NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9713 8.2133 109.7367 45.5079 0.0000 175.5605 7 I 3.5761 7.8039 122.0179 62.6542 37.5648 172.9082 8 V 3.6484 7.9286 118.9519 65.3278 31.9220 177.5161 9 Q 3.8997 7.9961 119.7479 59.2971 28.9598 177.6222 10 Q 3.9755 8.0938 120.0848 59.1531 29.0800 177.8452 11 Q 3.9368 8.1631 120.6865 59.5277 28.9634 178.5157 12 Q 4.0505 7.9185 120.1474 58.8524 29.0294 178.0922 13 Q 3.9965 7.8672 119.0377 58.9410 28.8068 178.4986 14 L 4.0230 8.1840 120.2905 57.6740 41.2197 179.2585 15 L 4.0875 7.9508 119.3490 57.4008 41.8849 178.2168 16 D 4.5500 7.7023 118.7272 56.3263 41.2513 178.8081 17 V 3.5579 7.7638 118.9562 66.0773 31.5165 178.3225 18 V 3.6550 7.8195 117.6867 65.2412 31.0226 178.0865 19 K 4.0333 7.5784 118.6510 59.5053 32.1083 179.0821 20 R 4.8056 8.1223 119.9276 59.0963 29.9793 179.1377 21 Q 4.0657 8.2778 117.7658 58.8399 28.6107 178.7258 22 Q 3.9602 7.7595 119.5012 59.1822 28.5884 178.0944 23 E 4.0090 7.8139 118.4148 59.1415 29.5346 179.0201 24 L 4.0332 7.9115 120.5880 57.8444 42.0479 179.0533 25 L 4.0689 8.1932 119.3379 57.7707 41.7043 179.4870 26 R 3.9905 8.0268 117.7676 58.8880 29.8380 179.1499 27 L 4.1612 7.5792 118.7318 57.7997 41.8405 179.0864 28 T 4.2747 7.9342 108.7136 63.8575 68.8278 176.6429 29 V 4.0210 8.2004 121.7637 65.2079 31.4401 177.6718 30 W 4.1946 8.0488 127.4638 60.2265 30.6445 178.0738 31 G 3.8076 8.7162 105.1777 48.0839 0.0000 175.4377 32 T 4.0125 7.9659 119.9026 65.9721 68.9994 175.9906 33 K 3.9960 7.6623 121.1093 54.7630 32.5000 178.2766 *48 Q 4.4730 8.5830 122.5668 55.8653 30.8230 176.0497 49 E 4.2769 8.0090 117.0508 57.5483 30.5815 177.8165 50 W 4.1070 8.5544 131.1935 61.4182 30.8243 177.9022 *51 E 4.2826 8.4773 109.2944 56.4998 28.6535 179.3417 52 R 4.4361 7.7830 120.5591 58.3644 31.3719 178.2923 53 K 3.9778 7.5982 117.6972 59.2900 32.3624 179.1918 54 V 3.3904 7.4583 117.1508 65.7549 31.0635 177.5543 55 D 4.3290 7.7163 118.2542 57.3107 40.8756 178.4756 56 F 4.2591 7.5921 117.8892 60.4437 38.8783 177.7955 57 L 4.0659 7.9111 118.3742 57.6981 40.9389 179.1903 58 E 4.0793 7.8874 117.8884 58.5115 29.2948 178.9044 59 E 4.3049 8.0089 120.8892 59.4199 30.0989 178.7185 60 N 4.3946 8.2672 119.3735 57.7502 37.6745 179.1272 61 I 4.1032 7.8019 121.9508 64.1647 37.1263 178.7411 62 T 3.9562 7.4037 117.2561 66.1722 68.2020 176.8519 63 A 3.9548 8.0203 122.7476 55.3196 18.5173 179.6965 64 L 4.0875 8.3121 117.8621 58.0206 41.5675 179.8707 65 L 4.0610 7.9341 119.0365 57.3997 41.5245 179.0034 66 E 4.0013 7.9703 119.0264 59.0375 29.6693 178.4658 67 E 3.9829 8.5046 118.7672 59.4423 29.3165 179.2622 68 A 4.0459 7.8117 119.6889 54.7289 18.6484 179.3681 69 Q 4.0150 7.7846 118.0222 59.5276 28.9295 177.9021 70 I 3.6871 8.1632 121.1930 64.7675 37.1230 178.1650 71 Q 4.0303 8.2476 120.1004 59.2251 28.9596 178.1527 72 Q 4.0894 8.2578 121.6282 59.6878 28.5066 179.3910 73 E 4.1799 8.2369 120.3367 61.0605 30.0852 182.0454 74 K 4.3617 7.5707 121.6386 60.2923 32.1267 183.2587 75 N 4.6850 8.4233 120.5310 56.7501 38.2282 177.3993 76 M 4.4582 7.8261 119.3139 58.0986 31.7048 180.6410 77 Y 4.4770 7.8886 118.4638 60.8204 39.1378 174.5205 78 E 4.1178 7.7829 123.2021 56.2829 29.7647 175.8648 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 6 G 8.21 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 0.00 0.00 0.00 7 I 7.80 3.58 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 1.53 0.67 0.91 0.00 0.00 8 V 7.93 3.65 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 1.10 0.00 0.00 0.94 0.00 0.00 9 Q 8.00 3.90 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 10 Q 8.09 3.98 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 11 Q 8.16 3.94 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 12 Q 7.92 4.05 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 13 Q 7.87 4.00 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 14 L 8.18 4.02 0.00 1.82 1.72 0.92 0.81 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 15 L 7.95 4.09 0.00 1.86 1.90 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.70 4.55 0.00 2.