NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3171 8.1233 123.5825 51.9016 19.9910 175.1452 3 T 4.5103 8.1465 115.8389 62.7429 69.7031 173.0573 4 F 5.3267 9.9285 130.1868 57.0191 42.0186 174.1385 5 Q 5.1437 7.8535 122.1959 54.4533 33.2371 173.8720 6 T 4.0854 7.6721 112.4527 62.3351 69.9183 173.1162 7 D 4.6449 9.1865 126.4298 54.6282 41.9559 176.3627 8 A 4.6825 7.6488 122.0042 50.1381 20.5993 176.3407 9 D 4.6537 8.4355 120.9524 55.2599 41.9178 175.1544 10 F 4.7700 7.5631 113.6869 56.8780 41.2665 172.7832 11 L 5.2259 9.5099 117.9971 53.1059 45.8631 175.9181 12 L 5.2740 9.1300 121.3093 53.1482 44.5328 175.6766 13 V 5.4621 8.3149 124.5561 60.3861 34.1178 174.5965 14 G 5.1287 8.4001 112.6072 46.7277 0.0000 173.3782 15 D 4.6542 9.4757 120.1587 55.1873 41.2144 176.6329 16 D 4.5545 8.0541 117.4486 52.8016 42.4123 174.2692 17 T 2.7034 7.8887 115.3447 60.4562 69.1198 176.6952 18 S 4.1960 8.1483 117.9415 60.8309 62.9726 175.0847 19 R 4.6007 7.8674 117.7856 55.6430 31.8744 176.6069 20 Y 4.0757 8.1791 117.0166 61.3182 37.5764 178.2590 21 E 3.9670 8.0126 117.7097 59.3536 29.9169 177.9246 22 E 4.1665 8.1273 117.2836 59.1512 30.1963 179.6249 23 V 3.8551 8.0023 118.0694 62.9622 30.5545 177.6665 *25 K 4.3846 8.1608 119.8236 56.1266 33.7806 177.7627 26 T 3.7352 7.8945 106.6311 62.5950 69.1644 174.2298 27 F 4.6633 7.8284 122.9610 55.8428 39.3085 176.2389 28 D 4.6455 8.8019 126.0549 55.1207 39.6280 177.2482 29 T 4.2516 7.9749 110.3050 63.3932 69.7559 174.6389 30 V 4.0170 7.7922 122.8922 62.9529 31.6742 175.3826 31 E 4.4630 9.2875 128.7484 58.1437 31.2557 175.2241 32 A 4.9184 7.5266 118.4625 51.0299 23.0863 174.8489 33 V 4.8054 8.1198 117.5963 61.5966 35.1296 174.5313 34 R 4.6861 8.3546 125.8477 54.6027 33.4701 174.0111 35 K 3.2763 8.1645 126.0121 56.0251 33.4892 176.8838 36 S 4.1574 8.3426 118.5424 58.3466 62.8761 174.2094 37 D 4.4743 8.4845 126.5107 56.8133 41.0405 177.7689 38 L 4.1246 7.8042 118.2962 57.0191 42.1652 176.8338 39 D 4.4669 7.7252 118.0088 53.0721 43.3480 175.1855 40 D 4.3081 8.9111 127.5588 57.4590 41.0843 177.7439 41 R 4.4735 8.1821 115.4843 55.6426 30.4062 175.5019 42 V 4.9761 7.9788 119.4575 61.7270 34.4755 174.3461 43 Y 5.0657 8.3893 123.0637 55.8933 42.6365 173.6179 *45 V 3.9496 8.3168 120.2913 63.9307 32.9710 175.2020 46 C 5.0411 8.4076 126.2214 58.0338 30.1272 173.6647 47 L 4.7763 9.4909 124.8638 53.7279 42.5010 177.1406 48 K 4.6403 8.9709 121.5582 55.6565 33.0455 177.0899 49 Q 3.8892 8.6968 124.2230 57.8341 29.5403 176.7866 50 G 4.2385 8.9795 114.9110 45.9180 0.0000 174.4049 51 S 4.2729 7.6626 114.0212 59.0715 63.3672 173.8849 52 T 4.6048 8.0884 118.1347 61.5391 71.4914 173.6082 53 F 4.2994 9.0664 130.4129 58.2734 40.4016 174.3756 54 V 4.6159 7.6155 118.7217 59.3539 35.1787 175.2979 55 L 4.3249 8.8142 126.3143 53.3599 43.8238 176.4707 56 N 4.3293 8.5526 123.9063 55.7590 38.6156 177.5707 57 G 3.7530 8.7130 103.3550 45.4471 0.0000 175.2725 58 G 4.2169 7.5875 109.4388 44.8599 0.0000 174.3187 59 I 3.6525 8.1162 117.8360 64.4797 36.8907 178.1396 60 E 4.1109 8.1012 119.0721 59.1642 29.2925 178.7483 61 E 3.9332 7.9908 119.6581 59.1984 29.6855 178.7239 62 L 4.0283 7.7653 119.8980 58.1663 42.2024 178.8441 63 R 4.0148 8.4919 118.4870 59.1571 29.7526 178.8186 64 L 3.9638 8.0267 119.4535 58.1810 42.2032 178.7300 65 L 4.1805 7.8798 117.8129 57.9961 41.6089 179.3951 66 T 4.1134 8.0893 115.3744 65.9237 68.4905 176.2178 67 G 3.8606 9.2718 107.1002 45.4817 0.0000 172.7497 68 D 4.5922 7.7975 118.6113 52.2974 43.0516 175.1415 69 S 4.3859 8.7364 122.0536 60.3367 63.7369 175.6112 70 T 