NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4265 8.4798 116.6519 55.1426 30.9815 175.1578 2 P 4.1488 0.0000 0.0000 61.9195 32.1468 175.6970 3 D 4.3896 8.4938 119.8805 57.5426 41.5371 180.3175 4 F 4.3308 8.0143 114.4747 59.8549 37.6016 177.6928 5 C 4.7430 7.7536 115.9590 58.8485 40.0345 174.6706 6 L 4.3194 7.8455 119.3501 54.2836 42.0746 176.7329 7 E 4.2773 7.4589 118.9836 54.9739 30.1532 175.0907 8 P 4.3947 0.0000 0.0000 61.6971 32.0570 174.5271 9 P 3.7068 0.0000 0.0000 62.6908 31.4573 175.5697 10 Y 4.4515 7.7525 120.5816 55.5436 39.9374 174.9202 11 A 4.1807 8.3670 131.8413 53.1659 18.8382 178.6910 12 G 3.7710 6.5326 103.5336 44.6187 0.0000 172.7289 13 A 4.2057 8.1961 119.5427 53.2595 19.3329 178.5106 14 C 4.5490 7.7944 113.5179 56.9535 41.0231 174.0346 15 R 4.3349 8.1042 117.2716 55.9623 30.5078 176.5087 16 A 4.1536 7.7241 121.3656 51.9294 20.0109 177.0975 17 R 4.3175 8.3822 119.1447 54.3641 31.4014 173.3294 18 I 4.4821 8.4272 125.7320 59.0020 40.0434 174.7090 19 I 4.3659 8.3653 128.5399 61.0026 37.8373 175.4237 20 R 4.9126 8.5354 125.1034 54.6247 34.8232 173.5870 21 Y 5.5603 9.3617 117.5033 56.5073 41.1159 175.3785 22 F 5.7716 9.4554 116.9695 55.3232 42.1191 172.9700 23 Y 4.5328 9.9838 122.7719 57.3708 40.0526 173.6351 24 N 4.8391 8.2085 126.4781 51.9893 39.3975 175.3145 25 A 3.6443 8.4986 130.5147 54.5652 19.1946 178.5216 26 K 4.0131 8.1627 116.0790 59.5643 32.3971 177.9992 27 A 3.9773 8.3505 120.5805 52.9478 18.4070 177.7289 28 G 3.9748 8.3825 103.6917 45.5447 0.0000 172.8094 29 L 4.4877 6.8710 118.4022 55.1015 43.8897 173.5264 30 C 5.1507 8.6637 116.3236 55.8118 41.5879 173.6452 31 Q 4.9208 8.4845 121.9472 54.0195 32.4424 174.8860 32 T 4.7453 8.3710 110.9061 61.5122 70.4166 173.5941 33 F 5.0269 9.1158 117.3878 55.8705 42.1924 173.0391 34 V 4.2950 8.4181 119.6579 61.9183 32.2850 174.1275 35 Y 4.7429 8.7042 130.4201 56.1731 40.5497 176.1386 36 G 3.9525 8.0385 112.4911 45.7251 0.0000 175.1771 37 G 3.8192 6.3981 108.3035 44.9619 0.0000 174.1156 38 C 5.0408 6.6654 115.0605 56.2248 44.1128 173.3327 39 R 3.8897 8.9140 118.1514 56.8716 26.9403 176.7098 40 A 4.0912 8.4955 119.3435 52.8491 18.7464 178.5697 41 K 4.3357 8.2647 121.0473 54.9101 34.1161 177.0030 42 R 3.5508 7.9925 117.8104 58.9209 30.4381 177.6029 43 N 4.8118 7.7916 117.5752 51.2764 37.3365 174.5143 44 N 4.9673 6.4976 115.2153 53.2319 41.0286 173.0682 45 F 5.0576 9.3625 124.8217 55.6094 42.5629 176.5555 46 K 4.3803 8.8631 121.3851 58.0448 32.6960 177.7295 47 S 4.4142 7.7343 112.8196 55.4766 66.9769 174.5576 48 A 3.3599 7.2374 124.8902 55.0781 18.0075 179.7283 49 E 3.7305 7.8095 117.1273 59.6105 29.7959 178.6931 50 D 4.2795 8.0257 118.8290 57.2649 40.7718 177.8718 51 C 2.4500 7.6695 118.8991 59.1513 43.7257 175.7921 52 L 3.7327 7.8893 120.7840 57.5411 40.9317 179.3659 53 R 3.7744 7.9152 118.3154 59.7177 30.0468 178.4798 54 T 4.0581 7.5488 114.3947 65.9903 68.7245 175.4246 55 C 4.5666 7.8002 114.8956 56.5150 41.6122 175.4186 56 G 3.3354 8.0327 110.0274 47.6805 0.0000 173.8463 57 G 3.9355 7.5118 105.8929 43.8897 0.0000 172.3200 58 A 4.0065 8.5361 120.9609 52.5008 18.7893 176.9025 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 R 8.48 4.43 0.00 1.62 1.86 0.00 2.62 0.00 0.00 2.76 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 2 P 0.00 4.15 0.00 1.72 1.96 0.00 3.46 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.50 0.00 3 D 8.49 4.39 0.00 2.73 2.80 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 4 F 8.01 4.33 0.00 3.18 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 5 C 7.75 4.74 0.00 2.99 3.19 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 0.00 0.00 0.00 0.00 6 L 7.85 4.32 0.00 1.75 1.77 0.95 1.11 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 7 E 7.46 4.28 0.00 2.10 1.90 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 2.53 2.46 0.00 8 P 0.00 4.39 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.71 0.00 0.68 0.49 0.00 3.31 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 10 Y 