NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4490 8.1749 110.9504 61.7587 69.6570 174.8802 2 E 4.6155 9.1067 113.6470 55.8065 30.3355 175.3253 3 F 4.4924 8.4981 117.6439 56.7117 42.6901 177.0784 4 G 3.9415 8.5000 106.1755 44.5801 0.0000 175.3445 5 S 3.5835 8.5870 115.2958 58.7192 62.2846 174.1908 6 E 4.5219 9.1802 108.2885 55.9111 33.4686 172.6376 7 L 3.3176 8.4444 125.2550 54.4408 38.5606 174.2453 8 K 3.9610 8.0240 122.8348 55.9549 31.5007 177.3313 9 S 4.7274 8.0790 118.6825 57.2570 64.5609 174.5628 10 F 5.1258 8.1701 119.3736 54.8672 39.3317 174.3788 11 P 4.2849 0.0000 0.0000 65.4400 31.6026 178.6534 12 E 3.8686 8.3093 117.1729 58.6936 29.8310 177.2102 13 V 3.9381 7.0764 119.3891 62.1765 31.0975 176.7827 14 V 4.2310 7.9072 119.0367 63.9322 33.5005 173.5936 15 G 3.7478 8.1686 117.0380 45.7170 0.0000 173.8477 16 K 4.2119 7.9540 119.9960 56.0525 33.0808 176.2784 17 T 4.6464 7.9052 111.2436 60.5212 71.6732 175.6467 18 V 2.7864 7.5375 121.3517 66.3076 30.8822 177.8167 19 D 4.2231 7.7787 117.8297 56.6009 38.7743 178.4730 20 Q 3.9388 7.5019 118.0524 58.7016 28.3541 178.1548 21 A 4.1395 7.9944 119.7276 53.0001 17.9405 179.2067 22 R 4.1846 7.5495 118.3366 59.4854 30.3973 178.2529 23 E 4.1108 7.9168 117.5015 58.8337 29.4639 178.7106 24 Y 3.6794 7.7070 120.0613 60.7945 38.9575 178.0473 25 F 4.9848 8.1185 117.4747 60.6670 38.7698 177.8982 26 T 4.1239 7.6284 114.5974 65.9746 68.2981 176.4166 27 L 4.1788 7.5984 120.0786 57.5112 42.1158 178.4603 28 H 4.2890 7.7306 114.5361 57.0882 30.4080 175.6476 29 Y 5.2468 7.8288 117.4373 54.7256 37.4788 174.3360 30 P 4.6819 0.0000 0.0000 63.6634 32.3599 177.7052 31 Q 4.7175 8.1541 116.8553 56.0739 28.9296 173.6937 32 Y 4.9590 7.9757 115.6634 57.0839 40.5075 175.8870 33 D 4.5760 8.6541 125.3178 53.4424 40.5310 175.8919 34 V 4.0348 7.8101 122.4856 62.2614 32.9147 174.2481 35 Y 4.6813 8.3967 122.2176 56.3390 42.2441 175.1348 36 F 5.4899 8.9434 119.4498 56.2769 41.7911 173.7157 37 L 5.2985 9.0874 122.9365 51.9048 46.1888 174.6289 38 P 4.6217 0.0000 0.0000 61.4726 32.5304 176.2398 39 E 3.4742 8.5290 119.7256 57.4821 29.8622 177.5959 40 G 3.7360 8.1422 106.8765 46.1564 0.0000 174.6945 41 S 4.2181 7.4838 114.3116 59.9297 62.7476 173.0283 42 P 4.5120 0.0000 0.0000 62.3638 32.2494 176.0795 43 V 4.5264 7.7051 119.4205 60.5674 33.3191 175.9300 44 T 4.2008 8.3483 110.8339 61.7428 67.7433 173.6530 45 L 4.5980 8.0070 128.8470 52.8174 41.9087 176.0783 46 D 4.6546 7.8894 121.4978 52.4474 42.3967 176.0858 47 L 3.4807 8.4119 116.6945 56.5692 39.9997 175.9767 48 R 4.3729 7.6282 115.4384 54.7268 32.5658 175.2549 49 Y 4.4807 8.5082 122.0215 59.9011 38.6396 176.4597 50 N 4.2074 8.0205 115.3800 52.5500 39.8300 174.4365 51 R 4.8543 7.6913 121.2485 54.6331 32.3157 174.5260 52 V 4.3474 8.0487 126.5562 61.0409 34.4152 174.5175 53 R 4.7388 7.9026 126.2573 54.6379 31.5337 175.4601 54 V 3.8523 8.3766 124.9442 61.2697 33.8342 174.5633 55 F 6.2874 8.6531 123.4393 55.1018 41.7614 173.8325 56 Y 5.0780 8.5471 119.4186 55.3499 42.5285 173.0552 57 N 4.9937 9.3495 119.3354 51.4469 40.4902 173.6275 58 P 4.8267 0.0000 0.0000 63.6621 31.7805 177.6293 59 G 3.7109 8.0490 108.7583 48.6632 0.0000 175.3849 60 T 4.5492 7.5038 112.3712 60.3977 68.2256 172.9646 61 N 4.4454 8.0435 114.5118 53.8887 37.0699 173.8957 62 V 4.2899 7.6121 115.1986 60.9377 34.1513 174.6581 63 V 4.4746 8.6736 126.8008 62.1496 30.8193 175.8952 64 N 4.7263 8.6099 124.8215 53.2896 38.6588 174.7666 65 H 4.8051 7.8867 116.2680 54.0377 30.0411 174.8226 66 V 3.7328 8.4481 124.4148 62.1723 31.8158 173.5880 67 P 4.3898 0.0000 0.0000 62.9804 32.2413 175.0022 68 H 5.1578 7.9709 117.0684 53.8243 32.5697 172.0891 69 V 3.9037 8.1039 119.6373 62.8663 32.5046 176.3056 70 G 4.3640 7.9852 114.0162 46.2756 0.0000 173.2197 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 T 8.17 4.45 4.39 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 1.29 0.00 0.00 2 E 9.11 4.62 0.00 1.72 1.79 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 2.19 2.32 0.00 3 F 8.50 4.49 0.00 2.98 2.97 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 4 G 8.50 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 5 S 8.59 3.58 0.00 3.97 3.38 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 6 E 9.18 4.52 0.00 1.93 1.76 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 2.22 2.31 0.00 7 L 8.44 3.32 0.00 1.69 1.60 0.87 0.81 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 8 K 8.02 3.96 0.00 1.62 1.54 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.34 7.81 9 S 8.08 4.73 0.00 3.96 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 10 F 8.17 5.13 0.00 3.24 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 11 P 0.00 4.28 0.00 2.23 2.14 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 12 E 8.31 3.87 0.00 1.96 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 0.00 2.29 2.30 0.00 13 V 7.08 3.94 2.18 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 0.43 0.00 0.00 0.44 0.00 0.00 