NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5030 8.3049 120.3750 55.7412 33.6988 172.9776 2 I 2.7743 8.2094 120.1699 59.6277 36.9327 169.0937 3 V 3.0548 8.7006 125.9877 62.1513 32.7732 173.6744 4 P 4.2654 0.0000 0.0000 62.3489 31.8190 176.0598 5 V 3.7566 8.2115 122.1935 63.0104 32.1941 172.1517 6 R 4.5053 8.5754 132.1429 54.7033 30.3172 175.4709 7 C 3.9939 8.2181 121.5488 58.8120 32.4182 173.5888 8 F 4.4035 8.3145 126.5978 61.2649 38.1090 176.7200 9 S 4.1239 7.8373 114.4391 61.0532 62.9330 175.1123 10 C 4.3326 7.9153 116.0592 57.9206 30.7139 175.0263 11 G 3.9066 8.3689 108.6102 44.8537 0.0000 173.6355 12 K 3.9212 7.7242 121.5125 56.1057 32.6912 176.3781 13 V 3.8913 8.2008 119.1056 62.5614 31.8859 176.7950 14 V 4.4129 8.0935 118.4982 63.4777 34.4333 175.1094 15 G 3.7507 8.1359 108.6439 49.1244 0.0000 175.1903 16 D 4.4899 8.2548 119.4451 56.3850 39.8775 178.5121 17 K 3.9993 9.1945 121.0947 57.9366 32.0646 178.3768 18 W 4.6489 8.2281 129.0574 60.7940 30.4763 177.4148 19 E 3.7805 8.3456 117.5409 59.5081 29.0682 179.2850 20 S 4.1247 8.1680 114.5497 61.8933 62.6988 176.0482 21 Y 3.9841 7.8849 120.3767 60.8545 38.9973 177.9876 22 L 3.5972 7.6212 119.4098 57.2457 41.4107 179.3667 23 N 4.2167 7.5129 116.8015 55.9717 38.8667 177.2317 24 L 3.8914 7.5213 119.3549 57.0150 41.9852 177.9948 25 L 4.2155 7.7785 117.9907 56.6947 42.8664 177.9356 26 Q 3.8619 7.8519 119.9127 60.2080 29.4346 177.5288 27 E 3.9626 8.0116 120.9720 58.6957 30.5457 177.9996 28 D 4.2403 8.1661 115.6821 56.0515 41.3641 178.1561 29 E 4.2610 7.6759 117.3099 57.7679 26.3123 173.7805 30 L 4.6621 7.6754 123.7492 53.1561 44.9938 176.3602 31 D 4.9763 8.0302 118.1588 51.7402 42.6423 176.3050 32 E 4.0781 8.8585 122.2901 60.0925 29.5491 179.9944 33 G 3.9911 8.1493 104.6936 48.3676 0.0000 175.2643 34 T 4.0557 8.0647 116.7468 65.8230 69.0383 176.8048 35 A 4.0055 8.2336 123.0324 55.5059 18.2861 179.7999 36 L 4.0426 8.3417 117.1270 58.2776 41.8123 179.9244 37 S 4.1955 7.6405 114.5046 61.4137 62.4522 176.7527 38 R 3.9170 8.4247 121.0736 59.4290 29.9717 177.9949 39 L 4.3776 7.6097 114.4734 54.8432 41.5210 177.8044 40 G 3.8434 7.7739 106.9998 45.8135 0.0000 174.7735 41 L 4.2364 7.4884 119.9909 53.0973 40.1322 176.9077 42 K 3.9809 8.0599 126.2787 58.1105 32.5173 178.2022 43 R 4.2813 8.0959 113.6621 55.9170 32.3550 177.0381 44 Y 4.3148 9.0633 119.2764 60.5635 37.3895 178.5775 45 C 3.9628 7.5667 115.2281 61.3290 29.7365 175.1134 46 C 4.2335 7.8317 118.3500 62.0494 28.0907 175.8588 47 R 3.9820 7.9155 119.8938 59.4102 29.3576 179.2897 48 R 3.9579 8.6834 116.0882 59.3166 28.8999 178.5735 49 M 3.8481 7.2988 118.3810 58.5848 32.4895 178.0181 50 I 3.8108 7.4524 119.2832 64.3523 37.3366 177.8308 51 L 3.9376 7.6435 120.0539 57.8962 41.9109 177.7881 52 T 4.4106 7.2624 111.5402 63.7296 69.6009 174.5928 53 H 4.1120 7.5814 121.1348 56.5381 30.0914 175.1628 54 V 4.1541 8.0513 125.4639 60.3386 32.1103 174.7317 55 D 4.5432 7.8717 132.1875 53.3087 40.5015 177.3680 56 L 3.8595 7.9736 122.3404 58.1161 42.0570 179.0128 57 I 4.2626 8.3560 117.9302 64.5769 37.8615 177.1843 58 E 4.0061 8.1876 118.7198 59.6403 29.1945 179.6471 59 K 4.0125 7.8794 116.6761 59.1081 32.0327 179.3628 60 F 4.7300 7.8029 117.1538 60.7777 39.3047 176.7374 61 L 4.3053 8.7395 118.9082 58.0860 41.2218 180.5655 62 R 4.2283 7.7174 114.1454 57.2803 29.8877 176.6690 63 Y 4.3130 8.6620 114.3380 56.6496 40.8345 177.9409 64 N 4.5095 8.1145 122.0706 54.2386 39.1148 172.6821 65 P 4.4699 0.0000 0.0000 62.9504 31.6770 176.6632 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 M 8.30 4.50 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 2 I 8.21 2.77 1.84 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 1.32 0.17 0.84 0.00 0.00 3 V 8.70 3.05 1.93 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 0.65 0.00 0.00 0.28 0.00 0.00 4 P 0.00 4.27 0.00 1.79 1.80 0.00 3.37 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 5 V 8.21 3.76 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 0.80 0.00 0.00 0.92 0.00 0.00 6 R 8.58 4.51 0.00 2.01 2.03 0.00 3.31 0.00 0.00 3.82 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 7 C 8.22 3.99 0.00 2.80 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 8 F 8.31 4.40 0.00 3.03 2.99 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 9 S 7.84 4.12 0.00 3.82 3.83 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 10 C 7.92 4.33 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 12 K 7.72 3.92 0.00 1.77 1.67 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 13 V 8.20 