NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9204 8.3393 109.7364 45.2423 0.0000 174.5238 0 S 4.1709 7.8300 114.2043 57.3911 65.2594 172.3905 1 R 3.9312 8.6843 121.6279 59.4580 30.1623 180.0563 2 M 3.9748 8.0138 117.5706 58.6956 32.1997 177.9785 3 K 4.2903 7.7037 120.8549 59.0675 32.3511 178.6157 4 Q 3.9889 8.0050 118.0473 59.1493 28.5826 179.0158 5 L 4.0612 8.1116 119.8733 57.6815 41.4703 179.4404 6 E 3.9592 8.3780 118.7493 59.3559 29.4925 178.9512 7 D 4.3856 8.3752 119.2187 57.4858 40.9496 179.0996 8 K 3.9963 8.0204 118.8442 59.4398 31.9501 179.6121 9 V 3.6215 8.1284 118.8105 65.8693 31.5300 177.8063 10 E 3.9323 8.1751 118.4475 59.5536 29.2965 178.9893 11 E 3.9723 8.0984 118.8454 59.3475 29.6326 178.9007 12 L 4.0774 8.0160 119.0377 57.5413 41.6274 179.4635 13 L 3.9925 8.1818 119.2671 57.7250 41.6293 179.3369 14 S 4.1355 7.9620 112.7202 61.4474 62.4112 176.2521 15 K 3.9991 8.4364 121.4598 59.6921 31.7576 178.8141 16 N 4.3311 8.4226 117.2427 56.6274 38.8629 176.0743 17 Y 4.1027 8.1051 120.9930 61.3572 39.0260 178.1594 18 H 4.0484 8.1390 116.4112 58.3339 28.7739 177.7464 19 L 3.9094 7.9197 122.2371 58.1076 41.9176 178.4514 20 E 3.8809 8.2762 118.8709 59.9411 29.5064 179.3752 21 N 4.1632 7.8056 115.7918 56.1067 38.4821 177.0551 22 E 3.9696 7.8851 120.2507 58.7791 29.7176 178.4620 23 I 3.6394 8.1793 120.1036 64.5130 37.2636 178.0438 24 A 3.9532 8.1991 121.6595 55.2514 18.1556 179.6968 25 R 3.8183 7.9311 117.0061 59.6371 30.1790 178.9091 26 I 3.7213 7.8209 119.6480 64.1176 37.0187 178.2357 27 K 3.8719 8.3260 120.8899 59.3412 31.7743 178.6591 28 K 3.8675 7.8794 118.6304 59.3609 32.2156 177.9643 29 L 4.0749 7.6251 119.1907 58.2767 42.0421 178.9257 30 V 3.9110 7.6899 110.3352 64.3210 32.4614 177.7649 31 G 3.8785 8.1659 106.0056 45.4121 0.0000 172.7052 32 E 4.3527 8.4086 117.5384 55.4766 30.6756 176.9127 33 R 4.1177 8.3321 118.2529 56.7212 30.1962 176.8575 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 G 8.34 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 0 S 7.83 4.17 0.00 4.14 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 1 R 8.68 3.93 0.00 1.87 2.03 0.00 3.14 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 2 M 8.01 3.97 0.00 2.12 2.06 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 2.67 2.67 0.00 3 K 7.70 4.29 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.34 7.81 4 Q 8.00 3.99 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 5 L 8.11 4.06 0.00 1.83 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.38 3.96 0.00 2.17 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 2.33 2.48 0.00 7 D 8.38 4.39 0.00 2.86 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 8 K 8.02 4.00 0.00 1.99 1.86 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 V 8.13 3.62 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 1.11 0.00 0.00 0.98 0.00 0.00 10 E 8.18 3.93 0.00 2.28 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 2.33 2.53 0.00 11 E 8.10 3.97 0.00 2.12 2.14 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 2.32 2.42 0.00 12 L 8.02 4.08 0.00 1.93 1.71 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.18 3.99 0.00 1.85 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.96 4.14 0.00 3.96 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 15 K 8.44 4.00 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.62 7.81 16 N 8.42 4.33 0.00 3.11 2.86 0.00 0.00 6.89 7.07 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 17 Y 8.11 4.10 0.00 3.14 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 18 H 8.14 4.05 0.00 3.33 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 3.91 0.00 1.87 1.87 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.28 3.88 0.00 2.14 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 0.00 2.32 2.62 0.00 21 N 7.81 4.16 0.00 2.64 2.69 0.00 0.00 6.76 7.64 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 22 E 7.89 3.97 0.00 2.19 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 0.00 2.28 2.37 0.00 23 I 8.18 3.64 2.01 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 1.44 0.62 0.89 0.00 0.00 24 A 8.20 3.95 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 25 R 7.93 3.82 0.00 2.00 2.06 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 I 7.82 3.72 1.86 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 1.69 0.64 0.90 0.00 0.00 27 K 8.33 3.87 0.00 1.90 1.92 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 K 7.88 3.87 0.00 1.88 1.97 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 29 L 7.63 4.07 0.00 1.80 1.90 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.69 3.91 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 0.83 0.00 0.00 0.96 0.00 0.00 31 G 8.17 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.41 4.35 0.00 1.97 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 2.29 2.27 0.00 33 R 8.33 4.12 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00