NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3545 8.2027 119.6416 55.1518 31.7280 173.8539 2 V 3.8802 7.8941 120.6246 62.8766 31.9186 173.6138 3 Q 4.8092 10.1428 128.0539 54.1132 33.5276 174.1695 4 L 5.1969 8.4804 120.9418 53.1264 45.4140 175.9111 5 V 4.4053 8.7306 123.7844 61.1777 34.1486 174.5617 6 E 5.7477 9.0192 126.9064 54.9924 32.1749 174.6954 7 S 4.4612 8.5599 114.5818 58.3104 65.9305 175.2701 8 G 3.9935 9.3315 108.0823 45.1819 0.0000 174.1196 9 G 3.9124 7.6810 107.8119 44.5235 0.0000 174.2714 10 G 3.8758 7.5848 105.1463 45.9495 0.0000 171.3055 11 L 4.4786 8.3451 122.0397 53.8122 43.1926 177.4268 12 V 4.4909 7.9251 123.9687 59.7914 34.4795 174.8462 13 Q 4.1366 8.5795 121.8963 55.2781 29.2838 174.5151 14 P 4.4061 0.0000 0.0000 63.8438 31.8611 177.3653 15 G 3.8406 8.7428 108.0571 45.8710 0.0000 174.1220 16 G 3.9837 7.4504 108.4412 44.3901 0.0000 173.1108 17 S 4.7724 8.0182 113.4939 56.8926 66.5273 173.3383 18 L 4.3874 7.8989 121.5962 54.0414 44.5677 174.2941 19 R 4.4236 8.3748 124.2296 54.3999 31.9880 174.9192 20 L 4.5567 8.1087 125.3655 53.6438 43.3669 175.8949 21 S 5.0353 8.5967 115.4209 57.0199 66.9294 172.6595 22 C 5.1295 8.8363 120.6763 55.3230 46.2682 172.6235 23 A 4.4777 9.0228 129.9626 51.4305 19.3057 176.3628 24 T 5.2134 7.9741 112.7338 60.4138 72.0263 173.2493 25 S 4.2237 8.9940 115.2375 58.4723 66.5758 175.8807 26 G 4.0761 10.8797 107.8566 46.3285 0.0000 172.7032 27 F 4.7333 6.9498 111.8587 56.0244 40.2296 174.3579 28 T 4.1712 8.5924 118.1976 62.9079 67.4850 175.3092 29 F 4.2762 8.9095 129.5857 61.5048 39.5946 177.7134 30 T 3.9007 8.1197 109.5895 64.2615 68.5725 175.5795 31 D 4.3417 7.9703 120.9564 56.1983 41.0682 175.6694 32 Y 4.9497 7.6112 115.9032 56.0070 40.5818 175.5927 33 Y 4.5096 8.8070 119.5892 58.4474 39.1706 175.0249 34 M 4.9563 9.0788 121.1665 53.8050 36.0773 174.7912 35 S 5.4226 8.6891 117.0995 56.5719 67.4017 173.1743 36 W 4.9073 8.7836 120.5049 55.0258 32.1626 175.0371 37 V 5.0790 8.7010 123.1540 61.1584 34.5580 174.2822 38 R 4.8790 9.1310 121.6701 54.6456 33.6162 174.1120 39 Q 4.6979 8.4382 120.1688 54.0954 31.4298 172.7807 40 P 4.4906 0.0000 0.0000 61.2142 32.2801 174.4154 41 P 4.3296 0.0000 0.0000 64.4893 31.4797 177.0340 42 G 3.8971 9.0068 110.0756 45.6835 0.0000 172.3843 43 K 4.6146 7.8447 117.7893 53.6716 35.4692 175.5561 44 A 4.2845 8.2249 122.1922 51.7981 18.9231 177.4008 45 L 4.4007 8.3145 120.1182 55.0451 42.6880 176.4457 46 E 4.7289 9.4918 123.4782 53.9493 32.6612 174.5632 47 W 4.5839 9.1904 135.0000 57.7725 30.9626 175.3149 48 L 4.3062 9.3127 126.2069 53.6838 43.5220 176.9633 49 G 2.7765 5.3800 106.5002 44.0576 0.0000 170.1267 50 F 5.5823 7.2546 113.9679 55.2358 41.7541 173.6901 51 I 4.7820 8.8526 118.6703 59.2874 41.2297 175.5029 52 R 3.1250 8.3052 128.0130 55.4095 32.0859 174.3944 *521 N 5.1660 8.2107 115.8235 52.7563 38.3271 173.7257 522 K 3.9079 8.4803 118.2447 59.6040 32.3301 176.7038 523 A 4.1701 7.4730 124.7943 52.3994 18.1812 176.8214 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 Q 8.20 4.35 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 2 V 7.89 3.88 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 0.53 0.00 0.00 0.95 0.00 0.00 3 Q 10.14 4.81 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 4 L 8.48 5.20 0.00 1.43 1.50 0.89 0.74 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 5 V 8.73 4.41 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 0.99 0.00 0.00 0.93 0.00 0.00 6 E 9.02 5.75 0.00 1.98 2.03 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 2.27 2.16 0.00 7 S 8.56 4.46 0.00 3.87 3.98 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 0.00 0.00 0.00 8 G 9.33 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.58 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 0.00 