NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7017 8.3549 109.7342 46.4336 0.0000 170.5888 2 R 3.6038 8.5754 124.3749 55.6958 26.3369 174.0747 3 Q 4.2578 9.2986 123.0692 55.7597 31.1783 176.9332 4 F 4.1986 8.0999 114.9610 59.4074 38.0241 174.9408 5 G 4.0469 9.2774 113.1074 46.0975 0.0000 173.1406 6 H 5.0553 7.7965 114.6340 55.6320 30.1092 174.8041 7 L 4.1848 7.9610 119.7979 56.2826 42.0459 176.9565 8 T 4.4078 7.0301 112.6438 62.4576 72.3286 173.3693 9 R 4.0565 8.4420 124.2933 56.3531 30.6674 176.1924 10 V 4.4713 8.1081 123.7205 61.2744 34.6268 174.2003 11 R 4.4545 8.0883 124.7858 55.9217 33.2343 174.8001 12 H 4.1286 8.9125 117.0069 56.5813 25.6306 174.7792 13 V 4.2235 7.6740 119.2580 61.0767 32.0427 175.2112 14 I 3.9197 8.0883 128.3525 60.9838 37.8721 176.0982 15 T 4.3280 7.7452 119.3741 61.9932 70.6868 173.2401 16 Y 4.4432 8.6145 125.1973 56.9510 38.5005 175.4741 17 S 4.9213 8.5261 120.2427 56.4118 66.3779 173.1898 18 L 4.7657 8.0590 122.6520 52.7425 44.8626 176.1906 19 S 4.2250 8.7501 119.3972 58.2695 62.8173 173.4517 20 P 4.1609 0.0000 0.0000 65.4944 31.2326 178.0505 21 F 4.3824 8.3289 114.5917 58.8137 39.1476 175.8101 22 E 4.4469 8.3279 119.7950 56.5773 29.9857 176.1386 23 Q 4.6436 7.4247 116.7518 53.7095 31.4118 175.1146 24 R 4.1180 8.4365 116.8425 55.5705 30.4049 176.7447 25 A 3.8442 8.4824 124.9603 54.0665 18.7565 177.4386 26 F 4.8360 7.5330 114.0278 54.6717 39.0825 171.0889 27 P 4.2259 0.0000 0.0000 63.5088 32.2421 177.3558 28 H 4.2101 8.7409 121.5283 55.8598 26.5312 176.0904 29 Y 3.9407 7.9657 121.7716 60.6117 39.5660 177.4564 30 F 4.2312 8.0857 117.8190 60.1592 38.9294 177.7731 31 S 4.1866 8.2797 114.3377 61.7929 62.4480 176.6203 32 K 4.3221 8.0760 118.9242 58.1024 32.5989 179.2709 33 G 3.8804 7.6996 107.0765 47.1586 0.0000 175.2263 34 I 3.6261 7.5287 121.7165 63.2435 37.9924 175.9847 35 P 4.1858 0.0000 0.0000 66.0000 31.1119 178.1091 36 N 4.3928 8.2509 115.3154 56.1146 38.4239 178.0193 37 V 3.5990 7.6549 120.1962 64.5612 31.4856 178.1131 38 L 3.9405 7.8412 119.6605 57.8031 41.5688 179.5313 39 R 3.7308 7.9173 118.3437 59.5198 29.7388 178.7572 40 R 4.0141 8.0710 117.2440 59.1497 30.3848 178.7919 41 T 3.9997 8.2032 115.9577 66.7531 68.2284 176.4365 42 R 3.9203 8.7878 121.0335 59.6400 29.7952 178.2374 43 A 3.9454 7.9303 119.2973 54.1787 18.6763 177.6378 44 C 4.7686 7.6118 109.1294 57.5174 31.6177 176.1558 45 I 3.6758 8.3968 122.7750 64.8137 36.6681 177.5317 46 L 4.4055 7.9006 115.3933 55.7314 41.6050 177.9651 47 R 4.4658 7.9304 117.8595 57.0693 32.6224 177.8709 48 V 3.8245 7.6417 117.0423 65.6808 32.0128 177.5767 49 A 4.1757 8.2001 120.6405 55.1073 18.4808 178.0038 50 P 4.3774 0.0000 0.0000 64.5615 31.3170 177.0074 51 P 4.3642 0.0000 0.0000 65.5410 31.3576 178.5223 52 F 4.5434 7.4991 117.0748 60.4531 38.7930 177.9729 53 V 3.8719 8.0669 118.3665 64.7602 31.2692 178.1976 54 A 4.0131 7.7893 120.4354 54.8550 18.1278 179.0959 55 F 4.1778 8.5853 119.2994 61.8338 39.4020 176.4960 56 Y 3.7160 8.4940 119.2549 60.8359 38.4776 178.3876 57 L 3.9083 8.3049 119.8605 57.7881 41.7573 179.6860 58 V 3.6335 7.6817 117.8227 65.8127 31.3664 177.5134 59 Y 3.8136 8.2302 120.0752 60.9693 38.2078 178.0214 60 T 3.4623 7.8426 114.3304 64.3367 67.3638 175.6868 61 W 4.2307 8.3473 130.8158 60.7411 30.6822 178.2207 62 G 3.3925 8.0182 104.7423 48.0050 0.0000 175.5800 63 T 3.7168 7.4295 118.1818 66.2670 68.3455 176.4312 64 Q 3.8319 7.2322 120.0195 58.8715 29.1017 177.4305 65 E 3.5368 7.7180 120.6840 59.0326 28.8940 178.5037 66 F 4.0971 7.9423 120.5822 61.2025 39.2009 176.7122 67 E 3.6338 7.4162 116.2773 58.8909 29.6645 177.9960 68 K 3.8639 7.6708 117.3102 59.8416 32.1828 178.8887 69 S 4.1726 7.4892 111.6661 59.6228 63.6244 174.7710 70 K 4.3035 6.8133 119.1118 52.3269 30.5804 175.6823 71 R 4.6750 6.5846 122.4807 56.0286 33.1644 173.8708 72 K 4.6727 8.1931 119.6434 54.7495 35.7190 173.7180 73 N 4.7140 7.9571 115.2189 53.8815 41.2936 173.5496 74 P 4.4643 0.0000 0.0000 61.5602 33.4998 176.3028 75 A 4.0822 8.4536 121.1163 52.9737 18.6341 177.1377 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 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 3.60 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 3 Q 9.30 4.26 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.34 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 4 F 8.10 4.20 0.00 3.12 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 5 G 9.