NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2976 8.1933 115.2928 59.7283 62.4491 173.0100 2 R 3.6223 8.2742 122.6325 55.8320 27.9398 172.3475 3 V 3.8430 7.6151 113.6688 61.1335 30.7997 176.3360 4 C 3.7842 7.9643 126.5465 60.3680 31.2140 172.8803 5 Q 3.9329 7.2778 122.7189 57.0038 29.0584 174.7698 6 V 3.7798 7.6826 117.9439 64.2554 30.6290 177.0902 7 T 4.4489 7.7011 107.4034 59.7110 69.5352 173.7703 8 G 4.1843 8.1812 109.1720 46.4981 0.0000 174.1251 9 K 4.1326 7.4170 118.0159 56.0360 32.6704 177.0107 10 R 4.8046 8.1544 121.0401 53.1221 33.7761 173.4124 11 P 4.4274 0.0000 0.0000 63.0252 31.2329 175.8461 12 V 4.5329 7.9629 116.6897 59.5885 33.9948 175.5793 13 T 4.3288 8.6473 115.8329 61.6230 69.4712 173.7808 14 G 4.7008 8.5591 116.1611 45.2463 0.0000 170.7993 15 N 5.2493 8.7125 117.8445 51.6203 42.1424 174.4569 16 N 4.1356 8.4240 120.0370 54.8540 38.4118 174.9886 17 R 3.6997 7.9508 123.2723 56.6100 26.4854 176.7371 18 S 4.3744 7.6098 116.2901 57.3825 65.1956 174.1980 19 H 4.2307 8.3361 117.1200 56.5303 29.0841 176.1766 20 A 3.9205 9.2816 124.3048 52.1907 17.7541 177.5893 21 L 3.8133 7.7168 111.9835 56.7844 37.7727 175.0924 22 N 4.4119 7.5806 116.1519 52.6147 38.2021 175.4858 23 A 4.4483 8.4466 126.9467 51.2616 18.0326 176.8178 24 T 4.3992 7.9752 112.6806 61.2909 71.5499 173.2781 25 K 5.0191 7.4020 124.4927 52.1950 31.1130 175.6522 26 R 4.1229 8.3963 121.7596 55.3089 31.6671 172.8397 27 R 3.7639 7.8324 125.9524 55.5103 29.1362 175.3792 28 F 4.5740 8.1227 124.3105 56.6179 40.1658 174.5688 29 L 4.4216 7.8314 120.8918 55.4145 42.1803 171.3842 30 P 4.9108 0.0000 0.0000 60.9797 33.1542 175.4760 31 N 4.6754 8.4293 118.3712 51.8414 36.1495 173.3852 32 L 5.2253 7.9595 124.9741 53.7324 43.6119 176.8868 33 H 4.5821 8.5245 115.1737 54.8606 28.7916 171.7983 34 S 3.5401 8.2685 119.9403 59.4988 62.8492 171.7482 35 H 4.2772 7.8642 117.0741 55.6481 32.8185 173.3623 36 R 4.6623 8.5128 125.6979 56.1048 31.0015 176.0215 37 F 5.1175 9.7428 121.5801 55.6090 42.7802 173.9064 38 W 5.6359 9.1907 130.2986 56.4642 31.5096 175.7907 39 V 3.6191 6.8842 118.7024 60.7397 33.0601 175.2943 40 E 3.1980 5.9000 121.6990 56.4658 27.7245 176.7094 41 S 3.4593 7.0116 109.1425 62.7934 63.3922 175.2236 42 E 3.7981 8.2825 129.8827 57.3890 30.8085 176.2829 43 K 3.3078 7.3499 118.5889 56.2065 30.7364 173.0441 44 R 4.7378 6.5063 114.9765 55.8695 33.3983 175.0511 45 F 6.0465 8.8446 118.2975 56.1285 39.9771 175.9456 46 V 4.5225 8.7641 117.8220 59.9097 33.8533 174.6519 47 T 5.0893 8.7030 120.4639 60.6277 68.7731 173.5759 48 L 4.8423 8.7019 128.1938 52.7024 45.0504 176.2271 49 R 4.0073 9.0511 122.9201 57.3716 30.4195 175.6334 50 V 5.0031 8.1940 119.0661 59.3349 36.0595 174.4736 51 S 5.2609 8.3725 113.5745 56.5375 66.6128 173.6969 52 A 4.2429 8.4933 123.0951 53.2185 19.0165 177.5592 53 K 4.3201 8.9869 125.6319 57.7984 32.1065 178.2908 54 G 4.2384 7.7613 103.6584 46.1065 0.0000 174.1931 55 M 4.4994 7.9657 120.3530 56.8584 33.3566 177.9304 56 R 4.0493 8.1345 117.5180 59.1331 30.4629 178.1912 57 V 3.8865 8.0138 119.2286 64.3700 31.6786 178.2528 58 I 3.7755 7.5419 118.3652 63.2809 37.0265 177.1197 59 D 4.5841 8.1442 119.4405 55.2987 41.0776 177.2047 60 K 3.9538 7.9802 119.1351 56.6999 31.7804 177.4164 61 K 3.9653 8.4921 119.3110 59.4197 33.4591 177.1633 62 G 4.0740 8.7983 106.2997 44.1714 0.0000 173.7813 63 I 3.2753 7.9584 115.5871 65.1156 37.5874 177.5859 64 D 4.3517 7.7820 120.0492 56.5963 41.0234 178.6298 65 T 3.8857 7.9149 115.8187 66.8195 68.2300 175.9894 66 V 4.1407 8.0208 119.4025 63.6501 31.6951 176.8442 67 L 4.3269 7.7467 116.8973 54.8839 41.6752 177.8530 68 A 4.1460 7.7897 