NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7403 8.3804 121.1062 58.1085 41.6901 176.2972 2 A 3.2014 7.6946 127.4337 52.5518 17.2101 177.2986 3 G 3.4472 9.5480 107.7764 48.6597 0.0000 173.7922 4 V 3.5714 7.3506 121.6126 61.2232 30.2709 173.1422 5 A 5.1567 6.6658 125.2335 50.4191 22.6607 176.6927 6 F 4.1272 9.0775 118.1109 61.9463 39.9545 176.6494 7 Y 4.2356 8.3236 120.3036 60.6251 39.0941 176.0327 8 I 3.6260 7.5114 123.5714 61.0315 39.1504 176.3905 9 F 3.9293 8.3137 118.3125 58.3344 36.9145 175.3816 10 T 3.3074 8.3309 116.1857 65.4024 65.7783 172.5595 11 H 4.0212 8.1575 115.2756 56.4043 27.5810 174.9323 12 Q 4.9570 7.9968 119.6546 54.4225 30.8235 176.7306 13 G 3.8958 8.5093 105.9447 46.3262 0.0000 173.2361 14 S 3.9388 8.6866 111.2264 58.4260 60.5875 171.1171 15 D 4.6902 8.4689 117.9105 52.6281 46.7524 175.6443 16 F 4.5476 8.1930 129.0613 53.8068 38.5619 176.1095 17 G 4.6551 7.4540 123.1155 46.0624 0.0000 169.9467 18 P 4.5169 0.0000 0.0000 60.9873 30.6072 175.4014 19 I 3.3666 7.7789 124.9532 61.5730 37.1586 172.4236 20 F 4.6064 7.0815 118.5606 57.5596 42.3430 173.5423 21 M 4.4201 6.2653 121.4127 55.1176 29.2251 174.6374 22 T 4.4400 7.4176 116.8555 64.4824 70.3211 175.2084 23 I 3.6239 7.3366 121.4415 63.9661 37.1888 175.9621 24 P 4.4273 0.0000 0.0000 65.3484 31.6041 177.6059 25 A 4.0728 8.1933 121.4814 54.5853 18.7034 176.8449 26 F 3.8936 8.3275 121.4529 58.6581 40.9479 174.3016 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 Y 8.38 4.74 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 3.20 1.19 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 0.00 0.00 3 G 9.55 3.45 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 0.00 4 V 7.35 3.57 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 0.99 0.00 0.00 0.73 0.00 0.00 5 A 6.67 5.16 1.12 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 0.00 0.00 6 F 9.08 4.13 0.00 3.16 3.23 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 0.00 7 Y 8.32 4.24 0.00 2.94 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 8 I 7.51 3.63 1.56 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 1.26 1.19 -0.33 0.00 0.00 9 F 8.31 3.93 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 3.31 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 11 H 8.16 4.02 0.00 3.20 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.00 4.96 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 7.78 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 13 G 8.51 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 0.00 0.00 0.00 14 S 8.69 3.94 0.00 3.67 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.47 4.69 0.00 2.71 2.56 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 0.00 16 F 8.19 4.55 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.19 2.01 0.00 3.56 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 19 I 7.78 3.37 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.96 0.00 0.00 20 F 7.08 4.61 0.00 3.07 2.85 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 21 M 6.27 4.42 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.00 0.00 22 T 7.42 4.44 4.40 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 1.34 0.00 0.00 23 I 7.34 3.62 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.93 0.00 0.00 24 P 0.00 4.43 0.00 2.44 2.46 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 25 A 8.19 4.07 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 26 F 8.33 3.89 0.00 3.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00