NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8405 8.3549 109.7316 46.4697 0.0000 175.4116 2 S 3.3118 8.6323 117.7740 57.6045 61.8934 170.4901 3 F 4.0820 9.6671 125.2560 60.2682 40.3770 175.4639 4 T 4.4742 6.9376 122.2940 62.3563 72.7995 173.5469 5 M 4.5438 7.9381 122.8504 53.2174 31.9000 174.3129 6 P 4.3213 0.0000 0.0000 62.7406 31.3662 177.7827 7 G 3.7653 7.6464 105.2787 46.5555 0.0000 176.7644 8 L 3.5047 7.6534 120.1152 54.3587 41.0301 174.2170 9 V 4.2389 7.9555 116.3627 61.7296 33.0550 172.4722 10 D 4.5973 8.1881 123.4056 53.2192 44.8519 174.8518 11 S 4.5431 8.3103 116.5811 58.4926 63.7859 174.5684 12 N 4.9300 8.1311 118.5402 50.5392 36.5614 172.0242 13 P 4.6057 0.0000 0.0000 62.7460 33.9103 175.8298 14 A 4.6742 7.9491 119.1245 49.8996 21.9368 174.2365 15 P 4.4415 0.0000 0.0000 62.1016 32.0694 174.6395 16 P 4.5621 0.0000 0.0000 61.2103 33.4957 173.9879 17 E 3.7726 8.5493 118.5680 58.1431 28.9188 177.5590 18 S 4.5464 8.1783 114.7392 58.5691 65.2385 177.0944 19 Q 4.5932 8.4478 131.0022 54.0644 29.1811 173.2762 20 E 4.6024 7.7555 117.5004 55.7568 31.7996 173.8646 21 K 4.5875 8.4199 114.2095 55.6699 34.9709 176.4013 22 K 3.9491 8.6407 119.6838 55.7606 32.4693 174.4999 23 P 4.5429 0.0000 0.0000 62.2038 32.4177 174.5515 24 L 4.9227 7.8824 118.7327 53.2215 45.5499 174.9459 25 K 4.7636 8.4390 120.3557 53.9445 34.3801 175.7866 26 P 4.7356 0.0000 0.0000 64.6850 31.9137 177.1870 27 C 4.3603 8.1750 113.3340 60.1919 30.0570 173.9278 28 C 4.5998 7.8396 116.0091 60.3397 30.0615 174.2695 29 A 4.1220 8.3639 121.6070 52.5592 18.9528 175.8701 30 C 4.4208 8.6658 114.5551 57.2309 35.4421 173.8155 31 P 4.1168 0.0000 0.0000 65.3701 31.4697 177.6599 32 E 3.9143 8.1060 117.7774 59.7707 29.5731 179.1815 33 T 3.8930 7.8132 110.8470 63.8435 68.8856 176.2028 34 K 3.4372 8.2102 122.9488 58.9636 32.0898 178.4233 35 K 3.7896 8.2805 119.9813 59.7106 32.1054 178.5586 36 A 3.9572 7.8102 120.4187 54.9458 18.2988 179.4256 37 R 3.7394 8.3221 117.6471 59.9809 30.1785 178.6734 38 D 4.3881 8.3516 118.3579 56.9790 40.7738 178.7132 39 A 3.9546 8.3411 122.0419 55.2596 18.4198 178.7150 40 C 4.1965 8.1979 117.0053 59.9837 41.8482 175.9390 41 I 3.6955 7.6102 120.8863 64.1123 36.5045 178.3753 42 I 3.8226 7.8137 120.2714 64.3265 36.9388 177.9996 43 E 4.1914 8.1960 118.8525 58.6535 29.3388 177.2741 44 K 4.3682 8.6934 115.5676 58.4643 35.1406 175.8517 45 G 4.4479 7.0346 103.0180 42.8577 0.0000 174.1702 46 E 4.0676 8.5275 119.2893 58.6001 30.1226 178.9621 47 E 3.8900 8.2617 116.9291 59.4847 29.4268 177.2846 48 H 4.6457 7.6913 112.9434 56.2966 29.0130 175.4255 49 C 4.7504 8.4558 115.3061 56.3470 38.1527 176.2447 50 G 3.4014 8.1839 110.1170 47.7932 0.0000 175.6954 51 H 4.3277 8.1974 116.8876 58.5795 27.7966 177.3684 52 L 4.1119 7.5686 121.7160 57.3500 41.5496 179.2325 53 I 3.7919 7.4466 119.4526 64.1760 37.0964 178.1991 54 E 3.8785 8.8422 119.5392 59.4724 29.2839 179.0638 55 A 3.9749 7.6190 119.9231 55.5467 18.3361 179.2626 56 H 4.1194 7.9775 116.0045 59.1528 29.8909 177.3302 57 K 3.6896 8.4827 120.6570 59.9189 31.9447 179.1638 58 E 3.9183 8.3223 118.4496 59.1958 29.1103 178.0727 59 C 3.9746 7.6416 117.7556 60.3196 43.1383 175.1849 60 M 3.5702 7.8414 119.5891 58.4176 31.5430 178.6280 61 R 3.9212 8.1096 118.5007 59.6373 29.8859 177.9324 62 A 4.0710 7.5812 119.0278 55.1785 18.2982 178.1470 63 L 4.3476 7.9730 114.6881 55.0904 41.7524 177.1229 64 G 3.8822 8.3927 106.4307 46.5542 0.0000 173.7760 65 F 4.8088 8.0517 116.1813 55.3901 41.6365 177.0658 66 K 4.4370 8.3829 124.6585 55.0802 30.6242 177.0106 67 I 4.2499 7.5992 122.4091 61.3439 38.1623 175.3251 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 G 8.35 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 2 S 8.63 3.31 0.00 4.13 3.94 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 3 F 9.67 4.08 0.00 3.00 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 4 T 6.94 4.47 4.04 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 1.11 0.00 0.00 5 M 7.94 4.54 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 6 P 0.00 4.32 0.00 2.17 2.06 0.00 3.63 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 7 G 7.65 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 0.00 0.00 0.00 8 L 7.65 3.50 0.00 1.77 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.96 4.24 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 0.60 0.00 0.00 0.93 0.00 0.00 10 D 8.19 4.60 0.00 2.64 2.59 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 0.00 0.00 0.00 0.00 11 S 8.31 4.54 0.00 3.86 3.79 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 N 8.13 4.93 0.00 2.76 2.78 0.00 0.00 6.08 7.74 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 