NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8727 8.3393 109.7363 45.1263 0.0000 172.5524 2 S 4.0725 8.5281 114.6967 57.2478 63.0185 171.8182 3 S 4.5308 8.7906 119.6158 57.2790 66.0135 174.2949 4 G 3.8977 9.1519 111.5655 44.9248 0.0000 172.6842 5 S 4.5048 7.9118 113.5657 56.4900 65.5194 173.7599 6 S 4.0104 8.6506 121.7460 58.6681 61.8091 173.1485 7 G 3.9833 8.1580 112.8930 45.0582 0.0000 171.5497 8 Q 4.6452 7.8746 117.9752 52.2158 33.2151 173.5656 9 P 4.4906 0.0000 0.0000 61.5145 32.1376 173.8346 10 P 4.5014 0.0000 0.0000 61.9143 32.3635 175.1967 11 L 4.2519 8.3563 120.2297 54.2302 42.3007 177.4692 12 K 4.0781 8.7572 125.2461 60.2921 33.0875 177.9409 13 N 4.2074 8.5775 116.7558 56.4845 38.7211 176.1057 14 L 3.8049 8.4437 119.2320 58.6826 41.8615 179.0210 15 L 3.6522 7.5855 117.4011 57.9352 41.5326 179.3767 16 S 4.0709 7.9422 112.9227 61.7567 61.9737 176.1211 17 L 3.9348 7.9831 120.1632 58.0340 41.6673 179.5511 18 L 3.9787 7.9713 118.6425 58.0617 41.5221 179.6979 19 K 4.2150 7.7107 117.5889 59.6330 31.7688 178.1219 20 A 3.9116 7.4877 120.2109 55.9930 18.5208 178.9637 21 Y 4.1040 8.2610 114.4483 61.1907 38.4155 178.1782 22 Y 5.6754 8.7874 121.1506 60.5666 38.6546 178.1967 23 A 3.8634 7.8162 121.4111 54.7622 18.5025 178.1461 24 L 4.2109 8.2370 115.4661 56.9364 41.9781 176.3583 25 N 4.6297 7.4640 118.5670 51.2886 37.7262 174.8442 26 A 4.0165 8.5991 127.1769 54.3910 18.7554 178.5496 27 Q 4.5336 7.6328 113.8805 53.1605 28.4272 172.0328 28 P 4.6428 0.0000 0.0000 62.4675 32.5300 178.2812 29 S 4.3777 8.3042 116.5701 57.5171 65.5048 174.7331 30 A 3.8755 8.4246 122.2541 55.5827 17.7676 179.2327 31 E 3.8179 8.2064 116.0960 59.9239 29.5354 179.7964 32 E 3.8477 8.0037 117.6006 59.2495 29.7440 178.6076 33 L 3.8546 8.1181 119.3500 58.0910 41.5170 179.2581 34 S 4.0465 8.1125 112.2420 61.7472 62.4024 176.2374 35 K 3.9947 7.6107 121.5360 59.5520 31.9319 178.6049 36 I 3.1478 8.0964 120.2254 64.3588 36.9221 178.1878 37 A 3.9230 8.0623 121.3739 55.2839 18.1345 179.0242 38 D 4.3578 7.6044 114.8664 57.4457 41.1341 178.8334 39 S 4.3850 7.4062 114.9358 61.3593 63.0732 175.9362 40 V 4.0683 7.5729 113.3954 60.2055 31.1348 175.8319 41 N 4.4685 8.1167 114.9501 54.5590 37.3490 173.5107 42 L 4.8278 7.0644 113.7173 51.0995 44.8972 175.5551 43 P 4.5565 0.0000 0.0000 62.6253 33.8248 176.4555 44 L 3.9375 8.3343 117.5857 57.0970 42.0048 178.2859 45 D 4.3366 7.9202 119.1024 56.5967 39.7059 178.5186 46 V 3.6264 7.5741 119.9644 65.4626 31.5506 178.1608 47 V 3.7539 7.4939 117.7333 65.6128 31.3336 178.0809 48 K 4.1599 8.0422 117.8735 59.7548 31.9498 178.9127 49 K 3.9056 8.1819 118.4791 59.2160 32.0201 178.7336 50 W 4.1948 7.9480 126.7740 60.7927 30.6325 177.9573 51 F 3.9960 8.3936 116.7599 60.9235 38.2083 177.5267 52 E 4.1634 8.5696 117.9985 59.4050 29.1974 179.8572 53 K 3.9297 8.2551 118.9595 59.3262 32.0788 179.0840 54 M 3.4533 7.6495 118.6600 58.6916 31.8408 178.1031 55 Q 3.9737 7.9780 116.8825 59.1506 28.9267 178.8503 56 A 4.2146 7.3804 119.4928 52.8785 18.8280 177.8959 57 G 4.0384 8.1396 105.9550 46.4684 0.0000 174.7273 58 Q 4.3323 8.2062 119.0936 57.3182 30.2832 177.6329 59 I 3.6109 7.4250 116.7592 64.1532 37.5155 176.6165 60 S 4.3741 7.6373 114.9566 56.9703 64.3481 174.7725 61 V 3.6437 8.6176 128.6396 64.3582 30.9116 176.3518 62 Q 4.3955 7.3613 118.6307 54.2154 27.4304 174.6455 63 S 4.9694 8.0779 117.3311 56.7219 65.7522 174.8076 64 S 4.2410 8.3657 117.3497 58.9811 63.6872 174.1632 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 8.34 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 0.00 0.00 0.00 2 S 8.53 4.07 0.00 4.07 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 3 S 8.79 4.53 0.00 3.79 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 4 G 9.15 3.90 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 0.00 0.00 0.00 5 S 7.91 4.50 0.00 3.81 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 6 S 8.65 4.01 0.00 3.86 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 7 G 8.16 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 8 Q 7.87 4.65 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 9 P 0.00 4.49 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 10 P 0.00 4.50 0.00 2.19 2.13 0.00 3.77 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 11 L 8.36 4.25 0.00 1.70 1.57 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.76 4.08 0.00 2.04 2.10 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.59 7.81 13 N 8.58 4.21 0.00 2.77 2.93 0.00 0.00 6.73 6.74 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 14 L 8.44 3.80 0.00 1.63 1.79 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.59 3.65 0.00 1.93 1.86 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.94 4.07 0.00 3.89 4.01 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 0.00 0.00 0.00 17 L 7.98 3.93 0.00 1.72 1.73 0.90 1.02 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 18 L 7.97 3.98 0.00 0.92 0.22 0.