NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3972 0.0000 0.0000 62.2705 32.9499 176.8223 3 D 4.4858 8.3301 118.0633 53.7975 40.8837 177.1776 4 S 4.2800 8.0984 115.4778 60.8710 64.4270 175.9121 5 V 3.7455 7.5032 119.3122 64.3135 31.3279 176.2865 6 S 4.7323 7.4347 111.1522 58.3233 63.1627 174.1265 7 I 3.9909 7.2741 122.2354 60.4338 37.4307 174.3813 8 P 4.4722 0.0000 0.0000 62.8044 31.8592 175.6196 9 I 4.5247 8.0415 119.9400 59.8437 39.9751 175.2084 10 T 4.4352 8.4258 121.7911 62.6945 69.4896 174.7051 11 C 4.8998 8.5060 121.8545 55.2731 44.1910 173.8823 12 C 4.8465 8.2361 118.0260 55.6053 40.7037 174.2579 13 F 4.0871 8.8231 123.8130 58.5992 39.3219 175.7456 14 N 5.1964 7.9541 115.6287 51.4248 42.4648 173.7862 15 V 4.6675 8.0078 112.6754 59.0708 34.9146 175.8365 16 I 3.8972 8.9274 124.2247 61.7044 38.3047 175.5747 17 N 4.8623 8.7469 122.3732 53.3315 39.8813 175.2512 18 R 4.4802 7.6667 114.4594 53.7896 31.3106 176.3182 19 K 2.4800 7.9283 119.5793 56.1770 33.2493 176.1288 20 I 4.1635 5.4200 121.1015 58.4928 39.3649 173.9751 21 P 4.2522 0.0000 0.0000 62.4352 31.9657 177.5458 22 I 3.6483 8.5493 124.5539 64.3943 37.1959 177.9848 23 Q 4.2086 7.9051 116.4310 58.1519 29.0742 177.4467 24 R 4.2206 8.1663 119.0239 58.6983 30.4031 176.6173 25 L 4.4399 7.5361 118.1972 54.5160 41.7808 176.0825 26 E 4.7199 8.7570 124.9728 56.4105 31.4359 175.1506 27 S 4.9127 8.0097 112.1917 58.7205 65.7710 174.1793 28 Y 5.4646 8.2320 117.2901 56.2922 40.6331 173.5740 29 T 4.5092 8.7551 109.8894 60.1250 72.9677 172.4494 30 R 4.8993 8.1840 120.3450 54.2206 32.3169 176.4700 31 I 3.9699 8.4992 125.1357 61.7877 37.1599 176.1968 32 T 4.4356 8.5859 114.5972 60.8433 70.4398 173.1152 33 N 4.6675 7.7974 122.1092 52.1192 39.8665 175.3448 34 I 3.7391 8.2984 125.5020 63.4353 38.3418 176.7960 35 Q 4.1277 9.1732 119.6432 58.8607 28.7522 176.3166 36 C 4.3965 7.8543 115.1477 55.9812 40.6800 172.0773 37 P 4.1873 0.0000 0.0000 64.4899 31.6178 176.2742 38 K 4.5481 7.1799 115.9221 55.1780 35.1430 175.2009 39 E 4.0093 8.5472 120.2063 56.5698 30.1523 175.9848 40 A 4.5068 7.8419 122.5178 51.5542 22.9069 175.0178 41 V 4.6614 8.3938 112.2836 59.5970 35.5575 175.5210 42 I 4.8047 8.4605 124.6635 59.6807 39.1345 175.0563 43 F 5.1917 9.0749 127.4059 57.0027 40.6311 174.8129 44 K 5.1175 9.2227 125.1879 55.1005 33.9021 176.3367 45 T 4.6917 8.6986 118.5598 61.0475 70.4265 175.7412 46 Q 4.0254 8.5936 120.5695 59.3690 28.6400 179.2243 47 R 3.9580 7.8648 114.6205 57.7660 30.2612 177.6214 48 G 4.0006 7.9692 105.6478 44.4563 0.0000 173.6097 49 K 4.2471 7.9551 121.1206 56.4729 33.5883 175.2375 50 E 5.3218 8.7136 123.7983 54.5639 32.3152 175.5634 51 V 4.5112 8.6882 123.4388 61.2140 34.8920 173.7522 52 C 5.0864 8.9660 125.4179 56.9030 41.0265 172.5340 53 A 5.0545 9.1801 124.4084 50.2659 23.3367 174.4928 54 D 4.8698 8.4822 119.5120 52.2969 41.7669 175.4662 55 P 4.3318 0.0000 0.0000 64.4545 31.5464 177.5881 56 K 4.0887 8.0009 118.3652 58.4840 32.5346 177.8923 57 E 4.2398 8.2778 119.8439 55.4700 31.3342 177.1320 58 R 3.8789 8.6665 123.1113 59.6506 30.2149 178.7500 59 W 4.3179 8.4372 115.7816 59.7742 27.7395 178.2567 60 V 2.9054 6.8307 118.2067 65.6636 30.9475 178.1338 61 R 3.7938 7.8408 117.7901 59.2278 29.8526 178.8358 62 D 4.3511 8.2592 118.8596 57.5399 40.7773 179.0423 63 S 4.2267 8.5271 116.0942 61.7206 62.6900 176.6407 64 M 3.7426 8.2381 121.9428 57.9121 31.4909 178.5732 65 K 3.9125 8.2748 119.9941 59.7905 32.1529 177.9047 66 H 4.1425 8.2740 118.3969 59.7892 29.7478 177.1115 67 L 4.0525 8.2790 120.3623 57.5123 41.4037 