NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1365 8.2549 117.2593 54.8102 30.8552 175.1431 2 P 3.9871 0.0000 0.0000 61.9691 31.9585 175.7740 3 D 4.3042 8.3727 120.2612 57.2289 42.0605 178.2494 4 F 4.3259 7.9508 114.6869 59.7421 37.5762 177.3700 5 C 4.7279 7.2552 115.4746 58.5484 39.9977 174.5063 6 L 4.3080 7.9108 119.8230 54.2523 42.3001 176.7032 7 E 4.2128 7.7597 119.4151 55.3567 30.0527 175.0816 8 P 4.5746 0.0000 0.0000 61.1559 32.5011 174.3353 9 P 3.6434 0.0000 0.0000 62.7043 31.3738 175.2526 10 Y 4.6377 7.8628 121.2619 56.0316 40.4394 175.3703 11 T 4.1948 8.3312 125.4495 64.7584 68.8979 176.3084 12 G 3.7623 6.8125 104.5890 44.1791 0.0000 171.5281 13 P 4.2571 0.0000 0.0000 65.0844 31.6088 177.6136 14 C 4.4757 7.8594 116.0093 56.8743 40.6279 173.1775 15 K 4.1330 8.1877 117.8355 56.6609 32.9504 176.2910 16 A 4.1751 7.8300 122.6714 52.0554 19.8824 177.1915 17 R 4.8358 8.0806 116.9386 54.2113 30.1823 174.3387 18 I 4.4399 8.2889 122.5430 59.3835 40.1310 175.1270 19 I 4.3447 8.1379 126.6921 61.0965 38.0550 175.3284 20 R 4.6562 8.3714 124.1505 54.8998 35.2591 173.4063 21 Y 6.0725 9.6409 117.9407 56.0003 41.0401 175.1778 22 F 5.6830 8.7156 115.4478 55.6421 42.1052 172.4506 23 Y 4.4236 9.7547 122.6270 56.9239 40.2396 174.0135 24 N 4.7367 8.3885 126.3768 51.5109 38.5464 174.8131 25 A 3.9203 8.4851 129.2558 55.0822 18.7332 178.9056 26 K 4.0170 8.1782 113.5205 59.0850 32.2325 177.9058 27 A 4.1793 7.9641 119.8804 51.6420 19.6462 176.8273 28 G 3.8780 8.2215 103.9095 45.3294 0.0000 173.0273 29 L 4.5055 6.4872 117.9231 53.8464 45.9804 174.9045 30 C 4.9711 8.6244 120.9122 56.4743 42.5231 172.6953 31 Q 4.7869 8.5020 120.5695 54.6822 33.4458 174.0042 32 T 5.1121 8.4538 110.2849 61.0869 71.0677 173.7444 33 F 4.9182 8.6282 115.7663 56.0481 41.7155 172.9486 34 V 4.2181 8.4103 120.4076 62.2417 32.3686 174.2474 35 Y 4.7877 9.0125 130.2487 55.9603 40.4105 176.5839 36 G 3.7983 8.8882 113.8579 47.1950 0.0000 175.0546 37 G 3.7974 6.3509 106.6485 45.3294 0.0000 172.1938 38 C 4.8541 7.2292 111.9344 55.0717 44.4194 173.0787 39 R 3.8086 8.7199 116.0407 57.3116 26.9773 176.9481 40 A 4.3252 8.2113 119.0287 52.2869 19.2376 177.9601 41 K 4.4313 8.1927 120.2783 54.4758 34.3984 177.1660 42 R 3.4833 8.1614 118.4816 59.3055 30.3443 177.9114 43 N 4.7642 7.6648 117.2679 51.7633 37.2531 174.6770 44 N 5.0439 6.8397 116.6204 52.6873 41.4359 172.9770 45 F 4.9562 9.6277 125.5857 55.4099 41.6115 176.9679 46 K 4.2207 9.0252 126.4752 58.3151 32.8152 177.2575 47 S 4.7997 8.0042 112.5592 56.0870 65.2565 174.4699 48 A 3.3752 7.9602 130.2653 54.7682 18.1841 179.3792 49 E 3.7476 7.8675 117.5674 59.5627 29.7024 178.6366 50 D 4.2969 7.7283 118.5252 57.3634 40.7423 177.6075 51 C 2.4500 7.5695 118.7313 59.5161 44.6822 175.7000 52 M 3.7137 7.8783 118.3090 57.9097 30.5175 178.4617 53 R 3.8320 7.3936 119.1225 59.4585 30.3803 178.2048 54 T 4.0154 7.7720 114.6732 66.2952 68.6575 175.4654 55 C 4.4035 7.9229 116.0044 57.0033 41.4615 174.1948 56 G 3.6142 7.5751 113.8288 45.6190 0.0000 173.3078 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 R 8.25 4.14 0.00 1.71 1.80 0.00 2.95 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 2 P 0.00 3.99 0.00 1.03 1.66 0.00 3.31 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 3 D 8.37 4.30 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.33 0.00 3.29 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 5 C 7.26 4.73 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 6 L 7.91 4.31 0.00 1.79 1.76 1.01 0.97 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 7 E 7.76 4.21 0.00 2.04 1.90 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 2.39 2.48 0.00 8 P 0.00 4.57 0.00 2.10 2.03 0.00 3.78 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 1.96 1.94 0.00 9 P 0.00 3.64 0.00 0.64 0.49 0.00 3.