NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.4936 8.2714 118.1155 53.5232 38.7514 174.2810 3 G 3.9334 8.2439 114.5300 43.0831 0.0000 169.0539 4 N 4.4096 7.8631 115.2961 52.0457 42.0463 174.5801 5 G 5.1404 7.3567 123.2722 46.5280 0.0000 173.3939 6 N 4.5804 7.7978 117.3550 54.1739 37.7621 175.8899 7 V 4.3659 7.5637 109.8501 61.0897 33.6011 175.7094 8 C 5.1783 7.4481 115.4401 53.9186 38.1697 172.0601 9 P 4.6332 0.0000 0.0000 61.4387 31.8499 174.1618 10 P 4.4542 0.0000 0.0000 64.6540 32.3741 175.6684 11 G 4.0183 8.4824 104.2850 44.1040 0.0000 175.0253 12 L 3.8601 8.7378 122.5475 57.9163 42.5955 178.0760 13 F 5.3035 7.4506 116.6906 56.7336 38.0498 176.3269 14 S 4.8859 7.7251 113.3956 58.5788 64.1815 173.9803 15 N 4.8935 8.0589 120.1441 50.8669 40.3008 172.4529 16 P 5.2991 0.0000 0.0000 62.5320 31.9376 175.9504 17 Q 4.7930 9.5132 124.0061 54.1493 32.9473 174.1134 18 C 4.8609 9.6490 121.1987 56.6922 39.8011 172.1211 19 C 5.3800 9.3552 121.7420 54.8576 43.1973 174.2038 20 A 4.0116 8.6169 122.6087 55.2778 17.7738 178.4912 21 T 4.6323 8.1267 104.6158 60.6471 71.9827 171.6401 22 Q 4.9936 8.4795 122.1115 54.4177 32.3839 174.5149 23 V 4.4486 8.7147 116.9147 60.4239 36.0681 176.5394 24 L 3.6837 9.2384 121.0886 54.8571 39.1672 176.4213 25 G 3.8535 8.6533 105.5598 45.9593 0.0000 174.3743 26 L 5.3666 7.4890 117.6944 54.8955 45.7291 174.6097 27 I 4.9166 8.4052 119.5450 59.8289 40.1269 174.6564 28 G 4.3394 9.8773 115.8703 44.8503 0.0000 172.3067 29 L 5.2047 8.5063 122.8553 53.2923 45.4832 175.8182 30 D 4.3624 9.1674 122.0330 55.4301 39.5144 172.1987 31 C 5.1607 8.1629 117.4406 55.9661 40.4446 174.5962 32 K 4.8025 9.2573 124.0992 54.3929 35.0038 176.4736 33 V 4.2048 8.3239 116.5120 60.2833 32.5226 174.3433 34 P 4.4335 0.0000 0.0000 63.2951 31.6513 176.3252 35 S 4.6887 8.0810 111.4681 57.6752 63.4686 173.9779 36 Q 4.7493 8.0049 114.8155 55.9196 30.5491 173.2550 37 N 3.9077 8.9408 119.7163 53.5008 37.2872 174.3119 38 V 4.0277 7.8646 115.5882 59.5492 34.0169 175.0512 39 Y 4.6945 8.3040 119.5606 58.5261 40.0103 175.3816 40 D 4.9563 9.5165 119.8014 50.8098 44.0150 176.0991 41 G 3.7778 8.7219 104.9310 48.3545 0.0000 175.8297 42 T 3.9407 8.2886 117.8894 66.6293 68.6008 176.1533 43 D 4.6102 8.2363 118.9062 55.7710 41.1116 178.3717 44 F 4.5059 8.2247 122.2797 61.4169 39.5720 177.0480 45 R 3.7128 8.8513 119.4396 59.5426 29.2765 178.0687 46 N 4.4295 8.2891 116.0104 55.8821 38.5452 177.6844 47 V 3.4029 7.7170 118.8351 65.7691 31.8479 177.2888 48 C 4.4107 8.2505 116.3649 59.7972 38.4211 175.4053 49 A 3.8200 7.8617 122.3608 55.3104 17.5421 179.5111 50 K 3.9408 7.2906 115.9591 59.8455 32.3380 178.0282 51 T 4.1724 7.8438 105.3341 61.2256 68.9667 174.6911 52 G 3.7556 8.7517 110.6697 46.8991 0.0000 173.5434 53 A 4.7569 7.8667 120.2973 50.1570 22.0124 176.6772 54 Q 4.5849 9.3053 119.0540 53.4710 31.6086 173.7980 55 P 3.9065 0.0000 0.0000 62.1685 32.6468 175.2401 56 L 5.3524 8.9543 123.1423 53.2589 46.7427 174.8690 57 C 5.2997 9.2215 117.3674 55.9260 40.8237 173.4341 58 C 5.1894 9.9310 123.6191 55.6324 42.6433 174.6534 59 V 4.8758 8.3729 110.5712 61.8032 31.5034 176.7866 60 A 4.7893 7.8398 122.5809 49.7263 21.9267 174.0701 61 P 4.6225 0.0000 0.0000 63.0859 32.3505 176.5757 62 V 3.8925 7.5019 112.9281 60.4907 32.3828 175.6765 63 A 4.5953 7.8848 125.7240 52.1370 18.9284 176.8559 64 G 4.1543 8.5414 106.1269 44.9824 0.0000 173.9026 65 Q 4.2661 9.0085 120.3538 58.5083 29.7985 176.8492 66 A 5.3343 7.7390 118.2201 50.5672 21.9420 175.4496 67 L 4.8077 9.5246 122.3257 52.6097 46.8141 176.4675 68 L 4.6369 8.6932 121.4054 55.5637 41.6683 176.5690 69 C 5.1394 8.9425 122.5277 54.9705 44.4712 172.3585 70 Q 4.5889 7.6726 118.7432 54.6617 32.2875 174.3129 71 T 4.4136 8.2882 114.5032 61.0655 69.8607 174.2917 72 A 4.2747 8.2287 125.9875 52.1301 19.4514 178.1273 73 V 3.8075 8.2881 112.1829 61.7001 31.8166 176.4920 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 N 8.27 4.49 0.00 2.72 2.92 0.00 0.00 6.88 6.76 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 3 G 8.24 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 4 N 7.86 4.41 0.00 2.77 2.83 0.00 0.00 6.85 6.50 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 5 G 7.36 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.80 4.58 0.00 3.06 3.02 0.00 0.00 5.95 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 7 V 7.56 4.37 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 0.68 0.00 0.00 0.46 0.00 0.00 8 C 7.45 5.18 0.00 3.04 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 9 P 0.00 4.63 0.00 2.29 2.24 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.07 0.00 10 P 0.00 4.45 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 11 G 8.48 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 12 L 8.74 3.86 0.00 1.51 1.35 0.69 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.45 5.30 0.00 3.12 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 14 S 7.73 4.89 0.00 3.98 4.29 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 