122.8276 56.0593 18.6707 179.0419 69 E 4.2973 8.0080 115.4929 56.9754 31.7916 175.9396 70 L 3.9676 8.6302 121.9988 56.5299 40.0950 177.1171 71 R 3.7039 7.8317 117.1337 58.7603 30.3222 177.6084 72 A 4.3553 7.4450 117.3761 53.3813 18.2581 177.6630 73 R 4.4432 7.2595 112.0160 54.5453 32.9715 174.3977 74 G 3.5535 7.7395 105.5323 46.5301 0.0000 174.8338 75 E 4.6413 8.1976 118.7433 55.7584 30.5756 177.4189 76 K 3.3076 8.2990 119.6347 57.5091 33.2398 175.4140 77 Y 4.0476 8.6335 114.6717 57.9025 39.1134 169.8731 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 S 8.19 4.30 0.00 3.88 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 2 R 8.27 3.62 0.00 2.01 2.02 0.00 3.44 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 3 V 7.62 3.84 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 0.79 0.00 0.00 0.96 0.00 0.00 4 C 7.96 3.78 0.00 3.27 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 5 Q 7.28 3.93 0.00 2.64 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 6 V 7.68 3.78 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 0.93 0.00 0.00 0.88 0.00 0.00 7 T 7.70 4.45 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 1.20 0.00 0.00 8 G 8.18 4.18 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 0.00 0.00 0.00 9 K 7.42 4.13 0.00 1.91 1.75 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 R 8.15 4.80 0.00 1.76 1.82 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 11 P 0.00 4.43 0.00 2.20 2.12 0.00 3.76 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 2.00 0.00 12 V 7.96 4.53 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 0.93 0.00 0.00 1.06 0.00 0.00 13 T 8.65 4.33 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 14 G 8.56 4.70 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 15 N 8.71 5.25 0.00 2.60 2.68 0.00 0.00 6.78 8.00 0.00 0.00 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 8.42 4.14 0.00 2.64 2.79 0.00 0.00 7.00 7.54 0.00 0.00 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 R 7.95 3.70 0.00 1.97 1.98 0.00 3.38 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 18 S 7.61 4.37 0.00 4.01 4.03 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 19 H 8.34 4.23 0.00 3.14 3.31 0.00 6.02 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.28 3.92 1.38 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 0.00 0.00 0.00 21 L 7.72 3.81 0.00 1.82 1.92 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.58 4.41 0.00 2.84 2.79 0.00 0.00 6.78 7.23 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 23 A 8.45 4.45 1.23 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 0.00 0.00 24 T 7.98 4.40 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 25 K 7.40 5.02 0.00 1.66 1.73 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.43 7.81 26 R 8.40 4.12 0.00 1.70 1.89 0.00 2.82 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.00 27 R 7.83 3.76 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 28 F 8.12 4.57 0.00 3.24 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 29 L 7.83 4.42 0.00 1.70 1.67 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.91 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 31 N 8.43 4.68 0.00 3.00 2.97 0.00 0.00 6.03 7.79 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 32 L 7.96 5.23 0.00 1.65 1.61 0.99 1.15 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 33 H 8.52 4.58 0.00 3.19 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.27 3.54 0.00 4.04 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 35 H 7.86 4.28 0.00 3.13 2.94 0.00 5.86 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.51 4.66 0.00 1.41 