NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4103 8.0427 120.6510 55.3156 42.6949 177.1508 10 Y 4.3812 8.0114 116.0552 57.6336 38.6543 175.2549 11 M 3.9571 8.1146 119.9177 57.6220 33.3724 177.2429 12 A 3.8989 7.7066 119.8960 55.0831 18.8256 179.3169 13 A 4.0637 8.5838 119.2470 54.6152 18.3446 179.4644 14 A 2.0000 7.5589 120.3423 54.4132 18.0258 179.9589 15 V 3.4848 7.6160 116.3863 65.9255 31.7454 177.8117 16 M 3.2033 8.5991 114.2314 59.9425 32.1567 177.5106 17 M 4.3888 8.8760 119.3563 56.9383 34.3173 180.1425 18 G 3.9989 9.8845 107.4589 47.7794 0.0000 175.3515 19 L 3.9919 7.7645 123.6591 57.3812 41.8461 178.4280 20 A 4.0069 8.5559 119.7225 55.6095 18.5967 179.5624 21 A 4.2332 9.0737 119.7566 54.9506 18.7564 180.0307 22 I 4.0847 8.4143 118.3967 64.1664 36.8561 178.9614 23 G 3.6093 8.2306 106.4434 47.9373 0.0000 174.5010 24 A 4.3300 8.9539 124.2834 51.5540 18.3973 178.4089 25 A 4.0879 8.2855 122.5138 54.6437 19.5197 180.1088 26 I 4.2352 7.6176 115.6634 60.4743 37.0781 176.3903 *52 Q 4.1352 7.6314 120.6867 55.8295 30.1048 175.1364 53 F 4.2060 8.9658 126.3537 59.5919 39.7405 175.3799 54 F 4.1891 8.1800 121.6605 60.8199 39.1295 175.6600 55 I 4.1389 6.8855 129.8026 62.0741 38.5354 174.5397 56 V 4.2476 7.4496 120.8131 63.0538 31.5610 177.7850 57 M 4.1973 7.8718 119.2933 57.6861 31.2670 178.6913 58 G 3.7506 8.1134 107.2667 47.5074 0.0000 173.5566 59 L 4.3405 7.5688 119.6250 56.0335 43.2328 177.3960 60 V 3.6083 7.7681 119.2981 66.0897 31.4903 176.9057 61 D 4.9576 8.5206 116.7716 54.2536 39.9781 177.0012 62 A 4.2872 8.4530 124.1404 54.5995 20.1044 181.6785 63 I 3.4063 7.2334 116.7850 63.2716 37.1331 175.0136 64 P 4.2905 0.0000 0.0000 63.9788 30.9693 180.8147 65 M 2.7241 7.1326 113.1685 55.7629 35.0034 178.6653 66 I 3.4713 8.4180 118.5260 64.6568 37.4982 178.0891 67 C 3.9170 8.3561 118.4876 62.5137 31.8176 176.2272 68 V 3.6651 8.1797 120.0238 65.3999 31.1660 178.1922 69 G 3.0179 7.4110 106.1779 46.2780 0.0000 175.1809 70 L 3.6782 6.9879 122.9411 57.7522 42.0713 178.5150 71 G 3.9663 7.5981 103.5149 44.6014 0.0000 174.6286 72 L 4.1816 7.9263 123.1374 56.6756 42.7095 178.3508 73 Y 2.3900 7.6129 116.9553 60.4112 37.3724 178.9695 74 V 3.3821 7.4426 118.4385 65.4469 31.7114 177.1248 75 M 3.9056 7.5008 118.5168 57.6085 32.5150 176.7862 76 F 4.8851 7.8243 111.8550 57.5704 39.7162 175.3909 77 A 4.6755 6.9854 124.1000 52.6590 18.5443 177.2626 78 V 4.2065 7.5946 109.5639 62.2829 32.5846 176.6708 79 A 4.2026 8.1625 127.8575 52.7237 18.1469 178.2572 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 9 L 8.04 4.41 0.00 1.78 1.75 0.95 0.49 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 10 Y 8.01 4.38 0.00 3.30 3.20 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 11 M 8.11 3.96 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 12 A 7.71 3.90 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 13 A 8.58 4.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.56 2.00 0.78 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 15 V 7.62 3.48 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 0.75 0.00 0.00 0.90 0.00 0.00 16 M 8.60 3.20 0.00 2.25 1.99 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 2.91 2.78 0.00 17 M 8.88 4.39 0.00 2.79 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 18 G 9.88 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 19 L 7.76 3.99 0.00 1.67 1.77 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.56 4.01 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 21 A 9.07 4.23 1.61 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 22 I 8.41 4.08 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.92 0.00 0.00 23 G 8.23 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 24 A 8.95 4.33 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.09 1.50 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 0.00 0.00 0.00 26 I 7.62 4.24 2.04 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 1.30 0.94 0.94 0.00 0.00 *52 Q 7.63 4.14 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 53 F 8.97 4.21 0.00 3.12 3.20 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 54 F 8.18 4.19 0.00 3.00 3.15 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 55 I 6.89 4.14 1.49 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.31 0.78 0.00 0.00 56 V 7.45 4.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 57 M 7.87 4.20 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.91 0.00 58 G 8.11 3.75 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 0.00 0.00 0.00 59 L 7.57 4.34 0.00 1.63 1.73 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.77 3.61 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 0.95 0.00 0.00 1.04 0.00 0.00 61 D 8.52 4.96 0.00 3.01 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 62 A 8.45 4.29 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 63 I 7.23 3.41 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.91 0.00 0.00 64 P 0.00 4.29 0.00 2.25 2.15 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 65 M 7.13 2.72 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.89 0.00 66 I 8.42 3.47 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.82 0.00 0.00 67 C 8.36 3.92 0.00 2.92 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 68 V 8.18 3.67 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 69 G 7.41 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 70 L 6.99 3.68 0.00 1.56 1.55 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.60 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 0.00 0.00 0.00 72 L 7.93 4.18 0.00 1.60 2.03 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.61 2.39 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 3.38 1.97 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 0.84 0.00 0.00 0.78 0.00 0.00 75 M 7.50 3.91 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.77 0.00 76 F 7.82 4.89 0.00 3.17 3.46 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 0.00 0.00 0.00 0.00 77 A 6.99 4.68 1.10 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 0.00 0.00 78 V 7.59 4.21 2.10 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 0.80 0.00 0.00 1.09 0.00 0.00 79 A 8.16 4.20 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.