NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4673 8.2649 123.5842 51.9273 20.1528 176.8611 2 D 4.4881 8.6254 120.6256 55.7581 41.9619 171.0996 3 V 4.9564 7.9373 116.0252 61.1524 35.3734 174.4720 4 V 4.6325 9.1474 124.8551 61.8763 35.7256 173.7462 5 T 5.1207 8.0607 118.5192 62.0549 72.8457 173.3334 6 Y 4.3530 9.1223 122.5113 56.1543 40.9872 174.8738 7 E 4.6076 8.7925 124.5846 55.8832 30.7533 176.0797 8 N 5.1631 8.2118 116.0234 51.4385 43.0797 175.8377 9 K 3.9472 8.7196 120.0389 59.7497 32.2191 178.5481 10 K 4.1341 7.8663 114.8022 56.3905 31.5372 176.1625 11 G 4.2814 7.8713 107.8303 43.2327 0.0000 173.3411 12 N 4.9899 9.0485 119.7658 52.5434 39.2059 174.2238 13 V 5.0647 8.8092 114.5760 59.0535 34.6513 175.2342 14 T 4.5963 8.7188 122.0050 63.5024 69.5829 173.8555 15 F 5.1553 9.4759 124.6081 56.0356 41.5952 174.3235 16 D 5.2048 9.0048 122.5399 53.5114 42.7359 174.9930 17 H 4.8261 9.5019 120.3073 57.9048 31.5000 176.6299 18 K 3.8838 7.7963 120.2215 59.6003 32.1362 178.5084 19 A 3.9963 8.0311 119.2582 55.5236 18.4349 179.0017 20 H 4.2884 8.2691 113.8088 59.1452 28.9096 177.3628 21 A 3.9622 8.1799 122.6768 55.7165 17.8527 179.3151 22 E 3.8936 8.2815 116.0056 59.1876 29.5411 178.8209 23 K 4.2420 7.7956 116.5507 58.8041 33.0749 178.2000 24 L 3.9901 8.1997 117.8273 57.9299 41.7122 179.0887 25 G 3.5795 8.0282 104.2878 46.8128 0.0000 172.7025 26 C 4.0274 7.7557 118.7055 60.9474 27.5797 174.0877 27 D 5.1216 7.6911 117.9264 52.5742 38.9631 175.4888 28 A 4.6500 7.5350 122.6803 53.7959 26.3000 178.0766 29 C 4.1099 8.1499 111.9051 62.8618 28.5611 173.9710 30 H 4.7673 8.0498 116.1968 54.8401 30.0505 173.4230 31 E 4.7708 7.9793 118.5571 55.8358 32.3415 175.3363 32 G 3.6829 9.5185 105.3180 47.3625 0.0000 168.9155 33 T 3.1832 7.9366 123.3420 62.6363 65.1355 170.0973 34 P 4.2689 0.0000 0.0000 62.6899 32.1166 175.7641 35 A 4.3574 7.8716 121.6458 51.0163 21.7741 175.8678 36 K 4.0856 8.5104 118.0948 57.2210 31.5204 176.8974 37 I 3.8241 8.1559 125.3869 61.4109 37.8771 177.6595 38 A 4.3622 8.2405 127.6628 51.2956 16.2195 176.2714 39 I 3.7486 7.6217 121.3799 60.9425 38.1043 175.5550 40 D 4.4468 7.9924 122.9856 52.7298 41.4691 175.1903 41 K 4.4294 8.4815 118.0020 57.1319 31.8426 177.0042 42 K 4.3889 8.2654 114.5595 57.7970 34.3929 178.5965 43 S 3.9374 9.3057 113.3127 61.3933 62.8487 175.8342 44 A 3.9269 8.2882 123.3348 55.7724 17.9950 178.7492 45 H 4.6676 7.5053 105.8726 56.1618 29.7232 176.3052 46 K 4.6023 7.8862 126.7614 56.4195 30.4231 179.3960 47 D 4.5839 9.0359 114.4420 55.7542 40.9309 176.9468 48 A 3.9831 7.9069 121.3631 55.2344 18.2428 177.0387 49 C 4.6006 8.2419 110.1235 61.4757 30.3219 178.7210 50 K 4.4346 7.5595 118.5142 57.0041 30.8206 177.7476 51 T 4.4051 8.2451 113.6622 65.5509 70.9047 176.4752 52 C 4.3054 7.6686 120.2844 59.6980 31.5863 173.7575 53 H 4.7701 7.8773 114.5464 56.7466 32.6009 176.4109 54 K 3.9744 7.7612 116.6880 59.0311 31.9143 177.3641 55 S 4.6706 7.9016 111.4402 57.9271 62.3176 172.3746 56 N 5.0478 8.1627 116.0500 50.8957 42.4077 173.4070 57 N 4.7526 8.4843 117.0830 52.9421 40.0381 177.4791 58 G 3.9976 8.3988 110.1664 44.5142 0.0000 175.5051 59 P 4.3865 0.0000 0.0000 62.6592 31.9210 174.2973 60 T 4.1672 7.9987 121.7170 62.8769 71.0174 174.6777 61 K 4.2003 8.1213 120.3800 57.2933 31.8934 176.8702 62 C 4.0592 8.1453 120.6381 62.2193 31.6637 174.3605 63 G 3.9807 7.7721 110.9563 45.5944 0.0000 171.5394 64 G 3.9682 7.2361 108.8384 47.4336 0.0000 171.7254 65 C 4.1462 7.9529 115.6925 62.2055 28.7933 173.9990 66 H 4.7387 8.1201 117.4410 55.8473 28.5430 174.7790 67 I 4.3409 8.8156 126.5204 60.1861 38.9668 176.1175 68 K 4.1559 8.6297 124.0453 57.0346 33.0369 174.8119 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 A 8.26 4.47 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 2 D 8.63 4.49 0.00 2.81 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 3 V 7.94 4.96 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 0.82 0.00 0.00 1.02 0.00 0.00 4 V 9.15 4.63 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 0.57 0.00 0.00 0.93 0.00 0.00 5 T 8.06 5.12 4.16 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 1.25 0.00 0.00 6 Y 9.12 4.35 0.00 2.67 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 7 E 8.79 4.61 0.00 1.95 1.89 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 2.30 2.29 0.00 8 N 8.21 5.16 0.00 2.90 2.71 0.00 0.00 7.21 8.28 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 9 K 8.72 3.95 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 10 K 7.87 4.13 0.00 1.57 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.31 7.81 11 G 7.87 