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.71 4.21 0.00 2.09 2.02 0.00 1.84 0.00 0.00 2.01 0.00 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.75 2.06 7.81 20 A 7.49 3.91 1.13 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 0.00 0.00 0.00 0.00 0.00 21 Y 8.26 4.10 0.00 3.25 3.13 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 0.00 0.00 0.00 22 Y 8.79 5.68 0.00 3.56 3.41 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 23 A 7.82 3.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 4.21 0.00 1.72 1.79 0.96 1.12 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 25 N 7.46 4.63 0.00 2.89 2.93 0.00 0.00 7.12 8.59 0.00 0.00 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 A 8.60 4.02 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 27 Q 7.63 4.53 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 28 P 0.00 4.64 0.00 1.93 2.03 0.00 2.93 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.18 0.00 29 S 8.30 4.38 0.00 4.03 4.04 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 0.00 0.00 0.00 30 A 8.42 3.88 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 31 E 8.21 3.82 0.00 1.96 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 2.40 2.38 0.00 32 E 8.00 3.85 0.00 2.06 1.91 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 2.37 2.31 0.00 33 L 8.12 3.85 0.00 1.77 1.72 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.11 4.05 0.00 3.82 3.90 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 35 K 7.61 3.99 0.00 2.04 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 36 I 8.10 3.15 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.42 0.22 0.00 0.00 37 A 8.06 3.92 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 38 D 7.60 4.36 0.00 2.63 2.87 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 39 S 7.41 4.38 0.00 4.08 4.01 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 0.00 0.00 0.00 40 V 7.57 4.07 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 0.76 0.00 0.00 1.00 0.00 0.00 41 N 8.12 4.47 0.00 2.80 2.83 0.00 0.00 6.91 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 42 L 7.06 4.83 0.00 1.52 1.49 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.56 0.00 2.43 2.22 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 44 L 8.33 3.94 0.00 1.78 1.70 0.96 1.09 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 45 D 7.92 4.34 0.00 3.01 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 46 V 7.57 3.63 2.09 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 0.95 0.00 0.00 0.94 0.00 0.00 47 V 7.49 3.75 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 1.23 0.00 0.00 0.92 0.00 0.00 48 K 8.04 4.16 0.00 2.16 1.93 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.69 7.81 49 K 8.18 3.91 0.00 2.08 1.90 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 50 W 7.95 4.19 0.00 3.34 3.18 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 51 F 8.39 4.00 0.00 3.50 3.11 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 0.00 0.00 0.00 0.00 52 E 8.57 4.16 0.00 2.19 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 2.36 2.54 0.00 53 K 8.26 3.93 0.00 1.80 1.58 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.57 7.81 54 M 7.65 3.45 0.00 0.86 0.57 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.00 0.00 55 Q 7.98 3.97 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 56 A 7.38 4.21 1.33 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 0.00 0.00 0.00 57 G 8.14 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.21 4.33 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 59 I 7.42 3.61 1.42 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.80 0.00 0.00 60 S 7.64 4.37 0.00 3.79 3.65 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 61 V 8.62 3.64 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 0.73 0.00 0.00 0.92 0.00 0.00 62 Q 7.36 4.40 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 63 S 8.08 4.97 0.00 3.87 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 64 S 8.37 4.24 0.00 3.81 3.68 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