1.80 0.00 3.15 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 37 F 9.74 5.12 0.00 3.07 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 38 W 9.19 5.64 0.00 3.71 3.17 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 39 V 6.88 3.62 1.82 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 0.63 0.00 0.00 0.62 0.00 0.00 40 E 5.90 3.20 0.00 1.84 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 1.82 2.18 0.00 41 S 7.01 3.46 0.00 3.72 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.80 0.00 1.88 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 2.31 2.30 0.00 43 K 7.35 3.31 0.00 2.03 1.79 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.54 7.81 44 R 6.51 4.74 0.00 1.98 2.03 0.00 3.09 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 45 F 8.84 6.05 0.00 3.12 3.06 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 46 V 8.76 4.52 2.19 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 0.92 0.00 0.00 1.00 0.00 0.00 47 T 8.70 5.09 4.27 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 1.29 0.00 0.00 48 L 8.70 4.84 0.00 1.74 1.60 0.74 1.07 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 49 R 9.05 4.01 0.00 1.83 1.96 0.00 3.17 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 50 V 8.19 5.00 2.14 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 1.00 0.00 0.00 1.11 0.00 0.00 51 S 8.37 5.26 0.00 3.84 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 0.00 52 A 8.49 4.24 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 53 K 8.99 4.32 0.00 1.95 1.93 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 54 G 7.76 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 0.00 0.00 0.00 0.00 55 M 7.97 4.50 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 56 R 8.13 4.05 0.00 1.81 2.06 0.00 3.23 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 57 V 8.01 3.89 2.21 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 0.70 0.00 0.00 0.91 0.00 0.00 58 I 7.54 3.78 1.94 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.59 0.00 0.00 59 D 8.14 4.58 0.00 2.80 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 60 K 7.98 3.95 0.00 1.91 1.57 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 61 K 8.49 3.97 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 G 8.80 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.96 3.28 1.74 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 1.59 0.45 0.84 0.00 0.00 64 D 7.78 4.35 0.00 2.64 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 65 T 7.91 3.89 4.34 0.00 0.00 0.00 0.00 0.00 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 66 V 8.02 4.14 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 1.02 0.00 0.00 0.86 0.00 0.00 67 L 7.75 4.33 0.00 1.59 1.49 0.72 -0.50 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 68 A 7.79 4.15 1.32 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 0.00 0.00 69 E 8.01 4.30 0.00 2.09 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 2.40 2.46 0.00 70 L 8.63 3.97 0.00 2.31 2.10 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.83 3.70 0.00 1.77 1.94 0.00 3.10 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.00 72 A 7.44 4.36 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 73 R 7.26 4.44 0.00 1.85 1.90 0.00 3.35 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 74 G 7.74 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.20 4.64 0.00 1.97 1.93 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 2.24 2.37 0.00 76 K 8.30 3.31 0.00 1.98 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 Y 8.63 4.05 0.00 3.19 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