NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3329 8.2493 123.5840 51.8549 20.3524 176.7366 3 E 4.1781 8.0417 117.6616 57.1568 31.6231 173.7656 4 I 4.5718 9.0455 123.8577 60.6473 38.6431 176.5976 5 K 4.4091 9.3106 127.6970 55.0818 34.8388 174.8771 6 H 4.6443 8.2152 122.6000 54.7258 31.7377 173.1519 7 Y 5.3089 8.3618 122.7434 56.5673 42.1745 174.4591 8 Q 5.1674 8.3866 121.0385 55.2575 33.0141 173.2277 9 F 5.1565 9.7001 124.8475 55.6641 43.1849 174.2746 10 N 5.0710 8.9222 121.4470 52.8460 39.3790 173.5746 11 V 4.6224 8.1272 126.8284 60.7598 33.4485 176.2237 12 V 3.9065 8.3997 128.5321 63.5156 29.8614 173.4617 13 M 4.6677 8.3179 124.2962 53.4774 34.0740 175.7980 14 T 4.3941 8.6524 120.0793 64.2035 70.6382 173.4232 15 C 4.9850 7.4785 114.4029 55.8095 32.8316 173.9239 16 S 4.5020 7.9977 114.1490 59.7396 62.7191 176.3281 17 G 3.4980 7.9561 109.8911 48.1213 0.0000 175.0150 18 C 4.0007 8.1657 119.7896 62.7146 28.0596 176.4951 19 S 4.3051 7.9825 115.3988 60.8825 62.6574 176.7224 20 G 3.6274 8.1486 109.6464 47.6053 0.0000 175.5379 21 A 3.9709 8.3943 123.7450 54.8409 18.2681 180.0244 22 V 3.4370 7.5174 116.5181 65.9967 31.6918 177.4479 23 N 4.1963 8.3523 117.3059 56.8016 38.6009 176.5299 24 K 4.1305 8.1775 122.1372 59.2541 32.1278 179.2255 25 V 3.6388 7.3490 110.7049 64.2910 31.6715 178.2326 26 L 4.1891 7.8077 118.6716 57.4691 41.2517 179.3422 27 T 4.1810 7.9917 109.8208 64.3195 68.6007 176.5358 28 K 4.1730 7.7983 119.7151 57.9253 32.3304 177.3323 29 L 4.6398 7.5931 118.6529 54.2598 42.2647 176.3227 30 E 4.7674 7.8988 118.4647 55.3379 29.8068 175.1251 31 P 4.7514 0.0000 0.0000 63.2336 32.3255 176.7955 32 D 4.3961 8.1452 120.5396 57.5762 40.8892 176.5158 33 V 4.2013 8.0933 121.1975 63.1524 31.2686 175.9583 34 S 4.6716 8.7899 122.6396 58.8421 64.2850 174.2799 35 K 4.5750 7.7302 120.9986 55.4195 35.4970 174.1103 36 I 5.2345 8.3678 126.6411 59.7458 40.5903 174.2930 37 D 5.0966 9.5783 126.5880 52.5711 44.2165 175.0196 38 I 4.8861 8.4568 122.5298 59.6374 41.3347 175.2721 39 S 4.4104 9.0942 119.7956 56.3028 64.0721 174.1217 40 L 3.9458 8.7635 130.0258 58.0448 42.1063 178.2641 41 E 4.1036 8.0385 117.2868 59.4724 29.5808 178.3953 42 K 4.0823 8.4062 117.5244 57.3008 32.7769 177.0455 43 Q 3.6395 8.3846 117.8121 57.2818 26.3857 172.8097 44 L 5.3610 7.6756 115.6479 52.9406 46.4366 176.5333 45 V 4.7592 8.9103 122.3792 61.3657 34.1248 173.7890 46 D 5.5112 9.9747 129.3151 52.7478 43.0896 175.4904 47 V 4.8432 8.8975 123.5750 61.2377 34.7363 173.6956 48 Y 4.9358 8.9038 125.1183 56.8021 40.3101 174.6150 49 T 5.6955 8.7337 117.7511 62.3422 71.1735 173.8847 50 T 4.6203 8.5558 114.4224 62.0062 69.6920 175.2279 51 L 4.3185 8.0873 123.0513 53.4793 42.4984 175.6526 52 P 4.5759 0.0000 0.0000 63.0566 33.1881 176.7121 53 Y 2.8223 8.6037 120.5526 60.9742 38.7777 178.5844 54 D 4.3039 8.1648 119.1104 56.9692 41.0188 178.1866 55 F 4.1161 8.2528 120.8695 61.3942 39.2991 177.1069 56 I 3.4124 7.4225 119.2905 64.1421 36.8741 177.7070 57 L 3.5012 7.1791 120.9946 58.6582 41.7660 179.1443 58 E 3.8767 7.8765 117.5935 58.9505 29.1660 179.2605 59 K 3.7126 7.3634 118.0284 59.4382 32.2898 179.0839 60 I 3.6890 7.5138 119.9933 64.3241 36.9660 178.7025 61 K 3.9400 7.9484 119.3508 59.1557 31.6298 179.2926 62 K 3.8073 8.1779 118.5984 59.1631 32.0327 178.4667 63 T 4.1694 7.6797 109.1165 62.4288 69.1453 175.7555 64 G 3.9642 8.0771 109.2973 44.8893 0.0000 173.4949 65 K 4.2298 7.2427 119.1964 55.4203 33.2904 176.1438 66 E 4.1873 8.6025 123.9505 56.0447 30.8402 175.1118 67 V 4.4409 8.3799 126.9143 61.9913 32.5982 174.5277 68 R 4.5164 9.5725 127.9714 57.0050 30.6912 176.9315 69 S 4.8069 7.4442 111.3499 56.6832 67.0945 172.5039 70 G 4.1884 8.1353 101.8999 45.5937 0.0000 173.1431 71 K 4.5931 8.1755 125.6655 54.9240 35.9071 174.9185 72 Q 4.9169 8.1868 122.2197 54.9415 30.2972 175.4816 73 L 4.1272 8.1837 125.2128 55.0840 41.6860 176.6868 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 8.25 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.18 0.00 2.15 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 2.36 2.42 0.00 4 I 9.05 4.57 1.91 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 1.37 0.59 1.00 0.00 0.00 5 K 9.31 4.41 0.00 1.49 1.05 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.51 7.81 6 H 8.22 4.64 0.00 2.91 2.86 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.36 5.31 0.00 3.16 2.56 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 0.00 0.00 0.00 0.00 8 Q 8.39 5.17 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 9 F 9.70 5.16 0.00 2.93 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 8.92 5.07 0.00 2.90 2.88 0.00 0.00 6.72 7.00 0.00 0.00 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 8.13 4.62 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 0.83 0.00 0.00 0.98 0.00 0.00 12 V 8.40 3.91 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 0.80 0.00 0.00 0.94 0.00 0.00 13 M 8.32 4.67 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 14 T 8.65 