 7.44 4.16 0.00 1.42 1.24 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.23 3.67 0.00 1.76 1.90 0.00 3.52 0.00 0.00 3.61 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 40 M 8.13 4.47 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 41 D 8.17 4.71 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.56 0.00 2.93 3.14 0.00 0.00 7.03 6.97 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 43 N 8.21 4.40 0.00 2.85 2.89 0.00 0.00 7.08 7.36 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 44 A 8.07 4.10 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.50 4.07 1.48 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 0.00 0.00 46 A 8.28 4.17 1.35 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 47 I 7.90 3.65 2.07 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 1.63 1.39 0.94 0.00 0.00 48 K 8.44 4.09 0.00 2.05 1.91 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.60 7.81 49 A 8.03 4.09 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.02 0.00 1.86 1.74 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.05 3.87 0.00 2.11 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 2.56 2.50 0.00 52 L 7.81 3.73 0.00 1.07 1.30 1.07 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.22 3.59 0.00 2.96 2.99 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 54 K 7.75 3.77 0.00 1.85 1.91 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.29 7.81 55 I 7.36 3.75 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.87 0.00 0.00 56 N 7.25 4.07 0.00 2.80 2.88 0.00 0.00 6.86 8.42 0.00 0.00 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 A 7.99 4.28 1.02 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 58 K 8.49 4.20 0.00 1.94 1.92 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 59 L 8.17 4.45 0.00 1.25 1.43 0.32 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.64 4.44 0.00 2.97 2.88 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 61 D 8.29 4.38 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.17 2.10 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 63 H 8.35 4.65 0.00 3.23 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.41 0.00 2.03 1.92 0.00 3.65 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 1.98 2.04 0.00