NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3379 8.1701 110.9448 62.4956 70.0305 172.1127 2 A 4.3489 8.2471 119.8404 52.0602 23.9192 174.1946 3 D 4.7043 7.4013 113.2601 55.7014 44.5963 177.6382 4 N 4.7318 7.5197 120.3567 52.6324 39.6052 174.5825 5 K 4.6217 8.4360 112.5917 55.7765 32.2496 178.2189 6 F 4.5103 8.0580 118.5643 56.1232 38.5399 174.5785 7 N 5.0917 8.2621 119.8339 53.6313 43.0306 175.1413 8 K 4.0222 8.0774 119.9877 58.3746 29.3208 175.7524 9 E 3.8551 8.2512 125.7122 57.8348 27.1580 176.8829 10 Q 4.1586 7.0015 117.1153 57.0506 28.7189 177.3125 11 Q 4.1179 7.9670 118.5757 59.5352 28.9910 179.2398 12 N 4.5507 8.1697 116.0349 56.3017 37.4191 176.4935 13 A 4.1534 7.5788 123.4511 54.5848 18.3907 178.9137 14 F 4.2879 8.6115 119.3018 62.2845 39.1327 176.9977 15 Y 3.3272 6.6996 115.0577 60.9122 38.2118 178.7693 16 E 4.2632 8.9842 119.9862 59.4725 29.8850 178.8854 17 I 3.6054 7.8217 119.2863 64.3725 36.9536 176.1880 18 L 4.6671 7.4336 118.7350 55.5833 42.7336 177.4605 19 H 4.7631 8.1827 115.1699 55.4051 31.5057 172.5615 20 L 3.9622 7.3804 119.1264 54.1169 40.9738 176.0708 21 P 4.4513 0.0000 0.0000 64.1014 31.5912 176.7973 22 N 4.7998 8.0249 115.5928 52.6383 37.7163 174.2614 23 L 4.8727 7.4533 117.8825 53.1004 45.6855 175.6658 24 N 4.7643 8.3102 117.5973 51.8651 39.0071 175.4980 25 E 4.0085 8.3984 118.3833 57.7044 30.3754 177.7333 26 E 3.8909 8.3924 118.5693 59.8518 29.8703 178.4558 27 Q 4.0695 7.8658 117.0314 59.2572 28.8770 177.8577 28 R 2.0000 7.4723 119.7621 58.6992 29.9290 177.6665 29 N 4.0772 8.7727 117.3344 57.4541 38.6529 176.1639 30 G 3.7180 7.4371 106.0581 47.6013 0.0000 175.0368 31 F 4.4218 7.6763 115.6871 59.5405 38.0555 177.7154 32 I 3.7309 7.5868 114.6537 63.1544 37.3414 177.5084 33 Q 4.0318 8.7428 122.2377 59.4793 28.6275 179.1325 34 S 4.1906 8.0997 115.7698 61.0767 62.6879 176.1310 35 L 4.0017 8.1425 123.1582 57.6515 41.7846 178.7191 36 K 4.0368 7.6221 117.0213 59.4686 33.4183 178.0646 37 D 4.7600 7.7785 117.2594 54.2990 42.1881 177.2083 38 D 4.7131 8.4045 119.9699 52.6229 42.9522 175.2696 39 P 5.3837 0.0000 0.0000 61.8009 30.2559 177.8860 40 S 4.3629 8.4110 115.0901 60.3991 62.8204 174.3292 41 Q 4.4214 7.9981 115.6786 56.4392 29.0861 177.5547 42 S 4.1019 7.8905 119.3838 61.8909 62.6450 176.7704 43 A 4.1332 7.6168 123.8762 54.7701 18.4184 178.9511 44 N 4.1577 8.0916 114.9112 56.7140 38.8505 176.7182 45 L 3.8719 8.2181 120.8186 57.6015 41.8698 178.7863 46 L 3.8044 7.5968 119.8666 58.5634 41.7572 178.5296 47 A 3.8765 7.5644 120.0328 55.5152 18.2861 179.0883 48 E 3.7481 8.1003 115.5816 59.6456 29.7118 179.6337 49 A 2.9861 7.8194 120.6884 54.8223 18.1420 179.5367 50 K 3.7642 7.7656 116.0593 59.6401 32.0313 179.4555 51 K 3.8348 7.7145 119.6232 59.4200 32.0780 178.6082 52 L 4.0860 7.5837 118.5190 57.5294 42.1381 177.9812 53 N 4.4464 7.9123 117.0080 57.0497 39.0087 176.0251 54 D 4.3258 7.8783 119.1204 57.2141 41.2399 177.9772 55 A 4.2221 7.5011 119.3082 54.1825 18.4822 178.1823 56 Q 4.4195 7.9133 112.1386 55.7686 32.4730 174.3900 57 A 4.4772 7.8300 122.2841 49.9746 19.8309 176.1289 58 P 4.4461 0.0000 0.0000 63.1651 31.8468 175.0895 59 K 4.3740 7.8528 116.7613 55.8936 35.0866 175.5200 60 A 4.1502 8.4314 120.8441 52.5722 18.3325 177.3758 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 1 T 8.17 4.34 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 1.25 0.00 0.00 2 A 8.25 4.35 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 3 D 7.40 4.70 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.73 0.00 2.86 2.77 0.00 0.00 5.19 6.92 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 5 K 8.44 4.62 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.49 7.81 6 F 8.06 4.51 0.00 2.99 3.09 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 7 N 8.26 5.09 0.00 2.78 2.91 0.00 0.00 6.40 7.19 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 8 K 8.08 4.02 0.00 1.89 2.01 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.35 7.81 9 E 8.25 3.86 0.00 2.11 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 2.30 0.00 10 Q 7.00 4.16 0.00 1.78 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 11 Q 7.97 4.12 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.04 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 12 N 8.17 4.55 0.00 