NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1495 0.0000 0.0000 63.1497 32.2224 173.4930 3 K 3.4915 8.8336 128.9500 55.2819 29.7213 173.0449 4 M 4.1704 9.1668 126.0467 55.3077 33.5556 175.7733 5 K 4.5448 8.2726 121.3648 54.7074 33.9331 176.7111 6 T 4.0750 8.2829 113.9033 61.4451 69.6523 173.6647 7 H 4.1581 8.9813 125.1034 56.0005 29.7779 175.9216 8 K 4.0157 8.8047 127.4483 59.7333 31.8251 179.2392 9 G 3.9172 8.2672 103.7476 47.9589 0.0000 175.0625 10 A 4.1073 8.1552 122.1113 55.0955 18.4872 179.3005 11 K 3.8208 7.7765 116.6135 59.7192 32.3169 178.6370 12 K 4.2957 8.6767 117.4488 57.9940 31.9814 177.7066 13 R 4.7158 7.9612 113.3642 55.1976 30.9463 175.0311 14 V 4.5394 7.5633 116.8491 60.5774 34.3290 173.5024 15 K 4.6049 8.8966 124.9686 54.6894 34.8782 174.3271 16 I 4.7921 8.1319 126.7740 59.4422 39.1596 175.8669 17 T 4.1760 8.7571 120.8751 61.1644 70.0086 174.4525 18 A 4.1529 8.3615 122.7456 54.8355 18.7960 178.8625 19 S 4.2051 7.9573 110.0378 59.5525 63.2485 175.1612 20 G 3.8436 7.6282 107.9436 45.0100 0.0000 173.4001 21 K 3.9450 7.8709 119.9031 55.6595 33.3089 176.3739 22 V 4.1997 8.1302 125.0535 62.1362 32.3723 174.9903 23 V 5.2873 9.0966 128.7165 60.4778 32.4426 174.3174 24 A 5.0728 8.4001 127.7014 50.0935 23.2071 174.7430 25 M 4.3246 8.6336 118.8394 55.2198 32.7810 176.8856 26 K 4.2137 8.0913 122.3533 56.7340 32.5583 177.4897 27 T 4.0978 8.4699 115.2840 62.0979 69.6868 174.1164 28 G 4.2300 9.0412 111.0278 45.4714 0.0000 175.4013 29 K 4.6855 7.6621 116.4892 56.1267 32.5559 175.6999 30 R 4.6064 8.8691 114.7670 55.5825 31.4862 175.1813 31 H 5.8220 8.1338 125.0097 56.6107 28.5143 175.5965 32 L 4.0793 7.7832 121.9719 57.9053 41.7153 177.4447 33 N 4.4614 8.1076 114.4558 53.1066 38.9405 174.0998 34 W 4.2803 9.0216 135.0000 57.3715 29.6330 172.3203 35 Q 4.1410 6.5954 121.4325 55.2507 29.7281 172.1734 36 K 4.5271 7.8488 125.1395 54.5481 36.3997 176.0008 37 S 4.0360 8.9903 116.9467 58.5250 63.3576 175.5956 38 G 3.6194 8.9343 111.9238 48.8451 0.0000 175.0794 39 K 3.7622 8.2324 119.3348 60.4683 32.0990 177.3130 40 E 4.1858 9.0764 119.9778 58.0734 29.1917 178.2267 41 I 3.8534 7.5744 117.2578 63.1332 37.9180 177.7576 42 R 4.1103 7.9894 120.9651 58.9170 31.5521 177.3419 43 Q 4.4212 7.5212 116.0506 56.1807 26.8473 178.3521 44 K 4.5664 7.4383 117.3325 54.4220 33.6474 175.8029 45 G 4.3756 7.4729 110.7087 43.4553 0.0000 171.2337 46 R 4.3531 8.3863 120.2139 56.9757 30.4977 176.1969 47 K 4.5691 7.1345 122.3359 57.6990 35.0833 174.6843 48 F 5.1111 8.3280 119.6622 57.7678 40.0466 175.2861 49 V 4.3558 7.9601 112.5098 60.8134 35.1544 173.2921 50 L 4.5036 8.4186 125.7195 53.7478 44.2872 174.2495 51 A 4.7151 8.3798 125.3148 52.9699 17.3493 179.9237 52 K 3.9045 7.8545 113.5043 58.9906 32.0500 177.6790 53 P 4.1653 0.0000 0.0000 65.7078 31.2751 178.2398 54 E 3.8722 7.9424 118.2240 59.1241 29.4358 178.9311 55 A 3.9049 8.0017 119.9881 55.3675 18.3639 178.5899 56 E 3.7421 8.6176 117.7414 60.0835 29.5875 179.4692 57 R 3.8849 8.7232 117.9013 59.3147 29.9619 178.7700 58 I 3.8335 7.4707 117.8010 63.0010 37.3338 177.2656 59 K 4.4371 8.3000 119.2858 56.2350 32.5991 177.0405 60 L 4.9531 7.9356 120.7314 54.8129 42.6991 178.9050 61 L 3.4028 7.8893 111.7065 59.7217 40.6195 178.1143 62 L 4.2481 8.7720 118.6324 56.6645 42.5324 177.0631 63 P 4.2902 0.0000 0.0000 63.6780 31.4595 176.5838 64 Y 3.1923 7.7444 118.4554 59.0759 37.6947 171.1467 *65 E 4.1515 8.5441 114.2751 56.8052 30.5285 171.3634 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 P 0.00 4.15 0.00 2.19 2.15 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 8.83 3.49 0.00 1.99 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.53 7.81 4 M 9.17 4.17 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 5 K 8.27 4.54 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 6 T 8.28 4.07 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 1.26 0.00 0.00 7 H 8.98 4.16 0.00 3.20 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.80 4.02 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.57 7.81 9 G 8.27 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 0.00 0.00 0.00 10 A 8.16 4.11 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 11 K 7.78 3.82 0.00 1.81 2.03 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 12 K 8.68 4.30 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 13 R 7.96 4.72 0.00 1.85 1.94 0.00 3.06 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 14 V 7.56 4.54 