NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3451 8.1744 110.9442 61.3451 70.4337 173.3764 6 N 4.7242 7.9728 119.3460 53.3931 39.1790 173.4186 7 S 4.5626 8.7776 113.7725 57.2101 65.0643 173.1246 8 D 4.7932 8.5475 121.0597 54.8820 41.7567 175.5989 9 F 5.3478 7.8395 114.4650 55.4390 41.7065 173.8807 10 V 4.6254 8.7829 111.9462 59.5513 35.1985 174.9235 11 V 4.8381 8.7245 123.9598 61.3418 33.9962 174.4538 12 I 4.9182 8.9830 128.3296 59.4548 40.6799 174.0864 13 K 5.0220 9.0587 129.1700 54.2014 34.3490 175.0845 14 A 4.4264 8.8059 130.5100 52.3365 19.0356 177.4309 15 L 4.7132 8.9680 122.6479 54.7267 42.4716 176.2080 16 E 4.7016 7.7204 115.4942 54.6436 32.3781 174.5454 17 D 4.4594 8.3864 119.6284 55.7578 41.3321 176.5485 18 G 3.8294 8.2674 109.1133 46.2854 0.0000 173.9982 19 V 3.8984 7.6935 119.8169 62.6689 33.0493 174.4947 20 N 5.2652 9.1845 125.2010 51.6104 41.0700 173.7978 21 V 4.5450 8.8097 125.6961 61.5860 33.1888 174.4436 22 I 4.7680 8.9598 130.3624 59.5130 39.5682 175.1030 23 G 4.1747 9.0668 115.5314 45.2570 0.0000 172.3458 24 L 5.3942 9.0022 126.5033 53.0509 43.9623 176.3534 25 T 4.4173 8.6990 114.6134 61.9039 69.2071 174.1673 26 R 4.3109 7.8385 126.1585 56.6981 30.9359 175.1272 27 G 3.7387 8.7805 109.7562 44.0640 0.0000 172.9950 28 A 4.0906 8.6461 121.4817 54.4588 18.6349 177.8976 29 D 4.8295 7.8338 114.3796 53.1227 42.5615 176.1096 30 T 4.7212 8.3507 119.4979 62.0244 70.5055 173.2793 31 R 4.9388 8.7102 122.4692 54.2580 33.6090 174.2693 32 F 5.0834 9.0334 115.7835 57.2805 38.2755 174.7670 33 H 4.7191 8.8839 116.6859 56.0879 30.4833 173.8652 34 H 4.8516 7.8557 117.9585 55.0397 33.3641 171.8902 35 S 4.9885 8.6190 119.7784 56.4790 64.6644 172.4615 36 E 4.3868 9.0295 129.7427 54.9328 30.7153 174.9690 37 K 4.6827 8.6660 129.1348 56.1494 33.4156 175.6678 38 L 4.9710 9.1419 127.3599 53.1011 44.8071 176.2804 39 D 4.9451 9.3930 124.1296 52.6905 43.0114 175.8578 40 K 3.9415 9.0373 121.7779 58.5147 32.2198 177.1713 41 G 4.0007 9.4045 115.3698 45.3177 0.0000 173.4712 42 E 4.2514 8.0621 119.7487 56.2869 30.8281 175.9925 43 V 4.9608 8.2822 121.7877 61.0105 34.3762 174.2466 44 L 4.7804 9.1719 129.6119 53.2378 45.0102 174.8796 45 I 4.9908 8.4926 126.1624 59.6021 39.3559 174.6716 46 A 4.7148 8.8923 129.2238 50.0322 21.7814 175.5675 47 Q 4.7643 8.7081 121.3034 55.3796 30.1492 175.8504 48 F 4.7056 8.5990 120.3097 57.8720 39.1172 175.3144 49 T 4.7036 8.9892 111.3317 60.0692 71.9403 173.8299 50 E 4.1460 8.9621 121.1579 59.3593 29.5897 177.3013 51 H 4.6183 7.8395 114.4375 55.9499 30.0858 174.0483 52 T 5.2988 8.1155 116.5425 61.9734 71.0196 174.4010 53 S 5.0068 8.9854 120.2740 58.0517 64.9776 173.5224 54 A 5.0796 7.9420 121.7454 51.0427 22.6107 175.0997 55 I 5.0736 8.6321 121.1632 59.3390 40.7371 174.7385 56 K 4.6225 9.0772 127.8974 54.4991 34.9656 174.5837 57 V 4.8278 8.4145 126.5267 61.0731 33.6888 174.3780 58 R 4.4524 8.9098 128.0587 55.5355 32.7079 174.8228 59 G 4.0134 9.0486 111.5884 43.9186 0.0000 172.3626 60 K 4.5760 9.9081 121.1665 55.9477 33.0331 175.5666 61 A 5.1726 8.9946 128.4048 50.7616 23.3681 173.7301 62 Y 4.8278 9.1850 122.4493 56.2172 40.7401 174.5108 63 I 5.0242 8.4346 127.4245 59.5520 40.9980 174.3161 64 Q 5.1070 9.0443 125.5965 54.3891 31.6188 174.9185 65 T 4.8871 8.6250 113.1298 59.4500 72.4101 174.5280 66 R 3.6977 8.5683 120.5803 59.7311 29.8211 176.6008 67 H 4.5983 7.7469 112.4973 55.3799 29.5203 173.7801 68 G 3.8193 7.5813 105.8318 44.1245 0.0000 173.2333 69 V 4.5458 8.0562 112.8396 60.4920 33.3579 175.5357 70 I 4.5810 8.4090 122.5762 59.7129 42.0396 173.2158 71 E 5.1654 8.5492 125.5993 54.5203 32.4321 175.6216 72 S 4.6991 8.7688 119.3875 57.4132 65.4093 172.8578 73 E 4.9484 8.6057 120.8339 54.4244 32.2594 176.3209 74 G 3.7141 8.6878 111.7791 45.8559 0.0000 173.3338 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 5 T 8.17 4.35 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 1.23 0.00 0.00 6 N 7.97 4.72 0.00 2.78 2.85 0.00 0.00 7.15 6.75 0.00 0.00 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 S 8.78 4.56 0.00 4.13 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 8 D 8.55 4.79 0.00 2.79 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 9 F 7.84 5.35 0.00 2.97 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 10 V 8.78 4.63 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 0.54 0.00 0.00 0.90 0.00 0.00 11 V 8.72 4.84 2.19 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 1.17 0.00 0.00 1.18 0.00 0.00 12 I 8.98 4.92 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.93 0.00 0.00 13 K 9.06 5.02 0.00 1.88 1.76 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.81 4.43 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.97 4.71 0.00 1.66 1.73 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.70 0.00 2.02 1.87 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 2.18 2.33 0.00 17 D 8.39 4.46 0.00 2.69 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 18 G 8.27 3.83 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 0.00 0.00 0.00 19 V 7.69 3.90 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 0.79 0.00 0.00 1.03 0.00 0.00 20 N 9.18 5.27 0.00 2.57 2.61 0.00 0.00 6.37 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 21 V 8.81 4.54 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 1.04 0.00 0.00 0.93 0.00 0.00 22 I 8.96 4.77 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.46 0.89 0.00 0.00 23 G 9.07 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.00 5.39 0.00 1.82 1.67 1.