NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2071 8.2649 123.5828 53.2612 20.0048 176.3698 3 E 3.6613 8.7977 118.8335 57.2677 27.0966 175.2629 4 A 3.9703 8.2734 123.2142 55.2734 19.4911 179.7072 5 L 3.8677 7.9296 118.3805 58.3964 42.1517 178.7324 6 F 3.8556 8.2011 119.9340 61.2960 39.1164 177.1001 7 K 4.0944 8.2147 117.1019 59.1172 31.8546 178.6089 8 E 4.0943 7.6347 118.7207 59.0055 29.6465 178.3963 9 I 3.7444 7.2451 119.1899 63.0940 38.7430 177.1433 10 D 4.5268 7.4174 120.5663 53.0892 37.5454 176.5414 11 V 3.5655 7.9058 122.9081 65.1571 32.1585 176.4127 12 N 4.5844 8.3829 114.2261 51.9911 37.7134 174.7857 13 G 3.9976 7.8031 106.9759 46.9325 0.0000 174.0003 14 D 4.5627 8.9158 117.4997 52.6580 39.8397 176.9833 15 G 4.0356 9.6326 107.9104 45.8804 0.0000 173.3362 16 A 4.7135 8.1220 121.2249 50.2695 22.0681 176.7126 17 V 3.9840 8.4722 123.3591 61.7482 32.1538 176.4923 18 S 4.6240 9.4029 123.5541 57.3894 65.6516 174.4484 19 Y 3.9759 8.4484 122.2839 60.7498 38.3902 177.5137 20 E 3.8507 8.2970 119.7433 59.5193 29.7166 178.6238 21 E 3.9519 8.0460 118.2047 58.9790 29.4941 179.4425 22 V 3.4764 7.5665 118.4780 65.8129 31.4530 177.7655 23 K 3.6115 7.7692 119.3732 59.6329 31.9330 178.5191 24 A 3.9644 8.2553 121.2132 55.0659 18.2808 179.3837 25 F 4.1140 8.4542 119.3997 61.3986 39.3417 177.5901 26 V 3.4910 7.8460 117.9515 65.7835 31.2925 178.3085 27 S 4.0429 7.7743 115.2391 61.2841 62.6891 176.4445 28 K 3.8782 8.0524 122.3967 59.2493 31.8445 179.1434 29 K 3.7529 7.6846 118.8376 59.2436 31.9398 179.4120 30 R 3.8386 8.0544 118.3364 59.3850 29.9344 179.0303 31 A 3.9592 7.9804 120.3308 55.0086 18.2436 179.8163 32 I 3.5740 7.5247 117.9483 64.3166 37.2185 178.3529 33 K 3.8099 7.9196 120.4819 59.5954 31.9945 178.0871 34 N 4.2666 8.2594 117.1588 56.9312 38.9761 176.5754 35 E 3.9645 8.4145 120.0527 59.5112 28.9499 179.4359 36 Q 4.0304 8.2157 118.2110 58.4473 28.8419 178.1743 37 L 3.9399 7.9862 121.3605 58.2264 42.2136 178.6784 38 L 3.9463 7.9722 120.2119 58.3438 42.0832 178.5739 39 Q 4.1552 8.0917 118.2791 58.0617 29.1025 177.3124 40 L 4.2076 7.4703 120.3797 57.4471 42.3946 178.5427 41 I 3.7095 7.9306 119.9088 64.3593 37.1291 178.1087 42 F 3.9693 8.6099 121.8768 61.2035 38.9924 176.8509 43 K 4.0653 7.9535 117.6348 59.7796 31.9823 178.3331 44 S 4.2394 7.6605 112.0473 61.3959 62.4089 175.9113 45 I 3.8634 7.5526 121.7180 63.5186 38.2972 177.3987 46 D 4.4530 8.0477 120.3654 53.8120 36.7502 176.7847 47 A 3.6273 7.7457 123.4981 54.2036 19.2140 178.1868 48 D 4.7315 7.5606 114.1216 51.9939 39.9892 176.4708 49 G 4.0358 8.4590 108.8195 47.0514 0.0000 173.6832 50 N 4.6764 8.4701 112.7617 52.2659 37.8920 176.0617 51 G 4.1713 9.5882 108.5296 45.3345 0.0000 173.4665 52 E 4.9022 7.9569 115.7441 54.5339 32.7083 174.9368 53 I 4.3501 8.2924 121.2561 59.9926 38.2733 176.2475 54 D 4.7795 8.6430 126.6996 52.3011 42.4339 177.2244 55 Q 4.2034 8.4577 117.2639 58.9906 28.5043 178.6463 56 N 4.3871 8.2658 117.3788 56.2538 38.7133 177.1012 57 E 3.9619 8.6224 120.0042 59.4409 29.5954 179.1465 58 F 4.2602 8.7198 120.8655 61.2171 39.3230 177.0454 59 A 3.9093 8.3462 120.5813 55.0073 18.0075 179.4211 60 K 3.7589 7.9602 115.9718 59.7385 32.2661 178.9215 61 F 4.1565 7.8285 118.8915 61.5594 39.7414 176.2431 62 Y 4.0847 8.1893 119.6490 60.3130 38.3157 177.5658 63 G 3.6038 7.8546 102.4374 45.3949 0.0000 173.4072 64 S 4.6776 7.4499 116.6418 57.1084 64.1168 174.2052 65 I 3.9106 7.3067 118.6249 61.3142 36.9535 174.2328 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 2 A 8.26 4.21 1.26 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 3 E 8.80 3.66 0.00 2.28 2.12 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 2.23 2.23 0.00 4 A 8.27 3.97 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 5 L 7.93 3.87 0.00 1.79 1.69 0.93 0.88 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 6 F 8.20 3.86 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.09 0.00 1.97 1.89 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.81 7.81 8 E 7.63 4.09 0.00 2.08 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 2.42 2.40 0.00 9 I 7.25 3.74 1.31 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.59 0.00 0.00 10 D 7.42 4.53 0.00 2.26 2.39 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 0.00 11 V 7.91 3.57 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 0.82 0.00 0.00 0.98 0.00 0.00 12 N 8.38 4.58 0.00 2.84 2.89 0.00 0.00 6.00 