13 P 0.00 4.61 0.00 2.34 2.13 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 14 A 7.95 4.67 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 15 P 0.00 4.44 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 16 P 0.00 4.56 0.00 2.21 2.14 0.00 3.80 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 1.96 1.98 0.00 17 E 8.55 3.77 0.00 2.00 2.04 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 2.34 2.38 0.00 18 S 8.18 4.55 0.00 3.80 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 19 Q 8.45 4.59 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 20 E 7.76 4.60 0.00 1.93 1.81 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 2.20 2.33 0.00 21 K 8.42 4.59 0.00 1.71 1.74 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 22 K 8.64 3.95 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 23 P 0.00 4.54 0.00 2.10 2.02 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 24 L 7.88 4.92 0.00 1.72 1.92 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.44 4.76 0.00 1.90 1.71 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 26 P 0.00 4.74 0.00 2.31 2.57 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 27 C 8.18 4.36 0.00 3.13 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 28 C 7.84 4.60 0.00 3.15 3.02 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 29 A 8.36 4.12 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 30 C 8.67 4.42 0.00 3.02 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 31 P 0.00 4.12 0.00 2.25 2.47 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 32 E 8.11 3.91 0.00 2.20 2.24 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 2.35 2.36 0.00 33 T 7.81 3.89 4.31 0.00 0.00 0.00 0.00 0.00 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 34 K 8.21 3.44 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.28 1.65 7.81 35 K 8.28 3.79 0.00 1.96 1.94 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 36 A 7.81 3.96 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.32 3.74 0.00 1.91 2.00 0.00 3.12 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 38 D 8.35 4.39 0.00 2.85 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 39 A 8.34 3.95 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 40 C 8.20 4.20 0.00 3.21 3.26 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 41 I 7.61 3.70 2.04 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 1.62 0.78 0.91 0.00 0.00 42 I 7.81 3.82 2.01 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 1.52 0.59 0.91 0.00 0.00 43 E 8.20 4.19 0.00 2.17 2.01 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 2.34 2.45 0.00 44 K 8.69 4.37 0.00 1.72 1.77 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.32 7.81 45 G 7.03 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.53 4.07 0.00 2.15 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 0.00 2.36 2.29 0.00 47 E 8.26 3.89 0.00 2.00 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 0.00 2.22 1.94 0.00 48 H 7.69 4.65 0.00 3.36 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.46 4.75 0.00 3.10 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 50 G 8.18 3.40 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 0.00 51 H 8.20 4.33 0.00 3.38 3.62 0.00 5.45 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.57 4.11 0.00 1.71 1.69 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.45 3.79 1.97 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 1.63 0.84 0.91 0.00 0.00 54 E 8.84 3.88 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 55 A 7.62 3.97 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 56 H 7.98 4.12 0.00 3.35 3.50 0.00 5.81 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 57 K 8.48 3.69 0.00 1.99 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.63 7.81 58 E 8.32 3.92 0.00 1.95 1.97 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 2.53 2.44 0.00 59 C 7.64 3.97 0.00 3.02 3.29 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 60 M 7.84 3.57 0.00 0.76 1.81 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.99 0.00 61 R 8.11 3.92 0.00 2.05 1.98 0.00 3.33 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 62 A 7.58 4.07 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 63 L 7.97 4.35 0.00 2.17 2.00 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.39 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.05 4.81 0.00 3.07 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 66 K 8.38 4.44 0.00 1.72 1.79 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.51 7.81 67 I 7.60 4.25 1.92 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 1.46 0.86 0.89 0.00 0.00