2.96 3.05 0.00 0.00 7.28 6.62 0.00 0.00 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 A 7.58 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.29 0.00 2.88 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 15 Y 6.70 3.33 0.00 3.01 2.80 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 0.00 0.00 0.00 0.00 16 E 8.98 4.26 0.00 2.15 2.03 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 2.38 2.61 0.00 17 I 7.82 3.61 2.18 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 1.22 0.00 0.00 18 L 7.43 4.67 0.00 1.40 1.58 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.18 4.76 0.00 3.29 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.38 3.96 0.00 1.81 1.91 1.05 0.95 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 21 P 0.00 4.45 0.00 2.19 2.19 0.00 3.78 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 2.00 1.97 0.00 22 N 8.02 4.80 0.00 2.97 2.97 0.00 0.00 5.87 7.81 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 23 L 7.45 4.87 0.00 1.63 1.61 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.31 4.76 0.00 2.85 2.94 0.00 0.00 5.57 7.67 0.00 0.00 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 E 8.40 4.01 0.00 1.98 1.92 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 2.34 2.23 0.00 26 E 8.39 3.89 0.00 1.97 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 2.27 2.40 0.00 27 Q 7.87 4.07 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 28 R 7.47 2.00 0.00 1.86 1.63 0.00 3.13 0.00 0.00 3.33 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.73 0.00 29 N 8.77 4.08 0.00 2.85 2.82 0.00 0.00 7.18 8.80 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 30 G 7.44 3.72 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 0.00 0.00 0.00 31 F 7.68 4.42 0.00 3.14 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 32 I 7.59 3.73 1.84 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 1.26 0.77 1.09 0.00 0.00 33 Q 8.74 4.03 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 34 S 8.10 4.19 0.00 3.96 3.90 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 0.00 0.00 0.00 35 L 8.14 4.00 0.00 1.54 1.69 0.85 -0.15 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 36 K 7.62 4.04 0.00 1.85 1.69 0.00 1.34 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.45 1.38 7.81 37 D 7.78 4.76 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 38 D 8.40 4.71 0.00 2.74 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 39 P 0.00 5.38 0.00 1.63 1.44 0.00 3.65 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 40 S 8.41 4.36 0.00 3.81 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 41 Q 8.00 4.42 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 42 S 7.89 4.10 0.00 3.74 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 43 A 7.62 4.13 1.14 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 44 N 8.09 4.16 0.00 2.81 2.91 0.00 0.00 7.06 6.65 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 45 L 8.22 3.87 0.00 1.92 1.74 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.60 3.80 0.00 1.95 1.60 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.56 3.88 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 48 E 8.10 3.75 0.00 1.96 1.89 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 2.26 2.53 0.00 49 A 7.82 2.99 0.76 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 50 K 7.77 3.76 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.59 7.81 51 K 7.71 3.83 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 52 L 7.58 4.09 0.00 1.70 1.83 1.12 1.15 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 53 N 7.91 4.45 0.00 2.88 2.89 0.00 0.00 6.67 8.06 0.00 0.00 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 7.88 4.33 0.00 2.74 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 55 A 7.50 4.22 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 56 Q 7.91 4.42 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 57 A 7.83 4.48 1.27 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 0.00 0.00 0.00 58 P 0.00 4.45 0.00 2.19 2.08 0.00 3.82 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 1.99 1.97 0.00 59 K 7.85 4.37 0.00 1.84 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 60 A 8.43 4.15 1.25 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 0.00 0.00 0.00