NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6732 8.4201 118.1291 52.8137 40.0740 173.1880 0 A 3.8738 8.2253 123.7906 51.3542 18.2097 176.4453 2 R 4.6986 8.7204 112.9403 52.5400 34.3923 174.6270 3 R 3.8246 8.4732 119.0429 56.3585 30.4683 176.2129 4 N 4.4550 8.6707 121.2613 53.5421 38.3110 173.4676 5 E 4.8251 8.2214 124.1647 53.5704 33.6062 175.5803 6 D 4.4601 8.4720 119.8902 54.1785 39.6423 175.7813 7 S 4.6780 8.1487 115.2732 57.3031 65.9211 173.2744 8 W 5.1076 8.7274 120.3861 54.8844 32.0617 174.7913 9 L 4.8544 8.6407 125.5832 53.8592 42.9081 175.5415 10 I 4.7451 8.9397 126.7740 59.2156 41.5284 174.3488 11 D 4.8269 8.7454 125.8626 54.0541 41.9596 177.4796 12 G 4.2030 9.8543 114.3237 47.6037 0.0000 174.5276 13 A 4.4600 8.2408 121.1059 52.3409 19.2572 177.6242 14 T 3.9494 7.8604 115.0755 62.6619 69.0614 172.1918 15 P 4.5697 0.0000 0.0000 62.9468 32.0603 176.6713 16 L 3.8719 8.6771 125.3699 58.3479 42.1451 178.3100 17 E 3.7909 8.0857 116.0904 59.3939 29.9270 178.0207 18 D 4.4410 8.1460 118.2733 57.5527 41.2126 178.9603 19 V 3.6044 7.4728 115.8691 63.6632 31.1957 177.4497 *21 R 4.1228 8.1754 119.1071 55.8372 31.3541 177.4593 22 A 4.1575 7.9582 118.8216 54.6416 18.3608 178.0179 23 L 4.2627 8.0291 114.1907 53.8444 41.9926 176.1724 24 N 4.2794 7.8440 116.1599 54.5471 37.7364 173.8282 25 I 4.3814 7.1672 114.4779 60.5739 37.9357 175.8569 26 H 4.9633 9.0557 121.0612 55.7469 29.9291 174.2194 27 T 4.4754 7.8863 116.4000 62.0932 69.7160 172.8743 28 F 5.2876 7.5691 118.8461 55.6355 40.3309 172.2502 29 P 4.2653 0.0000 0.0000 63.3748 31.2946 176.7495 30 R 4.5693 8.3243 120.3579 55.8488 31.3998 176.6774 31 D 4.3231 8.0303 117.3827 54.3730 39.6131 176.7587 32 E 3.8375 8.3065 117.1624 57.2721 26.7487 175.1494 33 N 4.1007 8.1629 118.7574 55.3495 38.5404 174.6541 34 Y 4.6361 7.3690 114.3361 55.9065 39.3475 175.0859 35 E 4.1548 8.7896 126.0392 58.1687 30.2698 177.2684 36 T 5.1424 7.5528 107.6423 59.1314 71.9221 174.5167 37 I 3.6696 8.6004 123.5217 64.2758 38.1165 177.7798 38 G 3.7493 8.2843 108.3861 48.3985 0.0000 175.1025 39 G 3.8125 8.0757 108.2490 48.5666 0.0000 174.7847 40 F 4.1172 7.8584 123.8455 58.2689 36.7283 173.8144 *43 Y 4.2796 7.7618 122.2325 56.7820 40.1893 176.3073 *45 L 3.9595 7.9007 119.3503 52.6491 43.4595 177.9829 46 R 3.5962 7.2504 113.3989 56.9168 28.3046 175.8204 *48 I 3.8926 7.5362 118.0511 60.3945 38.1048 173.9266 49 P 4.5812 0.0000 0.0000 62.5519 32.1649 176.2469 *52 T 4.5626 8.1602 108.0597 61.5486 70.7064 174.2609 53 D 4.7691 7.8924 122.0152 54.7585 41.9712 175.3599 54 F 5.5269 8.1030 114.8193 55.5939 41.2109 173.4736 55 V 4.4518 9.0835 120.4801 61.2001 33.7910 174.7901 56 L 5.0486 8.7600 127.4844 53.5299 43.0482 175.4331 57 Y 4.7639 9.2015 124.4320 57.3364 41.9575 174.1257 58 D 4.0503 7.8757 127.6317 56.0228 42.3003 173.5779 *60 Y 5.0065 7.0142 114.9309 57.7685 38.6661 174.8234 *62 F 4.7820 8.3675 123.3925 58.5682 40.8600 173.6304 63 E 5.2389 8.6248 125.0511 54.0370 32.0767 174.9064 64 I 4.0208 8.8504 129.0789 62.1315 37.0289 176.0320 65 I 4.2610 8.9913 129.4461 63.6299 37.9040 176.0339 66 D 4.8641 7.8820 119.1447 52.4032 42.4411 174.2885 67 T 5.1418 8.3582 110.3234 60.3630 71.5364 173.5126 68 E 4.4787 9.0634 119.8357 56.3882 32.6170 174.8396 69 N 3.5930 8.9560 117.0681 54.4982 36.0926 174.3709 70 F 4.0252 7.6078 111.4845 58.4940 36.7012 175.2009 71 R 4.7437 7.6643 118.0630 54.0316 33.9933 174.8579 72 I 4.1392 8.1379 120.4129 61.5845 37.5626 176.2745 73 D 4.4143 9.1870 126.4358 56.4857 42.1944 176.0089 74 Q 5.1748 7.8235 117.0326 53.9661 33.0049 173.9056 75 L 5.3541 8.7668 124.1976 53.7323 44.2785 175.1267 *77 V 3.9780 8.3543 116.3580 62.9855 33.0435 175.4893 78 S 4.8427 7.9205 120.0186 56.5200 67.0356 173.0778 79 F 4.6114 8.4706 119.1463 57.3562 39.2988 176.8960 80 R 4.1274 8.1185 120.7844 55.4508 31.2535 176.2335 *82 D 4.3665 8.5209 116.9830 54.1583 39.6778 175.0189 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 N 8.42 4.67 0.00 2.74 2.83 0.00 0.00 6.92 6.46 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 A 8.23 3.87 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 2 R 8.72 4.70 0.00 1.84 1.84 0.00 3.04 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 3 R 8.47 3.82 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 4 N 8.67 4.45 0.00 2.66 2.77 0.00 0.00 6.91 7.65 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 5 E 8.22 4.83 0.00 1.93 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 2.20 2.25 0.00 6 D 8.47 4.46 0.00 2.73 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 7 S 8.15 4.68 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.73 5.11 0.00 3.12 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 9 L 8.64 4.85 0.00 1.67 1.59 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.94 4.75 1.99 0.00 0.00 1.18 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 0.83 0.99 0.00 0.00 11 D 8.75 4.83 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.85 4.20 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 0.00 13 A 8.24 4.46 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 14 T 7.86 3.95 4.26 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 1.21 0.00 0.00 15 P 0.00 4.57 0.00 2.28 1.99 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 16 L 8.68 3.87 0.00 1.43 1.64 0.53 1.02 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 17 E 8.09 3.79 0.00 1.94 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 2.38 2.51 0.00 18 D 8.15 4.44 0.00 2.96 2.69 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 19 V 7.47 3.60 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 1.07 0.00 0.00 1.04 0.00 0.00 *21 R 8.18 4.12 0.00 1.91 2.17 0.00 3.25 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 22 A 7.96 4.