NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5312 8.3049 120.3488 55.3045 33.7154 177.9144 2 S 4.3536 7.7210 126.4060 54.5083 62.0651 175.7510 3 T 3.2835 8.5983 117.6813 64.7567 69.6341 173.3232 4 L 4.0453 7.6871 122.6582 58.6692 42.6899 180.0690 *5 K 3.9829 7.9710 123.3615 59.8930 31.4544 180.7723 6 E 4.3269 8.0584 118.7894 58.6582 29.7593 179.2258 7 V 3.5818 7.6002 118.5758 65.9575 31.6320 177.7749 8 Q 3.9918 8.2076 119.3487 59.4447 28.8721 178.1426 9 D 4.6246 8.0233 119.4681 56.8694 40.9708 177.8269 10 N 4.5361 7.9156 117.2579 55.6945 38.9210 177.1467 11 I 3.7997 7.5554 121.3996 64.4863 37.2382 177.9932 12 T 3.8776 8.3515 117.0421 66.7810 68.4106 176.2769 13 L 3.9777 7.9461 120.4379 58.4606 41.7255 179.5572 14 H 4.2026 8.2062 115.3822 58.7046 28.5162 177.8046 15 E 4.0121 8.6861 121.0912 59.4160 28.7311 179.2334 16 Q 3.9954 8.2644 118.1782 59.1587 28.6731 179.2711 17 R 3.9699 7.8108 118.5760 58.9521 30.0813 178.8392 18 L 3.9193 8.0351 120.3533 57.9620 42.1050 178.8740 19 V 3.6018 7.9762 118.7052 66.4323 31.3298 178.1825 20 T 4.2386 7.8352 109.8449 64.4447 68.9216 176.9706 21 T 3.8995 8.2269 113.1472 64.1567 68.6806 176.8024 22 R 3.8948 8.1293 121.0157 59.2055 29.6397 178.5488 23 Q 3.9929 7.8006 117.2785 59.3722 28.7992 179.5725 24 K 3.9636 8.2034 119.0252 59.3197 31.9774 179.0558 25 L 3.9289 8.0489 120.4923 58.3273 42.0989 179.2456 26 K 4.1998 8.1074 119.7141 58.9388 31.8957 179.1556 27 D 4.3356 8.1634 119.0516 57.3206 40.8012 178.6338 28 A 4.0555 8.1921 121.3014 54.9186 18.4225 179.6916 29 E 3.8947 8.3887 117.3783 59.7134 29.6282 179.5179 30 R 4.0156 8.0337 117.8406 59.2667 30.1224 179.0530 31 A 3.9517 8.0325 120.3418 55.2877 18.2443 179.8965 32 V 3.6855 7.6675 115.3535 65.9255 31.5360 177.6164 33 E 4.0702 7.9129 118.5825 59.2226 29.6026 178.4814 34 L 4.4384 7.7566 117.8719 56.2990 42.3139 176.6908 35 D 4.5787 8.4868 118.5522 51.8602 42.0877 174.4925 36 P 4.5780 0.0000 0.0000 61.7529 30.6263 176.8292 37 D 4.7046 7.4262 119.9929 53.0076 42.2319 175.5633 38 D 4.4078 8.4677 118.0914 57.0073 40.8267 179.1328 39 V 3.5376 7.7079 118.4866 66.1640 31.6872 177.3281 40 N 4.2773 8.6018 116.3374 56.7467 38.4365 177.4779 41 K 4.0945 7.9637 119.4573 59.0378 32.1991 179.3531 42 S 4.3137 8.0874 114.2083 60.9308 63.1723 176.7033 43 T 3.9259 7.8836 120.1009 66.2793 68.2050 176.3752 44 L 4.0119 8.1381 124.7960 58.8587 42.0499 179.4252 *45 Q 3.9738 7.9887 120.4110 60.6341 28.0399 180.5837 46 S 4.3283 8.0928 116.9957 61.5708 62.8868 177.4517 47 R 3.8608 8.1532 120.3570 59.3863 30.0126 178.9252 48 R 3.8899 7.8987 117.7094 59.5742 30.2191 178.8341 49 A 3.9688 8.1400 119.9031 55.2237 18.4298 179.6419 50 A 3.9965 8.0388 119.2921 55.0892 18.3747 180.0428 51 V 3.6199 7.8710 117.0886 66.0678 31.5211 178.5554 52 S 4.1430 8.0951 114.6689 61.3556 62.6380 176.4768 53 A 3.9887 7.9478 123.2774 55.1494 18.0577 179.7381 54 L 3.9848 7.9611 117.5663 57.8339 41.6591 179.6527 55 E 3.9476 8.2229 118.6509 59.5990 29.5257 179.1735 56 T 3.8122 8.0445 115.9312 66.8445 68.5215 176.3696 57 K 3.9083 8.2474 121.2230 59.5395 32.0359 178.7781 58 L 4.0418 8.3137 119.6630 57.5943 41.5540 179.5126 59 G 3.6591 8.0383 105.6762 47.8375 0.0000 175.4857 60 E 3.9533 8.0017 120.4105 59.2008 29.4841 179.4243 61 L 3.9532 8.1135 119.1540 57.8284 41.7138 179.8006 62 K 3.9459 8.2926 118.5381 59.3910 31.9675 179.5437 63 R 3.8999 8.0156 118.2670 59.3500 30.0396 178.7611 64 E 3.9250 8.3538 119.2826 59.1747 29.6598 178.5105 65 L 3.9266 8.2216 120.3927 58.0629 42.0286 178.7945 66 A 4.0132 8.1179 120.7371 55.2952 18.2495 179.3867 67 D 4.2758 8.1899 117.4341 57.3333 40.8947 178.7495 68 L 3.9113 8.1162 120.9556 58.0576 42.0970 179.0537 69 I 3.6490 7.8903 119.4727 64.4482 37.1511 178.1007 70 A 3.9954 8.2909 121.5413 55.3033 17.9356 179.5620 71 A 3.9595 8.4180 118.5812 55.3055 18.5202 179.5167 72 Q 4.0724 7.9127 115.6058 58.8774 28.8708 178.5128 73 K 4.0002 7.8108 119.3156 59.6904 32.3278 176.9026 74 L 4.2946 7.7560 121.7669 55.0256 41.6968 176.8005 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 8.30 4.53 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 S 7.72 4.35 0.00 4.00 3.73 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 3 T 8.60 3.28 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 4 L 7.69 4.05 0.00 1.79 1.64 0.92 0.59 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 *5 K 7.97 3.98 0.00 1.84 1.81 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.36 7.81 6 E 8.06 4.33 0.00 2.00 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 2.39 2.36 0.00 7 V 7.60 3.58 2.08 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 1.04 0.00 0.00 1.00 0.00 0.00 8 Q 8.21 3.99 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 9 D 8.02 4.62 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.54 0.00 2.84 2.96 0.00 0.00 7.08 7.94 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 11 I 7.56 3.80 2.02 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 1.51 0.59 0.92 0.00 0.00 12 T 8.35 3.88 4.37 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 1.22 0.00 0.00 13 L 7.95 3.98 0.00 1.72 1.70 0.92 0.92 