NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3020 8.0427 122.7476 54.9500 44.0627 174.8680 2 Q 4.9090 8.4197 126.2780 52.4312 32.1408 172.4343 3 I 4.6735 9.2315 119.8736 59.0953 42.2934 173.3759 4 F 5.4814 8.9426 120.9285 55.8202 42.0755 175.2177 5 V 4.8621 8.8013 121.3991 60.9999 34.8148 174.2218 6 K 4.6609 9.0326 130.6985 56.3299 33.5037 176.9584 7 T 4.5906 8.8573 119.2638 60.4180 70.9636 174.9994 8 L 4.2010 8.3536 119.9755 57.0794 41.7907 177.9562 9 T 4.1684 7.5302 106.8512 61.6104 69.2516 175.8965 10 G 3.9362 7.8556 110.8987 44.8959 0.0000 173.8828 11 K 4.1631 7.7136 121.2059 56.8273 33.5682 175.4435 12 T 5.1374 8.3944 122.2349 61.8797 70.2893 173.9391 13 I 4.6333 8.8723 119.8573 59.5431 41.0593 174.2798 14 T 5.1127 8.4597 118.9461 61.8528 70.8656 173.7939 15 L 4.7563 8.6853 125.5979 52.7770 45.0183 175.1088 16 E 4.6795 8.7085 124.5138 55.7556 30.3604 175.5676 17 V 4.7180 9.1094 119.6783 59.9201 36.4605 174.2773 18 E 4.8211 9.1849 120.6590 53.8057 32.1649 176.1954 19 P 4.1627 0.0000 0.0000 65.7522 31.3913 177.7851 20 S 4.7351 7.8351 112.0179 58.0309 63.3246 173.8448 21 D 4.4449 7.9754 122.5266 54.5935 41.2675 176.4876 22 T 4.6836 8.2158 113.4834 61.2356 71.2939 175.9240 23 I 3.7192 8.3843 122.9277 64.5230 37.0477 178.4355 24 E 3.9289 8.2751 120.2615 59.3063 29.4135 178.5875 25 N 4.3109 8.2609 116.5586 56.3517 38.5178 177.5333 26 V 3.5783 7.7079 119.5565 65.9619 31.6037 178.2446 27 K 4.2739 8.5780 119.4779 58.8612 31.7755 179.2140 28 A 4.0648 7.9721 121.1976 55.0230 18.3040 179.8780 29 K 3.9419 8.1041 117.1537 59.5663 32.0808 179.7393 30 I 3.7422 8.0909 120.5268 64.3015 36.9402 178.2032 31 Q 4.0634 8.5269 120.8984 59.3969 28.6588 178.1154 32 D 4.3166 8.1492 119.0146 56.8863 40.8649 178.0467 33 K 4.2274 7.6712 118.5250 57.8997 31.8787 177.4846 34 E 4.5609 8.7492 116.3383 54.6869 30.7759 176.2260 35 Q 3.7242 8.0572 116.8728 56.7671 27.0342 173.3445 36 I 4.2754 6.9942 118.7922 58.9471 38.3781 174.4842 37 P 4.4583 0.0000 0.0000 62.2809 32.0186 175.4022 38 P 4.2794 0.0000 0.0000 65.7889 31.4128 178.2830 39 D 4.4138 8.0638 115.9460 55.7512 39.6492 176.7852 40 Q 4.5037 8.2696 117.9093 56.0108 29.2571 174.4625 41 Q 4.8845 7.9834 118.9266 54.2332 31.0713 174.5156 42 R 4.6746 8.9111 123.8914 54.4393 33.1913 174.0162 43 L 5.2762 8.5094 125.2283 53.0392 44.9389 175.2363 44 I 5.0143 8.6524 123.2210 59.4560 40.9959 174.2739 45 F 5.1505 8.8394 127.7461 56.8835 42.5953 174.5693 46 A 3.5212 9.3685 128.2467 53.0354 15.8885 177.9595 47 G 3.8972 8.2819 106.6297 46.8117 0.0000 174.4324 48 K 4.4029 7.9598 120.6261 54.8880 33.4001 175.5022 49 Q 4.5189 8.5228 125.0021 55.9594 29.7646 174.8219 50 L 4.3000 8.4988 126.8016 53.5341 43.3156 175.8246 51 E 4.7287 9.1099 122.6948 54.5246 32.0822 176.9456 52 D 4.3657 9.0365 123.0860 57.5307 41.0491 178.6831 53 G 3.8608 7.9922 104.6428 46.2453 0.0000 173.7408 54 R 4.4188 7.8780 119.8876 55.4943 31.5786 175.5951 55 T 5.0332 8.7626 110.0611 59.7240 71.3152 175.8483 56 L 4.0394 8.4909 122.4477 58.1442 42.0787 179.8460 57 S 4.1036 8.3667 113.2210 61.4851 62.4040 175.9843 58 D 4.2544 7.8405 119.0227 57.0564 40.5213 176.8128 59 Y 4.5413 7.4822 113.2204 56.8080 38.2203 174.7887 60 N 4.1507 7.8965 117.2987 54.4328 37.9938 174.3065 61 I 3.6979 7.5907 117.6973 60.4414 38.1696 175.8002 62 Q 4.4724 8.4839 123.9271 54.3007 31.2559 174.0588 63 K 4.1598 8.5056 116.4041 59.0572 32.6942 176.7246 64 E 3.6577 8.6859 120.0506 56.4494 28.1419 174.8915 65 S 4.4622 7.7768 116.0454 59.5307 64.1579 173.3877 66 T 5.1849 8.8072 119.9034 62.1065 70.0759 173.9082 67 L 4.9844 9.1819 127.0771 53.8316 44.4555 175.1642 68 H 5.0731 9.2764 119.4002 53.9930 31.3517 173.1609 69 L 4.9131 8.5276 125.7633 54.0465 43.2370 175.8094 70 V 4.5004 8.7597 125.8934 60.7515 34.6635 174.2319 71 L 4.5082 8.6274 129.6882 55.0070 42.9605 175.6576 72 R 4.5101 8.7630 127.2378 54.4850 31.4594 175.8623 73 L 4.2137 8.4686 125.5163 55.0837 41.8034 176.8458 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 L 8.04 4.30 0.00 1.75 1.80 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.42 4.91 0.00 2.10 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 3 I 9.23 4.67 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.80 0.00 0.00 4 F 8.94 5.48 0.00 3.03 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 5 V 8.80 4.86 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 1.02 0.00 0.00 0.94 0.00 0.00 6 K 9.03 4.66 0.00 1.74 1.50 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.35 7.81 7 T 8.86 4.59 4.25 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 0.00 0.00 0.00 1.33 0.00 0.00 8 L 8.35 4.20 0.00 1.66 1.77 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.53 4.17 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 7.86 3.94 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 0.00 0.00 0.00 11 K 7.71 4.16 0.00 1.85 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.39 5.14 4.16 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 0.00 0.00 1.13 0.00 0.00 13 I 8.87 4.63 1.90 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 1.35 1.12 0.93 0.00 