NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3101 8.2493 123.5813 51.0043 19.7793 176.5959 7 P 4.2980 0.0000 0.0000 61.1966 32.1678 175.3872 8 D 4.8000 8.8805 123.2670 52.6317 44.0399 177.6702 9 F 3.9907 8.7027 119.1249 62.2624 39.3242 177.5887 10 H 4.6246 8.3115 115.2962 58.4253 28.4923 177.2995 11 D 4.3110 8.8146 120.5144 57.2710 40.7663 178.7093 12 K 3.7439 7.4301 117.1609 59.0590 32.3766 178.3210 13 Y 4.7292 7.5812 114.4440 57.0574 38.9093 177.7100 14 G 3.9928 8.1613 108.7675 48.2885 0.0000 175.5885 15 N 4.3813 8.1431 118.5382 55.6672 38.5833 177.3320 16 A 4.0087 7.9485 121.7378 55.0483 18.5394 179.4372 17 V 3.5621 7.8916 116.8046 66.1489 31.5007 177.8149 18 L 3.9467 7.9094 119.4427 58.1782 41.9515 178.7094 19 A 4.0150 7.8654 120.2341 55.3865 18.4599 179.7468 20 S 4.4005 8.6230 112.8193 60.7657 63.2779 176.8735 21 G 3.6357 8.3926 109.7904 47.8470 0.0000 175.5911 22 A 4.0892 8.4083 124.3868 54.9230 18.5244 179.9142 23 T 3.8527 8.0073 114.2367 66.7440 68.5403 176.6605 24 F 4.2517 8.7845 122.9354 61.4638 39.5518 176.4494 25 C 3.9405 8.7111 118.5786 62.7312 31.3923 175.8092 26 V 3.6506 7.9830 119.3989 65.7919 31.0757 177.8996 27 A 4.0084 7.9216 120.4963 55.2667 18.3436 180.1081 28 V 3.5877 7.7406 117.8304 64.5278 31.3548 178.7019 29 W 3.9770 8.1514 119.2963 59.3740 28.9259 178.5005 30 V 3.6524 8.0050 118.3122 66.2608 30.9462 177.1646 31 Y 3.9611 8.0977 119.0076 61.0439 38.4408 177.6011 32 M 3.8514 8.3916 117.8816 58.9206 32.3561 177.8882 33 A 4.6757 8.4422 120.0336 54.4945 18.6664 178.6374 34 T 4.5591 7.9560 105.5081 61.5957 70.5798 174.8434 35 Q 4.3418 8.0426 119.0813 55.5911 29.3457 175.7448 36 I 4.2800 7.4250 109.7827 60.1626 38.2181 175.8883 37 G 3.8200 8.2766 107.5117 46.1267 0.0000 173.8771 38 I 3.3794 7.4325 120.0376 60.8861 37.3467 175.5591 39 E 4.2354 8.1755 126.3964 54.6001 28.8262 175.6387 40 W 4.1696 8.5900 127.4281 57.5375 30.1227 176.2635 41 N 4.1534 8.2814 116.0169 53.9764 36.7138 170.5211 42 P 4.6502 0.0000 0.0000 61.6098 33.4132 176.3636 43 S 4.2313 8.3385 113.2085 57.7584 62.6871 172.3225 44 P 4.3151 0.0000 0.0000 64.3118 31.5807 175.8335 45 V 3.6344 7.4528 119.7051 64.8014 31.0861 176.0125 46 G 4.0283 9.0761 116.0722 45.4068 0.0000 172.9760 47 R 4.4678 8.0781 114.9667 55.6094 31.5011 176.1331 48 V 4.2564 7.6141 117.3662 61.0720 33.2332 174.7991 49 T 4.3269 8.3141 123.7052 61.5803 68.6090 173.0428 50 P 4.3472 0.0000 0.0000 62.7079 31.9348 175.8269 51 K 4.6995 8.3120 122.4920 53.9443 35.0533 175.4751 52 E 4.0859 8.8274 124.1941 56.5981 29.8403 176.9693 53 W 4.7594 7.9097 118.2806 56.6676 30.4668 175.3094 54 R 3.5241 6.6348 122.6045 56.0711 29.3205 175.6066 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 6 A 8.25 4.31 1.27 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 0.00 0.00 0.00 7 P 0.00 4.30 0.00 2.18 2.03 0.00 3.73 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 1.92 1.96 0.00 8 D 8.88 4.80 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.70 3.99 0.00 3.24 2.94 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 10 H 8.31 4.62 0.00 3.30 3.43 0.00 5.68 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 11 D 8.81 4.31 0.00 2.65 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 12 K 7.43 3.74 0.00 0.79 0.74 0.00 1.13 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.36 7.81 13 Y 7.58 4.73 0.00 2.42 2.68 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 0.00 0.00 0.00 0.00 14 G 8.16 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.14 4.38 0.00 2.75 2.89 0.00 0.00 6.93 8.12 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 16 A 7.95 4.01 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 17 V 7.89 3.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.11 0.00 0.00 18 L 7.91 3.95 0.00 1.87 1.85 0.95 1.30 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 19 A 7.87 4.02 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 20 S 8.62 4.40 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 3.64 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 0.00 0.00 0.00 22 A 8.41 4.09 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 23 T 8.01 3.85 4.40 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 1.28 0.00 0.00 24 F 8.78 4.25 0.00 3.11 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.71 3.94 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 26 V 7.98 3.65 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 7.92 4.01 1.41 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 0.00 0.00 28 V 7.74 3.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.76 0.00 0.00 29 W 8.15 3.98 0.00 3.52 3.30 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 30 V 8.00 3.65 2.23 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 1.04 0.00 0.00 1.01 0.00 0.00 31 Y 8.10 3.96 0.00 3.19 3.21 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 32 M 8.39 3.85 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.44 4.68 1.52 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 0.00 0.00 34 T 7.96 4.56 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 1.23 0.00 0.00 35 Q 8.04 4.34 0.00 0.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.05 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 36 I 7.43 4.28 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 0.64 0.00 0.00 37 G 8.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.43 3.38 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 -0.21 0.00 0.00 39 E 8.18 4.24 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 2.21 2.35 0.00 40 W 8.59 4.17 0.00 3.39 3.30 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 41 N 8.28 4.15 0.00 2.83 2.85 0.00 0.00 7.23 7.80 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 42 P 0.00 4.65 0.00 2.24 2.12 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.34 4.23 0.00 3.86 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 44 P 0.00 4.32 0.00 2.34 2.29 0.00 3.50 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 2.07 2.06 0.00 45 V 7.45 3.63 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 0.76 0.00 0.00 0.93 0.00 0.00 46 G 9.08 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.08 4.47 0.00 1.88 2.02 0.00 3.05 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 48 V 7.61 4.26 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 0.87 0.00 0.00 0.94 0.00 0.00 49 T 8.31 4.33 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 1.23 0.00 0.00 50 P 0.00 4.35 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.31 4.70 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.83 4.09 0.00 1.95 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 2.30 2.20 0.00 53 W 7.91 4.76 0.00 3.52 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 6.63 3.52 0.00 0.67 0.66 0.00 2.93 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.00