NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2139 8.2048 119.7437 54.4858 34.2097 176.7991 2 P 4.5721 0.0000 0.0000 61.4363 33.1372 174.1929 3 R 4.8952 8.6248 124.2608 55.8803 33.8994 175.4010 4 L 4.5945 8.6632 122.0990 53.8712 46.1087 173.9393 5 K 5.6514 8.2434 124.8874 54.4515 34.2925 175.6407 6 V 4.8604 8.4384 119.5370 58.4564 35.8110 174.3933 7 K 4.9930 8.2928 121.9874 53.7770 36.1069 175.0368 8 L 4.6560 8.4198 127.2869 54.4504 41.6096 176.4326 9 V 4.9058 8.2809 118.6996 60.9183 33.3649 175.7822 10 K 4.5895 7.5546 121.0272 54.6916 34.2539 174.4573 11 S 4.7194 8.3562 111.1174 55.9553 65.0908 172.4936 12 P 4.2951 0.0000 0.0000 65.8219 31.4425 175.8149 13 I 3.7555 7.4032 120.2055 63.7320 36.4877 175.5299 14 G 3.9379 8.9106 113.6480 45.4429 0.0000 172.6042 15 Y 4.6381 7.6550 116.7668 55.1299 39.3575 173.5887 16 P 4.2971 0.0000 0.0000 62.2532 32.0324 176.5309 17 K 3.6920 8.6016 119.6311 60.4843 32.5918 178.2663 18 D 4.3595 8.2567 117.6686 56.9698 39.1528 178.4703 19 Q 4.1667 7.2647 115.3802 57.9716 28.8622 179.1033 20 K 4.2104 7.8950 119.1350 58.7446 32.4743 178.9036 21 A 3.9726 7.8676 120.4211 54.9042 18.2824 178.9688 22 A 3.9321 8.3994 119.8312 55.8135 18.3986 179.9078 23 L 3.9633 7.8325 116.2065 57.1954 41.6492 178.9494 24 K 4.2829 7.5978 118.0815 58.1826 32.5347 178.4010 25 A 4.1868 8.2810 121.8535 55.2552 18.5924 179.1435 26 L 4.2805 8.0362 115.0281 54.9773 41.8048 177.5835 27 G 3.8661 7.4984 105.6819 46.8412 0.0000 175.0749 28 L 5.1480 7.9786 120.7604 52.5844 40.2343 176.4740 29 R 4.5123 7.8100 120.5105 55.6894 30.8534 176.4677 30 R 4.5640 7.5525 114.5881 55.3719 34.1072 173.9531 31 L 4.5186 8.2190 121.1449 54.9971 43.7576 175.8226 32 Q 3.5861 10.5366 121.7444 57.4350 26.2145 173.1530 33 Q 4.8063 7.7112 117.9983 54.3745 32.4716 174.0019 34 E 4.9621 8.8616 125.7104 55.0959 31.5941 175.1997 35 R 4.4588 9.8189 124.4621 54.6984 32.6939 175.6791 36 V 3.8847 8.4426 120.7479 60.4917 30.1593 175.3717 37 L 4.5665 9.2580 125.6703 53.1027 44.9267 174.8468 38 E 4.5508 8.4063 121.4271 54.5351 30.7289 174.4799 39 D 4.6448 8.3470 128.8356 54.8918 41.2269 175.1797 40 T 4.9466 8.0662 114.1236 58.3593 71.8949 173.9954 41 P 4.3504 0.0000 0.0000 65.9487 31.0476 178.3692 42 A 4.0245 7.9633 119.7365 54.7591 18.3024 179.1186 43 I 3.6275 7.7478 117.0932 64.5454 37.3680 178.8065 44 R 4.0229 8.4795 119.1435 59.5241 29.7124 178.6819 45 G 3.7935 7.7584 103.5530 48.8403 0.0000 174.6204 46 N 4.1820 8.1873 118.4392 55.7261 38.6160 177.3172 47 V 3.4856 7.7737 118.8877 66.5650 31.5537 178.1228 48 E 3.9285 8.2818 116.9967 59.1996 29.3949 178.5013 49 K 4.4704 8.2875 116.6789 56.1301 32.4814 176.7396 50 V 4.1460 7.8394 111.1710 60.6938 31.9224 177.3587 51 A 3.8780 7.9913 122.7071 55.4154 18.7352 180.8905 52 H 4.5159 7.5196 111.1013 58.2197 29.7234 176.3401 53 L 4.1634 7.4565 119.8917 56.1958 41.8708 176.1470 54 V 5.2420 8.8423 116.5253 60.6439 35.3938 174.3220 55 R 4.5743 8.2468 121.2437 53.9774 33.1217 175.8277 56 V 3.7349 8.7855 120.9029 62.8628 32.8894 175.0650 57 E 3.8808 9.5300 125.8014 55.4288 30.7615 172.0041 58 V 4.2078 8.2104 125.2967 61.9208 32.6058 174.9875 59 V 4.3447 7.9939 127.5573 61.5917 34.8995 175.5178 *60 E 4.1630 8.6319 117.9278 56.1790 30.2635 176.6660 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 8.20 5.21 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 2 P 0.00 4.57 0.00 2.19 1.91 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 3 R 8.62 4.90 0.00 1.78 2.04 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 4 L 8.66 4.59 0.00 1.70 1.42 0.91 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 5 K 8.24 5.65 0.00 1.86 1.61 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.31 7.81 6 V 8.44 4.86 2.06 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 1.06 0.00 0.00 0.91 0.00 0.00 7 K 8.29 4.99 0.00 1.77 1.58 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.31 7.81 8 L 8.42 4.66 0.00 1.72 1.59 1.01 0.92 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 9 V 8.28 4.91 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 0.90 0.00 0.00 0.98 0.00 0.00 10 K 7.55 4.59 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.36 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 