NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0914 8.1600 109.1443 45.0912 0.0000 174.5206 2 I 3.0853 7.9278 120.1364 62.2373 37.7432 172.7313 3 V 3.4875 8.3549 120.0120 66.0717 31.4127 177.2630 4 E 3.9744 8.1408 117.8496 59.2436 27.8996 178.6604 5 Q 4.2450 8.3440 119.0512 57.5694 29.1981 175.9944 6 C 4.8026 8.3555 115.8808 56.0232 41.1666 174.0226 7 C 4.3732 7.7309 118.4602 61.8761 29.0583 175.5462 8 T 3.9928 8.0710 114.8173 66.1830 68.2652 174.3623 9 S 4.8322 7.3445 115.6054 56.2410 66.1946 173.2362 10 I 4.0768 8.1126 122.8455 61.0601 37.5326 176.5872 11 C 4.8388 8.5871 123.3584 55.9447 40.7763 174.4274 12 S 4.5036 9.0999 119.9342 57.5768 65.0291 175.3129 13 L 3.8429 8.3151 121.1740 58.3538 40.9190 179.5187 14 Y 4.0912 7.4328 114.9678 61.1351 38.0306 178.0341 15 Q 4.2130 8.3331 119.1258 58.9099 28.8417 178.6631 16 L 4.2197 8.4002 120.5032 57.7460 41.6228 179.0370 17 E 3.9685 8.3246 119.2802 59.0822 29.1951 178.1744 18 N 4.1193 7.5840 116.6022 56.7741 39.2148 175.5721 19 Y 4.3365 7.9110 116.0442 58.1914 38.1570 175.4705 20 C 4.5396 7.1839 117.9059 59.2035 29.0498 173.4735 21 N 4.5380 8.5373 117.4297 53.8142 38.1487 175.4157 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 8.16 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.09 0.60 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.66 0.00 0.00 3 V 8.35 3.49 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 0.94 0.00 0.00 0.87 0.00 0.00 4 E 8.14 3.97 0.00 2.26 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 2.41 2.43 0.00 5 Q 8.34 4.25 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 6 C 8.36 4.80 0.00 2.92 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 7.73 4.37 0.00 3.14 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 8.07 3.99 4.25 0.00 0.00 0.00 0.00 0.00 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 7.34 4.83 0.00 3.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.08 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 0.48 0.92 0.00 0.00 11 C 8.59 4.84 0.00 2.99 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 9.10 4.50 0.00 4.19 4.12 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 13 L 8.32 3.84 0.00 0.99 1.43 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.43 4.09 0.00 3.00 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 8.33 4.21 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.40 4.22 0.00 1.85 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 18 N 7.58 4.12 0.00 2.48 2.34 0.00 0.00 6.86 6.74 0.00 0.00 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 7.91 4.34 0.00 3.23 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 20 C 7.18 4.54 0.00 3.06 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 8.54 4.54 0.00 2.72 2.74 0.00 0.00 6.80 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