NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 P 4.2199 0.0000 0.0000 62.4340 32.2060 175.5867 27 L 4.1209 8.4329 126.4276 53.3038 41.9417 173.8117 28 R 4.6681 8.7797 124.7882 53.7111 35.3841 174.5052 29 V 3.8665 8.2227 118.3871 65.1502 31.4774 176.2138 30 G 3.9772 9.2233 116.1321 45.0965 0.0000 173.9021 31 S 4.1516 7.7992 116.6835 58.9607 64.2056 173.7503 32 R 4.5892 8.3024 123.1655 55.7024 31.1839 175.9421 33 V 5.2912 9.0378 116.5113 59.6353 36.6692 173.9131 34 E 5.0659 9.2563 123.4432 54.2410 32.6055 175.1586 35 V 4.1644 8.9461 127.4606 62.6579 32.4568 175.2038 36 I 3.9465 8.3856 130.5600 60.7788 37.3425 177.3907 37 G 4.1456 8.2695 114.8239 44.1506 0.0000 171.6674 38 K 4.5244 8.3785 118.3303 54.8755 35.2553 177.1855 39 G 3.8754 8.1764 108.5184 45.5705 0.0000 173.5438 40 H 4.2377 7.7305 118.0348 56.5300 29.6301 174.5898 41 R 5.0049 8.6812 122.2183 55.5469 32.4938 175.7633 42 G 4.3021 9.0511 108.4137 46.1750 0.0000 171.3548 43 T 5.0855 8.6433 116.3677 61.2011 71.7290 174.4701 44 V 4.0537 8.7741 127.0597 63.2524 32.0059 175.9415 45 A 4.8490 8.9089 128.7345 51.9574 21.2673 175.5312 46 Y 4.6767 7.5226 115.9175 56.5113 42.5379 173.2558 47 V 4.7190 9.2058 126.4941 60.5754 34.0200 175.5354 48 G 3.8357 8.4115 115.7081 44.9537 0.0000 171.1966 49 A 4.7396 8.3578 121.8963 51.9619 18.8690 176.6789 50 T 4.8054 7.8490 108.9439 59.6129 71.9186 174.1065 51 L 4.1488 8.4794 121.4069 56.8718 41.7709 178.7154 52 F 4.3914 6.5438 111.8218 58.2130 38.4274 175.4960 53 A 4.4664 6.6359 120.7861 51.3988 21.4029 175.8708 54 T 4.1371 8.4719 111.6064 61.5867 69.7841 174.7225 55 G 3.8165 8.5880 107.0682 44.4870 0.0000 172.3018 56 K 4.2915 7.9063 120.3488 55.8898 32.8100 176.0240 57 W 5.1016 9.2727 126.7129 54.8836 33.2808 174.4748 58 V 4.9475 9.5259 122.8978 61.1962 33.5579 174.7255 59 G 3.6633 9.5522 116.6441 45.5296 0.0000 172.3537 60 V 4.6067 8.2205 124.5250 60.8767 34.9864 174.3987 61 I 4.4318 8.4863 129.2226 60.1116 37.9547 175.2842 62 L 4.5503 9.0591 128.5804 54.4140 41.7735 177.4595 63 D 4.5329 9.1167 123.5620 56.9611 41.0533 177.0929 64 E 4.6314 7.7466 115.6149 54.2446 32.3182 176.4768 65 A 4.0956 8.0943 124.0516 52.5014 16.3120 177.9197 66 K 4.4908 7.6050 116.1722 55.4096 33.8121 177.3938 67 G 4.4452 8.4392 109.4640 45.2448 0.0000 173.7251 68 K 4.8694 9.4370 117.8968 55.8471 34.7884 175.5382 69 N 5.0018 7.9083 116.4532 51.5195 41.3081 174.3762 70 D 4.9901 8.8174 116.4746 53.4579 40.5294 177.8270 71 G 2.7714 8.6646 109.1318 46.1376 0.0000 173.6584 72 T 4.9329 7.9048 117.1385 61.6320 70.4235 173.6624 73 V 4.5100 8.6026 125.5101 62.2445 34.0189 175.3541 74 Q 3.4657 9.8839 126.2681 57.0922 26.2435 174.8012 75 G 3.8426 8.4574 103.1822 45.4246 0.0000 173.5781 76 R 4.2534 7.7672 120.8607 53.8330 31.3490 174.9586 77 K 4.2967 8.2049 126.3062 55.6103 32.8207 175.4677 78 Y 4.3107 8.7346 124.4608 59.0136 39.8493 175.1849 79 F 5.0158 7.3253 112.4041 56.2137 40.7296 172.1798 80 T 5.0252 8.5614 116.6940 62.0169 71.0594 173.4643 81 C 4.7829 8.5603 120.0073 57.0494 33.3804 173.2876 82 D 4.5970 8.5750 118.2477 53.8359 41.6290 176.2410 83 E 3.9865 8.7688 122.2131 57.7011 30.2680 177.1987 84 G 3.9311 8.8393 111.9958 46.4933 0.0000 174.0830 85 H 4.1661 8.1408 116.6370 55.6535 30.9529 174.7459 86 G 4.6481 8.4146 107.1406 44.9454 0.0000 173.1207 87 I 5.1623 8.5658 116.2609 58.9519 41.6789 173.8669 88 F 5.4549 8.8591 121.5912 56.0907 41.4276 175.0004 89 V 5.0699 9.3302 115.9638 59.4497 36.5334 175.4220 90 R 4.1928 9.1392 120.9881 55.7508 30.5427 178.4559 91 Q 4.0148 8.5029 118.6622 59.1405 28.7809 178.1441 92 S 4.3368 7.9792 110.9630 59.7166 63.4795 174.1772 93 Q 4.6577 8.2533 120.4639 55.9759 29.7046 175.0302 94 I 5.1216 7.6024 112.3608 58.9872 41.0534 174.6116 95 Q 4.6355 8.9180 124.4939 54.0974 32.0732 174.5624 96 V 4.3499 8.6199 126.9635 62.7177 32.4031 175.7232 97 F 4.5780 8.4514 122.2473 57.0021 37.8085 174.7210 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 26 P 0.00 4.22 0.00 2.15 2.13 0.00 3.43 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 27 L 8.43 4.12 0.00 1.69 1.63 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.78 4.67 0.00 1.81 1.72 0.00 3.18 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 29 V 8.22 3.87 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 0.77 0.00 0.00 0.92 0.00 0.00 30 G 9.22 3.98 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 0.00 0.00 0.00 31 S 7.80 4.15 0.00 3.88 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 32 R 8.30 4.59 0.00 1.11 0.91 0.00 3.30 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.36 0.00 33 V 9.04 5.29 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 0.73 0.00 0.00 1.01 0.00 0.00 34 E 9.26 5.07 0.00 1.83 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 2.12 2.26 0.00 35 V 8.95 4.16 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 0.99 0.00 0.00 1.03 0.00 0.00 36 I 8.39 3.