4.0281 8.4776 111.7230 64.0637 68.9196 174.7176 71 L 4.0671 7.2099 121.2593 54.0340 42.9727 175.5555 72 E 4.6886 9.0436 124.5548 54.8959 33.7051 173.5496 73 I 4.8431 8.1724 126.3068 59.8914 38.7797 174.9125 74 Q 4.8970 8.8357 125.7453 51.8779 33.0241 176.4337 75 P 5.0392 0.0000 0.0000 62.3373 30.5627 179.1272 *77 I 3.9762 8.2421 115.4340 60.9712 37.9107 174.7415 78 V 4.4987 7.8589 116.3290 58.8371 34.2992 174.7721 79 P 4.5314 0.0000 0.0000 64.2243 31.1446 176.6812 80 T 4.4875 7.6860 107.9236 61.9358 69.3542 174.6175 81 T 4.1966 7.6211 124.6851 64.2473 69.6971 173.4556 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 2 A 8.12 4.32 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 3 T 8.15 4.51 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 1.20 0.00 0.00 4 F 9.93 5.33 0.00 2.97 2.88 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 5 Q 7.85 5.14 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 6 T 7.67 4.09 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 0.91 0.00 0.00 7 D 9.19 4.64 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.65 0.00 2.54 2.65 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 10 F 7.56 4.77 0.00 3.14 3.05 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 0.00 0.00 0.00 11 L 9.51 5.23 0.00 1.65 1.74 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.13 5.27 0.00 1.82 1.70 0.58 0.70 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 13 V 8.31 5.46 2.14 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 1.16 0.00 0.00 1.00 0.00 0.00 14 G 8.40 5.13 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 0.00 15 D 9.48 4.65 0.00 2.65 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 16 D 8.05 4.55 0.00 2.58 2.59 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 0.00 0.00 0.00 17 T 7.89 2.70 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 0.59 0.00 0.00 18 S 8.15 4.20 0.00 4.01 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 19 R 7.87 4.60 0.00 2.10 2.01 0.00 3.34 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 20 Y 8.18 4.08 0.00 2.40 2.55 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 21 E 8.01 3.97 0.00 2.05 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 2.38 2.51 0.00 22 E 8.13 4.17 0.00 2.04 2.16 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 2.33 2.40 0.00 23 V 8.00 3.86 2.32 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 1.10 0.00 0.00 1.05 0.00 0.00 *25 K 8.16 4.38 0.00 2.13 1.92 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.64 7.81 26 T 7.89 3.74 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 1.14 0.00 0.00 27 F 7.83 4.66 0.00 3.21 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 28 D 8.80 4.65 0.00 2.80 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 29 T 7.97 4.25 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 1.33 0.00 0.00 30 V 7.79 4.02 2.39 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 0.74 0.00 0.00 1.04 0.00 0.00 31 E 9.29 4.46 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 32 A 7.53 4.92 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 33 V 8.12 4.81 2.15 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 1.07 0.00 0.00 0.94 0.00 0.00 34 R 8.35 4.69 0.00 1.84 1.61 0.00 3.19 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 35 K 8.16 3.28 0.00 1.31 0.74 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.19 7.81 36 S 8.34 4.16 0.00 3.77 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 37 D 8.48 4.47 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.12 0.00 1.61 1.70 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.73 4.47 0.00 2.65 2.47 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 40 D 8.91 4.31 0.00 2.67 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 41 R 8.18 4.47 0.00 1.93 2.07 0.00 3.20 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 42 V 7.98 4.98 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 1.11 0.00 0.00 0.97 0.00 0.00 43 Y 8.39 5.07 0.00 3.16 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 *45 V 8.32 3.