NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2016 8.1233 123.5831 53.1955 20.0715 176.8535 3 E 3.5460 8.7058 118.5659 57.1848 27.1041 174.9931 4 A 4.1141 7.7003 121.8128 54.8593 19.4400 180.0274 5 L 3.9080 7.8769 118.5303 58.2443 42.1806 178.7856 6 F 3.8927 8.1856 120.1342 61.2604 39.1799 177.1339 7 K 4.0189 8.1899 117.0100 59.1016 31.8501 178.6223 8 E 4.0923 7.6458 118.8712 58.8727 29.6112 178.3000 9 I 3.8889 7.2092 119.1334 62.9159 38.4844 177.0105 10 D 4.5393 7.3499 119.7222 53.6386 38.5860 175.6364 11 V 3.7164 7.7384 123.5137 64.8684 32.2375 176.7562 12 N 4.4501 8.4113 115.9014 53.0271 37.6142 175.3691 13 G 3.8646 7.9499 107.2890 46.8591 0.0000 173.8796 14 D 4.5592 8.8467 117.7297 52.7121 39.7797 177.2972 15 G 4.0713 8.9581 108.1812 45.5365 0.0000 173.3092 16 A 4.8650 8.0654 121.6869 50.0423 21.6118 175.9514 17 V 4.1308 8.4353 121.7635 61.4626 32.7644 176.3989 18 S 4.7105 8.7208 122.8228 57.1125 66.1340 174.4809 19 Y 4.0095 8.4378 122.3212 60.9092 38.4600 177.7683 20 E 3.9043 8.2136 119.7763 59.1431 29.8381 178.5135 21 E 3.9438 8.0529 118.5591 59.0753 29.4498 179.2896 22 V 3.5097 7.6607 118.3369 65.9159 31.5112 177.9752 23 K 3.6966 7.6966 119.0043 59.4607 31.9725 178.6193 24 A 4.0312 7.9594 120.9823 54.7365 18.2237 179.4827 25 F 4.0846 8.2048 119.5449 61.4451 39.5421 177.7608 26 V 3.4813 8.1197 117.9505 65.7538 31.2410 178.3536 27 S 3.9967 7.8155 114.8608 61.4753 62.6698 176.3264 28 K 3.8073 7.9558 122.2224 59.4236 31.7449 178.9843 29 K 3.7335 7.8156 118.7368 59.2916 32.0328 179.4404 30 R 3.8378 7.8130 118.1232 59.3851 29.9426 179.0726 31 A 4.0355 7.9145 120.2112 54.8157 18.3210 179.9003 32 I 3.5894 7.5008 118.4263 64.4022 37.1650 178.3166 33 K 3.8607 7.9269 120.5296 59.5114 31.8618 178.2846 34 N 4.2538 8.0832 117.0288 56.8789 38.8262 176.6504 35 E 3.9043 8.3603 120.0338 59.3932 29.5214 179.3479 36 Q 4.0695 8.0162 117.7866 58.1975 29.0289 177.7789 37 L 3.8921 8.0333 121.4456 58.2406 42.1704 178.5548 38 L 3.9037 8.1408 120.2861 58.5226 41.9360 178.7504 39 Q 4.0264 7.8283 118.9477 58.2449 28.9841 177.7677 40 L 3.9944 7.7609 121.6551 58.0332 42.1584 178.6539 41 I 3.6440 7.9828 119.9879 64.4546 37.1005 177.8427 42 F 3.8765 8.3748 121.2354 61.3905 38.9949 176.7313 43 K 4.0232 8.1971 117.9458 59.9588 31.9515 178.1518 44 S 4.2114 7.7030 111.9159 61.6083 62.4991 175.9732 45 I 3.7473 7.4752 121.1007 63.6498 38.2599 177.4387 46 D 4.5173 8.0843 120.4413 53.7792 36.8722 176.6428 47 A 4.2733 7.4023 118.6407 53.0528 18.6529 177.8363 48 D 4.6631 7.4483 113.2421 52.4967 40.9288 175.7171 49 G 4.0043 8.6563 107.6433 46.8877 0.0000 173.9236 50 N 4.6133 8.8361 115.0029 52.6971 37.1660 176.1048 51 G 4.0704 9.9133 107.1374 45.5801 0.0000 172.7426 52 E 4.9345 7.7434 114.5167 55.6037 32.6940 174.1359 53 I 4.4631 8.1906 119.7389 59.5756 38.7126 176.2985 54 D 4.7862 8.6498 126.5236 52.1927 42.5708 177.3084 55 Q 4.0981 8.4342 117.3984 58.9489 28.5877 178.4116 56 N 4.3258 8.2794 117.1730 56.5191 38.7668 176.9026 57 E 3.9723 8.8525 120.0081 59.4850 29.5974 179.2482 58 F 4.1314 8.6633 120.6919 61.1844 39.3885 176.8523 59 A 4.0359 8.6341 120.7607 55.1204 18.0026 179.1866 60 K 3.7396 7.7816 116.6344 59.8413 32.4817 178.3233 61 F 4.1752 7.9587 119.9579 61.5240 39.2666 176.4291 62 Y 3.6786 8.1655 119.6024 60.4016 38.3940 178.1120 63 G 3.5403 8.1077 105.2685 46.9125 0.0000 175.3327 64 S 4.4240 7.2624 116.6178 60.1478 63.1062 174.2418 65 I 3.3992 7.3177 125.2220 62.6853 36.1712 176.7040 66 Q 3.5901 7.6492 123.0898 54.4468 27.8177 173.0000 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 2 A 8.12 4.20 1.28 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 0.00 0.00 0.00 0.00 0.00 3 E 8.71 3.55 0.00 2.27 2.06 0.00 0.00 0.00 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 2.23 0.00 4 A 7.70 4.11 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 5 L 7.88 3.91 0.00 1.80 1.70 1.00 0.91 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 6 F 8.19 3.89 0.00 3.10 3.20 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 7 K 8.19 4.02 0.00 1.96 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.88 7.81 8 E 7.65 4.09 0.00 2.09 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 2.49 2.42 0.00 9 I 7.21 3.89 1.32 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 0.53 0.00 0.00 10 D 7.35 4.54 0.00 1.96 2.38 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 11 V 7.74 3.72 2.05 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 0.86 0.00 0.00 0.96 0.00 0.00 12 N 8.41 4.45 0.00 2.86 2.91 0.00 0.00 7.00 7.09 