14 V 7.91 4.23 2.27 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 0.87 0.00 0.00 1.07 0.00 0.00 15 G 8.17 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 16 K 7.95 4.21 0.00 1.72 1.64 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 17 T 7.91 4.65 4.32 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 1.17 0.00 0.00 18 V 7.54 2.79 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 0.23 0.00 0.00 0.14 0.00 0.00 19 D 7.78 4.22 0.00 2.89 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 20 Q 7.50 3.94 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 21 A 7.99 4.14 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 22 R 7.55 4.18 0.00 1.92 2.01 0.00 3.01 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 23 E 7.92 4.11 0.00 2.11 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 2.31 2.35 0.00 24 Y 7.71 3.68 0.00 3.01 2.81 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 0.00 0.00 0.00 25 F 8.12 4.98 0.00 3.44 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 26 T 7.63 4.12 4.50 0.00 0.00 0.00 0.00 0.00 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 27 L 7.60 4.18 0.00 1.46 1.47 0.81 1.05 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 28 H 7.73 4.29 0.00 2.63 2.33 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.83 5.25 0.00 3.19 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.68 0.00 2.19 2.19 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 31 Q 8.15 4.72 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 32 Y 7.98 4.96 0.00 3.03 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 33 D 8.65 4.58 0.00 2.68 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 34 V 7.81 4.03 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 0.26 0.00 0.00 -0.25 0.00 0.00 35 Y 8.40 4.68 0.00 2.97 2.79 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 36 F 8.94 5.49 0.00 2.98 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 37 L 9.09 5.30 0.00 1.66 1.60 1.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.62 0.00 1.92 1.68 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 39 E 8.53 3.47 0.00 1.83 1.72 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 2.27 2.23 0.00 40 G 8.14 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.48 4.22 0.00 3.93 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 42 P 0.00 4.51 0.00 2.25 2.08 0.00 3.37 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.01 0.00 43 V 7.71 4.53 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 0.77 0.00 0.00 0.89 0.00 0.00 44 T 8.35 4.20 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 45 L 8.01 4.60 0.00 1.63 1.53 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.89 4.65 0.00 2.75 2.70 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 47 L 8.41 3.48 0.00 1.72 1.66 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.63 4.37 0.00 1.73 1.87 0.00 3.35 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 49 Y 8.51 4.48 0.00 2.84 2.91 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 50 N 8.02 4.21 0.00 2.68 3.03 0.00 0.00 5.78 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 51 R 7.69 4.85 0.00 1.87 1.75 0.00 3.03 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 52 V 8.05 4.35 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.66 0.00 0.00 53 R 7.90 4.74 0.00 1.58 1.95 0.00 3.07 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 54 V 8.38 3.85 1.71 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 1.22 0.00 0.00 0.77 0.00 0.00 55 F 8.65 6.29 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.55 5.08 0.00 3.08 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 57 N 9.35 4.99 0.00 2.80 2.78 0.00 0.00 7.38 7.52 0.00 0.00 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 P 0.00 4.83 0.00 2.26 2.19 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 59 G 8.05 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 0.00 0.00 0.00 60 T 7.50 4.55 4.26 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 1.23 0.00 0.00 61 N 8.04 4.45 0.00 2.99 2.72 0.00 0.00 6.51 7.16 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 62 V 7.61 4.29 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 1.06 0.00 0.00 1.00 0.00 0.00 63 V 8.67 4.47 2.26 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 1.20 0.00 0.00 1.09 0.00 0.00 64 N 8.61 4.73 0.00 2.81 2.89 0.00 0.00 6.26 7.90 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 65 H 7.89 4.81 0.00 3.40 3.49 0.00 5.90 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 66 V 8.45 3.73 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 0.92 0.00 0.00 0.99 0.00 0.00 67 P 0.00 4.39 0.00 2.36 2.17 0.00 3.96 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 68 H 7.97 5.16 0.00 3.12 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.10 3.90 1.99 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 0.71 0.00 0.00 0.82 0.00 0.00 70 G 7.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00