NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3667 8.1233 123.5838 51.7741 19.8355 177.5733 5 L 3.8552 8.5438 124.1381 57.6030 41.6211 177.8937 6 L 3.9575 8.7224 119.8065 57.8314 42.0415 179.4204 7 R 3.9995 7.9267 117.4723 59.3479 30.1911 178.8661 8 Q 3.9645 8.1242 117.6154 58.8358 28.6880 178.6471 9 A 3.6445 8.6566 122.6609 55.2562 18.4984 178.7880 10 Y 4.0545 8.2569 118.1094 61.0943 38.6621 178.5736 11 S 3.9553 8.4334 114.4913 61.6526 63.1013 176.4317 12 A 4.0528 8.1884 122.1443 54.2469 18.2495 177.9671 13 L 4.2574 7.7049 115.1311 56.5778 42.8515 178.1027 14 F 5.0420 7.1531 113.5053 58.7635 39.0724 176.9113 15 R 3.6511 7.1259 121.4621 58.5348 30.5308 176.4531 16 R 4.1418 7.5757 116.2744 56.0046 31.6934 177.1625 17 T 3.9477 8.7851 123.4180 66.9046 68.4051 176.4467 18 S 4.1640 8.0500 115.7780 61.8640 63.1188 176.6817 19 T 3.9783 7.9042 113.3901 63.9520 68.6471 176.1407 20 F 4.1815 8.2800 123.5839 61.0296 39.3914 177.0155 21 A 4.1838 8.2157 120.2906 54.9952 18.1709 179.3543 22 L 3.9506 8.0581 118.9311 58.5772 42.0529 179.4170 23 T 3.8414 8.1038 115.9762 66.3699 68.2481 177.0064 24 V 3.4929 7.4638 119.8831 65.8588 31.4605 178.1734 25 V 3.5575 7.9002 118.0693 65.9821 31.5346 177.6796 26 L 4.0300 8.3676 120.4135 58.2132 41.7991 179.4028 27 G 3.6113 8.4803 105.9567 47.5024 0.0000 175.7141 28 A 4.0437 8.2208 123.3580 54.9763 17.9973 179.7149 29 V 3.5959 8.0432 117.0165 66.3564 31.6611 178.2887 30 L 4.1346 7.9070 118.0882 57.5244 41.5105 179.1320 31 F 4.1700 8.6153 121.0214 61.2478 39.2991 176.5303 32 E 3.9358 8.8510 119.4036 59.1947 29.3457 178.3616 33 R 3.8404 7.7324 117.1727 59.6841 30.1381 178.2951 34 A 3.9168 7.8040 119.5412 55.1779 18.4331 179.3278 35 F 3.8403 8.3777 119.5147 61.3652 39.2038 176.9953 36 D 4.1332 8.5090 118.8493 57.4269 40.6425 178.3608 37 Q 4.0369 7.7889 118.6701 59.1878 28.6933 179.9830 38 G 3.4214 7.9836 105.9024 47.7241 0.0000 175.5573 39 A 3.8084 7.5553 123.9619 54.7550 18.2866 179.4277 40 D 4.3574 8.3170 117.5019 57.2914 40.8762 178.7588 41 A 3.9964 8.0757 121.4015 55.3551 18.3617 179.7316 42 I 3.6230 7.9815 118.3849 64.5270 36.9905 178.4001 43 F 4.0097 8.4549 120.4455 61.5170 39.6023 176.7564 44 E 4.1018 8.6121 118.2782 59.3421 29.0064 178.8493 45 H 4.1255 7.9926 117.7300 59.1606 30.1487 177.0103 46 L 4.1579 7.8523 118.1789 56.0744 41.9518 176.6940 47 N 4.9747 7.7987 117.1358 51.9518 39.6527 174.4598 48 E 3.8843 8.2994 117.0910 58.0099 30.1753 177.6674 49 G 4.0262 8.6364 109.7466 46.3214 0.0000 173.9898 50 K 4.3922 7.8688 119.4615 56.8612 33.7565 177.2371 51 L 4.4126 7.4482 118.0580 53.4604 42.8552 177.3031 52 W 4.2833 8.9907 130.9539 60.7179 30.2532 177.9654 53 K 3.8050 8.2659 118.1531 60.0693 31.4822 177.9628 54 H 4.4058 8.0320 115.4621 58.8101 29.1291 177.4171 55 I 3.7782 7.5409 113.1466 61.9919 37.9417 177.4093 56 K 2.4800 7.5650 123.0219 59.6283 30.6197 177.5478 57 H 4.0642 7.8699 114.5098 58.9214 27.8119 177.3353 58 K 3.8642 7.4737 120.0834 58.4118 31.7976 177.1330 59 Y 4.4365 6.9504 110.7715 57.4688 39.5103 175.4985 60 E 4.2679 7.8767 120.9727 56.0710 28.7268 175.2138 61 A 4.8362 7.8593 128.8050 51.6108 19.4509 175.5717 62 S 3.9204 7.9082 117.9028 61.3688 64.0191 176.1839 *63 E 4.1354 7.8488 122.6413 55.1386 30.1640 177.7729 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 A 8.12 4.37 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 5 L 8.54 3.86 0.00 1.81 1.74 0.94 0.36 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 6 L 8.72 3.96 0.00 1.73 1.79 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.93 4.00 0.00 2.01 2.01 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 8 Q 8.12 3.96 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 9 A 8.66 3.64 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.26 4.05 0.00 3.27 3.27 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 11 S 8.43 3.96 0.00 3.84 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 12 A 8.19 4.05 1.23 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 0.00 0.00 0.00 13 L 7.70 4.26 0.00 0.49 1.38 0.62 0.90 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 14 F 7.15 5.04 0.00 3.09 