4.39 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 7.48 4.98 0.00 3.04 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 8.00 4.50 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 7.96 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 8.17 4.00 0.00 3.13 3.01 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 19 S 7.98 4.31 0.00 4.00 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 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.44 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 0.92 0.00 0.00 0.93 0.00 0.00 23 N 8.35 4.20 0.00 2.97 2.97 0.00 0.00 6.91 6.35 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 24 K 8.18 4.13 0.00 1.96 1.93 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.33 7.81 25 V 7.35 3.64 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 0.77 0.00 0.00 0.92 0.00 0.00 26 L 7.81 4.19 0.00 1.80 1.71 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.99 4.18 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 1.35 0.00 0.00 28 K 7.80 4.17 0.00 1.90 1.92 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 29 L 7.59 4.64 0.00 1.88 1.76 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.90 4.77 0.00 1.97 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 2.55 2.36 0.00 31 P 0.00 4.75 0.00 2.19 2.16 0.00 3.79 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 1.97 1.99 0.00 32 D 8.15 4.40 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.09 4.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.06 0.00 0.00 34 S 8.79 4.67 0.00 3.90 3.98 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 35 K 7.73 4.57 0.00 1.60 1.27 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 1.25 7.81 36 I 8.37 5.23 1.91 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 1.41 0.85 0.96 0.00 0.00 37 D 9.58 5.10 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.89 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 1.27 0.64 0.93 0.00 0.00 39 S 9.09 4.41 0.00 3.86 3.73 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 40 L 8.76 3.95 0.00 1.63 1.70 1.00 1.01 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 41 E 8.04 4.10 0.00 1.99 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 2.32 2.40 0.00 42 K 8.41 4.08 0.00 1.75 1.89 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.43 7.81 43 Q 8.38 3.64 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 44 L 7.68 5.36 0.00 1.60 1.57 0.95 0.78 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 45 V 8.91 4.76 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 1.07 0.00 0.00 0.96 0.00 0.00 46 D 9.97 5.51 0.00 2.82 2.77 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 47 V 8.90 4.84 2.41 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 1.20 0.00 0.00 1.08 0.00 0.00 48 Y 8.90 4.94 0.00 3.08 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 8.73 5.70 4.37 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 1.54 0.00 0.00 50 T 8.56 4.62 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 1.29 0.00 0.00 51 L 8.09 4.32 0.00 1.89 1.85 1.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.37 2.26 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 53 Y 8.60 2.82 0.00 2.66 2.87 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 54 D 8.16 4.30 0.00 2.90 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 55 F 8.25 4.12 0.00 3.10 3.23 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 0.00 56 I 7.42 3.41 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 0.75 0.00 0.00 57 L 7.18 3.50 0.00 1.48 1.72 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.88 3.88 0.00 1.94 1.86 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 2.27 2.27 0.00 59 K 7.36 3.71 0.00 1.56 1.63 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.72 1.04 7.81 60 I 7.51 3.69 1.69 0.00 0.00 0.00 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 0.47 0.72 0.00 0.00 61 K 7.95 3.94 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.63 7.81 62 K 8.18 3.81 0.00 1.75 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 63 T 7.68 4.17 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 1.18 0.00 0.00 64 G 8.08 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 K 7.24 4.23 0.00 1.67 1.72 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 66 E 8.60 4.19 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 8.38 4.44 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 1.04 0.00 0.00 0.94 0.00 0.00 68 R 9.57 4.52 0.00 1.83 1.92 0.00 3.19 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 69 S 7.44 4.81 0.00 3.87 3.98 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 70 G 8.14 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 0.00 0.00 0.00 71 K 8.18 4.59 0.00 1.77 1.83 0.00 1.22 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.26 7.81 72 Q 8.19 4.92 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 73 L 8.18 4.13 0.00 1.50 1.44 0.40 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00