NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4545 8.1814 115.4125 58.2844 64.5954 173.4371 2 G 3.4855 8.4799 105.1396 46.2298 0.0000 174.0535 3 I 3.9466 7.8946 114.3030 62.8385 38.2270 176.5476 4 V 3.6857 7.0808 119.5919 65.7291 31.5969 177.6141 5 Q 3.9629 7.9044 118.8486 58.9929 28.8414 178.0682 6 Q 4.0609 8.0507 120.7237 59.3742 29.1820 178.1966 7 Q 4.0486 7.8962 118.9700 58.9099 28.5968 178.5683 8 N 4.3619 8.3583 117.7337 56.3390 38.5430 177.1487 9 D 4.3454 8.1345 120.3005 57.3836 40.9292 178.8356 10 L 3.9768 8.0037 119.4405 57.6754 41.5221 179.3662 11 L 3.9618 8.0661 120.2429 58.2776 41.9897 179.2405 12 R 4.2270 8.5355 119.2895 58.5758 29.8522 178.9375 13 A 3.9785 8.1216 120.6996 55.2479 18.4332 179.7495 14 I 3.6524 7.8818 118.3246 64.5585 36.9595 178.5564 15 E 3.9591 8.5735 119.5651 59.3714 29.2793 179.3312 16 A 4.0897 8.2927 120.9872 55.2918 18.4515 179.7625 17 Q 4.0042 8.4826 116.9344 58.9519 28.6278 178.7200 18 Q 4.0145 8.1314 120.8724 59.3514 29.0583 177.9559 19 H 4.1470 8.0455 116.9213 58.7590 28.7730 177.5248 20 L 3.9770 7.9883 122.1850 57.9894 41.8982 178.7154 21 L 3.9717 8.4129 120.7190 58.3981 41.9617 179.0456 22 Q 4.0521 8.3883 118.1311 58.8560 28.5537 178.7772 23 L 4.0893 8.0783 120.4587 58.0015 41.6104 179.6521 24 T 3.9749 8.1169 109.8711 64.6658 68.6417 176.8094 25 V 3.7039 8.0786 121.1815 65.5892 31.6070 177.7603 26 W 4.2332 8.6870 128.4370 60.4344 30.6734 178.0477 27 G 3.6929 8.6065 105.7266 48.0066 0.0000 175.7159 28 I 3.6533 8.0439 122.5520 63.8934 37.0934 178.6730 29 K 4.4619 8.1576 120.8256 59.1374 31.6519 179.4145 30 Q 3.7271 7.4109 117.1284 58.7932 28.6230 178.5667 31 L 4.0559 7.6373 119.7080 57.7486 41.6353 179.5687 32 Q 3.9518 8.0642 117.9900 58.8334 28.6593 178.5745 33 A 4.4205 8.1039 122.9850 54.3227 18.1035 179.4933 34 R 3.8919 7.4575 117.0573 58.7595 30.1257 177.7075 35 S 4.6618 8.5913 111.0481 59.4747 64.1153 173.8404 36 G 3.6961 7.9602 109.7541 44.4137 0.0000 173.4537 37 G 3.7504 8.4249 110.3258 46.0723 0.0000 173.1808 38 R 4.6382 8.5111 120.7404 56.0340 30.9564 179.1481 39 G 3.6157 8.3145 110.2187 48.7752 0.0000 176.4421 40 G 3.2433 7.5931 106.3180 46.4883 0.0000 174.2710 41 W 5.1893 7.7318 119.7371 56.7794 29.5258 177.1224 42 M 4.1398 7.9100 121.3508 58.9199 31.5416 178.0543 43 E 4.0297 8.2619 118.8898 58.9087 29.9421 178.2002 44 W 4.2840 8.5203 128.0100 60.7193 30.8070 177.3904 45 D 4.3105 9.0937 119.1235 57.3839 40.2741 178.7537 46 R 3.8714 8.0630 119.0284 59.4973 30.0177 178.3683 47 E 3.8849 8.3541 118.3719 59.4550 29.5115 179.3527 48 I 3.5561 7.5926 119.7596 64.4663 37.1101 178.1982 49 N 4.2918 8.4095 117.5604 56.3525 38.3531 177.2806 50 N 4.2027 8.4396 118.1381 56.6527 38.6106 177.2375 51 Y 4.0821 8.1104 118.3084 61.1798 37.7777 178.7962 52 T 3.8115 8.0396 116.9931 66.5850 68.5095 177.0020 53 S 4.0617 8.0290 117.2103 61.2848 62.8488 176.3866 54 L 3.9369 7.9884 123.0630 58.3370 41.7901 179.1817 55 I 3.7606 7.9735 119.7932 64.7126 36.9330 178.1390 56 H 4.2930 8.4466 117.5140 58.8361 28.5197 178.0547 57 S 4.1270 8.2856 116.1460 61.4586 62.8594 176.5754 58 L 4.0372 8.0251 122.7438 57.4714 41.3377 179.5957 59 I 3.7187 8.1735 120.2051 64.1934 36.9819 178.0602 60 E 3.8736 8.4167 120.3918 59.2117 29.2784 178.3895 61 E 3.8984 8.4204 118.1929 59.5524 29.8033 178.4790 62 S 4.2748 8.1581 114.0636 61.9163 62.9610 176.5917 63 Q 4.1415 7.9520 119.5312 57.9888 29.3944 177.6453 64 N 5.0803 8.0384 117.8403 52.6641 37.5585 176.0271 65 Q 4.0949 7.8119 120.6644 59.0935 29.9600 177.5700 66 Q 4.2511 7.8599 117.5623 55.7853 29.7419 175.7444 67 E 4.5666 7.8275 118.3762 57.1058 28.9404 175.7117 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 S 8.18 4.45 0.00 4.02 4.12 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 0.00 0.00 0.00 0.00 2 G 8.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.89 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 0.91 0.00 0.00 4 V 7.08 3.69 2.27 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 0.99 0.00 0.00 0.97 0.00 0.00 5 Q 7.90 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 6 Q 8.05 4.06 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 7 Q 7.90 4.05 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 8 N 8.36 4.36 0.00 2.95 2.86 0.00 0.00 6.96 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.13 4.35 0.00 2.87 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 10 L 8.00 3.98 0.00 1.87 1.72 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.07 3.96 0.00 1.84 1.85 0.92 0.85 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 12 R 8.54 4.23 0.00 2.07 1.97 0.00 3.19 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 