NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4305 8.1633 120.3492 55.0173 34.3367 176.9179 2 K 4.8492 7.9725 119.2367 57.4908 31.8637 176.8484 3 L 3.8964 8.4879 123.0033 58.3687 42.2590 178.5994 4 S 4.1551 8.1163 114.4985 62.1423 62.7260 175.8263 5 E 4.0463 8.1979 121.4556 59.0837 29.2330 179.0305 6 V 4.4174 8.1720 119.5699 65.5727 31.7711 178.2424 7 R 3.8439 8.1305 118.5798 59.7434 29.8608 178.5605 8 K 4.0859 7.6959 117.5398 59.6430 32.0544 179.3007 9 Q 4.4721 7.8250 118.8936 57.8486 28.2623 178.6744 10 L 4.0895 7.9735 120.0381 57.5270 42.0813 178.7936 11 E 4.1020 8.0627 116.5639 58.9554 29.6100 178.4219 12 E 4.1461 8.4795 119.6322 58.4230 29.7016 178.0468 13 A 4.5774 8.0914 122.4329 52.6581 17.8250 178.2903 14 R 4.6931 8.1376 116.6981 57.4423 29.9609 178.0443 15 K 3.8845 7.5229 117.6245 57.6764 32.6015 176.1555 16 L 4.5337 7.6001 116.0917 53.7378 43.2039 176.2562 17 S 5.3160 7.7975 119.3201 59.2431 62.9253 174.1959 18 P 4.3895 0.0000 0.0000 65.3584 31.2996 179.1001 19 V 3.5392 7.6456 116.7026 66.2332 31.6245 177.9626 20 E 3.9668 7.7774 117.6922 58.9230 29.1700 178.7936 21 L 4.0320 8.4876 121.1633 58.3604 42.1336 178.8024 22 E 3.9568 8.1762 117.8488 59.3514 29.5040 179.3401 23 K 3.8366 8.2911 118.7155 59.7318 32.1868 179.0826 24 L 3.9665 8.6071 120.8652 58.0119 41.9218 179.2680 25 V 3.5529 8.2585 118.6454 66.1443 31.5668 178.0183 26 R 3.8204 8.3969 118.2012 59.4484 29.7850 178.8309 27 E 3.9292 8.2189 118.0143 59.5652 29.5104 179.6156 28 K 3.9413 8.2169 118.3500 59.2246 32.0229 179.6101 29 K 3.9264 8.8096 119.5576 59.3819 31.9530 179.1242 30 R 3.8289 7.9926 118.7727 59.6519 30.0442 178.2634 31 E 3.8974 8.3653 118.4538 59.3022 29.3969 179.2019 32 L 3.9450 8.1982 120.6772 58.2750 42.1357 178.7331 33 M 4.0406 8.1421 118.0800 58.8256 32.3057 177.5862 34 E 3.8817 8.7710 119.7931 59.7557 29.5096 178.0681 35 L 4.0711 8.0804 120.9678 57.7747 42.1918 178.9581 36 R 4.0124 8.4685 116.3994 58.9870 29.1802 178.6634 37 F 3.8286 8.5097 121.4598 61.4243 39.3793 176.7280 38 Q 4.2446 8.1290 116.1018 57.9363 28.5759 178.1857 39 A 4.0731 8.5717 124.5161 54.3915 18.1744 179.7702 40 S 4.1179 8.0813 112.5189 61.3158 63.2469 176.3100 41 I 3.8894 7.1462 114.9140 62.1021 37.7044 176.4670 42 G 4.2641 8.0225 116.1901 46.1773 0.0000 176.4324 43 Q 4.6102 7.5133 118.8926 54.8310 28.5499 177.4583 44 L 4.5137 8.1163 114.9309 53.8954 43.5534 175.5380 45 S 4.5903 7.9872 112.6722 56.9945 65.1551 172.7948 46 Q 4.3445 8.0169 123.0890 54.6914 29.7195 176.5071 47 N 4.4769 7.0602 125.0369 55.2522 40.8335 176.4745 48 H 4.3259 7.5753 114.4182 57.9249 29.2813 177.6399 49 K 3.7672 7.9767 120.1422 59.7992 31.6733 178.5172 50 I 3.7331 7.7968 120.3178 64.3060 37.0566 178.5730 51 R 3.8290 7.9123 116.3708 59.5553 29.2057 178.5311 52 D 4.3397 7.9533 119.4268 57.1060 40.8187 178.4300 53 L 4.0023 8.1225 121.1142 58.2123 42.1031 178.5644 54 K 3.9486 8.8586 119.0920 59.7111 31.8800 179.3769 55 R 4.0092 8.3442 118.3884 58.9366 30.1654 179.0786 56 Q 3.9139 7.9720 119.8485 59.3744 29.0433 178.0375 57 I 3.6857 7.9151 120.5443 65.1036 37.0813 177.3699 58 A 3.9867 7.9925 121.0798 55.4879 17.8429 179.5220 59 R 4.0507 7.8880 116.1132 58.4566 29.6000 178.8316 60 L 4.1097 7.5747 118.3083 57.6993 41.7497 179.0119 61 L 4.0919 7.9594 119.1422 58.1352 42.1567 177.3321 62 T 4.1629 8.0854 120.3298 63.9234 68.2733 173.7053 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 8.16 4.43 0.00 2.03 2.12 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 2.56 2.52 0.00 2 K 7.97 4.85 0.00 1.97 1.86 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.62 7.81 3 L 8.49 3.90 0.00 1.66 1.65 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.12 4.16 0.00 3.90 3.91 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 0.00 0.00 0.00 5 E 8.20 4.05 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 2.40 2.54 0.00 6 V 8.17 4.42 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 0.90 0.00 0.00 0.97 0.00 0.00 7 R 8.13 3.84 0.00 2.05 1.92 0.00 3.21 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 8 K 7.70 4.09 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 9 Q 7.83 4.47 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 10 L 7.97 4.09 0.00 1.65 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.06 4.10 0.00 1.91 