NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 V 4.0016 8.0549 120.3150 61.6252 33.4649 175.9848 47 D 4.4830 7.7235 125.3160 51.9778 39.8730 175.4554 48 L 4.1944 8.2629 125.9914 57.2109 42.9290 178.6207 49 Q 4.3301 8.0564 114.6327 56.2515 28.7867 176.3041 50 S 4.4376 7.8579 112.9281 58.9758 63.7847 173.9000 51 L 4.5444 7.4312 122.4448 52.7356 42.6205 175.4274 52 P 4.5228 0.0000 0.0000 62.8656 33.4075 177.5294 53 T 3.8888 8.2806 114.7154 67.2589 68.3466 176.5718 54 R 3.9514 8.0249 118.9997 59.1760 30.2313 178.8850 55 A 3.9929 8.0042 120.1891 55.1915 18.5568 178.7878 56 Y 4.0167 8.4143 118.3558 61.0019 38.8603 178.4813 57 L 3.8534 8.2730 119.9683 57.7308 41.4718 179.0043 58 D 4.2651 8.1437 117.4383 57.3955 41.2360 177.8333 59 Q 4.0729 8.1428 119.5234 58.3724 29.0693 177.3211 60 T 4.1992 7.2600 109.1006 63.1517 70.0565 176.0588 61 V 4.2555 7.6893 113.0130 60.3098 34.3603 178.1456 62 V 3.5309 7.9013 119.1747 65.5599 31.3596 175.9593 63 P 4.2516 0.0000 0.0000 65.6888 31.2300 178.4971 64 I 2.6155 7.2913 116.8267 63.4268 37.5684 177.7698 65 L 3.9415 7.6679 119.3863 57.6596 41.4957 179.0730 66 L 4.0885 7.8441 118.1681 57.6399 41.8245 179.0581 67 Q 4.2729 8.1659 119.6374 58.9887 28.9897 180.0224 68 G 2.9846 8.1318 105.3008 44.7004 0.0000 175.1245 *70 A 4.1957 7.9854 125.2270 51.8204 20.6888 180.2424 71 V 3.5568 7.6048 114.9881 65.9970 31.3959 178.0777 72 L 3.6193 8.0144 118.7224 57.8070 41.2261 179.4220 73 A 3.9093 7.6858 118.9997 54.8168 18.3892 179.1420 74 K 4.0047 7.6239 117.1783 59.3959 32.5014 178.3614 75 E 4.1296 8.3150 117.2111 55.8482 30.9633 176.4989 76 R 3.6281 7.9240 117.5274 56.4457 28.0750 174.1321 77 P 4.3929 0.0000 0.0000 61.8033 32.4598 175.4430 78 P 4.3907 0.0000 0.0000 64.4232 32.3794 176.1410 79 N 5.1105 7.7017 116.3328 50.3866 37.0444 173.0901 80 P 4.2786 0.0000 0.0000 66.6614 31.8480 178.7243 81 I 3.7145 7.7099 119.0641 64.1407 37.0646 177.8148 82 E 3.9478 8.1871 119.6959 59.1704 29.4554 178.3275 83 F 3.9812 8.6888 121.1550 61.2535 39.3747 176.8825 84 L 4.0906 8.5711 120.0249 58.0580 41.9301 178.6502 85 A 3.9811 8.2159 120.8341 55.3480 18.2585 179.5475 86 S 3.9715 8.2774 111.7895 61.5379 62.4069 175.6382 87 Y 3.6693 8.1215 122.4894 60.5621 38.4660 178.0360 88 L 3.9705 8.2430 120.0041 57.9385 41.5460 179.5813 89 L 3.9652 7.6421 117.3718 57.8482 41.6497 179.5739 90 K 4.0885 8.1042 117.3846 58.2010 32.2987 178.0902 91 N 4.8487 7.6786 114.6189 52.5114 39.3603 176.4370 92 K 4.1261 7.9690 121.4598 59.7679 32.3320 178.7278 93 A 3.9728 8.0814 121.0442 55.3477 18.2847 178.9323 94 Q 4.0765 8.1969 114.6022 57.4560 28.8416 176.8880 95 F 4.7886 8.1759 117.1749 56.8001 40.1884 175.0653 96 E 4.3152 8.1363 126.0333 56.5607 30.0287 175.6651 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 46 V 8.05 4.00 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 0.93 0.00 0.00 0.94 0.00 0.00 47 D 7.72 4.48 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.19 0.00 1.85 2.04 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.06 4.33 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 50 S 7.86 4.44 0.00 4.03 4.03 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 0.00 0.00 0.00 51 L 7.43 4.54 0.00 2.01 1.82 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.52 0.00 2.28 2.19 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 53 T 8.28 3.89 4.27 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 1.26 0.00 0.00 54 R 8.02 3.95 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 55 A 8.00 3.99 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 56 Y 8.41 4.02 0.00 3.09 3.20 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 0.00 0.00 0.00 0.00 57 L 8.27 3.85 0.00 1.89 1.70 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.14 4.27 0.00 2.75 2.82 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 59 Q 8.14 4.07 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 60 T 7.26 4.20 3.99 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 0.00 0.00 0.63 0.00 0.00 61 V 7.69 4.26 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 0.65 0.00 0.00 0.87 0.00 0.00 62 V 7.90 3.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.92 0.00 0.00 63 P 0.00 4.25 0.00 2.41 2.26 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 64 I 7.29 2.62 0.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.77 0.00 0.00 65 L 7.67 3.94 0.00 1.79 1.67 0.89 0.85 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 66 L 7.84 4.09 0.00 1.74 1.73 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.17 4.27 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 68 G 8.13 2.98 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 *70 A 7.99 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.60 3.56 1.87 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 1.31 0.00 0.00 0.93 0.00 0.00 72 L 8.01 3.62 0.00 1.61 1.58 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.69 3.91 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.62 4.00 0.00 1.77 1.92 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 75 E 8.32 4.13 0.00 1.71 1.82 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 2.30 2.44 0.00 76 R 7.92 3.63 0.00 1.80 1.86 0.00 3.34 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 77 P 0.00 4.39 0.00 2.23 1.61 0.00 3.39 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.47 0.00 78 P 0.00 4.39 0.00 2.20 2.21 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 79 N 7.70 5.11 0.00 2.89 3.00 0.00 0.00 6.02 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.28 0.00 2.27 2.29 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 81 I 7.71 3.71 1.90 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 1.54 0.57 0.93 0.00 0.00 82 E 8.19 3.95 0.00 2.07 2.13 0.00 0.00 0.00 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 2.39 0.00 83 F 8.69 3.98 0.00 3.30 3.18 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 0.00 0.00 0.00 84 L 8.57 4.09 0.00 1.97 1.92 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.22 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.28 3.97 0.00 3.82 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 87 Y 8.12 3.67 0.00 3.04 3.09 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 88 L 8.24 3.97 0.00 2.02 1.70 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.64 3.97 0.00 1.72 1.69 0.90 0.79 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 90 K 8.10 4.09 0.00 1.42 1.69 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.56 7.81 91 N 7.68 4.85 0.00 2.51 2.78 0.00 0.00 6.62 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 92 K 7.97 4.13 0.00 1.99 2.24 0.00 1.33 0.00 0.00 1.64 0.00 0.00 3.30 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.47 7.81 93 A 8.08 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.20 4.08 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 95 F 8.18 4.79 0.00 2.97 3.03 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 0.00 0.00 0.00 96 E 8.14 4.32 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.