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 13 G 7.80 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 0.00 0.00 0.00 14 D 8.92 4.56 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.63 4.04 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 0.00 0.00 0.00 16 A 8.12 4.71 1.26 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 17 V 8.47 3.98 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 0.70 0.00 0.00 0.15 0.00 0.00 18 S 9.40 4.62 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 3.98 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.30 3.85 0.00 2.13 1.96 0.00 0.00 0.00 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 2.40 0.00 21 E 8.05 3.95 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 22 V 7.57 3.48 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 23 K 7.77 3.61 0.00 1.32 1.77 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.39 7.81 24 A 8.26 3.96 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 25 F 8.45 4.11 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.49 2.17 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 1.02 0.00 0.00 0.99 0.00 0.00 27 S 7.77 4.04 0.00 3.83 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 28 K 8.05 3.88 0.00 1.75 1.86 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.20 1.38 7.81 29 K 7.68 3.75 0.00 1.66 1.62 0.00 1.19 0.00 0.00 1.03 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.08 0.53 7.81 30 R 8.05 3.84 0.00 1.78 1.94 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 31 A 7.98 3.96 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 32 I 7.52 3.57 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.96 0.00 0.00 33 K 7.92 3.81 0.00 1.84 1.94 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 34 N 8.26 4.27 0.00 2.77 2.93 0.00 0.00 7.27 7.17 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 35 E 8.41 3.96 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 36 Q 8.22 4.03 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 37 L 7.99 3.94 0.00 1.77 1.66 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.97 3.95 0.00 2.01 1.64 0.91 0.51 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 39 Q 8.09 4.16 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.50 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 40 L 7.47 4.21 0.00 2.02 1.84 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.93 3.71 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.89 0.00 0.00 42 F 8.61 3.97 0.00 3.11 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 43 K 7.95 4.07 0.00 2.21 2.05 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 44 S 7.66 4.24 0.00 4.02 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 45 I 7.55 3.86 1.52 0.00 0.00 0.09 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 0.59 0.79 0.00 0.00 46 D 8.05 4.45 0.00 2.11 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.63 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 48 D 7.56 4.73 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 4.04 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 0.00 0.00 0.00 50 N 8.47 4.68 0.00 2.89 2.99 0.00 0.00 7.09 6.91 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 51 G 9.59 4.17 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 0.00 0.00 0.00 52 E 7.96 4.90 0.00 2.02 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 2.22 2.55 0.00 53 I 8.29 4.35 1.79 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.06 0.94 0.00 0.00 54 D 8.64 4.78 0.00 2.98 3.12 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 55 Q 8.46 4.20 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 56 N 8.27 4.39 0.00 2.90 2.88 0.00 0.00 7.18 7.66 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 57 E 8.62 3.96 0.00 2.18 2.15 0.00 0.00 0.00 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 2.32 0.00 58 F 8.72 4.26 0.00 3.10 3.28 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 59 A 8.35 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.96 3.76 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 61 F 7.83 4.16 0.00 3.02 3.14 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 0.00 0.00 0.00 62 Y 8.19 4.08 0.00 2.09 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.45 4.68 0.00 3.72 3.67 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 0.00 0.00 0.00 0.00 65 I 7.31 3.91 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.07 0.45 0.00 0.00