NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 5.0799 8.3093 122.8351 58.4361 39.9600 173.3949 2 D 4.9339 8.3508 129.7362 50.7779 41.7898 175.1971 3 L 3.8387 8.6670 119.5736 56.5937 42.4209 179.8861 4 N 4.5003 8.4331 117.8739 56.0435 38.7551 177.0582 5 D 4.3766 8.0644 119.7464 57.4759 40.7226 178.3535 6 F 4.5065 7.8920 120.8373 61.3621 39.0074 176.9065 7 L 3.8240 7.4936 119.0138 57.8506 41.9563 178.4378 8 E 4.3114 8.1256 117.6430 57.5176 29.5151 176.7631 9 Q 4.1504 7.2971 119.9139 54.8014 28.0065 176.0729 *23 K 4.2715 7.8942 126.7952 55.0245 34.2838 176.3321 24 V 3.7940 7.5149 118.2911 63.3620 32.4430 181.4293 25 L 4.1945 7.9860 119.8932 58.1305 41.2719 184.2758 26 V 3.8524 7.6180 117.5107 64.4897 32.0597 181.4405 27 R 4.1597 7.5003 117.2028 56.7834 29.6094 181.5283 *29 E 4.2454 8.3889 120.1351 57.1080 31.6585 178.2057 30 A 4.0978 7.9293 119.2124 55.4780 18.5942 179.4871 31 I 3.7974 7.5700 117.2494 64.7725 37.0368 178.7977 32 I 3.7340 7.6663 118.5667 64.3783 37.1306 177.6919 33 N 4.4719 8.8648 116.2181 54.4366 39.4160 175.8027 34 S 4.6052 7.6357 116.0025 55.8416 60.9684 173.0197 *36 T 4.3053 7.8681 119.3540 61.6573 70.3595 176.4546 *38 K 4.2425 8.8558 119.0083 56.3739 34.0128 177.4595 39 E 3.9133 7.8969 118.2573 59.4753 29.2305 179.6449 40 R 3.7604 7.9704 117.5062 58.6370 29.7962 178.7791 41 A 4.2847 7.1732 117.2954 52.9885 20.5465 177.5518 42 K 4.5183 7.9419 117.6604 53.2408 32.2335 174.2722 43 P 4.2336 0.0000 0.0000 65.4260 31.8711 178.5845 44 E 4.1045 8.1258 114.5165 58.4066 29.5354 177.7209 45 I 3.8705 7.5419 112.3459 62.4565 37.9629 176.7159 46 I 4.0075 7.5777 122.4385 61.0597 35.9603 175.7485 47 K 4.6453 7.9674 129.5046 55.3235 34.0558 177.4238 48 G 3.6463 8.8321 105.9712 49.0895 0.0000 175.1881 49 S 4.1046 8.0282 115.7459 61.1088 62.3834 176.4002 50 R 3.9346 7.9170 120.0636 59.0913 29.8102 178.8878 51 K 3.9141 8.1593 118.3196 59.5620 32.0569 179.4125 52 R 3.8990 8.0664 118.1237 59.2914 30.0244 179.0063 53 R 3.8640 7.8602 118.1245 59.4764 30.0910 178.5848 54 I 3.6592 8.1310 119.6264 64.3039 36.9113 178.0471 55 A 3.9249 8.1139 120.2273 55.4130 18.5818 179.2573 56 A 4.1741 8.0971 119.0194 55.2107 18.2115 180.0662 57 G 3.6813 8.1969 103.8197 46.9475 0.0000 175.0808 58 S 4.7336 7.7679 113.9649 56.7150 64.7472 174.6297 59 G 3.7869 7.6209 108.9202 47.0650 0.0000 173.8942 *61 Q 4.0932 7.2953 116.5015 55.4116 30.9440 177.0123 62 V 3.5769 8.5609 120.9249 66.5419 31.3698 178.1844 63 Q 4.0454 8.2484 116.4909 59.7716 27.9899 178.7182 64 D 4.3311 8.2167 120.4940 57.0257 40.8857 178.8496 65 V 3.5749 7.6687 118.1094 66.2203 31.5380 177.5206 66 N 4.4296 8.8575 118.9151 57.1522 38.4147 178.2249 67 R 3.9840 8.4647 122.3287 61.1030 29.3978 180.7727 68 L 4.2177 7.9045 120.3296 58.3658 42.2495 178.9853 69 L 4.1171 8.3570 119.3483 57.6271 41.4704 179.5841 70 K 3.9497 8.4644 120.0337 59.5259 31.9462 179.0284 71 Q 4.1105 7.7266 117.0815 59.0678 28.7969 178.0943 72 F 3.1806 8.2848 120.5472 61.0470 39.3703 176.2416 73 D 4.1648 7.9417 117.8830 56.9417 40.7915 178.2012 74 D 4.3782 7.9409 120.2416 55.8852 41.9430 178.5867 *76 Q 4.4002 7.9881 118.9708 55.1072 30.1027 179.5541 77 R 4.0566 8.2685 122.4533 56.9781 27.5682 177.4963 *80 K 4.2419 7.9507 126.3382 53.3497 33.8318 175.8299 81 K 4.1851 7.8977 124.9594 57.6597 33.0360 176.2305 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 1 F 8.31 5.08 0.00 2.98 3.17 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 0.00 0.00 0.00 0.00 2 D 8.35 4.93 0.00 2.96 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 3 L 8.67 3.84 0.00 1.44 1.52 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.43 4.50 0.00 2.89 2.83 0.00 0.00 6.90 8.22 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 5 D 8.06 4.38 0.00 2.58 3.04 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 0.00 0.00 0.00 6 F 7.89 4.51 0.00 3.26 3.11 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 0.00 0.00 0.00 7 L 7.49 3.82 0.00 1.75 1.83 0.