NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9965 8.2127 109.7426 45.5015 0.0000 173.4948 2 I 3.0368 8.0216 118.9718 62.5274 37.6479 173.8743 3 V 3.4935 8.2979 119.9913 65.9740 31.6943 177.3044 4 E 3.9678 7.9864 116.7344 59.3937 29.4145 178.7126 5 Q 4.1393 8.4569 119.7799 58.7102 29.0595 176.5505 6 C 4.9921 8.1588 115.2096 56.1763 41.5411 174.1861 7 C 4.2104 8.0001 117.2959 60.5724 28.8383 175.1472 8 T 4.2030 8.0029 116.0679 65.2590 68.6865 174.7414 9 S 4.7938 7.3531 114.1594 55.8288 66.2352 173.0979 10 I 3.8947 8.1992 122.1269 61.5065 37.3601 176.5627 11 C 4.8981 8.5608 123.0232 55.7158 40.9414 174.3716 12 S 4.4874 9.1227 119.8541 58.0002 64.9141 175.5867 13 L 4.0681 8.3890 121.3670 57.9445 41.0722 179.0739 14 Y 4.3294 7.9058 119.7778 60.2041 38.9508 177.6288 15 Q 4.0347 8.1936 118.9585 58.9868 28.7995 178.6808 16 L 4.2296 8.0395 119.9438 57.9877 41.1608 179.4383 17 E 3.9123 8.0789 118.0286 58.8925 29.0370 178.4943 18 N 3.9797 7.2444 116.7806 56.2942 39.0956 175.2464 19 Y 4.5212 7.6282 115.8530 57.1391 38.3819 175.4191 20 C 4.5362 7.0929 118.2126 59.2622 29.0538 173.5052 21 N 4.5270 8.5496 117.9432 53.7837 38.1474 175.3248 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 8.02 3.04 0.56 0.00 0.00 0.47 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 1.44 0.62 0.00 0.00 3 V 8.30 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 0.98 0.00 0.00 0.86 0.00 0.00 4 E 7.99 3.97 0.00 2.11 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 2.32 2.42 0.00 5 Q 8.46 4.14 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 6 C 8.16 4.99 0.00 3.00 3.07 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 7 C 8.00 4.21 0.00 3.12 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 8.00 4.20 4.36 0.00 0.00 0.00 0.00 0.00 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 7.35 4.79 0.00 3.96 3.92 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 10 I 8.20 3.89 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 1.42 0.54 0.93 0.00 0.00 11 C 8.56 4.90 0.00 2.99 3.07 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 12 S 9.12 4.49 0.00 4.10 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 8.39 4.07 0.00 1.77 1.80 0.95 0.70 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 7.91 4.33 0.00 2.96 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 15 Q 8.19 4.03 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 16 L 8.04 4.23 0.00 1.91 1.79 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.08 3.91 0.00 1.94 1.85 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 2.30 2.53 0.00 18 N 7.24 3.98 0.00 2.25 1.90 0.00 0.00 7.14 7.55 0.00 0.00 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 7.63 4.52 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.09 4.54 0.00 3.02 2.85 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 21 N 8.55 4.53 0.00 2.71 2.73 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