NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4015 8.0732 119.5290 55.5273 34.9924 177.3190 2 S 4.1715 8.1981 117.0691 60.5817 63.2433 174.1549 3 P 4.3272 0.0000 0.0000 65.9116 31.5215 178.1985 4 E 3.9169 8.0775 116.3725 59.3815 29.2350 178.9571 5 E 3.8990 8.4624 118.8708 59.4631 29.5759 179.0631 6 L 4.1473 8.2921 119.2135 57.9874 41.7658 179.5078 7 K 3.6193 8.5372 119.4677 59.4565 31.7740 178.6138 8 G 3.7733 8.4123 106.2009 48.2121 0.0000 175.5649 9 I 3.3653 7.6609 122.4826 63.6018 37.0256 178.1956 10 F 3.9539 8.4892 121.9360 61.3646 39.1558 176.7341 11 E 4.0696 8.6195 118.4803 59.6046 29.1059 179.6295 12 K 3.9863 7.2890 116.2222 59.7533 32.4551 178.8387 13 Y 4.2957 8.2264 116.7481 61.1730 37.8473 178.2159 14 A 3.8868 8.4819 121.7602 55.1508 18.2814 179.1956 15 A 3.9581 8.2536 119.2988 55.5838 18.0890 179.8843 16 K 3.8846 7.8903 115.8809 59.3954 32.1234 177.6895 17 E 4.2800 7.9034 116.5706 56.2539 28.7745 176.4497 18 G 3.8753 7.6674 111.0880 46.2867 0.0000 173.8643 19 D 4.5179 7.5915 120.8337 51.9948 41.4585 175.7526 20 P 4.3947 0.0000 0.0000 65.1358 31.5929 177.0914 21 N 4.7608 9.0253 116.9827 54.7618 38.9615 174.2743 22 Q 5.1485 8.2633 117.6967 54.0019 31.1548 174.7442 23 L 4.7682 9.0403 125.0158 53.2670 46.3103 174.6627 24 S 4.9516 8.0491 114.2040 57.1800 67.1906 176.6578 25 K 4.4305 9.2050 122.9722 59.5235 30.6934 178.3846 26 E 3.9225 8.5588 118.3297 59.7841 29.2338 179.4576 27 E 3.9468 8.0181 117.4923 59.0880 29.7999 178.5099 28 L 3.6272 7.8890 120.8664 58.3023 41.9467 179.1278 29 K 4.1088 8.4554 118.4090 59.5005 31.9660 179.0028 30 L 3.9748 7.4030 119.6107 58.1027 41.8420 178.5713 31 L 4.0117 8.2178 119.2007 58.2882 42.2847 178.6843 32 L 4.2332 8.5859 118.9526 58.1618 41.6142 179.2928 33 Q 4.0456 8.4471 118.0929 59.5998 28.6908 179.2753 34 T 3.9287 8.2498 116.6418 67.1136 68.3671 176.1647 35 E 4.1937 8.5933 119.8863 59.5087 29.3728 178.2796 36 G 3.7434 8.6190 106.5634 46.9563 0.0000 173.2849 37 P 4.3467 0.0000 0.0000 65.0941 31.8662 178.7120 38 S 4.3887 8.0003 112.7347 60.8850 63.0899 175.2893 39 L 4.6657 7.7623 115.8263 53.1860 44.2217 176.0890 40 L 3.8041 8.3689 118.0816 55.7423 39.3906 174.7426 41 K 4.6324 7.8448 112.7860 56.1556 33.2339 175.9861 42 G 3.8387 7.8617 103.7719 46.2285 0.0000 175.3228 43 M 4.9026 8.3474 120.8615 53.4606 32.3578 175.3800 44 S 4.7156 7.3132 124.9424 56.1693 65.1929 176.7080 45 T 3.8784 9.2849 109.7181 65.3801 67.6082 174.3938 46 L 4.0626 8.1587 121.3752 58.1212 41.4993 179.2874 47 D 4.5445 8.1000 117.6041 57.3566 40.9701 178.5179 48 E 3.9927 8.6068 119.5271 59.6725 29.5120 179.5185 49 L 3.9573 8.3210 119.1051 57.8728 41.6433 179.6967 50 F 3.1549 8.5762 117.9355 60.0457 38.6855 177.6476 51 E 4.0076 8.8925 118.8190 59.3051 29.2257 178.9298 52 E 3.9135 8.1413 118.5711 59.6556 29.6091 179.5001 53 L 3.9050 8.0175 119.1063 57.7479 41.4426 179.1260 54 D 4.3664 8.4286 118.3946 57.3498 40.9487 178.5600 55 K 4.0076 8.2453 118.3428 59.4663 32.1118 178.7686 56 N 4.4935 8.2657 116.4802 55.2608 38.9114 176.2952 57 G 4.2703 8.4345 108.4062 45.5106 0.0000 174.6193 58 D 4.2814 8.2354 119.9592 56.8097 41.5390 176.0356 59 G 4.1288 8.0855 111.3268 44.9924 0.0000 171.8151 60 E 4.8899 7.7076 119.1765 54.0363 31.5616 175.4307 61 V 4.4941 9.0197 123.7330 61.2800 34.8726 174.8617 62 S 4.9005 8.8893 124.0234 58.4115 64.0050 175.0162 63 F 3.1677 9.3463 125.6851 61.5532 38.8625 177.4309 64 E 3.7553 8.1655 117.2684 59.3160 29.2678 178.6082 65 E 3.9353 8.1842 117.7709 59.8988 29.5492 178.8771 66 F 4.2760 8.4579 120.3567 61.7451 39.2920 