NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4428 0.0000 0.0000 62.2944 33.1676 176.5246 4 R 4.4779 7.4901 116.4650 53.3469 34.4622 174.4140 5 P 4.3265 0.0000 0.0000 65.7129 32.8707 178.1607 6 L 3.7858 8.1099 117.7638 58.0635 41.0171 179.0718 7 D 4.4883 7.7015 116.3955 56.5725 40.5581 178.8703 8 V 3.4321 7.8017 119.5108 65.6202 31.4926 177.7955 9 L 3.8871 7.8501 119.0492 57.5784 41.4214 178.6231 10 N 4.5384 7.6478 116.7193 57.1702 38.6510 176.7661 11 R 4.2323 7.7743 116.8448 57.9138 30.2987 177.4048 12 S 4.7583 8.3133 114.7742 57.9225 63.5961 173.5847 13 L 4.3982 7.7492 121.3713 55.9503 41.6630 177.5692 14 K 4.0603 9.5466 121.9557 56.6432 30.3971 175.8680 15 S 5.0480 7.6178 114.6876 55.6304 66.8383 171.7449 16 P 4.9691 0.0000 0.0000 63.2762 32.6771 175.5750 17 V 5.1027 9.2187 114.8398 60.0473 37.1028 173.8910 18 I 4.8177 9.1424 121.4673 59.7625 40.5794 175.1541 19 V 4.5705 9.0949 127.4886 61.0680 33.9365 174.0231 20 R 4.4948 7.7785 129.1817 55.0645 31.0561 175.7003 21 L 4.9563 8.3022 126.2421 52.9387 44.4244 176.2022 22 K 4.1179 8.7323 121.1753 57.7495 32.3747 177.8016 23 G 4.0185 8.9696 110.9633 44.5127 0.0000 173.5964 24 G 4.1287 7.8728 108.5434 46.1545 0.0000 174.7894 25 R 4.2243 7.9246 118.1537 56.8135 31.5152 175.1790 26 E 5.1115 8.7680 119.4797 55.1821 33.8159 173.6319 27 F 5.1055 9.4807 123.0593 55.6557 43.0810 174.4200 28 R 5.0192 8.5413 121.3883 55.1474 33.4001 175.0199 29 G 4.2505 8.2660 110.5628 46.3067 0.0000 171.2181 30 T 4.8723 8.1838 116.9335 62.3927 70.0188 174.6078 31 L 4.3598 8.9624 129.7870 55.3582 42.4544 176.4492 32 D 4.4959 8.8595 126.4646 55.0002 43.3731 175.5821 33 G 4.0597 7.6147 103.8688 46.3059 0.0000 171.2956 34 Y 5.8716 7.8991 116.6696 57.6780 40.5859 172.3780 35 D 4.9017 8.2417 118.0770 51.7300 42.6698 175.9703 36 I 3.7654 8.3450 118.6110 64.6492 37.0817 177.0455 37 H 4.4800 8.2224 115.7175 56.4162 28.8339 176.0951 38 M 3.4035 8.4233 119.2721 55.1444 31.7481 175.6019 39 N 4.9042 8.3443 114.9864 53.9783 39.9542 174.0393 40 L 5.3859 9.1079 121.1576 53.0575 46.5894 175.4490 41 V 4.8936 8.4578 121.5326 61.1600 34.1356 174.3952 42 L 5.3514 8.8625 126.9532 52.9757 45.5285 175.4115 43 L 4.9514 8.8397 121.6962 53.8769 44.9248 175.5859 44 D 4.8376 8.4294 116.1147 55.2724 38.3667 172.8051 45 A 5.2512 8.9528 123.4366 49.8726 23.4413 175.0169 46 E 4.9845 8.8869 118.7973 54.4243 33.1335 174.8987 47 E 3.8326 8.8411 125.9693 55.2134 31.2386 174.9725 48 I 4.9048 8.8206 128.1824 59.5696 40.7572 174.7439 49 Q 4.2072 8.6863 127.3797 54.7096 31.2216 174.3870 50 N 3.9905 9.3540 126.3783 54.7506 35.5502 175.3584 51 G 4.0007 8.0590 101.5296 45.7627 0.0000 171.2928 52 E 4.5611 7.6326 120.2453 53.8070 32.2210 174.9362 53 V 4.2127 8.3121 125.3867 62.6585 31.8519 175.7530 54 V 4.2817 8.1017 120.3133 61.9451 32.9055 176.2690 55 R 4.6579 7.4146 117.3826 55.0394 34.5111 173.8429 56 K 5.0941 8.5925 120.6438 54.8732 35.5673 176.1314 57 V 4.5195 8.9327 116.9643 59.7664 35.8862 176.5130 58 G 3.9029 9.0631 111.7872 49.0342 0.0000 173.0926 59 S 5.7991 8.1113 111.6322 58.8584 65.4446 175.3331 60 V 4.4347 7.9572 119.4353 60.6885 34.5560 172.4509 61 V 4.6161 8.2952 123.3705 61.4414 33.0905 174.5290 62 I 4.3670 8.8780 130.0277 59.2353 39.6098 175.6127 63 R 4.4484 8.5461 126.5252 55.8165 30.6766 177.8278 64 G 3.9774 9.5929 112.2849 47.4460 0.0000 175.1218 65 D 4.3466 8.1179 118.4358 56.7504 41.5365 176.6826 66 T 4.2733 7.8449 107.8485 61.6383 69.5740 174.5681 67 V 4.0729 7.3387 123.4412 62.9794 32.1363 175.4061 68 V 4.1787 8.8675 128.1754 64.9111 32.4266 175.7251 69 F 4.9462 7.1123 112.1420 56.0123 40.7503 173.0007 70 V 5.1759 8.6364 119.6709 61.3854 34.2793 174.6622 71 S 4.9222 9.0770 120.9669 55.9472 66.7422 171.6212 72 P 4.7839 0.0000 0.0000 62.7161 31.9399 176.0990 73 A 4.1903 8.6334 124.7869 52.6371 18.2609 177.3093 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 3 P 0.00 4.44 0.00 2.06 2.12 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 7.49 4.48 0.00 2.11 1.75 0.00 3.14 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 5 P 0.00 4.33 0.00 2.15 2.07 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 6 L 8.11 3.79 0.00 1.65 1.66 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.70 4.49 0.00 2.87 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 8 V 7.80 3.43 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 1.01 0.00 0.00 0.96 0.00 0.00 9 L 7.85 3.89 0.00 0.85 1.32 0.47 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.65 4.54 0.00 2.84 3.09 0.00 0.00 7.21 7.53 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 11 R 7.77 4.23 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 12 S 8.31 4.76 0.00 3.93 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 13 L 7.75 4.40 0.00 1.80 1.64 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.55 4.06 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 15 S 7.62 5.05 0.00 3.89 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 16 P 0.00 4.97 0.00 2.14 2.19 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 