NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2746 0.0000 0.0000 61.7154 33.4296 176.2899 3 L 4.5606 7.7305 119.1921 51.5596 44.2039 174.7784 4 K 4.0041 10.7800 128.9654 56.3169 34.7908 175.5013 5 P 4.2555 0.0000 0.0000 65.9098 30.8385 178.3271 6 E 3.9372 8.3276 117.3858 59.6232 29.2455 178.7988 7 E 4.1459 7.9938 117.7990 59.7893 29.7307 178.6625 8 H 4.2202 8.5752 118.3855 59.0039 29.9349 176.9153 9 E 4.0341 8.9620 121.7478 58.9705 29.3108 178.6016 10 D 4.3127 7.7215 118.1735 57.3059 41.0796 178.3898 11 I 3.6594 7.4312 120.4607 64.4978 36.8843 178.3737 12 L 3.9145 7.5293 118.1686 58.0698 41.4127 179.1403 13 N 4.4351 8.0547 116.0877 56.1274 38.5295 177.4404 14 K 4.0472 8.3500 121.5071 59.2660 32.1171 178.6013 15 L 4.2234 7.6503 117.1622 56.4556 41.7913 177.8389 16 L 3.9881 7.2805 118.7978 56.6993 42.5326 175.9374 17 D 4.6618 7.6064 118.2030 52.5023 41.3063 175.2152 18 P 4.3093 0.0000 0.0000 65.4872 31.5465 177.2683 19 E 4.2381 8.5024 115.6331 56.5254 29.4480 176.6168 20 L 4.0074 7.6387 122.2344 54.2702 42.7637 176.9351 21 A 4.0250 8.6748 126.9744 52.9853 20.1163 178.4405 22 Q 3.8881 8.6362 122.9545 59.0392 29.1180 178.6021 23 S 4.0904 8.0251 113.9707 61.5118 62.5968 175.8028 24 E 4.0444 7.9830 120.4374 58.8051 29.5717 178.6317 25 R 4.0604 8.2884 118.8324 58.8769 29.9248 178.3316 26 T 4.0648 7.7895 114.9633 65.8821 68.7369 176.3428 27 E 4.0452 7.9498 121.3312 59.1493 29.8560 178.7010 28 A 3.9536 7.7952 120.2396 55.3448 18.6067 179.5800 29 L 3.9686 7.7870 116.9027 57.9451 41.5672 179.4431 30 Q 3.9211 7.9249 119.6242 59.0271 28.9638 177.8950 31 Q 3.9314 7.9988 118.4236 59.1948 28.9068 179.4736 32 L 4.1467 7.7851 119.2102 58.0401 41.7414 179.4860 33 R 3.8817 7.8550 117.9866 59.6163 30.1394 178.2871 34 V 3.5710 8.3242 118.0079 66.4881 31.5164 176.9341 35 N 4.2688 9.0366 117.2984 57.1933 38.7661 175.6961 36 Y 4.1832 9.0237 120.9226 60.9444 38.5792 178.9101 37 G 3.6437 8.0399 105.5424 47.8692 0.0000 175.0708 38 S 4.2443 7.9839 116.0375 60.9108 62.3638 175.7349 39 F 3.8882 8.2757 123.1428 61.7369 39.0003 177.4843 40 V 3.6039 7.8637 117.3863 66.2153 31.1789 177.4383 41 S 4.1116 8.3212 113.2495 61.0770 62.2514 175.5523 42 E 3.9103 8.2060 120.4250 59.8564 29.2577 178.9359 43 Y 4.0155 8.2796 119.1579 60.9430 38.7029 177.9765 44 N 4.2737 8.1392 115.9213 56.4316 38.8142 176.8377 45 D 4.3942 8.4384 120.7061 57.2872 41.0654 178.2334 46 L 3.8358 8.3405 120.9548 58.9939 42.0880 179.5049 47 T 3.7394 7.8410 115.3832 66.1325 68.2492 176.5494 48 K 3.9220 8.2354 122.6067 59.3741 32.3781 178.8794 49 S 4.1164 8.0293 114.0362 61.7728 62.6134 175.8997 50 H 3.9841 8.1122 121.3376 59.2337 29.4624 176.9244 51 E 4.0173 7.8056 118.5801 59.6996 29.5118 178.9452 52 K 3.9744 8.2339 119.4775 59.0608 32.2356 178.3961 53 L 4.1402 8.8242 120.3948 57.4283 41.8826 179.8002 54 A 3.9479 8.3952 120.1537 54.8077 18.1380 179.6311 55 A 4.0564 8.5495 119.9759 55.3950 18.5909 179.7210 56 E 3.9528 8.0925 116.5829 59.1944 29.5131 179.2936 57 K 3.9845 8.1887 119.9919 59.3912 32.1684 178.2939 58 D 4.2638 7.6082 116.8268 57.4280 41.2109 177.7864 59 D 4.3565 8.0079 119.2745 57.5522 40.8072 178.8653 60 L 4.0033 8.3612 119.5442 57.9403 41.5440 179.6407 61 I 3.6635 8.3406 119.8839 64.2754 37.0162 178.3222 62 V 3.5630 7.9317 118.9567 66.3400 31.3491 177.8997 63 S 4.0711 8.5610 112.8425 61.5316 62.1936 175.5807 64 N 4.3138 8.4688 119.8624 56.8968 38.5885 177.0131 65 S 4.1672 8.3962 116.8848 61.3495 62.8445 176.5210 66 K 3.9337 8.3801 122.5249 59.6141 32.0344 178.4825 67 L 3.9645 8.5127 119.5566 58.0407 41.7085 179.4084 68 F 4.0458 8.4020 120.0765 61.3999 39.1781 176.8152 69 R 3.8727 8.1573 117.1820 59.7638 30.1017 177.8712 70 Q 4.0544 8.4344 119.3590 59.2468 28.6080 178.0316 71 I 3.7459 7.7245 121.0311 64.4349 36.8758 178.5891 72 G 3.1523 7.4957 104.8566 47.1436 0.0000 175.3982 73 L 4.1830 7.5543 120.6583 57.3857 41.8725 177.0250 74 T 4.1158 7.2547 118.8951 63.7179 68.4931 174.3928 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 P 0.00 4.27 0.00 2.16 2.16 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.74 0.00 3 L 7.73 4.56 0.00 1.93 1.63 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 K 10.78 4.00 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.65 7.81 5 P 0.00 4.26 0.00 2.18 2.14 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 6 E 8.33 3.94 0.00 2.01 1.99 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 2.40 2.38 0.00 7 E 7.99 4.15 0.00 2.20 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 2.42 2.46 0.00 8 H 8.58 4.22 0.00 3.23 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.96 4.03 0.00 2.29 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 2.32 2.40 0.00 10 D 7.72 4.31 0.00 2.90 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 11 I 7.43 3.66 1.99 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 1.51 1.31 0.86 0.00 0.00 12 L 7.53 3.91 0.00 1.77 1.70 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.05 4.44 0.00 2.89 2.86 0.00 0.00 6.75 7.57 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 14 K 8.35 4.05 0.00 1.86 