NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.9638 8.3549 108.0183 46.1479 0.0000 172.7712 13 I 4.4962 8.1686 121.1480 59.5667 38.5524 173.9393 14 L 4.9041 9.4527 126.3794 53.2222 46.3588 175.1857 15 T 5.0768 8.5392 118.2763 61.8652 70.8044 173.3871 16 I 4.5687 8.9497 127.1564 59.1396 41.1670 174.0103 17 R 5.0837 8.6803 127.6493 54.5328 32.2893 175.2264 18 L 4.7073 8.8137 124.3320 52.7329 43.8439 175.7039 19 L 4.5431 8.5427 126.7074 55.4359 42.9924 175.9356 20 M 5.0041 8.5963 124.0957 54.0469 36.8353 174.7713 21 H 4.8901 8.4715 120.0746 54.8615 29.6848 176.4582 22 G 3.6787 8.4590 106.6320 47.6426 0.0000 175.3499 23 K 3.8249 8.0532 121.8243 59.0921 32.3308 178.1571 24 E 3.9758 8.3394 117.9462 59.7920 29.4137 179.6880 25 V 3.7799 7.8843 117.9382 65.8482 31.6325 177.9458 26 G 3.8204 8.2098 105.0958 48.0359 0.0000 175.0443 27 S 4.1021 7.5077 113.7918 61.5097 62.7283 176.2295 28 I 3.8740 7.2545 121.0660 64.2614 36.7876 178.6493 29 I 3.7968 7.9541 120.8578 62.8036 37.1568 176.6926 30 G 4.2800 7.5135 108.1537 44.1090 0.0000 172.7391 31 K 3.8552 8.2833 117.3099 57.9540 32.3305 177.8250 32 K 3.8514 9.6427 120.4385 56.7724 30.0356 176.5705 33 G 3.9905 8.3841 108.0377 45.5072 0.0000 175.4637 34 E 3.9939 8.1557 119.1647 59.8258 29.5669 178.8899 35 S 4.1631 8.3142 116.2920 61.1142 62.8394 176.3515 36 V 3.5360 7.6933 119.1588 66.0898 31.2987 177.9907 37 K 3.8002 7.8207 118.9461 59.8855 31.4697 178.6814 38 R 4.0230 8.0653 117.7814 59.5461 30.0807 179.1905 39 I 3.9006 7.7844 118.9306 64.3557 37.0477 178.6667 40 R 3.9734 8.4551 119.4247 59.1531 29.7847 178.8070 41 E 3.9695 7.9309 117.1481 59.3976 29.6070 178.7653 42 E 4.3019 9.2858 117.3783 57.6907 29.9134 178.2126 43 S 4.4928 8.0600 113.6437 58.5856 64.9151 174.3398 44 G 3.6362 8.4368 107.6320 45.6420 0.0000 172.8840 45 A 4.7181 7.3936 117.3150 49.7250 23.4262 177.9564 46 R 4.0184 9.1284 120.1313 56.8143 30.6430 175.4464 47 I 4.9271 8.2004 125.0781 59.4994 39.0385 175.0084 48 N 5.0921 9.1664 125.0863 51.8345 42.6381 172.9372 49 I 5.3561 8.4912 125.1891 58.0037 40.3634 175.4086 50 S 4.3267 8.9314 122.5759 58.6401 63.6649 174.0549 51 E 4.4594 8.6436 121.2142 55.0704 32.0577 174.1411 52 G 4.0731 8.6287 107.7906 46.2993 0.0000 174.4411 53 N 4.7214 8.3461 120.6916 52.9581 36.9874 175.1974 54 C 4.4630 7.4965 116.0253 58.5994 29.7835 173.0022 55 P 4.4657 0.0000 0.0000 65.0546 32.1581 175.6788 56 E 4.8944 8.1543 119.0261 54.4213 32.0803 175.8123 57 R 4.7478 9.3853 122.8600 54.3423 34.5791 174.8711 58 I 4.8844 8.3783 119.7091 59.9789 40.8955 174.9659 59 I 4.6290 8.3650 128.9061 60.3717 38.7567 175.0092 60 T 4.9922 9.2843 125.3763 61.7703 70.8701 173.6492 61 L 5.2669 9.1534 126.4596 53.2785 44.8466 175.7701 62 T 5.7604 8.8606 119.4636 60.0014 73.2027 174.7445 63 G 3.9590 8.4841 112.5629 44.1915 0.0000 169.3508 64 P 4.5198 0.0000 0.0000 63.0923 32.0834 177.4650 65 T 3.6924 8.5368 118.9193 67.0071 68.8920 175.4406 66 N 3.8957 8.1862 118.0528 56.4244 38.4480 176.8332 67 A 4.1376 7.9312 121.7497 55.4662 18.3963 179.6288 68 I 3.7407 7.7788 117.4824 64.6247 37.2776 178.3204 69 F 4.2928 8.3609 118.4122 60.6844 38.7675 177.5295 70 K 3.9171 8.8835 118.0759 59.6983 31.8613 179.1236 71 A 3.9889 8.4324 120.8047 55.1473 18.3107 179.0536 72 F 4.1921 8.8206 119.3409 61.6098 39.4331 176.9892 73 A 4.0398 8.6901 120.3129 55.7615 17.7293 179.5654 74 M 4.0311 8.4449 117.3319 58.3901 31.8197 179.1596 75 I 3.6373 8.4220 121.0533 64.5339 37.3600 178.2657 76 I 3.4565 8.0195 121.4932 64.5157 36.8169 