NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0157 8.3544 109.7405 44.2861 0.0000 174.6677 2 I 3.8605 7.2495 117.3231 60.1027 39.9486 172.7585 3 V 3.4412 7.6480 118.8968 66.0240 31.8484 177.1052 4 E 3.4931 8.0981 117.2388 59.0282 29.4484 177.9604 5 Q 4.1527 7.9425 118.4344 58.4626 29.4048 177.4153 6 C 4.7034 8.2391 116.2962 57.5246 40.5899 174.2651 7 C 4.5717 8.4460 120.9677 59.2467 31.1976 173.5475 8 T 4.4924 7.9456 108.3716 62.6200 70.0602 175.4310 9 S 4.5013 7.5332 114.2118 57.4070 64.8363 169.8245 10 I 3.2655 7.5303 128.7743 60.9863 37.3936 173.4205 11 C 4.6216 8.5986 122.3077 56.3978 42.3666 173.4211 12 S 4.6594 8.6324 116.6295 57.1056 64.2778 175.0274 13 L 3.8283 8.5129 122.5216 58.9143 41.3456 178.9603 14 Y 4.2061 7.5450 114.3955 60.9337 37.9836 177.9344 15 Q 4.2664 8.3122 119.3900 58.7549 28.8810 178.4031 16 L 4.4776 8.0014 119.6092 57.6288 41.6721 178.9939 17 E 4.0315 8.0932 118.8824 59.5578 29.1549 178.8911 18 N 4.2222 7.5873 114.1468 56.2216 38.5941 176.1096 19 Y 4.3848 7.5610 115.6807 57.7971 38.6128 175.3777 20 C 4.2523 7.6274 120.6142 59.5644 32.3654 172.8496 21 N 4.5311 8.5284 119.9840 53.6588 38.5763 174.5376 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 8.35 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 2 I 7.25 3.86 1.37 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.07 0.76 0.00 0.00 3 V 7.65 3.44 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 0.89 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.49 0.00 1.99 1.98 0.00 0.00 0.00 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 2.37 0.00 5 Q 7.94 4.15 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 6 C 8.24 4.70 0.00 2.97 3.04 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 7 C 8.45 4.57 0.00 2.86 2.90 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 8 T 7.95 4.49 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 1.23 0.00 0.00 9 S 7.53 4.50 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.27 1.87 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 1.29 0.35 0.91 0.00 0.00 11 C 8.60 4.62 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 12 S 8.63 4.66 0.00 4.12 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 8.51 3.83 0.00 1.52 1.15 0.76 0.44 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 14 Y 7.54 4.21 0.00 3.12 3.04 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 15 Q 8.31 4.27 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 16 L 8.00 4.48 0.00 1.85 1.78 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.03 0.00 2.21 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 0.00 2.35 2.36 0.00 18 N 7.59 4.22 0.00 2.07 2.50 0.00 0.00 6.97 7.33 0.00 0.00 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 7.56 4.38 0.00 3.16 3.08 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 0.00 0.00 0.00 0.00 20 C 7.63 4.25 0.00 2.99 2.88 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 21 N 8.53 4.53 0.00 2.73 2.68 0.00 0.00 6.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00