179.2167 68 D 4.5046 8.5658 119.4469 58.0343 40.8136 178.1057 69 Q 3.9258 8.4594 118.0662 59.6384 28.6518 179.3967 70 I 3.6813 7.7795 119.6460 64.9080 37.1906 178.1905 71 F 4.2086 8.0474 119.6648 61.3843 39.2426 176.6343 72 Q 3.5529 7.8586 115.9130 57.2545 28.8489 176.9682 73 N 4.5963 7.9563 115.8148 53.1830 40.3740 175.8383 74 L 4.5941 7.5822 124.7756 52.7083 40.2633 177.5596 75 K 4.4926 7.2757 119.4557 57.6734 33.1572 175.2805 76 P 4.3698 0.0000 0.0000 62.2880 30.5688 175.8976 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 P 0.00 4.40 0.00 2.19 2.04 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 3 D 8.33 4.49 0.00 2.86 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 4 S 8.10 4.28 0.00 4.00 4.11 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 0.00 0.00 0.00 0.00 5 V 7.50 3.75 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 0.80 0.00 0.00 0.93 0.00 0.00 6 S 7.43 4.73 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 7 I 7.27 3.99 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.91 0.00 0.00 8 P 0.00 4.47 0.00 2.18 2.06 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 I 8.04 4.52 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.90 0.00 0.00 10 T 8.43 4.44 4.23 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 1.22 0.00 0.00 11 C 8.51 4.90 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.24 4.85 0.00 2.82 3.11 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 0.00 0.00 0.00 0.00 13 F 8.82 4.09 0.00 3.07 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 14 N 7.95 5.20 0.00 2.70 2.71 0.00 0.00 6.71 7.68 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 15 V 8.01 4.67 2.13 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 0.70 0.00 0.00 0.97 0.00 0.00 16 I 8.93 3.90 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 1.36 0.00 0.00 17 N 8.75 4.86 0.00 2.76 2.87 0.00 0.00 6.91 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 18 R 7.67 4.48 0.00 1.79 1.86 0.00 2.91 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 19 K 7.93 2.48 0.00 0.79 0.99 0.00 1.22 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 0.90 1.04 7.81 20 I 5.42 4.16 1.80 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 0.86 0.00 0.00 21 P 0.00 4.25 0.00 2.12 1.92 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 22 I 8.55 3.65 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.90 0.00 0.00 23 Q 7.91 4.21 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 24 R 8.17 4.22 0.00 2.20 2.00 0.00 3.32 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 25 L 7.54 4.44 0.00 1.55 1.36 0.37 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.76 4.72 0.00 1.97 2.16 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 2.27 2.40 0.00 27 S 8.01 4.91 0.00 3.87 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 28 Y 8.23 5.46 0.00 2.72 3.01 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 29 T 8.76 4.51 4.13 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 1.08 0.00 0.00 30 R 8.18 4.90 0.00 1.65 1.83 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 31 I 8.50 3.97 1.86 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 1.31 0.63 0.82 0.00 0.00 32 T 8.59 4.44 4.20 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 0.00 0.00 0.00 1.21 0.00 0.00 33 N 7.80 4.67 0.00 2.71 2.68 0.00 0.00 6.83 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 34 I 8.30 3.74 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.90 0.00 0.00 35 Q 9.17 4.13 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 