NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.1799 8.0433 122.4784 54.8689 44.0241 178.4649 20 K 3.7158 7.9968 117.5759 58.2197 32.0653 176.4545 21 G 3.9051 8.7897 107.7005 46.5907 0.0000 173.5123 22 L 4.3958 7.6533 118.5373 53.9797 43.7229 176.6785 23 V 3.9898 7.2369 116.8044 64.3040 31.8663 174.7917 24 N 4.2059 8.1018 119.5130 54.7764 37.0316 173.8714 25 H 4.9636 7.8927 112.9528 53.5963 33.1539 173.8272 26 R 4.5226 8.5542 121.9816 56.6703 30.9377 175.6154 27 V 4.9507 10.0090 119.7596 59.4618 36.6868 174.6681 28 G 4.3238 8.9705 108.3868 44.4860 0.0000 172.0973 29 V 4.7361 8.9559 125.4289 60.9179 33.7695 174.3753 30 K 4.2493 8.5025 131.1182 55.3116 32.6786 175.6008 31 L 4.4950 8.4261 129.1893 54.0979 42.2391 177.6733 32 K 3.8250 8.4245 124.6356 60.3289 31.9962 178.4779 33 F 4.5190 7.8694 114.5227 58.6289 38.2088 175.2361 34 N 5.0302 7.3237 114.6742 50.7001 42.8346 173.3873 35 S 4.3410 8.5169 118.8597 59.2494 62.7552 174.0187 36 T 4.8432 10.7500 116.1887 62.5031 71.6078 175.0313 37 E 4.6627 8.6732 126.2317 54.7607 33.6808 173.2942 38 Y 5.0808 8.8595 125.3457 57.1239 39.6840 174.6405 39 R 5.0497 9.3520 124.2844 54.3876 32.6627 176.2881 40 G 3.9952 8.3317 108.1578 47.0067 0.0000 171.2151 41 T 4.6501 7.7463 116.3830 62.2377 70.7900 174.8622 42 L 4.5796 8.6285 128.8854 54.1140 41.3766 177.1951 43 V 3.7153 8.2737 124.9302 65.1012 31.7592 175.5753 44 S 4.6280 7.6308 112.2224 58.5644 66.5505 172.4146 45 T 4.6854 7.6236 113.9463 65.9802 71.8176 172.5640 46 D 4.4845 8.6916 117.8564 54.2311 41.2452 177.7770 47 N 4.0275 8.5943 119.2858 56.7760 38.8954 175.9461 48 Y 3.9270 7.8889 114.1184 59.3588 38.1524 177.2466 49 F 3.6839 9.0070 118.1181 58.0024 36.8781 173.5963 50 N 5.2228 8.0981 118.6762 52.6334 40.0478 174.1463 51 L 4.9723 8.9348 122.1799 54.3182 44.9346 174.4436 52 Q 4.5807 8.8759 122.0779 54.2654 31.0245 173.9203 53 L 5.0181 8.8962 128.8441 53.1952 45.4475 174.2574 54 N 5.6896 9.0816 123.8111 51.6991 41.3782 173.8481 55 E 3.9276 8.2279 122.9738 57.4984 27.6348 174.7967 56 A 4.4925 8.1998 121.3518 51.8427 20.6343 177.6003 57 E 5.0418 9.6082 122.8217 54.3462 32.9548 174.1568 58 E 4.7508 8.7942 128.2228 55.5365 31.6143 174.8850 59 F 4.9220 8.8391 125.0742 55.7485 42.6483 174.2487 60 V 4.3949 8.8233 125.4798 60.9567 32.8934 175.3790 61 A 3.9752 9.4830 132.5745 53.2076 16.5162 176.8140 62 G 4.0217 8.4817 103.9137 48.2816 0.0000 174.6751 63 V 4.5063 7.5737 117.2767 60.4112 34.6994 174.2563 64 S 3.9494 8.4406 120.7620 58.1286 62.8962 173.8831 65 H 4.7501 8.9440 126.0644 55.3028 29.3369 175.4898 66 G 3.9485 8.5424 104.6381 45.7286 0.0000 172.9698 67 T 4.9004 8.0120 114.9658 61.6747 70.1607 174.3963 68 L 4.7231 8.2509 126.5980 51.7987 44.0869 179.2876 69 G 4.3366 8.5012 113.2389 46.0599 0.0000 175.4012 70 E 4.9188 9.0294 126.6823 55.6329 30.5463 174.4903 71 I 4.9099 8.8046 117.3812 59.0554 41.5657 174.6045 72 F 4.8893 8.9425 121.9474 56.1223 40.7162 174.7536 73 I 4.3859 8.9009 125.6307 60.0737 39.7152 175.5624 74 R 4.8013 8.5761 126.2747 56.2461 31.0522 178.8354 75 S 3.8740 8.7619 118.6280 62.1370 63.9957 172.8687 76 N 4.2064 7.9531 119.7200 56.4097 39.0205 175.8633 77 N 4.7523 8.9530 114.1363 53.8027 39.1437 174.7170 78 V 4.3676 9.4826 118.8302 61.9281 32.6270 174.5324 79 L 4.5635 8.5326 129.7847 56.4951 42.6081 175.6087 80 Y 5.1006 7.2430 114.5024 56.0003 41.6615 172.5987 81 I 5.3026 8.6913 120.3790 59.6061 40.3335 175.1819 82 R 4.8154 8.9529 122.3935 54.1308 33.2647 173.9043 83 E 4.5022 8.6705 121.3486 55.6960 30.5801 175.4845 84 L 4.3090 9.5942 128.0608 54.9560 42.5539 174.3647 85 P 3.7623 0.0000 0.0000 60.9152 35.3862 175.4054 86 N 4.4127 8.1900 115.4378 54.2406 38.2604 174.1610 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 19 L 8.04 4.18 0.00 1.50 1.55 -0.02 -0.09 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 K 8.00 3.72 0.00 1.91 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.47 7.81 21 G 8.79 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 0.00 0.00 0.00 22 L 7.65 4.40 0.00 1.79 1.63 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.24 3.99 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 0.83 0.00 0.00 0.97 0.00 0.00 24 N 8.10 4.21 0.00 2.84 2.76 0.00 0.00 6.75 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 25 H 7.89 4.96 0.00 3.26 3.16 0.00 5.81 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 26 R 8.55 4.52 0.00 1.90 1.98 0.00 3.11 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 27 V 10.01 4.95 2.20 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 0.74 0.00 0.00 0.94 0.00 0.00 28 G 8.97 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 0.00 0.00 0.00 0.00 29 V 8.96 4.