NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A G 4.0786 8.3393 109.7406 45.8107 0.0000 175.4551 1 S 4.5824 7.9783 113.5233 56.3020 61.9995 174.9200 2 S 4.6448 10.0274 117.1726 56.4655 64.5391 174.8228 3 C 4.6661 8.5421 122.9416 54.9063 41.3328 171.3422 4 P 4.2916 0.0000 0.0000 64.1410 31.2152 177.4743 5 G 4.4174 8.5785 105.9485 45.7336 0.0000 172.9012 6 K 3.4287 8.1796 118.8500 57.2462 32.1122 176.3937 7 S 4.6183 8.3915 121.2387 59.5034 63.7999 173.7126 8 S 5.2110 7.2596 112.8581 57.3671 65.1726 174.3821 9 W 4.4992 9.6532 123.7548 56.0378 31.0120 175.8411 10 P 4.3211 0.0000 0.0000 64.2862 30.7454 178.4999 11 H 4.9218 9.2926 115.0955 54.6975 31.1435 171.1105 12 L 4.4477 8.0714 120.4753 53.8375 42.2233 176.6678 13 V 4.6595 6.7529 119.4763 63.9068 31.7081 176.2098 14 G 3.9097 9.0997 115.4189 45.5733 0.0000 173.4075 15 V 4.0059 7.6273 118.3333 62.0284 31.6523 172.7865 16 G 4.0681 8.1119 113.3207 45.3068 0.0000 175.1740 17 G 3.7283 8.7570 110.5352 48.2289 0.0000 175.3370 18 S 4.0746 8.0371 115.8954 61.1281 62.9777 176.2476 19 V 3.5344 7.7758 121.5581 65.2627 31.3146 177.8890 20 A 3.9657 8.0733 120.1466 55.0561 18.1676 179.4483 21 K 3.7167 8.3053 118.1099 59.7254 32.2722 178.7249 22 A 4.0475 8.2743 121.2200 55.3369 18.1413 179.7527 23 I 3.7980 7.7886 118.2884 64.7074 37.1479 178.6670 24 I 4.3076 7.8409 120.6682 64.5059 36.6311 178.4803 25 E 4.0214 8.0746 118.6271 59.5817 29.5438 179.3206 26 R 4.1361 8.3429 116.5339 58.4747 30.2130 178.3289 27 Q 4.4784 8.5147 117.5398 56.8380 30.0292 175.5331 28 N 4.8172 8.4852 119.0079 51.6663 39.8260 172.7094 29 P 4.5085 0.0000 0.0000 64.2162 31.6578 176.9749 30 N 4.8020 8.1989 114.1366 53.1181 39.0967 174.8374 31 V 4.6893 8.0112 112.3670 59.2937 34.7491 175.3623 32 K 4.3427 8.8430 125.9416 55.7111 33.9906 175.5721 33 A 4.7184 8.4395 128.0367 50.8571 19.5461 176.7249 34 V 4.0735 8.4864 122.4886 62.5975 34.0965 175.5320 35 I 4.8150 7.8507 124.8525 59.7606 39.7928 174.2922 36 L 4.4858 7.8232 126.9673 51.9756 45.7602 176.1929 37 E 4.4508 8.2805 121.8815 56.2025 30.6672 174.2865 38 E 4.4441 9.1120 127.3381 59.0900 29.2936 175.2886 39 G 3.4762 9.4761 120.0576 45.2861 0.0000 171.4916 40 T 3.8525 8.9742 118.5796 63.4529 68.3987 171.8920 41 P 4.4072 0.0000 0.0000 63.1607 30.2808 175.6540 42 V 4.6606 7.7976 117.4414 59.4227 34.6503 175.2197 43 T 4.1873 8.3750 117.5561 64.2453 69.1190 173.6747 44 K 4.1020 8.2762 121.5696 57.8981 33.4837 176.4866 45 D 4.4607 7.8232 117.7968 53.9721 41.4547 175.4755 46 F 5.4849 8.4952 121.7209 56.0250 41.3924 175.2757 47 R 4.7583 8.2766 121.6773 54.4895 32.4038 177.7470 48 C 4.5952 8.9980 119.2680 58.7409 41.6301 173.7756 49 N 4.9853 7.9512 117.3490 52.1073 37.3087 174.7355 50 R 4.8122 7.7109 119.3135 56.1301 33.1876 175.1867 51 V 3.5018 8.7646 126.2438 61.9672 32.0469 175.3425 52 R 4.3252 8.1548 129.7762 55.8382 29.8631 175.3553 53 I 4.3527 8.6322 128.2545 60.3022 39.0373 175.2564 54 W 5.8983 8.8508 123.9807 54.0700 34.0341 174.3598 55 V 5.0072 8.3599 113.9921 59.5827 34.2769 175.0384 56 N 4.9203 8.9049 123.7161 51.5432 38.3060 176.3108 57 K 4.0771 8.8593 121.0678 60.1356 32.3570 177.8196 58 R 3.9365 7.9479 116.8323 57.4779 30.0100 176.4378 59 G 3.8218 8.9892 106.1597 46.0696 0.0000 172.8690 60 L 4.8264 8.1836 117.5815 52.7613 47.3233 176.0319 61 V 4.1670 8.2728 119.4578 61.7586 33.0407 174.8194 62 V 4.2471 9.0073 124.1514 60.6055 30.8141 173.9348 63 S 4.4114 8.1397 118.5451 56.1741 63.7662 171.9162 64 P 4.2359 0.0000 0.0000 62.3566 30.7909 176.0193 65 P 4.8870 0.0000 0.0000 62.5478 30.6920 176.1823 66 R 5.1801 8.4594 115.8873 55.0219 31.8766 174.7999 67 I 4.0234 8.7861 125.0387 60.4776 39.3492 175.8069 68 G 3.9514 8.4014 112.1287 46.3415 0.0000 173.4293 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 1A G 8.34 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 1 S 7.98 4.58 0.00 4.07 3.26 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 2 S 10.03 4.64 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.54 4.67 0.00 3.03 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 4 P 0.00 4.29 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 5 G 8.58 4.42 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 0.00 6 K 8.18 3.43 0.00 1.37 0.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.87 7.81 7 S 8.39 4.62 0.00 3.90 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 8 S 7.26 5.21 0.00 3.97 3.83 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 9 W 9.65 4.50 0.00 3.21 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 10 P 0.00 4.32 0.00 2.15 1.92 0.00 4.02 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 11 H 9.29 4.92 0.00 3.04 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.07 4.45 0.00 1.72 1.69 0.83 1.02 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 13 V 6.75 4.66 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 0.87 0.00 0.00 0.95 0.00 0.00 14 G 9.