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.76 3.56 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 0.96 0.00 0.00 18 V 7.82 3.65 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 0.94 0.00 0.00 0.96 0.00 0.00 19 K 7.58 4.03 0.00 2.23 1.89 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.51 7.81 20 R 8.12 4.81 0.00 2.00 1.96 0.00 3.35 0.00 0.00 3.53 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 21 Q 8.28 4.07 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 22 Q 7.76 3.96 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 23 E 7.81 4.01 0.00 2.18 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 2.31 2.52 0.00 24 L 7.91 4.03 0.00 1.93 1.88 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.19 4.07 0.00 1.98 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.03 3.99 0.00 2.08 2.02 0.00 3.11 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 27 L 7.58 4.16 0.00 1.89 1.74 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.93 4.27 4.33 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 1.32 0.00 0.00 29 V 8.20 4.02 2.23 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 1.07 0.00 0.00 1.00 0.00 0.00 30 W 8.05 4.19 0.00 3.60 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.72 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.97 4.01 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 33 K 7.66 4.00 0.00 1.76 1.60 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *48 Q 8.58 4.47 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 49 E 8.01 4.28 0.00 2.09 2.00 0.00 0.00 0.00 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 2.34 0.00 50 W 8.55 4.11 0.00 3.39 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 *51 E 8.48 4.28 0.00 2.03 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 2.23 1.86 0.00 52 R 7.78 4.44 0.00 2.07 2.14 0.00 3.14 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 53 K 7.60 3.98 0.00 1.88 1.79 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.65 7.81 54 V 7.46 3.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.20 0.00 0.00 55 D 7.72 4.33 0.00 2.61 2.34 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 56 F 7.59 4.26 0.00 3.07 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 57 L 7.91 4.07 0.00 1.67 1.70 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.89 4.08 0.00 2.11 1.96 0.00 0.00 0.00 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 2.53 0.00 59 E 8.01 4.30 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 60 N 8.27 4.39 0.00 2.73 2.83 0.00 0.00 7.10 7.23 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 61 I 7.80 4.10 1.94 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 0.52 0.93 0.00 0.00 62 T 7.40 3.96 4.37 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 1.21 0.00 0.00 63 A 8.02 3.95 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 64 L 8.31 4.09 0.00 1.86 1.74 0.92 0.57 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 65 L 7.93 4.06 0.00 1.88 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 4.00 0.00 2.15 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 2.30 2.48 0.00 67 E 8.50 3.98 0.00 2.04 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 2.58 0.00 68 A 7.81 4.05 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 69 Q 7.78 4.02 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 70 I 8.16 3.69 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.89 0.00 0.00 71 Q 8.25 4.03 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 72 Q 8.26 4.09 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 73 E 8.24 4.18 0.00 2.07 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 0.00 2.23 1.94 0.00 74 K 7.57 4.36 0.00 1.80 1.83 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.34 7.81 75 N 8.42 4.68 0.00 2.79 2.92 0.00 0.00 7.25 7.28 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 76 M 7.83 4.46 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 77 Y 7.89 4.48 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.12 0.00 2.06 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 2.34 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.