13 A 8.12 3.98 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 14 I 7.88 3.65 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.91 0.00 0.00 15 E 8.57 3.96 0.00 2.15 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 2.33 2.58 0.00 16 A 8.29 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 17 Q 8.48 4.00 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 18 Q 8.13 4.01 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 19 H 8.05 4.15 0.00 3.42 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.99 3.98 0.00 1.93 1.85 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.41 3.97 0.00 1.99 1.78 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.39 4.05 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 23 L 8.08 4.09 0.00 1.96 1.77 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.12 3.97 4.30 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 1.29 0.00 0.00 25 V 8.08 3.70 2.31 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 1.06 0.00 0.00 0.89 0.00 0.00 26 W 8.69 4.23 0.00 3.57 3.42 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 27 G 8.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.65 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.49 0.00 0.00 29 K 8.16 4.46 0.00 1.80 1.78 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.73 7.81 30 Q 7.41 3.73 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 31 L 7.64 4.06 0.00 1.77 1.61 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.06 3.95 0.00 2.16 2.21 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 1.76 2.23 0.00 33 A 8.10 4.42 1.32 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 0.00 0.00 0.00 34 R 7.46 3.89 0.00 1.74 2.14 0.00 3.23 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 35 S 8.59 4.66 0.00 4.07 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 36 G 7.96 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.51 4.64 0.00 2.02 2.25 0.00 3.34 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 39 G 8.31 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 40 G 7.59 3.24 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 0.00 0.00 0.00 0.00 41 W 7.73 5.19 0.00 3.57 3.27 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 42 M 7.91 4.14 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 43 E 8.26 4.03 0.00 2.20 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 0.00 2.47 2.72 0.00 44 W 8.52 4.28 0.00 3.67 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 45 D 9.09 4.31 0.00 3.08 2.79 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 46 R 8.06 3.87 0.00 2.06 2.12 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 47 E 8.35 3.88 0.00 2.17 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 0.00 2.37 2.67 0.00 48 I 7.59 3.56 1.67 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.29 0.68 0.00 0.00 49 N 8.41 4.29 0.00 2.83 2.83 0.00 0.00 7.09 6.57 0.00 0.00 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 N 8.44 4.20 0.00 2.57 2.58 0.00 0.00 7.06 7.13 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 51 Y 8.11 4.08 0.00 2.92 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 52 T 8.04 3.81 4.33 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 0.98 0.00 0.00 53 S 8.03 4.06 0.00 3.98 3.88 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 54 L 7.99 3.94 0.00 1.99 1.80 0.87 0.99 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 55 I 7.97 3.76 1.97 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 1.54 0.70 0.94 0.00 0.00 56 H 8.45 4.29 0.00 3.34 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.29 4.13 0.00 4.06 4.12 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 0.00 0.00 0.00 0.00 58 L 8.03 4.04 0.00 1.91 1.77 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.17 3.72 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.93 0.00 0.00 60 E 8.42 3.87 0.00 2.12 2.16 0.00 0.00 0.00 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 2.36 0.00 61 E 8.42 3.90 0.00 1.95 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 0.00 2.33 2.36 0.00 62 S 8.16 4.27 0.00 4.00 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 63 Q 7.95 4.14 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.42 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 64 N 8.04 5.08 0.00 2.78 2.80 0.00 0.00 7.09 7.39 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 65 Q 7.81 4.09 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 66 Q 7.86 4.25 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 67 E 7.83 4.57 0.00 2.01 1.85 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 2.04 2.15 0.00