3.21 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 0.00 0.00 0.00 0.00 15 R 7.13 3.65 0.00 1.38 1.67 0.00 3.09 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.00 16 R 7.58 4.14 0.00 1.90 1.77 0.00 3.25 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 17 T 8.79 3.95 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 1.17 0.00 0.00 18 S 8.05 4.16 0.00 4.06 4.14 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 19 T 7.90 3.98 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 1.20 0.00 0.00 20 F 8.28 4.18 0.00 3.25 3.24 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 21 A 8.22 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.95 0.00 1.90 1.79 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.10 3.84 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 1.19 0.00 0.00 24 V 7.46 3.49 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 1.05 0.00 0.00 0.83 0.00 0.00 25 V 7.90 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 26 L 8.37 4.03 0.00 1.82 1.69 0.93 1.40 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 G 8.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.04 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 29 V 8.04 3.60 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 1.05 0.00 0.00 1.01 0.00 0.00 30 L 7.91 4.13 0.00 1.81 1.74 0.97 1.11 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 31 F 8.62 4.17 0.00 3.20 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 32 E 8.85 3.94 0.00 2.26 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 2.63 2.42 0.00 33 R 7.73 3.84 0.00 2.08 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 34 A 7.80 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 35 F 8.38 3.84 0.00 1.88 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 36 D 8.51 4.13 0.00 2.66 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 37 Q 7.79 4.04 0.00 2.12 2.14 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 2.37 2.46 0.00 38 G 7.98 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 0.00 0.00 0.00 39 A 7.56 3.81 0.95 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 40 D 8.32 4.36 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.62 2.04 0.00 0.00 0.83 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 0.70 0.94 0.00 0.00 43 F 8.45 4.01 0.00 3.05 3.26 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 44 E 8.61 4.10 0.00 2.11 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 2.48 2.75 0.00 45 H 7.99 4.13 0.00 3.16 3.45 0.00 5.76 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 46 L 7.85 4.16 0.00 1.59 1.57 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.80 4.97 0.00 2.50 2.55 0.00 0.00 6.89 7.41 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 48 E 8.30 3.88 0.00 1.86 1.82 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 2.38 2.15 0.00 49 G 8.64 4.03 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 0.00 0.00 0.00 50 K 7.87 4.39 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.62 7.81 51 L 7.45 4.41 0.00 1.44 1.58 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.99 4.28 0.00 3.40 3.13 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 53 K 8.27 3.81 0.00 1.84 1.82 0.00 1.88 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.59 7.81 54 H 8.03 4.41 0.00 3.29 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.54 3.78 1.89 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.37 0.93 0.00 0.00 56 K 7.56 2.48 0.00 0.79 1.38 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.20 7.81 57 H 7.87 4.06 0.00 3.35 3.50 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.47 3.86 0.00 0.79 1.11 0.00 1.53 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.30 7.81 59 Y 6.95 4.44 0.00 3.04 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 60 E 7.88 4.27 0.00 2.01 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 2.31 2.29 0.00 61 A 7.86 4.84 1.23 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 0.00 0.00 0.00 62 S 7.91 3.92 0.00 4.01 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 *63 E 7.85 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.