NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.8035 8.3549 109.7366 44.9747 0.0000 173.3847 44 P 4.0242 0.0000 0.0000 61.2089 30.9971 173.5938 45 N 4.9335 8.5468 122.3917 50.3847 43.0446 175.1463 46 K 3.3238 8.9473 125.6775 60.2507 31.9848 178.3805 47 E 3.9804 9.1881 120.7723 59.3419 29.9452 178.5126 48 T 4.0647 8.7788 117.2691 66.5142 68.4980 176.8702 49 I 3.9945 7.6377 115.9728 63.5921 37.5535 177.5971 50 N 4.2692 8.1419 118.3769 56.2256 38.6846 177.1814 51 R 3.9074 7.7900 119.3846 59.2852 30.2816 178.7934 52 E 3.9898 8.0995 117.8945 59.3324 29.6361 179.5305 53 V 3.6958 8.0999 118.5114 65.9968 31.5053 178.1696 54 S 4.1344 8.6324 115.3938 61.9458 62.7285 176.9905 55 I 3.8299 7.9360 122.0776 63.8260 36.7130 178.0679 56 L 4.0099 7.7157 121.4804 58.3433 41.9413 179.2095 57 R 4.0479 8.0016 115.3555 59.5100 29.2717 177.8911 58 H 4.2296 8.0173 118.7924 59.3468 29.8486 177.2752 59 S 4.0558 8.7738 117.1501 61.8267 62.6762 175.7092 60 Y 3.8663 8.5485 122.3410 61.1038 38.3467 178.0450 61 Q 4.0599 8.4453 118.3553 59.4347 28.9954 179.6558 62 K 3.8405 7.9169 118.3901 60.2031 31.9201 178.5797 63 E 3.8201 8.0829 117.5335 59.1332 29.5957 178.5882 64 I 3.7065 7.6769 118.0310 64.5848 38.1576 177.8240 65 Q 3.9681 8.2402 118.4378 59.2371 28.5295 178.9363 66 A 4.0356 8.3338 123.0085 54.5449 18.3094 179.4657 67 K 3.7574 8.0494 117.7148 59.5362 32.0034 178.6731 68 E 3.8710 8.6458 119.8414 59.7381 29.1779 179.0459 69 T 3.9484 7.8839 114.9826 66.5224 68.4254 176.4585 70 M 4.0273 8.1995 121.3180 58.3250 32.0763 178.2787 71 K 3.8214 8.0578 119.6770 59.8146 32.0862 178.5130 72 E 3.9062 7.9228 118.3641 59.4984 29.5235 179.0934 73 V 3.6790 7.6766 118.1729 66.2900 31.3383 178.1191 74 L 3.9137 7.7972 117.7411 58.0190 41.7769 179.0667 75 S 4.0997 8.1336 115.0777 62.2277 62.8505 176.8576 76 D 4.4464 8.5650 121.2175 56.6517 40.5063 178.3779 77 N 4.2517 7.9241 117.9461 56.8973 39.1503 176.5916 78 M 4.0113 8.5959 120.3901 58.5471 32.0852 178.5897 79 E 3.9672 7.9737 119.8633 58.9026 29.7966 178.7884 80 V 3.5279 7.7076 118.3000 66.1365 31.3783 177.5742 81 L 3.8906 8.3983 120.5760 57.8613 42.0486 178.6490 82 S 4.2862 8.6678 113.4070 60.7146 62.5816 174.8651 83 D 4.5847 7.8354 122.0280 57.1058 41.2101 177.3067 84 H 4.5734 8.2073 119.5244 57.2074 29.5714 173.8430 85 I 3.5824 7.2553 122.1683 59.9240 37.2202 174.9948 86 V 3.7640 7.9246 126.0152 63.1674 31.9492 174.8367 87 I 4.2565 8.0739 114.4894 59.9631 39.8070 174.0456 88 E 3.4096 9.6734 117.1203 60.9956 27.1380 173.1044 89 G 3.9187 8.3710 116.0011 45.3299 0.0000 172.6469 90 L 4.4871 7.5207 127.1062 51.6701 43.5538 175.9906 91 S 4.2402 8.5186 121.1264 57.7627 63.6009 173.9994 92 A 4.0135 8.8897 131.2398 55.4327 17.8314 179.0475 93 E 3.8162 8.0453 117.6434 59.4358 29.7699 178.1979 94 E 3.9839 8.2176 117.9528 60.0130 29.4840 179.0064 95 I 3.6243 7.7207 117.3758 64.1533 37.8474 177.6143 96 I 3.6673 7.5413 120.0781 64.6093 37.1829 177.9568 97 K 4.0442 8.7788 119.1997 59.8641 31.7433 178.8925 98 M 4.3425 8.3907 119.3114 58.8005 31.5686 179.2349 99 G 3.7906 8.3867 104.6074 46.7028 0.0000 175.3020 100 E 3.8032 8.9312 122.6023 59.5698 29.7816 178.0277 101 T 4.0374 7.1024 113.6446 65.8035 68.9658 174.6813 102 V 4.2805 6.8268 118.7549 61.0103 34.5031 174.4087 *103 L 4.1256 8.4138 120.9369 54.6919 41.4527 176.4863 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 43 G 8.35 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 44 P 0.00 4.02 0.00 2.13 2.10 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 N 8.55 4.93 0.00 2.62 2.59 0.00 0.00 6.67 6.65 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 46 K 8.95 3.32 0.00 2.01 2.10 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.54 7.81 47 E 9.19 3.98 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 48 T 8.78 4.06 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 49 I 7.64 3.99 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 1.51 1.19 0.91 0.00 0.00 50 N 8.14 4.27 0.00 2.98 3.04 0.00 0.00 7.22 7.01 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 51 R 7.79 3.91 0.00 2.10 1.97 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 52 E 8.10 3.99 0.00 2.14 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 2.41 2.55 0.00 53 V 8.10 3.70 2.08 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 1.02 0.00 