NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4481 8.1627 118.3255 55.2995 33.2146 173.2482 2 Q 4.8270 8.2695 120.7885 52.6739 31.3433 172.7572 3 I 4.5855 8.8878 119.8410 59.1504 42.2808 173.4150 4 F 5.4155 9.2775 120.8805 55.6862 42.7790 174.6091 5 V 4.8220 8.8180 121.1653 61.1788 34.7548 174.2081 6 K 4.9861 9.0183 128.2322 55.1735 33.8668 177.2148 7 T 4.6992 8.8025 116.6039 60.5552 70.0709 175.3712 8 L 4.1453 8.3885 120.5885 57.0950 41.5930 178.1847 9 T 4.2503 7.5812 106.8754 61.3152 69.2565 175.7428 10 G 3.9560 7.9668 111.4233 44.9721 0.0000 174.0683 11 K 4.0546 7.5451 120.6780 56.7156 32.7841 175.2172 12 T 5.1899 8.4159 121.5294 61.7823 70.5842 173.4697 13 I 4.6571 8.8013 120.1727 59.4427 40.7174 174.5562 14 T 4.9043 8.4597 120.0205 62.0417 70.7329 173.9032 15 L 4.7759 8.3943 124.1507 52.8594 46.0632 174.9463 16 E 4.8474 8.6817 123.2407 54.8573 30.8830 175.1410 17 V 4.6821 8.7321 119.5530 60.1745 36.5636 174.0661 18 E 4.7049 9.7049 120.7428 53.9716 32.1502 176.0621 19 P 4.1387 0.0000 0.0000 65.5803 31.5209 178.1300 20 S 4.5272 7.8429 109.5953 58.3368 63.9175 174.1061 21 D 4.4104 8.0513 123.2621 54.8894 41.4071 176.3181 22 T 4.7210 8.1673 113.5108 60.9940 71.5555 176.0636 23 I 3.7612 8.3094 122.4039 64.2928 37.0335 178.3958 24 E 3.9286 8.1777 120.3611 59.3956 29.4396 178.7029 25 N 4.3254 7.9558 115.9794 56.2583 38.5851 177.5726 26 V 3.5574 7.6731 119.2120 65.9859 31.6170 178.2039 27 K 4.2693 8.6742 119.6874 58.8955 31.8374 179.1850 28 A 4.0043 7.9859 120.9638 55.0949 18.2756 179.8850 29 K 3.9703 7.9899 117.0468 59.5936 32.0787 179.7239 30 I 3.7489 7.9799 120.3172 64.1858 36.9835 178.2023 31 Q 4.0848 8.2555 120.5599 59.3709 28.6759 178.1354 32 D 4.4042 7.8617 118.7371 57.1945 40.8960 178.7708 33 K 4.1354 7.9518 117.9867 59.1037 32.3134 178.5043 34 E 4.6168 8.6003 115.5443 55.2597 30.9615 177.2745 35 G 3.8731 8.3608 107.0573 45.4862 0.0000 173.2408 36 I 4.0401 7.4697 120.5176 59.4244 37.8174 174.1949 37 P 4.3437 0.0000 0.0000 62.0458 32.0964 175.4469 38 P 4.2589 0.0000 0.0000 65.8010 31.3497 178.0440 39 D 4.5342 8.0978 114.9365 55.1080 39.4600 176.5107 40 Q 4.4968 7.9496 117.8134 55.6823 29.4983 175.0007 41 Q 4.4078 7.9201 119.2849 54.5397 30.0447 174.4469 42 R 4.6311 8.4359 122.3883 54.5829 33.1817 173.5856 43 L 5.2510 8.5254 126.0598 53.2295 44.4840 175.5474 44 I 5.0826 8.6650 122.7434 59.6186 41.5250 174.6258 45 F 4.9220 9.0164 127.3884 56.7266 42.3898 174.3972 46 A 3.4204 9.0729 131.4316 53.2338 15.6145 177.3632 47 G 3.8586 7.9816 105.6650 45.9781 0.0000 173.1737 48 K 4.4905 7.7717 120.2227 54.3019 33.7833 175.1573 49 Q 4.4881 8.5617 125.4455 55.8158 29.7846 174.7776 50 L 4.0766 8.3719 127.1117 53.6178 42.9972 176.2057 51 E 4.4294 9.4555 124.0914 55.3997 30.9200 177.4123 52 D 4.3630 9.0856 123.3439 57.4960 41.0657 178.3724 53 G 3.9016 8.0743 104.5058 45.6134 0.0000 173.2843 54 R 4.5108 7.8083 119.3870 54.6964 32.2066 175.6310 55 T 4.9121 8.4729 110.1726 59.8395 71.1497 175.9874 56 L 4.0815 8.4848 122.1252 57.9473 41.8789 180.3329 57 S 4.1790 8.1228 113.8524 61.4544 62.5645 176.2174 58 D 4.2554 7.5973 121.8197 56.4623 40.4529 177.2666 59 Y 4.6847 7.4874 114.1409 56.6852 38.5580 174.9175 60 N 4.2444 8.1590 116.0571 54.2924 36.7186 174.3783 61 I 3.5856 7.6888 119.4897 60.8274 37.7130 175.9790 62 Q 4.6106 8.1289 124.2349 53.1988 31.3361 175.0393 63 K 4.0489 8.3232 117.8411 58.5899 32.2562 177.3577 64 E 4.0644 9.9081 121.1957 56.9194 27.9813 175.0148 65 S 4.6428 7.8158 115.3727 58.9064 64.3812 173.1430 66 T 5.2685 8.6675 117.9334 62.0257 70.8235 173.6565 67 L 5.0668 9.4017 126.3168 53.4209 45.1164 175.0052 68 H 5.3577 8.9896 118.1189 54.0794 31.9004 173.0863 69 L 4.8627 8.7055 123.4004 54.0706 42.7551 177.3565 70 V 4.1168 8.4410 116.0496 61.5764 32.1755 175.4698 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 8.16 4.45 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 2 Q 8.27 4.83 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 3 I 8.89 4.59 1.86 0.00 0.00 0.77 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 0.63 0.79 0.00 0.00 4 F 9.28 5.42 0.00 2.98 2.94 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 5 V 8.82 4.82 2.10 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 1.06 0.00 0.00 0.92 0.00 0.00 6 K 9.02 4.99 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.34 7.81 7 T 8.80 4.70 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 1.23 0.00 0.00 8 L 8.39 4.15 0.00 1.67 1.78 0.93 0.82 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 9 T 7.58 4.25 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 10 G 7.97 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 11 K 7.55 4.05 0.00 1.93 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.42 5.19 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 1.29 0.00 0.00 13 I 8.80 4.66 1.89 