NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Q 4.3047 8.4445 119.1202 55.0619 29.4340 178.0700 11 T 4.2300 8.9586 104.9643 59.4273 70.0404 174.2995 12 D 4.4889 8.9771 127.4995 53.3952 42.2587 175.4408 13 A 4.4852 8.4178 128.7158 52.0933 19.7541 177.2105 14 R 4.0891 7.7482 115.1472 55.0911 30.7020 175.1154 15 P 4.2865 0.0000 0.0000 62.8257 31.9272 175.5364 16 L 4.4608 8.1812 123.4401 52.5593 43.0544 174.6707 17 P 4.3751 0.0000 0.0000 63.4918 31.5277 175.9798 18 Q 4.5708 8.6059 117.3644 55.4851 30.1713 175.4812 19 D 5.0051 7.6677 119.0872 51.2227 42.6550 176.3349 20 F 4.0175 8.9158 124.7441 61.8765 39.2254 177.4888 21 E 3.8518 8.2778 117.1086 59.9128 29.3484 179.4893 22 T 3.8250 8.5439 115.7864 66.3588 68.4346 176.8644 23 A 3.8864 7.9265 122.9639 54.7676 18.3281 179.4453 24 L 3.5782 7.8303 119.0079 58.1606 42.0728 178.9577 25 A 4.0834 7.9839 120.9219 55.2926 18.2601 179.2802 26 E 3.8545 8.3483 117.8801 58.9919 29.7095 178.5533 27 L 3.8557 8.2266 120.9151 58.4192 42.1374 178.7640 28 E 3.9747 8.4926 118.9710 59.5944 29.3617 179.6651 29 S 4.1584 7.9501 113.8179 61.2855 62.8578 176.6072 30 L 4.0054 7.7423 122.0953 57.4190 41.3911 179.2776 31 V 3.7176 7.6932 117.5038 66.0255 31.5983 177.4124 32 S 4.2689 7.9640 111.4599 61.4943 61.8157 176.0101 33 A 4.2823 7.7368 121.2079 52.4265 17.8287 177.8561 *35 E 4.0641 7.9653 116.3086 57.7798 31.1303 176.0850 36 N 4.6727 7.9406 116.1758 53.1079 39.5455 177.7019 37 G 4.0595 8.2456 106.0123 46.3790 0.0000 175.2928 38 T 4.0204 7.7339 108.3594 62.8668 68.7915 174.3103 39 L 4.2473 7.3632 123.1436 53.2571 41.9750 175.6566 40 P 4.4050 0.0000 0.0000 62.5027 33.0437 176.5638 41 L 3.8804 8.4975 120.3543 58.7451 41.9190 178.7923 42 E 3.9249 8.2486 118.2882 59.7247 29.4162 178.7928 43 Q 4.0519 8.0282 117.3433 58.8025 28.8046 178.4132 44 S 4.1677 8.2562 116.3984 61.7686 62.9017 176.8626 45 L 4.1023 8.1589 121.6127 57.6387 41.3412 179.4159 46 S 4.0871 8.1391 112.9505 61.4572 62.3481 176.1328 47 A 4.0248 8.4536 123.8488 55.2076 17.9917 179.0251 48 Y 4.0185 8.3871 118.4915 60.9477 38.9149 178.4915 49 R 3.6356 8.0840 119.0310 59.0107 30.0821 178.8222 50 R 3.9013 7.9988 118.7149 59.3755 29.9380 178.4951 51 G 3.6111 7.9252 105.3581 48.0398 0.0000 175.7119 52 V 3.4187 7.5148 121.2332 65.4894 31.4470 177.9158 53 E 3.9500 8.0560 118.3672 59.2850 29.2614 179.4310 54 L 3.9137 8.1191 119.1380 57.7275 41.7355 179.3660 55 A 3.9844 8.2183 121.0593 54.9962 18.1870 179.6801 56 R 3.8351 8.0594 117.3647 59.3986 30.1464 178.8192 57 V 3.5739 7.7152 118.0329 66.2595 31.5474 177.5857 58 C 4.2981 8.0948 116.2390 63.3363 28.0638 176.3725 59 Q 4.0951 8.6202 119.7311 58.9881 28.2155 178.6397 60 D 4.3849 8.4122 120.2231 57.4348 40.7752 179.0664 61 R 3.9839 8.1584 118.6245 58.9739 30.1090 178.9585 62 L 3.8059 8.1040 118.5863 57.8133 41.7350 179.1534 63 A 4.0032 8.0394 120.5312 55.5852 18.1521 179.7759 64 Q 3.8975 8.1582 115.9792 58.9810 28.7605 178.7576 65 A 3.9332 8.1660 121.9998 55.1885 18.4410 179.2346 66 E 3.8278 8.6105 118.2059 59.4324 29.5953 178.9296 67 Q 3.9155 7.9831 119.5687 59.0802 29.1791 177.6275 68 Q 3.9469 8.3550 121.0343 59.3720 28.9607 178.7456 69 V 3.6036 7.9877 119.1751 65.8302 31.5589 178.2416 70 K 3.9419 7.9406 118.2958 59.2908 31.8206 179.3200 71 V 3.5741 8.1112 118.9482 66.2174 31.1993 178.0141 72 L 3.9677 7.7234 117.0248 57.7843 41.7404 179.0990 73 E 4.2050 8.4887 118.7462 59.3974 29.5573 179.5565 74 G 3.6718 8.0804 105.6340 48.1179 0.0000 175.4677 75 D 4.4413 8.1956 120.2843 56.6677 40.8142 178.2568 76 L 4.1043 7.5085 120.0165 57.3809 42.3744 177.8902 77 L 4.2545 7.6437 119.4040 56.6724 42.3815 178.0013 78 R 3.8930 7.7762 118.8515 59.2419 29.8146 176.4185 79 P 4.4776 0.0000 0.0000 63.9584 31.4719 176.7194 80 L 4.4338 7.5528 116.8285 54.4192 42.2457 176.1669 81 D 4.5111 7.9106 120.6337 52.8361 40.6601 174.7226 82 P 4.3972 0.0000 0.0000 61.7774 32.0961 175.9137 83 A 3.8977 8.5150 121.3666 52.4018 18.5690 177.6450 84 A 3.9948 8.5738 125.1365 52.6098 18.8800 177.3300 85 L 4.5407 8.1954 122.1887 53.2776 43.9232 176.2889 86 D 4.4709 8.3969 118.0118 54.6019 41.1864 175.8805 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 10 Q 8.44 4.30 0.00 2.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 11 T 8.96 4.23 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 12 D 8.98 4.49 0.00 2.61 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 13 A 8.42 4.49 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 14 R 7.75 4.09 0.00 1.99 1.87 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 15 P 0.00 4.29 0.00 2.03 1.99 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 16 L 8.18 4.46 0.00 1.56 1.55 0.89 0.98 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 17 P 0.00 4.38 0.00 2.18 2.02 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 18 Q 8.61 4.57 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 19 D 7.67 5.01 0.00 2.89 2.79 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 20 F 8.92 4.02 0.00 3.18 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 21 E 8.28 3.85 0.00 2.09 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 2.57 2.56 0.00 22 T 8.54 