NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3071 8.1233 123.5834 52.3898 20.6495 178.7545 2 E 3.9844 7.4195 114.3086 56.4130 30.5424 176.9098 3 P 4.3710 0.0000 0.0000 65.6168 32.3737 178.1152 4 N 4.2793 8.1516 116.1698 56.3971 38.5175 176.9015 5 A 3.9907 7.9566 121.6094 54.9959 18.4375 179.3111 6 A 4.0681 7.8982 119.0377 55.9736 18.4893 180.0804 7 T 3.9995 8.1165 113.5205 66.1100 68.4617 176.9109 8 N 4.2441 8.0697 118.9188 56.5163 38.4660 176.8783 9 Y 4.3672 7.8991 119.1835 60.4624 37.9809 178.3716 10 A 4.0620 8.1136 121.6917 55.7538 18.5177 179.7422 11 T 3.8530 8.0802 114.0467 66.7150 67.9161 176.5331 12 E 3.9350 8.0862 119.7177 59.6294 29.6338 179.4543 13 A 4.1151 7.8485 120.5323 55.2373 18.3638 179.6029 14 M 4.0563 8.1621 117.6360 58.7179 32.0298 178.6205 15 D 4.4387 8.3136 119.0198 57.1957 41.0325 178.9664 16 S 4.1742 8.0335 115.5671 61.6016 62.8061 176.7182 17 L 4.0532 8.0960 121.6756 57.2991 41.2705 179.5577 18 K 3.9166 8.1334 119.8040 59.8073 32.2152 178.9710 19 T 3.8806 7.8952 115.9170 66.9730 68.4402 176.7730 20 Q 4.0377 8.2238 119.5555 58.6684 28.6664 178.5746 21 A 3.9882 8.0904 122.1145 55.1539 18.4034 179.6418 22 I 3.7133 7.8683 118.3396 64.5883 37.2782 178.3504 23 D 4.3714 8.1318 119.6865 57.3341 40.6571 178.7828 24 L 4.0485 7.8836 119.6258 57.8431 41.7918 179.6501 25 I 3.3271 7.4456 114.1683 63.3557 36.9655 178.4150 26 S 4.3638 7.6704 115.9268 61.4064 62.6128 176.2972 27 Q 4.1189 7.9372 120.6165 58.9661 28.2384 178.6186 28 T 3.8057 7.3547 116.5863 66.2085 68.2968 176.4753 29 W 4.4778 7.5490 120.3631 59.6175 29.1811 176.7540 30 P 4.8438 0.0000 0.0000 64.7775 30.6706 179.0062 31 V 3.5391 7.3753 117.2590 66.1147 31.5798 178.3558 32 V 3.7059 7.7806 117.7855 65.8590 31.2637 177.9615 33 T 3.9332 8.3114 110.4211 65.1133 68.5300 176.5211 34 T 3.9049 7.9962 112.8141 64.3116 68.6813 176.5190 35 V 3.5758 7.8191 121.1079 65.9725 31.5050 178.2597 36 V 3.7014 7.9963 117.6218 65.5096 31.2628 178.2316 37 V 3.5684 7.8274 118.3132 65.9140 31.5231 177.7360 38 A 4.1424 8.0751 120.6329 55.0400 18.1909 179.8791 39 G 3.5632 8.1428 104.1610 48.1015 0.0000 176.0568 40 L 4.0668 8.1361 122.1923 57.1240 41.6224 179.8734 41 V 3.5846 7.8898 118.2117 66.1021 31.6205 178.0691 42 I 3.8488 7.6704 119.1274 64.7700 37.0035 178.7809 43 R 4.0812 8.1061 118.5359 59.0001 29.8011 179.1247 44 L 4.0940 8.0972 119.2341 57.6652 41.6791 179.2928 45 F 4.1381 8.2087 117.8464 60.6902 38.8872 177.7445 46 K 4.0750 8.3938 117.9246 59.5708 31.8109 179.4606 47 K 4.0557 8.3014 118.7721 59.2548 32.0022 179.1831 48 F 4.0738 8.5154 118.1792 60.8107 38.8062 177.8920 49 S 4.1987 8.1653 113.8978 61.8857 62.4973 176.9105 50 S 4.1710 7.9259 116.2974 61.6957 62.6426 176.7319 51 K 4.0990 7.9670 119.8479 59.3628 31.8916 179.0858 52 A 4.1359 7.7958 119.4273 54.3479 18.3175 178.0746 53 V 3.8641 7.3820 120.9868 63.3028 31.7860 175.4267 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 A 8.12 4.31 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 2 E 7.42 3.98 0.00 2.14 1.94 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 2.41 2.37 0.00 3 P 0.00 4.37 0.00 2.27 2.32 0.00 3.71 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 2.08 2.06 0.00 4 N 8.15 4.28 0.00 2.85 2.90 0.00 0.00 7.05 8.07 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 5 A 7.96 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.90 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.00 4.32 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 0.00 0.00 0.00 1.22 0.00 0.00 8 N 8.07 4.24 0.00 2.82 2.62 0.00 0.00 6.84 7.38 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 9 Y 7.90 4.37 