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 30 K 8.50 4.25 0.00 0.86 0.74 0.00 1.28 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.62 1.05 7.81 31 L 8.43 4.50 0.00 1.10 0.80 0.72 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.42 3.83 0.00 1.86 1.97 0.00 1.85 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 33 F 7.87 4.52 0.00 3.07 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 34 N 7.32 5.03 0.00 2.87 2.69 0.00 0.00 6.74 7.45 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 35 S 8.52 4.34 0.00 3.85 4.07 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 36 T 10.75 4.84 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 0.68 0.00 0.00 37 E 8.67 4.66 0.00 1.80 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 38 Y 8.86 5.08 0.00 3.02 2.86 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 39 R 9.35 5.05 0.00 1.75 1.77 0.00 2.21 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 40 G 8.33 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 T 7.75 4.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 42 L 8.63 4.58 0.00 1.77 1.56 0.97 0.58 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 43 V 8.27 3.72 1.94 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 0.76 0.00 0.00 0.86 0.00 0.00 44 S 7.63 4.63 0.00 3.89 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 45 T 7.62 4.69 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 46 D 8.69 4.48 0.00 2.82 2.74 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 0.00 0.00 0.00 0.00 47 N 8.59 4.03 0.00 2.91 2.97 0.00 0.00 6.98 7.46 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 48 Y 7.89 3.93 0.00 3.30 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 49 F 9.01 3.68 0.00 3.27 3.21 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 50 N 8.10 5.22 0.00 2.94 2.84 0.00 0.00 6.52 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 51 L 8.93 4.97 0.00 1.68 1.67 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.88 4.58 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 53 L 8.90 5.02 0.00 1.64 1.34 0.95 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.08 5.69 0.00 2.63 2.58 0.00 0.00 7.21 7.69 0.00 0.00 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 8.23 3.93 0.00 2.15 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 2.26 2.23 0.00 56 A 8.20 4.49 1.30 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 0.00 0.00 57 E 9.61 5.04 0.00 2.13 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 0.00 1.92 2.30 0.00 58 E 8.79 4.75 0.00 2.34 1.84 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 2.18 2.11 0.00 59 F 8.84 4.92 0.00 3.25 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.82 4.39 1.65 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 0.86 0.00 0.00 0.66 0.00 0.00 61 A 9.48 3.98 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 8.48 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.57 4.51 2.20 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 0.96 0.00 0.00 1.01 0.00 0.00 64 S 8.44 3.95 0.00 3.31 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.94 4.75 0.00 3.10 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.54 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.01 4.90 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 1.31 0.00 0.00 68 L 8.25 4.72 0.00 1.54 1.57 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.50 4.34 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 0.00 70 E 9.03 4.92 0.00 1.96 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 2.38 2.27 0.00 71 I 8.80 4.91 1.78 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.82 0.00 0.00 72 F 8.94 4.89 0.00 2.83 3.04 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 73 I 8.90 4.39 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 0.98 0.00 0.00 74 R 8.58 4.80 0.00 1.80 1.95 0.00 3.99 0.00 0.00 3.41 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.46 0.00 75 S 8.76 3.87 0.00 3.67 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 76 N 7.95 4.21 0.00 2.78 2.97 0.00 0.00 6.91 8.00 0.00 0.00 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 N 8.95 4.75 0.00 2.81 3.05 0.00 0.00 6.54 7.72 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 78 V 9.48 4.37 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 0.83 0.00 0.00 1.06 0.00 0.00 79 L 8.53 4.56 0.00 1.65 1.66 0.97 0.91 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 80 Y 7.24 5.10 0.00 2.98 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 81 I 8.69 5.30 1.99 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 1.57 0.99 1.03 0.00 0.00 82 R 8.95 4.82 0.00 1.89 2.05 0.00 2.82 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 83 E 8.67 4.50 0.00 1.98 1.88 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 2.27 2.34 0.00 84 L 9.59 4.31 0.00 1.55 1.55 0.87 1.06 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 85 P 0.00 3.76 0.00 2.05 2.05 0.00 3.64 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 1.98 2.14 0.00 86 N 8.19 4.41 0.00 2.79 3.10 0.00 0.00 6.62 7.56 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