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.26 0.00 1.62 1.26 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.84 4.28 0.00 2.94 3.00 0.00 0.00 7.09 7.80 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 25 I 7.17 4.38 1.98 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.04 1.35 0.00 0.00 26 H 9.06 4.96 0.00 3.22 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.89 4.48 4.34 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 0.00 0.00 0.00 1.29 0.00 0.00 28 F 7.57 5.29 0.00 2.90 3.09 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 0.00 0.00 0.00 0.00 29 P 0.00 4.27 0.00 2.02 2.21 0.00 3.25 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 2.08 2.26 0.00 30 R 8.32 4.57 0.00 1.69 1.86 0.00 3.06 0.00 0.00 2.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 31 D 8.03 4.32 0.00 2.72 2.77 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 0.00 0.00 0.00 0.00 32 E 8.31 3.84 0.00 2.13 2.07 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 2.20 2.32 0.00 33 N 8.16 4.10 0.00 2.44 2.09 0.00 0.00 6.64 7.19 0.00 0.00 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 Y 7.37 4.64 0.00 3.06 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 35 E 8.79 4.15 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 36 T 7.55 5.14 4.50 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 1.29 0.00 0.00 37 I 8.60 3.67 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 1.04 0.00 0.00 38 G 8.28 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 39 G 8.08 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.86 4.12 0.00 2.92 3.06 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 0.00 *43 Y 7.76 4.28 0.00 1.85 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.96 0.00 1.55 1.63 0.85 0.80 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 46 R 7.25 3.60 0.00 1.85 1.93 0.00 3.01 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 *48 I 7.54 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.94 0.00 0.00 49 P 0.00 4.58 0.00 2.19 2.04 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 *52 T 8.16 4.56 4.31 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 1.25 0.00 0.00 53 D 7.89 4.77 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 5.53 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.45 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 0.75 0.00 0.00 0.79 0.00 0.00 56 L 8.76 5.05 0.00 1.85 1.76 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.20 4.76 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.88 4.05 0.00 2.73 2.99 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 *60 Y 7.01 5.01 0.00 3.12 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 0.00 0.00 0.00 0.00 *62 F 8.37 4.78 0.00 3.23 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 63 E 8.62 5.24 0.00 2.08 1.83 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 2.34 2.68 0.00 64 I 8.85 4.02 1.92 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 1.26 0.70 0.97 0.00 0.00 65 I 8.99 4.26 2.02 0.00 0.00 0.89 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 0.79 0.93 0.00 0.00 66 D 7.88 4.86 0.00 2.74 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 67 T 8.36 5.14 4.34 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 0.00 0.00 0.00 1.28 0.00 0.00 68 E 9.06 4.48 0.00 2.02 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 0.00 2.28 2.22 0.00 69 N 8.96 3.59 0.00 2.81 2.90 0.00 0.00 7.02 7.45 0.00 0.00 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 F 7.61 4.03 0.00 3.28 3.16 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 0.00 71 R 7.66 4.74 0.00 1.93 1.80 0.00 3.36 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 72 I 8.14 4.14 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.95 0.00 0.00 73 D 9.19 4.41 0.00 2.78 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 74 Q 7.82 5.17 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.22 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 75 L 8.77 5.35 0.00 1.85 1.72 1.17 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 *77 V 8.35 3.98 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 0.17 0.00 0.00 0.90 0.00 0.00 78 S 7.92 4.84 0.00 3.81 3.81 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 0.00 0.00 0.00 79 F 8.47 4.61 0.00 3.00 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 80 R 8.12 4.13 0.00 2.02 1.90 0.00 3.12 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 *82 D 8.52 4.37 0.00 2.84 2.75 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 * Residues marked with a * may have inaccurate shift predictions.