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 14 H 8.21 4.20 0.00 3.27 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.69 4.01 0.00 2.13 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 2.34 2.58 0.00 16 Q 8.26 4.00 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 17 R 7.81 3.97 0.00 2.02 1.95 0.00 2.98 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 18 L 8.04 3.92 0.00 1.90 1.85 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.98 3.60 2.27 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 0.99 0.00 0.00 1.00 0.00 0.00 20 T 7.84 4.24 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 1.29 0.00 0.00 21 T 8.23 3.90 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 1.25 0.00 0.00 22 R 8.13 3.89 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 23 Q 7.80 3.99 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 24 K 8.20 3.96 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 25 L 8.05 3.93 0.00 1.85 1.89 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.11 4.20 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 27 D 8.16 4.34 0.00 2.94 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 28 A 8.19 4.06 1.36 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 29 E 8.39 3.89 0.00 2.17 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 2.33 2.47 0.00 30 R 8.03 4.02 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 31 A 8.03 3.95 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 32 V 7.67 3.69 2.08 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 0.83 0.00 0.00 0.95 0.00 0.00 33 E 7.91 4.07 0.00 2.14 2.13 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 0.00 2.32 2.39 0.00 34 L 7.76 4.44 0.00 1.79 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.49 4.58 0.00 2.51 2.52 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 36 P 0.00 4.58 0.00 2.08 2.05 0.00 3.73 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 2.22 0.00 37 D 7.43 4.70 0.00 3.08 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 38 D 8.47 4.41 0.00 2.71 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 39 V 7.71 3.54 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 40 N 8.60 4.28 0.00 3.03 2.88 0.00 0.00 7.13 7.58 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 41 K 7.96 4.09 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 42 S 8.09 4.31 0.00 4.07 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 43 T 7.88 3.93 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 1.21 0.00 0.00 44 L 8.14 4.01 0.00 1.86 1.84 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *45 Q 7.99 3.97 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 46 S 8.09 4.33 0.00 4.01 3.96 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 0.00 0.00 0.00 47 R 8.15 3.86 0.00 1.83 1.97 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 48 R 7.90 3.89 0.00 2.15 2.02 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 49 A 8.14 3.97 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 50 A 8.04 4.00 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 51 V 7.87 3.62 2.08 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 1.03 0.00 0.00 0.93 0.00 0.00 52 S 8.10 4.14 0.00 4.06 3.89 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 53 A 7.95 3.99 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 54 L 7.96 3.98 0.00 1.86 1.75 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.22 3.95 0.00 2.25 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 2.33 2.56 0.00 56 T 8.04 3.81 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 57 K 8.25 3.91 0.00 1.85 1.88 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 58 L 8.31 4.04 0.00 2.04 1.70 0.93 1.08 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 59 G 8.04 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.00 3.95 0.00 2.15 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 2.34 0.00 61 L 8.11 3.95 0.00 1.63 1.69 0.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.29 3.95 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 63 R 8.02 3.90 0.00 2.10 1.97 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 64 E 8.35 3.92 0.00 2.05 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 0.00 2.30 2.31 0.00 65 L 8.22 3.93 0.00 1.78 1.79 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.12 4.01 1.40 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 0.00 0.00 0.00 67 D 8.19 4.28 0.00 2.89 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 68 L 8.12 3.91 0.00 2.00 1.66 0.92 0.96 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 69 I 7.89 3.65 2.05 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 1.45 0.94 0.91 0.00 0.00 70 A 8.29 4.00 1.36 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 71 A 8.42 3.96 1.33 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 0.00 0.00 72 Q 7.91 4.07 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 73 K 7.81 4.00 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.54 7.81 74 L 7.76 4.29 0.00 1.67 1.57 0.92 0.76 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 * Residues marked with a * may have inaccurate shift predictions.