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 0.72 0.00 0.00 0.94 0.00 0.00 15 K 8.90 4.60 0.00 1.87 1.68 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.36 7.81 16 I 8.13 4.79 1.84 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 1.35 0.96 0.90 0.00 0.00 17 T 8.76 4.18 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 1.23 0.00 0.00 18 A 8.36 4.15 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 19 S 7.96 4.21 0.00 3.77 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.87 3.95 0.00 1.33 0.87 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.92 1.11 7.81 22 V 8.13 4.20 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 0.72 0.00 0.00 0.90 0.00 0.00 23 V 9.10 5.29 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 0.94 0.00 0.00 0.97 0.00 0.00 24 A 8.40 5.07 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.63 4.32 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 26 K 8.09 4.21 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 27 T 8.47 4.10 4.26 0.00 0.00 0.00 0.00 0.00 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 28 G 9.04 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 0.00 0.00 0.00 0.00 29 K 7.66 4.69 0.00 1.85 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.45 7.81 30 R 8.87 4.61 0.00 1.75 1.86 0.00 3.55 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 31 H 8.13 5.82 0.00 3.45 3.44 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.78 4.08 0.00 1.73 1.84 0.94 1.16 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 33 N 8.11 4.46 0.00 2.79 2.85 0.00 0.00 6.81 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.02 4.28 0.00 3.35 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 6.60 4.14 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 36 K 7.85 4.53 0.00 1.74 2.02 0.00 2.16 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.51 7.81 37 S 8.99 4.04 0.00 3.97 4.01 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 0.00 0.00 0.00 38 G 8.93 3.62 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 0.00 0.00 0.00 39 K 8.23 3.76 0.00 1.74 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.56 7.81 40 E 9.08 4.19 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 41 I 7.57 3.85 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.52 0.95 0.00 0.00 42 R 7.99 4.11 0.00 1.86 2.19 0.00 3.26 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 Q 7.52 4.42 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 44 K 7.44 4.57 0.00 1.66 1.70 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.48 7.81 45 G 7.47 4.38 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 0.00 46 R 8.39 4.35 0.00 1.86 1.89 0.00 3.38 0.00 0.00 3.32 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 47 K 7.13 4.57 0.00 2.06 1.98 0.00 1.26 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.46 7.81 48 F 8.33 5.11 0.00 2.95 3.02 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 0.00 0.00 0.00 49 V 7.96 4.36 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 0.61 0.00 0.00 0.96 0.00 0.00 50 L 8.42 4.50 0.00 1.61 1.56 0.96 1.09 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 51 A 8.38 4.72 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 52 K 7.85 3.90 0.00 1.97 1.88 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.57 7.81 53 P 0.00 4.17 0.00 2.19 2.36 0.00 3.73 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 2.03 2.22 0.00 54 E 7.94 3.87 0.00 2.14 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 2.30 2.34 0.00 55 A 8.00 3.90 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 56 E 8.62 3.74 0.00 2.21 2.05 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 2.29 2.41 0.00 57 R 8.72 3.88 0.00 1.97 1.89 0.00 3.08 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 58 I 7.47 3.83 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.71 0.90 0.00 0.00 59 K 8.30 4.44 0.00 2.00 1.85 0.00 1.53 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.46 7.81 60 L 7.94 4.95 0.00 1.64 1.65 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.89 3.40 0.00 1.77 1.60 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.77 4.25 0.00 1.70 1.81 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.29 0.00 2.22 2.22 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 64 Y 7.74 3.19 0.00 2.97 3.02 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 0.00 0.00 0.00 *65 E 8.54 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.