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 0.00 0.00 0.00 0.00 12 N 9.05 4.99 0.00 2.83 2.99 0.00 0.00 6.94 7.22 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 13 V 8.81 5.06 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 0.94 0.00 0.00 1.30 0.00 0.00 14 T 8.72 4.60 4.31 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 1.32 0.00 0.00 15 F 9.48 5.16 0.00 2.86 3.05 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 16 D 9.00 5.20 0.00 2.54 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.50 4.83 0.00 3.24 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.80 3.88 0.00 1.89 1.81 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.51 7.81 19 A 8.03 4.00 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 20 H 8.27 4.29 0.00 3.32 3.26 0.00 5.85 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 21 A 8.18 3.96 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 22 E 8.28 3.89 0.00 1.94 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 2.36 2.59 0.00 23 K 7.80 4.24 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 24 L 8.20 3.99 0.00 1.70 1.71 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.76 4.03 0.00 3.18 3.02 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 0.00 0.00 0.00 27 D 7.69 5.12 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.53 4.65 1.21 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 0.00 0.00 29 C 8.15 4.11 0.00 2.84 2.81 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 30 H 8.05 4.77 0.00 3.33 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.98 4.77 0.00 1.88 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 2.20 2.27 0.00 32 G 9.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 3.18 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 34 P 0.00 4.27 0.00 1.81 1.74 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 35 A 7.87 4.36 1.25 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 0.00 0.00 36 K 8.51 4.09 0.00 1.92 1.94 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.50 7.81 37 I 8.16 3.82 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.91 0.00 0.00 38 A 8.24 4.36 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 39 I 7.62 3.75 1.86 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 1.70 1.10 0.55 0.00 0.00 40 D 7.99 4.45 0.00 2.82 2.73 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 41 K 8.48 4.43 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.23 7.81 42 K 8.27 4.39 0.00 2.12 1.78 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 43 S 9.31 3.94 0.00 3.86 3.87 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 44 A 8.29 3.93 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 45 H 7.51 4.67 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.89 4.60 0.00 1.98 1.33 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.54 7.81 47 D 9.04 4.58 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 48 A 7.91 3.98 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 49 C 8.24 4.60 0.00 2.97 2.79 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 50 K 7.56 4.43 0.00 2.14 1.79 0.00 1.22 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.27 7.81 51 T 8.25 4.41 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 52 C 7.67 4.31 0.00 2.84 2.73 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 53 H 7.88 4.77 0.00 3.22 3.46 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.76 3.97 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.39 7.81 55 S 7.90 4.67 0.00 3.80 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 56 N 8.16 5.05 0.00 2.79 2.68 0.00 0.00 6.95 7.48 0.00 0.00 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 N 8.48 4.75 0.00 2.81 2.83 0.00 0.00 6.13 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 58 G 8.40 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 59 P 0.00 4.39 0.00 2.09 1.98 0.00 4.03 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 60 T 8.00 4.17 4.25 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 1.27 0.00 0.00 61 K 8.12 4.20 0.00 1.90 1.89 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 62 C 8.15 4.06 0.00 3.09 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 63 G 7.77 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 64 G 7.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.95 4.15 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.12 4.74 0.00 3.16 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.82 4.34 1.90 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 1.40 0.97 0.93 0.00 0.00 68 K 8.63 4.16 0.00 1.95 1.73 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81