36 C 7.85 4.40 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.12 2.17 0.00 3.27 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 38 K 7.18 4.55 0.00 1.78 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 39 E 8.55 4.01 0.00 1.93 1.87 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 2.26 2.26 0.00 40 A 7.84 4.51 1.14 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 0.00 0.00 41 V 8.39 4.66 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 0.47 0.00 0.00 0.09 0.00 0.00 42 I 8.46 4.80 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.93 0.00 0.00 43 F 9.07 5.19 0.00 3.07 2.94 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 44 K 9.22 5.12 0.00 1.86 1.75 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 45 T 8.70 4.69 4.35 0.00 0.00 0.00 0.00 0.00 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 46 Q 8.59 4.03 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 47 R 7.86 3.96 0.00 1.80 2.01 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 48 G 7.97 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 49 K 7.96 4.25 0.00 1.90 1.74 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.60 7.81 50 E 8.71 5.32 0.00 1.89 1.86 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 2.24 2.30 0.00 51 V 8.69 4.51 2.35 0.00 0.00 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 1.05 0.00 0.00 52 C 8.97 5.09 0.00 3.02 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 53 A 9.18 5.05 1.13 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 0.00 0.00 54 D 8.48 4.87 0.00 2.80 2.55 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 55 P 0.00 4.33 0.00 2.09 1.98 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 56 K 8.00 4.09 0.00 1.76 1.88 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 57 E 8.28 4.24 0.00 1.85 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 2.42 2.33 0.00 58 R 8.67 3.88 0.00 1.96 2.04 0.00 3.27 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 59 W 8.44 4.32 0.00 3.60 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.83 2.91 1.85 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 0.80 0.00 0.00 -0.54 0.00 0.00 61 R 7.84 3.79 0.00 1.85 1.90 0.00 3.23 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 62 D 8.26 4.35 0.00 2.91 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 63 S 8.53 4.23 0.00 3.68 3.79 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 64 M 8.24 3.74 0.00 1.64 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.81 0.00 65 K 8.27 3.91 0.00 1.94 2.00 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 66 H 8.27 4.14 0.00 3.34 3.64 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.28 4.05 0.00 2.01 1.86 1.23 1.02 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 68 D 8.57 4.50 0.00 2.96 2.86 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 69 Q 8.46 3.93 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 70 I 7.78 3.68 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.94 0.00 0.00 71 F 8.05 4.21 0.00 2.99 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.86 3.55 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 73 N 7.96 4.60 0.00 2.66 2.83 0.00 0.00 6.82 7.42 0.00 0.00 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 L 7.58 4.59 0.00 1.77 1.58 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.28 4.49 0.00 1.74 1.62 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.08 1.38 7.81 76 P 0.00 4.37 0.00 2.08 2.04 0.00 3.68 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 1.98 2.11 0.00