NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5587 8.1476 118.3242 55.2643 33.3392 173.9896 2 Q 4.6922 8.2547 118.2599 53.4170 31.0042 172.8201 3 I 4.5821 9.0108 115.1055 59.0511 42.1467 175.0974 4 F 5.4121 8.7815 120.8945 55.7034 42.7508 174.8306 5 V 4.8112 9.1145 121.8222 61.2304 34.3355 174.0326 6 K 5.0689 9.1484 130.5015 55.2360 34.5884 175.5026 7 T 5.0352 8.3794 116.3095 59.7989 71.8101 174.9217 8 L 4.3211 8.6045 119.9543 56.1764 41.7798 177.8385 9 T 4.2990 8.0496 109.1728 61.1578 68.9675 176.5546 10 G 3.8112 8.0026 110.9505 45.3071 0.0000 174.1634 11 K 4.1685 7.4709 121.9313 56.7357 33.3647 175.6148 12 T 5.1673 8.4670 123.1699 61.8875 71.2637 173.2862 13 I 4.4156 9.0627 127.6906 60.3058 39.1082 174.8212 14 T 4.9917 8.5716 123.6912 62.4479 69.8992 174.2152 15 L 4.8110 8.6773 125.1058 52.8445 46.1662 174.9622 16 E 4.8261 8.6693 123.0297 55.0492 30.7279 175.1930 17 V 4.7048 8.5365 119.3739 60.2381 36.6980 173.9056 18 E 4.7217 9.1434 119.6907 54.0377 32.9098 176.1401 19 P 4.2321 0.0000 0.0000 65.6717 31.5890 178.5537 20 S 4.3147 7.9237 110.4576 59.5195 63.4946 174.1823 21 D 4.4263 8.0020 123.4334 54.6158 41.2624 176.2878 22 T 4.6648 8.2477 113.8496 61.3078 71.2036 175.8386 23 I 3.7211 8.5650 123.4930 64.5161 37.0649 178.5365 24 E 3.9454 8.2571 119.4710 59.6745 29.3702 179.0563 25 N 4.3145 8.1333 116.8164 56.5428 38.9572 177.0674 26 V 3.5559 7.8179 119.7616 65.9226 31.6635 177.9828 27 K 4.4511 8.5115 119.4507 58.8960 31.8530 179.0291 28 A 4.0026 8.0338 120.8420 55.1071 18.3197 179.7056 29 K 3.8683 8.0494 116.9497 59.7715 32.0501 179.6364 30 I 3.7135 7.7493 119.9468 64.3841 36.9718 178.2404 31 Q 4.2192 8.0706 121.7210 58.7738 28.6240 178.1395 32 D 4.3369 8.0302 119.2979 56.8827 40.9936 178.2083 33 K 4.3243 7.9809 117.1087 57.7257 33.2933 176.9943 34 E 4.4775 8.1798 116.9871 54.9798 31.1983 176.8798 35 G 3.8803 8.3572 106.7993 45.5432 0.0000 173.7372 36 I 3.9729 7.3767 121.7256 59.7713 37.6984 173.7724 37 P 4.4058 0.0000 0.0000 61.8803 32.0772 175.6416 38 P 4.3137 0.0000 0.0000 65.7406 31.3948 178.1470 39 D 4.4819 8.0327 115.7531 55.3378 39.7481 176.7106 40 Q 4.3534 8.3768 118.7418 56.0743 29.7089 174.6563 41 Q 4.6776 7.9521 119.1745 54.8717 30.7013 174.9367 42 R 4.6815 9.0285 123.5133 54.4293 32.7084 175.0279 43 L 4.9373 8.4074 124.4421 54.0074 43.7807 176.0528 44 I 5.1263 8.7788 122.8903 59.6787 41.3884 174.4447 45 F 4.8461 9.1485 127.4994 57.1820 43.0613 174.0632 46 A 3.1886 8.5517 129.1189 53.2567 15.6169 177.8119 47 G 3.9470 8.1757 107.1074 45.7121 0.0000 173.4829 48 K 4.6351 7.7002 119.3685 54.1235 34.8780 175.3534 49 Q 4.5566 8.5525 122.3363 55.9306 29.3168 175.6904 50 L 4.0030 8.6719 125.2615 54.1996 42.7340 176.2527 51 E 4.5273 9.2182 123.5603 55.1365 31.1614 177.1349 52 D 4.3279 9.0693 124.0271 57.5934 41.0488 178.4128 53 G 3.8504 7.9980 104.0237 45.8551 0.0000 173.5265 54 R 4.4124 7.9939 120.5976 55.3778 31.4013 175.1421 55 T 5.1019 8.3543 109.4411 59.5441 71.5198 174.7129 56 L 4.2145 8.5891 121.8435 57.9884 41.9434 180.2091 57 S 4.1335 8.3006 113.9569 61.7007 62.3770 176.2081 58 D 4.2844 7.6776 121.5377 56.6413 39.1482 177.3930 59 Y 4.5921 7.8061 114.9161 56.6777 38.0834 175.3966 60 N 4.3535 8.0632 117.1231 54.5331 37.9702 173.9362 61 I 3.3838 7.0240 116.5521 60.4072 37.5435 175.4994 62 Q 4.6686 8.4409 124.0689 52.9403 32.3250 174.6666 63 K 4.0512 8.4238 117.6395 58.9808 32.4745 176.6592 64 E 3.8557 9.3985 121.1154 56.8852 27.7847 174.7890 65 S 4.5180 7.9955 115.7652 59.2137 64.2194 173.3456 66 T 5.1899 8.7859 119.0381 62.1222 70.5063 173.9130 67 L 5.0579 9.2121 126.8635 53.8775 44.6514 175.1693 68 H 5.4257 9.0057 116.9623 54.0878 32.3629 173.1848 69 L 5.1993 8.6737 122.0159 53.4175 44.7553 175.7566 70 V 4.5187 9.1105 125.9957 61.0896 34.5587 174.0252 71 L 5.1211 8.3728 126.5669 53.3232 43.2627 176.5984 72 R 4.0708 8.7986 122.9957 56.5755 30.2271 176.9481 73 L 4.0010 8.7421 126.0712 57.8797 42.4159 177.7989 *74 R 4.1415 7.8099 119.4774 56.3774 30.0397 176.7657 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 8.15 4.56 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 2 Q 8.25 4.69 0.00 1.79 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 3 I 9.01 4.58 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.78 0.00 0.00 4 F 8.78 5.41 0.00 3.02 2.96 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 5 V 9.11 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 9.15 5.07 0.00 1.76 1.36 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 7 T 8.38 5.04 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 1.22 0.00 0.00 8 L 8.60 4.32 0.00 1.67 1.76 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.05 4.30 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 1.22 0.00 0.00 10 G 8.00 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 11 K 7.47 4.17 0.00 1.97 1.69 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.47 5.17 4.23 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 1.27 0.00 0.00 13 I 9.06 4.42 1.99 0.00 0.00 0.88 