NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0630 8.3393 109.7364 44.8553 0.0000 170.9777 2 P 4.0111 0.0000 0.0000 63.1059 29.5589 177.0341 *4 G 3.8734 9.7323 107.5708 44.5335 0.0000 173.2957 5 P 4.8206 0.0000 0.0000 61.9167 29.8642 178.6180 *7 G 3.9097 8.4012 118.7572 45.6593 0.0000 171.7670 8 P 4.4620 0.0000 0.0000 62.7915 30.6359 180.1348 *10 G 3.7372 8.7074 113.8103 45.0505 0.0000 170.4145 11 P 4.3242 0.0000 0.0000 62.3362 31.6550 176.1243 12 S 4.1050 8.4956 114.3588 58.0999 62.8387 174.8008 13 G 3.9301 8.5007 115.8130 45.1731 0.0000 169.8827 14 P 4.7388 0.0000 0.0000 60.3225 32.8727 175.0307 15 R 3.6787 8.7120 121.0054 56.4935 30.1568 176.1326 16 G 4.0351 8.6368 114.1247 45.4916 0.0000 176.4329 17 Q 4.4172 7.9415 121.0688 55.3553 27.8717 179.4221 *19 G 3.6586 8.5330 103.9216 44.4469 0.0000 171.6302 20 V 3.5363 8.1851 119.4766 62.5097 32.0613 175.6275 21 M 4.2399 8.1994 121.1272 54.6508 31.9172 176.0084 22 G 3.9735 8.0719 108.8294 44.4888 0.0000 175.8174 23 F 4.2934 8.6280 123.6505 57.8030 37.2019 178.9893 *25 G 3.7975 8.9169 119.6788 45.1222 0.0000 170.2784 26 P 4.4054 0.0000 0.0000 62.2667 32.0542 177.1433 27 K 3.9360 8.6458 122.5684 54.6687 31.9973 176.5767 28 G 3.9867 8.4992 112.7832 44.2536 0.0000 172.6669 29 P 4.7611 0.0000 0.0000 62.2125 31.0054 175.6659 *31 G 3.8314 8.3635 113.4991 45.8867 0.0000 171.9808 32 A 4.1463 8.8572 124.6087 52.8513 18.2517 177.4299 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 8.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 2.27 1.61 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 *4 G 9.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.82 0.00 2.05 1.38 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 *7 G 8.40 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.05 1.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *10 G 8.71 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.32 0.00 2.18 2.09 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 12 S 8.50 4.11 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.74 0.00 2.15 2.04 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 15 R 8.71 3.68 0.00 1.78 1.94 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 G 8.64 4.04 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 0.00 0.00 0.00 17 Q 7.94 4.42 0.00 2.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 *19 G 8.53 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.54 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 0.73 0.00 0.00 0.88 0.00 0.00 21 M 8.20 4.24 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 22 G 8.07 3.97 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 0.00 0.00 0.00 23 F 8.63 4.29 0.00 3.06 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 G 8.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.41 0.00 2.19 2.06 0.00 3.80 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 1.99 1.96 0.00 27 K 8.65 3.94 0.00 1.80 1.67 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.02 7.81 28 G 8.50 3.99 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 0.00 0.00 0.00 29 P 0.00 4.76 0.00 2.05 1.74 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 *31 G 8.36 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.86 4.15 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.