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.70 4.42 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 1.32 0.00 0.00 26 R 7.84 4.31 0.00 1.90 1.99 0.00 3.24 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.78 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 28 A 8.65 4.09 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.83 4.83 0.00 2.68 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 30 T 8.35 4.72 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 1.26 0.00 0.00 31 R 8.71 4.94 0.00 1.90 2.00 0.00 2.70 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 32 F 9.03 5.08 0.00 3.14 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 33 H 8.88 4.72 0.00 3.09 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.86 4.85 0.00 3.29 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.62 4.99 0.00 3.82 3.69 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 0.00 0.00 0.00 36 E 9.03 4.39 0.00 2.22 1.84 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 2.30 2.32 0.00 37 K 8.67 4.68 0.00 1.78 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.52 7.81 38 L 9.14 4.97 0.00 1.55 1.52 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.39 4.95 0.00 2.57 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 40 K 9.04 3.94 0.00 1.76 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.42 7.81 41 G 9.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.25 0.00 2.06 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 2.33 2.36 0.00 43 V 8.28 4.96 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 44 L 9.17 4.78 0.00 1.73 1.46 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.99 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.59 0.00 0.00 46 A 8.89 4.71 1.15 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 0.00 0.00 47 Q 8.71 4.76 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 48 F 8.60 4.71 0.00 3.01 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 49 T 8.99 4.70 4.30 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 1.30 0.00 0.00 50 E 8.96 4.15 0.00 1.93 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 1.97 2.26 0.00 51 H 7.84 4.62 0.00 3.43 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.12 5.30 4.36 0.00 0.00 0.00 0.00 0.00 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 53 S 8.99 5.01 0.00 3.81 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 54 A 7.94 5.08 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 55 I 8.63 5.07 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.88 0.00 0.00 56 K 9.08 4.62 0.00 1.81 1.61 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.41 4.83 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 58 R 8.91 4.45 0.00 1.85 1.67 0.00 3.03 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 59 G 9.05 4.01 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 0.00 0.00 0.00 60 K 9.91 4.58 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.99 5.17 1.23 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 0.00 0.00 62 Y 9.19 4.83 0.00 3.05 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 63 I 8.43 5.02 1.92 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 1.22 0.69 0.88 0.00 0.00 64 Q 9.04 5.11 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 65 T 8.62 4.89 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 1.17 0.00 0.00 66 R 8.57 3.70 0.00 1.60 1.80 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 67 H 7.75 4.60 0.00 3.19 3.26 0.00 5.69 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 68 G 7.58 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 0.00 0.00 0.00 69 V 8.06 4.55 1.56 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 0.67 0.00 0.00 0.81 0.00 0.00 70 I 8.41 4.58 1.81 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 1.34 0.85 0.00 0.00 71 E 8.55 5.17 0.00 1.81 1.81 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 2.43 2.22 0.00 72 S 8.77 4.70 0.00 3.91 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 73 E 8.61 4.95 0.00 1.83 1.87 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 2.20 2.28 0.00 74 G 8.69 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