NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4787 0.0000 0.0000 62.6150 33.6211 174.5099 2 H 5.1771 8.7993 122.1919 54.0649 32.2282 171.0539 3 I 4.4480 8.7502 127.3085 59.4416 40.1383 173.4806 4 D 5.2482 8.6955 126.3635 52.4370 43.5252 174.8941 5 I 4.5185 8.8344 127.1286 59.6595 39.5636 174.5274 6 K 5.6411 8.9975 126.7876 54.2389 34.2151 175.4758 7 C 4.8282 8.6018 117.5296 56.9391 33.1302 173.1543 8 F 5.4589 8.3473 118.0584 56.3483 39.3976 173.6835 9 P 5.2261 0.0000 0.0000 62.7289 31.6930 176.2306 10 R 4.4480 8.5528 119.7392 55.8375 31.7128 174.9094 11 E 4.2776 8.6977 116.4750 55.2247 29.9679 176.7484 12 L 4.9351 8.3303 124.6678 51.5479 44.3556 177.2003 13 D 4.7362 9.1028 124.8378 52.3861 42.1441 177.1363 14 E 3.9519 8.5589 118.0979 59.5677 29.3536 179.3075 15 Q 3.9629 8.0813 119.0892 59.2715 29.1878 178.1567 16 Q 4.0105 8.7584 119.4047 58.9633 28.7008 178.9915 17 K 3.9728 8.2679 119.2948 59.4627 32.0450 179.3544 18 A 3.9799 8.2576 120.8951 54.9489 18.2493 179.6207 19 A 3.9235 8.1871 119.4767 55.0681 18.4113 179.5838 20 L 3.8695 8.1259 118.7246 58.3188 42.1103 179.0212 21 A 3.9711 8.2709 120.6117 55.1271 18.2637 179.5328 22 A 3.9337 8.2580 119.3434 55.3948 18.5024 179.6179 23 D 4.3228 8.2752 117.4869 57.5196 40.8303 179.0945 24 I 3.7155 7.9832 120.3903 64.6141 37.0543 178.3738 25 T 3.8737 8.1541 116.8507 67.0908 68.3360 176.3585 26 D 4.3890 8.1571 120.4891 57.1139 40.7838 179.0263 27 V 3.6322 7.6851 118.4555 66.0966 31.4772 178.1959 28 I 3.7515 7.9753 119.6087 64.3987 36.8262 178.3559 29 I 3.6957 8.1264 121.0438 64.4743 36.7173 178.6965 30 R 3.8381 7.8680 117.4247 59.7432 30.0505 178.5289 31 H 4.4790 8.1060 114.0779 57.3629 29.0021 176.7617 32 L 4.5491 8.0026 118.0751 53.1352 42.3524 175.6151 33 N 4.2000 7.8382 116.1230 54.5308 37.8835 173.9384 34 S 4.5662 7.9717 109.0435 56.8002 64.0394 173.1495 35 K 4.4512 8.1169 123.4734 55.0392 33.5871 177.4956 36 D 4.3742 8.7638 121.1996 57.5397 41.2121 178.9668 37 S 4.2437 7.9885 111.8312 60.9568 63.0946 175.1109 38 S 4.3462 7.7922 115.2820 59.6473 62.9619 173.7176 39 I 4.8851 7.5026 122.2617 59.6568 38.4158 175.4131 40 S 4.8971 8.9244 120.6173 56.6665 66.5975 173.0576 41 I 5.0657 8.3432 121.1801 59.7780 40.6281 174.2680 42 A 4.8490 9.1478 128.8806 49.9913 22.1011 175.1356 43 L 5.0282 8.4902 121.7731 53.5534 44.9806 175.5619 44 Q 4.7165 9.3519 126.5726 54.1679 31.5786 174.9935 45 Q 4.9255 8.7631 123.7259 55.4255 30.6637 174.8085 46 I 4.9358 9.1042 125.1423 59.3169 40.1724 175.7677 47 Q 4.2340 8.7362 125.6039 55.0622 29.6838 175.4674 48 P 3.4326 0.0000 0.0000 65.4790 31.3374 178.3299 49 E 4.1924 8.0042 113.1913 57.8981 29.9529 177.7074 50 S 4.7032 8.2887 116.0508 58.4300 63.3727 175.4732 51 W 4.2200 8.3136 133.3065 60.2635 30.4421 177.5021 52 Q 4.0920 8.4665 119.1828 59.3167 28.3948 178.2087 53 A 4.0694 7.7035 120.8486 55.1553 18.3324 179.7641 54 I 3.4296 7.3498 117.8028 63.9941 37.0925 178.0509 55 W 4.0816 8.1462 129.4843 60.8626 30.3245 177.7920 56 D 4.3483 8.6033 117.3886 56.9591 40.3077 177.9541 57 A 4.2976 7.8608 119.9073 53.3635 19.3450 178.2655 58 E 4.3620 8.3228 115.6355 56.9565 31.3584 177.3704 59 I 3.8676 7.0957 118.0568 62.8361 38.0552 177.4436 60 A 3.4824 7.1259 121.5637 54.6367 18.0925 177.9543 61 P 4.2441 0.0000 0.0000 64.8690 31.7742 177.4892 62 Q 4.4352 7.3306 116.8964 55.5687 28.8543 176.4873 63 M 3.7961 7.4787 122.4957 58.7708 31.9952 177.9575 64 E 4.0874 8.0154 113.0192 57.6648 30.2926 177.0608 65 A 4.2572 7.7315 121.9888 53.3302 19.3489 177.9031 66 L 4.0545 7.2695 116.2825 55.1470 42.0581 177.7034 67 I 3.9220 8.1929 115.1802 62.3412 38.2445 175.9034 68 K 4.4216 7.6407 121.3778 54.5283 34.3830 175.4169 69 K 4.3427 8.4895 126.0289 54.5632 33.2418 175.0924 70 P 4.3998 0.0000 0.0000 62.7026 31.8039 177.0293 71 G 3.7006 8.6722 109.7819 47.7447 0.0000 173.4324 72 Y 4.6364 7.6099 117.2004 55.7611 39.7732 174.4378 73 S 4.4886 8.2349 113.3561 57.1181 65.4531 173.1237 74 M 4.1683 6.4155 124.4889 54.8733 32.2035 175.8639 75 N 4.9670 7.9077 115.6711 52.6223 39.3100 174.1338 76 A 4.2510 7.9032 125.1449 52.4830 18.8857 177.7271 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 P 0.00 4.48 0.00 2.10 2.04 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 2 H 8.80 5.18 0.00 3.17 3.18 0.00 5.88 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.75 4.45 1.83 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 1.10 0.41 0.89 0.00 0.00 4 D 8.70 5.25 0.00 2.62 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 5 I 8.83 4.52 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.97 0.00 0.00 6 K 9.00 5.64 0.00 1.74 1.93 0.00 1.75 0.00 0.00 2.31 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 7 C 8.60 4.83 0.00 2.94 3.05 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 8 F 8.35 5.46 0.00 2.65 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 9 P 0.00 5.23 0.00 1.94 2.08 0.00 3.72 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 10 R 8.55 4.45 0.00 1.88 1.87 0.00 3.41 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 11 E 8.70 4.28 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.89 0.00 12 L 8.33 4.94 0.00 1.57 1.59 0.93 1.14 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 13 D 9.10 4.74 0.00 2.94 