NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1807 8.3044 120.3264 54.6214 33.9820 171.5963 2 M 2.7780 8.0884 125.8884 54.2747 30.2038 174.7013 3 T 4.1270 8.4564 124.4161 61.1772 66.5063 171.4685 4 A 4.1307 7.8389 126.4843 51.1887 19.1654 178.5943 5 S 4.4152 8.5042 118.8672 57.7254 60.7432 172.8411 6 D 4.7758 8.3161 123.0772 53.1953 42.6672 176.2876 7 R 4.4654 7.6727 118.8367 54.4816 30.8335 174.0287 8 L 4.4148 8.0348 123.2054 54.7596 42.1110 176.6795 9 G 3.8642 8.4537 113.5093 44.2901 0.0000 174.2758 10 A 4.1939 7.6840 122.2649 54.9740 19.2934 178.3494 11 D 4.4370 7.3369 115.6631 53.9708 40.9464 175.0860 12 P 4.3220 0.0000 0.0000 65.7341 31.7580 175.4585 13 T 4.2568 7.0249 110.4163 61.8790 69.8341 172.3252 14 Q 4.2214 8.3216 120.9802 54.0094 28.9500 172.6963 15 A 4.1756 8.1730 123.3916 50.3555 18.2578 178.1150 16 A 4.2099 8.2698 125.9214 53.4782 16.3678 176.6414 17 S 4.3527 8.1079 116.7661 57.8658 61.4063 172.9199 18 S 4.5998 7.9462 118.7227 55.6274 62.3204 173.0919 19 P 4.6287 0.0000 0.0000 61.9448 29.1259 177.4158 20 G 3.8160 8.2468 116.0182 49.3088 0.0000 172.4610 21 G 3.8884 7.4470 105.3843 45.5734 0.0000 173.5202 22 A 4.2841 7.6223 123.8375 50.5687 18.2209 177.5965 23 R 4.2680 8.3721 122.2563 55.3514 31.2693 175.5521 24 A 4.4783 8.4958 128.7787 50.9326 19.1553 176.1588 25 V 4.4288 8.1162 115.4887 60.2057 34.0578 175.9100 26 S 4.8251 8.3301 116.8277 56.5304 65.3594 173.3478 27 I 4.5128 8.0714 121.5171 59.7264 39.4264 176.1441 28 V 3.9334 8.5755 119.9725 60.6040 30.0739 175.1834 29 G 4.0511 9.3799 116.2927 44.9515 0.0000 172.6597 30 N 4.7498 7.6334 113.8418 52.5975 38.7900 174.0605 31 Q 4.6682 7.7946 119.9681 55.2357 31.4837 174.0043 32 I 4.5728 7.7268 119.2513 60.0681 40.8223 172.9005 33 D 4.8089 8.3433 124.8784 52.7467 42.5890 177.2277 34 S 4.2560 8.8191 120.5424 61.8027 62.2126 176.5830 35 R 4.0774 7.8186 118.7026 59.0681 29.7870 178.4715 36 E 4.1206 7.8698 118.1300 59.2862 29.4974 179.1889 37 L 4.0019 7.6590 117.2922 57.4860 42.1246 178.7015 38 F 4.9318 8.0296 116.2382 57.3648 39.2846 178.2825 39 T 3.8332 8.0695 117.8806 64.2918 66.8084 173.7747 40 V 3.9273 6.4719 116.8643 62.4573 32.5984 176.7640 41 D 4.7920 7.6367 117.5522 53.3363 43.6373 176.5013 42 R 4.8793 8.7640 118.2310 55.7658 31.1511 174.4051 43 E 5.4937 8.4331 116.6671 54.4582 32.9169 174.2580 44 I 4.6786 9.3709 126.6595 59.5113 41.1402 174.4332 45 V 4.8285 8.3812 124.8454 61.4525 33.8001 175.2186 46 I 4.6042 8.9514 126.9615 59.5355 40.4875 174.2280 47 A 4.8579 8.6998 129.4623 51.5483 19.5095 176.6524 48 H 4.4742 9.3803 121.8720 56.6857 31.2319 173.0663 49 G 4.0499 9.3987 121.6842 44.6273 0.0000 171.2997 50 D 4.6225 8.1006 120.3029 52.7321 44.3973 174.3860 51 D 4.8272 7.7513 117.1852 53.0485 43.1591 174.5055 52 R 5.1992 7.9506 119.4360 54.6448 33.5070 174.7309 53 Y 4.7450 9.3300 120.9062 56.2682 42.1508 174.9237 54 R 5.0407 8.9573 118.5936 54.6281 34.0547 174.6503 55 L 4.9425 9.1818 128.2563 54.1098 43.3109 175.2377 56 R 5.1828 9.0368 127.0578 54.4648 33.2805 173.8202 57 L 4.8044 8.0393 127.2729 53.3939 43.9866 175.6588 58 T 4.2462 8.6681 115.7224 61.4316 70.4233 178.8355 59 S 3.0576 7.7817 114.9140 58.9100 64.9020 173.0165 60 Q 4.4348 7.1872 124.0109 57.5389 31.7385 175.5818 61 N 4.5004 7.8506 114.8369 54.8994 39.2894 176.1498 62 K 4.4612 7.9262 114.9031 56.0249 35.4455 174.0001 63 L 5.2783 8.0950 117.7527 54.6499 43.8772 175.1378 64 I 4.6020 8.8345 112.7588 60.1331 41.5255 172.8990 65 L 5.1533 8.2219 123.8099 54.2503 44.0465 174.8921 66 T 4.6320 8.5781 116.7680 61.5051 71.5767 173.7173 67 K 4.1706 8.3118 123.6701 56.7715 33.2753 176.4048 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 4.18 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 M 8.09 2.78 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 3 T 8.46 4.13 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 4 A 7.84 4.13 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 5 S 8.50 4.42 0.00 3.84 3.82 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 0.00 0.00 0.00 6 D 8.32 4.78 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 7 R 7.67 4.47 0.00 1.72 1.82 0.00 3.28 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 8 L 8.03 4.41 0.00 1.75 1.58 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.45 3.86 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 0.00 0.00 0.00 10 A 7.68 4.19 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 11 D 7.34 4.44 0.00 2.70 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 12 P 0.00 4.32 0.00 2.17 2.18 0.00 3.80 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 1.98 1.95 