NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7152 8.2833 119.2070 53.2020 40.1613 174.8541 6 I 3.5406 8.4385 127.3828 63.5985 37.1008 176.6641 7 Q 3.8425 8.7984 121.1713 59.3573 29.4666 177.5871 8 D 4.3199 10.0845 120.1751 57.2830 40.8286 178.5913 9 Q 3.9983 8.0323 118.5889 59.0124 28.8027 178.6980 10 F 3.9057 8.2671 121.3413 61.5564 39.3921 177.2553 11 L 3.6432 7.9281 118.4970 57.5116 41.1418 179.0809 12 N 4.4991 8.1592 117.1673 56.5384 38.3801 176.7933 13 Q 3.8974 8.4336 121.8194 59.1022 29.1615 178.3115 14 I 3.7343 7.4932 115.3220 62.7971 37.5476 178.2992 15 R 4.0643 7.8985 122.1320 58.8900 29.7784 178.6099 16 K 3.9794 8.1474 117.2606 59.1703 32.1524 178.3122 17 E 4.2616 8.1556 115.6651 55.3068 30.0082 175.8103 18 N 4.0691 7.7016 115.3162 54.2037 37.0846 174.6771 19 T 4.0929 7.6154 113.9816 63.6535 69.8401 174.5759 20 Y 4.5809 8.7775 124.0759 58.0876 39.4459 175.1406 21 V 4.9522 9.2649 122.2226 60.3778 35.4450 174.3619 22 T 4.6337 8.7667 120.2569 62.7549 70.1696 173.7396 23 V 4.4834 8.6435 127.0589 61.2281 33.6558 174.2187 24 F 4.8291 9.0025 127.7824 56.2703 40.6551 176.0766 25 L 4.7585 9.0329 124.4152 53.5225 43.0701 178.0871 26 L 4.0053 8.8508 121.1303 57.9540 41.5504 178.4223 27 N 4.6064 8.2308 113.2958 52.7111 37.3913 176.1124 28 G 4.0168 8.2722 107.2259 45.7669 0.0000 174.2202 29 F 4.3759 8.6766 122.6312 58.1416 40.0227 173.2979 30 Q 4.5625 6.3446 125.0818 54.0845 31.6639 174.0890 31 L 4.8014 8.6014 125.8981 52.9837 45.1588 175.6210 32 R 4.9459 8.4471 119.6527 54.3244 33.8373 176.1014 33 G 4.1461 8.1487 109.3378 46.2264 0.0000 171.3018 34 Q 4.7406 7.8388 118.5577 53.9288 32.5962 175.0239 35 V 4.3209 8.2832 122.8631 62.6820 32.3133 176.2508 36 K 4.3871 9.2459 127.2883 56.8011 33.7339 176.2789 37 G 4.1846 7.8948 105.9424 46.2856 0.0000 171.8589 38 F 5.4019 7.9798 114.1497 56.4556 39.8816 173.1704 39 D 4.4994 8.6913 117.8312 52.5569 41.2470 175.5668 40 N 4.3227 8.9893 114.2697 56.1761 38.7623 175.6472 41 F 4.9725 7.9510 112.2297 57.5825 41.1052 174.8968 42 T 5.2536 8.4820 109.8745 59.8680 72.8895 172.9788 43 V 4.8737 8.7741 121.3717 61.1239 35.0793 173.9299 44 L 4.9184 9.1879 130.8229 53.9328 43.0752 174.4680 45 L 5.0743 9.0160 129.8808 53.3586 44.6445 174.4154 46 E 5.0890 9.0416 127.2632 54.7458 31.8241 174.4694 47 S 4.8935 8.9372 123.0596 56.8781 65.6264 174.3010 48 E 3.6508 9.7901 126.4639 57.5066 26.6053 176.2350 49 G 3.9623 7.8979 102.9487 45.9112 0.0000 172.7492 50 K 4.3428 8.0016 121.0039 55.3231 32.9830 176.0577 51 Q 4.6086 8.5475 123.3133 55.9989 29.7348 175.5852 52 Q 4.5310 9.5918 122.6559 54.0149 32.8647 173.9317 53 L 4.8214 8.6320 126.2745 54.0953 43.0823 175.3692 54 I 4.5291 8.5797 128.0166 59.4482 40.0611 175.0298 55 Y 4.4549 8.4400 124.5848 57.4774 38.5923 176.9148 56 K 4.0036 9.3577 125.4100 59.7907 32.3886 178.8472 57 H 4.2402 8.3952 112.6474 57.6350 28.5638 175.5793 58 A 4.6069 8.2519 122.3984 51.9642 19.4620 176.1454 59 I 4.5757 7.5900 117.4521 60.0647 38.9239 175.2502 60 S 4.6191 8.8792 119.1668 60.2186 63.4461 174.3661 61 T 4.7453 7.5310 114.0568 62.2485 72.9975 172.4017 62 F 5.4142 8.9064 122.7026 55.7723 41.8451 175.0177 63 A 4.9288 9.3808 125.2350 49.3621 21.1195 173.6176 64 P 4.8508 0.0000 0.0000 63.5482 31.9786 176.3549 65 Q 4.2489 8.9604 124.0686 58.8314 29.2370 177.1780 66 K 4.7457 7.8332 115.0861 54.2013 35.6823 175.5967 67 N 4.5992 8.5115 118.9075 53.0215 39.3154 175.1361 68 V 4.0625 7.9867 120.8369 61.4729 32.5278 175.3424 69 Q 4.3982 8.6500 125.9375 54.9338 29.4600 175.2076 70 L 4.8439 8.3408 122.1875 52.8101 45.2023 176.1347 71 E 4.2399 9.6598 121.5966 56.3657 29.5746 175.6408 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 N 8.28 4.72 0.00 2.75 2.80 0.00 0.00 7.08 6.98 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 6 I 8.44 3.54 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.53 0.88 0.00 0.00 7 Q 8.80 3.84 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 8 D 10.08 4.32 0.00 2.95 2.82 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 9 Q 8.03 4.00 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 10 F 8.27 3.91 0.00 3.15 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 11 L 7.93 3.64 0.00 0.57 0.33 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.16 4.50 0.00 3.19 2.85 0.00 0.00 6.81 6.40 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 13 Q 8.43 3.90 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 14 I 7.49 3.73 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.83 0.31 0.00 0.00 15 R 7.90 4.06 0.00 2.05 2.22 0.00 3.18 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 16 K 8.15 3.98 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.62 7.81 17 E 8.16 4.26 0.00 1.86 1.93 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 2.30 2.47 