NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6285 8.3544 109.7330 41.2201 0.0000 170.8943 2 S 3.3344 7.9340 129.3916 55.9857 61.2668 169.9006 3 S 4.4648 7.9926 120.1931 57.4640 65.5829 175.5558 4 G 3.8924 8.5329 111.4252 45.3046 0.0000 174.3667 5 S 4.4006 7.6647 114.2523 54.7773 62.1660 171.9638 6 S 4.3117 8.0230 114.3228 62.4238 63.0488 176.5293 7 G 4.2171 8.8041 120.8147 44.7331 0.0000 171.9353 8 E 3.7252 7.7082 119.7012 56.1972 30.2574 177.6577 9 R 4.1516 8.1113 122.1802 54.8378 31.5484 174.1547 10 V 4.2120 7.7375 124.5953 60.7668 34.2734 175.1811 11 F 4.1653 8.3415 121.8342 56.0109 39.1820 175.1231 12 A 4.8901 8.6050 117.0290 51.4513 20.6805 175.5467 13 A 4.1956 9.2087 122.4624 52.7174 18.9901 176.3486 14 E 4.4936 8.1170 119.3313 57.4041 32.4729 175.2836 15 A 4.9183 6.9957 117.7905 52.3488 23.1088 174.2733 16 L 4.9276 8.5785 117.7793 53.6681 42.3849 177.2629 17 L 4.2776 9.4838 126.0916 56.8513 42.4430 176.9040 18 K 4.7585 7.5807 117.7398 55.2868 36.1311 174.5889 19 R 5.2422 8.7689 123.0579 54.9121 32.8029 174.0633 20 R 4.6898 9.8016 124.9804 54.8180 35.3195 173.6866 21 I 4.7225 7.8241 119.0454 60.2136 40.3163 175.7691 22 R 4.0565 8.1934 126.1513 56.8858 30.9493 177.8968 23 K 4.3147 7.3704 112.7336 55.3036 33.3731 173.8570 24 G 3.7544 8.2683 112.6073 46.0112 0.0000 174.6101 25 R 4.2315 7.8594 118.8856 55.4784 31.4801 175.2831 26 M 4.6134 8.4301 120.8177 54.1623 33.4927 174.5333 27 E 5.2424 8.8181 124.5530 55.0207 32.0089 175.0867 28 Y 5.1281 9.0414 121.1015 56.0636 41.7898 175.3251 29 L 4.0229 9.3199 124.4561 53.8309 41.0424 176.8035 30 V 3.3931 7.7239 123.1639 61.5927 32.5631 176.5288 31 K 4.1765 8.1326 125.0236 54.0108 32.0672 173.3458 32 W 5.0395 8.0450 123.5931 56.7299 29.7174 175.8233 33 K 3.9823 9.1737 127.7223 56.7071 32.7862 174.8393 34 G 4.1688 9.2507 112.4695 44.5501 0.0000 173.0987 35 W 4.9168 8.1851 117.9942 53.7514 31.1457 176.2282 36 S 4.5410 8.3412 113.7329 57.0179 62.2883 173.5153 37 Q 3.8812 6.2979 120.3930 55.7096 30.3129 175.5675 38 K 3.5642 8.0012 124.6299 56.0484 31.9366 175.1931 39 Y 4.3853 8.1815 114.9731 57.6983 37.7292 177.3890 40 S 4.1091 7.5313 115.2117 57.6144 62.1567 168.2035 41 T 4.8692 8.1218 107.6019 60.2116 72.8811 172.8066 42 W 4.7336 8.9448 121.3032 55.3375 29.6121 175.8427 43 E 4.7435 8.6022 125.4567 54.3452 31.0271 174.7947 44 P 4.7375 0.0000 0.0000 62.2142 32.5196 176.8518 45 E 3.5715 8.8753 121.4625 59.6644 29.5848 178.9839 46 E 4.0987 8.2160 116.2255 58.0656 29.7334 176.7189 47 N 4.5877 8.7483 117.3088 54.0775 40.6254 174.0219 48 I 3.6166 7.2534 119.0903 61.9331 36.5278 175.8207 49 L 4.4119 8.3766 124.4785 55.2740 41.8238 177.4601 50 D 4.8380 7.5190 118.0334 54.1749 42.0017 178.5996 51 A 3.8659 8.0763 122.6109 55.8511 17.8695 179.8986 52 R 3.8171 8.0804 115.5851 59.7252 30.0575 178.9762 53 L 3.8731 8.5451 118.6980 57.7577 41.6973 179.1038 54 L 3.7400 7.9789 118.2538 58.1008 41.4741 179.3467 55 A 4.0074 8.3224 120.2819 55.0813 18.0686 179.6154 56 A 3.8671 7.2854 117.7080 55.2397 18.6869 178.9595 57 F 4.0760 8.6439 118.7370 61.8229 39.4159 177.2473 58 E 4.1596 8.6367 116.5084 58.3688 29.7161 173.5854 59 S 3.8954 8.1406 122.4292 57.5524 63.7123 171.3138 60 G 3.8903 7.9303 112.5519 44.6330 0.0000 170.1232 61 P 4.3856 0.0000 0.0000 63.0065 31.5530 174.7295 62 S 4.5070 9.2102 126.2051 58.9813 64.8108 177.4916 63 S 3.5127 8.3552 111.3823 59.1335 60.7921 171.9361 64 G 3.7242 8.2344 115.0247 46.2820 0.0000 171.2763 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 3.63 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 0.00 0.00 0.00 2 S 7.93 3.33 0.00 4.07 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 3 S 7.99 4.46 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.53 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 0.00 0.00 0.00 5 S 7.66 4.40 0.00 3.90 3.83 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 0.00 0.00 0.00 6 S 8.02 4.31 0.00 3.91 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 7 G 8.80 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 0.00 0.00 0.00 0.00 8 E 7.71 3.73 0.00 1.86 1.81 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 2.26 2.21 0.00 9 R 8.11 4.15 0.00 1.57 1.70 0.00 2.99 0.00 0.00 3.01 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 10 V 7.74 4.21 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 0.56 0.00 0.00 0.80 0.00 0.00 11 F 8.34 4.17 0.00 2.90 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 12 A 8.61 4.89 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 13 A 9.21 4.20 1.18 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 14 E 8.12 4.49 0.00 2.00 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 0.00 2.19 2.23 0.00 15 A 7.00 4.92 1.18 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 16 L 8.58 4.93 0.00 1.91 1.90 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 17 L 9.48 4.28 0.00 1.22 1.64 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 4.76 0.00 1.67 1.47 0.00 2.12 0.00 0.00 2.03 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.55 7.81 19 R 8.77 5.24 0.00 1.75 2.01 0.00 2.94 0.00 0.00 2.