NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3972 8.3344 115.4125 58.1418 64.4787 174.2935 2 V 3.7613 7.7383 122.9274 61.0274 29.9664 172.7597 3 Q 4.5601 7.8551 122.3921 54.8420 31.9689 174.3251 4 I 3.8342 8.2445 118.4908 63.6947 37.5912 176.2136 5 L 3.9438 7.2217 120.2697 52.0290 42.0794 172.6864 6 R 3.7690 7.9919 127.4097 56.4555 31.5811 177.7204 7 C 4.9994 8.3556 121.9050 54.1233 36.2778 172.6674 8 P 4.3899 0.0000 0.0000 62.0962 31.6260 174.9049 9 D 4.5457 8.5835 119.2585 56.3614 41.1395 175.7246 10 G 3.9264 8.8612 113.5390 45.6061 0.0000 172.5768 11 M 4.4093 7.7188 119.5173 53.7355 33.0078 175.7469 12 Q 4.3271 8.5861 126.8262 55.2881 30.4885 174.4577 13 M 4.7527 8.6489 126.5412 54.9643 33.7724 175.3400 14 L 4.7003 8.6147 125.2520 52.6482 44.0500 177.9081 15 R 3.9915 8.4516 116.5069 59.4817 29.4417 178.4734 16 S 4.1915 7.9385 113.9790 61.0663 63.0852 173.8310 17 G 3.6229 7.6006 110.2450 45.7762 0.0000 174.6626 18 Q 4.0020 8.1148 119.3632 56.1930 29.2726 175.5857 19 C 5.0543 8.5452 121.2600 55.0764 41.5202 173.6677 20 V 4.1370 8.9311 128.6382 61.4625 31.4137 175.1049 21 A 4.4252 8.3788 129.6313 51.7161 19.2840 178.0537 22 T 4.1462 8.2396 116.0215 62.0233 64.6348 173.8440 23 T 4.6553 7.6164 120.9281 61.0648 68.6760 173.6197 24 E 4.1454 8.1921 118.4772 54.5710 30.2627 175.1325 25 P 4.2764 0.0000 0.0000 61.7072 31.1917 174.6158 26 P 4.3742 0.0000 0.0000 61.1978 32.5061 175.3860 27 F 4.1213 7.7981 113.5499 56.9318 37.6060 174.2153 28 D 4.2570 8.8434 125.9448 53.8626 40.4547 174.6327 29 P 4.5786 0.0000 0.0000 63.1369 31.5463 175.9391 30 D 4.4906 7.9064 116.0517 54.1464 41.0147 175.0602 31 S 3.8475 7.7409 112.7134 57.5931 61.8978 171.6303 32 Y 4.3853 7.2965 124.8350 57.3792 38.0495 175.9846 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 8.33 4.40 0.00 3.99 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 2 V 7.74 3.76 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 0.80 0.00 0.00 0.93 0.00 0.00 3 Q 7.86 4.56 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 4 I 8.24 3.83 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 1.41 0.81 0.91 0.00 0.00 5 L 7.22 3.94 0.00 1.65 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.99 3.77 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 7 C 8.36 5.00 0.00 2.94 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 8 P 0.00 4.39 0.00 2.17 2.03 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 9 D 8.58 4.55 0.00 2.66 2.63 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 0.00 0.00 0.00 0.00 10 G 8.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.72 4.41 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 12 Q 8.59 4.33 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 13 M 8.65 4.75 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 14 L 8.61 4.70 0.00 1.72 1.55 0.95 1.11 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 15 R 8.45 3.99 0.00 1.91 2.07 0.00 3.03 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 16 S 7.94 4.19 0.00 3.88 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 17 G 7.60 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 18 Q 8.11 4.00 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 19 C 8.55 5.05 0.00 2.95 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 20 V 8.93 4.14 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 0.86 0.00 0.00 0.93 0.00 0.00 21 A 8.38 4.43 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.24 4.15 4.31 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 1.23 0.00 0.00 23 T 7.62 4.66 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 24 E 8.19 4.15 0.00 1.98 1.84 0.00 0.00 0.00 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 2.23 0.00 25 P 0.00 4.28 0.00 2.14 2.06 0.00 3.74 0.00 0.00 3.68 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 26 P 0.00 4.37 0.00 1.44 1.82 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 27 F 7.80 4.12 0.00 3.12 3.14 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 28 D 8.84 4.26 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.58 0.00 2.04 2.09 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 30 D 7.91 4.49 0.00 2.43 2.28 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 0.00 31 S 7.74 3.85 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.30 4.39 0.00 3.06 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