NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2614 8.1744 115.2431 62.1490 69.0253 174.6850 2 S 4.2196 7.9643 112.8299 58.5563 62.7747 171.8169 3 S 4.7151 8.5887 115.1742 59.0443 63.4248 173.6047 4 I 4.4292 7.3041 117.6865 61.5534 39.9517 177.6695 5 V 3.5444 7.9117 118.5588 66.6983 31.0447 177.3441 6 H 4.0628 8.2529 116.0483 59.4308 29.8309 176.1821 7 L 4.0196 7.7848 121.0713 58.4889 41.9145 178.0877 8 C 3.8862 8.5017 117.2768 62.6384 31.3330 175.1770 9 A 4.0885 8.3974 122.1355 55.0802 17.1383 179.3951 10 I 3.8682 8.3334 119.0423 63.8258 38.5082 177.1640 11 S 4.7214 7.6720 114.0124 56.7642 61.4604 171.8187 12 L 4.8158 7.5960 127.6267 57.0413 49.8100 175.9383 13 D 4.4939 7.8467 118.7422 57.5286 41.3339 178.7625 14 R 3.6806 7.9161 117.0657 59.2245 30.0580 176.5027 15 Y 4.8671 8.1292 115.2323 57.8572 37.6641 174.8698 16 W 5.0194 8.1415 128.6972 58.4520 34.2334 176.6420 17 S 3.7553 8.2832 111.3657 61.7927 61.8288 176.3266 18 I 3.6478 7.8861 121.3355 65.0234 36.6349 177.8782 19 T 3.9238 7.8632 114.6758 67.0775 68.4291 175.2435 20 Q 3.7977 7.4865 119.9172 58.5660 30.1683 178.2902 21 A 4.6037 7.7641 121.2819 50.8699 16.0949 176.9909 22 I 3.7862 7.1664 126.2165 62.4499 39.1426 177.3539 23 E 3.9123 8.2293 119.4577 59.0093 29.5912 176.9292 24 Y 4.3618 7.4413 119.0685 60.3826 38.8913 176.0932 25 N 4.7478 8.2679 116.3713 51.0038 39.0564 172.0314 26 L 4.6125 7.5096 118.6284 54.9977 45.5317 176.9391 27 K 4.4888 7.4364 121.8332 54.2817 32.8232 176.1841 28 R 4.2187 7.9690 118.6067 55.4279 31.6372 177.4635 29 T 3.4315 8.2511 112.3404 64.1172 65.5284 170.2972 30 P 4.3360 0.0000 0.0000 62.2240 32.7046 176.5978 31 R 4.4843 8.4058 122.3632 54.5666 31.2864 175.5956 32 R 4.1523 8.3150 124.5242 56.7676 30.1203 174.2033 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 T 8.17 4.26 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 1.21 0.00 0.00 2 S 7.96 4.22 0.00 3.94 3.85 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 3 S 8.59 4.72 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.30 4.43 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 1.30 0.78 0.91 0.00 0.00 5 V 7.91 3.54 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 1.11 0.00 0.00 0.93 0.00 0.00 6 H 8.25 4.06 0.00 3.12 3.38 0.00 5.98 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.78 4.02 0.00 1.80 1.87 0.93 0.85 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 8 C 8.50 3.89 0.00 2.96 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 9 A 8.40 4.09 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 10 I 8.33 3.87 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.89 0.00 0.00 11 S 7.67 4.72 0.00 4.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.82 0.00 1.83 1.69 0.96 0.94 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 13 D 7.85 4.49 0.00 2.89 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 R 7.92 3.68 0.00 1.46 0.91 0.00 3.05 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.38 0.00 15 Y 8.13 4.87 0.00 3.14 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 16 W 8.14 5.02 0.00 3.26 3.12 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 17 S 8.28 3.76 0.00 3.91 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 18 I 7.89 3.65 1.94 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 1.68 0.99 0.97 0.00 0.00 19 T 7.86 3.92 4.45 0.00 0.00 0.00 0.00 0.00 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 20 Q 7.49 3.80 0.00 1.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 21 A 7.76 4.60 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 3.79 2.16 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 1.30 2.05 0.92 0.00 0.00 23 E 8.23 3.91 0.00 1.96 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 2.30 2.38 0.00 24 Y 7.44 4.36 0.00 2.68 3.19 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 0.00 0.00 0.00 25 N 8.27 4.75 0.00 2.67 2.64 0.00 0.00 5.84 8.00 0.00 0.00 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 7.51 4.61 0.00 1.53 1.51 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.44 4.49 0.00 1.69 1.66 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 28 R 7.97 4.22 0.00 1.84 1.83 0.00 3.08 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 1.50 1.59 0.00 29 T 8.25 3.43 4.21 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 1.19 0.00 0.00 30 P 0.00 4.34 0.00 2.16 2.04 0.00 3.71 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 31 R 8.41 4.48 0.00 1.76 1.85 0.00 3.22 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 32 R 8.31 4.15 0.00 1.75 1.70 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00