176.7046 67 Q 3.2751 7.8574 118.7642 59.1958 28.7009 179.1087 68 V 3.5068 7.8108 113.3104 64.3901 31.5322 178.2573 69 L 3.9905 8.1764 118.9201 58.1184 41.5749 179.9431 70 V 3.6944 8.0035 112.3342 64.4775 31.4874 178.9590 71 K 3.9592 7.8675 118.4125 59.7764 32.2244 179.3616 72 K 3.9271 8.1195 119.4339 59.2383 32.1194 179.1732 73 I 3.8682 7.8972 112.2586 63.8373 37.5050 178.2695 74 S 4.2756 7.8185 116.7130 61.2908 62.8589 174.6622 75 Q 4.2730 8.0998 123.6595 56.5685 28.6347 175.6827 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 K 8.07 4.40 0.00 1.80 1.84 0.00 2.00 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.37 7.81 2 S 8.20 4.17 0.00 3.91 4.10 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 0.00 0.00 0.00 0.00 3 P 0.00 4.33 0.00 2.17 2.35 0.00 3.60 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 2.12 2.19 0.00 4 E 8.08 3.92 0.00 2.13 1.97 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 2.38 2.39 0.00 5 E 8.46 3.90 0.00 2.04 2.00 0.00 0.00 0.00 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 2.40 0.00 6 L 8.29 4.15 0.00 2.04 2.08 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.54 3.62 0.00 1.32 1.72 0.00 1.37 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.20 0.46 7.81 8 G 8.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.66 3.37 1.78 0.00 0.00 0.81 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 0.61 -0.13 0.00 0.00 10 F 8.49 3.95 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 11 E 8.62 4.07 0.00 2.16 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 2.33 2.51 0.00 12 K 7.29 3.99 0.00 1.94 1.97 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.66 7.81 13 Y 8.23 4.30 0.00 2.80 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 14 A 8.48 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.25 3.96 1.42 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 16 K 7.89 3.88 0.00 1.76 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.54 7.81 17 E 7.90 4.28 0.00 2.15 1.92 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 2.26 2.17 0.00 18 G 7.67 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 0.00 0.00 0.00 19 D 7.59 4.52 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.39 0.00 2.27 2.21 0.00 3.85 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 2.03 2.02 0.00 21 N 9.03 4.76 0.00 2.97 3.02 0.00 0.00 7.12 8.51 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 22 Q 8.26 5.15 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 23 L 9.04 4.77 0.00 0.27 0.95 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.05 4.95 0.00 3.83 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 25 K 9.20 4.43 0.00 1.79 1.93 0.00 1.88 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.65 1.78 7.81 26 E 8.56 3.92 0.00 1.99 1.97 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 2.38 2.47 0.00 27 E 8.02 3.95 0.00 1.97 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 2.26 2.15 0.00 28 L 7.89 3.63 0.00 1.69 1.59 0.39 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.46 4.11 0.00 1.97 1.90 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.75 7.81 30 L 7.40 3.97 0.00 1.81 1.90 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.22 4.01 0.00 1.80 1.94 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.59 4.23 0.00 2.05 1.92 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.45 4.05 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 34 T 8.25 3.93 4.47 0.00 0.00 0.00 0.00 0.00 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 35 E 8.59 4.19 0.00 2.22 