0.00 13 T 7.02 4.26 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 14 Q 8.32 4.22 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 15 A 8.17 4.18 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 16 A 8.27 4.21 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 17 S 8.11 4.35 0.00 3.87 3.85 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 18 S 7.95 4.60 0.00 3.81 3.80 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 19 P 0.00 4.63 0.00 2.21 2.21 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 20 G 8.25 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.45 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.62 4.28 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 23 R 8.37 4.27 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 24 A 8.50 4.48 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 25 V 8.12 4.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 26 S 8.33 4.83 0.00 3.94 3.82 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 0.00 0.00 0.00 27 I 8.07 4.51 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.96 0.00 0.00 28 V 8.58 3.93 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 0.65 0.00 0.00 0.97 0.00 0.00 29 G 9.38 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.63 4.75 0.00 2.79 2.83 0.00 0.00 5.77 7.38 0.00 0.00 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 Q 7.79 4.67 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 32 I 7.73 4.57 1.86 0.00 0.00 0.83 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 0.82 0.91 0.00 0.00 33 D 8.34 4.81 0.00 2.80 2.52 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 34 S 8.82 4.26 0.00 4.04 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 35 R 7.82 4.08 0.00 2.21 2.03 0.00 3.41 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 36 E 7.87 4.12 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 37 L 7.66 4.00 0.00 1.21 1.11 0.78 0.69 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 38 F 8.03 4.93 0.00 3.10 3.09 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 0.00 0.00 0.00 0.00 39 T 8.07 3.83 4.39 0.00 0.00 0.00 0.00 0.00 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 40 V 6.47 3.93 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 0.78 0.00 0.00 0.94 0.00 0.00 41 D 7.64 4.79 0.00 2.75 2.60 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 0.00 0.00 0.00 42 R 8.76 4.88 0.00 1.91 1.82 0.00 3.04 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 43 E 8.43 5.49 0.00 2.04 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 2.27 2.44 0.00 44 I 9.37 4.68 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.16 0.80 0.00 0.00 45 V 8.38 4.83 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 0.89 0.00 0.00 0.96 0.00 0.00 46 I 8.95 4.60 1.94 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 1.15 0.56 0.88 0.00 0.00 47 A 8.70 4.86 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 48 H 9.38 4.47 0.00 3.15 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.40 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.62 0.00 2.56 2.60 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 0.00 0.00 0.00 51 D 7.75 4.83 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 5.20 0.00 1.63 1.78 0.00 3.23 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 53 Y 9.33 4.74 0.00 2.95 2.89 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 0.00 0.00 0.00 54 R 8.96 5.04 0.00 1.91 1.86 0.00 3.12 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 55 L 9.18 4.94 0.00 1.81 1.64 1.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.04 5.18 0.00 1.96 1.73 0.00 3.35 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 57 L 8.04 4.80 0.00 0.27 0.60 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.67 4.25 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 59 S 7.78 3.06 0.00 4.18 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 60 Q 7.19 4.43 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 61 N 7.85 4.50 0.00 2.74 2.78 0.00 0.00 6.67 7.40 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 62 K 7.93 4.46 0.00 1.90 1.88 0.00 1.24 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 63 L 8.10 5.28 0.00 1.73 1.50 1.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.83 4.60 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 1.11 0.56 0.91 0.00 0.00 65 L 8.22 5.15 0.00 1.70 1.62 1.12 0.99 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 66 T 8.58 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 67 K 8.31 4.17 0.00 1.68 1.53 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.19 1.43 7.81