NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4150 8.3049 120.3313 55.6864 32.2686 175.5287 2 I 2.5981 8.1072 118.8894 60.7640 35.8657 169.3075 3 V 2.8934 8.4821 125.0735 62.1324 32.3923 173.7471 4 P 3.9977 0.0000 0.0000 62.9508 31.5123 176.1118 5 V 3.5746 8.2351 123.2216 63.3454 31.8499 172.4604 6 R 4.1034 8.5557 132.3693 55.5184 30.2167 175.3457 7 C 3.9933 8.2722 122.0549 59.0132 31.6621 173.8211 8 F 4.1380 7.6074 126.0210 61.1642 38.2850 177.0473 9 S 3.9609 7.6203 115.3040 61.5756 63.2116 175.1670 10 C 4.2976 7.9566 119.5424 58.5362 30.8900 175.1492 11 G 3.8813 8.1608 108.0736 44.6474 0.0000 173.2181 12 K 3.9562 7.8345 121.8789 55.6852 32.3690 176.0902 13 V 3.5995 8.3859 125.7076 63.8937 31.9415 175.6095 14 V 4.3496 8.3719 123.2840 62.7190 33.2871 177.1283 15 G 3.8186 8.2670 107.4421 47.4920 0.0000 173.2310 16 D 4.9863 7.8956 118.6438 53.2125 39.9835 176.9742 17 K 4.6471 8.0899 115.1279 55.8951 34.9479 178.2901 18 W 4.1433 8.4351 129.8433 60.6637 30.6835 177.5548 19 E 3.9223 8.3710 117.9582 59.4873 28.9653 179.1206 20 S 4.0840 8.1618 114.6198 61.9346 62.6996 175.7964 21 Y 3.9341 7.8215 120.4088 60.8078 38.7218 177.8216 22 L 3.7337 7.7832 119.8369 57.8874 41.6215 179.1533 23 N 4.1734 8.1337 116.1562 56.6574 38.1868 177.2342 24 L 3.8675 7.8279 119.9658 58.4120 41.4541 179.0905 25 L 3.9973 7.6732 119.2539 57.0561 41.3840 178.4765 26 Q 3.9087 7.8022 119.9476 60.0104 29.4009 178.8454 27 E 4.1032 8.1607 118.4781 59.4051 29.8374 178.8264 28 D 4.4142 8.0132 115.7482 54.7309 42.2155 176.1975 29 E 3.8925 7.2862 117.2439 56.4226 27.2604 173.4814 30 L 4.7533 7.4548 118.0152 52.5632 45.5495 176.7814 31 D 4.7352 8.2485 119.8363 52.6095 41.9337 177.5277 32 E 3.8992 8.6480 122.6580 59.4917 29.5161 180.0535 33 G 3.6530 8.1121 105.2038 48.3051 0.0000 175.7702 34 T 3.9166 7.7831 117.2352 65.9075 68.3215 176.6381 35 A 3.9258 7.5927 121.6095 55.6201 18.5312 179.2608 36 L 4.1683 8.0031 116.9137 58.2957 41.7486 179.7059 37 S 4.1346 8.0078 114.8752 62.0764 62.6453 177.1471 38 R 3.9901 8.2053 120.6292 59.0547 29.8710 177.7053 39 L 4.3822 7.7864 116.1997 54.6900 41.6503 177.8301 40 G 3.9349 7.8891 107.3338 45.6389 0.0000 175.1171 41 L 4.3651 7.4951 120.6360 53.4459 40.1655 176.0161 42 K 4.2389 8.1890 121.8337 57.5617 34.0957 178.1619 43 R 4.5100 7.5371 115.7997 54.2529 31.4158 176.7833 44 Y 4.2991 8.1690 118.8623 60.3115 36.8103 178.4032 45 C 4.2905 7.8359 116.2146 61.2226 29.5397 174.7134 46 C 4.1144 7.8293 116.1235 60.2591 28.3963 175.0735 47 R 4.3336 7.6407 120.1197 58.1137 30.4556 178.5183 48 R 4.0512 8.1770 115.9895 58.9668 29.2779 178.3717 49 M 3.8976 7.2422 118.9541 58.6724 32.2986 177.8321 50 I 4.1042 7.5043 118.7150 63.9431 37.5798 177.6138 51 L 3.9269 7.5909 119.7244 58.4210 41.8721 178.5244 52 T 4.2913 7.8774 113.6320 63.9203 69.3235 174.9517 53 H 4.0983 7.3170 120.4036 56.6780 30.1486 175.1302 54 V 4.0607 7.7850 125.5470 60.2324 31.8355 173.8559 55 D 4.3099 7.6695 131.1181 53.5869 40.6352 177.4265 56 L 3.6639 7.5904 121.8984 57.6946 42.0139 178.9473 57 I 3.8558 7.6846 118.2288 64.3310 37.5731 177.2410 58 E 4.0687 7.7499 117.7337 58.4376 29.2759 178.3372 59 K 4.3404 8.0800 118.0041 57.2672 32.9520 178.3073 60 F 4.8377 7.9283 118.0732 59.9935 38.7112 177.4567 61 L 4.2136 8.0230 117.0974 56.8979 41.7559 177.7522 62 R 3.9634 7.4421 117.1632 57.5881 30.1339 175.8683 63 Y 4.2194 7.8752 115.6146 58.1435 36.5358 175.2994 64 N 3.8621 7.9970 121.8252 55.9761 40.2602 172.6409 65 P 4.4779 0.0000 0.0000 62.9294 31.7129 175.9390 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 M 8.30 4.41 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.73 0.00 2 I 8.11 2.60 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.01 0.82 0.00 0.00 3 V 8.48 2.89 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 0.78 0.00 0.00 0.33 0.00 0.00 4 P 0.00 4.00 0.00 1.73 1.66 0.00 3.43 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 5 V 8.24 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.56 4.10 0.00 1.97 1.91 0.00 3.24 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 7 C 8.27 3.99 0.00 2.79 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 8 F 7.61 4.14 0.00 3.11 2.99 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 9 S 7.62 3.96 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.96 4.30 0.00 3.05 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 11 G 8.16 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 12 K 7.83 3.96 0.00 1.77 1.69 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.41 7.81 13 V 8.39 