NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2916 8.2914 120.1663 56.2885 31.4125 174.2368 5 G 4.0938 8.3598 110.9850 44.0583 0.0000 169.3616 6 Y 5.2349 9.7421 120.9979 56.6425 40.7872 173.1314 7 Q 5.2311 8.7232 121.5960 54.4898 32.0007 174.3354 8 Y 5.3560 9.1358 119.6969 56.2745 42.9847 174.2415 9 R 5.2057 8.9817 120.0752 54.2844 33.9600 174.2793 10 A 4.4223 8.7456 128.0607 52.4869 18.9164 178.0327 11 L 4.0067 8.6317 121.9788 55.9148 42.9043 176.4219 12 Y 5.0468 7.4828 113.2939 55.8268 42.2742 175.0631 13 D 4.8896 8.9727 120.9559 54.5700 41.9734 175.3213 14 Y 4.7693 9.0368 126.8886 56.2786 41.6446 174.7590 15 K 4.5968 7.9693 130.1096 52.9319 33.0775 173.7378 16 K 3.8353 8.4537 124.7221 56.3129 32.3691 174.6513 17 E 4.4366 8.1878 117.0327 57.9650 32.7808 177.2498 18 R 4.1389 7.6241 116.4614 55.8674 31.2070 177.6971 19 E 3.9875 8.6146 120.1593 58.9855 29.8443 177.4760 20 E 4.3158 7.9845 116.3621 56.8965 30.1276 175.5654 21 D 5.5719 7.6977 119.2323 54.0064 42.0729 175.0925 22 I 4.8604 8.3859 111.8770 59.4473 41.0461 174.5937 23 D 4.8726 8.6987 122.8276 53.8840 41.7811 175.8640 24 L 4.7230 8.6208 123.1333 53.4121 44.3388 175.2299 25 H 5.3347 8.6485 119.1286 53.3063 32.4524 173.3157 26 L 3.9313 8.7888 123.4752 57.2681 42.2019 176.8801 27 G 4.0467 8.7810 114.0854 45.2769 0.0000 173.6169 28 D 4.4341 7.9970 119.3960 55.2381 42.1446 175.8864 29 I 4.9501 8.5437 123.1133 59.7522 39.5006 174.7867 30 L 5.2443 8.8129 125.5754 53.2421 45.9778 175.4661 31 T 5.2787 8.9600 118.5049 61.8583 71.8143 173.2824 32 V 4.8721 9.3705 125.7207 60.8970 34.7161 174.3992 33 N 4.7530 8.9224 126.4815 53.0182 39.8846 175.2766 34 K 4.1824 8.5820 126.3108 59.9542 32.0859 179.2613 35 G 3.7136 8.0247 104.4053 47.6674 0.0000 175.8027 36 S 4.2070 7.9891 116.7291 61.6958 63.1977 176.5385 37 L 4.4054 8.0317 121.0818 57.6200 41.5407 179.2833 38 V 3.6611 8.0040 118.0544 66.1120 31.2871 177.6372 39 A 4.2537 7.9865 115.4514 52.9081 18.0203 177.5107 40 L 4.3702 7.6991 117.0915 54.2789 42.9437 176.5294 41 G 3.5745 8.2928 106.8556 47.0614 0.0000 174.7670 42 F 5.0356 7.8936 115.0035 55.7898 38.4358 174.9008 43 S 4.5062 7.6270 116.9368 58.1490 65.0199 174.8479 44 D 4.6891 8.6998 117.9381 53.7866 37.7298 174.9362 45 G 4.0891 7.9759 106.5284 46.9118 0.0000 176.3169 46 Q 3.8992 8.0313 121.0308 58.0208 28.7322 177.5524 47 E 3.8509 7.9660 118.2711 59.0606 28.8297 178.3419 48 A 3.6664 7.1186 119.0224 51.8633 20.5426 177.5749 49 R 4.5472 7.8069 117.1537 52.9968 30.5560 174.1948 50 P 4.0550 0.0000 0.0000 65.2412 31.8222 179.4768 51 E 4.1413 8.0474 115.8033 58.7846 29.4118 177.5170 52 E 4.1570 8.0835 117.6247 57.5381 29.7674 177.2265 53 I 3.8844 7.9317 119.4987 60.6048 37.8760 175.5337 54 G 3.9353 7.7291 114.5845 43.4608 0.0000 171.9951 55 W 5.0625 7.7478 119.1870 53.8829 33.0950 174.7136 56 L 4.7184 8.5515 122.8423 52.7127 45.3988 174.9454 57 N 5.3438 8.3507 118.6674 52.4150 41.7124 173.4987 58 G 4.4037 8.8898 112.3557 46.2525 0.0000 169.8812 59 Y 5.3096 8.8790 121.6661 55.8332 41.1860 175.4730 60 N 4.4845 8.8600 126.6113 52.7148 38.4415 174.7867 61 E 3.6821 8.5747 127.0699 59.4539 29.6775 179.0869 62 T 4.1098 7.9830 115.6140 65.6745 68.9543 175.9420 63 T 4.1165 7.9444 109.2353 61.5759 69.7442 175.7535 64 G 3.9624 8.4319 109.9952 44.8199 0.0000 172.6316 65 E 4.8094 7.6919 118.4319 54.2785 32.1933 174.6766 66 R 5.2024 9.0850 119.2801 53.9062 33.5351 175.5868 67 G 4.0227 7.6879 108.7953 46.3432 0.0000 171.1029 68 D 5.8500 8.2321 119.0831 53.3626 42.8595 175.8999 69 F 5.1071 7.9176 113.4914 55.3232 41.3640 171.3710 70 P 3.7696 0.0000 0.0000 