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 13 G 7.95 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 0.00 0.00 0.00 14 D 8.85 4.56 0.00 2.80 2.82 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 15 G 8.96 4.07 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 0.00 16 A 8.07 4.86 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 17 V 8.44 4.13 1.98 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 0.70 0.00 0.00 0.04 0.00 0.00 18 S 8.72 4.71 0.00 4.12 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 19 Y 8.44 4.01 0.00 3.14 3.04 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 20 E 8.21 3.90 0.00 2.14 1.97 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 2.37 2.38 0.00 21 E 8.05 3.94 0.00 2.13 1.98 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 2.35 2.26 0.00 22 V 7.66 3.51 1.98 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 1.01 0.00 0.00 0.93 0.00 0.00 23 K 7.70 3.70 0.00 1.30 1.71 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.36 7.81 24 A 7.96 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 4.08 0.00 3.10 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 26 V 8.12 3.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 27 S 7.82 4.00 0.00 3.99 3.84 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 0.00 0.00 0.00 28 K 7.96 3.81 0.00 1.83 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 29 K 7.82 3.73 0.00 1.75 1.63 0.00 1.24 0.00 0.00 1.22 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 0.48 7.81 30 R 7.81 3.84 0.00 1.93 1.94 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 31 A 7.91 4.04 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 32 I 7.50 3.59 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.87 0.00 0.00 33 K 7.93 3.86 0.00 1.80 1.93 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 N 8.08 4.25 0.00 3.06 2.77 0.00 0.00 7.22 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 35 E 8.36 3.90 0.00 2.25 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 2.47 0.00 36 Q 8.02 4.07 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 37 L 8.03 3.89 0.00 1.75 1.66 0.93 0.43 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 38 L 8.14 3.90 0.00 2.02 1.67 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.83 4.03 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 40 L 7.76 3.99 0.00 2.08 1.79 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.98 3.64 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.86 0.00 0.00 42 F 8.37 3.88 0.00 3.20 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 43 K 8.20 4.02 0.00 1.92 2.22 0.00 1.89 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.54 7.81 44 S 7.70 4.21 0.00 4.00 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 45 I 7.48 3.75 1.46 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.38 0.68 0.00 0.00 46 D 8.08 4.52 0.00 2.25 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 47 A 7.40 4.27 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 48 D 7.45 4.66 0.00 2.71 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 49 G 8.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.84 4.61 0.00 2.84 2.98 0.00 0.00 7.06 6.63 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 51 G 9.91 4.07 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 0.00 52 E 7.74 4.93 0.00 2.15 2.03 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 2.25 2.38 0.00 53 I 8.19 4.46 1.79 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.13 0.95 0.00 0.00 54 D 8.65 4.79 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 4.10 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 56 N 8.28 4.33 0.00 2.94 2.90 0.00 0.00 7.15 7.66 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 57 E 8.85 3.97 0.00 2.14 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 2.32 2.33 0.00 58 F 8.66 4.13 0.00 3.13 3.27 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 0.00 59 A 8.63 4.04 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.78 3.74 0.00 1.96 1.90 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 61 F 7.96 4.18 0.00 3.11 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 62 Y 8.17 3.68 0.00 2.21 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 63 G 8.11 3.54 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 0.00 0.00 0.00 0.00 64 S 7.26 4.42 0.00 3.71 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.32 3.40 1.49 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.11 0.77 0.00 0.00 66 Q 7.65 3.59 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00