NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4812 0.0000 0.0000 62.3787 33.6075 175.0652 2 I 4.6948 8.2792 123.1102 59.2124 40.2885 172.8666 3 A 4.7451 9.1748 130.1171 49.9888 22.0599 174.5803 4 Q 4.8722 8.7066 123.0506 54.4937 31.2567 174.4065 5 I 4.4577 8.6076 128.1826 60.0141 39.6511 174.5618 6 H 5.2485 8.8174 123.9907 54.1731 30.0874 174.0172 7 I 4.6017 8.4556 116.9569 58.5180 41.0595 175.0547 8 L 4.6393 8.3275 123.5924 54.3362 42.0586 176.8898 9 E 3.9964 9.1688 121.5123 57.0820 30.1180 176.5251 10 G 3.4215 8.7444 113.9264 45.7697 0.0000 174.3494 11 R 4.3294 7.4992 119.6084 55.5875 31.1731 176.5963 12 S 4.5609 8.4635 115.3249 57.6823 65.6580 175.1484 13 D 4.3644 8.4547 121.6400 57.5742 40.5209 178.9487 14 E 4.0063 8.0849 118.6847 59.4560 29.5266 179.2130 15 Q 4.0146 7.9125 118.1074 58.8427 28.7793 178.8149 16 K 4.0937 8.0855 119.3045 58.8733 32.1360 179.0384 17 E 3.9839 8.2263 119.9626 59.2604 29.5206 179.0546 18 T 3.8333 8.0325 115.9615 66.4248 68.5854 176.2420 19 L 3.9155 7.8018 122.2661 58.5431 41.8277 179.1692 20 I 3.7097 7.8211 119.4328 64.1707 36.9512 178.5635 21 R 3.9040 7.7433 119.1634 59.4292 30.0275 178.0892 22 E 3.8916 8.5625 118.6848 59.7374 29.6211 179.6303 23 V 3.6050 7.9258 117.8889 66.2417 31.6298 178.2988 24 S 4.1713 7.8564 114.8165 61.3965 62.5409 176.5135 25 E 3.9803 8.2636 121.2222 59.2051 29.3387 178.8673 26 A 4.0098 8.1098 120.8486 55.3510 18.3535 179.8865 27 I 3.6540 7.7243 117.9630 64.3988 37.2580 178.3226 28 S 4.1655 7.8619 113.7805 61.6746 62.2369 176.6039 29 R 3.9937 8.3864 118.9504 59.3040 29.0540 178.8753 30 S 4.2769 8.0000 115.1723 60.3905 62.9002 175.4831 31 L 4.5446 7.6830 118.3512 53.1049 42.3825 175.5933 32 D 4.3279 7.4874 115.6941 55.1199 40.2264 172.9009 33 A 4.7246 7.7420 118.8502 48.9480 21.1586 176.0750 34 P 4.3149 0.0000 0.0000 62.4980 32.1259 177.0235 35 L 3.9337 8.8768 124.9811 58.4057 41.9891 178.9068 36 T 4.0175 7.9079 107.0183 63.6892 68.6953 174.7788 37 S 4.4220 8.0390 116.2893 59.2374 63.8950 174.7068 38 V 4.0128 7.4570 122.1296 62.9340 32.0829 175.5464 39 R 4.6546 8.7839 125.7467 54.4384 33.4626 174.4015 40 V 4.8658 8.5390 123.3877 61.1013 34.5327 174.6577 41 I 4.6102 8.6003 126.5012 59.6712 40.7127 174.1799 42 I 4.7193 8.4399 127.6487 59.9634 39.1633 175.2402 43 T 4.5074 8.6672 122.9878 61.7714 71.3432 173.1486 44 E 4.8209 8.8295 126.2045 55.9525 31.0470 175.8344 45 M 4.8647 8.8469 122.4493 53.2555 35.3477 175.3626 46 A 4.7378 8.4164 124.0911 51.0068 19.4729 178.6813 47 K 3.8871 9.4547 120.9745 59.1646 32.3657 178.8274 48 G 4.1647 8.0119 105.2339 45.6684 0.0000 173.4805 49 H 4.9416 8.8442 115.1567 54.9837 29.7160 173.5033 50 F 5.1045 8.1804 122.7028 56.2618 41.4219 173.6336 51 G 4.1452 8.3912 116.6770 43.6077 0.0000 172.6239 52 I 4.0053 8.1996 123.9295 60.0688 39.3587 175.9955 53 G 3.8905 9.3226 113.0316 46.0796 0.0000 173.2993 54 G 3.9868 8.3408 108.7233 44.9401 0.0000 174.2527 55 E 4.4728 7.5958 118.9925 54.7187 31.0447 175.8711 56 L 4.4754 8.0999 120.7718 54.3572 42.5243 178.2944 57 A 4.0483 8.8657 125.7898 55.3350 18.5668 179.6363 58 S 4.2876 7.9406 110.2517 60.1580 63.3262 174.4974 59 K 4.1731 7.6817 124.3135 56.6713 32.3442 175.6251 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 2.09 2.03 0.00 3.50 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 2.01 2.12 0.00 2 I 8.28 4.69 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 1.27 0.71 0.91 0.00 0.00 3 A 9.17 4.75 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.71 4.87 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.66 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 5 I 8.61 4.46 1.84 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 1.22 0.57 0.89 0.00 0.00 6 H 8.82 5.25 0.00 2.89 3.10 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.46 4.60 1.81 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 1.17 1.28 0.86 0.00 0.00 8 L 8.33 4.64 0.00 1.52 1.62 