NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3945 0.0000 0.0000 62.2036 31.6621 174.9516 10 G 4.0257 7.8842 110.1383 42.3498 0.0000 169.0073 11 L 4.0628 8.2835 121.1919 53.8472 43.2430 175.6222 12 Q 4.0035 8.3810 122.9944 56.0686 29.5739 176.2206 13 I 3.9321 8.2746 125.4616 61.6420 37.5300 174.9809 14 Y 5.1079 9.5484 124.0671 55.5206 40.1641 175.6359 15 P 4.5535 0.0000 0.0000 64.2672 29.2935 177.7630 16 Y 3.7299 7.7085 117.6927 59.3374 40.2780 171.7688 17 E 3.7471 8.1454 118.5765 59.7133 30.1913 179.7507 18 M 3.8034 7.6183 117.4505 57.2109 32.0654 176.9801 19 L 4.5931 9.5886 115.6396 54.6392 44.5239 177.6956 20 V 3.4956 6.3686 118.9962 62.0167 28.7845 175.6072 21 V 3.5006 7.4306 119.5530 63.9700 32.3525 176.2623 22 T 4.5774 8.7655 124.9298 60.1348 68.8787 174.4283 23 N 5.1663 8.5018 135.0000 59.0188 41.9638 175.0345 24 K 4.1647 7.7846 121.9920 54.3271 36.8426 174.9297 25 G 3.7547 8.9425 118.0264 44.8139 0.0000 173.7562 26 R 4.1672 8.4976 127.1754 56.7020 28.6648 176.2934 27 T 4.0726 7.3996 112.5507 61.9093 68.7083 172.8740 28 K 4.5629 8.1570 124.2420 54.5668 33.8476 176.8309 29 L 4.3094 8.2115 122.8252 53.2826 42.5688 175.0395 30 P 4.2199 0.0000 0.0000 62.3418 31.6811 174.5654 31 P 4.3739 0.0000 0.0000 62.0139 30.1780 176.0235 32 G 4.3796 8.2974 114.9398 46.3928 0.0000 170.9308 33 V 4.6216 7.4663 117.3786 61.1293 35.0953 174.5536 34 D 4.7380 8.4047 123.7672 51.9729 41.0032 176.1266 35 R 3.7326 8.0348 121.8994 60.7587 30.6869 177.7855 36 M 4.1708 7.9047 121.4879 57.0291 33.0577 176.6044 37 R 5.2865 7.9038 117.5809 54.0811 30.3320 175.1628 38 L 4.4245 7.7985 120.5758 57.2507 43.0858 179.6728 39 E 4.3799 8.5047 116.6554 59.5236 29.2986 178.8654 40 R 4.1115 8.9175 117.6369 57.9374 29.5174 176.6788 41 H 4.4964 8.5073 115.7715 56.5182 30.1784 175.3100 42 L 4.2682 7.7282 119.9282 54.7637 41.5623 177.9813 43 S 4.4195 8.6645 119.3691 57.9602 65.0214 175.0246 44 A 4.0941 8.5616 124.7389 55.6681 17.6776 179.7790 45 E 4.0819 8.2166 115.9392 58.6457 29.6207 178.5134 46 D 4.2233 7.7645 118.4686 56.1740 41.5467 178.3615 47 F 3.9539 9.2795 121.9439 61.5629 39.5609 177.5403 48 S 4.5452 8.2589 115.8473 60.7534 62.3587 176.2408 49 R 4.1943 7.1730 118.7669 57.0455 30.3342 178.4218 50 V 3.3502 7.5503 117.8808 64.3279 31.7867 176.5458 51 F 4.3974 7.8450 114.0574 56.0012 39.2479 175.1444 52 A 4.5048 7.6712 121.1940 51.7895 16.1987 177.0433 53 M 4.9752 7.5738 116.3035 54.6950 35.8946 175.0811 54 S 4.7844 8.9030 115.8978 57.9716 63.4661 174.1185 55 P 2.9700 0.0000 0.0000 64.6631 31.8603 178.1184 56 E 3.8440 8.2416 116.9194 59.6566 29.4615 178.7435 57 E 3.9284 9.4610 120.3320 59.1135 29.4772 179.5289 58 F 4.2067 7.9394 119.3729 60.9550 39.4312 177.4080 59 G 3.7577 8.0925 103.2899 46.3257 0.0000 173.7209 60 K 4.4408 7.2116 117.7477 56.1553 34.5220 176.7902 61 L 3.9234 7.3137 117.7478 54.4108 42.1357 174.5362 62 A 4.5895 7.1617 121.8446 51.0361 21.6972 177.0334 63 L 3.9403 8.1165 115.4410 57.1398 41.6577 179.0267 64 W 4.3394 7.7480 117.2199 58.9415 28.6409 178.1710 65 K 3.6768 5.8083 119.8634 59.3058 31.5266 178.9151 66 R 3.1894 6.9220 118.5775 58.7828 29.8251 178.8438 67 N 4.3371 7.7925 115.7267 56.4257 38.4334 177.3847 68 E 4.2558 8.9394 118.8063 58.4590 29.6573 178.7751 69 L 4.5505 7.8070 119.2195 56.9579 42.4344 178.6572 70 K 4.1608 8.8435 119.1322 60.6241 31.1619 179.0663 71 K 4.4517 8.6179 119.0984 58.9343 31.7177 179.3367 72 K 4.2462 8.9962 118.5262 58.2024 32.0555 178.0627 73 A 4.3387 7.4995 116.0512 51.2545 19.9852 177.5076 74 S 4.2888 8.5171 110.8134 58.4508 61.7079 169.6529 75 L 4.3458 8.0007 117.5872 56.2426 41.7689 176.5952 76 F 4.1075 8.6099 126.1506 58.7047 39.1906 174.5734 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 9 P 0.00 4.39 0.00 2.04 2.09 0.00 3.56 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 1.91 2.07 0.00 10 G 7.88 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 0.00 0.00 0.00 0.00 11 L 8.28 4.06 0.00 1.16 1.48 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.38 4.00 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 13 I 8.27 3.93 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 1.05 0.00 0.00 14 Y 9.55 5.11 0.00 2.99 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 15 P 0.00 4.55 0.00 2.27 2.31 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 16 Y 7.71 3.73 0.00 3.20 2.90 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 0.00 0.00 0.00 17 E 8.15 3.75 0.00 2.05 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 2.53 2.69 0.00 18 M 7.62 3.80 0.00 1.86 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 19 L 9.59 4.59 0.00 1.66 1.68 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 V 6.37 3.50 1.69 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 0.54 0.00 0.00 -1.12 0.00 0.00 21 V 7.43 3.50 2.05 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 