NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.2539 8.0093 118.5524 59.9965 37.2949 175.2039 9 S 4.4840 8.4689 117.6246 54.6680 66.3233 174.5510 10 Y 4.2117 9.0623 126.4171 61.2404 38.7647 180.0730 11 A 3.9331 8.1184 120.7328 55.1949 18.6887 179.3652 12 A 3.9936 7.6385 118.3709 55.1339 18.3732 179.1536 13 Y 4.0488 8.6395 118.7534 60.5947 38.6904 177.5167 14 L 3.6405 7.3895 118.5345 56.9212 41.9287 178.5931 15 N 4.3419 7.9953 117.3990 56.7498 38.7016 177.1473 16 V 3.4919 7.4379 119.3990 65.7977 31.4370 177.6859 17 A 3.9452 7.4888 119.3723 53.9777 17.8849 178.2395 18 A 4.4190 7.5234 118.0655 52.1337 18.9898 177.5398 19 Q 4.4179 7.5942 115.2007 56.0074 31.0590 176.5465 20 A 4.1646 8.0670 123.9319 55.3987 19.1932 179.8738 21 I 4.0892 7.2930 111.8883 61.6432 35.3271 178.9120 22 R 4.5532 7.7634 118.5795 57.4393 31.7531 181.5031 23 S 4.3112 7.7810 114.2971 58.3973 64.9856 179.7236 *26 K 4.3939 8.1688 130.8982 54.3927 32.2897 173.8312 27 T 4.9161 8.2983 114.1060 65.1717 68.6794 175.8028 28 E 3.9451 7.8442 121.9289 58.5535 29.7935 178.4560 29 L 4.3877 7.9857 124.5831 54.5978 40.9530 179.4795 30 Q 4.5592 7.2041 120.2976 55.2358 30.6360 172.4667 31 T 4.1969 7.6847 117.2455 61.1146 68.5408 174.3823 32 A 3.9675 8.7562 125.8786 55.4252 18.4423 179.5344 33 S 4.1983 7.9586 107.6492 59.3384 63.4209 176.2664 34 V 3.5370 7.9937 122.7964 66.1547 31.3827 177.5126 35 L 4.4694 7.2586 116.7511 56.0643 39.8903 176.9354 36 N 4.9383 7.5055 115.1797 53.4909 40.6437 175.8511 37 R 4.0250 7.8936 117.5536 58.6055 30.2988 177.3647 38 S 4.3784 8.1768 114.7817 59.9965 63.6277 174.6056 39 Q 4.5324 7.9799 120.5950 54.0007 29.4900 180.2643 40 T 4.5698 8.1433 113.5906 58.5952 71.9894 172.7204 41 D 4.5805 8.5771 130.8126 52.9890 40.7893 176.6998 42 A 4.6806 7.1262 121.0723 50.0516 22.1550 176.7463 43 F 5.2649 8.8045 121.3173 55.7565 42.1119 174.3096 44 Y 4.6194 9.0639 123.5784 56.5484 39.5152 174.5246 45 T 4.7599 8.5539 121.0221 61.5074 70.3638 174.1979 46 Q 4.4753 8.7803 127.9824 56.4774 30.1562 174.6413 47 Y 4.8258 8.5837 122.8993 57.0981 42.1557 175.5005 48 K 4.5553 8.4897 128.1553 55.3951 36.1485 175.0025 49 N 4.0351 8.9150 121.1872 52.1243 35.0578 171.2160 *53 A 4.2349 7.6212 119.5590 52.3646 19.7764 177.2048 54 S 3.0637 8.1909 116.6669 58.4036 62.6294 172.7570 55 E 4.3642 7.4087 115.8877 54.1024 32.7345 175.9793 56 P 4.8646 0.0000 0.0000 60.7103 34.6523 175.1571 57 T 3.8333 8.1028 112.7329 61.4826 67.6274 171.6904 58 P 4.5666 0.0000 0.0000 63.4197 32.0501 176.0831 59 I 4.6110 7.8499 127.0369 58.9568 38.5458 172.4776 60 T 4.3570 8.7997 120.2346 62.0750 69.3222 175.6361 61 K 4.4180 8.1045 125.6056 55.5961 31.3634 177.3764 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 8 I 8.01 4.25 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 1.47 1.21 0.91 0.00 0.00 9 S 8.47 4.48 0.00 4.09 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 10 Y 9.06 4.21 0.00 3.08 3.08 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 0.00 0.00 0.00 11 A 8.12 3.93 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 12 A 7.64 3.99 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 13 Y 8.64 4.05 0.00 2.89 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.39 3.64 0.00 1.58 1.50 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.00 4.34 0.00 2.71 2.92 0.00 0.00 6.70 7.27 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 16 V 7.44 3.49 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 0.91 0.00 0.00 0.95 0.00 0.00 17 A 7.49 3.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.52 4.42 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 19 Q 7.59 4.42 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 20 A 8.07 4.16 1.25 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 0.00 0.00 21 I 7.29 4.09 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 1.16 0.73 0.91 0.00 0.00 22 R 7.76 4.55 0.00 1.77 1.80 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 23 S 7.78 4.31 0.00 3.54 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 *26 K 8.17 4.39 0.00 1.79 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 27 T 8.30 4.92 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 1.30 0.00 0.00 28 E 7.84 3.95 0.00 1.95 1.79 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 2.31 2.32 0.00 29 L 7.99 4.39 0.00 1.62 1.65 0.91 0.78 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 30 Q 7.20 4.56 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 31 T 7.68 4.20 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 1.20 0.00 0.00 32 A 8.76 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 33 S 7.96 4.20 0.00 4.01 4.11 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 34 V 7.99 3.54 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 0.95 0.00 0.00 0.92 0.00 0.00 35 L 7.26 4.47 0.00 1.96 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.51 4.94 0.00 2.79 2.84 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.89 4.02 0.00 1.79 2.21 0.00 3.22 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 38 S 8.18 4.38 0.00 3.88 3.88 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 0.00 0.00 0.00 0.00 39 Q 7.98 4.53 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.73 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 40 T 8.14 4.57 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 41 D 8.58 4.58 0.00 2.67 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 42 A 7.13 4.68 1.13 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 0.00 0.00 0.00 0.00 0.00 43 F 8.80 5.26 0.00 2.90 2.93 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 0.00 0.00 0.00 44 Y 9.06 4.62 0.00 3.09 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 45 T 8.55 4.76 4.45 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 0.00 0.00 0.00 1.38 0.00 0.00 46 Q 8.78 4.48 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 47 Y 8.58 4.83 0.00 2.77 2.81 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 48 K 8.49 4.56 0.00 1.37 1.51 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.27 7.81 49 N 8.92 4.04 0.00 2.82 2.73 0.00 0.00 6.76 7.46 0.00 0.00 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 A 7.62 4.23 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 54 S 8.19 3.06 0.00 2.92 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.41 4.36 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.82 0.00 56 P 0.00 4.86 0.00 2.10 2.07 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 57 T 8.10 3.83 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 58 P 0.00 4.57 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 59 I 7.85 4.61 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 1.09 0.80 0.91 0.00 0.00 60 T 8.80 4.36 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 61 K 8.10 4.42 0.00 1.58 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.