NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4709 8.3049 120.3491 55.4040 33.6059 175.2478 2 K 4.2772 7.6337 117.7642 57.3967 35.7179 177.7770 3 A 3.9996 8.1737 121.2759 54.8657 19.7370 178.3558 4 K 4.0598 8.1845 116.3598 59.7555 32.5217 177.8310 5 E 4.0794 8.2640 116.4552 58.9221 29.7974 176.9913 6 L 3.6355 7.6061 118.5643 56.6057 42.3358 175.8785 7 R 3.7403 8.7445 127.0419 56.0851 27.2338 175.1379 8 E 4.5060 8.2817 115.4413 55.9723 31.8235 172.8211 9 K 4.2328 8.1387 121.7042 56.8391 33.1198 176.9439 10 S 4.3319 8.3856 120.0468 60.2025 62.8381 177.0164 11 V 3.7360 7.6277 120.3662 66.1782 31.7977 176.8222 12 E 3.9044 8.3164 117.1560 59.9493 29.2146 178.8252 13 E 3.9537 8.5932 117.7799 59.8987 30.0277 179.5474 14 L 4.1385 7.5278 118.1165 57.8539 41.8895 178.6068 15 N 4.4526 8.6889 116.4965 56.2401 38.7600 177.4315 16 T 3.8400 7.8473 116.6286 67.3754 68.5405 175.3748 17 E 3.7291 8.6726 119.2337 59.9085 29.4228 178.4049 18 L 3.9449 8.2548 118.8893 58.4675 42.3603 179.5925 19 L 3.9689 8.1945 118.8068 58.5290 41.5519 178.5521 20 N 4.2107 8.9979 116.5402 57.2630 38.3928 176.7920 21 L 3.9634 8.3050 119.3756 57.7112 41.8606 179.9856 22 L 3.3740 8.6490 114.3066 58.7544 43.7159 181.7787 23 R 4.5981 6.8938 116.0696 56.4006 30.7876 180.8271 24 E 3.0440 8.2267 121.3128 56.5844 30.8009 178.2204 25 Q 3.9254 7.2134 123.0284 60.0626 29.7567 178.4960 26 F 4.0838 8.4926 121.2925 61.1993 39.3511 176.9974 27 N 4.2668 8.1314 116.2412 56.2720 38.3004 177.0063 28 L 4.1283 8.0644 120.7881 58.0442 41.7089 179.3908 29 R 4.0579 7.6981 118.0079 59.8586 29.7003 178.1559 30 M 3.7775 7.4608 116.9214 58.4831 32.2492 178.1907 31 Q 4.0699 9.0466 121.6548 58.5398 29.0088 178.0319 32 A 3.9348 8.6425 121.7236 55.4006 18.6103 179.3964 33 A 4.0779 8.1726 117.8817 54.0624 18.7138 178.2880 34 S 4.6194 8.1929 114.0757 58.6693 63.8170 176.5098 35 G 4.1636 8.2367 112.7385 47.3292 0.0000 175.4147 36 Q 4.3068 7.6158 126.3580 53.3303 27.4538 176.5714 37 L 3.5103 8.5941 130.8047 56.6171 40.2872 174.0177 38 Q 4.0793 8.6768 124.5910 58.3097 29.3733 177.1329 39 Q 4.4226 7.7474 119.2932 54.4074 27.9738 175.8520 40 S 4.1573 8.5165 122.2951 62.1070 63.2382 175.7026 41 H 4.1844 8.5012 118.0846 58.2747 27.5530 177.1995 42 L 3.8660 7.3598 120.7498 57.8893 41.5307 178.6130 43 L 4.0662 7.7681 118.7551 58.7620 41.6225 178.7294 44 K 3.8390 7.8656 117.3344 59.0381 31.7697 177.5752 45 Q 4.1860 7.3284 118.3347 57.1021 29.0712 174.3488 46 V 3.3633 7.7971 118.6829 63.0637 31.7297 173.0687 47 R 3.8856 7.8245 117.7190 59.9860 30.3257 179.0184 48 R 4.0955 8.1473 117.2500 59.0489 30.1474 178.1597 49 D 4.3241 8.2519 118.1627 57.7407 40.7467 178.9736 50 V 3.5118 8.3272 118.3937 66.3528 31.6002 178.0735 51 A 3.9872 7.5848 118.9979 55.0515 18.0502 179.7630 52 R 3.8120 7.9016 116.6104 59.4419 30.0006 179.0155 53 V 3.5681 7.7766 117.0598 66.4528 31.6334 177.9895 54 K 4.1865 8.4038 117.3826 58.8793 31.6788 179.6623 55 T 3.9033 7.8339 116.6601 65.6461 68.5283 175.1244 56 L 4.2502 7.3286 119.5738 55.7198 42.6275 175.3589 57 L 4.2813 8.9136 124.0846 55.4003 41.3538 175.1287 58 N 4.7595 7.6118 113.4760 53.5552 38.8984 174.7376 59 E 4.5883 7.6506 113.7849 57.0890 31.6917 177.3041 60 K 3.9450 8.2961 119.5861 58.6834 32.6077 176.6762 61 A 4.4010 7.9568 121.3787 51.4860 20.0929 178.7808 62 G 3.9635 8.8739 106.0031 46.3949 0.0000 174.0020 63 A 4.1971 8.1130 127.0100 52.4247 19.3635 175.5549 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 M 8.30 4.47 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.87 0.00 2 K 7.63 4.28 0.00 1.91 1.71 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 A 8.17 4.00 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 4 K 8.18 4.06 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 5 E 8.26 4.08 0.00 2.00 1.98 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 2.31 2.29 0.00 6 L 7.61 3.64 0.00 1.72 1.80 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.74 3.74 0.00 1.95 1.93 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 8 E 8.28 4.51 0.00 2.02 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 0.00 2.17 2.31 0.00 9 K 8.14 4.23 0.00 2.06 1.82 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.57 7.81 10 S 8.39 4.33 0.00 3.90 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 11 V 7.63 3.74 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 0.87 0.00 0.00 0.93 0.00 0.00 12 E 8.32 3.90 0.00 2.37 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 2.41 2.43 0.00 13 E 8.59 3.95 0.00 2.21 