NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7051 8.3093 119.4671 56.7718 41.7193 174.5789 2 E 3.5992 9.0487 120.1887 56.7951 28.3934 176.2560 3 N 4.4804 5.7700 112.7754 53.7946 38.6666 174.6208 4 R 4.7420 7.5830 111.0236 55.7896 30.9864 179.4943 5 V 3.6639 7.5875 120.9746 65.9289 31.3512 176.9857 6 A 4.2385 7.9781 121.2456 54.9206 18.3123 179.1130 7 E 3.9236 7.9794 117.3539 59.6458 29.5267 179.8296 8 K 4.0895 8.0565 117.8553 59.4698 32.2420 179.0579 9 Q 4.1235 8.5571 118.7958 59.1238 28.6292 179.4209 10 K 3.9349 8.0766 119.1250 59.2907 31.8954 178.9351 11 L 3.7498 7.4589 119.1085 58.3812 42.0738 178.8159 12 F 4.3428 8.2441 114.8545 58.9440 39.1282 176.6617 13 Q 4.4938 7.6001 116.3687 54.4422 29.4049 175.3488 14 E 3.9076 7.3478 122.1231 56.4290 30.5916 177.2183 15 D 4.6556 8.4864 127.9714 53.6425 39.8303 175.3021 16 N 4.6636 7.9063 113.4469 52.1732 38.0918 176.1210 17 G 3.9449 8.0559 104.1869 46.6771 0.0000 173.9284 18 L 4.4442 7.5389 118.9356 52.6364 43.0257 174.8751 19 P 4.5863 0.0000 0.0000 61.7666 32.2872 177.4267 20 V 3.6532 8.5778 120.0975 65.3873 30.9779 177.3946 21 H 4.4276 8.1741 112.8144 56.4110 28.9413 175.4259 22 L 4.6168 8.0640 120.0363 55.2841 44.0113 178.7327 23 K 3.9547 7.5951 117.5062 59.5365 32.1005 178.0519 24 G 3.7331 8.2489 106.6743 46.1978 0.0000 174.1299 25 G 3.7879 7.0990 106.0503 44.9594 0.0000 172.5787 26 A 4.0018 8.1728 120.7229 55.1851 18.4482 180.1144 27 T 3.9126 7.9257 107.8961 64.8825 68.7116 176.2069 28 D 4.4175 7.6783 121.7113 57.3676 40.7732 178.3395 29 N 4.4681 8.1527 117.1650 56.5575 39.0246 176.7765 30 I 3.7165 7.6415 114.2054 64.1049 37.5636 178.0037 31 L 3.9810 8.3258 121.5785 57.5973 41.5095 178.9468 32 Y 4.2378 8.3062 119.2878 61.0190 38.8181 178.4625 33 R 3.6147 8.3352 119.0908 58.6684 29.9902 179.3301 34 V 3.4690 8.0148 118.5850 66.2303 31.5572 177.8984 35 T 3.8442 7.9785 115.5935 67.2546 68.3987 176.3405 36 M 3.9424 7.8100 120.0916 58.5849 31.8060 179.1474 37 T 3.8117 7.7287 115.7090 66.6874 68.6607 176.8041 38 L 4.0113 8.0592 121.0254 57.9548 41.5248 179.5007 39 C 4.1545 8.3098 116.7796 62.8269 28.1054 176.2016 40 L 4.0988 8.1047 120.7039 57.5907 41.2025 179.8177 41 G 3.6598 8.5527 106.1963 47.7802 0.0000 175.6930 42 G 3.8778 8.4289 109.4393 48.0425 0.0000 175.7482 43 T 4.0552 8.3260 118.6175 66.0812 68.3695 176.8930 44 L 4.0523 7.9760 121.0872 57.8292 41.7119 178.5722 45 Y 4.5388 8.6949 120.0776 60.9677 38.7561 178.3231 46 S 3.8909 8.5418 115.4194 61.5847 62.9522 176.3669 47 L 4.0087 7.9138 122.4473 57.5866 41.3050 178.9311 48 Y 4.1975 8.2408 119.3880 60.9975 38.7770 177.8697 49 C 3.9792 8.2449 117.7191 62.6685 28.0796 175.8645 50 L 4.0470 8.1375 122.1053 57.9073 41.4069 179.3563 51 G 3.6505 7.6723 104.3627 47.5831 0.0000 175.0532 52 W 4.1168 7.8675 129.9082 60.0736 30.4522 177.5897 53 A 3.9217 8.7071 120.8348 54.1962 17.6392 178.6224 54 S 4.2929 7.9167 112.3384 57.6292 63.2662 173.4400 55 F 4.6568 6.8958 119.3934 54.9887 42.2860 173.1946 56 P 4.3097 0.0000 0.0000 63.0931 31.0507 176.1209 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 F 8.31 4.71 0.00 2.92 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 2 E 9.05 3.60 0.00 2.17 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 3 N 5.77 4.48 0.00 2.89 3.18 0.00 0.00 7.16 7.67 0.00 0.00 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 R 7.58 4.74 0.00 2.13 2.11 0.00 3.04 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 5 V 7.59 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 1.01 0.00 0.00 0.96 0.00 0.00 6 A 7.98 4.24 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.92 0.00 2.14 2.02 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 2.34 2.37 0.00 8 K 8.06 4.09 0.00 2.03 2.15 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.84 1.57 7.81 9 Q 8.56 4.12 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 