NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2859 8.0427 122.7468 54.9695 43.9813 174.8010 2 Q 4.9539 8.4731 127.0903 52.4176 31.7949 172.5120 3 I 4.7204 8.9378 119.5981 59.1262 42.1286 173.5484 4 F 5.2604 8.7170 121.2145 55.8935 41.8907 174.9740 5 V 4.8672 9.2676 122.0104 61.2215 34.2947 174.4576 6 K 5.0173 9.1404 127.7449 55.0425 34.8565 175.5266 7 T 4.8212 8.0299 113.0455 59.5794 71.3739 175.1656 8 L 4.0229 8.6767 124.6114 58.3272 42.3486 178.5805 9 T 3.9469 7.4024 108.3975 62.7557 68.5182 173.6418 10 G 4.0627 7.4478 116.0444 43.7409 0.0000 172.5808 11 K 4.1700 7.3226 117.7598 54.2152 34.7614 175.6864 12 T 4.7468 8.1862 116.9826 62.5089 70.2639 173.8214 13 I 4.4909 9.3394 126.7281 59.6103 40.4178 174.1851 14 T 4.9477 8.5909 125.9338 62.2852 70.2912 174.0489 15 L 4.7748 8.6115 125.3989 52.8614 45.3771 175.4417 16 E 4.6220 8.7283 122.8558 55.9538 30.2385 175.8752 17 V 4.6141 8.7101 118.2575 59.7228 36.1983 174.5320 18 E 4.8177 8.8088 119.2115 54.0779 33.0917 176.0732 19 P 4.2106 0.0000 0.0000 65.6380 31.4445 177.7688 20 S 4.5926 7.8346 111.9872 57.9113 63.5115 173.8158 21 D 4.3996 7.8569 122.0295 55.1006 41.4428 176.8014 22 T 4.6129 8.2704 113.3669 61.4251 71.0874 175.7726 23 I 3.7317 8.4900 123.3517 64.4223 37.1486 178.3869 24 E 3.9213 8.2438 120.2167 59.5116 29.4971 178.5827 25 N 4.3166 8.2650 116.3963 56.4286 38.5797 177.6054 26 V 3.5858 7.6582 119.1405 65.9339 31.5734 178.1322 27 K 4.1651 8.7270 119.7747 58.8857 31.9545 179.1101 28 A 4.0287 7.9256 120.8160 54.7909 18.1431 179.8594 29 K 3.9392 7.9153 116.7985 59.7799 32.1245 179.6715 30 I 3.7462 7.8299 120.1260 64.2745 36.7413 178.2810 31 Q 4.1044 8.2625 120.2031 59.2669 28.9178 177.7527 32 D 4.4785 7.8045 118.9850 56.8898 40.9121 178.1727 33 K 4.3220 7.6373 117.6820 58.1167 32.5188 175.9948 34 E 4.3276 8.2093 115.4362 57.0723 32.7165 175.4149 *36 I 3.8911 7.5046 120.5695 60.4493 38.8250 174.2353 37 P 4.3305 0.0000 0.0000 62.0163 31.9979 175.4431 38 P 4.2845 0.0000 0.0000 65.8457 31.3691 178.0087 39 D 4.4600 8.0554 115.4221 55.3720 39.7235 176.6333 40 Q 4.4136 8.4578 119.0080 55.9254 28.9902 174.5083 41 Q 5.0240 7.9888 118.3780 54.1991 31.5229 174.8075 42 R 4.7452 9.2482 121.4981 54.3282 34.0701 174.5276 43 L 5.1685 8.4510 121.7898 53.0489 44.9249 175.1789 44 I 4.8992 8.6832 124.5457 59.4112 40.1165 174.2937 45 F 5.1636 8.9960 128.6406 56.6683 41.8524 175.0761 46 A 3.5660 9.3399 130.1631 53.0590 15.8756 175.7253 47 G 4.0734 8.2553 108.9341 45.2195 0.0000 173.8080 48 K 4.4345 7.8634 119.2540 54.5544 33.5195 175.2576 49 Q 4.5454 8.4892 125.2666 55.8366 29.8057 174.9254 50 L 4.1704 8.7978 127.1947 53.9583 43.0499 176.0124 51 E 4.5412 9.5046 123.6959 55.1236 30.8440 177.4463 52 D 4.4104 9.0836 124.0043 57.1546 41.1303 178.2547 53 G 3.8685 7.9902 105.3756 46.1404 0.0000 173.8737 54 R 4.3813 7.9787 120.0983 55.5747 31.2018 175.5581 55 T 5.0776 8.2187 109.6085 59.6494 71.4184 175.8011 56 L 4.1525 8.5216 122.4034 58.0218 41.9949 180.3757 57 S 4.1577 8.1127 112.9250 61.1738 63.3771 175.8752 58 D 4.2526 8.0144 120.6172 57.6233 40.4605 177.3827 59 Y 4.4715 7.4960 111.4188 57.1222 38.0772 174.9335 60 N 4.1236 7.8795 117.3134 54.4905 37.8861 174.4823 61 I 3.6668 7.7309 117.7200 60.3854 38.1495 175.8330 62 Q 4.7423 8.2826 124.7674 53.0326 31.9343 174.8468 63 K 4.0776 8.4269 117.2549 58.9855 32.5812 176.3554 64 E 3.7564 9.1443 119.2650 57.2872 27.9487 175.0005 65 S 4.6064 7.8284 115.4309 58.9795 64.2830 173.1972 66 T 5.2149 8.7617 118.8604 62.0565 70.4484 173.6869 67 L 4.9768 9.3307 126.8309 53.6434 44.5667 175.1335 68 H 5.1936 9.1831 120.1886 54.1966 30.7683 173.7422 69 L 4.7484 9.0719 127.0398 54.4092 42.8522 176.1312 70 V 4.5243 9.2451 120.1590 59.5476 34.6132 174.7107 71 L 5.0769 8.5851 124.6751 53.1594 44.0094 176.4204 72 R 4.4130 8.5921 123.0487 54.5855 31.3225 175.4960 73 L 4.2811 8.2972 124.5030 54.6312 41.8952 176.9261 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 L 8.04 4.29 0.00 1.75 1.79 0.90 0.26 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 2 Q 8.47 4.95 0.00 2.09 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 1.89 2.38 0.00 3 I 8.94 4.72 1.88 0.00 0.00 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 1.11 0.51 0.83 0.00 0.00 4 F 8.72 5.26 0.00 3.05 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 5 V 9.27 4.87 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 9.14 5.02 0.00 1.61 1.68 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.45 7.81 7 T 8.03 4.82 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 1.27 0.00 0.00 8 L 8.68 4.02 0.00 1.64 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.40 3.95 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 10 G 7.45 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 11 K 7.32 4.17 0.00 2.00 1.96 0.00 1.40 0.00 0.00 1.83 0.00 0.00 3.25 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.59 7.81 12 T 8.19 4.75 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 I 9.34 4.49 1.89 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 1.24 1.49 0.96 0.00 0.00 14 