NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6815 8.2516 120.0787 55.4781 34.2498 173.4220 2 Q 4.3415 8.7114 121.5447 54.9207 33.1662 173.8214 3 R 5.1888 8.2143 120.3593 54.9393 34.5072 174.9695 4 G 4.2516 8.5785 106.9883 46.0401 0.0000 171.4772 5 K 5.1624 8.2699 120.1593 54.0442 35.6904 176.3336 6 V 3.6992 8.5705 127.5315 63.4417 31.8004 176.4843 7 K 4.2544 9.0582 130.8682 59.0973 32.7563 176.7504 8 W 5.0180 7.8110 113.8017 56.0422 31.1460 173.3089 9 F 4.5624 8.9922 122.8696 57.1902 42.0844 172.5862 10 N 4.9576 8.3634 126.1859 51.9324 39.7043 175.0727 11 N 4.6693 8.9738 123.8890 54.3376 38.2493 175.9816 12 E 4.0253 8.2429 119.9368 59.1359 30.0004 177.7295 13 K 3.9137 8.4299 117.1242 57.3784 32.3857 178.2726 14 G 3.9444 9.5433 107.3057 45.4009 0.0000 171.8025 15 Y 4.7512 5.9422 116.5647 55.8093 41.8905 173.2515 16 G 2.7991 6.9767 103.0948 45.7177 0.0000 172.3049 17 F 5.0063 6.8499 117.5662 55.5866 43.5222 174.1968 18 I 4.6216 8.5581 123.0812 59.5545 39.2550 174.7755 19 E 4.7856 9.5689 126.3971 55.9845 31.0491 176.0435 20 V 4.8784 8.4407 117.7937 59.9393 35.3926 175.7791 *21 E 4.0572 8.9554 119.7658 56.6176 30.4021 177.8822 22 G 3.9844 8.7586 113.6289 44.9957 0.0000 172.5028 23 G 4.0278 7.3696 104.1825 44.7198 0.0000 173.5538 24 S 4.4326 8.5385 115.6512 57.8622 63.5456 174.3546 25 D 4.8148 8.5390 122.1851 54.8963 41.7046 176.0062 26 V 4.5409 8.7001 121.2782 60.7477 34.0897 174.7122 27 F 3.5729 9.0614 130.6037 58.4284 40.6844 173.9621 28 V 4.3384 7.2698 124.6212 60.1041 34.1983 174.0839 29 H 5.2917 8.5031 124.7842 53.9756 32.1836 175.4927 30 F 4.4111 8.7939 118.4062 59.8510 37.8767 177.6404 31 T 3.6297 6.9052 109.9312 63.4987 68.8723 174.8625 32 A 4.2336 7.8826 124.9531 53.4387 19.1937 177.3935 33 I 4.2773 7.4205 117.4940 61.3095 37.6734 175.8233 34 Q 4.3868 8.7441 124.3175 55.5293 30.0523 176.2128 35 G 4.0660 8.6470 107.1866 45.1182 0.0000 174.7703 36 E 3.8042 8.6832 120.4438 58.8147 29.6567 178.0020 37 G 3.7471 7.0784 106.8125 44.9142 0.0000 172.9261 38 F 4.2493 8.1414 117.7387 57.9273 39.4507 176.9882 39 K 4.3611 8.4741 125.0066 55.3158 30.4315 175.6500 40 T 4.4988 7.3718 114.5844 60.0846 71.1629 172.3138 41 L 4.8241 7.1739 123.1562 52.7008 45.8825 175.7236 42 E 4.7857 8.5630 117.2027 53.8177 32.4917 174.9610 43 E 4.0942 8.8443 120.7055 58.4486 29.8241 177.5287 44 G 3.9919 9.1329 114.8438 45.0916 0.0000 173.4212 45 Q 4.1120 7.9131 122.2593 56.1374 30.1389 175.3412 46 A 4.6948 8.6391 128.3727 52.1408 19.9475 176.5003 47 V 5.5207 8.9820 114.1129 58.9372 36.8057 174.4391 48 S 5.4914 8.3603 117.1982 57.1284 66.0845 172.7354 49 F 5.3959 8.4998 115.6031 57.5169 41.2712 171.6972 50 E 4.7850 9.1395 119.8180 54.3667 32.4145 174.4404 51 I 4.8933 8.1841 126.7124 60.4289 38.4501 175.4681 52 V 4.5969 8.9405 119.8636 59.6119 35.9487 174.4532 53 Q 4.8089 8.7293 121.7414 54.6954 30.2846 175.3620 54 G 4.3588 8.7052 115.3607 43.5361 0.0000 172.8687 55 N 4.3564 8.7119 115.4122 55.0545 37.3924 175.7382 56 R 4.3243 7.6824 116.1844 55.6480 31.2001 175.4761 57 G 3.9082 7.9320 104.3456 43.2126 0.0000 171.3610 58 P 5.0728 0.0000 0.0000 63.0420 32.1320 176.0146 59 Q 4.9530 9.0206 119.7209 55.0040 32.2265 173.6133 60 A 5.0499 8.7795 122.7009 52.1718 19.4387 176.7443 61 A 4.5396 8.8027 120.4222 50.0491 23.2968 175.2327 62 N 3.8964 8.3600 115.4049 54.5145 37.3694 174.4463 63 V 4.4631 7.9392 119.1459 62.0585 33.5412 175.4829 64 V 4.6442 8.5022 128.7622 60.7750 33.9873 174.6657 65 K 4.5008 8.7141 127.7919 56.3488 32.6577 177.0033 66 L 4.3487 8.7543 125.0935 54.7916 41.3879 176.6081 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 M 8.25 4.68 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 2 Q 8.71 4.34 0.00 1.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.69 0.00 0.00 0.00 0.00 0.00 1.33 1.94 0.00 3 R 8.21 5.19 0.00 1.70 1.82 0.00 3.31 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 4 G 8.58 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 5 K 8.27 5.16 0.00 1.87 1.64 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.45 7.81 6 V 8.57 3.70 2.23 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 0.99 0.00 0.00 0.84 0.00 0.00 7 K 9.06 4.25 0.00 1.91 2.07 0.00 2.11 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.71 1.51 7.81 8 W 7.81 5.02 0.00 3.49 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.99 4.56 0.00 2.92 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 10 N 8.36 4.96 0.00 2.96 2.49 0.00 0.00 6.55 6.66 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 11 N 8.97 4.67 0.00 2.90 3.10 0.00 0.00 