NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2644 8.1849 120.6093 54.5779 43.2505 175.5634 3 N 4.7815 8.0331 118.5942 50.7230 40.6548 169.6705 4 V 3.9017 9.3250 124.2558 63.4534 33.4176 174.2130 5 L 5.2163 8.1633 125.6389 53.2677 44.3198 175.3715 6 A 5.0609 8.8610 122.7068 50.2423 23.1079 174.7590 7 K 4.8669 8.9214 122.1451 54.4127 34.7570 175.4417 8 A 4.4640 8.8517 129.7759 52.2594 18.8390 178.1186 9 L 4.0653 9.0602 122.9110 56.1753 42.3750 176.3880 10 Y 4.8999 7.6538 114.4608 56.2141 42.2092 174.5625 11 D 4.8138 8.7603 120.6882 54.6375 42.4073 175.8531 12 N 4.4793 8.6119 119.4521 52.0773 42.0912 173.5009 13 V 4.0163 8.2782 127.1530 61.7903 32.0983 175.4958 14 A 4.2276 8.8727 132.5874 52.2376 18.7979 176.7900 15 E 4.6438 8.8851 119.9676 56.0179 31.2813 176.0978 16 S 4.7446 7.7598 111.9546 55.6758 66.1440 173.4911 17 P 4.3900 0.0000 0.0000 65.4421 31.4905 177.6611 18 D 4.5382 8.1063 117.9976 56.7273 41.7744 176.2955 19 E 5.2682 7.9349 117.2529 54.7317 30.8193 176.2666 20 L 4.6251 8.6118 122.7552 54.2110 43.0601 176.4389 21 S 5.2041 8.8790 118.9063 57.2794 64.5193 173.1279 22 F 4.9735 7.7658 116.3612 56.4709 41.1885 172.5250 23 R 5.1661 9.4652 118.1330 53.6868 33.3974 175.8398 24 K 4.0005 9.2381 123.4600 58.6998 32.4582 176.8254 25 G 4.0420 8.9970 114.9726 45.2015 0.0000 173.6209 26 D 4.5514 8.2286 120.1247 54.6468 42.0542 175.4428 27 I 4.9996 8.2673 122.8529 59.7288 39.3173 174.8033 28 M 4.8669 8.8583 123.6410 53.5513 35.1560 174.5157 29 T 4.5548 8.5984 117.0241 63.1634 70.2359 174.2003 30 V 4.3142 8.6810 127.4328 61.9292 31.4003 175.5228 31 L 4.2791 8.9233 129.8305 57.4088 42.6771 177.8683 32 E 4.5098 7.7775 119.5321 55.2525 32.7581 174.6942 33 Q 3.8239 8.5599 126.2589 56.3623 30.3818 175.1973 34 D 4.8537 9.0150 118.3944 55.5782 38.7323 174.1083 35 T 4.2793 8.0220 112.4896 63.0905 68.1850 173.6532 36 Q 3.6388 9.6782 125.4932 57.0265 26.3157 174.6342 37 G 3.8565 8.1333 103.3980 45.7490 0.0000 174.5102 38 L 4.2271 7.9991 121.1745 53.3519 41.1845 175.7193 39 D 4.3314 8.7853 124.4558 56.4130 41.1010 176.4933 40 G 3.9240 9.9001 115.6829 44.9941 0.0000 171.4217 41 W 5.1246 8.3097 120.3067 54.6364 31.5830 175.0618 42 W 5.5454 9.3845 124.5421 54.7658 32.1357 174.5844 43 L 4.8341 9.1257 127.0237 55.1137 42.6389 175.4098 44 C 5.5179 9.4170 123.5239 58.0007 33.1179 172.8472 45 S 5.2072 9.1311 115.1186 56.5110 65.2141 172.3768 46 L 4.7464 8.7861 128.9199 53.7648 44.7809 176.0269 47 H 4.2060 9.9239 124.5569 57.0514 26.3946 175.7404 48 G 3.9271 8.5851 103.9995 45.3569 0.0000 173.3225 49 R 4.6594 7.9342 120.5292 54.3918 32.4856 174.6160 50 Q 5.0194 8.6421 125.1647 55.1148 30.6946 174.9419 51 G 4.2117 8.6332 108.8763 46.0351 0.0000 171.7515 52 I 5.2158 8.6250 113.8289 59.8075 39.9399 175.2657 53 V 4.9073 9.0443 123.3078 60.6688 35.6224 172.7264 54 P 3.8928 0.0000 0.0000 61.8188 31.7004 177.6474 55 G 2.0000 7.8387 113.8046 47.7481 0.0000 174.4666 56 N 4.4227 7.4973 114.3742 54.0189 37.5514 175.4356 57 R 4.6642 7.8720 118.1154 56.2825 30.7273 175.3175 58 L 5.2520 7.4970 117.5244 52.5842 45.5484 175.8383 59 K 4.5852 8.7349 121.8227 54.4030 34.9191 175.4997 60 I 4.2074 8.6885 128.7372 61.6777 38.2250 175.6242 61 L 4.4086 8.6708 127.4473 52.8653 42.7310 176.5546 62 V 3.6293 8.2833 124.7988 64.1999 31.7959 176.3218 63 G 3.9769 8.7691 114.3610 45.7999 0.0000 172.3764 64 M 4.6343 7.2078 119.5394 53.5488 34.3270 174.7273 65 Y 5.1117 8.3507 119.5149 56.4161 42.8990 173.7835 66 D 4.9502 9.2781 121.7960 52.7085 43.6850 175.6155 67 K 4.3993 8.4048 125.2787 54.1596 34.4224 175.6886 68 K 3.9926 8.7094 128.1243 55.8042 32.7095 174.6813 69 P 4.4371 0.0000 0.0000 63.0540 31.1924 176.0804 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 L 8.18 4.26 0.00 1.24 1.51 0.21 0.63 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 3 N 8.03 4.78 0.00 2.68 2.90 0.00 0.00 6.65 6.80 0.00 0.00 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 V 9.33 3.90 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 0.85 0.00 0.00 0.93 0.00 0.00 5 L 8.16 5.22 0.00 1.49 1.48 0.94 1.13 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 6 A 8.86 5.06 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 7 K 8.92 4.87 0.00 1.77 1.62 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.47 7.81 8 A 8.85 4.46 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.07 0.00 1.36 1.11 0.90 0.57 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 10 Y 7.65 4.90 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.76 4.81 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.61 4.48 0.00 1.74 1.42 0.00 0.00 7.14 7.25 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 13 V 8.28 4.02 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 0.78 0.00 0.00 0.87 