11 S 8.36 4.72 0.00 3.86 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 12 P 0.00 4.30 0.00 2.26 2.09 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 13 I 7.40 3.76 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.35 0.92 0.00 0.00 14 G 8.91 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.66 4.64 0.00 3.09 2.86 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 16 P 0.00 4.30 0.00 2.24 2.06 0.00 3.88 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 2.21 2.16 0.00 17 K 8.60 3.69 0.00 1.84 1.80 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 D 8.26 4.36 0.00 2.91 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 19 Q 7.26 4.17 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 20 K 7.90 4.21 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 21 A 7.87 3.97 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 22 A 8.40 3.93 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 23 L 7.83 3.96 0.00 1.90 1.87 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.60 4.28 0.00 1.68 1.92 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 25 A 8.28 4.19 1.34 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 0.00 0.00 26 L 8.04 4.28 0.00 1.60 1.72 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.50 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 28 L 7.98 5.15 0.00 1.57 1.62 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.81 4.51 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 30 R 7.55 4.56 0.00 1.75 1.79 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 31 L 8.22 4.52 0.00 1.60 1.55 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 10.54 3.59 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 33 Q 7.71 4.81 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 34 E 8.86 4.96 0.00 1.88 1.84 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 2.24 2.28 0.00 35 R 9.82 4.46 0.00 1.90 1.74 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 36 V 8.44 3.88 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 0.74 0.00 0.00 0.93 0.00 0.00 37 L 9.26 4.57 0.00 1.53 1.57 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.41 4.55 0.00 1.94 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 2.20 2.33 0.00 39 D 8.35 4.64 0.00 2.94 2.78 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 40 T 8.07 4.95 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 1.24 0.00 0.00 41 P 0.00 4.35 0.00 2.17 2.15 0.00 3.59 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 2.11 2.16 0.00 42 A 7.96 4.02 1.29 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 0.00 0.00 43 I 7.75 3.63 1.86 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 0.96 0.90 0.00 0.00 44 R 8.48 4.02 0.00 1.98 1.98 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 1.79 1.95 0.00 45 G 7.76 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.18 0.00 2.88 2.82 0.00 0.00 6.74 7.78 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 47 V 7.77 3.49 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 0.96 0.00 0.00 48 E 8.28 3.93 0.00 2.19 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 2.34 2.44 0.00 49 K 8.29 4.47 0.00 1.69 1.86 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.61 7.81 50 V 7.84 4.15 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 0.79 0.00 0.00 0.89 0.00 0.00 51 A 7.99 3.88 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 52 H 7.52 4.52 0.00 3.23 3.45 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.46 4.16 0.00 1.69 1.66 0.75 0.78 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 54 V 8.84 5.24 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 1.17 0.00 0.00 0.94 0.00 0.00 55 R 8.25 4.57 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 56 V 8.79 3.73 2.07 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 0.72 0.00 0.00 0.91 0.00 0.00 57 E 9.53 3.88 0.00 2.21 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 2.25 2.27 0.00 58 V 8.21 4.21 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 0.88 0.00 0.00 0.92 0.00 0.00 59 V 7.99 4.34 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 0.85 0.00 0.00 0.93 0.00 0.00 *60 E 8.63 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.