NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0696 8.0249 121.4415 60.1238 39.0291 175.7743 13 P 4.0745 0.0000 0.0000 62.9502 32.4594 173.8058 14 E 4.0643 8.7076 122.5078 59.0895 30.0187 179.1654 15 W 4.2727 8.3311 116.3516 59.5508 28.0225 178.4057 16 K 3.2360 6.7983 118.8941 58.9466 31.3310 179.1682 17 Q 3.9208 7.3881 117.0584 58.8232 28.5560 178.5320 18 E 4.1932 8.4579 120.0058 59.2114 29.5250 178.9142 19 E 3.9415 8.1818 119.4194 59.4391 29.8618 179.0400 20 V 3.8603 7.6983 117.9000 65.8338 31.3594 177.5055 21 D 4.3183 7.6467 117.3002 57.0257 40.9529 178.0766 22 A 4.0452 8.4062 121.4345 55.5353 18.3116 179.7629 23 I 3.6370 8.3328 118.2053 64.7004 37.2704 178.8794 24 V 3.6018 7.5719 118.4064 65.8212 31.2035 177.9249 25 E 3.9474 8.5623 118.8418 59.8588 29.2135 179.3300 26 M 4.2745 7.8087 118.0733 57.5496 32.0255 178.5894 27 I 3.9321 7.6641 119.5631 63.9326 37.3033 177.7757 28 E 4.1588 8.1087 119.4118 58.6197 29.7716 178.4010 29 S 4.3339 8.0611 113.5950 59.1758 64.3543 174.5586 *63 R 4.3069 7.1273 119.5151 55.4526 31.4550 175.8830 64 N 4.3198 8.8463 118.7323 56.9572 38.3403 177.8357 65 T 4.0729 7.9572 110.3412 64.7501 68.6175 176.1088 66 L 4.0392 7.7218 121.2422 57.0776 41.7839 179.1413 67 L 3.9675 7.7986 119.0933 57.9537 41.8283 179.2838 68 E 4.0460 8.6397 118.7303 59.1642 29.0242 179.5526 69 R 3.8144 7.3966 117.9463 59.3575 30.5531 177.8431 70 A 4.5942 8.0536 121.9111 54.5978 18.1354 179.4323 71 L 3.9614 8.0562 116.7645 58.1136 41.8765 179.1618 72 D 4.5600 7.6846 114.3396 55.5604 40.8764 176.2758 73 D 4.5546 8.4324 126.5440 54.3759 41.3525 175.7861 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 12 I 8.02 4.07 1.85 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 1.38 1.04 0.88 0.00 0.00 13 P 0.00 4.07 0.00 1.79 2.04 0.00 3.43 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 2.04 2.23 0.00 14 E 8.71 4.06 0.00 2.08 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 0.00 2.40 2.38 0.00 15 W 8.33 4.27 0.00 3.62 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 6.80 3.24 0.00 1.42 1.37 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.39 3.92 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 18 E 8.46 4.19 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 2.54 0.00 19 E 8.18 3.94 0.00 2.35 2.09 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 2.40 2.40 0.00 20 V 7.70 3.86 2.15 0.00 0.00 0.00 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 0.88 0.00 0.00 21 D 7.65 4.32 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.41 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.33 3.64 1.87 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 1.43 0.82 0.92 0.00 0.00 24 V 7.57 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 25 E 8.56 3.95 0.00 2.18 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 2.33 2.35 0.00 26 M 7.81 4.27 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.44 0.00 27 I 7.66 3.93 2.03 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 1.52 0.71 0.91 0.00 0.00 28 E 8.11 4.16 0.00 2.21 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 2.34 2.31 0.00 29 S 8.06 4.33 0.00 4.06 4.10 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 0.00 0.00 0.00 *63 R 7.13 4.31 0.00 1.97 1.98 0.00 3.27 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 64 N 8.85 4.32 0.00 2.77 2.88 0.00 0.00 6.74 7.05 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 65 T 7.96 4.07 4.22 0.00 0.00 0.00 0.00 0.00 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 66 L 7.72 4.04 0.00 1.86 1.73 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.80 3.97 0.00 1.84 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.64 4.05 0.00 1.95 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 2.33 2.53 0.00 69 R 7.40 3.81 0.00 2.02 2.12 0.00 3.29 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 70 A 8.05 4.59 1.36 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 0.00 0.00 0.00 71 L 8.06 3.96 0.00 1.78 1.75 0.92 0.94 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 72 D 7.68 4.56 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.43 4.55 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.