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 14 E 8.56 3.95 0.00 2.00 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 0.00 2.41 2.32 0.00 15 Q 8.08 3.96 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 16 Q 8.76 4.01 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 17 K 8.27 3.97 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.61 7.81 18 A 8.26 3.98 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 19 A 8.19 3.92 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 20 L 8.13 3.87 0.00 1.78 1.94 0.93 0.87 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 21 A 8.27 3.97 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 22 A 8.26 3.93 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 23 D 8.28 4.32 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.72 2.00 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 1.71 0.85 0.91 0.00 0.00 25 T 8.15 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 26 D 8.16 4.39 0.00 2.71 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 V 7.69 3.63 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 1.08 0.00 0.00 1.01 0.00 0.00 28 I 7.98 3.75 2.01 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 1.73 0.83 0.92 0.00 0.00 29 I 8.13 3.70 2.02 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 1.72 1.59 0.91 0.00 0.00 30 R 7.87 3.84 0.00 1.90 1.82 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 31 H 8.11 4.48 0.00 3.17 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.00 4.55 0.00 1.70 1.68 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.84 4.20 0.00 2.78 2.86 0.00 0.00 7.02 8.94 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 34 S 7.97 4.57 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.45 0.00 1.82 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.36 7.81 36 D 8.76 4.37 0.00 2.75 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 37 S 7.99 4.24 0.00 4.02 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 38 S 7.79 4.35 0.00 4.02 3.96 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 39 I 7.50 4.89 2.00 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 1.29 0.67 0.92 0.00 0.00 40 S 8.92 4.90 0.00 3.94 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 41 I 8.34 5.07 1.88 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 1.26 0.67 0.96 0.00 0.00 42 A 9.15 4.85 1.25 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 0.00 0.00 0.00 43 L 8.49 5.03 0.00 1.62 1.57 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.35 4.72 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 45 Q 8.76 4.93 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 46 I 9.10 4.94 2.50 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 1.15 0.00 0.00 47 Q 8.74 4.23 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 48 P 0.00 3.43 0.00 1.87 1.48 0.00 3.33 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.80 0.00 49 E 8.00 4.19 0.00 2.07 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 0.00 2.27 2.26 0.00 50 S 8.29 4.70 0.00 4.04 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 51 W 8.31 4.22 0.00 3.83 3.30 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 52 Q 8.47 4.09 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 53 A 7.70 4.07 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 54 I 7.35 3.43 0.91 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 1.35 0.24 0.31 0.00 0.00 55 W 8.15 4.08 0.00 3.54 3.30 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 56 D 8.60 4.35 0.00 2.70 2.76 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 0.00 0.00 0.00 0.00 57 A 7.86 4.30 1.30 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 58 E 8.32 4.36 0.00 1.85 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 2.13 2.34 0.00 59 I 7.10 3.87 1.22 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.26 0.00 0.00 60 A 7.13 3.48 0.99 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 0.00 0.00 61 P 0.00 4.24 0.00 2.13 2.13 0.00 3.26 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 62 Q 7.33 4.44 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 63 M 7.48 3.80 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 64 E 8.02 4.09 0.00 2.09 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 2.24 2.27 0.00 65 A 7.73 4.26 1.30 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 66 L 7.27 4.05 0.00 1.63 1.73 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.19 3.92 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.89 0.00 0.00 68 K 7.64 4.42 0.00 1.66 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.44 7.81 69 K 8.49 4.34 0.00 1.74 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 70 P 0.00 4.40 0.00 1.64 1.79 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 71 G 8.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.61 4.64 0.00 3.06 2.95 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 73 S 8.23 4.49 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 6.42 4.17 0.00 1.46 0.57 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.25 0.00 75 N 7.91 4.97 0.00 2.80 2.86 0.00 0.00 7.00 7.58 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 76 A 7.90 4.25 1.23 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 0.00 0.00