3.60 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 0.86 0.00 0.00 0.92 0.00 0.00 14 V 8.37 4.35 2.00 0.00 0.00 0.00 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 0.93 0.00 0.00 15 G 8.27 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 0.00 0.00 0.00 16 D 7.90 4.99 0.00 2.81 2.77 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 0.00 0.00 0.00 17 K 8.09 4.65 0.00 1.99 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 18 W 8.44 4.14 0.00 3.43 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 19 E 8.37 3.92 0.00 2.11 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 2.59 2.56 0.00 20 S 8.16 4.08 0.00 4.04 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 21 Y 7.82 3.93 0.00 2.88 2.93 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 0.00 0.00 0.00 22 L 7.78 3.73 0.00 1.63 1.55 0.27 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.13 4.17 0.00 2.81 2.81 0.00 0.00 7.08 7.55 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 24 L 7.83 3.87 0.00 1.61 1.59 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.67 4.00 0.00 1.60 1.42 0.56 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.80 3.91 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.09 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 27 E 8.16 4.10 0.00 1.96 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 2.31 0.00 28 D 8.01 4.41 0.00 2.66 2.67 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 29 E 7.29 3.89 0.00 2.02 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 2.41 2.35 0.00 30 L 7.45 4.75 0.00 1.71 1.47 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.25 4.74 0.00 2.85 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 32 E 8.65 3.90 0.00 2.14 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 0.00 2.48 2.50 0.00 33 G 8.11 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 34 T 7.78 3.92 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 35 A 7.59 3.93 1.15 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 0.00 0.00 36 L 8.00 4.17 0.00 2.01 1.78 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.01 4.13 0.00 3.94 3.95 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 38 R 8.21 3.99 0.00 1.77 2.10 0.00 3.23 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 7.79 4.38 0.00 1.87 1.72 1.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.89 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.50 4.37 0.00 1.78 1.65 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.19 4.24 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 43 R 7.54 4.51 0.00 1.72 1.93 0.00 2.85 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 44 Y 8.17 4.30 0.00 3.18 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 45 C 7.84 4.29 0.00 3.20 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 C 7.83 4.11 0.00 3.08 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 47 R 7.64 4.33 0.00 1.94 2.02 0.00 3.22 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 48 R 8.18 4.05 0.00 2.16 2.25 0.00 2.92 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 49 M 7.24 3.90 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 50 I 7.50 4.10 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.08 0.00 0.00 51 L 7.59 3.93 0.00 1.77 1.81 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.88 4.29 4.45 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 1.26 0.00 0.00 53 H 7.32 4.10 0.00 3.05 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.78 4.06 2.03 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 0.83 0.00 0.00 0.98 0.00 0.00 55 D 7.67 4.31 0.00 2.41 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.66 0.00 1.57 0.75 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.68 3.86 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.92 0.00 0.00 58 E 7.75 4.07 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 59 K 8.08 4.34 0.00 1.53 1.78 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.27 7.81 60 F 7.93 4.84 0.00 3.27 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 61 L 8.02 4.21 0.00 1.70 1.79 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.44 3.96 0.00 1.77 1.70 0.00 3.20 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 63 Y 7.88 4.22 0.00 3.20 2.96 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 0.00 0.00 0.00 64 N 8.00 3.86 0.00 2.70 2.80 0.00 0.00 7.24 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 65 P 0.00 4.48 0.00 2.24 2.04 0.00 3.95 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 2.01 1.99 0.00