NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.6758 8.2827 118.1250 52.5120 40.0188 173.3726 26 L 3.9425 8.4570 125.1309 56.2712 42.4888 175.4700 27 L 4.2377 8.9427 123.3352 55.7915 40.4616 175.3668 28 E 3.9024 8.2505 120.8389 59.5749 29.6693 178.7056 29 E 4.0126 8.0969 118.0001 59.1382 29.5612 179.0310 30 E 4.1144 7.9757 119.7075 58.8931 29.5518 178.9369 31 S 4.0864 8.3302 115.3857 61.9225 62.9728 176.9473 32 A 3.9730 7.7230 122.9087 55.0499 18.1315 179.8733 33 V 3.5305 7.6902 116.4518 65.9922 31.6071 178.0937 34 L 4.0332 8.2636 120.4876 58.0812 41.9786 179.1071 35 G 3.6236 8.4038 106.1211 47.8735 0.0000 175.4454 36 Q 3.9803 8.3027 121.6804 58.8008 29.0375 178.1584 37 A 3.9724 7.9876 121.8904 54.9698 18.1841 179.7835 38 V 3.5163 7.5828 115.9625 66.4198 31.7667 177.9940 39 T 3.9997 7.7237 108.0385 64.9480 68.8310 175.6512 40 N 4.5301 8.5099 119.5639 55.8858 38.4444 178.1662 41 L 3.9742 7.8711 117.6976 55.3771 41.3749 179.0487 *43 L 4.2114 7.9009 121.2080 54.7793 43.3863 177.9801 44 S 4.3822 8.0694 110.1544 57.7757 63.2338 174.1886 45 G 3.8608 7.9107 108.2510 47.0540 0.0000 173.5328 46 D 4.8602 7.9996 118.7391 51.9494 42.7982 176.4500 47 N 4.3568 8.4031 118.3370 53.4177 39.0042 175.8237 48 V 4.0162 8.1804 122.8140 61.8343 30.9726 174.7603 49 N 5.1040 8.0624 124.3184 50.1498 41.8029 174.6432 50 N 4.3241 8.6819 116.8610 56.3832 38.5534 177.1081 51 K 3.8327 8.1418 120.3597 60.0627 32.1884 178.3239 52 N 4.3917 8.7090 116.4371 56.0565 38.3148 177.6633 53 I 3.7031 7.8449 121.3848 64.3886 37.2062 178.3053 54 I 3.7021 7.8880 120.6389 64.6126 36.9096 178.4552 55 L 4.0386 8.0749 119.6403 57.8594 41.3778 179.6323 56 S 4.1087 8.2962 113.1273 61.3002 62.3528 176.2458 57 L 4.0031 8.2374 121.9838 57.8293 41.2867 179.5211 58 I 3.7205 8.1921 120.2138 64.6047 36.8180 177.8659 59 H 4.1159 8.3119 118.2221 59.4496 29.8283 177.1168 60 S 4.2078 8.2631 116.9134 61.4737 62.2919 176.4351 61 L 3.9417 8.3969 123.3553 58.2975 41.6614 178.9023 62 E 4.0911 8.4081 117.4948 58.3598 29.4026 178.2575 63 T 4.4211 7.1637 107.7326 60.6335 69.5209 173.9560 64 T 4.5646 7.1021 118.1311 62.4078 70.2946 174.4966 65 S 4.5193 8.5038 120.2397 58.3454 64.4585 174.1433 66 D 4.5620 7.8638 121.3727 53.3214 41.6268 176.4333 67 I 4.0246 8.3168 122.3092 63.6762 37.1757 178.1607 68 L 3.9808 7.9494 120.7823 57.6371 41.6488 179.1789 69 K 3.9699 8.6397 118.4392 59.3449 31.9187 179.0522 70 A 3.9748 8.5425 121.4038 55.3533 18.2410 179.0726 71 D 4.2454 8.1078 116.3371 57.5173 41.2801 178.7659 72 V 3.5851 7.4872 117.8898 66.0851 31.5392 178.0522 73 I 3.7083 7.7188 119.5729 64.3322 36.8630 178.3390 74 R 3.9025 8.2115 119.6659 59.4958 29.9190 178.7728 75 K 3.9925 8.2170 118.2336 59.6508 31.8606 179.5851 76 T 3.8747 8.0146 116.1428 66.4175 68.2987 176.4616 77 L 3.9545 8.3295 122.7207 58.1513 42.0921 178.6038 78 E 3.9316 8.3936 119.3030 59.3808 29.4903 178.8235 79 I 3.7239 7.8880 119.7993 64.4375 37.1551 178.6304 80 V 3.6634 8.0058 119.0798 65.9220 31.2737 177.9719 81 L 4.0312 8.2903 119.1131 58.0442 41.4784 179.8550 82 R 3.9396 8.2518 117.9775 59.1933 29.7953 178.3896 83 Y 4.0359 8.1249 118.7010 60.9884 38.8739 178.0353 84 T 3.8072 8.2378 115.5196 66.6623 68.6875 176.2834 85 A 3.9525 7.8682 121.5024 53.1912 18.4271 176.8444 86 D 4.7289 7.8635 120.7433 54.4956 42.9292 173.9211 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 25 N 8.28 4.68 0.00 2.76 2.81 0.00 0.00 6.62 5.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.46 3.94 0.00 1.66 1.59 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.94 4.24 0.00 1.92 1.80 0.92 1.01 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 28 E 8.25 3.90 0.00 2.15 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 2.35 0.00 29 E 8.10 4.01 0.00 2.05 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 2.39 2.39 0.00 30 E 7.98 4.11 0.00 2.22 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 2.40 2.32 0.00 31 S 8.33 4.09 0.00 4.10 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 32 A 7.72 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.69 3.53 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 0.98 0.00 0.00 0.99 0.00 0.00 34 L 8.26 4.03 0.00 1.77 1.79 0.89 1.16 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 35 G 8.40 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.30 3.98 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 37 A 7.99 3.97 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 38 V 7.58 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 39 T 7.72 4.00 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 1.24 0.00 0.00 40 N 8.51 4.53 0.00 2.97 2.91 0.00 0.00 7.02 6.99 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 41 L 7.87 3.97 0.00 1.85 1.68 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *43 L 7.90 4.21 0.00 1.88 1.77 0.96 0.93 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 44 S 8.07 4.38 0.00 4.01 3.96 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 0.00 0.00 0.00 45 G 7.