NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.1968 8.0333 117.2724 63.6376 69.6165 174.6059 1G F 4.0877 7.6812 117.0811 57.5538 40.1226 175.3901 1F G 3.6329 8.3126 116.4724 42.3014 0.0000 175.6873 1E A 4.0394 8.7246 126.1378 52.4224 19.0502 179.1944 1D G 4.1233 7.9667 105.6509 44.3471 0.0000 173.9431 1C E 4.0278 8.0763 117.2340 56.5218 30.3535 178.0046 1B A 4.2185 8.4793 123.2383 54.0403 19.0305 177.7302 1A D 4.9602 7.7336 115.2471 53.8388 40.4294 175.9104 1 C 4.2674 8.1419 113.1179 58.8531 30.4839 173.5281 2 G 4.0700 8.6115 111.9460 46.6070 0.0000 173.4668 3 L 4.4612 7.0928 119.0708 52.2832 42.2026 177.1113 4 R 4.0870 8.4550 124.0126 55.5034 29.9387 176.0011 5 P 4.2393 0.0000 0.0000 65.2782 31.4842 177.6176 6 L 4.1820 7.7713 116.7233 56.4623 43.2203 177.9606 7 F 4.7541 7.8960 117.0789 58.3507 37.6211 176.7407 8 E 3.9464 9.0434 122.1619 59.4304 30.6029 181.4577 9 K 4.5917 7.9130 120.5972 58.3664 32.5413 177.6542 10 K 4.1690 7.3406 114.9254 56.8073 32.2908 177.7252 11 Q 4.1093 10.7000 117.8309 55.2100 27.8176 173.6629 12 V 3.9700 7.7528 118.8141 62.2594 32.2702 175.6576 13 Q 4.8370 8.5227 125.6187 55.1842 30.3968 174.2285 14 D 4.6188 9.5157 119.5757 52.4892 43.2293 177.5031 14A Q 3.8141 8.0220 125.0526 58.9306 28.9831 178.5082 14B T 4.4105 7.2827 110.0060 61.3944 68.7946 175.0574 14C E 3.8453 8.1517 121.7655 60.0452 29.2703 178.8049 14D K 4.1537 8.1617 118.0919 60.1013 32.4011 177.9472 14E E 3.8721 8.3715 120.3733 59.4794 29.5393 178.7213 14F L 3.5984 7.4783 116.9607 57.8675 40.7705 179.1351 14G F 4.7115 7.7659 114.9964 58.4097 38.8252 176.6572 14H E 4.2880 8.1195 118.8096 57.2019 28.7032 178.2491 14I S 4.1650 7.3601 114.7718 61.7149 63.2151 176.1507 14J Y 4.4717 7.4060 118.5213 59.2783 37.6518 176.6633 14K I 4.5584 7.0265 119.5496 60.9644 37.5169 175.8392 14L E 4.4748 8.0420 118.1117 54.5348 31.3061 176.7326 14M G 3.8579 7.3962 107.9138 45.2952 0.0000 173.7384 15 R 4.1509 8.3173 115.4130 57.1202 31.0001 174.5688 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 1H T 8.03 4.20 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 1.13 0.00 0.00 1G F 7.68 4.09 0.00 3.17 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 1F G 8.31 3.63 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 0.00 0.00 0.00 1E A 8.72 4.04 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 1D G 7.97 4.12 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 0.00 1C E 8.08 4.03 0.00 1.98 1.94 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 2.34 2.30 0.00 1B A 8.48 4.22 1.28 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 0.00 0.00 1A D 7.73 4.96 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 4.27 0.00 3.16 3.24 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 2 G 8.61 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 3 L 7.09 4.46 0.00 1.67 1.67 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.46 4.09 0.00 2.22 2.10 0.00 3.24 0.00 0.00 3.78 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 5 P 0.00 4.24 0.00 2.00 2.13 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 6 L 7.77 4.18 0.00 1.10 0.93 0.73 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.90 4.75 0.00 3.20 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 E 9.04 3.95 0.00 2.16 2.14 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 2.71 2.38 0.00 9 K 7.91 4.59 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.78 7.81 10 K 7.34 4.17 0.00 1.82 1.82 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.53 7.81 11 Q 10.70 4.11 0.00 2.16 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 12 V 7.75 3.97 2.30 0.00 0.00 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 0.95 0.00 0.00 13 Q 8.52 4.84 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 14 D 9.52 4.62 0.00 1.58 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A Q 8.02 3.81 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 14B T 7.28 4.41 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.15 3.85 0.00 2.35 2.10 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 2.53 2.40 0.00 14D K 8.16 4.15 0.00 2.04 2.12 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.46 7.81 14E E 8.37 3.87 0.00 2.20 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 0.00 2.25 2.34 0.00 14F L 7.48 3.60 0.00 1.60 1.19 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.77 4.71 0.00 3.07 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 14H E 8.12 4.29 0.00 2.13 1.97 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 2.44 2.44 0.00 14I S 7.36 4.17 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.41 4.47 0.00 3.07 3.02 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 14K I 7.03 4.56 2.20 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.96 0.00 0.00 14L E 8.04 4.47 0.00 1.90 1.93 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 2.35 2.20 0.00 14M G 7.40 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.32 4.15 0.00 1.91 1.90 0.00 3.41 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00