NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 D 4.6744 8.3644 120.5385 54.2734 41.9720 174.2728 26 V 4.2525 8.3765 123.4056 60.0668 34.7592 172.3953 27 M 5.0456 8.8316 124.7075 53.5772 36.4183 173.7478 28 W 5.5758 9.7326 125.0862 55.1261 33.3181 174.2247 29 E 5.5132 9.5009 118.2336 54.8870 33.1637 173.5229 30 Y 5.6694 8.4257 117.1184 55.9580 41.9919 173.5699 31 K 5.1379 9.1626 118.8009 54.5613 36.0959 177.7530 32 W 4.4931 9.2194 121.6185 58.6369 29.6115 176.6708 33 E 4.8559 8.0160 116.1144 54.5449 33.0578 175.5886 34 N 4.0770 7.8786 121.7494 52.7077 37.6520 173.4813 35 T 4.6335 6.8740 108.6626 59.3669 72.5373 175.1003 36 G 3.6565 8.4933 110.2887 47.8667 0.0000 174.5189 37 D 4.4669 7.8731 118.2168 55.5818 41.6966 177.0619 38 A 4.0647 7.2848 121.5330 52.0268 18.8100 177.0871 39 E 3.8909 8.6317 121.8370 56.3625 30.1346 176.3869 40 L 4.5060 7.8888 123.0508 53.6090 43.1911 175.4489 41 Y 4.4146 8.1705 121.1445 56.0398 39.8815 175.9322 42 G 3.9385 8.6913 111.9216 44.4874 0.0000 170.2162 43 P 4.4798 0.0000 0.0000 63.4437 31.4130 175.9209 44 F 5.4821 9.3362 123.2739 55.5142 42.8072 175.3165 45 T 4.5590 8.6711 112.3949 61.3916 69.8248 175.5143 46 S 4.2431 9.1497 118.8935 62.0139 62.8982 176.9234 47 A 3.9609 8.0181 122.8539 54.9681 18.1099 179.2611 48 Q 3.1972 7.7277 117.6731 59.3749 28.9851 178.3835 49 M 3.7737 7.4471 119.5341 58.2648 31.7240 178.5194 50 Q 3.8382 7.9209 119.8869 59.4716 29.1489 178.4503 51 T 3.7465 8.0179 117.0157 66.5550 68.5654 176.6996 52 W 4.4809 7.8640 120.7689 59.3418 28.9965 178.9988 53 V 3.6495 8.0388 119.0320 65.9314 30.9368 177.7443 54 S 4.4452 8.0911 110.6326 59.5240 63.1916 174.6944 55 E 4.4982 7.8402 119.8551 55.8177 28.9649 176.5501 56 G 3.8372 7.9015 107.8635 45.7260 0.0000 175.1584 57 Y 4.0986 7.3778 117.5429 59.6704 38.6395 176.3016 58 F 5.4329 7.1983 116.4935 55.6022 38.9568 174.4389 59 P 4.3307 0.0000 0.0000 64.9336 31.8981 177.4199 60 D 4.6679 8.3066 115.9417 53.0851 41.7574 176.1204 61 G 4.0952 8.1370 104.4116 46.2094 0.0000 173.2488 62 V 4.1793 7.9313 112.2894 59.1425 35.8253 174.6961 63 Y 5.1209 8.5869 120.9889 57.4831 38.7886 174.6533 64 C 6.3000 9.9675 119.4511 55.8381 34.1434 173.0277 65 R 5.1113 8.6325 114.0899 54.7575 32.2564 174.5360 66 K 3.7595 8.1199 119.6623 56.4823 32.2314 177.2899 67 L 4.1366 8.6894 122.7067 56.4301 42.3623 176.9727 68 D 4.7146 7.6445 117.7861 51.3160 43.3119 173.4843 69 P 4.5781 0.0000 0.0000 61.1667 32.4439 175.2561 70 P 4.2612 0.0000 0.0000 64.9792 31.4194 177.8790 71 G 4.0347 7.2547 109.0386 47.5372 0.0000 174.5558 72 G 3.4925 7.3878 106.5038 45.6583 0.0000 172.8140 73 Q 3.5388 8.4580 134.3066 55.4303 27.5448 172.0946 74 F 4.8493 8.2940 123.6973 56.9224 40.4001 175.0685 75 Y 5.1371 9.0208 119.5920 55.8226 42.3881 174.4539 76 N 4.6294 8.9672 121.2674 53.5404 39.7950 176.0399 77 S 4.1249 9.3233 121.9742 60.5807 63.2796 176.4029 78 K 3.9974 8.2910 122.0353 58.8271 31.9523 177.3635 79 R 4.3696 7.9150 115.5422 55.8661 30.4901 175.7968 80 I 4.1082 7.1238 119.6723 59.3081 38.9592 175.1006 81 D 4.5886 8.2041 125.0915 52.4436 40.2810 176.5665 82 F 4.3375 8.2790 126.1477 59.8483 39.0361 177.4737 83 D 4.5041 8.4484 120.1781 56.7829 41.1353 177.7178 84 L 4.1197 7.9745 117.7487 56.5409 41.5810 176.9732 85 Y 4.6134 7.8581 114.9960 57.8599 39.3209 175.8511 86 T 4.2637 7.7396 114.8059 61.8074 69.1035 174.5039 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 25 D 8.36 4.67 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.25 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 0.13 0.00 0.00 0.97 0.00 0.00 27 M 8.83 5.05 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 28 W 9.73 5.58 0.00 3.55 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 29 E 9.50 5.51 0.00 2.21 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 2.31 2.35 0.00 30 Y 8.43 5.67 0.00 3.01 3.07 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 0.00 31 K 9.16 5.14 0.00 1.72 1.67 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.21 7.81 32 W 9.22 4.49 0.00 3.43 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.86 0.00 1.93 1.80 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 2.36 2.42 0.00 34 N 7.88 4.08 0.00 1.44 2.17 0.00 0.00 6.81 7.70 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 35 T 6.87 4.63 4.17 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 1.13 0.00 0.00 36 G 8.49 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 37 D 7.87 4.47 0.00 2.63 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 38 A 7.28 4.