NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5563 8.3049 120.3635 55.9897 33.2350 175.5179 2 D 4.6127 7.7586 115.5558 51.7937 42.4336 170.1811 3 V 4.2990 7.2445 118.9734 61.8262 37.0608 176.6365 4 F 4.2976 6.7155 119.1850 60.8495 39.3123 175.4732 5 M 4.4028 8.0710 120.1922 55.0800 32.5264 177.2378 6 K 4.1922 8.6464 120.2574 56.9801 32.4193 178.0778 7 G 4.0679 7.5303 106.0976 45.3134 0.0000 171.9380 8 L 4.7144 7.9524 124.0420 56.6372 46.8776 175.5965 9 S 4.4623 8.3796 115.0556 57.0323 67.1554 175.2826 10 K 3.8516 8.3203 115.6354 55.9831 28.3932 173.9090 11 A 4.5194 7.7545 120.2997 51.7470 20.5620 177.6080 12 K 4.1281 7.7973 119.8790 56.4987 32.1809 176.8568 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 M 8.30 4.56 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 2 D 7.76 4.61 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 4.30 1.85 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 0.06 0.00 0.00 0.79 0.00 0.00 4 F 6.72 4.30 0.00 3.02 3.17 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 0.00 0.00 0.00 0.00 5 M 8.07 4.40 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 6 K 8.65 4.19 0.00 1.76 1.85 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.39 7.81 7 G 7.53 4.07 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 0.00 0.00 0.00 8 L 7.95 4.71 0.00 1.76 1.78 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.38 4.46 0.00 3.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 3.85 0.00 1.88 1.76 0.00 1.81 0.00 0.00 0.65 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.30 7.81 11 A 7.75 4.52 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.80 4.13 0.00 1.66 1.67 0.00 1.68 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.41 7.81