0.00 0.00 11 L 8.35 4.48 0.00 1.59 1.56 0.91 0.80 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 12 V 7.93 4.49 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 0.76 0.00 0.00 0.91 0.00 0.00 13 Q 8.58 4.14 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 14 P 0.00 4.41 0.00 2.03 1.97 0.00 3.76 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 2.02 2.07 0.00 15 G 8.74 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.45 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.02 4.77 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.39 0.00 1.49 1.41 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.37 4.42 0.00 1.72 1.73 0.00 3.27 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 20 L 8.11 4.56 0.00 1.07 1.43 0.67 0.83 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 21 S 8.60 5.04 0.00 3.95 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 22 C 8.84 5.13 0.00 2.99 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 23 A 9.02 4.48 1.22 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 0.00 0.00 24 T 7.97 5.21 4.38 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 1.37 0.00 0.00 25 S 8.99 4.22 0.00 3.84 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 26 G 10.88 4.08 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 0.00 0.00 0.00 27 F 6.95 4.73 0.00 3.21 2.95 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 28 T 8.59 4.17 4.53 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 0.00 0.00 0.00 1.32 0.00 0.00 29 F 8.91 4.28 0.00 2.74 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 30 T 8.12 3.90 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 1.31 0.00 0.00 31 D 7.97 4.34 0.00 2.93 2.25 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 32 Y 7.61 4.95 0.00 2.85 2.82 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 33 Y 8.81 4.51 0.00 2.56 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.08 4.96 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.72 0.00 35 S 8.69 5.42 0.00 3.83 4.04 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 36 W 8.78 4.91 0.00 3.12 2.95 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 37 V 8.70 5.08 2.17 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 0.98 0.00 0.00 1.09 0.00 0.00 38 R 9.13 4.88 0.00 1.88 2.00 0.00 2.78 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 39 Q 8.44 4.70 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.55 0.00 40 P 0.00 4.49 0.00 2.23 1.95 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 41 P 0.00 4.33 0.00 2.04 2.03 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 42 G 9.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.61 0.00 1.84 1.74 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.35 7.81 44 A 8.22 4.28 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.31 4.40 0.00 1.60 1.69 0.96 0.85 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 46 E 9.49 4.73 0.00 1.99 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 2.29 2.30 0.00 47 W 9.19 4.58 0.00 3.33 3.14 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 0.00 0.00 0.00 0.00 48 L 9.31 4.31 0.00 1.54 1.48 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.38 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.25 5.58 0.00 3.20 3.36 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 51 I 8.85 4.78 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.49 1.00 0.00 0.00 52 R 8.31 3.13 0.00 1.52 1.27 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 *521 N 8.21 5.17 0.00 3.07 3.01 0.00 0.00 6.33 7.13 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 0.00 522 K 8.48 3.91 0.00 1.82 1.87 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 523 A 7.47 4.17 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.