NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2151 8.2985 121.4700 56.2649 31.4650 177.2448 13 A 4.0090 8.1820 119.5057 52.7497 18.3370 176.5106 14 R 3.6598 7.5085 115.5016 59.6240 31.6211 173.9134 15 K 4.2367 8.1053 117.6944 57.5836 33.4060 174.9769 16 L 4.3507 9.2751 128.7000 56.0189 39.6128 175.3011 17 S 4.1227 8.1893 112.5095 61.0123 61.5311 174.5618 18 P 4.1956 0.0000 0.0000 65.5040 31.0234 178.3978 19 V 3.8262 7.8607 115.3652 67.0831 31.4419 177.0417 20 E 3.9985 8.4038 118.2289 58.6913 29.1096 178.7930 21 L 3.9033 8.7380 119.3631 58.2989 41.9765 179.0875 22 E 3.8506 9.4324 119.3314 59.4375 29.2296 178.5814 23 K 3.7560 7.9889 118.7386 59.7695 32.4398 177.7037 24 L 4.0525 8.0672 119.8043 58.5249 41.8668 179.1007 25 V 3.5868 8.0351 118.6634 64.8004 31.0203 177.6345 26 R 4.4562 8.0905 117.2147 55.6542 30.9727 176.5901 27 E 4.6563 7.8371 118.3812 56.7608 35.2375 176.6763 28 K 3.8117 8.8039 120.1228 60.2129 31.7589 177.7817 29 K 3.8960 8.3111 119.4446 58.1463 31.6835 178.9203 30 R 3.6101 7.8142 117.8580 59.7878 29.2490 177.7235 31 E 4.0495 8.2510 119.1741 59.3980 29.6789 178.4970 32 L 4.1600 7.5721 118.7914 59.1271 42.1846 178.3748 33 M 3.6802 8.5332 116.7298 57.1929 32.1674 176.1807 34 E 4.3287 7.9883 120.9531 55.7956 30.5279 174.5926 35 L 4.4744 7.8128 128.0273 55.6189 39.7178 177.0589 36 R 4.6522 8.6660 129.4579 55.7919 30.8003 175.8706 37 F 4.5729 8.0613 119.8641 57.2114 40.1050 173.0455 38 Q 4.0805 8.0782 126.0007 56.7238 29.7268 176.3359 39 A 4.3095 6.4962 122.6223 52.2218 18.7377 178.9612 40 S 4.5777 7.6779 117.7463 62.6375 62.9151 176.0767 41 I 3.9025 7.8637 123.6145 60.8655 37.7294 180.8262 42 G 3.6490 6.5352 110.9750 48.1397 0.0000 175.4043 43 Q 4.6098 8.2440 116.1790 54.8859 29.3683 176.1626 44 L 4.5916 9.8478 118.8376 56.3005 44.4240 177.5414 45 S 4.0159 8.6182 114.2876 62.1422 62.4424 179.4872 46 Q 2.7924 7.6274 117.1321 57.4682 31.3048 174.8801 47 N 5.2095 7.9582 120.0245 54.5914 37.7253 174.9576 48 H 4.8158 9.6462 118.4968 55.7534 31.3982 173.8655 49 K 4.2364 8.6242 124.4329 56.1736 40.0931 177.2054 50 I 3.4583 8.8931 125.4691 63.6586 38.0314 171.1257 51 R 3.9210 8.8371 131.3317 59.6505 29.3313 174.0231 52 D 4.8009 9.4694 127.2528 53.0348 37.4931 176.3703 53 L 4.0132 5.6200 114.5415 56.8830 43.1590 175.8823 54 K 3.9222 8.8312 122.6499 57.6124 29.3838 175.8359 55 R 4.4857 8.8923 116.2790 55.5342 31.0080 174.5833 56 Q 4.4305 7.9716 114.7919 54.4878 29.2218 174.7171 57 I 3.8824 8.1648 123.6272 59.3894 38.7850 174.7110 58 A 3.9268 8.5217 130.3764 52.3370 17.4418 177.0649 59 R 4.0365 8.2730 122.4129 56.8200 28.4885 175.7767 60 L 3.9594 8.1286 125.1425 56.0968 42.6134 176.4007 61 L 3.5135 8.4724 124.4361 56.8504 39.1956 175.4830 *62 T 4.1515 8.0009 115.7561 61.1307 69.1019 176.4278 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 E 8.30 4.22 0.00 1.98 2.01 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 2.27 2.26 0.00 13 A 8.18 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.51 3.66 0.00 1.85 2.00 0.00 3.18 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 15 K 8.11 4.24 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.38 7.81 16 L 9.28 4.35 0.00 1.81 2.24 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.19 4.12 0.00 3.97 3.95 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 18 P 0.00 4.20 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 19 V 7.86 3.83 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 20 E 8.40 4.00 0.00 2.25 1.88 0.00 0.00 0.00 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 2.49 0.00 21 L 8.74 3.90 0.00 1.65 1.75 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.43 3.85 0.00 2.31 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 2.31 2.38 0.00 23 K 7.99 3.76 0.00 1.77 2.06 0.00 1.88 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 24 L 8.07 4.05 0.00 1.79 1.78 0.94 0.91 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 25 V 8.04 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 26 R 8.09 4.46 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 27 E 7.84 4.66 0.00 2.17 2.01 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 2.27 2.28 0.00 28 K 8.80 3.81 0.00 2.02 1.77 0.00 1.62 0.00 0.00 1.93 0.00 0.00 3.35 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.20 7.81 29 K 8.31 3.90 0.00 1.78 1.67 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.46 7.81 30 R 7.81 3.61 0.00 1.93 2.09 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 31 E 8.25 4.05 0.00 2.07 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 2.88 2.75 0.00 32 L 7.57 4.16 0.00 1.19 1.58 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.53 3.68 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 34 E 7.99 4.33 0.00 2.12 2.11 0.00 0.00 0.00 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 2.24 0.00 35 L 7.81 4.47 0.00 1.82 1.77 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.67 4.65 0.00 1.96 1.98 0.00 3.28 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 37 F 8.06 4.57 0.00 2.91 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 38 Q 8.08 4.08 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 39 A 6.50 4.31 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.68 4.58 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.86 3.90 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.92 0.00 0.00 42 G 6.54 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.24 4.61 0.00 2.44 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 44 L 9.85 4.59 0.00 1.65 1.93 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.62 4.02 0.00 3.92 3.92 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 46 Q 7.63 2.79 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 47 N 7.96 5.21 0.00 2.87 2.95 0.00 0.00 6.33 7.90 0.00 0.00 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 H 9.65 4.82 0.00 3.22 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.62 4.24 0.00 1.97 1.39 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.50 7.81 50 I 8.89 3.46 1.88 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 1.31 0.92 0.92 0.00 0.00 51 R 8.84 3.92 0.00 1.95 2.02 0.00 3.37 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 52 D 9.47 4.80 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 L 5.62 4.01 0.00 1.58 1.65 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.83 3.92 0.00 1.95 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 55 R 8.89 4.49 0.00 1.69 1.92 0.00 3.23 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 56 Q 7.97 4.43 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 57 I 8.16 3.88 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 1.35 0.81 0.91 0.00 0.00 58 A 8.52 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.04 0.00 1.76 1.90 0.00 3.31 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 60 L 8.13 3.96 0.00 1.62 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.47 3.51 0.00 1.83 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.00 4.15 4.24 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.