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.89 0.00 1.92 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 2.23 2.22 0.00 40 L 7.89 4.51 0.00 1.37 1.46 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.17 4.41 0.00 2.22 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 42 G 8.69 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 43 P 0.00 4.48 0.00 2.05 2.04 0.00 3.56 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 1.92 1.96 0.00 44 F 9.34 5.48 0.00 3.22 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 45 T 8.67 4.56 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 1.27 0.00 0.00 46 S 9.15 4.24 0.00 4.15 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 0.00 47 A 8.02 3.96 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 48 Q 7.73 3.20 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 49 M 7.45 3.77 0.00 0.51 1.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.74 0.00 50 Q 7.92 3.84 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 51 T 8.02 3.75 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 1.08 0.00 0.00 52 W 7.86 4.48 0.00 3.19 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 0.00 0.00 0.00 0.00 53 V 8.04 3.65 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 1.15 0.00 0.00 1.12 0.00 0.00 54 S 8.09 4.45 0.00 4.05 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 55 E 7.84 4.50 0.00 2.27 1.95 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 2.27 2.42 0.00 56 G 7.90 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 57 Y 7.38 4.10 0.00 2.43 2.45 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 F 7.20 5.43 0.00 2.97 2.71 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 59 P 0.00 4.33 0.00 2.22 2.21 0.00 4.08 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 60 D 8.31 4.67 0.00 2.73 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 61 G 8.14 4.10 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 0.00 0.00 0.00 62 V 7.93 4.18 1.63 0.00 0.00 0.00 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 -0.76 0.00 0.00 63 Y 8.59 5.12 0.00 2.96 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 64 C 9.97 6.30 0.00 3.45 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 65 R 8.63 5.11 0.00 1.64 1.80 0.00 2.55 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.00 66 K 8.12 3.76 0.00 1.32 1.24 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.30 0.97 7.81 67 L 8.69 4.14 0.00 1.37 1.64 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.64 4.71 0.00 2.50 2.42 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 69 P 0.00 4.58 0.00 2.22 2.14 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 70 P 0.00 4.26 0.00 2.16 2.19 0.00 3.77 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 1.95 1.93 0.00 71 G 7.25 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 72 G 7.39 3.49 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 0.00 73 Q 8.46 3.54 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.80 0.00 0.00 0.00 0.00 0.00 1.97 1.52 0.00 74 F 8.29 4.85 0.00 2.96 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 75 Y 9.02 5.14 0.00 3.05 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 76 N 8.97 4.63 0.00 2.75 2.70 0.00 0.00 6.76 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.32 4.12 0.00 4.17 4.12 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 78 K 8.29 4.00 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 79 R 7.92 4.37 0.00 1.93 1.89 0.00 3.21 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 80 I 7.12 4.11 1.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.09 0.00 0.00 81 D 8.20 4.59 0.00 2.63 2.57 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 0.00 0.00 0.00 0.00 82 F 8.28 4.34 0.00 3.14 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 83 D 8.45 4.50 0.00 2.91 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 84 L 7.97 4.12 0.00 1.61 1.36 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.86 4.61 0.00 3.31 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.74 4.26 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 1.39 0.00 0.00