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.00 4.86 0.00 2.66 2.60 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 0.00 0.00 0.00 0.00 47 N 8.40 4.36 0.00 2.72 2.75 0.00 0.00 6.82 7.68 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 48 V 8.18 4.02 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 0.83 0.00 0.00 0.93 0.00 0.00 49 N 8.06 5.10 0.00 2.99 2.88 0.00 0.00 6.16 6.96 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 50 N 8.68 4.32 0.00 2.82 2.97 0.00 0.00 6.42 7.88 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 51 K 8.14 3.83 0.00 1.82 1.97 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 52 N 8.71 4.39 0.00 2.86 2.85 0.00 0.00 7.13 7.14 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 53 I 7.84 3.70 2.02 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 0.75 0.92 0.00 0.00 54 I 7.89 3.70 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.93 0.00 0.00 55 L 8.07 4.04 0.00 1.82 1.73 0.92 0.66 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 56 S 8.30 4.11 0.00 3.95 4.01 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 0.00 0.00 0.00 57 L 8.24 4.00 0.00 1.88 1.71 0.93 1.23 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 58 I 8.19 3.72 1.89 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 1.42 0.80 0.92 0.00 0.00 59 H 8.31 4.12 0.00 3.16 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.26 4.21 0.00 4.07 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 61 L 8.40 3.94 0.00 1.81 1.84 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.41 4.09 0.00 1.93 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 2.54 2.46 0.00 63 T 7.16 4.42 4.18 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 1.08 0.00 0.00 64 T 7.10 4.56 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 1.27 0.00 0.00 65 S 8.50 4.52 0.00 3.82 3.87 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 0.00 0.00 0.00 66 D 7.86 4.56 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.02 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 1.64 0.49 0.91 0.00 0.00 68 L 7.95 3.98 0.00 1.85 1.74 0.92 0.90 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 69 K 8.64 3.97 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 70 A 8.54 3.97 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 71 D 8.11 4.25 0.00 2.90 2.87 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 0.00 0.00 0.00 72 V 7.49 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 73 I 7.72 3.71 1.87 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 0.55 0.91 0.00 0.00 74 R 8.21 3.90 0.00 2.08 2.05 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 75 K 8.22 3.99 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.62 7.81 76 T 8.01 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 77 L 8.33 3.95 0.00 1.84 1.86 0.94 0.80 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 78 E 8.39 3.93 0.00 2.08 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 0.00 2.32 2.37 0.00 79 I 7.89 3.72 2.01 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 1.42 0.56 0.92 0.00 0.00 80 V 8.01 3.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.99 0.00 0.00 81 L 8.29 4.03 0.00 1.90 1.72 0.93 0.98 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 82 R 8.25 3.94 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 83 Y 8.12 4.04 0.00 2.95 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 3.81 4.44 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 1.20 0.00 0.00 85 A 7.87 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.86 4.73 0.00 2.61 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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.