0.00 14 T 8.46 5.11 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 1.18 0.00 0.00 15 L 8.69 4.76 0.00 1.53 1.48 0.92 0.82 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 16 E 8.71 4.68 0.00 1.92 1.83 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 2.24 2.37 0.00 17 V 9.11 4.72 2.04 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 0.69 0.00 0.00 0.88 0.00 0.00 18 E 9.18 4.82 0.00 1.85 1.79 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 2.19 2.19 0.00 19 P 0.00 4.16 0.00 2.19 2.29 0.00 3.66 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 2.06 1.98 0.00 20 S 7.84 4.74 0.00 3.86 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 21 D 7.98 4.44 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.68 4.47 0.00 0.00 0.00 0.00 0.00 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 23 I 8.38 3.72 2.05 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 1.79 0.95 0.91 0.00 0.00 24 E 8.28 3.93 0.00 2.20 1.95 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 2.31 2.36 0.00 25 N 8.26 4.31 0.00 3.13 2.85 0.00 0.00 6.64 7.03 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 26 V 7.71 3.58 2.20 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 1.09 0.00 0.00 0.95 0.00 0.00 27 K 8.58 4.27 0.00 2.00 1.84 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.46 7.81 28 A 7.97 4.06 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 29 K 8.10 3.94 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.65 7.81 30 I 8.09 3.74 2.13 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 1.41 0.84 0.95 0.00 0.00 31 Q 8.53 4.06 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 32 D 8.15 4.32 0.00 2.83 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 33 K 7.67 4.23 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 34 E 8.75 4.56 0.00 2.09 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 2.22 2.45 0.00 35 Q 8.06 3.72 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 36 I 6.99 4.28 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 1.30 0.68 0.91 0.00 0.00 37 P 0.00 4.46 0.00 2.32 1.97 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.28 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.06 4.41 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.50 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.98 4.88 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 R 8.91 4.67 0.00 1.85 1.90 0.00 3.05 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.51 5.28 0.00 1.58 1.49 0.90 0.83 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 44 I 8.65 5.01 1.89 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 1.12 0.98 0.91 0.00 0.00 45 F 8.84 5.15 0.00 2.92 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 46 A 9.37 3.52 0.53 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 47 G 8.28 3.90 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 0.00 0.00 0.00 48 K 7.96 4.40 0.00 1.85 1.78 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.57 7.81 49 Q 8.52 4.52 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 50 L 8.50 4.30 0.00 1.42 1.28 0.72 -0.03 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 51 E 9.11 4.73 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 52 D 9.04 4.37 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 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 54 R 7.88 4.42 0.00 2.23 1.81 0.00 3.10 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 55 T 8.76 5.03 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 56 L 8.49 4.04 0.00 1.91 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.37 4.10 0.00 4.03 3.85 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 58 D 7.84 4.25 0.00 2.63 2.27 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 Y 7.48 4.54 0.00 3.07 3.08 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 60 N 7.90 4.15 0.00 2.88 2.98 0.00 0.00 7.13 7.26 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 61 I 7.59 3.70 1.79 0.00 0.00 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 -0.29 -0.01 0.60 0.00 0.00 62 Q 8.48 4.47 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 63 K 8.51 4.16 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 E 8.69 3.66 0.00 2.24 2.37 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 2.37 2.27 0.00 65 S 7.78 4.46 0.00 3.71 3.66 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 66 T 8.81 5.18 4.39 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 1.23 0.00 0.00 67 L 9.18 4.98 0.00 1.57 1.60 0.85 0.80 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 68 H 9.28 5.07 0.00 3.02 3.21 0.00 5.60 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 69 L 8.53 4.91 0.00 1.66 1.70 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.76 4.50 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 0.97 0.00 0.00 0.94 0.00 0.00 71 L 8.63 4.51 0.00 1.68 1.55 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.76 4.51 0.00 1.79 1.82 0.00 3.31 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.47 4.21 0.00 1.68 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00