3.83 4.40 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 1.18 0.00 0.00 23 A 7.93 3.89 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 24 L 7.83 3.58 0.00 0.89 1.39 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.98 4.08 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 26 E 8.35 3.85 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 27 L 8.23 3.86 0.00 1.77 1.82 0.88 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 28 E 8.49 3.97 0.00 2.11 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 0.00 2.31 2.42 0.00 29 S 7.95 4.16 0.00 4.01 4.10 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 30 L 7.74 4.01 0.00 1.81 1.77 0.89 0.97 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 31 V 7.69 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 32 S 7.96 4.27 0.00 3.99 4.08 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 33 A 7.74 4.28 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.06 0.00 2.12 2.11 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 2.31 2.34 0.00 36 N 7.94 4.67 0.00 3.01 2.87 0.00 0.00 6.98 7.46 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 37 G 8.25 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 0.00 0.00 0.00 0.00 38 T 7.73 4.02 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 39 L 7.36 4.25 0.00 1.71 1.67 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.41 0.00 2.26 2.19 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 41 L 8.50 3.88 0.00 1.77 1.72 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.25 3.92 0.00 2.17 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 2.38 1.99 0.00 43 Q 8.03 4.05 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 44 S 8.26 4.17 0.00 4.04 3.93 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 0.00 0.00 0.00 0.00 45 L 8.16 4.10 0.00 1.72 1.77 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.14 4.09 0.00 4.13 4.11 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 47 A 8.45 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.02 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.64 0.00 1.92 1.93 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 50 R 8.00 3.90 0.00 1.99 2.05 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 51 G 7.93 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 52 V 7.51 3.42 1.80 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 0.90 0.00 0.00 0.25 0.00 0.00 53 E 8.06 3.95 0.00 2.16 1.94 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 2.41 2.46 0.00 54 L 8.12 3.91 0.00 1.79 1.63 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.22 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.84 0.00 1.97 2.12 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 57 V 7.72 3.57 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 0.99 0.00 0.00 0.98 0.00 0.00 58 C 8.09 4.30 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.62 4.10 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 60 D 8.41 4.38 0.00 2.92 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 61 R 8.16 3.98 0.00 2.11 2.02 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 62 L 8.10 3.81 0.00 1.70 1.67 0.98 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.04 4.00 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 64 Q 8.16 3.90 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 65 A 8.17 3.93 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 66 E 8.61 3.83 0.00 2.13 1.94 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 2.28 2.29 0.00 67 Q 7.98 3.92 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 68 Q 8.35 3.95 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 69 V 7.99 3.60 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 1.03 0.00 0.00 0.97 0.00 0.00 70 K 7.94 3.94 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.60 7.81 71 V 8.11 3.57 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 72 L 7.72 3.97 0.00 1.84 1.71 0.91 0.72 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 E 8.49 4.20 0.00 2.20 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 2.32 2.54 0.00 74 G 8.08 3.67 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 0.00 0.00 0.00 75 D 8.20 4.44 0.00 2.81 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 76 L 7.51 4.10 0.00 1.86 1.87 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.64 4.25 0.00 1.79 1.78 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.78 3.89 0.00 2.11 1.93 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 79 P 0.00 4.48 0.00 2.06 2.08 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 80 L 7.55 4.43 0.00 1.77 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.91 4.51 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.40 0.00 2.17 2.06 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 83 A 8.51 3.90 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 84 A 8.57 3.99 1.25 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 85 L 8.20 4.54 0.00 1.64 1.61 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.40 4.47 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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.