NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2655 8.2993 119.9965 56.6072 34.7386 176.0399 12 Q 3.9062 8.0749 118.4063 53.8830 28.9219 173.8997 13 K 4.5537 8.8345 123.6702 54.9999 35.8796 176.0139 14 A 4.6776 8.0664 121.7162 50.9375 22.4142 175.2614 15 V 4.4638 8.0402 118.3803 61.3941 33.9175 174.8820 16 F 4.8989 8.4372 124.7114 56.9859 41.8374 174.0740 17 G 3.7250 8.1266 116.7828 43.3393 0.0000 171.0988 18 I 4.0152 7.4013 118.0701 58.5444 40.6165 175.6655 19 Y 4.5664 8.0119 119.0528 56.5951 37.2552 175.2451 20 M 4.6642 7.9961 121.3234 52.7443 34.1539 176.1003 21 D 4.5065 8.2600 119.0313 54.4494 41.5680 177.3671 22 K 3.9767 8.3624 121.7864 59.4407 32.3872 178.4035 23 D 4.2126 8.1009 117.6125 57.4834 41.0818 178.4591 24 L 3.8718 7.7724 119.9402 58.1920 42.3379 178.7168 25 K 3.9768 7.8893 119.0521 59.7660 31.9915 178.8388 26 T 3.9983 8.7469 117.0176 66.0012 68.3863 176.7926 27 R 3.8835 8.3164 121.3218 59.5672 30.0691 178.3513 28 L 4.0185 7.8833 119.8664 57.9529 42.0122 178.6772 29 K 3.9477 8.2059 119.8032 59.6551 32.0302 178.9634 30 V 3.6823 8.1338 118.6852 65.8838 31.3387 177.4094 31 Y 4.0825 8.2007 119.6714 60.8656 38.6781 177.7469 32 C 4.0647 8.6625 117.6537 62.1592 28.3402 175.8020 33 A 4.0472 7.8698 122.8944 54.5901 17.8685 179.6055 34 K 3.9609 8.1755 117.8343 59.2765 32.4737 178.0540 35 N 4.5417 7.8044 113.2426 52.0975 38.7716 174.7496 36 N 4.2155 7.2721 115.0950 53.9459 36.9108 174.4644 37 L 4.2650 7.2985 116.9838 54.4153 42.5671 177.0922 38 Q 4.3643 8.2980 118.9446 54.7688 30.6445 176.4028 39 L 3.9548 8.6305 126.6548 58.9403 41.9960 179.5074 40 T 3.8535 7.9012 114.5798 66.8434 68.4307 176.0704 41 Q 4.1357 8.2132 120.6032 59.2693 28.9710 178.3207 42 A 4.0818 8.3571 121.8535 55.1443 18.4113 179.5521 43 I 3.6344 7.9724 118.4876 64.6750 37.1283 178.5097 44 E 3.9078 8.5691 119.6475 59.5265 29.2244 179.3221 45 E 3.9541 8.5052 118.5421 59.1560 29.3579 179.2579 46 A 3.9151 8.3633 121.1963 55.3821 18.6504 179.6740 47 I 3.7720 8.5299 117.3785 63.5367 37.8448 178.1013 48 K 3.9374 8.3048 121.1572 59.6295 32.1521 178.4845 49 E 4.1816 8.4582 117.7817 58.1034 29.3227 178.5598 50 Y 4.1520 7.7471 120.5814 60.5805 38.9663 177.1721 51 L 3.7773 7.7933 119.4172 57.9465 41.4938 179.5759 52 Q 4.0348 7.6486 117.0104 58.3376 28.7853 177.9644 53 K 4.0926 7.7205 119.1189 58.6375 32.3084 176.7048 54 R 4.2001 7.0599 116.6768 55.3547 31.2136 175.2241 55 N 4.0663 8.7503 126.4368 53.6278 41.2750 175.1314 56 G 3.9780 8.3149 112.6594 44.8538 0.0000 173.2044 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 11 K 8.30 4.27 0.00 1.88 2.01 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 12 Q 8.07 3.91 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 13 K 8.83 4.55 0.00 1.86 1.82 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.40 7.81 14 A 8.07 4.68 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 15 V 8.04 4.46 2.12 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 0.85 0.00 0.00 0.95 0.00 0.00 16 F 8.44 4.90 0.00 2.83 2.88 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 17 G 8.13 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 0.00 0.00 0.00 18 I 7.40 4.02 1.60 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 -0.10 0.00 0.00 19 Y 8.01 4.57 0.00 2.96 2.85 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 20 M 8.00 4.66 0.00 2.10 2.04 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 2.48 2.53 0.00 21 D 8.26 4.51 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 3.98 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 23 D 8.10 4.21 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.77 3.87 0.00 1.71 1.63 0.90 0.29 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 25 K 7.89 3.98 0.00 1.98 1.94 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 26 T 8.75 4.00 4.34 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 1.22 0.00 0.00 27 R 8.32 3.88 0.00 1.92 2.22 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 28 L 7.88 4.02 0.00 1.73 1.87 1.00 0.54 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 29 K 8.21 3.95 0.00 1.98 1.98 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 30 V 8.13 3.68 2.30 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 1.00 0.00 0.00 1.05 0.00 0.00 31 Y 8.20 4.08 0.00 3.11 3.13 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 0.00 0.00 0.00 32 C 8.66 4.06 0.00 3.18 3.20 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 0.00 0.00 0.00 0.00 33 A 7.87 4.05 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 34 K 8.18 3.96 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 35 N 7.80 4.54 0.00 2.35 2.60 0.00 0.00 6.36 7.47 0.00 0.00 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 N 7.27 4.22 0.00 2.85 2.84 0.00 0.00 6.93 7.71 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 37 L 7.30 4.27 0.00 1.48 1.62 0.84 1.13 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 38 Q 8.30 4.36 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 39 L 8.63 3.95 0.00 1.69 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.90 3.85 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 1.29 0.00 0.00 41 Q 8.21 4.14 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 42 A 8.36 4.08 1.55 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 43 I 7.97 3.63 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.92 0.00 0.00 44 E 8.57 3.91 0.00 2.14 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 2.31 2.59 0.00 45 E 8.51 3.95 0.00 2.16 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 2.64 2.53 0.00 46 A 8.36 3.92 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 47 I 8.53 3.77 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.95 0.00 0.00 48 K 8.30 3.94 0.00 2.02 2.01 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 49 E 8.46 4.18 0.00 2.19 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 2.32 0.00 50 Y 7.75 4.15 0.00 3.09 3.07 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 0.00 0.00 0.00 0.00 51 L 7.79 3.78 0.00 1.86 1.66 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.65 4.03 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 53 K 7.72 4.09 0.00 1.89 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 R 7.06 4.20 0.00 1.48 1.45 0.00 3.25 0.00 0.00 2.73 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 55 N 8.75 4.07 0.00 2.73 2.78 0.00 0.00 7.34 6.48 0.00 0.00 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 G 8.31 3.98 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 0.00 0.00 0.00