NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3093 8.2649 123.5818 50.9783 19.6498 176.6513 7 P 4.2116 0.0000 0.0000 61.5464 32.0124 175.2847 8 D 4.8288 9.0531 123.1824 52.0242 43.9075 176.2489 9 F 4.0556 8.8016 119.6458 62.4870 38.9967 177.2739 10 H 4.4145 8.2636 114.9252 58.9053 28.4927 177.3091 11 D 4.3235 8.6676 120.1232 57.3670 40.7239 178.7711 12 K 3.8080 7.8604 117.9660 58.5617 32.2619 178.0893 13 Y 4.7048 8.0526 114.6662 57.1325 39.4347 177.8736 14 G 3.8316 8.2004 108.0035 48.1870 0.0000 175.4015 15 N 4.3303 8.1932 118.1587 55.9013 38.4729 177.2424 16 A 4.0432 7.9111 121.7107 54.8411 18.6888 179.4417 17 V 3.5687 8.1387 117.2210 66.1767 31.5060 177.9514 18 L 3.9349 8.2293 119.6936 58.0963 42.0243 178.4158 19 A 4.0251 8.0245 120.8536 55.5258 18.4015 179.7306 20 S 4.3999 8.5932 112.5539 60.7814 63.3192 176.8272 21 G 3.6975 8.3660 109.6806 47.7201 0.0000 175.5341 22 A 4.0501 8.3132 123.8162 55.0972 18.4419 179.8334 23 T 3.8588 7.9334 114.1912 66.8377 68.5952 176.5705 24 F 4.3430 8.4340 122.5061 61.5371 39.4203 176.7430 25 C 3.9931 8.2855 118.2435 62.4934 31.4287 175.6372 26 V 3.6321 7.9646 119.6487 65.8538 31.0738 177.8840 27 A 4.0280 8.1876 120.7250 55.2921 18.2670 180.0439 28 V 3.6484 7.7416 117.5155 64.3350 31.5422 178.6108 29 W 3.9754 8.2153 119.7800 59.3259 28.5203 178.5939 30 V 3.6780 8.1594 118.3945 66.1800 30.8509 177.5655 31 Y 3.9605 8.2330 119.1863 60.8035 38.4865 177.1712 32 M 3.8541 8.1767 117.8608 58.9211 32.3632 177.9069 33 A 4.7172 8.2527 119.3685 54.3675 18.6881 177.9594 34 T 4.5950 7.5026 103.8258 61.2785 70.2738 174.5240 35 Q 4.4377 8.0882 119.2776 55.4744 30.0027 175.6861 36 I 4.2370 7.6925 109.9737 60.3405 38.0193 176.0855 37 G 3.8669 8.3193 107.4272 45.7422 0.0000 174.0255 38 I 3.3435 7.3985 119.6343 61.1924 37.3859 175.2892 39 E 4.3235 8.1909 125.6079 54.6358 29.3358 175.4675 40 W 4.2448 8.7653 127.2915 57.1802 30.2451 176.1998 41 N 4.1280 8.4370 115.7815 53.9227 36.5720 170.9952 42 P 4.5910 0.0000 0.0000 61.7915 33.0290 176.7783 43 S 4.2448 8.3307 113.6315 57.8000 62.7993 172.4764 44 P 4.3556 0.0000 0.0000 64.4555 31.6904 176.3057 45 V 3.5976 7.5189 119.9058 64.6007 31.3742 176.2154 46 G 4.0579 9.1185 115.4887 45.4988 0.0000 173.5799 47 R 4.4257 8.6000 114.5140 56.1392 31.5269 176.0320 48 V 4.1690 7.6263 116.8141 61.2686 32.9091 174.8640 49 T 4.3796 8.2493 123.4342 61.4651 68.8423 173.1741 50 P 4.4498 0.0000 0.0000 62.5188 32.0536 175.8431 51 K 4.6975 8.2215 121.1219 54.1099 35.3500 175.8547 52 E 4.1739 8.8497 124.4446 56.4829 29.9091 176.8773 53 W 4.7383 8.0847 117.9035 56.6687 30.4832 175.4310 54 R 3.5556 6.7994 122.8032 56.1515 29.3736 175.6455 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 6 A 8.26 4.31 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 7 P 0.00 4.21 0.00 2.06 1.95 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 8 D 9.05 4.83 0.00 2.94 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 9 F 8.80 4.06 0.00 3.20 2.95 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 10 H 8.26 4.41 0.00 3.40 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.67 4.32 0.00 2.68 2.68 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 12 K 7.86 3.81 0.00 0.89 0.74 0.00 1.34 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.38 7.81 13 Y 8.05 4.70 0.00 2.23 2.63 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 0.00 0.00 0.00 0.00 14 G 8.20 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.19 4.33 0.00 2.73 2.89 0.00 0.00 7.00 7.35 0.00 0.00 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 7.91 4.04 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 17 V 8.14 3.57 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 1.09 0.00 0.00 1.10 0.00 0.00 18 L 8.23 3.93 0.00 1.92 1.83 0.95 1.37 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 19 A 8.02 4.03 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.59 4.40 0.00 4.07 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 21 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.05 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 3.86 4.33 0.00 0.00 0.00 0.00 0.00 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 24 F 8.43 4.34 0.00 3.12 3.39 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 0.00 25 C 8.29 3.99 0.00 3.27 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 26 V 7.96 3.63 2.12 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 0.99 0.00 0.00 0.96 0.00 0.00 27 A 8.19 4.03 1.39 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 0.00 0.00 0.00 28 V 7.74 3.65 1.62 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 0.46 0.00 0.00 0.74 0.00 0.00 29 W 8.22 3.98 0.00 3.54 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.68 2.37 0.00 0.00 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 1.01 0.00 0.00 31 Y 8.23 3.96 0.00 3.10 3.11 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 32 M 8.18 3.85 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 33 A 8.25 4.72 1.52 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 0.00 0.00 34 T 7.50 4.60 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 1.23 0.00 0.00 35 Q 8.09 4.44 0.00 0.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.14 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 36 I 7.69 4.24 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.65 0.00 0.00 37 G 8.32 3.87 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 0.00 0.00 0.00 38 I 7.40 3.34 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.36 -0.36 0.00 0.00 39 E 8.19 4.32 0.00 1.82 1.75 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 2.20 2.41 0.00 40 W 8.77 4.24 0.00 3.31 3.22 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 0.00 41 N 8.44 4.13 0.00 2.85 2.87 0.00 0.00 7.24 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 42 P 0.00 4.59 0.00 2.23 2.08 0.00 3.91 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 2.02 2.00 0.00 43 S 8.33 4.24 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.26 2.29 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.52 3.60 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 0.76 0.00 0.00 0.93 0.00 0.00 46 G 9.12 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.43 0.00 1.84 2.00 0.00 3.07 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 48 V 7.63 4.17 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 0.85 0.00 0.00 0.94 0.00 0.00 49 T 8.25 4.38 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 50 P 0.00 4.45 0.00 2.08 2.04 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 51 K 8.22 4.70 0.00 1.69 1.67 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.46 7.81 52 E 8.85 4.17 0.00 1.97 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 2.30 2.20 0.00 53 W 8.08 4.74 0.00 3.49 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 6.80 3.56 0.00 0.67 1.26 0.00 3.05 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.00