NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2647 8.1127 120.8594 56.6120 32.2496 177.0588 2 M 3.7529 8.1202 116.8849 57.8245 32.0043 176.4847 3 K 3.9355 8.7530 120.6308 59.6300 33.0303 178.2309 4 Q 4.0038 7.9155 117.8594 58.9885 28.6959 178.6501 5 L 4.0246 8.6163 120.6083 57.6224 41.5406 179.3093 6 E 3.9411 8.5100 118.9533 59.5735 29.3568 178.8951 7 D 4.3615 7.9727 118.7623 57.4127 40.8915 179.1224 8 K 3.8858 7.9451 119.5018 59.4074 32.2062 178.8375 9 V 3.5325 7.7120 118.5113 66.3089 31.5145 177.7805 10 E 3.9588 8.3832 118.3046 59.2493 29.2282 179.1085 11 E 3.8825 8.4464 119.5527 59.2389 29.5654 178.7703 12 L 3.8950 7.9864 117.9291 57.7642 41.7963 178.8034 13 L 3.7821 7.8740 119.1383 58.2100 42.1945 178.8184 14 S 4.3671 7.7563 114.3368 61.4853 62.8004 178.0443 15 K 4.1013 7.7205 119.4971 57.2342 31.8152 177.8905 *17 Y 5.0936 7.8466 116.9172 58.0448 40.1699 176.8538 18 H 4.1238 8.5587 118.8177 59.5605 29.9139 177.3524 19 L 4.0262 8.1821 120.5966 57.7375 41.3253 179.3418 20 E 4.0410 8.2231 118.2143 59.3691 29.4588 179.0001 21 N 4.3231 8.2441 116.6150 56.2022 38.5614 177.1556 22 E 3.9002 8.1237 119.9573 59.6265 29.6461 179.4431 23 V 3.5445 7.8742 117.7802 66.0804 31.4288 177.9882 24 A 3.9356 7.7333 119.9991 55.0514 18.3208 179.2132 25 R 3.7993 7.9491 117.2928 59.9963 30.1496 178.6970 26 L 4.1286 8.1458 117.9369 57.1926 41.3415 179.5307 27 K 4.0725 7.7956 118.2201 58.8094 32.1521 179.0005 28 K 4.0778 7.9351 120.1154 59.3057 31.9575 178.5201 29 L 3.9132 7.5135 118.0712 58.1068 41.6953 179.1727 30 V 3.8342 7.6005 116.4524 66.2479 31.4622 176.5074 31 G 3.8728 7.6872 107.6686 45.0450 0.0000 172.9605 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 R 8.11 4.26 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 2 M 8.12 3.75 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 3 K 8.75 3.94 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 Q 7.92 4.00 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 L 8.62 4.02 0.00 1.81 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.51 3.94 0.00 1.98 1.99 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 2.33 2.47 0.00 7 D 7.97 4.36 0.00 2.90 2.73 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 8 K 7.95 3.89 0.00 1.89 1.96 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 9 V 7.71 3.53 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 1.00 0.00 0.00 0.91 0.00 0.00 10 E 8.38 3.96 0.00 2.16 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 2.41 0.00 11 E 8.45 3.88 0.00 2.00 2.12 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 2.29 2.33 0.00 12 L 7.99 3.90 0.00 1.56 1.67 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.87 3.78 0.00 1.41 1.56 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.76 4.37 0.00 4.21 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 15 K 7.72 4.10 0.00 1.83 2.04 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 *17 Y 7.85 5.09 0.00 3.27 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.56 4.12 0.00 3.31 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 4.03 0.00 1.77 1.72 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.22 4.04 0.00 2.30 2.06 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 2.46 2.48 0.00 21 N 8.24 4.32 0.00 2.98 2.83 0.00 0.00 6.99 7.66 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 22 E 8.12 3.90 0.00 2.17 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 2.29 2.14 0.00 23 V 7.87 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 24 A 7.73 3.94 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 25 R 7.95 3.80 0.00 2.01 2.09 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 26 L 8.15 4.13 0.00 1.72 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.80 4.07 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.70 7.81 28 K 7.94 4.08 0.00 1.84 1.97 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 L 7.51 3.91 0.00 1.81 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.60 3.83 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 31 G 7.69 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 * Residues marked with a * may have inaccurate shift predictions.