9.22 5.10 2.24 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 0.93 0.00 0.00 1.04 0.00 0.00 18 I 9.14 4.82 2.04 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 1.18 0.79 1.00 0.00 0.00 19 V 9.09 4.57 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 0.85 0.00 0.00 0.94 0.00 0.00 20 R 7.78 4.49 0.00 1.19 0.66 0.00 3.17 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.41 0.00 21 L 8.30 4.96 0.00 1.68 1.58 1.18 0.83 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 22 K 8.73 4.12 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 23 G 8.97 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.87 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.92 4.22 0.00 1.78 1.86 0.00 3.14 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 26 E 8.77 5.11 0.00 1.96 1.65 0.00 0.00 0.00 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 2.29 0.00 27 F 9.48 5.11 0.00 2.97 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 28 R 8.54 5.02 0.00 1.74 1.83 0.00 3.16 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 G 8.27 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 0.00 0.00 0.00 0.00 30 T 8.18 4.87 4.26 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 1.28 0.00 0.00 31 L 8.96 4.36 0.00 1.81 1.80 1.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.86 4.50 0.00 2.67 2.80 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 0.00 0.00 0.00 33 G 7.61 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 0.00 0.00 0.00 34 Y 7.90 5.87 0.00 2.87 2.91 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 35 D 8.24 4.90 0.00 2.86 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 36 I 8.34 3.77 1.73 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 1.43 0.53 0.88 0.00 0.00 37 H 8.22 4.48 0.00 3.39 3.30 0.00 5.64 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 38 M 8.42 3.40 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 39 N 8.34 4.90 0.00 3.06 2.73 0.00 0.00 6.75 6.36 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 40 L 9.11 5.39 0.00 1.46 1.51 0.89 0.68 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 41 V 8.46 4.89 2.07 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 1.12 0.00 0.00 0.91 0.00 0.00 42 L 8.86 5.35 0.00 1.54 1.52 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.84 4.95 0.00 1.56 1.55 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.43 4.84 0.00 2.73 2.68 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 45 A 8.95 5.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.98 0.00 1.87 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 0.00 2.20 2.21 0.00 47 E 8.84 3.83 0.00 1.36 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.50 0.00 48 I 8.82 4.90 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.60 0.92 0.00 0.00 49 Q 8.69 4.21 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 50 N 9.35 3.99 0.00 2.99 2.80 0.00 0.00 6.94 7.80 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 51 G 8.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 4.56 0.00 2.10 1.72 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 2.16 2.22 0.00 53 V 8.31 4.21 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 0.82 0.00 0.00 0.90 0.00 0.00 54 V 8.10 4.28 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 0.73 0.00 0.00 0.90 0.00 0.00 55 R 7.41 4.66 0.00 1.74 1.75 0.00 3.40 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 56 K 8.59 5.09 0.00 1.59 1.68 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.42 7.81 57 V 8.93 4.52 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 0.78 0.00 0.00 1.09 0.00 0.00 58 G 9.06 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 59 S 8.11 5.80 0.00 3.82 3.79 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 0.00 0.00 0.00 60 V 7.96 4.43 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 0.35 0.00 0.00 0.68 0.00 0.00 61 V 8.30 4.62 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 0.79 0.00 0.00 0.90 0.00 0.00 62 I 8.88 4.37 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.24 0.79 0.00 0.00 63 R 8.55 4.45 0.00 1.81 1.84 0.00 3.44 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 64 G 9.59 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.12 4.35 0.00 2.64 2.70 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 66 T 7.84 4.27 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 67 V 7.34 4.07 2.19 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 0.73 0.00 0.00 0.92 0.00 0.00 68 V 8.87 4.18 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 0.99 0.00 0.00 0.94 0.00 0.00 69 F 7.11 4.95 0.00 3.09 3.12 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 0.00 0.00 0.00 0.00 70 V 8.64 5.18 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 0.89 0.00 0.00 0.93 0.00 0.00 71 S 9.08 4.92 0.00 3.91 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 72 P 0.00 4.78 0.00 2.11 2.11 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 73 A 8.63 4.19 1.28 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