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.80 5.06 0.00 3.11 3.18 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.96 4.18 0.00 1.65 1.64 0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.03 4.41 4.24 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 1.21 0.00 0.00 9 R 8.44 4.06 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 10 V 8.11 4.47 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 0.87 0.00 0.00 0.94 0.00 0.00 11 R 8.09 4.45 0.00 1.51 1.21 0.00 3.30 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 12 H 8.91 4.13 0.00 3.35 3.44 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.67 4.22 2.07 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 0.83 0.00 0.00 0.94 0.00 0.00 14 I 8.09 3.92 1.76 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 1.32 0.62 0.14 0.00 0.00 15 T 7.75 4.33 4.15 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 1.20 0.00 0.00 16 Y 8.61 4.44 0.00 2.95 2.95 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 0.00 0.00 0.00 17 S 8.53 4.92 0.00 3.82 3.75 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 18 L 8.06 4.77 0.00 1.55 1.50 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.75 4.22 0.00 3.95 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 20 P 0.00 4.16 0.00 1.81 1.90 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 21 F 8.33 4.38 0.00 2.95 3.09 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 0.00 0.00 0.00 22 E 8.33 4.45 0.00 2.07 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 2.37 2.42 0.00 23 Q 7.42 4.64 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.19 0.00 24 R 8.44 4.12 0.00 1.96 1.98 0.00 3.01 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 25 A 8.48 3.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.53 4.84 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.22 2.07 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 28 H 8.74 4.21 0.00 3.45 3.42 0.00 6.09 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.97 3.94 0.00 2.92 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 30 F 8.09 4.23 0.00 3.18 3.09 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 0.00 0.00 0.00 31 S 8.28 4.19 0.00 3.93 4.01 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 0.00 0.00 0.00 32 K 8.08 4.32 0.00 1.89 1.83 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.41 7.81 33 G 7.70 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 34 I 7.53 3.63 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 1.11 0.00 0.00 35 P 0.00 4.19 0.00 2.35 2.11 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 36 N 8.25 4.39 0.00 2.89 2.82 0.00 0.00 6.83 7.20 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 37 V 7.65 3.60 2.06 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 1.00 0.00 0.00 0.92 0.00 0.00 38 L 7.84 3.94 0.00 1.89 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.92 3.73 0.00 1.96 2.09 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 40 R 8.07 4.01 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 41 T 8.20 4.00 4.41 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 1.22 0.00 0.00 42 R 8.79 3.92 0.00 2.08 2.03 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 A 7.93 3.95 1.39 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 0.00 0.00 44 C 7.61 4.77 0.00 3.12 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 45 I 8.40 3.68 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.93 0.00 0.00 46 L 7.90 4.41 0.00 1.64 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.93 4.47 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 48 V 7.64 3.82 2.20 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 1.31 0.00 0.00 1.04 0.00 0.00 49 A 8.20 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.17 2.13 0.00 3.61 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 51 P 0.00 4.36 0.00 1.90 2.15 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 52 F 7.50 4.54 0.00 3.41 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 53 V 8.07 3.87 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 0.92 0.00 0.00 1.02 0.00 0.00 54 A 7.79 4.01 1.51 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 0.00 0.00 55 F 8.59 4.18 0.00 3.20 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.49 3.72 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 3.91 0.00 1.75 1.73 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.68 3.63 2.18 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 1.07 0.00 0.00 0.96 0.00 0.00 59 Y 8.23 3.81 0.00 2.06 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 60 T 7.84 3.46 3.92 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 0.00 0.00 0.69 0.00 0.00 61 W 8.35 4.23 0.00 3.45 3.26 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 62 G 8.02 3.39 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 0.00 0.00 0.00 63 T 7.43 3.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 64 Q 7.23 3.83 0.00 2.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 65 E 7.72 3.54 0.00 1.16 1.12 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 1.70 2.04 0.00 66 F 7.94 4.10 0.00 3.06 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 67 E 7.42 3.63 0.00 2.22 1.83 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 2.19 2.33 0.00 68 K 7.67 3.86 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 69 S 7.49 4.17 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 6.81 4.30 0.00 1.47 1.51 0.00 1.25 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 0.87 7.81 71 R 6.58 4.68 0.00 1.89 1.79 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.00 72 K 8.19 4.67 0.00 1.65 1.67 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.31 7.81 73 N 7.96 4.71 0.00 2.60 2.56 0.00 0.00 6.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.46 0.00 2.07 1.96 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 75 A 8.45 4.08 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00