NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9315 8.1976 109.7350 45.6000 0.0000 175.7181 2 I 3.5629 7.6840 112.2766 63.1497 38.1150 171.4730 3 V 4.3257 8.5793 118.4872 60.8781 32.8545 176.6063 4 E 4.4409 8.5568 121.3492 58.9475 31.0322 178.2178 5 Q 3.8262 7.8057 118.0003 59.2306 29.2299 178.6366 6 C 5.1526 8.1134 110.4190 56.1276 40.9423 173.6409 7 C 4.3447 7.9358 118.8073 59.4891 33.4321 173.9381 8 T 4.4377 8.2172 117.1788 61.7064 67.4553 171.1147 9 S 4.6378 7.4892 111.9784 56.9252 64.6306 170.9373 10 I 3.8567 8.4785 120.5321 64.3455 37.2507 176.0472 11 C 4.2114 8.4338 108.9483 54.9532 41.8087 171.2376 12 S 4.7858 8.0303 112.7332 55.9372 65.2383 174.2661 13 L 4.1777 8.4911 120.5979 56.8087 42.2397 176.2284 14 Y 4.5256 7.9291 118.2006 59.8765 40.1349 177.4357 15 Q 4.0713 8.1291 117.4259 58.3795 28.8577 176.9425 16 L 4.6633 8.0790 117.5536 54.8350 42.4481 176.0587 17 E 4.3116 8.3499 120.0700 58.2928 30.8821 177.1662 18 N 4.9679 7.6100 115.7739 53.6032 36.9412 174.3098 19 Y 4.2600 7.7863 116.0452 58.5639 41.7299 175.2827 20 C 5.0553 7.9677 112.6439 55.3603 32.5324 173.4018 21 N 4.3470 9.0204 117.2044 54.3647 39.0566 174.4509 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 8.20 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 2 I 7.68 3.56 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.82 0.00 0.00 3 V 8.58 4.33 2.12 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 0.88 0.00 0.00 0.95 0.00 0.00 4 E 8.56 4.44 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 5 Q 7.81 3.83 0.00 2.11 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 6 C 8.11 5.15 0.00 3.00 3.15 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 7 C 7.94 4.34 0.00 2.91 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.22 4.44 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 S 7.49 4.64 0.00 3.92 4.11 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 10 I 8.48 3.86 1.88 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 1.48 1.31 0.92 0.00 0.00 11 C 8.43 4.21 0.00 3.21 3.75 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 0.00 0.00 0.00 0.00 12 S 8.03 4.79 0.00 4.04 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 13 L 8.49 4.18 0.00 1.64 1.79 0.94 0.82 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 14 Y 7.93 4.53 0.00 3.09 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 15 Q 8.13 4.07 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 16 L 8.08 4.66 0.00 1.67 1.66 0.41 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.35 4.31 0.00 2.05 1.59 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 2.21 2.38 0.00 18 N 7.61 4.97 0.00 2.68 2.56 0.00 0.00 6.14 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 19 Y 7.79 4.26 0.00 2.96 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 20 C 7.97 5.06 0.00 3.06 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 21 N 9.02 4.35 0.00 2.94 3.06 0.00 0.00 6.72 7.60 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