NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3181 8.2649 123.5826 52.0793 20.6835 177.1822 3 E 4.0939 7.8344 115.7502 55.7971 30.8618 174.1846 4 I 4.3263 9.1329 126.4749 60.6641 38.6732 175.1619 5 K 4.4017 9.1696 127.2042 55.2258 34.6643 174.9683 6 H 4.6681 8.3508 122.7747 54.6138 32.1103 172.4834 7 Y 5.3413 8.6215 123.8982 56.2208 40.9298 174.4972 8 Q 4.8493 8.9544 124.4791 54.2403 32.3756 173.9538 9 F 5.2903 9.2825 124.5912 55.7204 42.7190 173.9432 10 N 5.1670 9.2241 122.6304 52.4829 39.6926 173.4404 11 V 4.8021 8.1817 126.5977 60.5461 34.0934 175.1737 12 V 3.7512 8.8118 128.4559 63.6051 31.8468 175.5259 13 M 4.7400 8.5049 127.6059 54.3429 35.2297 174.9370 14 T 4.4277 8.7316 120.3361 63.7469 70.7838 173.2973 15 C 4.9774 7.5722 114.5178 55.6834 32.8755 174.0044 16 S 4.6575 7.9317 113.9735 58.8975 62.8079 176.2561 17 G 3.4952 7.9119 110.2048 48.2345 0.0000 175.0796 18 C 3.9007 8.1780 119.8494 62.7449 28.0157 176.6112 19 S 4.2637 7.8758 115.0728 61.3362 62.9634 176.4653 20 G 3.6596 8.1819 109.2730 47.5133 0.0000 175.4856 21 A 4.0179 8.4119 123.3510 54.7621 18.3848 179.8731 22 V 3.4430 7.5602 116.6651 66.2012 31.5815 177.5775 23 N 4.2641 8.3297 116.9615 56.7867 38.8111 176.6836 24 K 3.9481 8.0033 120.6905 59.5945 32.0998 179.3444 25 V 3.6801 7.3904 111.6945 64.1141 31.6212 178.4067 26 L 4.1787 8.0091 119.2109 58.0044 41.6802 179.3729 27 T 3.8642 8.1282 109.9035 64.9480 68.2479 176.1605 28 K 3.9229 7.7456 119.7774 58.8946 32.4844 177.9446 29 L 4.4996 7.9026 117.4528 53.6564 42.0148 176.2769 30 E 4.3744 7.6149 119.8605 56.0335 29.8282 175.1022 31 P 4.6531 0.0000 0.0000 63.1191 31.9787 176.1180 32 D 4.4968 8.0883 118.8913 55.2850 41.1411 175.6660 33 V 4.5921 7.6278 119.8840 61.1771 32.6851 175.0690 34 S 4.5911 8.6373 121.9570 58.9703 64.0964 174.2870 35 K 4.3131 7.5680 118.8043 55.7453 35.4449 173.4066 36 I 4.9430 8.7227 127.8906 59.8308 39.7608 174.7199 37 D 4.9197 9.4394 128.5692 52.7694 42.9926 175.2048 38 I 4.8021 8.3853 124.6702 59.5768 39.4500 175.5332 39 S 4.5108 8.9627 122.3768 56.2817 63.4973 174.1214 40 L 3.9843 8.6669 130.5902 58.0478 42.3315 178.7887 41 E 3.9010 8.3355 118.1025 59.1405 29.5565 177.3843 42 K 4.3257 8.4321 115.0229 55.6361 32.5659 176.4217 43 Q 3.4866 7.7740 117.6892 57.2532 27.0690 172.9822 44 L 5.3565 7.7166 114.8536 52.9602 45.8040 176.6752 45 V 4.7806 8.9345 121.5466 61.4900 34.6039 173.7108 46 D 5.5533 9.4272 128.7356 52.6012 43.5163 175.6467 47 V 4.9710 8.8330 122.8192 61.3188 35.1635 173.5007 48 Y 5.0112 8.8904 125.4618 56.7297 40.1448 174.6900 49 T 4.9105 8.4240 117.2852 61.7245 71.0871 173.7078 50 T 4.6439 8.2551 115.2787 62.1574 69.7574 175.5776 51 L 4.1673 7.7201 122.1252 53.8723 42.6038 175.7855 52 P 4.7297 0.0000 0.0000 61.7205 33.3130 176.8858 53 Y 3.0624 8.6846 121.6208 61.0102 38.4441 178.5231 54 D 4.2231 8.1902 118.0419 57.1878 41.4325 177.7131 55 F 3.9199 8.2177 120.7298 61.2071 39.5003 176.9792 56 I 3.6757 7.7894 119.0040 64.2732 36.9705 177.8616 57 L 3.3528 7.8863 121.3945 58.2294 41.7328 178.7638 58 E 3.7888 8.1558 119.1498 59.0216 29.2756 178.8481 59 K 3.7526 7.3595 117.6357 59.3908 32.3810 178.9288 60 I 3.6654 7.4083 119.9457 64.4013 36.9183 178.7040 61 K 4.0179 7.9060 118.7950 58.8138 31.6111 179.2266 62 K 3.9941 7.5367 117.7534 58.6313 31.9360 178.6161 63 T 4.0574 7.6329 109.7345 62.7884 69.0079 175.7980 64 G 3.9453 8.1561 109.9691 44.9558 0.0000 173.9046 65 K 4.0978 7.4238 119.5566 55.8122 32.8126 176.4252 66 E 4.0035 8.7039 124.6860 56.3837 30.8569 175.4921 67 V 4.5457 8.2792 127.3564 61.6816 31.5182 175.4929 68 R 4.3018 9.1254 129.6147 59.3258 30.5995 177.2055 69 S 4.6975 7.9382 110.7298 57.7807 65.9952 174.2434 70 G 5.1091 8.8354 106.7007 44.5830 0.0000 171.7003 71 K 4.4780 8.7816 118.8713 55.4338 36.5208 174.3187 72 Q 4.9889 8.2222 122.6826 54.8171 30.3328 175.2636 73 L 4.2526 8.7534 125.9707 54.9398 41.4005 176.6794 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 2 A 8.26 4.32 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 3 E 7.83 4.09 0.00 2.00 1.88 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 2.40 2.36 0.00 4 I 9.13 4.33 1.90 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 1.36 0.50 1.03 0.00 0.00 5 K 9.17 4.40 0.00 1.54 0.93 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.39 7.81 6 H 8.35 4.67 0.00 2.85 2.97 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.62 5.34 0.00 2.92 2.46 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 0.00 8 Q 8.95 4.85 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 9 F 9.28 5.29 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 10 N 9.22 5.17 0.00 2.80 2.77 0.00 0.00 6.39 7.50 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 11 V 8.18 4.80 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 0.84 0.00 0.00 0.98 0.00 0.00 12 V 8.81 3.75 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 1.01 0.00 0.00 13 M 8.50 4.74 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 14 T 8.73 4.43 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 15 C 7.57 4.98 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 16 S 