6.25 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 12 E 8.24 4.03 0.00 1.89 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 0.00 2.22 2.27 0.00 13 K 8.43 3.91 0.00 1.04 1.23 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 G 9.54 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 0.00 0.00 0.00 15 Y 5.94 4.75 0.00 2.40 2.90 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 16 G 6.98 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 17 F 6.85 5.01 0.00 2.80 2.86 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 18 I 8.56 4.62 1.49 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.36 0.51 0.00 0.00 19 E 9.57 4.79 0.00 2.06 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 0.00 2.55 2.31 0.00 20 V 8.44 4.88 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 0.99 0.00 0.00 1.13 0.00 0.00 *21 E 8.96 4.06 0.00 1.99 1.75 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 2.23 1.87 0.00 22 G 8.76 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 23 G 7.37 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 24 S 8.54 4.43 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.54 4.81 0.00 2.60 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.70 4.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.21 0.00 0.00 27 F 9.06 3.57 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.27 4.34 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.79 0.00 0.00 29 H 8.50 5.29 0.00 3.34 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.79 4.41 0.00 3.58 3.60 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 31 T 6.91 3.63 4.06 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 0.00 0.00 0.00 0.56 0.00 0.00 32 A 7.88 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 4.28 1.94 0.00 0.00 0.62 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 0.51 0.84 0.00 0.00 34 Q 8.74 4.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 35 G 8.65 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 3.80 0.00 1.89 1.95 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 2.28 2.33 0.00 37 G 7.08 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 38 F 8.14 4.25 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.47 4.36 0.00 1.94 2.13 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.54 7.81 40 T 7.37 4.50 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 1.27 0.00 0.00 41 L 7.17 4.82 0.00 0.69 1.19 0.49 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.56 4.79 0.00 2.14 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 2.36 2.21 0.00 43 E 8.84 4.09 0.00 2.05 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 2.38 2.71 0.00 44 G 9.13 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 45 Q 7.91 4.11 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 46 A 8.64 4.69 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 47 V 8.98 5.52 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 0.86 0.00 0.00 0.94 0.00 0.00 48 S 8.36 5.49 0.00 3.89 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 49 F 8.50 5.40 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.79 0.00 2.23 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 2.17 2.24 0.00 51 I 8.18 4.89 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.98 0.00 0.00 52 V 8.94 4.60 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 0.74 0.00 0.00 1.02 0.00 0.00 53 Q 8.73 4.81 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 54 G 8.71 4.36 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 0.00 55 N 8.71 4.36 0.00 2.81 2.94 0.00 0.00 5.81 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 56 R 7.68 4.32 0.00 1.62 1.81 0.00 3.22 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 57 G 7.93 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 58 P 0.00 5.07 0.00 2.03 2.06 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 59 Q 9.02 4.95 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 60 A 8.78 5.05 1.15 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 61 A 8.80 4.54 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 N 8.36 3.90 0.00 2.89 2.80 0.00 0.00 6.52 7.71 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 63 V 7.94 4.46 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 0.56 0.00 0.00 0.94 0.00 0.00 64 V 8.50 4.64 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 0.92 0.00 0.00 0.94 0.00 0.00 65 K 8.71 4.50 0.00 1.65 1.71 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.40 7.81 66 L 8.75 4.35 0.00 1.50 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.