NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.1789 8.0176 115.2382 62.9429 67.4037 173.1246 12 I 3.2282 8.0472 118.1201 60.6162 36.7168 173.4161 13 T 3.9094 7.9393 118.7095 64.3330 69.9940 174.8552 14 P 4.1596 0.0000 0.0000 65.8467 31.2898 179.0614 15 S 4.0607 7.9471 112.5134 61.3579 63.2232 175.9798 16 L 3.7993 7.9766 124.9280 57.6151 41.8194 178.8751 17 K 3.9410 7.4753 116.9698 59.2788 32.0206 178.8954 18 G 3.6416 7.9405 106.2510 47.6191 0.0000 175.4243 19 F 3.9781 8.1442 123.0358 60.9764 39.5143 176.8264 20 F 4.3403 8.1514 116.9565 61.0892 38.7629 177.4770 21 I 3.7810 7.9465 119.0624 64.6308 36.8405 178.6538 22 G 3.6843 7.7757 106.1199 47.1340 0.0000 175.3521 23 L 3.7129 7.6615 123.2347 57.8746 42.0088 178.9080 24 L 3.9277 8.1433 119.4032 57.9624 41.6727 179.8261 25 S 4.1609 8.1610 114.1511 61.2422 62.9283 176.7871 26 G 3.5119 8.2393 109.4317 47.5833 0.0000 175.5895 27 A 3.9699 8.4624 123.9929 54.5167 18.2633 179.9764 28 V 3.4586 7.8623 117.1207 66.2350 31.7873 178.5587 29 V 3.6066 7.8303 118.0085 65.6972 31.2331 178.0896 30 L 3.7795 7.8260 118.8450 57.5640 41.5154 179.3033 31 G 3.6924 8.2039 105.9549 48.0143 0.0000 175.3443 32 L 3.9892 8.2008 122.3696 57.6616 41.8118 179.7571 33 T 3.8997 7.6821 114.9792 66.8652 68.3619 176.7016 34 F 4.5499 8.5394 119.5992 60.4262 38.9558 177.4601 35 A 4.0724 8.1571 120.7778 55.3901 18.1432 180.0865 36 V 3.6294 7.8218 117.4724 64.9815 31.4451 178.5686 37 L 3.9857 7.8597 119.2490 57.7208 41.4827 179.5622 38 I 3.7537 8.6153 119.9563 63.9532 36.8217 178.1654 39 A 3.9460 8.0248 121.8937 55.4980 18.0759 179.8499 40 I 3.6817 7.8833 117.2820 64.3409 37.2399 178.4852 41 S 4.2081 7.8087 113.2627 61.1779 62.2439 175.6621 42 Q 4.0807 7.8467 121.7230 58.1711 29.9370 176.4788 43 I 4.1401 7.0146 122.6343 58.8467 36.3098 175.2784 44 D 4.1540 7.5083 123.3313 55.2043 41.1831 175.3916 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 T 8.02 4.18 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 12 I 8.05 3.23 1.87 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 1.42 0.46 nan 0.00 0.00 13 T 7.94 3.91 4.20 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 1.19 0.00 0.00 14 P 0.00 4.16 0.00 2.14 2.12 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 15 S 7.95 4.06 0.00 4.04 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 16 L 7.98 3.80 0.00 1.59 1.84 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.48 3.94 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 G 7.94 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 19 F 8.14 3.98 0.00 3.22 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 20 F 8.15 4.34 0.00 3.19 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 21 I 7.95 3.78 2.16 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 1.46 1.05 0.88 0.00 0.00 22 G 7.78 3.68 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 0.00 0.00 0.00 23 L 7.66 3.71 0.00 1.16 1.65 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.14 3.93 0.00 1.84 1.66 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.16 4.16 0.00 4.02 4.08 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 0.00 0.00 0.00 26 G 8.24 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.46 2.25 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 1.00 0.00 0.00 0.94 0.00 0.00 29 V 7.83 3.61 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 30 L 7.83 3.78 0.00 1.55 1.25 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.20 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 32 L 8.20 3.99 0.00 1.72 1.74 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.68 3.90 4.56 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 1.29 0.00 0.00 34 F 8.54 4.55 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.16 4.07 1.43 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 0.00 0.00 36 V 7.82 3.63 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 0.87 0.00 0.00 0.95 0.00 0.00 37 L 7.86 3.99 0.00 2.08 1.74 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.62 3.75 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.88 0.00 0.00 39 A 8.02 3.95 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 40 I 7.88 3.68 1.87 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 1.41 0.79 0.91 0.00 0.00 41 S 7.81 4.21 0.00 3.87 4.11 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 0.00 0.00 0.00 0.00 42 Q 7.85 4.08 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.31 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 43 I 7.01 4.14 1.98 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 1.18 0.54 0.91 0.00 0.00 44 D 7.51 4.15 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00