NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1350 8.2649 123.5821 50.8220 20.2142 175.0159 3 K 3.4249 8.6066 121.2609 57.0086 28.5347 171.5621 4 E 3.7422 8.2979 128.8510 56.2698 29.2110 172.8739 5 P 4.1889 0.0000 0.0000 64.6796 31.1372 177.4438 6 C 4.1641 8.8038 117.2073 60.2709 31.1883 175.2857 7 V 4.0267 6.8528 122.1427 62.3418 29.0860 175.3134 *9 S 4.5791 7.7921 118.3563 58.3334 65.5191 176.7558 10 L 4.2562 7.4987 119.1600 56.6350 41.4211 179.4565 11 V 3.7349 7.7592 118.5693 65.9210 31.1702 178.0208 12 S 4.4445 8.1752 113.6435 61.6113 62.9345 176.3727 13 Q 4.1194 7.7706 122.0463 58.8269 28.1401 177.8188 14 Y 4.1353 7.9855 120.5727 60.5859 38.3686 177.9879 15 F 3.7578 7.6208 118.4338 60.3379 38.8601 177.6969 16 Q 4.0682 7.8821 116.6171 59.0891 28.4699 178.7157 17 T 3.8917 7.8017 116.9178 66.5450 68.4071 176.8605 18 V 3.7031 7.5367 119.9903 66.2016 31.3070 178.3310 19 T 3.9249 7.3893 114.3352 66.7247 68.4742 176.2113 20 D 4.5151 8.4396 121.1143 57.5188 40.7168 178.2212 21 Y 4.2636 8.4309 120.3262 60.5635 38.7785 178.2077 22 G 3.5492 8.1788 106.8678 47.5287 0.0000 175.8625 23 K 3.9829 7.7061 120.9055 59.4621 31.8151 179.1288 24 D 4.7312 7.7396 119.0876 56.8571 40.6736 178.3736 25 L 4.0051 7.4153 119.6482 57.8227 41.5813 179.3992 26 M 4.0609 8.0304 118.7970 58.2588 31.6783 178.6184 27 E 3.9772 8.0276 118.5338 59.1337 29.4419 178.8651 28 K 4.1922 7.5653 115.6545 57.7266 32.3611 178.3351 29 V 4.0237 7.5194 118.5956 64.1540 32.0281 177.7729 30 K 4.1225 7.7400 118.3761 59.0625 31.9286 179.1732 31 S 4.1495 7.8099 115.0040 60.9204 62.7044 174.8928 32 P 4.5106 0.0000 0.0000 64.6880 31.1341 178.0465 33 E 4.0878 7.4224 115.4396 58.2610 30.1133 178.4441 34 L 4.6111 6.9529 116.1334 53.9329 40.4387 176.7922 35 Q 3.9868 8.0409 118.3615 57.3525 29.7381 175.1453 36 A 4.7727 8.1853 126.7058 53.2638 26.3000 175.0825 37 E 4.7071 8.1175 119.4917 55.9577 34.1108 174.8550 38 A 4.4478 7.3170 124.4466 52.0736 26.3000 176.5223 39 K 4.7543 7.5593 110.0973 55.9115 38.3123 179.2951 40 S 4.3975 8.3963 114.0537 61.8541 63.1092 175.8020 41 Y 4.4799 8.1042 122.6343 59.4087 38.3558 177.0453 42 F 4.2745 8.2941 121.5253 61.2878 39.5332 176.7126 43 E 3.6605 7.9381 117.0833 59.0748 28.8928 179.3120 44 K 4.2434 8.0833 119.7166 58.6655 31.9121 179.5753 45 S 3.7098 7.7695 114.8643 61.1903 62.8793 176.7235 46 K 3.9208 7.3169 121.6342 58.7331 31.9235 178.3257 47 E 4.2043 7.9310 116.8570 57.1503 29.2738 177.8454 48 Q 4.3668 7.2296 118.5393 57.5990 30.3415 177.8641 49 L 4.0582 7.4922 119.6693 57.9689 41.6966 179.6772 50 T 3.8878 7.7936 115.5713 66.3614 68.5750 175.1006 51 P 4.2807 0.0000 0.0000 65.3578 31.1097 178.6363 52 L 4.0615 7.3899 116.6187 58.5301 40.3699 179.1471 53 I 3.9663 7.3370 119.9382 63.9145 37.4058 177.7480 54 K 4.2538 8.1244 117.3518 57.3555 32.0587 178.6444 55 K 4.1154 7.9391 120.3624 58.3983 32.1387 178.0457 56 A 4.2482 7.8474 120.7877 54.6720 18.0122 179.4329 57 G 3.7120 7.9290 103.4748 46.8579 0.0000 174.1224 58 T 4.7394 7.5970 112.1017 60.6138 67.9448 173.6858 59 E 4.5256 7.2310 116.8820 58.5885 31.7734 177.7958 60 L 4.1298 7.5962 118.0404 58.0352 42.1730 179.8044 61 V 3.6418 7.8934 118.2824 66.1119 31.1670 177.9090 62 N 4.4108 8.1429 115.8248 56.0911 38.2240 177.0644 63 F 4.5016 7.9296 121.5474 61.1431 39.6024 176.8450 64 L 3.8853 7.9410 117.9220 56.6194 41.5491 179.1940 65 S 4.0006 7.7339 113.9174 61.4657 62.3620 175.4311 66 Y 4.1696 7.5195 117.2436 59.9994 37.8208 177.2213 67 F 4.8637 7.6475 118.1459 58.6821 38.8078 176.6552 68 V 4.2902 7.2859 118.7179 64.2669 33.0729 176.6099 69 E 4.0766 8.1827 118.3849 57.6977 29.9453 178.1023 70 L 4.9682 8.2689 120.1493 53.5781 41.9424 176.6140 71 G 4.7147 7.6716 106.9854 47.5344 0.0000 174.0452 72 T 4.1481 7.7307 117.7198 65.7904 69.0463 177.5417 73 Q 3.8520 7.5721 119.3445 58.2143 28.7627 175.0201 74 P 4.2365 0.0000 0.0000 63.8778 30.9130 174.7976 75 A 4.5411 8.0005 124.9882 52.2590 20.1780 176.1061 76 T 4.4686 7.3434 113.2740 65.6676 72.5395 173.8737 77 Q 4.1299 7.9014 128.0411 56.4886 29.1204 176.0327 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 8.26 4.13 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 3 K 8.61 3.42 0.00 2.01 1.89 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.43 7.81 4 E 8.30 3.74 0.00 2.10 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 0.00 2.19 2.29 0.00 5 P 0.00 4.19 0.00 2.26 2.03 0.00 3.75 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 2.06 1.94 0.00 6 C 8.80 4.16 0.00 3.12 3.23 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 7 V 6.85 4.03 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 0.80 0.00 0.00 0.92 0.00 0.00 *9 S 7.79 4.58 0.00 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 0.00 10 L 7.50 4.26 0.00 1.75 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.76 3.73 2.19 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 1.24 0.00 0.00 0.93 0.00 0.00 12 S 8.18 4.44 0.00 4.17 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 13 Q 7.77 4.12 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 14 Y 7.99 4.14 0.00 2.88 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 15 F 7.62 3.76 0.00 3.19 2.81 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 16 Q 7.88 4.07 0.00 2.34 2.17 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 2.40 2.67 0.00 17 T 7.80 3.