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.86 4.64 0.00 2.76 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 11 T 8.33 4.19 4.13 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 1.20 0.00 0.00 12 G 6.81 3.76 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 0.00 0.00 0.00 13 P 0.00 4.26 0.00 2.17 2.19 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.86 4.48 0.00 2.86 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 15 K 8.19 4.13 0.00 1.77 1.84 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.41 7.81 16 A 7.83 4.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.84 0.00 1.59 1.77 0.00 3.15 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.29 4.44 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.93 0.00 0.00 19 I 8.14 4.34 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.61 0.00 0.00 20 R 8.37 4.66 0.00 0.79 1.69 0.00 3.40 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 21 Y 9.64 6.07 0.00 3.21 3.06 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 22 F 8.72 5.68 0.00 3.11 2.96 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 0.00 0.00 0.00 23 Y 9.75 4.42 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 24 N 8.39 4.74 0.00 2.18 2.44 0.00 0.00 6.64 7.87 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 25 A 8.49 3.92 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 26 K 8.18 4.02 0.00 1.86 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 27 A 7.96 4.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 29 L 6.49 4.51 0.00 1.51 1.29 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.62 4.97 0.00 2.90 3.08 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 0.00 0.00 0.00 0.00 31 Q 8.50 4.79 0.00 1.48 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 32 T 8.45 5.11 4.10 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 0.00 0.00 0.00 1.04 0.00 0.00 33 F 8.63 4.92 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 34 V 8.41 4.22 2.07 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 0.70 0.00 0.00 0.89 0.00 0.00 35 Y 9.01 4.79 0.00 2.53 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 36 G 8.89 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 0.00 0.00 0.00 37 G 6.35 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 0.00 0.00 0.00 38 C 7.23 4.85 0.00 3.06 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 39 R 8.72 3.81 0.00 2.14 2.37 0.00 3.32 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 A 8.21 4.33 1.05 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 41 K 8.19 4.43 0.00 1.71 1.79 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.09 1.12 7.81 42 R 8.16 3.48 0.00 1.34 0.66 0.00 2.77 0.00 0.00 2.88 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 43 N 7.66 4.76 0.00 3.11 2.86 0.00 0.00 6.94 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 44 N 6.84 5.04 0.00 2.66 2.59 0.00 0.00 7.11 7.02 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 45 F 9.63 4.96 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.22 0.00 1.79 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 8.00 4.80 0.00 3.93 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 48 A 7.96 3.38 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.75 0.00 1.96 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 2.32 2.34 0.00 50 D 7.73 4.30 0.00 2.97 2.81 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 51 C 7.57 2.45 0.00 2.82 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 52 M 7.88 3.71 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 53 R 7.39 3.83 0.00 1.88 2.02 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.77 4.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 55 C 7.92 4.40 0.00 2.61 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 0.00 0.00 0.00 0.00 56 G 7.58 3.61 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 0.00 0.00 0.00