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.69 0.00 0.00 46 C 8.41 5.04 0.00 2.86 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 47 L 9.49 4.78 0.00 1.49 1.63 1.12 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.97 4.64 0.00 1.72 1.77 0.00 1.97 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.26 7.81 49 Q 8.70 3.89 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 50 G 8.98 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 0.00 0.00 0.00 0.00 51 S 7.66 4.27 0.00 4.06 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 52 T 8.09 4.60 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 1.25 0.00 0.00 53 F 9.07 4.30 0.00 3.22 2.98 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 54 V 7.62 4.62 1.93 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 0.72 0.00 0.00 0.79 0.00 0.00 55 L 8.81 4.32 0.00 1.33 1.55 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.55 4.33 0.00 2.79 2.87 0.00 0.00 7.51 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 57 G 8.71 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 58 G 7.59 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 0.00 0.00 0.00 0.00 59 I 8.12 3.65 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 -0.01 0.77 0.00 0.00 60 E 8.10 4.11 0.00 2.05 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 2.39 2.40 0.00 61 E 7.99 3.93 0.00 2.03 2.27 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 2.41 2.39 0.00 62 L 7.77 4.03 0.00 1.82 1.77 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.49 4.01 0.00 2.02 2.05 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 64 L 8.03 3.96 0.00 1.72 1.92 0.93 1.15 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 65 L 7.88 4.18 0.00 1.98 1.79 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.09 4.11 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 67 G 9.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.80 4.59 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.39 0.00 4.03 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 70 T 8.48 4.03 4.27 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 1.26 0.00 0.00 71 L 7.21 4.07 0.00 1.91 1.72 0.52 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.04 4.69 0.00 2.05 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 73 I 8.17 4.84 1.44 0.00 0.00 0.57 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 0.55 0.47 0.00 0.00 74 Q 8.84 4.90 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 75 P 0.00 5.04 0.00 2.22 1.37 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 *77 I 8.24 3.98 1.88 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 1.43 0.57 0.92 0.00 0.00 78 V 7.86 4.50 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 0.84 0.00 0.00 0.94 0.00 0.00 79 P 0.00 4.53 0.00 2.17 2.16 0.00 3.74 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 1.98 1.95 0.00 80 T 7.69 4.49 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 81 T 7.62 4.20 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 * Residues marked with a * may have inaccurate shift predictions.