178.0999 77 D 4.2673 7.8889 119.3208 57.3806 40.5055 178.8148 78 K 4.0587 7.3899 117.7916 59.5609 32.4718 178.5074 79 L 4.1049 7.6751 119.4691 57.3847 41.4580 178.8130 80 E 3.9434 8.5038 120.0456 59.2832 29.3805 178.3932 81 E 4.4178 8.2495 113.1679 57.1649 29.4340 176.4846 82 D 4.7928 7.6148 118.0133 54.1319 41.4899 176.2309 83 I 3.9833 7.4604 113.8339 60.3935 36.9928 175.5970 84 N 4.4689 8.7993 124.3409 55.8410 38.8643 175.8039 85 S 4.3656 7.7361 117.3347 59.3875 63.9348 176.3268 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 12 G 8.35 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 0.00 0.00 0.00 13 I 8.17 4.50 1.86 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 1.33 0.48 0.94 0.00 0.00 14 L 9.45 4.90 0.00 1.56 1.50 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.54 5.08 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 1.22 0.00 0.00 16 I 8.95 4.57 1.87 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 1.20 1.15 0.98 0.00 0.00 17 R 8.68 5.08 0.00 1.71 1.83 0.00 3.29 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 18 L 8.81 4.71 0.00 1.59 1.63 1.03 0.43 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 19 L 8.54 4.54 0.00 1.63 1.56 0.97 0.90 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 20 M 8.60 5.00 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.83 0.00 21 H 8.47 4.89 0.00 3.17 3.25 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.82 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.56 7.81 24 E 8.34 3.98 0.00 2.31 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 2.42 2.45 0.00 25 V 7.88 3.78 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 1.01 0.00 0.00 0.97 0.00 0.00 26 G 8.21 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 27 S 7.51 4.10 0.00 3.85 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 28 I 7.25 3.87 2.00 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 1.49 0.96 0.90 0.00 0.00 29 I 7.95 3.80 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 1.46 0.62 0.91 0.00 0.00 30 G 7.51 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 0.00 0.00 0.00 0.00 31 K 8.28 3.86 0.00 1.95 1.80 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.45 7.81 32 K 9.64 3.85 0.00 1.91 1.93 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.36 7.81 33 G 8.38 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 0.00 0.00 0.00 34 E 8.16 3.99 0.00 2.13 2.29 0.00 0.00 0.00 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 2.50 0.00 35 S 8.31 4.16 0.00 4.09 4.03 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 36 V 7.69 3.54 2.08 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 1.04 0.00 0.00 0.99 0.00 0.00 37 K 7.82 3.80 0.00 1.89 2.04 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.52 7.81 38 R 8.07 4.02 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 39 I 7.78 3.90 1.97 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 1.64 0.99 0.93 0.00 0.00 40 R 8.46 3.97 0.00 1.83 1.97 0.00 3.13 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 1.66 1.91 0.00 41 E 7.93 3.97 0.00 2.14 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 2.46 0.00 42 E 9.29 4.30 0.00 2.07 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 2.31 2.40 0.00 43 S 8.06 4.49 0.00 4.24 4.17 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 0.00 0.00 0.00 0.00 44 G 8.44 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 45 A 7.39 4.72 1.20 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 0.00 0.00 46 R 9.13 