7.75 4.45 0.00 2.80 2.92 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 11 A 8.37 4.18 1.34 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 0.00 0.00 0.00 12 G 6.53 3.77 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 0.00 0.00 0.00 13 A 8.20 4.21 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 14 C 7.79 4.55 0.00 2.91 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 15 R 8.10 4.33 0.00 1.72 1.88 0.00 3.17 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 16 A 7.72 4.15 1.17 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 17 R 8.38 4.32 0.00 1.73 1.77 0.00 3.16 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.43 4.48 2.02 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 1.21 0.49 0.98 0.00 0.00 19 I 8.37 4.37 1.83 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 0.70 0.74 0.00 0.00 20 R 8.54 4.91 0.00 0.87 1.93 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 21 Y 9.36 5.56 0.00 3.20 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 22 F 9.46 5.77 0.00 3.23 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 23 Y 9.98 4.53 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 24 N 8.21 4.84 0.00 2.39 2.43 0.00 0.00 6.68 8.23 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 25 A 8.50 3.64 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.01 0.00 1.72 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 8.35 3.98 1.22 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 28 G 8.38 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 29 L 6.87 4.49 0.00 1.71 1.75 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 5.15 0.00 2.91 3.20 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 0.00 31 Q 8.48 4.92 0.00 1.33 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 32 T 8.37 4.75 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 0.76 0.00 0.00 33 F 9.12 5.03 0.00 3.02 3.16 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 0.00 34 V 8.42 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.70 4.74 0.00 2.52 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 36 G 8.04 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 0.00 0.00 0.00 37 G 6.40 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 38 C 6.67 5.04 0.00 2.92 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 39 R 8.91 3.89 0.00 2.18 2.32 0.00 3.33 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 40 A 8.50 4.09 0.97 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 41 K 8.26 4.34 0.00 1.70 1.65 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.12 1.10 7.81 42 R 7.99 3.55 0.00 0.86 0.66 0.00 2.37 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.22 0.00 43 N 7.79 4.81 0.00 3.17 2.89 0.00 0.00 6.71 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 44 N 6.50 4.97 0.00 2.73 2.65 0.00 0.00 7.08 7.02 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 45 F 9.36 5.06 0.00 3.26 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 46 K 8.86 4.38 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.73 4.41 0.00 3.83 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 48 A 7.24 3.36 0.96 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 0.00 0.00 49 E 7.81 3.73 0.00 1.95 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 2.31 2.33 0.00 50 D 8.03 4.28 0.00 2.78 2.83 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 51 C 7.67 2.45 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 3.73 0.00 1.59 1.61 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.92 3.77 0.00 1.75 2.07 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.55 4.06 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 1.47 0.00 0.00 55 C 7.80 4.57 0.00 2.51 1.96 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 56 G 8.03 3.34 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 0.00 0.00 0.00 0.00 57 G 7.51 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 0.00 0.00 0.00 58 A 8.54 4.01 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