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.13 4.31 0.00 2.11 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 2.68 2.53 0.00 9 Q 7.30 4.15 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 *23 K 7.89 4.27 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 24 V 7.51 3.79 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 0.67 0.00 0.00 0.93 0.00 0.00 25 L 7.99 4.19 0.00 1.66 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.62 3.85 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 0.63 0.00 0.00 0.93 0.00 0.00 27 R 7.50 4.16 0.00 1.78 1.92 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 *29 E 8.39 4.25 0.00 2.19 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 2.24 2.50 0.00 30 A 7.93 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.80 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 1.53 0.99 0.92 0.00 0.00 32 I 7.67 3.73 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.51 0.88 0.00 0.00 33 N 8.86 4.47 0.00 2.86 2.86 0.00 0.00 6.85 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.64 4.61 0.00 3.96 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 *36 T 7.87 4.31 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 *38 K 8.86 4.24 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 39 E 7.90 3.91 0.00 2.10 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 2.29 2.32 0.00 40 R 7.97 3.76 0.00 1.83 1.98 0.00 3.07 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 41 A 7.17 4.28 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.94 4.52 0.00 1.73 1.63 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.46 7.81 43 P 0.00 4.23 0.00 2.24 1.90 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 44 E 8.13 4.10 0.00 2.08 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 2.28 2.26 0.00 45 I 7.54 3.87 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.95 0.00 0.00 46 I 7.58 4.01 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.89 0.00 0.00 47 K 7.97 4.65 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.62 1.35 7.81 48 G 8.83 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 49 S 8.03 4.10 0.00 3.89 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 50 R 7.92 3.93 0.00 1.88 1.95 0.00 3.30 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 51 K 8.16 3.91 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.70 7.81 52 R 8.07 3.90 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.09 7.55 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 R 7.86 3.86 0.00 1.90 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 54 I 8.13 3.66 1.99 0.00 0.00 0.84 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 0.78 0.90 0.00 0.00 55 A 8.11 3.92 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 56 A 8.10 4.17 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 57 G 8.20 3.68 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 0.00 0.00 0.00 58 S 7.77 4.73 0.00 4.04 4.05 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 59 G 7.62 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 *61 Q 7.30 4.09 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 62 V 8.56 3.58 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 0.90 0.00 0.00 0.93 0.00 0.00 63 Q 8.25 4.05 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 64 D 8.22 4.33 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.67 3.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 66 N 8.86 4.43 0.00 2.89 2.87 0.00 0.00 7.21 7.53 0.00 0.00 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 R 8.46 3.98 0.00 1.77 1.94 0.00 3.26 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 L 7.90 4.22 0.00 1.87 1.97 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.36 4.12 0.00 1.83 1.74 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.46 3.95 0.00 1.96 1.96 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 71 Q 7.73 4.11 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 72 F 8.28 3.18 0.00 2.07 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 73 D 7.94 4.16 0.00 3.07 2.76 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 0.00 0.00 0.00 0.00 74 D 7.94 4.38 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.40 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 7.36 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 77 R 8.27 4.06 0.00 1.84 1.89 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 *80 K 7.95 4.24 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 81 K 7.90 4.19 0.00 1.64 1.63 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.