0.79 0.00 0.00 0.96 0.00 0.00 22 T 8.77 4.58 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 1.19 0.00 0.00 23 N 8.50 5.17 0.00 2.73 2.77 0.00 0.00 7.48 6.68 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 24 K 7.78 4.16 0.00 1.98 1.58 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 25 G 8.94 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 26 R 8.50 4.17 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 27 T 7.40 4.07 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 1.31 0.00 0.00 28 K 8.16 4.56 0.00 1.76 1.70 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.43 7.81 29 L 8.21 4.31 0.00 1.66 1.63 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.22 0.00 2.04 1.44 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 31 P 0.00 4.37 0.00 2.07 2.07 0.00 3.58 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 2.02 2.09 0.00 32 G 8.30 4.38 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 0.00 0.00 0.00 33 V 7.47 4.62 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 0.85 0.00 0.00 1.11 0.00 0.00 34 D 8.40 4.74 0.00 2.67 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 35 R 8.03 3.73 0.00 1.88 1.96 0.00 3.34 0.00 0.00 3.29 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 36 M 7.90 4.17 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 37 R 7.90 5.29 0.00 1.77 1.78 0.00 3.18 0.00 0.00 3.02 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.98 0.00 38 L 7.80 4.42 0.00 2.12 1.85 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.50 4.38 0.00 2.39 2.41 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 2.74 2.59 0.00 40 R 8.92 4.11 0.00 1.68 1.88 0.00 3.24 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 41 H 8.51 4.50 0.00 3.28 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.73 4.27 0.00 2.09 1.82 0.67 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.66 4.42 0.00 4.04 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 44 A 8.56 4.09 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 45 E 8.22 4.08 0.00 2.04 2.01 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 2.40 2.41 0.00 46 D 7.76 4.22 0.00 3.03 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.28 3.95 0.00 2.95 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 48 S 8.26 4.55 0.00 4.22 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 49 R 7.17 4.19 0.00 1.82 1.85 0.00 3.09 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 50 V 7.55 3.35 1.45 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 -1.26 0.00 0.00 -0.04 0.00 0.00 51 F 7.85 4.40 0.00 2.00 2.52 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 0.00 0.00 0.00 0.00 52 A 7.67 4.50 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.57 4.98 0.00 2.40 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 54 S 8.90 4.78 0.00 4.33 4.05 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 55 P 0.00 2.97 0.00 1.89 1.82 0.00 3.89 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 56 E 8.24 3.84 0.00 2.14 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 0.00 2.41 2.38 0.00 57 E 9.46 3.93 0.00 2.39 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 58 F 7.94 4.21 0.00 2.68 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 59 G 8.09 3.76 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 0.00 0.00 0.00 60 K 7.21 4.44 0.00 1.90 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.31 7.81 61 L 7.31 3.92 0.00 1.30 1.10 1.00 0.57 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 62 A 7.16 4.59 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.94 0.00 1.68 1.74 0.81 0.70 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 64 W 7.75 4.34 0.00 3.67 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 5.81 3.68 0.00 1.45 0.74 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.74 7.81 66 R 6.92 3.19 0.00 1.52 1.49 0.00 2.21 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 67 N 7.79 4.34 0.00 3.17 3.26 0.00 0.00 7.21 7.76 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 68 E 8.94 4.26 0.00 2.15 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 0.00 2.58 2.80 0.00 69 L 7.81 4.55 0.00 2.07 1.65 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.84 4.16 0.00 2.11 2.46 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 2.00 1.92 7.81 71 K 8.62 4.45 0.00 2.30 2.01 0.00 1.48 0.00 0.00 0.94 0.00 0.00 3.34 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.49 7.81 72 K 9.00 4.25 0.00 2.03 1.92 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.51 7.81 73 A 7.50 4.34 0.82 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 74 S 8.52 4.29 0.00 4.07 4.16 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 75 L 8.00 4.35 0.00 1.96 1.91 1.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.61 4.11 0.00 3.17 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