NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0482 7.9127 120.3929 62.4635 33.8504 177.0848 4 K 3.7040 8.1939 120.6986 59.6686 32.0054 177.0048 5 Q 3.9838 8.2113 118.0660 58.6704 29.0176 177.8675 6 L 3.9400 7.9012 120.8408 58.0058 42.1552 178.6268 7 A 3.9854 8.2802 121.0137 55.4126 18.3760 179.3347 8 D 4.2811 8.4723 117.4245 57.4283 40.8255 178.9461 9 A 3.9971 8.1566 121.3293 55.1613 18.3055 179.8787 10 V 3.5561 8.0617 116.9325 66.1558 31.5924 178.1425 11 E 4.0091 8.5274 118.6612 59.3798 29.1743 179.1867 12 E 4.0185 8.2155 118.6936 59.2224 29.4714 179.0968 13 L 3.9279 8.2040 120.3035 57.9952 42.0778 178.7804 14 A 3.9805 8.3525 121.1060 55.2857 18.2898 179.5490 15 S 4.1976 8.3106 111.3268 61.5611 62.4325 176.1536 16 A 4.0490 8.3280 123.6769 55.4591 18.0536 179.3996 17 N 4.3797 8.5068 114.8512 56.2141 38.5775 177.4142 18 Y 4.0243 8.2785 118.7012 61.4141 38.0149 178.1924 19 H 4.1652 8.6121 117.2327 58.7041 28.7096 177.5361 20 L 3.9598 8.4357 122.3075 58.1462 41.8512 178.8197 21 A 3.9891 8.3253 120.9571 55.4613 18.3376 179.4339 22 N 4.3265 8.4479 114.6828 56.2407 38.5761 177.6379 23 A 4.0107 8.1914 122.3718 55.1554 18.4443 179.8760 24 V 3.5462 8.2134 116.9688 65.9752 31.5906 178.0147 25 A 4.0155 8.4076 121.0051 55.3064 18.2165 179.8496 26 R 3.8969 8.1126 116.5268 59.2332 30.0310 179.0613 27 L 3.9511 8.0516 119.9793 58.0153 42.0108 178.8111 28 A 3.9690 8.3812 121.1971 54.9967 18.3758 179.4890 29 K 3.8332 8.1809 117.8383 59.6349 32.0780 178.9149 30 A 3.9844 7.8320 119.7397 55.1483 18.3780 179.5236 31 V 3.7816 7.9739 116.1979 66.1166 31.7346 178.3488 32 G 3.7104 8.2718 104.5345 47.0543 0.0000 173.7703 33 E 4.3784 7.9368 124.4440 56.4278 29.8514 175.7979 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 3 V 7.91 4.05 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 1.02 0.00 0.00 0.93 0.00 0.00 4 K 8.19 3.70 0.00 1.94 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.59 7.81 5 Q 8.21 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 6 L 7.90 3.94 0.00 1.75 1.83 0.92 0.99 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 7 A 8.28 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.28 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 3.56 2.21 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 1.12 0.00 0.00 0.99 0.00 0.00 11 E 8.53 4.01 0.00 2.21 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 2.36 2.50 0.00 12 E 8.22 4.02 0.00 2.20 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 2.49 2.47 0.00 13 L 8.20 3.93 0.00 1.76 1.84 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.35 3.98 1.45 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 0.00 0.00 0.00 15 S 8.31 4.20 0.00 3.99 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 A 8.33 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.38 0.00 2.76 2.79 0.00 0.00 7.05 6.99 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 18 Y 8.28 4.02 0.00 3.31 2.92 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 19 H 8.61 4.17 0.00 3.47 3.40 0.00 5.82 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 8.44 3.96 0.00 1.83 1.85 0.93 1.07 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 21 A 8.33 3.99 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 22 N 8.45 4.33 0.00 2.92 2.89 0.00 0.00 6.94 6.90 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 23 A 8.19 4.01 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 24 V 8.21 3.55 2.20 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 1.08 0.00 0.00 0.99 0.00 0.00 25 A 8.41 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.90 0.00 2.07 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 27 L 8.05 3.95 0.00 1.77 1.85 0.92 0.97 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 28 A 8.38 3.97 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 29 K 8.18 3.83 0.00 1.85 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 A 7.83 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.78 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 0.85 0.00 0.00 1.01 0.00 0.00 32 G 8.27 3.71 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 0.00 0.00 0.00 33 E 7.94 4.38 0.00 2.07 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 0.00 2.29 2.37 0.00