NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4245 8.4045 118.7936 54.2948 32.6634 174.8534 5 K 4.9326 8.4201 126.6204 50.7350 36.3848 167.3750 6 E 4.7685 9.6770 116.3222 56.4291 34.1240 173.1742 7 L 5.1983 8.4223 120.6321 53.2297 44.8463 175.4884 8 V 4.5658 8.9286 125.4252 61.0967 34.7388 173.8787 9 E 5.3837 8.8169 125.8438 54.7848 32.6748 175.0002 10 M 4.9513 9.0388 120.0946 53.5578 35.3229 173.6388 11 A 5.0169 8.5489 122.0070 50.7932 20.9028 176.7009 12 V 4.3828 8.6972 121.9766 60.1012 34.9558 173.0831 13 P 4.7827 0.0000 0.0000 62.2953 31.6414 176.8809 14 E 3.8486 9.6911 125.0844 59.7610 29.1857 178.9946 15 N 4.4178 8.2592 115.1158 55.5044 38.8296 175.8488 16 L 4.6476 7.9556 117.6379 54.1002 43.1725 178.2414 17 V 3.7371 7.5377 118.1285 66.1579 31.2622 177.9691 18 G 3.6648 8.1600 104.4781 47.4852 0.0000 175.3187 19 A 4.1248 8.0927 122.7919 54.9748 18.2943 179.3055 20 I 3.9466 7.6109 117.8755 63.9195 37.4959 178.4206 21 L 3.8356 7.8445 119.9980 56.8374 41.7730 178.7388 22 G 4.2502 8.2403 106.2673 45.7912 0.0000 173.0823 23 K 3.8913 8.3088 119.5172 55.9988 31.5004 177.2339 24 G 3.9542 8.9646 113.0907 44.1990 0.0000 173.8690 25 G 4.1475 7.8437 108.4979 45.2879 0.0000 175.8545 26 K 3.9724 8.0794 122.4472 59.9307 32.2824 179.4417 27 T 3.5372 7.7177 116.9008 66.2390 68.4638 176.3707 28 L 3.7811 7.1769 122.5082 57.9748 42.0353 179.1813 29 V 3.5656 7.6449 118.2192 66.0483 31.4319 177.7193 30 E 4.0101 8.3426 119.2131 59.4545 29.4479 178.3723 31 Y 4.4379 8.2247 117.2072 61.0811 37.7671 178.4381 32 Q 4.2800 8.0358 120.1247 58.6041 28.6309 178.6087 33 E 4.0125 8.0694 118.5268 59.1986 29.5128 179.1843 34 L 4.1764 8.1182 118.8751 57.8094 41.8411 178.9353 35 T 4.2918 7.9335 108.1482 61.8382 69.3412 176.0284 36 G 3.8210 8.4269 108.1380 45.2397 0.0000 172.5061 37 A 4.8701 7.7185 120.7365 50.1709 21.9063 176.8843 38 R 4.6024 8.6805 118.8821 55.1277 32.2877 175.8567 39 I 5.0470 8.2985 122.8211 59.7117 40.4159 174.7521 40 Q 4.7144 9.5362 125.8880 54.0742 32.4278 174.3945 41 I 4.6637 8.5686 123.3111 59.9077 39.2701 175.8073 42 S 3.7047 9.1936 118.3615 55.8787 65.0909 175.2108 *52 R 4.4238 8.2703 128.7711 57.2233 30.8664 173.3724 53 N 5.3257 7.8271 115.8768 51.9681 41.2796 173.7785 54 R 4.6786 9.0457 119.7439 54.4014 34.2472 174.7877 55 R 4.7059 9.2517 122.9107 55.5101 31.8662 175.0580 56 V 4.7567 9.0728 126.7410 61.5458 33.9766 174.1989 57 T 5.0868 9.2644 124.8285 61.8401 71.2316 173.1172 58 I 5.1223 8.9016 127.8193 59.6845 40.0005 174.8556 59 T 5.0042 10.2111 117.2341 59.7456 72.4614 175.1652 60 G 3.9965 7.7157 108.9570 45.0085 0.0000 172.8599 61 S 4.7359 8.1285 115.3918 57.4751 65.2425 172.9938 62 P 4.2033 0.0000 0.0000 65.9911 31.1631 178.8932 63 A 3.9981 7.9772 118.6583 54.9370 18.3734 179.3761 64 A 3.9365 8.0874 119.3642 55.7148 18.4850 180.0075 65 T 3.8565 8.1158 114.3676 66.7180 68.3767 176.7516 66 Q 3.9521 8.0972 121.1051 58.9835 29.0282 178.0271 67 A 3.9828 7.9822 121.5115 55.1834 18.4867 179.4484 68 A 3.8614 8.0666 119.2841 55.3557 18.3916 179.6898 69 Q 3.9196 8.2849 118.1317 59.3463 29.0817 177.7719 70 Y 3.9596 8.2937 120.8201 60.6057 38.8941 177.8818 71 L 3.6008 8.0237 120.0741 57.7248 41.5464 179.5782 72 I 3.7931 7.6469 119.5587 64.6258 36.8471 178.5981 73 S 4.0486 8.0422 115.0315 61.7265 62.6674 176.5602 74 Q 3.9404 7.5140 119.8531 58.7539 28.4456 178.8069 75 R 4.0410 7.6091 117.9941 59.2274 30.3295 177.4918 76 V 3.8756 7.7178 120.9916 63.4970 31.6589 175.3133 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 4 M 8.40 4.42 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 5 K 8.42 4.93 0.00 1.57 1.58 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.07 7.81 6 E 9.68 4.77 0.00 1.93 2.05 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 2.32 2.26 0.00 7 L 8.42 5.20 0.00 1.63 1.54 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.93 4.57 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 1.03 0.00 0.00 0.94 0.00 0.00 9 E 8.82 5.38 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 10 M 9.04 4.95 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 11 A 8.55 5.02 1.24 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 0.00 0.00 0.00 12 V 8.70 4.38 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 0.97 0.00 0.00 0.93 0.00 0.00 13 P 0.00 4.78 0.00 2.11 1.97 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 E 9.69 3.85 0.00 2.06 