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.00 20 R 9.80 4.69 0.00 0.67 1.22 0.00 2.93 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.09 0.00 21 I 7.82 4.72 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.30 0.92 0.00 0.00 22 R 8.19 4.06 0.00 1.61 1.87 0.00 3.24 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 23 K 7.37 4.31 0.00 1.62 1.63 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.36 7.81 24 G 8.27 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 0.00 0.00 0.00 25 R 7.86 4.23 0.00 1.88 1.86 0.00 3.12 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 26 M 8.43 4.61 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 27 E 8.82 5.24 0.00 2.01 2.12 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 2.33 2.27 0.00 28 Y 9.04 5.13 0.00 2.82 2.85 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 29 L 9.32 4.02 0.00 1.03 1.16 0.59 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.72 3.39 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.24 0.00 0.00 0.28 0.00 0.00 31 K 8.13 4.18 0.00 1.78 1.78 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.55 7.81 32 W 8.05 5.04 0.00 3.35 3.37 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 33 K 9.17 3.98 0.00 1.89 1.85 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 34 G 9.25 4.17 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 0.00 0.00 0.00 35 W 8.19 4.92 0.00 3.52 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 36 S 8.34 4.54 0.00 3.85 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 37 Q 6.30 3.88 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.02 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 38 K 8.00 3.56 0.00 1.82 1.75 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.56 7.81 39 Y 8.18 4.39 0.00 2.99 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 40 S 7.53 4.11 0.00 3.99 3.80 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 41 T 8.12 4.87 4.48 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 0.00 0.00 0.00 1.46 0.00 0.00 42 W 8.94 4.73 0.00 3.16 3.22 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 0.00 43 E 8.60 4.74 0.00 1.84 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 2.38 2.32 0.00 44 P 0.00 4.74 0.00 2.26 2.22 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 2.10 1.99 0.00 45 E 8.88 3.57 0.00 2.40 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 0.00 2.02 2.49 0.00 46 E 8.22 4.10 0.00 2.02 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 2.32 2.31 0.00 47 N 8.75 4.59 0.00 2.60 2.83 0.00 0.00 7.18 7.77 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 48 I 7.25 3.62 1.83 0.00 0.00 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 1.46 0.78 0.69 0.00 0.00 49 L 8.38 4.41 0.00 1.71 1.75 1.17 1.13 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 50 D 7.52 4.84 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.08 3.87 1.30 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 0.00 0.00 52 R 8.08 3.82 0.00 1.86 2.03 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 53 L 8.55 3.87 0.00 1.83 1.75 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.98 3.74 0.00 1.72 1.65 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.32 4.01 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 56 A 7.29 3.87 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 57 F 8.64 4.08 0.00 3.12 3.12 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 0.00 0.00 0.00 58 E 8.64 4.16 0.00 2.06 2.04 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 2.39 2.47 0.00 59 S 8.14 3.90 0.00 4.08 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 60 G 7.93 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 0.00 0.00 0.00 61 P 0.00 4.39 0.00 2.20 2.10 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 62 S 9.21 4.51 0.00 3.82 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 63 S 8.36 3.51 0.00 4.09 3.91 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 0.00 0.00 0.00 64 G 8.23 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00