3.89 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 0.72 0.00 0.00 0.93 0.00 0.00 14 V 8.09 4.41 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 0.68 0.00 0.00 0.96 0.00 0.00 15 G 8.14 3.75 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 0.00 0.00 0.00 16 D 8.25 4.49 0.00 2.96 2.96 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 17 K 9.19 4.00 0.00 1.78 2.01 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.57 7.81 18 W 8.23 4.65 0.00 3.36 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 19 E 8.35 3.78 0.00 2.11 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 2.43 2.55 0.00 20 S 8.17 4.12 0.00 4.02 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 21 Y 7.88 3.98 0.00 2.92 3.13 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 22 L 7.62 3.60 0.00 1.33 1.40 -0.22 0.11 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 23 N 7.51 4.22 0.00 2.92 2.76 0.00 0.00 6.81 6.60 0.00 0.00 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 L 7.52 3.89 0.00 1.63 1.64 0.97 0.63 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 25 L 7.78 4.22 0.00 1.50 1.38 0.49 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.85 3.86 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 27 E 8.01 3.96 0.00 1.98 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 2.33 2.29 0.00 28 D 8.17 4.24 0.00 2.62 2.64 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 29 E 7.68 4.26 0.00 1.95 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 0.00 2.25 2.52 0.00 30 L 7.68 4.66 0.00 1.94 1.56 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.03 4.98 0.00 2.83 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 32 E 8.86 4.08 0.00 2.15 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 0.00 2.56 2.62 0.00 33 G 8.15 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 T 8.06 4.06 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 1.22 0.00 0.00 35 A 8.23 4.01 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 36 L 8.34 4.04 0.00 1.77 1.78 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.64 4.20 0.00 4.16 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 38 R 8.42 3.92 0.00 1.85 2.16 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 39 L 7.61 4.38 0.00 1.87 1.74 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.77 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 0.00 0.00 0.00 41 L 7.49 4.24 0.00 1.68 1.66 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.06 3.98 0.00 1.72 1.63 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 43 R 8.10 4.28 0.00 1.72 1.96 0.00 3.11 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 44 Y 9.06 4.31 0.00 3.29 3.17 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 45 C 7.57 3.96 0.00 3.05 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 46 C 7.83 4.23 0.00 2.96 2.96 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 47 R 7.92 3.98 0.00 2.09 2.03 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 48 R 8.68 3.96 0.00 2.08 2.35 0.00 2.81 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 49 M 7.30 3.85 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 50 I 7.45 3.81 1.70 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.29 0.00 0.00 51 L 7.64 3.94 0.00 1.60 1.87 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.26 4.41 4.35 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 1.24 0.00 0.00 53 H 7.58 4.11 0.00 2.94 2.92 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.05 4.15 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 0.87 0.00 0.00 0.99 0.00 0.00 55 D 7.87 4.54 0.00 2.70 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 56 L 7.97 3.86 0.00 1.95 1.28 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.36 4.26 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 1.05 0.00 0.00 58 E 8.19 4.01 0.00 2.20 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 2.68 2.60 0.00 59 K 7.88 4.01 0.00 1.56 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.41 7.81 60 F 7.80 4.73 0.00 3.29 3.07 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 61 L 8.74 4.31 0.00 1.92 1.83 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.72 4.23 0.00 1.95 1.90 0.00 3.20 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 63 Y 8.66 4.31 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.51 0.00 2.80 2.54 0.00 0.00 6.99 7.69 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 65 P 0.00 4.47 0.00 2.24 2.04 0.00 3.92 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 2.01 1.98 0.00