NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0186 8.3544 109.7368 45.1552 0.0000 174.3164 2 I 3.8955 7.3370 117.7814 60.5456 40.1675 171.6582 3 V 3.4866 7.6575 119.4931 65.9442 32.1898 176.9594 4 E 3.4508 8.0284 118.2048 58.7079 29.5515 177.9467 5 Q 4.1892 7.8409 118.2367 58.3563 29.7678 177.1279 6 C 4.7192 8.2935 116.4253 57.8708 41.2112 174.7677 7 C 4.2169 8.6668 119.4104 60.3941 31.2052 174.7979 8 T 4.2629 7.6150 110.1775 64.7458 69.3246 177.5360 9 S 4.4847 7.8419 116.8350 56.5038 64.1012 170.8236 10 I 3.2980 7.7324 127.7970 60.9468 37.5877 173.4822 11 C 4.7208 8.4303 121.0477 55.8085 37.1504 173.8121 12 S 4.6098 8.1747 116.6820 57.6357 64.5358 175.2847 13 L 3.8565 8.2363 124.4104 58.7390 42.0189 178.4426 14 Y 4.2079 7.6162 116.0825 61.1374 37.4435 178.0893 15 Q 4.0693 8.2844 118.5364 59.0560 28.7985 178.8436 16 L 4.4592 7.9076 120.0029 57.6425 41.5985 179.2209 17 E 4.0375 8.1693 118.8185 59.3500 29.0976 178.9359 18 N 4.2704 7.4893 114.7111 55.7035 38.4418 175.3141 19 Y 4.6286 6.9928 115.7859 57.8167 38.1614 175.1986 20 C 4.4412 8.0388 121.0257 58.7407 32.5776 173.0541 21 N 4.5223 8.5491 121.0132 53.7902 38.5689 174.7791 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 7.34 3.90 0.80 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.45 0.63 0.00 0.00 3 V 7.66 3.49 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 0.88 0.00 0.00 0.85 0.00 0.00 4 E 8.03 3.45 0.00 1.98 1.97 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 2.29 2.36 0.00 5 Q 7.84 4.19 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 6 C 8.29 4.72 0.00 2.94 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 7 C 8.67 4.22 0.00 2.88 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 8 T 7.62 4.26 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 1.25 0.00 0.00 9 S 7.84 4.48 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.73 3.30 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 1.30 0.22 0.92 0.00 0.00 11 C 8.43 4.72 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 12 S 8.17 4.61 0.00 3.98 3.89 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 13 L 8.24 3.86 0.00 1.43 1.12 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.62 4.21 0.00 3.14 3.02 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 15 Q 8.28 4.07 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 16 L 7.91 4.46 0.00 1.82 1.80 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.04 0.00 2.29 2.02 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 2.33 2.33 0.00 18 N 7.49 4.27 0.00 1.88 2.43 0.00 0.00 6.75 7.26 0.00 0.00 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 6.99 4.63 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 20 C 8.04 4.44 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.52 0.00 2.72 2.68 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00