NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4466 8.3049 120.3257 53.8084 34.6678 177.3071 4 S 4.7450 7.6005 119.0867 56.4080 66.9756 170.2757 5 A 5.0008 7.8626 124.2992 53.4044 21.8813 175.0882 6 K 3.9644 8.6267 112.5873 57.1409 34.6187 173.1114 7 E 3.5699 9.1368 129.2701 56.5549 26.7919 172.3787 8 L 4.4998 7.1568 127.6239 54.0895 49.8100 174.9324 9 R 4.5497 7.9252 116.1662 55.9861 32.3372 174.6141 10 C 4.5829 7.6051 118.2268 56.4256 41.4306 175.5062 11 Q 3.7992 8.8255 124.1190 58.5612 28.5314 177.6116 12 C 4.7612 7.7360 116.2985 54.6342 46.0656 173.5002 13 V 3.9047 8.4001 127.1784 61.7544 32.1469 175.6526 14 K 3.7328 8.4231 126.8989 55.8158 32.4147 174.2503 15 T 4.2555 8.1558 117.5592 63.3543 70.0351 176.3217 16 T 4.3872 8.1908 125.7306 62.8706 67.3176 176.1537 17 S 4.4714 7.6993 115.5021 59.1576 64.0390 176.4117 18 Q 4.0334 7.4612 118.8619 58.8829 28.2707 177.4435 19 V 4.0953 7.1505 116.3337 61.7763 32.5939 175.1255 20 R 4.6279 8.1787 124.3574 53.7649 31.9219 174.2729 21 P 4.4875 0.0000 0.0000 62.4060 31.6832 174.7505 22 R 4.2185 7.4591 130.7460 57.1959 33.1062 174.2832 23 H 4.7275 7.6001 111.6054 55.8734 29.2977 175.1142 24 I 3.8976 7.0128 119.8823 62.5971 37.9365 174.7648 25 T 4.4994 8.2477 114.8138 63.3357 69.5246 173.8555 26 S 4.8383 7.7425 113.8450 57.8606 67.3252 174.3302 27 L 5.1353 8.3664 121.3854 54.3724 43.4412 175.1615 28 E 4.5219 8.9087 119.7414 55.4193 32.2176 175.4615 29 V 4.2970 8.2749 120.3757 61.4749 33.6832 174.1620 30 I 4.4884 8.2657 129.1193 59.3124 39.7656 176.2926 31 K 4.5747 8.4412 127.2805 55.4408 34.1657 175.7894 32 A 4.8669 7.9058 123.1392 51.1241 17.8241 178.1609 33 G 3.8431 8.2568 118.5842 45.8746 0.0000 170.4134 34 P 4.3400 0.0000 0.0000 65.8318 32.2384 178.3405 35 H 4.3795 7.6700 115.1369 56.5997 28.9620 174.9544 36 C 5.2648 7.4440 119.3195 53.7966 43.4493 172.0339 37 P 4.2059 0.0000 0.0000 64.2074 31.6825 177.1397 38 T 4.4546 7.5078 113.3708 60.5536 68.7564 174.0559 39 A 3.9737 8.5312 128.5860 52.4694 19.2730 176.9928 40 Q 4.3753 8.8579 124.5386 54.2698 30.5838 173.1536 41 L 4.9383 8.2203 128.1012 53.1456 44.6334 175.0446 42 I 4.7649 8.3365 125.2252 59.7609 40.5107 174.1466 43 A 4.9546 8.2851 123.0351 51.6050 23.1202 174.7395 44 T 4.8962 8.5563 111.0227 62.7069 73.4361 174.2404 45 L 4.9167 7.9886 127.9740 53.3538 43.9720 176.1127 46 K 4.0168 7.7469 118.4832 59.5166 32.8387 177.0134 47 N 4.5887 8.1028 118.1241 51.6191 37.2675 171.6381 48 G 4.5634 7.7852 114.5395 45.0576 0.0000 170.7577 49 R 4.6084 8.6920 121.1531 55.9551 32.7817 174.6984 50 K 4.7509 8.0823 115.4101 55.9303 35.9175 175.2154 51 I 4.7476 7.2440 117.5302 60.0344 41.0829 172.2663 52 C 5.1365 8.1239 109.1416 54.9820 45.1268 173.3842 53 L 5.2412 8.3456 120.2175 53.5784 45.5839 174.9099 54 D 4.7973 8.6007 119.5763 52.4274 41.4276 175.9637 55 L 3.3187 7.9261 115.1083 55.1653 41.0780 176.0858 56 Q 4.5393 8.1444 117.0642 55.9481 29.7986 173.9880 57 A 4.8038 7.7709 118.5407 48.7485 22.2503 175.3848 58 P 4.4629 0.0000 0.0000 63.6996 31.4332 178.0272 59 L 3.8235 7.6002 121.2453 58.7548 42.2612 178.3084 60 Y 4.2853 7.7586 115.8578 59.4526 38.0294 177.8796 61 K 3.3659 6.9654 120.3047 58.6635 32.0227 179.0662 62 K 4.0617 7.7962 118.8443 58.8561 31.9374 179.1860 63 I 3.7559 7.4136 120.2448 64.3018 37.2857 177.9933 64 I 3.7057 7.8330 120.3694 64.5791 36.9986 178.7989 65 K 3.9924 8.0384 119.1813 59.3042 31.6383 179.4911 66 K 4.3420 7.7552 118.9409 58.1703 32.3621 178.6620 67 L 4.3071 7.7459 119.1083 56.6359 41.6142 178.9427 68 L 4.1132 7.7106 118.6471 57.4767 41.3320 178.4228 69 E 4.0671 7.9926 118.6899 58.8692 29.1978 177.6521 70 S 4.3383 7.5417 117.1794 58.5656 63.4562 173.6957 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 3 M 8.30 4.45 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 4 S 7.60 4.74 0.00 3.88 3.77 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 5 A 7.86 5.00 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 6 K 8.63 3.96 0.00 1.66 1.63 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.26 7.81 7 E 9.14 3.57 0.00 2.11 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 2.19 2.34 0.00 8 L 7.16 4.50 0.00 1.61 1.58 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.93 4.55 0.00 1.73 1.73 0.00 3.33 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 10 C 7.61 4.58 0.00 3.03 3.12 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 11 Q 8.83 3.80 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 12 C 7.74 4.76 0.00 2.90 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 13 V 8.40 3.90 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 0.83 0.00 0.00 0.93 0.00 0.00 14 K 8.42 3.73 0.00 1.89 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 15 T 8.16 4.26 4.25 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 1.28 0.00 0.00 16 T 8.19 4.