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 15 L 7.65 4.22 0.00 1.87 1.68 0.88 0.76 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 16 L 7.28 3.99 0.00 1.61 1.68 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.61 4.66 0.00 2.78 2.52 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 0.00 18 P 0.00 4.31 0.00 2.07 2.09 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 19 E 8.50 4.24 0.00 2.06 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 2.34 2.24 0.00 20 L 7.64 4.01 0.00 1.65 1.72 0.92 1.03 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 21 A 8.67 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.64 3.89 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 23 S 8.03 4.09 0.00 3.92 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 24 E 7.98 4.04 0.00 2.13 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 2.56 2.36 0.00 25 R 8.29 4.06 0.00 1.85 2.13 0.00 3.39 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 T 7.79 4.06 4.32 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 1.21 0.00 0.00 27 E 7.95 4.05 0.00 2.11 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 0.00 2.31 2.33 0.00 28 A 7.80 3.95 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 L 7.79 3.97 0.00 1.99 1.74 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.92 3.92 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 31 Q 8.00 3.93 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 32 L 7.79 4.15 0.00 1.89 1.73 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.86 3.88 0.00 2.00 2.29 0.00 3.13 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 34 V 8.32 3.57 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 0.97 0.00 0.00 1.01 0.00 0.00 35 N 9.04 4.27 0.00 2.89 3.07 0.00 0.00 6.92 5.12 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 36 Y 9.02 4.18 0.00 3.18 3.03 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 0.00 0.00 0.00 37 G 8.04 3.64 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 0.00 0.00 0.00 38 S 7.98 4.24 0.00 3.97 4.04 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 39 F 8.28 3.89 0.00 3.08 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 V 7.86 3.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.58 0.00 0.00 41 S 8.32 4.11 0.00 3.94 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 0.00 42 E 8.21 3.91 0.00 1.99 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 2.31 2.41 0.00 43 Y 8.28 4.02 0.00 3.31 3.23 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 0.00 44 N 8.14 4.27 0.00 2.93 2.88 0.00 0.00 7.14 7.62 0.00 0.00 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 D 8.44 4.39 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 3.84 0.00 1.67 1.63 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.84 3.74 4.21 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 1.13 0.00 0.00 48 K 8.24 3.92 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 49 S 8.03 4.12 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 50 H 8.11 3.98 0.00 3.35 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.81 4.02 0.00 2.15 2.02 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 2.35 2.59 0.00 52 K 8.23 3.97 0.00 1.82 1.96 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 L 8.82 4.14 0.00 1.85 1.66 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.40 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 4.06 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 56 E 8.09 3.95 0.00 2.00 2.00 0.00 0.00 0.00 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 2.53 0.00 57 K 8.19 3.98 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 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 58 D 7.61 4.26 0.00 2.88 2.78 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 0.00 0.00 0.00 59 D 8.01 4.36 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.36 4.00 0.00 1.82 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.34 3.66 1.93 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 1.39 0.77 0.90 0.00 0.00 62 V 7.93 3.56 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 1.09 0.00 0.00 0.99 0.00 0.00 63 S 8.56 4.07 0.00 4.11 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 64 N 8.47 4.31 0.00 2.86 3.06 0.00 0.00 7.27 7.93 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 65 S 8.40 4.17 0.00 4.06 3.92 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 0.00 0.00 0.00 66 K 8.38 3.93 0.00 1.83 1.93 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 67 L 8.51 3.96 0.00 1.98 1.79 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.40 4.05 0.00 3.23 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 69 R 8.16 3.87 0.00 2.09 2.13 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 70 Q 8.43 4.05 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 71 I 7.72 3.75 1.81 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 0.75 0.79 0.00 0.00 72 G 7.50 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.55 4.18 0.00 1.74 1.70 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.25 4.12 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