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 0.00 2.34 2.35 0.00 14 L 7.53 4.14 0.00 1.93 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.69 4.45 0.00 2.95 2.83 0.00 0.00 6.84 7.71 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 16 T 7.85 3.84 4.24 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 1.21 0.00 0.00 17 E 8.67 3.73 0.00 2.02 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 2.32 2.41 0.00 18 L 8.25 3.94 0.00 1.96 1.67 0.90 0.54 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 19 L 8.19 3.97 0.00 2.02 1.72 0.98 0.70 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 20 N 9.00 4.21 0.00 3.01 2.83 0.00 0.00 7.06 6.62 0.00 0.00 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 L 8.31 3.96 0.00 1.66 1.72 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.65 3.37 0.00 1.75 1.65 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 R 6.89 4.60 0.00 2.00 1.12 0.00 3.38 0.00 0.00 3.19 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 E 8.23 3.04 0.00 2.18 1.77 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 2.40 2.31 0.00 25 Q 7.21 3.93 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 26 F 8.49 4.08 0.00 3.13 3.31 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 27 N 8.13 4.27 0.00 2.80 2.88 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.06 4.13 0.00 1.79 1.71 0.90 0.83 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 29 R 7.70 4.06 0.00 1.99 1.67 0.00 3.02 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 30 M 7.46 3.78 0.00 1.83 1.92 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 2.18 1.37 0.00 31 Q 9.05 4.07 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 32 A 8.64 3.93 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 33 A 8.17 4.08 1.29 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 0.00 0.00 34 S 8.19 4.62 0.00 4.04 4.11 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 35 G 8.24 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 0.00 0.00 0.00 36 Q 7.62 4.31 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.09 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 37 L 8.59 3.51 0.00 1.77 1.64 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.68 4.08 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 39 Q 7.75 4.42 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 40 S 8.52 4.16 0.00 4.07 4.18 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 41 H 8.50 4.18 0.00 3.40 3.61 0.00 5.48 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 42 L 7.36 3.87 0.00 1.74 1.72 0.66 0.88 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 43 L 7.77 4.07 0.00 1.69 1.73 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.87 3.84 0.00 1.95 1.90 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 45 Q 7.33 4.19 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.72 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 46 V 7.80 3.36 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 0.86 0.00 0.00 0.94 0.00 0.00 47 R 7.82 3.89 0.00 2.17 2.14 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 48 R 8.15 4.10 0.00 1.91 1.95 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 49 D 8.25 4.32 0.00 2.89 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 50 V 8.33 3.51 2.34 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 1.10 0.00 0.00 0.96 0.00 0.00 51 A 7.58 3.99 1.40 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 0.00 0.00 52 R 7.90 3.81 0.00 2.12 1.99 0.00 3.30 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 53 V 7.78 3.57 2.23 0.00 0.00 0.00 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 0.96 0.00 0.00 54 K 8.40 4.19 0.00 1.83 1.84 0.00 1.72 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 1.46 1.68 7.81 55 T 7.83 3.90 4.41 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 1.21 0.00 0.00 56 L 7.33 4.25 0.00 1.76 1.67 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.91 4.28 0.00 1.95 1.98 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.61 4.76 0.00 2.72 2.86 0.00 0.00 7.04 7.54 0.00 0.00 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 E 7.65 4.59 0.00 1.99 2.10 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 2.36 2.20 0.00 60 K 8.30 3.94 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.96 4.40 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 62 G 8.87 3.96 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 0.00 0.00 0.00 63 A 8.11 4.20 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