NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0049 8.2127 109.7441 45.5852 0.0000 173.7154 2 I 3.3235 8.2033 119.1190 62.5758 37.7885 173.8511 3 V 3.4928 8.4019 119.9194 65.9749 31.6574 176.9583 4 E 3.9272 8.1428 116.4543 59.8438 29.4370 178.9208 5 Q 4.1958 8.1840 117.8400 58.2743 29.2603 175.6406 6 C 5.2114 8.1756 113.0089 55.6073 41.8898 174.0562 7 C 4.2391 8.1302 116.9312 60.0662 28.6327 174.3941 8 T 4.4762 7.6746 107.8417 61.4542 69.5515 174.3392 9 S 4.6195 7.3515 115.3803 57.0564 65.4612 173.9413 10 I 3.8766 8.2883 123.7616 61.6465 37.4591 176.1172 11 C 5.0171 8.5104 122.6630 55.2105 43.0781 174.5880 12 S 4.4383 8.8973 119.8857 57.9862 64.7710 175.4505 13 L 3.9345 8.2203 121.9514 58.1272 41.0217 179.3877 14 Y 4.3460 7.4683 115.5291 61.1772 38.0047 178.1993 15 Q 4.2153 8.3740 118.9824 59.0570 28.7970 178.7572 16 L 4.2921 8.2197 120.0033 57.7520 41.6652 179.0085 17 E 3.9988 8.3590 119.1836 59.1400 29.2103 178.4533 18 N 4.2935 7.8184 115.3700 55.5753 38.3550 175.0428 19 Y 4.5330 8.0859 116.8763 57.7460 38.6283 175.5307 20 C 4.4205 7.6368 118.1724 59.3548 28.8999 173.5304 21 N 4.5370 8.6178 118.2190 53.8053 38.0981 175.2322 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 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.32 0.74 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.65 0.00 0.00 3 V 8.40 3.49 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.14 3.93 0.00 2.26 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 2.33 2.45 0.00 5 Q 8.18 4.20 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 8.18 5.21 0.00 3.01 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 7 C 8.13 4.24 0.00 3.09 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 8 T 7.67 4.48 4.24 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 1.21 0.00 0.00 9 S 7.35 4.62 0.00 3.99 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 10 I 8.29 3.88 1.88 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 1.41 0.54 0.91 0.00 0.00 11 C 8.51 5.02 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 12 S 8.90 4.44 0.00 4.06 4.05 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 0.00 0.00 0.00 13 L 8.22 3.93 0.00 1.34 1.58 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.47 4.35 0.00 3.00 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 15 Q 8.37 4.22 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.22 4.29 0.00 1.88 1.80 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.36 4.00 0.00 2.27 2.21 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 2.35 2.41 0.00 18 N 7.82 4.29 0.00 2.34 2.43 0.00 0.00 6.92 8.68 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 19 Y 8.09 4.53 0.00 3.10 2.97 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 0.00 0.00 0.00 0.00 20 C 7.64 4.42 0.00 3.08 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 N 8.62 4.54 0.00 2.72 2.75 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00