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 2.31 2.42 0.00 12 E 8.48 4.15 0.00 2.14 2.05 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 2.30 2.32 0.00 13 A 8.09 4.58 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 14 R 8.14 4.69 0.00 1.87 1.91 0.00 3.30 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 15 K 7.52 3.88 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.41 7.81 16 L 7.60 4.53 0.00 1.66 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.80 5.32 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 4.39 0.00 2.19 2.08 0.00 3.65 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 2.11 2.14 0.00 19 V 7.65 3.54 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 1.16 0.00 0.00 0.93 0.00 0.00 20 E 7.78 3.97 0.00 2.31 1.98 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 2.33 2.64 0.00 21 L 8.49 4.03 0.00 1.81 1.82 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.18 3.96 0.00 2.22 1.98 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 2.33 2.40 0.00 23 K 8.29 3.84 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 L 8.61 3.97 0.00 1.90 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.26 3.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 26 R 8.40 3.82 0.00 2.05 1.97 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 E 8.22 3.93 0.00 2.21 1.98 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 2.32 2.64 0.00 28 K 8.22 3.94 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.63 7.81 29 K 8.81 3.93 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.59 7.81 30 R 7.99 3.83 0.00 1.85 2.13 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 E 8.37 3.90 0.00 2.20 1.98 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 2.32 2.54 0.00 32 L 8.20 3.95 0.00 1.90 1.82 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.14 4.04 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 34 E 8.77 3.88 0.00 2.08 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 0.00 2.29 2.38 0.00 35 L 8.08 4.07 0.00 2.06 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.47 4.01 0.00 2.12 2.21 0.00 2.87 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 37 F 8.51 3.83 0.00 3.33 3.16 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 0.00 38 Q 8.13 4.24 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 39 A 8.57 4.07 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 40 S 8.08 4.12 0.00 3.96 3.93 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 0.00 0.00 0.00 41 I 7.15 3.89 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 0.97 0.00 0.00 42 G 8.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.51 4.61 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.39 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 L 8.12 4.51 0.00 1.70 1.62 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.99 4.59 0.00 3.94 3.91 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 0.00 0.00 0.00 46 Q 8.02 4.34 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 47 N 7.06 4.48 0.00 2.76 2.73 0.00 0.00 6.68 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.58 4.33 0.00 3.35 3.55 0.00 5.52 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 49 K 7.98 3.77 0.00 1.80 1.85 0.00 1.23 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 50 I 7.80 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.92 0.00 0.00 51 R 7.91 3.83 0.00 2.04 2.21 0.00 2.99 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 52 D 7.95 4.34 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.12 4.00 0.00 1.97 1.75 0.95 0.90 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 54 K 8.86 3.95 0.00 2.03 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 55 R 8.34 4.01 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 56 Q 7.97 3.91 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 I 7.92 3.69 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.91 0.00 0.00 58 A 7.99 3.99 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 59 R 7.89 4.05 0.00 1.93 2.10 0.00 3.08 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 60 L 7.57 4.11 0.00 1.85 1.78 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 4.09 0.00 1.87 1.76 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.09 4.16 4.38 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 1.21 0.00 0.00