0.00 0.97 0.00 0.00 54 S 8.63 4.13 0.00 3.95 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 55 I 7.94 3.83 1.90 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 1.44 0.90 0.93 0.00 0.00 56 L 7.72 4.01 0.00 1.94 1.75 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.00 4.05 0.00 2.08 2.16 0.00 3.03 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 58 H 8.02 4.23 0.00 3.24 3.53 0.00 5.79 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 59 S 8.77 4.06 0.00 3.88 3.89 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 60 Y 8.55 3.87 0.00 3.14 3.14 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 61 Q 8.45 4.06 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 62 K 7.92 3.84 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 63 E 8.08 3.82 0.00 1.65 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 64 I 7.68 3.71 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 1.06 0.00 0.00 65 Q 8.24 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 66 A 8.33 4.04 1.33 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 0.00 0.00 67 K 8.05 3.76 0.00 1.80 1.95 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 68 E 8.65 3.87 0.00 2.02 2.04 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 2.30 2.35 0.00 69 T 7.88 3.95 4.23 0.00 0.00 0.00 0.00 0.00 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 70 M 8.20 4.03 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 71 K 8.06 3.82 0.00 1.87 1.94 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.55 7.81 72 E 7.92 3.91 0.00 2.04 1.97 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 2.33 2.31 0.00 73 V 7.68 3.68 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 1.02 0.00 0.00 1.00 0.00 0.00 74 L 7.80 3.91 0.00 1.86 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.13 4.10 0.00 3.92 3.94 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 76 D 8.57 4.45 0.00 2.66 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 77 N 7.92 4.25 0.00 2.98 2.85 0.00 0.00 7.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.60 4.01 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 79 E 7.97 3.97 0.00 2.14 1.93 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 2.31 2.17 0.00 80 V 7.71 3.53 2.28 0.00 0.00 0.00 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 1.00 0.00 0.00 81 L 8.40 3.89 0.00 1.66 1.72 0.90 0.89 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 82 S 8.67 4.29 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.84 4.58 0.00 2.81 2.80 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 84 H 8.21 4.57 0.00 3.10 3.35 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.26 3.58 2.00 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 1.18 0.74 0.99 0.00 0.00 86 V 7.92 3.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 87 I 8.07 4.26 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 1.30 0.52 1.00 0.00 0.00 88 E 9.67 3.41 0.00 2.03 1.95 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 2.21 2.28 0.00 89 G 8.37 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 0.00 0.00 0.00 90 L 7.52 4.49 0.00 1.54 1.56 0.92 0.89 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 91 S 8.52 4.24 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.89 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.05 3.82 0.00 2.01 1.94 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 2.30 2.34 0.00 94 E 8.22 3.98 0.00 2.18 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 2.41 2.40 0.00 95 I 7.72 3.62 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 1.52 1.61 0.97 0.00 0.00 96 I 7.54 3.67 2.12 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 1.52 0.70 0.91 0.00 0.00 97 K 8.78 4.04 0.00 1.98 1.86 0.00 1.72 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 1.46 1.64 7.81 98 M 8.39 4.34 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.75 0.00 99 G 8.39 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.93 3.80 0.00 1.89 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 0.00 2.32 2.39 0.00 101 T 7.10 4.04 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 0.00 102 V 6.83 4.28 2.08 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 0.52 0.00 0.00 0.93 0.00 0.00 *103 L 8.41 4.13 0.00 1.43 1.52 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.