NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8723 8.3244 122.8260 57.1224 41.7521 174.1659 2 V 4.0789 7.3832 119.5553 60.8410 34.4355 172.9426 3 N 4.7826 8.7905 127.6245 54.2324 40.2385 173.4865 4 Q 4.5201 7.5836 115.7594 53.7683 32.4033 174.0339 5 H 4.4748 8.5566 119.4983 55.5197 28.8024 174.9535 6 L 4.7675 8.3957 124.5029 53.1037 44.0838 175.5562 7 C 4.8831 8.1895 118.6851 58.4406 33.5136 177.1760 8 G 3.9543 8.4392 111.0996 46.7746 0.0000 177.1443 9 S 3.7568 8.6671 121.2708 60.9051 63.3535 175.9316 10 H 4.1801 8.3504 119.0965 58.4296 28.1871 177.5356 11 L 3.8592 7.3665 121.8673 58.3560 41.9912 179.4770 12 V 3.2396 7.3313 111.2187 63.6371 31.5980 178.4912 13 Q 3.9256 7.6261 117.9258 58.5444 28.5042 178.3069 14 A 4.0340 7.6510 121.4715 55.1546 18.5355 179.3206 15 L 3.6973 7.8769 117.9439 58.2296 41.6276 179.0672 16 Y 4.2751 7.5642 119.1848 61.2828 38.4468 177.6139 17 L 3.9605 7.7628 119.4656 57.8759 42.2474 178.3566 18 V 3.6310 8.2763 119.4300 66.1780 31.6827 177.5603 19 C 4.3860 8.7092 114.2788 59.9683 29.3035 176.4932 20 G 3.5138 8.5855 110.9129 46.4727 0.0000 175.8855 21 E 3.8051 8.5033 122.1288 58.7624 30.0584 178.3551 22 R 4.1427 7.8360 116.9795 57.2903 30.9664 175.5579 23 G 3.8364 8.9868 101.4483 44.7744 0.0000 171.9630 24 F 4.8623 7.8593 111.4415 55.7622 40.1797 173.2836 25 F 4.8264 8.3266 117.1225 55.2810 38.7764 174.3976 26 Y 4.6715 8.8330 127.7196 56.6185 38.7905 175.3207 27 T 4.3380 7.8642 124.1269 61.3659 69.7254 171.8266 28 P 4.4223 0.0000 0.0000 62.8373 31.9583 177.9326 29 K 4.1833 7.8113 118.4177 58.2757 32.4341 176.9372 30 T 4.2115 7.5743 113.7673 61.6770 68.8684 173.5839 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 F 8.32 4.87 0.00 2.87 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 2 V 7.38 4.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.26 0.00 0.00 3 N 8.79 4.78 0.00 2.69 2.75 0.00 0.00 6.90 7.08 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 4 Q 7.58 4.52 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 5 H 8.56 4.47 0.00 3.17 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.40 4.77 0.00 1.60 1.54 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.19 4.88 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.44 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 0.00 0.00 0.00 9 S 8.67 3.76 0.00 3.89 4.02 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 10 H 8.35 4.18 0.00 3.48 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.37 3.86 0.00 1.64 1.63 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.33 3.24 1.91 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 -0.07 0.00 0.00 0.84 0.00 0.00 13 Q 7.63 3.93 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 14 A 7.65 4.03 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 15 L 7.88 3.70 0.00 0.97 0.71 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.56 4.28 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.96 0.00 2.02 1.94 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.28 3.63 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 0.74 0.00 0.00 0.62 0.00 0.00 19 C 8.71 4.39 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 21 E 8.50 3.81 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 22 R 7.84 4.14 0.00 2.00 1.99 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 23 G 8.99 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.86 4.86 0.00 3.01 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 25 F 8.33 4.83 0.00 3.21 3.11 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 26 Y 8.83 4.67 0.00 3.17 3.21 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 0.00 27 T 7.86 4.34 4.42 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 1.22 0.00 0.00 28 P 0.00 4.42 0.00 2.08 1.45 0.00 3.48 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 29 K 7.81 4.18 0.00 1.75 1.89 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.34 7.81 30 T 7.57 4.21 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 1.22 0.00 0.00