0.00 0.00 14 A 8.87 4.23 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 15 E 8.89 4.64 0.00 1.94 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 2.20 2.26 0.00 16 S 7.76 4.74 0.00 3.96 3.87 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 17 P 0.00 4.39 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 18 D 8.11 4.54 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 5.27 0.00 2.06 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 2.43 2.12 0.00 20 L 8.61 4.63 0.00 1.85 1.84 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.88 5.20 0.00 3.77 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 22 F 7.77 4.97 0.00 3.23 3.13 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 23 R 9.47 5.17 0.00 1.81 1.88 0.00 3.19 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 24 K 9.24 4.00 0.00 1.68 1.77 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.35 7.81 25 G 9.00 4.04 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 0.00 0.00 0.00 26 D 8.23 4.55 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 5.00 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 1.36 0.72 0.92 0.00 0.00 28 M 8.86 4.87 0.00 1.89 2.18 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 29 T 8.60 4.55 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 1.23 0.00 0.00 30 V 8.68 4.31 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 0.43 0.00 0.00 1.07 0.00 0.00 31 L 8.92 4.28 0.00 1.72 1.72 0.95 1.14 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 32 E 7.78 4.51 0.00 2.00 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 2.28 2.31 0.00 33 Q 8.56 3.82 0.00 1.75 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 34 D 9.02 4.85 0.00 2.94 2.76 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 35 T 8.02 4.28 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 36 Q 9.68 3.64 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 37 G 8.13 3.86 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 0.00 0.00 0.00 38 L 8.00 4.23 0.00 2.00 1.87 0.82 0.90 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 39 D 8.79 4.33 0.00 2.71 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 40 G 9.90 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 0.00 0.00 0.00 41 W 8.31 5.12 0.00 3.54 3.18 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 0.00 0.00 0.00 0.00 42 W 9.38 5.55 0.00 3.20 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 43 L 9.13 4.83 0.00 1.85 1.62 0.98 0.92 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 44 C 9.42 5.52 0.00 2.93 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 45 S 9.13 5.21 0.00 3.86 3.68 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 46 L 8.79 4.75 0.00 1.71 1.49 0.72 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 H 9.92 4.21 0.00 3.33 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.59 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 0.00 0.00 0.00 49 R 7.93 4.66 0.00 1.93 1.81 0.00 3.12 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 50 Q 8.64 5.02 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 51 G 8.63 4.21 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 0.00 52 I 8.63 5.22 2.14 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.95 0.00 0.00 53 V 9.04 4.91 2.17 0.00 0.00 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 1.09 0.00 0.00 54 P 0.00 3.89 0.00 1.79 1.20 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.65 0.00 55 G 7.84 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 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.50 4.42 0.00 2.72 2.78 0.00 0.00 5.96 7.66 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 57 R 7.87 4.66 0.00 2.10 2.26 0.00 3.15 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 58 L 7.50 5.25 0.00 1.30 1.49 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.73 4.59 0.00 1.75 1.60 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 60 I 8.69 4.21 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 0.87 0.00 0.00 61 L 8.67 4.41 0.00 1.57 1.53 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.28 3.63 2.05 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 0.76 0.00 0.00 0.91 0.00 0.00 63 G 8.77 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 0.00 0.00 0.00 64 M 7.21 4.63 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 65 Y 8.35 5.11 0.00 2.83 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 66 D 9.28 4.95 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.40 0.00 1.70 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.40 7.81 68 K 8.71 3.99 0.00 1.76 1.72 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.48 7.81 69 P 0.00 4.44 0.00 2.09 1.97 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00