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 17 S 7.70 4.47 0.00 4.02 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 18 Q 7.46 4.03 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 19 V 7.15 4.10 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 0.92 0.00 0.00 0.95 0.00 0.00 20 R 8.18 4.63 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 21 P 0.00 4.49 0.00 2.19 2.08 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 22 R 7.46 4.22 0.00 1.83 1.74 0.00 3.08 0.00 0.00 3.35 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 23 H 7.60 4.73 0.00 3.31 3.50 0.00 5.50 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.01 3.90 1.91 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 1.37 0.83 0.93 0.00 0.00 25 T 8.25 4.50 4.28 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 1.29 0.00 0.00 26 S 7.74 4.84 0.00 3.76 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 27 L 8.37 5.14 0.00 1.71 1.60 1.03 0.67 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 28 E 8.91 4.52 0.00 2.08 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 2.24 2.35 0.00 29 V 8.27 4.30 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 0.88 0.00 0.00 0.96 0.00 0.00 30 I 8.27 4.49 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.90 0.00 0.00 31 K 8.44 4.57 0.00 1.75 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 32 A 7.91 4.87 1.24 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 0.00 0.00 33 G 8.26 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 34 P 0.00 4.34 0.00 2.21 2.24 0.00 3.39 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 35 H 7.67 4.38 0.00 3.41 3.59 0.00 5.40 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.44 5.26 0.00 2.99 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 37 P 0.00 4.21 0.00 2.20 2.18 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 38 T 7.51 4.45 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 39 A 8.53 3.97 1.16 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 40 Q 8.86 4.38 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 41 L 8.22 4.94 0.00 1.69 1.64 0.91 1.01 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 42 I 8.34 4.76 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.02 0.00 0.00 43 A 8.29 4.95 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.56 4.90 4.23 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 0.00 0.00 0.00 1.25 0.00 0.00 45 L 7.99 4.92 0.00 1.60 1.52 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.75 4.02 0.00 2.02 2.07 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.22 7.81 47 N 8.10 4.59 0.00 2.75 2.81 0.00 0.00 7.02 7.59 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 48 G 7.79 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.69 4.61 0.00 1.94 2.03 0.00 2.78 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 50 K 8.08 4.75 0.00 1.69 1.66 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.34 7.81 51 I 7.24 4.75 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 1.30 0.48 0.92 0.00 0.00 52 C 8.12 5.14 0.00 3.20 3.16 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 53 L 8.35 5.24 0.00 1.48 1.65 0.97 1.14 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 54 D 8.60 4.80 0.00 2.71 2.67 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 55 L 7.93 3.32 0.00 1.10 1.11 0.78 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.14 4.54 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 57 A 7.77 4.80 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 58 P 0.00 4.46 0.00 2.26 2.28 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 59 L 7.60 3.82 0.00 1.97 1.95 0.95 0.86 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 60 Y 7.76 4.29 0.00 3.33 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.97 3.37 0.00 1.39 1.68 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.86 1.17 7.81 62 K 7.80 4.06 0.00 1.99 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 I 7.41 3.76 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.69 0.96 0.00 0.00 64 I 7.83 3.71 1.72 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 1.58 0.69 0.89 0.00 0.00 65 K 8.04 3.99 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.60 7.81 66 K 7.76 4.34 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.56 7.81 67 L 7.75 4.31 0.00 1.86 1.70 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.71 4.11 0.00 1.76 1.71 0.92 0.91 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 69 E 7.99 4.07 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 2.36 2.45 0.00 70 S 7.54 4.34 0.00 3.92 3.71 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