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 2.35 2.36 0.00 36 G 8.62 3.74 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 0.00 0.00 0.00 37 P 0.00 4.35 0.00 2.05 2.18 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 38 S 8.00 4.39 0.00 3.87 3.92 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 39 L 7.76 4.67 0.00 1.53 1.61 1.04 1.02 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 40 L 8.37 3.80 0.00 1.73 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.84 4.63 0.00 1.80 1.70 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 42 G 7.86 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 43 M 8.35 4.90 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 44 S 7.31 4.72 0.00 3.99 3.04 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 0.00 0.00 0.00 0.00 45 T 9.28 3.88 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 46 L 8.16 4.06 0.00 1.79 1.81 0.98 1.06 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 47 D 8.10 4.54 0.00 2.76 2.98 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 48 E 8.61 3.99 0.00 2.18 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 2.36 2.53 0.00 49 L 8.32 3.96 0.00 1.76 1.57 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.58 3.15 0.00 3.47 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.01 0.00 2.16 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 2.38 2.55 0.00 52 E 8.14 3.91 0.00 2.11 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 2.51 0.00 53 L 8.02 3.91 0.00 1.40 1.54 -0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.43 4.37 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.25 4.01 0.00 1.87 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 56 N 8.27 4.49 0.00 2.78 2.86 0.00 0.00 7.60 7.19 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 57 G 8.43 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.28 0.00 2.63 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 59 G 8.09 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 60 E 7.71 4.89 0.00 1.89 1.91 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 2.25 2.30 0.00 61 V 9.02 4.49 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 1.39 0.00 0.00 1.15 0.00 0.00 62 S 8.89 4.90 0.00 4.11 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 63 F 9.35 3.17 0.00 2.18 2.84 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 64 E 8.17 3.76 0.00 2.10 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 2.44 2.53 0.00 65 E 8.18 3.94 0.00 2.27 2.12 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 2.46 2.49 0.00 66 F 8.46 4.28 0.00 2.92 3.04 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 0.00 0.00 0.00 0.00 67 Q 7.86 3.28 0.00 0.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 68 V 7.81 3.51 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 0.76 0.00 0.00 0.98 0.00 0.00 69 L 8.18 3.99 0.00 2.14 1.90 1.13 0.84 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 70 V 8.00 3.69 1.92 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 0.67 0.00 0.00 0.49 0.00 0.00 71 K 7.87 3.96 0.00 1.94 1.97 0.00 1.26 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.42 7.81 72 K 8.12 3.93 0.00 1.92 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.52 7.81 73 I 7.90 3.87 1.87 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 1.55 0.67 0.95 0.00 0.00 74 S 7.82 4.28 0.00 3.99 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 75 Q 8.10 4.27 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.52 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00