61.9458 31.6710 178.0512 71 G 3.4505 8.5659 113.6567 48.2118 0.0000 175.0676 72 T 4.2685 7.6580 107.8470 62.8033 69.2981 174.3578 73 Y 4.6613 8.0260 119.2978 58.2686 39.5549 175.1482 74 V 5.1558 7.4655 110.5369 59.3885 35.8664 174.6081 75 E 4.6845 8.7914 121.1286 54.7963 32.7579 173.7049 76 Y 4.6829 9.0928 129.3229 57.8397 39.2024 175.1352 77 I 4.0575 8.3037 118.6285 60.0149 38.8623 175.3652 78 G 3.4105 5.3800 109.7791 44.4089 0.0000 172.3718 79 R 5.0071 7.6570 118.8988 54.9026 32.7731 175.2182 80 K 3.9848 8.4017 116.6676 57.7710 32.8798 174.7072 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 4 E 8.29 4.29 0.00 1.84 1.77 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 2.24 2.29 0.00 5 G 8.36 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.74 5.23 0.00 3.06 2.89 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 7 Q 8.72 5.23 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 8 Y 9.14 5.36 0.00 2.91 2.90 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 9 R 8.98 5.21 0.00 1.81 1.69 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 10 A 8.75 4.42 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 11 L 8.63 4.01 0.00 0.31 0.65 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.48 5.05 0.00 2.96 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 13 D 8.97 4.89 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.04 4.77 0.00 2.55 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.60 0.00 1.57 1.58 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 0.99 7.81 16 K 8.45 3.84 0.00 1.89 1.94 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.44 7.81 17 E 8.19 4.44 0.00 2.22 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 2.26 2.23 0.00 18 R 7.62 4.14 0.00 1.97 1.78 0.00 2.85 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 19 E 8.61 3.99 0.00 1.91 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 2.30 2.33 0.00 20 E 7.98 4.32 0.00 2.07 2.15 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 2.34 2.39 0.00 21 D 7.70 5.57 0.00 2.82 2.97 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 22 I 8.39 4.86 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 1.04 0.00 0.00 23 D 8.70 4.87 0.00 2.55 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.72 0.00 1.69 1.54 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.65 5.33 0.00 3.20 3.18 0.00 5.84 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 26 L 8.79 3.93 0.00 1.59 1.64 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.78 4.05 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 0.00 28 D 8.00 4.43 0.00 2.76 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 29 I 8.54 4.95 1.83 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 1.19 0.90 0.89 0.00 0.00 30 L 8.81 5.24 0.00 1.61 1.53 0.68 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.96 5.28 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 32 V 9.37 4.87 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 1.15 0.00 0.00 1.29 0.00 0.00 33 N 8.92 4.75 0.00 2.85 2.74 0.00 0.00 6.83 6.29 0.00 0.00 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 K 8.58 4.18 0.00 1.73 1.78 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.68 7.81 35 G 8.02 3.71 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 0.00 0.00 0.00 36 S 7.99 4.21 0.00 4.10 4.03 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 0.00 0.00 0.00 37 L 8.03 4.41 0.00 2.05 1.90 1.12 0.81 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 38 V 8.00 3.66 2.27 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 0.99 0.00 