NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0150 8.3544 109.7405 44.2758 0.0000 174.6647 2 I 3.8589 7.2490 117.3281 60.1075 39.9455 172.7629 3 V 3.4408 7.6475 118.8972 66.0241 31.8480 177.1023 4 E 3.4881 8.0995 117.2413 59.0360 29.4461 177.9628 5 Q 4.1522 7.9427 118.4313 58.4645 29.4567 177.4185 6 C 4.6382 8.2383 116.3258 57.5327 40.5928 174.2650 7 C 4.5727 8.4484 120.9544 59.2537 31.1910 173.5652 8 T 4.4940 7.9406 108.4431 62.6150 70.0716 175.4314 9 S 4.4976 7.5431 114.2296 57.4417 64.8337 169.8315 10 I 3.2619 7.5357 128.8828 60.9899 37.3759 173.4184 11 C 4.6207 8.5982 122.3217 56.3935 42.2650 173.4303 12 S 4.6565 8.6175 116.6608 57.1068 64.2762 175.0338 13 L 3.8316 8.5124 122.4827 58.9077 41.3472 178.9463 14 Y 4.2026 7.5487 114.3995 60.9441 38.0158 177.9473 15 Q 4.2653 8.3041 119.3829 58.7684 28.8711 178.4129 16 L 4.4802 8.0025 119.5990 57.6223 41.6778 178.9950 17 E 4.0298 8.0916 118.9024 59.5552 29.1529 178.8839 18 N 4.2323 7.5835 114.1482 56.2400 38.5966 176.1185 19 Y 4.3811 7.5534 115.6755 57.8188 38.6023 175.3670 20 C 4.2541 7.6398 120.6215 59.5620 32.3667 172.8486 21 N 4.5312 8.5271 119.9501 53.6556 38.5765 174.5270 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.18 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 4.64 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 7.94 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 7.54 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 7.54 3.26 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 8.62 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 7.55 4.20 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 8.30 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 7.58 4.23 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 7.55 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 7.64 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