NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9773 8.2127 109.7397 45.3403 0.0000 175.9433 2 I 2.8582 8.2910 123.0812 62.7177 37.5661 171.6113 3 V 3.4943 8.4901 119.9547 66.4068 31.0514 177.0004 4 E 3.9052 8.1566 117.2454 59.7599 29.0908 179.2791 5 Q 4.0172 7.4655 115.4478 59.0164 29.0162 177.4188 6 C 4.5090 8.2679 116.4868 59.1320 40.8287 174.6017 7 C 4.2347 7.7573 119.7193 61.8030 31.9832 174.3177 8 T 4.1085 8.8398 117.7325 66.3503 69.2706 175.2398 9 S 4.8368 7.0980 114.9603 58.2275 62.0503 175.0658 10 I 4.6895 8.0058 129.0475 61.3329 40.8392 174.1102 11 C 5.1163 8.2918 117.9470 55.4170 45.4376 173.9255 12 S 4.7767 8.2436 116.9248 57.2031 64.2104 175.4417 13 L 3.9916 8.5610 125.0422 58.7145 41.4098 179.1468 *14 Y 4.0143 7.7890 115.5224 60.9927 37.6948 177.9473 15 Q 4.1920 8.2189 119.0352 58.7139 28.7339 178.4936 16 L 4.3173 7.8684 119.5857 57.4623 41.6786 178.5039 17 E 4.2247 8.0726 117.1848 57.9985 29.3055 178.1118 18 N 4.4045 7.6951 115.7896 54.8277 38.7534 175.6019 19 Y 4.6165 7.2533 116.8658 57.7369 38.6049 175.1977 20 C 4.5701 7.6044 119.0470 58.9187 30.0387 173.5425 21 N 4.5987 8.4737 116.8574 53.8076 38.6360 174.8427 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 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.29 2.86 0.83 0.00 0.00 0.63 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 0.82 0.68 0.00 0.00 3 V 8.49 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 0.87 0.00 0.00 4 E 8.16 3.91 0.00 2.09 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 2.47 0.00 5 Q 7.47 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.27 4.51 0.00 2.85 3.10 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 7 C 7.76 4.23 0.00 2.89 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 8 T 8.84 4.11 4.37 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 1.21 0.00 0.00 9 S 7.10 4.84 0.00 4.05 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.69 1.87 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 1.41 0.43 0.92 0.00 0.00 11 C 8.29 5.12 0.00 2.91 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.78 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.99 0.00 1.72 1.69 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *14 Y 7.79 4.01 0.00 2.59 2.35 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 15 Q 8.22 4.19 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 L 7.87 4.32 0.00 1.92 1.78 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.07 4.22 0.00 2.23 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 2.34 2.36 0.00 18 N 7.70 4.40 0.00 2.35 2.48 0.00 0.00 6.90 8.57 0.00 0.00 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 7.25 4.62 0.00 3.11 2.97 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 20 C 7.60 4.57 0.00 2.92 2.91 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 21 N 8.47 4.60 0.00 2.68 2.68 0.00 0.00 6.67 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 * Residues marked with a * may have inaccurate shift predictions.