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 1.44 0.71 0.98 0.00 0.00 14 T 8.46 4.90 4.23 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 0.96 0.00 0.00 15 L 8.39 4.78 0.00 1.49 1.40 0.89 0.48 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 16 E 8.68 4.85 0.00 1.88 1.79 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 2.17 2.33 0.00 17 V 8.73 4.68 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 0.67 0.00 0.00 0.89 0.00 0.00 18 E 9.70 4.70 0.00 1.83 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 2.20 2.23 0.00 19 P 0.00 4.14 0.00 2.15 2.10 0.00 3.56 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 2.10 2.07 0.00 20 S 7.84 4.53 0.00 3.96 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 D 8.05 4.41 0.00 2.86 2.62 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 0.00 0.00 0.00 0.00 22 T 8.17 4.72 4.45 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 1.22 0.00 0.00 23 I 8.31 3.76 2.13 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 1.78 1.14 0.91 0.00 0.00 24 E 8.18 3.93 0.00 2.18 1.95 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 2.31 2.36 0.00 25 N 7.96 4.33 0.00 2.98 2.84 0.00 0.00 6.67 7.70 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 26 V 7.67 3.56 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 1.00 0.00 0.00 0.90 0.00 0.00 27 K 8.67 4.27 0.00 1.97 1.84 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.52 7.81 28 A 7.99 4.00 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 29 K 7.99 3.97 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.98 3.75 2.14 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 1.40 0.70 0.91 0.00 0.00 31 Q 8.26 4.08 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.86 4.40 0.00 2.85 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 33 K 7.95 4.14 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.61 7.81 34 E 8.60 4.62 0.00 1.86 1.96 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 2.24 2.43 0.00 35 G 8.36 3.87 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 0.00 0.00 0.00 36 I 7.47 4.04 1.87 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 1.42 0.59 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.10 4.53 0.00 2.78 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 40 Q 7.95 4.50 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 41 Q 7.92 4.41 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 42 R 8.44 4.63 0.00 1.84 1.74 0.00 3.15 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 43 L 8.53 5.25 0.00 1.59 1.51 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.08 1.91 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 1.12 1.00 0.96 0.00 0.00 45 F 9.02 4.92 0.00 2.98 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 46 A 9.07 3.42 0.68 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 47 G 7.98 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 0.00 0.00 0.00 48 K 7.77 4.49 0.00 1.97 1.77 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.54 7.81 49 Q 8.56 4.49 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.37 4.08 0.00 1.41 1.23 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.46 4.43 0.00 2.04 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 0.00 2.36 2.41 0.00 52 D 9.09 4.36 0.00 2.80 2.75 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 53 G 8.07 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 54 R 7.81 4.51 0.00 2.20 1.70 0.00 3.06 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 55 T 8.47 4.91 4.31 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 1.28 0.00 0.00 56 L 8.48 4.08 0.00 1.90 1.69 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.12 4.18 0.00 4.06 4.19 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 0.00 0.00 0.00 0.00 58 D 7.60 4.26 0.00 2.42 2.31 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 59 Y 7.49 4.68 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 60 N 8.16 4.24 0.00 3.03 3.05 0.00 0.00 6.93 7.16 0.00 0.00 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 I 7.69 3.59 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.52 0.00 0.00 62 Q 8.13 4.61 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 63 K 8.32 4.05 0.00 1.73 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 64 E 9.91 4.06 0.00 2.22 2.28 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 2.34 2.58 0.00 65 S 7.82 4.64 0.00 3.74 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 66 T 8.67 5.27 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 1.16 0.00 0.00 67 L 9.40 5.07 0.00 1.55 1.57 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.99 5.36 0.00 3.12 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 4.86 0.00 1.69 1.61 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.44 4.12 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 0.65 0.00 0.00 0.97 0.00 0.00