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.91 0.00 0.00 37 G 8.27 4.15 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 0.00 38 K 8.38 4.52 0.00 1.64 1.30 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.45 7.81 39 G 8.18 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 40 H 7.73 4.24 0.00 3.12 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.68 5.00 0.00 1.78 2.00 0.00 3.01 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.56 0.00 42 G 9.05 4.30 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 0.00 43 T 8.64 5.09 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 1.17 0.00 0.00 44 V 8.77 4.05 2.19 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 0.71 0.00 0.00 0.94 0.00 0.00 45 A 8.91 4.85 0.70 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 0.00 0.00 46 Y 7.52 4.68 0.00 3.39 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 47 V 9.21 4.72 1.97 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 0.83 0.00 0.00 0.90 0.00 0.00 48 G 8.41 3.84 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 0.00 0.00 0.00 49 A 8.36 4.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 4.81 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 0.63 0.00 0.00 51 L 8.48 4.15 0.00 1.74 1.78 0.91 0.74 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 52 F 6.54 4.39 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 6.64 4.47 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.14 4.27 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 1.24 0.00 0.00 55 G 8.59 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 56 K 7.91 4.29 0.00 1.71 1.60 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 57 W 9.27 5.10 0.00 3.58 3.45 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 0.00 58 V 9.53 4.95 2.20 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 1.13 0.00 0.00 0.99 0.00 0.00 59 G 9.55 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.22 4.61 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 1.00 0.00 0.00 0.90 0.00 0.00 61 I 8.49 4.43 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.14 0.98 0.00 0.00 62 L 9.06 4.55 0.00 1.69 1.60 0.93 1.33 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 63 D 9.12 4.53 0.00 2.68 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 64 E 7.75 4.63 0.00 1.88 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 2.23 2.28 0.00 65 A 8.09 4.10 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 66 K 7.61 4.49 0.00 1.48 1.51 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.27 7.81 67 G 8.44 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 0.00 0.00 0.00 0.00 68 K 9.44 4.87 0.00 1.54 1.75 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 69 N 7.91 5.00 0.00 2.72 2.86 0.00 0.00 5.78 8.07 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 70 D 8.82 4.99 0.00 2.82 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 71 G 8.66 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 0.00 0.00 0.00 72 T 7.90 4.93 4.33 0.00 0.00 0.00 0.00 0.00 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 73 V 8.60 4.51 2.15 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 0.61 0.00 0.00 0.79 0.00 0.00 74 Q 9.88 3.47 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 75 G 8.46 3.84 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 0.00 0.00 0.00 76 R 7.77 4.25 0.00 1.69 1.48 0.00 2.92 0.00 0.00 2.68 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.21 0.00 77 K 8.20 4.30 0.00 1.66 1.59 0.00 1.59 0.00 0.00 2.36 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 78 Y 8.73 4.31 0.00 3.31 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 7.33 5.02 0.00 3.21 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.56 5.03 4.31 0.00 0.00 0.00 0.00 0.00 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 81 C 8.56 4.78 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.58 4.60 0.00 2.51 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.77 3.99 0.00 1.90 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 2.29 2.37 0.00 84 G 8.84 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 85 H 8.14 4.17 0.00 3.29 3.39 0.00 5.61 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 86 G 8.41 4.65 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 87 I 8.57 5.16 1.93 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 1.24 0.67 0.94 0.00 0.00 88 F 8.86 5.45 0.00 2.66 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.33 5.07 2.32 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 0.86 0.00 0.00 1.11 0.00 0.00 90 R 9.14 4.19 0.00 1.89 1.70 0.00 3.02 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.35 0.00 91 Q 8.50 4.01 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 92 S 7.98 4.34 0.00 3.98 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 93 Q 8.25 4.66 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 94 I 7.60 5.12 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.96 0.00 0.00 95 Q 8.92 4.64 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 96 V 8.62 4.35 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 0.80 0.00 0.00 0.91 0.00 0.00 97 F 8.45 4.58 0.00 3.15 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