NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3097 8.3545 119.0729 55.9711 31.2552 174.9649 -1 K 4.6709 7.9061 122.2185 51.6067 37.1826 175.2004 0 L 3.4889 8.9475 119.4773 56.9016 41.6291 179.5414 1 C 4.4295 9.2232 124.9987 60.8378 39.9057 175.3434 2 S 4.0192 8.1305 114.1907 59.2736 62.9577 173.7701 3 L 4.3297 8.1990 123.9880 53.6574 41.9108 175.5135 4 D 4.5005 9.3631 128.8153 55.4951 39.8741 173.2087 5 N 4.2529 8.2688 109.4955 53.3328 37.6277 174.2529 6 G 3.7531 8.8910 101.2454 45.7015 0.0000 174.5948 7 D 4.5213 8.2649 115.7826 54.4443 40.3720 173.3704 8 C 4.6132 7.8466 114.5294 56.6146 41.0200 173.7716 9 D 4.5031 8.5820 123.3702 56.9328 42.1597 177.4222 10 Q 4.4018 7.5862 111.8650 55.8560 30.6641 179.4256 11 F 4.7519 6.3825 126.6430 58.5239 40.4271 172.9462 12 C 5.5336 8.8503 121.5984 55.2609 44.6395 172.6909 13 H 5.0874 9.3925 122.2139 54.0487 32.8713 172.1989 14 E 4.9980 8.8445 120.9905 54.8882 31.1115 175.3068 15 E 4.5751 9.0692 124.9517 55.6848 32.3459 176.4681 16 Q 3.4479 9.6440 123.1729 57.1863 26.4350 173.6655 17 N 4.2948 8.4885 110.3309 54.0708 37.8818 172.9546 18 S 4.7999 7.8334 110.1338 55.6704 66.0751 173.0858 19 V 4.2236 8.2026 121.6255 62.8991 32.3115 175.3355 20 V 4.4105 9.2779 127.3806 61.4504 34.0366 173.8553 21 C 5.3766 8.9027 125.4656 56.5000 36.6491 172.6990 22 S 4.7108 8.6793 115.0119 57.9221 66.6746 171.7740 23 C 4.9838 8.5068 115.8232 54.5725 38.5352 174.1953 24 A 4.5046 8.7474 123.7110 51.5598 18.6861 177.3236 25 R 4.1046 8.4532 120.0635 58.1999 30.5691 176.9695 26 G 3.9769 9.4885 112.5462 45.1395 0.0000 171.8899 27 Y 5.2601 7.6590 115.8032 56.1097 41.6839 175.0126 28 T 4.7257 8.8643 112.4785 59.4716 71.9232 173.1312 29 L 4.5748 8.5571 126.5291 54.9712 42.8249 176.4716 30 A 4.2768 9.1740 128.5362 51.7010 19.3145 177.9990 31 D 4.4447 8.8343 118.9815 57.4601 40.8944 177.9612 32 N 4.4501 8.1983 113.8450 52.8746 37.6357 175.3906 33 G 4.0049 8.4601 107.2143 46.5362 0.0000 174.0374 34 K 4.4847 8.6010 117.9049 57.6339 35.2808 176.9231 35 A 4.6590 8.2863 120.8003 52.0329 19.9727 176.6361 36 C 5.2959 9.2608 117.9166 55.2967 40.4623 173.6093 37 I 4.6441 8.8353 125.5665 58.6744 39.1118 173.6409 38 P 4.2354 0.0000 0.0000 62.9352 31.1185 176.8266 39 T 4.0222 8.6806 115.1539 64.2000 69.6393 174.3136 40 G 4.0029 7.2352 108.5220 44.2437 0.0000 170.5223 41 P 4.1769 0.0000 0.0000 63.2361 32.7374 175.2207 42 Y 3.5557 7.6731 115.3851 58.6161 35.2125 168.8886 43 P 4.3266 0.0000 0.0000 62.1179 32.7288 176.4256 44 C 4.3114 8.3626 114.9078 59.7754 29.9926 174.1654 45 G 3.9764 8.9825 109.5278 45.6274 0.0000 172.9707 46 K 4.6191 7.3561 117.6205 54.0444 33.9117 176.5334 47 Q 4.1674 8.6355 122.8012 56.4487 29.2209 177.1257 48 T 4.4162 8.2291 112.4487 60.1640 67.8452 174.8125 49 L 4.3276 8.0206 128.6426 55.4835 42.0211 176.5464 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 -2 R 8.35 4.31 0.00 1.85 1.79 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 -1 K 7.91 4.67 0.00 1.69 1.64 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.09 7.81 0 L 8.95 3.49 0.00 2.01 1.01 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.22 4.43 0.00 3.17 3.15 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 0.00 0.00 0.00 2 S 8.13 4.02 0.00 4.00 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 L 8.20 4.33 0.00 1.67 1.67 0.92 1.00 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 4 D 9.36 4.50 0.00 2.89 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 5 N 8.27 4.25 0.00 2.99 2.80 0.00 0.00 7.57 7.90 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 6 G 8.89 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 7 D 8.26 4.52 0.00 2.82 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 8 C 7.85 4.61 0.00 3.08 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 9 D 8.58 4.50 0.00 2.65 2.56 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 10 Q 7.59 4.40 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.97 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 11 F 6.38 4.75 0.00 3.09 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 12 C 8.85 5.53 0.00 3.14 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 13 H 9.39 5.09 0.00 3.19 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.84 5.00 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 15 E 9.07 4.58 0.00 1.97 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 2.22 2.26 0.00 16 Q 9.64 3.45 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 17 N 8.49 4.29 0.00 2.83 2.90 0.00 0.00 7.02 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 18 S 7.83 4.80 0.00 4.00 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 19 V 8.20 4.22 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 0.77 0.00 0.00 0.94 0.00 0.00 20 V 9.28 4.41 2.21 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 1.01 0.00 0.00 0.95 0.00 0.00 21 C 8.90 5.38 0.00 3.06 2.98 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 22 S 8.68 4.71 0.00 3.99 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 23 C 8.51 4.98 0.00 2.80 2.76 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 24 A 8.75 4.50 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.45 4.10 0.00 1.88 1.94 0.00 3.27 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 G 9.49 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 27 Y 7.66 5.26 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.86 4.73 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 29 L 8.56 4.57 0.00 1.67 1.63 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.17 4.28 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 31 D 8.83 4.44 0.00 2.68 2.76 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 32 N 8.20 4.45 0.00 2.81 2.93 0.00 0.00 6.00 7.00 0.00 0.00 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 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.48 0.00 1.67 1.95 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.56 7.81 35 A 8.29 4.66 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.26 5.30 0.00 2.57 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.84 4.64 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 0.91 0.00 0.00 38 P 0.00 4.24 0.00 1.76 1.62 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 39 T 8.68 4.02 4.20 0.00 0.00 0.00 0.00 0.00 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 40 G 7.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.16 1.88 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 42 Y 7.67 3.56 0.00 3.17 3.03 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 43 P 0.00 4.33 0.00 1.82 1.66 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 44 C 8.36 4.31 0.00 3.20 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 45 G 8.98 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 46 K 7.36 4.62 0.00 1.85 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.60 7.81 47 Q 8.64 4.17 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.24 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.23 4.42 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 49 L 8.02 4.33 0.00 1.64 1.60 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00