NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 L 4.3643 8.1693 121.0164 55.2370 41.9401 176.6280 43 S 4.2564 8.0862 113.6381 57.7625 64.9771 173.7788 44 D 4.4163 9.3980 123.5208 57.5567 40.9538 180.1976 45 E 4.0757 8.1401 118.8246 59.4214 29.5442 178.8285 46 D 4.3842 8.3113 119.0774 56.9995 40.7712 178.4203 47 F 4.1432 8.7198 121.7051 61.5463 39.3696 177.3823 48 K 4.4486 8.6555 119.0802 58.8442 31.5675 179.3246 49 A 3.9413 7.7298 120.3818 54.9768 18.4076 179.5576 50 V 3.3170 7.6925 115.8241 65.8189 30.4011 177.6135 51 F 4.6040 8.1895 115.8715 56.3231 39.0171 176.9384 52 G 4.0826 8.5879 106.9097 45.9481 0.0000 173.0742 53 M 4.7825 7.4151 113.7164 52.7520 34.3466 174.1488 54 T 4.2424 8.3047 110.3505 61.4304 71.1668 175.7099 55 R 3.4490 8.2105 120.6796 59.1442 29.7399 179.4986 56 S 4.0850 7.9283 112.8167 61.1093 63.3739 176.0190 57 A 4.1244 8.1372 124.4342 54.9808 18.2321 179.1405 58 F 3.9122 8.7122 119.3308 61.5881 39.2645 177.1342 59 A 4.0718 8.2043 118.4532 54.3236 18.2023 178.2578 60 N 4.4265 7.7509 114.2704 54.1629 39.4365 175.2683 61 L 4.0241 6.7308 119.8496 53.5607 42.3375 175.0919 62 P 4.2365 0.0000 0.0000 62.3223 32.1555 176.0252 63 L 3.9141 8.6908 122.6468 58.2771 42.0200 179.9464 64 W 4.3772 8.0963 111.1953 57.6530 27.8479 177.3777 *66 Q 3.6229 8.2053 119.3058 56.5476 30.1813 177.6626 67 Q 4.1125 8.4680 117.1695 59.0436 28.6328 178.1227 68 H 4.2339 8.5505 119.4682 59.5351 29.9558 177.3397 69 L 4.1663 8.0254 120.1326 57.6817 41.4692 179.5392 70 K 4.3773 8.4398 118.5657 59.5615 32.0825 179.5728 71 K 4.0069 8.2745 118.7584 59.4647 31.7629 178.9734 72 E 3.9260 8.1245 118.4563 58.9460 29.6690 178.2218 73 K 4.2528 8.0897 115.4528 55.7521 32.4462 177.2099 74 G 3.8214 7.8409 107.3426 46.2813 0.0000 173.4554 75 L 4.4399 7.7722 118.0998 52.6564 44.5605 176.9129 76 F 4.4026 8.0762 117.5893 58.4068 39.0680 175.6188 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 42 L 8.17 4.36 0.00 1.84 1.80 1.41 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.09 4.26 0.00 4.10 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 44 D 9.40 4.42 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.14 4.08 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 46 D 8.31 4.38 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.72 4.14 0.00 3.23 3.22 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 0.00 48 K 8.66 4.45 0.00 2.09 1.94 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.82 1.65 7.81 49 A 7.73 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.69 3.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.68 0.00 0.00 51 F 8.19 4.60 0.00 2.76 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.59 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.42 4.78 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.85 0.00 54 T 8.30 4.24 4.25 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 1.26 0.00 0.00 55 R 8.21 3.45 0.00 1.57 1.62 0.00 2.83 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.70 0.00 56 S 7.93 4.08 0.00 4.01 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 57 A 8.14 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.71 3.91 0.00 3.41 3.36 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 59 A 8.20 4.07 1.37 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 0.00 0.00 60 N 7.75 4.43 0.00 2.70 2.97 0.00 0.00 7.20 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 6.73 4.02 0.00 1.33 1.12 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.24 0.00 1.71 1.96 0.00 3.35 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.63 0.00 63 L 8.69 3.91 0.00 1.71 1.77 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 64 W 8.10 4.38 0.00 3.50 3.25 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 *66 Q 8.21 3.62 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 67 Q 8.47 4.11 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 68 H 8.55 4.23 0.00 3.49 3.40 0.00 5.59 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 69 L 8.03 4.17 0.00 2.17 2.17 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.44 4.38 0.00 2.18 2.30 0.00 2.01 0.00 0.00 1.87 0.00 0.00 2.61 0.00 0.00 3.16 0.00 0.00 0.00 0.00 2.06 1.91 7.81 71 K 8.27 4.01 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.71 7.81 72 E 8.12 3.93 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 73 K 8.09 4.25 0.00 1.61 1.54 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 0.93 7.81 74 G 7.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.77 4.44 0.00 1.53 0.72 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.08 4.40 0.00 3.26 2.95 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.