NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2670 8.3044 120.3499 54.6368 33.3192 174.3918 2 K 3.7377 8.3952 121.6761 56.1071 31.2101 174.8158 3 R 4.3362 8.0506 126.2108 55.6642 32.0421 176.6364 4 T 4.0209 8.3796 108.4040 64.0426 69.1014 174.5847 5 F 4.4912 8.0347 124.1880 56.7574 38.1406 173.6249 6 Q 4.1233 7.8254 126.0415 52.8272 29.0686 174.3333 7 P 3.8542 0.0000 0.0000 62.5456 32.2405 176.6055 8 S 4.3572 7.9637 109.7793 56.8373 65.6728 177.0198 9 V 3.7529 8.1870 129.9805 64.3934 31.4348 177.7004 10 L 3.9143 7.9501 119.7415 58.2725 42.0559 178.5698 11 K 4.0068 8.1794 117.3651 59.8472 32.1395 179.1957 12 R 3.9496 8.3596 119.0250 59.8773 30.2496 178.0444 13 N 4.5098 8.4615 116.0667 56.0923 38.3529 177.7451 14 R 4.0278 8.1571 119.3513 58.6551 30.2323 178.4136 15 S 4.4855 7.9180 113.3024 60.0140 63.5745 174.6544 16 H 4.8886 7.8753 114.9172 55.1642 29.8970 173.7742 17 G 3.9804 7.9956 110.3321 44.5087 0.0000 175.1342 18 F 4.0107 8.9665 120.3350 61.5936 39.0719 177.3081 19 R 4.0475 8.2162 116.8380 59.0896 29.7888 178.6772 20 A 3.9898 7.9503 119.3817 54.9480 18.6773 179.1332 21 R 3.9377 7.6093 117.4502 59.3917 29.9988 177.7049 22 M 4.0749 7.6035 115.4233 56.6020 32.3682 176.6660 23 A 4.4948 7.1585 119.3376 51.9137 19.8913 176.5837 24 T 4.4758 7.3454 112.2833 60.2653 70.9779 174.6993 25 K 4.3526 8.4630 130.1895 59.5515 32.9198 177.9211 26 N 4.5033 8.2291 116.6631 55.7439 38.7362 177.2178 27 G 4.3231 8.0226 108.1505 47.6020 0.0000 175.3849 28 R 3.8624 8.0011 120.8915 58.9454 30.0857 179.0898 29 Q 4.0285 7.8653 117.1402 59.0331 28.7074 179.2036 30 V 3.5695 8.0366 119.5387 65.9011 31.4421 178.0231 31 L 3.8805 7.9174 118.1878 58.5489 41.4547 178.9955 32 A 3.7719 8.3929 119.3794 55.4727 18.3667 179.3953 33 R 3.8647 8.5403 114.7701 59.4367 30.4758 179.6294 34 R 3.9096 7.8950 117.1540 59.5062 29.9191 179.3215 35 R 3.9603 8.1651 116.4926 59.2659 30.0858 178.5971 36 A 4.1774 8.0256 119.6808 54.2670 18.5890 179.0284 37 K 4.1341 7.9617 117.4055 57.3502 32.2924 177.5176 38 G 3.8471 7.8506 106.5973 45.6835 0.0000 173.5517 39 R 3.9305 7.8949 118.3221 56.2526 30.4893 176.3655 40 A 4.2652 8.4844 126.1067 53.6902 18.8668 177.7754 41 R 4.5365 7.4785 114.4318 53.4199 31.0087 175.5880 42 L 4.0679 8.4675 122.5372 57.6645 41.9277 178.7876 43 T 4.4922 7.6329 101.7874 60.4707 72.0383 173.3716 44 V 3.6634 9.1810 121.8461 63.6595 32.0132 168.9919 45 S 4.3470 7.9231 127.3960 57.7211 64.8045 174.0381 46 K 4.1291 8.7464 126.8905 57.7289 31.9789 176.8243 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 4.27 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.40 3.74 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.05 4.34 0.00 1.87 1.94 0.00 3.44 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 4 T 8.38 4.02 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 5 F 8.03 4.49 0.00 3.00 3.10 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 6 Q 7.83 4.12 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 7 P 0.00 3.85 0.00 2.10 1.92 0.00 3.51 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 8 S 7.96 4.36 0.00 3.79 3.65 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 9 V 8.19 3.75 2.11 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 0.80 0.00 0.00 0.96 0.00 0.00 10 L 7.95 3.91 0.00 1.64 1.75 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.18 4.01 0.00 1.98 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 12 R 8.36 3.95 0.00 1.96 2.17 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 13 N 8.46 4.51 0.00 3.05 2.88 0.00 0.00 7.10 7.27 0.00 0.00 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 R 8.16 4.03 0.00 2.03 1.98 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 15 S 7.92 4.49 0.00 3.69 3.56 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 H 7.88 4.89 0.00 3.08 3.27 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.97 4.01 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 4.05 0.00 1.98 2.04 0.00 3.26 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 20 A 7.95 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 3.94 0.00 1.91 1.78 0.00 3.05 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 22 M 7.60 4.07 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 23 A 7.16 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.48 4.22 0.00 0.00 0.00 0.00 0.00 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 25 K 8.46 4.35 0.00 1.90 1.74 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.64 7.81 26 N 8.23 4.50 0.00 2.79 2.82 0.00 0.00 6.87 7.59 0.00 0.00 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 G 8.02 4.32 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 0.00 0.00 0.00 28 R 8.00 3.86 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 29 Q 7.87 4.03 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 30 V 8.04 3.57 2.23 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 1.01 0.00 0.00 0.95 0.00 0.00 31 L 7.92 3.88 0.00 1.89 1.65 0.50 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 3.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 3.86 0.00 1.85 2.02 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 34 R 7.89 3.91 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 35 R 8.17 3.96 0.00 1.91 2.02 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 36 A 8.03 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.96 4.13 0.00 1.88 1.96 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 7.85 3.85 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 0.00 0.00 0.00 39 R 7.89 3.93 0.00 1.96 1.86 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 A 8.48 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.48 4.54 0.00 1.84 1.85 0.00 3.18 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 42 L 8.47 4.07 0.00 1.74 1.86 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.63 4.49 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 44 V 9.18 3.66 2.11 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 0.80 0.00 0.00 0.94 0.00 0.00 45 S 7.92 4.35 0.00 3.83 3.56 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 46 K 8.75 4.13 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81