15 N 8.06 4.89 0.00 2.92 2.81 0.00 0.00 6.85 8.15 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 16 P 0.00 5.30 0.00 1.61 1.27 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 17 Q 9.51 4.79 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 18 C 9.65 4.86 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.36 5.38 0.00 2.76 3.14 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 0.00 0.00 0.00 0.00 20 A 8.62 4.01 1.26 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 0.00 0.00 21 T 8.13 4.63 4.22 0.00 0.00 0.00 0.00 0.00 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 22 Q 8.48 4.99 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 23 V 8.71 4.45 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 0.65 0.00 0.00 0.92 0.00 0.00 24 L 9.24 3.68 0.00 1.87 1.79 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.49 5.37 0.00 1.86 1.57 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.41 4.92 1.97 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 1.17 0.54 0.91 0.00 0.00 28 G 9.88 4.34 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 0.00 29 L 8.51 5.20 0.00 1.69 1.51 0.92 0.82 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 30 D 9.17 4.36 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.16 5.16 0.00 2.89 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 32 K 9.26 4.80 0.00 1.65 1.68 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 33 V 8.32 4.20 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 0.72 0.00 0.00 0.93 0.00 0.00 34 P 0.00 4.43 0.00 1.99 2.04 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 35 S 8.08 4.69 0.00 3.94 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 36 Q 8.00 4.75 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 37 N 8.94 3.91 0.00 2.50 2.81 0.00 0.00 6.10 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 38 V 7.86 4.03 1.95 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 0.80 0.00 0.00 0.51 0.00 0.00 39 Y 8.30 4.69 0.00 3.01 2.92 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 40 D 9.52 4.96 0.00 2.77 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 41 G 8.72 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 0.00 0.00 0.00 42 T 8.29 3.94 4.60 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 1.24 0.00 0.00 43 D 8.24 4.61 0.00 2.76 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 44 F 8.22 4.51 0.00 3.16 3.07 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 45 R 8.85 3.71 0.00 1.76 1.99 0.00 3.08 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 46 N 8.29 4.43 0.00 2.95 2.85 0.00 0.00 6.61 7.27 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 47 V 7.72 3.40 2.27 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 0.86 0.00 0.00 0.99 0.00 0.00 48 C 8.25 4.41 0.00 3.00 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 49 A 7.86 3.82 1.39 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 0.00 0.00 50 K 7.29 3.94 0.00 1.81 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 51 T 7.84 4.17 4.23 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 1.21 0.00 0.00 52 G 8.75 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 0.00 0.00 0.00 53 A 7.87 4.76 1.24 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 0.00 0.00 0.00 54 Q 9.31 4.58 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 55 P 0.00 3.91 0.00 0.49 0.66 0.00 3.40 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 56 L 8.95 5.35 0.00 1.60 1.73 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 57 C 9.22 5.30 0.00 2.88 3.39 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 58 C 9.93 5.19 0.00 2.78 3.11 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 59 V 8.37 4.88 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 0.84 0.00 0.00 0.95 0.00 0.00 60 A 7.84 4.79 1.21 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 61 P 0.00 4.62 0.00 2.18 2.17 0.00 3.77 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 62 V 7.50 3.89 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 0.71 0.00 0.00 0.94 0.00 0.00 63 A 7.88 4.60 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 64 G 8.54 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 65 Q 9.01 4.27 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 66 A 7.74 5.33 1.18 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 67 L 9.52 4.81 0.00 1.53 1.56 1.08 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.69 4.64 0.00 1.70 1.86 0.97 1.01 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 69 C 8.94 5.14 0.00 2.77 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 70 Q 7.67 4.59 0.00 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.01 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 71 T 8.29 4.41 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 1.18 0.00 0.00 72 A 8.23 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.81 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 0.71 0.00 0.00 0.97 0.00 0.00