NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 K 4.2719 8.3144 121.7881 56.5131 33.3921 174.5955 504 R 4.4211 8.1143 122.9662 53.8255 32.7178 172.0518 505 I 4.5326 8.3735 117.5463 59.8376 41.5420 172.9585 506 A 4.7730 8.2167 123.2327 49.6203 21.1220 174.5485 507 P 4.6029 0.0000 0.0000 61.9206 32.7921 175.9184 508 T 4.1241 8.1855 117.5324 62.3664 68.8246 173.3327 509 P 4.2415 0.0000 0.0000 62.2353 32.0502 176.0737 510 V 4.0323 7.5049 118.9479 61.3121 33.7431 174.3594 511 Y 5.0101 8.0252 123.8405 55.4088 41.1315 173.9749 512 P 4.5536 0.0000 0.0000 63.0406 31.4806 176.5982 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 503 K 8.31 4.27 0.00 1.73 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 504 R 8.11 4.42 0.00 1.85 1.72 0.00 3.28 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 505 I 8.37 4.53 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.91 0.00 0.00 506 A 8.22 4.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 P 0.00 4.60 0.00 2.15 2.03 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 508 T 8.19 4.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 509 P 0.00 4.24 0.00 1.62 1.78 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 510 V 7.50 4.03 1.95 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 0.78 0.00 0.00 0.83 0.00 0.00 511 Y 8.03 5.01 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 512 P 0.00 4.55 0.00 2.08 2.00 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00