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 18 V 7.54 3.70 2.24 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 1.10 0.00 0.00 0.91 0.00 0.00 19 T 7.39 3.92 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 1.21 0.00 0.00 20 D 8.44 4.52 0.00 2.88 2.76 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 0.00 0.00 0.00 21 Y 8.43 4.26 0.00 3.14 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 22 G 8.18 3.55 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 0.00 0.00 0.00 23 K 7.71 3.98 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.73 7.81 24 D 7.74 4.73 0.00 2.57 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 25 L 7.42 4.01 0.00 1.64 1.58 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.03 4.06 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.95 0.00 27 E 8.03 3.98 0.00 2.17 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 2.30 2.58 0.00 28 K 7.57 4.19 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.57 7.81 29 V 7.52 4.02 2.19 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 1.07 0.00 0.00 0.99 0.00 0.00 30 K 7.74 4.12 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.76 7.81 31 S 7.81 4.15 0.00 3.96 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 32 P 0.00 4.51 0.00 2.22 2.20 0.00 3.30 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 33 E 7.42 4.09 0.00 2.09 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 2.30 2.45 0.00 34 L 6.95 4.61 0.00 1.06 1.32 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.04 3.99 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 36 A 8.19 4.77 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.71 0.00 1.99 2.03 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 2.06 2.09 0.00 38 A 7.32 4.45 1.22 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 39 K 7.56 4.75 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 40 S 8.40 4.40 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.10 4.48 0.00 3.00 3.08 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 42 F 8.29 4.27 0.00 3.05 3.29 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 43 E 7.94 3.66 0.00 2.25 1.92 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 2.33 2.63 0.00 44 K 8.08 4.24 0.00 1.96 1.92 0.00 2.04 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.60 7.81 45 S 7.77 3.71 0.00 3.82 3.76 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 0.00 0.00 0.00 46 K 7.32 3.92 0.00 1.85 1.72 0.00 1.23 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.09 7.81 47 E 7.93 4.20 0.00 2.15 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 2.50 0.00 48 Q 7.23 4.37 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 49 L 7.49 4.06 0.00 1.58 1.66 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.79 3.89 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 1.18 0.00 0.00 51 P 0.00 4.28 0.00 2.13 2.08 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 52 L 7.39 4.06 0.00 1.81 1.79 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.34 3.97 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.91 0.00 0.00 54 K 8.12 4.25 0.00 1.93 1.83 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 7.94 4.12 0.00 2.12 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 56 A 7.85 4.25 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 57 G 7.93 3.71 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 0.00 0.00 0.00 58 T 7.60 4.74 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 1.27 0.00 0.00 59 E 7.23 4.53 0.00 2.02 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 0.00 2.27 2.53 0.00 60 L 7.60 4.13 0.00 1.85 1.79 1.04 0.80 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 61 V 7.89 3.64 2.22 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 1.02 0.00 0.00 0.94 0.00 0.00 62 N 8.14 4.41 0.00 3.14 2.98 0.00 0.00 6.78 8.13 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 63 F 7.93 4.50 0.00 3.02 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 64 L 7.94 3.89 0.00 2.00 1.71 1.07 0.79 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 65 S 7.73 4.00 0.00 3.91 3.78 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 0.00 0.00 0.00 66 Y 7.52 4.17 0.00 3.00 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 67 F 7.65 4.86 0.00 3.17 2.89 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 0.00 0.00 0.00 68 V 7.29 4.29 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 1.44 0.00 0.00 0.95 0.00 0.00 69 E 8.18 4.08 0.00 2.07 1.91 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 2.24 2.40 0.00 70 L 8.27 4.97 0.00 1.78 1.72 1.02 0.85 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 71 G 7.67 4.71 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 0.00 0.00 0.00 72 T 7.73 4.15 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 1.21 0.00 0.00 73 Q 7.57 3.85 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 74 P 0.00 4.24 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 75 A 8.00 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 76 T 7.34 4.47 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 77 Q 7.90 4.13 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.