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 0.69 0.93 0.00 0.00 14 T 8.57 4.99 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 1.21 0.00 0.00 15 L 8.68 4.81 0.00 1.43 1.44 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.83 0.00 1.90 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 2.18 2.35 0.00 17 V 8.54 4.70 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 0.65 0.00 0.00 0.87 0.00 0.00 18 E 9.14 4.72 0.00 1.81 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 2.18 2.37 0.00 19 P 0.00 4.23 0.00 2.15 2.07 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.92 4.31 0.00 3.96 3.97 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 0.00 0.00 0.00 21 D 8.00 4.43 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.66 4.44 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 1.22 0.00 0.00 23 I 8.57 3.72 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.05 0.95 0.00 0.00 24 E 8.26 3.95 0.00 2.03 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 2.35 2.61 0.00 25 N 8.13 4.31 0.00 2.77 2.95 0.00 0.00 6.92 7.76 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 26 V 7.82 3.56 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 0.94 0.00 0.00 0.90 0.00 0.00 27 K 8.51 4.45 0.00 2.00 1.86 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.49 7.81 28 A 8.03 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 29 K 8.05 3.87 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.75 3.71 2.15 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 1.59 0.91 0.95 0.00 0.00 31 Q 8.07 4.22 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 D 8.03 4.34 0.00 2.89 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 7.98 4.32 0.00 1.92 1.93 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.47 7.81 34 E 8.18 4.48 0.00 2.04 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 2.23 2.36 0.00 35 G 8.36 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.97 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 1.07 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.31 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 39 D 8.03 4.48 0.00 2.77 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 8.38 4.35 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 7.95 4.68 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 42 R 9.03 4.68 0.00 1.77 1.83 0.00 3.11 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 43 L 8.41 4.94 0.00 1.55 1.53 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 44 I 8.78 5.13 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 1.10 0.75 0.87 0.00 0.00 45 F 9.15 4.85 0.00 3.06 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 8.55 3.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.95 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 0.00 0.00 0.00 48 K 7.70 4.64 0.00 1.96 1.76 0.00 2.04 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 49 Q 8.55 4.56 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.67 4.00 0.00 1.35 1.30 0.74 -0.22 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 51 E 9.22 4.53 0.00 2.09 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 2.40 0.00 52 D 9.07 4.33 0.00 2.72 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 53 G 8.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.99 4.41 0.00 2.24 1.91 0.00 2.97 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 55 T 8.35 5.10 4.46 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 0.00 0.00 0.00 1.27 0.00 0.00 56 L 8.59 4.21 0.00 1.90 1.69 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.30 4.13 0.00 4.02 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 58 D 7.68 4.28 0.00 2.37 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 59 Y 7.81 4.59 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.35 0.00 2.94 3.09 0.00 0.00 7.14 7.31 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 61 I 7.02 3.38 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.59 0.00 0.00 62 Q 8.44 4.67 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 63 K 8.42 4.05 0.00 1.84 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.40 3.86 0.00 2.20 2.37 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 2.55 2.49 0.00 65 S 8.00 4.52 0.00 3.66 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 8.79 5.19 4.39 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 1.27 0.00 0.00 67 L 9.21 5.06 0.00 1.63 1.63 0.82 0.81 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 68 H 9.01 5.43 0.00 3.12 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.67 5.20 0.00 1.60 1.50 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.11 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.37 5.12 0.00 1.55 1.57 0.93 0.94 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 72 R 8.80 4.07 0.00 1.66 1.86 0.00 3.37 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 73 L 8.74 4.00 0.00 1.63 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *74 R 7.81 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.