0.00 2.94 2.97 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 10 A 8.11 4.06 1.40 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 0.00 0.00 0.00 11 T 8.08 3.85 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 1.25 0.00 0.00 12 E 8.09 3.93 0.00 2.25 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 2.30 2.43 0.00 13 A 7.85 4.12 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 14 M 8.16 4.06 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 15 D 8.31 4.44 0.00 2.70 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 16 S 8.03 4.17 0.00 3.92 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 17 L 8.10 4.05 0.00 1.91 1.72 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.13 3.92 0.00 1.97 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 19 T 7.90 3.88 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 1.23 0.00 0.00 20 Q 8.22 4.04 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 21 A 8.09 3.99 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 22 I 7.87 3.71 1.92 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 1.61 1.05 1.05 0.00 0.00 23 D 8.13 4.37 0.00 2.85 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 24 L 7.88 4.05 0.00 1.61 1.63 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.45 3.33 0.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.65 0.00 0.00 26 S 7.67 4.36 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 27 Q 7.94 4.12 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 28 T 7.35 3.81 3.80 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 1.09 0.00 0.00 29 W 7.55 4.48 0.00 3.51 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 30 P 0.00 4.84 0.00 2.20 2.17 0.00 4.04 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 31 V 7.38 3.54 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 0.99 0.00 0.00 1.00 0.00 0.00 32 V 7.78 3.71 2.17 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 1.06 0.00 0.00 0.96 0.00 0.00 33 T 8.31 3.93 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 34 T 8.00 3.90 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 35 V 7.82 3.58 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 1.00 0.00 0.00 1.01 0.00 0.00 36 V 8.00 3.70 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 1.03 0.00 0.00 0.98 0.00 0.00 37 V 7.83 3.57 2.22 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 0.98 0.00 0.00 1.03 0.00 0.00 38 A 8.08 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.07 0.00 1.80 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.89 3.58 2.24 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 1.17 0.00 0.00 0.99 0.00 0.00 42 I 7.67 3.85 2.12 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 1.53 0.82 0.95 0.00 0.00 43 R 8.11 4.08 0.00 2.01 2.02 0.00 3.33 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 44 L 8.10 4.09 0.00 1.75 1.76 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.21 4.14 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.08 0.00 2.01 1.93 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.69 7.81 47 K 8.30 4.06 0.00 1.97 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.64 7.81 48 F 8.52 4.07 0.00 3.39 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 49 S 8.17 4.20 0.00 3.99 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 50 S 7.93 4.17 0.00 3.96 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 51 K 7.97 4.10 0.00 1.72 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.52 7.81 52 A 7.80 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.86 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 0.83 0.00 0.00 1.06 0.00 0.00