T 8.59 4.95 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 1.11 0.00 0.00 15 L 8.61 4.77 0.00 1.52 1.45 0.91 1.03 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 16 E 8.73 4.62 0.00 1.81 1.87 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 2.24 2.25 0.00 17 V 8.71 4.61 2.17 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 0.63 0.00 0.00 0.92 0.00 0.00 18 E 8.81 4.82 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 19 P 0.00 4.21 0.00 2.19 2.29 0.00 3.66 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 2.05 1.98 0.00 20 S 7.83 4.59 0.00 3.86 3.92 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 21 D 7.86 4.40 0.00 2.88 2.61 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 22 T 8.27 4.61 4.45 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 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.49 3.73 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.11 0.92 0.00 0.00 24 E 8.24 3.92 0.00 2.30 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 2.31 2.41 0.00 25 N 8.27 4.32 0.00 3.08 2.85 0.00 0.00 6.72 7.30 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 26 V 7.66 3.59 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 1.01 0.00 0.00 0.95 0.00 0.00 27 K 8.73 4.17 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.52 7.81 28 A 7.93 4.03 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 29 K 7.92 3.94 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 7.83 3.75 2.12 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 1.41 0.68 0.95 0.00 0.00 31 Q 8.26 4.10 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 32 D 7.80 4.48 0.00 2.91 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 33 K 7.64 4.32 0.00 1.67 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 34 E 8.21 4.33 0.00 1.98 1.78 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 2.36 2.38 0.00 *36 I 7.50 3.89 1.87 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 1.42 0.67 0.91 0.00 0.00 37 P 0.00 4.33 0.00 2.25 1.98 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.13 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 2.12 2.10 0.00 39 D 8.06 4.46 0.00 2.79 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 40 Q 8.46 4.41 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.99 5.02 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 42 R 9.25 4.75 0.00 1.86 1.78 0.00 3.12 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 43 L 8.45 5.17 0.00 1.53 1.52 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.68 4.90 1.91 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 1.27 1.00 0.95 0.00 0.00 45 F 9.00 5.16 0.00 2.91 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 46 A 9.34 3.57 0.52 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 47 G 8.26 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 48 K 7.86 4.43 0.00 1.93 1.75 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.33 7.81 49 Q 8.49 4.55 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.80 4.17 0.00 1.41 1.36 0.76 0.20 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 51 E 9.50 4.54 0.00 2.03 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 0.00 2.34 2.39 0.00 52 D 9.08 4.41 0.00 2.76 2.93 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 53 G 7.99 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 0.00 0.00 0.00 54 R 7.98 4.38 0.00 2.16 1.62 0.00 3.03 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 55 T 8.22 5.08 4.30 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 1.27 0.00 0.00 56 L 8.52 4.15 0.00 1.93 1.71 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.11 4.16 0.00 4.02 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 58 D 8.01 4.25 0.00 2.71 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.50 4.47 0.00 2.99 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 60 N 7.88 4.12 0.00 2.90 2.98 0.00 0.00 7.10 7.49 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 61 I 7.73 3.67 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.24 0.55 0.00 0.00 62 Q 8.28 4.74 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 63 K 8.43 4.08 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.14 3.76 0.00 2.19 2.33 0.00 0.00 0.00 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 2.27 0.00 65 S 7.83 4.61 0.00 3.75 3.69 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 66 T 8.76 5.21 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 1.17 0.00 0.00 67 L 9.33 4.98 0.00 1.56 1.59 0.87 1.01 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 68 H 9.18 5.19 0.00 3.06 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.07 4.75 0.00 1.60 1.70 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.25 4.52 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 0.70 0.00 0.00 0.94 0.00 0.00 71 L 8.59 5.08 0.00 1.51 1.57 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.59 4.41 0.00 1.79 1.82 0.00 3.25 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 73 L 8.30 4.28 0.00 1.67 1.55 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.