0.00 18 N 7.70 4.07 0.00 2.69 2.69 0.00 0.00 6.95 8.89 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 19 T 7.62 4.09 4.13 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 1.20 0.00 0.00 20 Y 8.78 4.58 0.00 3.01 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 21 V 9.26 4.95 2.32 0.00 0.00 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 1.29 0.00 0.00 22 T 8.77 4.63 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 0.39 0.00 0.00 23 V 8.64 4.48 1.97 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 0.70 0.00 0.00 0.96 0.00 0.00 24 F 9.00 4.83 0.00 2.95 2.95 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 25 L 9.03 4.76 0.00 1.91 1.68 1.13 0.49 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 26 L 8.85 4.01 0.00 1.75 1.77 1.01 0.91 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 27 N 8.23 4.61 0.00 2.87 2.96 0.00 0.00 6.07 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 28 G 8.27 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 29 F 8.68 4.38 0.00 2.99 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 30 Q 6.34 4.56 0.00 1.68 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.53 0.00 0.00 0.00 0.00 0.00 1.68 1.28 0.00 31 L 8.60 4.80 0.00 1.54 1.53 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.45 4.95 0.00 1.60 1.81 0.00 3.62 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 33 G 8.15 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 0.00 0.00 0.00 34 Q 7.84 4.74 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.91 0.00 0.00 0.00 0.00 0.00 1.83 1.44 0.00 35 V 8.28 4.32 2.04 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 1.11 0.00 0.00 0.95 0.00 0.00 36 K 9.25 4.39 0.00 1.64 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 37 G 7.89 4.18 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 0.00 0.00 0.00 38 F 7.98 5.40 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.69 4.50 0.00 2.87 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 40 N 8.99 4.32 0.00 2.19 2.19 0.00 0.00 6.61 7.45 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 41 F 7.95 4.97 0.00 3.31 3.26 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 0.00 42 T 8.48 5.25 4.18 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 0.93 0.00 0.00 43 V 8.77 4.87 2.25 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 1.16 0.00 0.00 1.15 0.00 0.00 44 L 9.19 4.92 0.00 1.78 1.71 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.02 5.07 0.00 1.83 1.53 1.03 0.66 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 46 E 9.04 5.09 0.00 2.06 1.76 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 2.16 2.27 0.00 47 S 8.94 4.89 0.00 3.90 3.78 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 48 E 9.79 3.65 0.00 2.08 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 2.27 2.34 0.00 49 G 7.90 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 50 K 8.00 4.34 0.00 1.97 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.54 7.81 51 Q 8.55 4.61 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 52 Q 9.59 4.53 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 53 L 8.63 4.82 0.00 1.58 1.49 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.58 4.53 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.94 0.00 0.00 55 Y 8.44 4.45 0.00 2.94 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.36 4.00 0.00 2.03 2.00 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.63 1.54 7.81 57 H 8.40 4.24 0.00 3.27 3.54 0.00 5.53 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 58 A 8.25 4.61 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 4.58 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 1.04 0.62 0.49 0.00 0.00 60 S 8.88 4.62 0.00 3.86 4.07 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 0.00 0.00 0.00 0.00 61 T 7.53 4.75 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 1.25 0.00 0.00 62 F 8.91 5.41 0.00 2.85 3.19 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 63 A 9.38 4.93 1.52 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 0.00 0.00 0.00 64 P 0.00 4.85 0.00 2.37 2.03 0.00 4.01 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 65 Q 8.96 4.25 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 66 K 7.83 4.75 0.00 1.73 1.65 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 67 N 8.51 4.60 0.00 2.73 2.78 0.00 0.00 6.89 7.68 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 68 V 7.99 4.06 2.01 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 0.83 0.00 0.00 0.33 0.00 0.00 69 Q 8.65 4.40 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 70 L 8.34 4.84 0.00 1.61 1.68 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.66 4.24 0.00 1.86 1.79 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 2.22 2.36 0.00