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 4.01 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 0.75 0.00 0.00 0.93 0.00 0.00 16 G 8.11 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 17 G 8.76 3.73 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 0.00 0.00 0.00 18 S 8.04 4.07 0.00 4.04 4.06 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 0.00 0.00 0.00 19 V 7.78 3.53 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 20 A 8.07 3.97 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 21 K 8.31 3.72 0.00 1.73 2.01 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 22 A 8.27 4.05 1.38 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 0.00 0.00 23 I 7.79 3.80 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 1.22 0.00 0.00 24 I 7.84 4.31 1.98 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.55 0.96 0.00 0.00 25 E 8.07 4.02 0.00 2.12 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 2.36 2.46 0.00 26 R 8.34 4.14 0.00 1.99 2.02 0.00 3.18 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 27 Q 8.51 4.48 0.00 2.31 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 28 N 8.49 4.82 0.00 2.73 2.85 0.00 0.00 7.37 8.28 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 29 P 0.00 4.51 0.00 2.09 2.11 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 30 N 8.20 4.80 0.00 2.88 2.87 0.00 0.00 6.76 7.69 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 31 V 8.01 4.69 2.17 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 0.83 0.00 0.00 1.22 0.00 0.00 32 K 8.84 4.34 0.00 1.88 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.41 7.81 33 A 8.44 4.72 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.49 4.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 35 I 7.85 4.81 1.71 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 1.20 0.64 0.78 0.00 0.00 36 L 7.82 4.49 0.00 0.27 0.73 0.60 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.28 4.45 0.00 1.94 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 2.33 2.24 0.00 38 E 9.11 4.44 0.00 2.10 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 2.30 2.16 0.00 39 G 9.48 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 0.00 0.00 0.00 40 T 8.97 3.85 4.38 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 1.17 0.00 0.00 41 P 0.00 4.41 0.00 2.08 2.09 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 42 V 7.80 4.66 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 1.00 0.00 0.00 1.48 0.00 0.00 43 T 8.38 4.19 4.28 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 1.22 0.00 0.00 44 K 8.28 4.10 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.16 1.28 7.81 45 D 7.82 4.46 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 5.48 0.00 3.01 2.86 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 47 R 8.28 4.76 0.00 1.89 1.85 0.00 3.18 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 48 C 9.00 4.60 0.00 3.00 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 49 N 7.95 4.99 0.00 3.12 3.03 0.00 0.00 6.11 7.69 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 50 R 7.71 4.81 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 51 V 8.76 3.50 1.76 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 0.27 0.00 0.00 0.06 0.00 0.00 52 R 8.15 4.33 0.00 1.64 1.99 0.00 3.27 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 53 I 8.63 4.35 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.55 0.81 0.00 0.00 54 W 8.85 5.90 0.00 3.23 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 55 V 8.36 5.01 2.21 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 0.84 0.00 0.00 0.99 0.00 0.00 56 N 8.90 4.92 0.00 2.91 2.97 0.00 0.00 6.32 7.37 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 57 K 8.86 4.08 0.00 1.90 2.06 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 58 R 7.95 3.94 0.00 1.83 2.05 0.00 3.40 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 59 G 8.99 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 60 L 8.18 4.83 0.00 1.85 1.53 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.27 4.17 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 1.01 0.00 0.00 0.95 0.00 0.00 62 V 9.01 4.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.09 0.00 0.00 63 S 8.14 4.41 0.00 3.67 3.69 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 64 P 0.00 4.24 0.00 2.10 2.01 0.00 3.64 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 65 P 0.00 4.89 0.00 2.25 2.50 0.00 3.63 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 66 R 8.46 5.18 0.00 1.74 1.94 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 67 I 8.79 4.02 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 0.99 0.00 0.00 68 G 8.40 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00