10 K 8.08 3.93 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 11 L 7.46 3.75 0.00 1.61 1.57 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.24 4.34 0.00 3.10 3.13 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 0.00 0.00 0.00 0.00 13 Q 7.60 4.49 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 14 E 7.35 3.91 0.00 1.97 1.92 0.00 0.00 0.00 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 2.22 0.00 15 D 8.49 4.66 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 16 N 7.91 4.66 0.00 2.82 2.99 0.00 0.00 6.31 7.00 0.00 0.00 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 8.06 3.94 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 0.00 0.00 0.00 18 L 7.54 4.44 0.00 1.72 1.56 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.59 0.00 2.16 2.12 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 20 V 8.58 3.65 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 0.83 0.00 0.00 0.90 0.00 0.00 21 H 8.17 4.43 0.00 3.24 3.39 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.06 4.62 0.00 1.61 1.60 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.60 3.95 0.00 1.86 2.25 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.72 7.81 24 G 8.25 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 0.00 0.00 0.00 25 G 7.10 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.00 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 27 T 7.93 3.91 4.28 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 1.23 0.00 0.00 28 D 7.68 4.42 0.00 2.86 2.98 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 29 N 8.15 4.47 0.00 2.88 3.00 0.00 0.00 6.92 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.64 3.72 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.72 0.97 0.00 0.00 31 L 8.33 3.98 0.00 2.05 1.85 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.31 4.24 0.00 3.13 3.31 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 33 R 8.34 3.61 0.00 1.96 1.88 0.00 3.25 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 34 V 8.01 3.47 2.26 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 1.10 0.00 0.00 0.95 0.00 0.00 35 T 7.98 3.84 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 36 M 7.81 3.94 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.46 0.00 37 T 7.73 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 38 L 8.06 4.01 0.00 1.67 1.72 0.92 1.12 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 39 C 8.31 4.15 0.00 2.95 2.98 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 40 L 8.10 4.10 0.00 1.71 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.55 3.66 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 42 G 8.43 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.06 4.39 0.00 0.00 0.00 0.00 0.00 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 44 L 7.98 4.05 0.00 1.96 1.78 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.69 4.54 0.00 2.96 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 46 S 8.54 3.89 0.00 3.99 4.06 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 47 L 7.91 4.01 0.00 2.17 1.86 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.24 4.20 0.00 3.23 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.24 3.98 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.14 4.05 0.00 1.67 1.83 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.67 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 0.00 0.00 0.00 52 W 7.87 4.12 0.00 2.80 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 3.92 1.40 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 0.00 0.00 0.00 54 S 7.92 4.29 0.00 3.63 3.89 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 0.00 0.00 0.00 0.00 55 F 6.90 4.66 0.00 2.86 2.82 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 56 P 0.00 4.31 0.00 2.14 1.99 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00