4.02 0.00 1.96 1.93 0.00 3.15 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 47 I 8.20 4.93 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.93 0.00 0.00 48 N 9.17 5.09 0.00 2.80 2.60 0.00 0.00 6.55 7.42 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 49 I 8.49 5.36 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 1.04 1.78 0.92 0.00 0.00 50 S 8.93 4.33 0.00 3.87 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 51 E 8.64 4.46 0.00 2.09 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 2.20 2.23 0.00 52 G 8.63 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 53 N 8.35 4.72 0.00 2.73 2.82 0.00 0.00 7.05 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 54 C 7.50 4.46 0.00 3.12 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 55 P 0.00 4.47 0.00 2.13 2.32 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 56 E 8.15 4.89 0.00 1.83 1.86 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 2.20 2.23 0.00 57 R 9.39 4.75 0.00 1.65 1.81 0.00 3.23 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 58 I 8.38 4.88 1.88 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 1.23 1.56 0.92 0.00 0.00 59 I 8.37 4.63 1.90 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 1.24 0.72 0.93 0.00 0.00 60 T 9.28 4.99 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 1.22 0.00 0.00 61 L 9.15 5.27 0.00 1.56 1.59 1.06 0.58 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 62 T 8.86 5.76 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 1.25 0.00 0.00 63 G 8.48 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 0.00 0.00 0.00 64 P 0.00 4.52 0.00 2.17 2.15 0.00 3.73 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 2.04 1.97 0.00 65 T 8.54 3.69 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 0.66 0.00 0.00 66 N 8.19 3.90 0.00 2.60 2.81 0.00 0.00 6.92 7.54 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 67 A 7.93 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.78 3.74 2.16 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 1.81 0.80 1.01 0.00 0.00 69 F 8.36 4.29 0.00 3.29 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 70 K 8.88 3.92 0.00 2.02 1.94 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 71 A 8.43 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.19 0.00 3.21 3.25 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 73 A 8.69 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.03 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 75 I 8.42 3.64 1.84 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 1.49 0.85 0.79 0.00 0.00 76 I 8.02 3.46 1.77 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 0.88 0.22 0.77 0.00 0.00 77 D 7.89 4.27 0.00 3.00 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 78 K 7.39 4.06 0.00 1.73 1.81 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.61 7.81 79 L 7.68 4.10 0.00 1.62 1.65 0.90 0.72 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 80 E 8.50 3.94 0.00 2.10 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 2.29 2.30 0.00 81 E 8.25 4.42 0.00 2.11 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 2.50 2.33 0.00 82 D 7.61 4.79 0.00 2.81 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 83 I 7.46 3.98 1.86 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 1.49 0.51 0.94 0.00 0.00 84 N 8.80 4.47 0.00 2.71 2.91 0.00 0.00 7.05 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 85 S 7.74 4.37 0.00 3.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00