7.93 4.66 0.00 4.07 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 17 G 7.91 3.50 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 0.00 0.00 0.00 18 C 8.18 3.90 0.00 3.16 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 19 S 7.88 4.26 0.00 4.06 4.12 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 20 G 8.18 3.66 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 0.00 0.00 0.00 21 A 8.41 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.44 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 0.94 0.00 0.00 0.91 0.00 0.00 23 N 8.33 4.26 0.00 2.98 2.99 0.00 0.00 6.93 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 24 K 8.00 3.95 0.00 2.02 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 V 7.39 3.68 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 0.81 0.00 0.00 1.02 0.00 0.00 26 L 8.01 4.18 0.00 1.73 1.75 0.94 0.61 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 27 T 8.13 3.86 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 1.28 0.00 0.00 28 K 7.75 3.92 0.00 2.02 1.97 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.69 7.81 29 L 7.90 4.50 0.00 1.90 1.77 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.61 4.37 0.00 2.02 1.90 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 2.54 2.28 0.00 31 P 0.00 4.65 0.00 2.17 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 32 D 8.09 4.50 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.63 4.59 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 0.97 0.00 0.00 1.10 0.00 0.00 34 S 8.64 4.59 0.00 3.90 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 35 K 7.57 4.31 0.00 1.64 1.54 0.00 1.25 0.00 0.00 1.35 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.32 7.81 36 I 8.72 4.94 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.97 0.00 0.00 37 D 9.44 4.92 0.00 2.67 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 38 I 8.39 4.80 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.94 0.00 0.00 39 S 8.96 4.51 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.98 0.00 1.77 1.67 1.04 0.88 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 41 E 8.34 3.90 0.00 1.96 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 2.41 0.00 42 K 8.43 4.33 0.00 1.77 1.84 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.42 7.81 43 Q 7.77 3.49 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 44 L 7.72 5.36 0.00 1.63 1.58 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.93 4.78 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 1.16 0.00 0.00 0.99 0.00 0.00 46 D 9.43 5.55 0.00 2.84 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 47 V 8.83 4.97 2.37 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 1.16 0.00 0.00 1.19 0.00 0.00 48 Y 8.89 5.01 0.00 2.94 2.83 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 49 T 8.42 4.91 4.33 0.00 0.00 0.00 0.00 0.00 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 50 T 8.26 4.64 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 1.26 0.00 0.00 51 L 7.72 4.17 0.00 1.82 1.63 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.73 0.00 2.28 2.07 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 53 Y 8.68 3.06 0.00 2.49 2.83 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 54 D 8.19 4.22 0.00 2.94 2.72 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 0.00 0.00 0.00 55 F 8.22 3.92 0.00 3.25 3.21 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 56 I 7.79 3.68 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.33 0.98 0.00 0.00 57 L 7.89 3.35 0.00 1.10 1.56 0.87 0.92 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 58 E 8.16 3.79 0.00 2.11 1.64 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 2.18 2.25 0.00 59 K 7.36 3.75 0.00 1.76 1.72 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.67 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.00 1.40 7.81 60 I 7.41 3.67 1.55 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 0.68 0.00 0.00 61 K 7.91 4.02 0.00 1.82 1.78 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 62 K 7.54 3.99 0.00 1.75 1.80 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.47 7.81 63 T 7.63 4.06 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 64 G 8.16 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 0.00 0.00 0.00 65 K 7.42 4.10 0.00 1.75 1.89 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.49 7.81 66 E 8.70 4.00 0.00 2.05 1.82 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 2.38 2.31 0.00 67 V 8.28 4.55 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 1.09 0.00 0.00 0.83 0.00 0.00 68 R 9.13 4.30 0.00 1.83 2.00 0.00 3.42 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 69 S 7.94 4.70 0.00 3.86 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 70 G 8.84 5.11 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 0.00 0.00 0.00 71 K 8.78 4.48 0.00 1.64 1.74 0.00 1.23 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.27 7.81 72 Q 8.22 4.99 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 73 L 8.75 4.25 0.00 1.19 1.47 0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00