0.00 1.05 0.00 0.00 39 A 7.99 4.25 1.35 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 0.00 0.00 0.00 40 L 7.70 4.37 0.00 1.85 1.39 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.29 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.89 5.04 0.00 3.28 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 43 S 7.63 4.51 0.00 4.01 3.93 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 0.00 0.00 0.00 44 D 8.70 4.69 0.00 3.05 3.02 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 45 G 7.98 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.03 3.90 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 47 E 7.97 3.85 0.00 1.27 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 48 A 7.12 3.67 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 49 R 7.81 4.55 0.00 1.69 1.75 0.00 3.10 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 50 P 0.00 4.06 0.00 2.26 2.10 0.00 3.81 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 51 E 8.05 4.14 0.00 2.03 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 0.00 2.23 2.25 0.00 52 E 8.08 4.16 0.00 1.94 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 2.34 2.35 0.00 53 I 7.93 3.88 1.72 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.79 0.00 0.00 54 G 7.73 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 0.00 0.00 0.00 55 W 7.75 5.06 0.00 3.06 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 56 L 8.55 4.72 0.00 0.27 0.85 0.42 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.35 5.34 0.00 2.85 2.70 0.00 0.00 6.78 7.98 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 58 G 8.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 5.31 0.00 3.07 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 60 N 8.86 4.48 0.00 2.63 2.50 0.00 0.00 6.77 7.56 0.00 0.00 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 E 8.57 3.68 0.00 1.93 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 2.34 2.48 0.00 62 T 7.98 4.11 4.28 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 1.19 0.00 0.00 63 T 7.94 4.12 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 1.29 0.00 0.00 64 G 8.43 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 65 E 7.69 4.81 0.00 2.05 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 2.35 2.29 0.00 66 R 9.08 5.20 0.00 1.96 1.88 0.00 3.45 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 67 G 7.69 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 68 D 8.23 5.85 0.00 2.83 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 69 F 7.92 5.11 0.00 2.95 3.11 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 0.00 0.00 0.00 0.00 70 P 0.00 3.77 0.00 1.78 1.05 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 71 G 8.57 3.45 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 0.00 0.00 0.00 0.00 72 T 7.66 4.27 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 1.11 0.00 0.00 73 Y 8.03 4.66 0.00 3.10 3.09 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 0.00 0.00 0.00 0.00 74 V 7.47 5.16 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 0.69 0.00 0.00 0.93 0.00 0.00 75 E 8.79 4.68 0.00 1.98 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 2.22 2.27 0.00 76 Y 9.09 4.68 0.00 3.04 2.90 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 77 I 8.30 4.06 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.91 0.00 0.00 78 G 5.38 3.41 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 0.00 79 R 7.66 5.01 0.00 2.01 2.08 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 80 K 8.40 3.98 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.24 7.81