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.17 4.00 0.00 2.00 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 0.00 2.28 2.27 0.00 10 G 8.74 3.42 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 0.00 11 R 7.50 4.33 0.00 1.80 1.98 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.46 4.56 0.00 4.21 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 13 D 8.45 4.36 0.00 2.78 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 14 E 8.08 4.01 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.91 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.09 4.09 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.23 3.98 0.00 2.19 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 0.00 2.30 2.34 0.00 18 T 8.03 3.83 4.46 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 1.21 0.00 0.00 19 L 7.80 3.92 0.00 1.86 1.85 0.91 1.14 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 I 7.82 3.71 2.00 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 1.39 0.66 0.90 0.00 0.00 21 R 7.74 3.90 0.00 1.86 2.14 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.56 3.89 0.00 1.96 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 2.49 2.47 0.00 23 V 7.93 3.60 2.20 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 1.03 0.00 0.00 0.92 0.00 0.00 24 S 7.86 4.17 0.00 4.17 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.26 3.98 0.00 2.18 1.98 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 2.32 2.32 0.00 26 A 8.11 4.01 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 27 I 7.72 3.65 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 1.41 0.75 0.91 0.00 0.00 28 S 7.86 4.17 0.00 4.04 4.01 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 0.00 0.00 0.00 29 R 8.39 3.99 0.00 2.05 2.29 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.00 4.28 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.54 0.00 1.60 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.49 4.33 0.00 2.83 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 33 A 7.74 4.72 1.24 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.88 3.93 0.00 1.74 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.91 4.02 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 37 S 8.04 4.42 0.00 3.96 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 38 V 7.46 4.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 39 R 8.78 4.65 0.00 1.75 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 40 V 8.54 4.87 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.60 4.61 1.84 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 1.21 0.56 0.87 0.00 0.00 42 I 8.44 4.72 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.67 4.51 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 44 E 8.83 4.82 0.00 1.83 1.84 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 2.25 2.30 0.00 45 M 8.85 4.86 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 46 A 8.42 4.74 1.05 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 0.00 0.00 47 K 9.45 3.89 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.55 7.81 48 G 8.01 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.84 4.94 0.00 3.36 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.18 5.10 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.15 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 0.00 0.00 0.00 52 I 8.20 4.01 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.35 0.82 0.00 0.00 53 G 9.32 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.34 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 55 E 7.60 4.47 0.00 1.90 1.83 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 2.24 2.38 0.00 56 L 8.10 4.48 0.00 1.75 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.87 4.05 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.29 0.00 3.95 4.15 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 59 K 7.68 4.17 0.00 1.81 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81