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 0.00 2.31 2.41 0.00 15 N 8.26 4.42 0.00 2.73 2.88 0.00 0.00 6.72 7.85 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 16 L 7.96 4.65 0.00 1.60 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.54 3.74 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 1.00 0.00 0.00 0.95 0.00 0.00 18 G 8.16 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.61 3.95 1.98 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 1.68 0.85 0.94 0.00 0.00 21 L 7.84 3.84 0.00 1.68 1.66 0.90 0.88 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 22 G 8.24 4.25 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 0.00 23 K 8.31 3.89 0.00 1.69 1.76 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.03 7.81 24 G 8.96 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.84 4.15 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 0.00 26 K 8.08 3.97 0.00 1.90 2.05 0.00 1.29 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.41 7.81 27 T 7.72 3.54 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 28 L 7.18 3.78 0.00 1.83 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.64 3.57 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 0.98 0.00 0.00 0.98 0.00 0.00 30 E 8.34 4.01 0.00 2.06 1.99 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 2.46 2.41 0.00 31 Y 8.22 4.44 0.00 2.95 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 32 Q 8.04 4.28 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 33 E 8.07 4.01 0.00 1.99 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 2.36 2.69 0.00 34 L 8.12 4.18 0.00 1.81 1.75 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.93 4.29 4.41 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 1.27 0.00 0.00 36 G 8.43 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 0.00 0.00 0.00 37 A 7.72 4.87 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 38 R 8.68 4.60 0.00 1.78 1.85 0.00 3.08 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 39 I 8.30 5.05 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.95 0.00 0.00 40 Q 9.54 4.71 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 41 I 8.57 4.66 1.87 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 1.34 0.83 0.91 0.00 0.00 42 S 9.19 3.70 0.00 3.86 3.22 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 0.00 *52 R 8.27 4.42 0.00 1.53 1.93 0.00 3.23 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 53 N 7.83 5.33 0.00 2.63 2.74 0.00 0.00 6.72 7.66 0.00 0.00 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 R 9.05 4.68 0.00 1.68 1.78 0.00 3.42 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 55 R 9.25 4.71 0.00 1.85 1.79 0.00 3.06 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 56 V 9.07 4.76 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 57 T 9.26 5.09 4.25 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 1.22 0.00 0.00 58 I 8.90 5.12 1.89 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 1.31 0.87 0.93 0.00 0.00 59 T 10.21 5.00 4.25 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 1.22 0.00 0.00 60 G 7.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.74 0.00 4.06 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 62 P 0.00 4.20 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 63 A 7.98 4.00 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 64 A 8.09 3.94 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 65 T 8.12 3.86 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 1.25 0.00 0.00 66 Q 8.10 3.95 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 67 A 7.98 3.98 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 68 A 8.07 3.86 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 69 Q 8.28 3.92 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 70 Y 8.29 3.96 0.00 3.17 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 71 L 8.02 3.60 0.00 1.28 0.56 0.53 0.97 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 72 I 7.65 3.79 2.00 0.00 0.00 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 1.87 0.95 0.94 0.00 0.00 73 S 8.04 4.05 0.00 3.84 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 74 Q 7.51 3.94 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 1.44 2.10 0.00 75 R 7.61 4.04 0.00 2.03 2.03 0.00 3.49 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 76 V 7.72 3.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.