NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4631 8.3049 120.3268 55.0476 33.2900 174.2573 2 K 3.9664 8.4966 119.9604 56.3612 33.2462 173.2308 3 R 3.8216 8.7780 124.5315 57.5702 30.0378 175.6913 4 T 4.3443 8.4193 111.0065 62.8225 71.1192 171.5025 5 Y 5.0074 7.7917 121.1873 56.9107 47.1825 171.4360 6 Q 3.5181 7.9344 125.8647 53.8368 29.0852 172.8745 7 P 4.0641 0.0000 0.0000 63.7344 30.5949 172.7597 8 N 3.9882 8.5788 119.8838 54.1515 36.4378 174.1696 9 N 4.9052 8.0331 123.7299 51.1297 36.6457 175.1717 10 R 4.0700 7.8470 122.4867 59.5721 31.5359 178.0022 11 K 4.6281 7.6124 116.9858 54.1601 31.8133 176.5419 12 R 4.7228 7.4622 110.0786 55.5246 32.8135 174.4977 13 A 4.7750 8.2372 119.1624 52.8031 24.0060 177.3928 14 K 4.4048 8.7914 119.9651 54.7075 33.4543 175.7640 15 T 4.5218 7.4181 112.4260 62.4766 76.2721 174.0826 16 H 5.2875 7.7782 121.3668 53.7078 29.9734 174.1222 17 G 4.1130 7.6138 107.2188 43.9925 0.0000 172.6003 18 F 3.9148 8.0629 124.0265 57.1624 39.2667 176.8747 19 R 4.4380 8.0842 124.2791 54.4430 29.6368 176.8272 20 A 4.7833 7.4890 124.6344 50.8233 20.3385 177.4628 21 R 4.6081 7.6245 114.1955 56.4507 33.8028 176.0862 22 M 4.3073 8.0332 119.8440 56.9949 33.1907 178.1923 23 K 3.9344 8.1400 117.0625 58.8904 32.5526 176.8055 24 T 4.5167 7.2345 115.4717 60.3662 69.0376 174.0606 25 K 3.8684 8.4925 125.4753 59.7068 32.4348 178.4112 26 S 4.4575 8.0383 112.0626 58.8118 62.7891 175.3858 27 G 4.0638 8.3207 108.2606 44.5359 0.0000 175.7069 28 R 3.9232 7.8272 121.6136 59.4173 29.9167 178.1049 29 N 4.4383 8.0425 115.2071 55.6844 37.6673 176.8361 30 I 3.9156 7.3918 122.3799 63.8940 36.9638 177.9479 31 L 4.0752 8.0518 120.8694 57.4079 41.3902 177.5983 32 A 4.6150 8.0695 119.9918 51.9721 18.7643 177.5031 33 R 4.3082 7.0429 118.5290 57.1196 30.7214 176.6220 34 R 4.7899 7.2203 108.9816 54.7819 31.6112 172.1421 35 R 4.3112 7.7929 126.5681 57.1098 35.9721 174.7109 36 A 4.6024 7.6057 114.5277 51.4405 19.4004 177.0184 37 K 4.2032 7.6304 120.0764 57.0118 32.9670 176.4123 38 G 3.9444 8.5689 113.3478 44.2941 0.0000 171.6619 39 R 4.2642 8.0555 122.0300 55.6493 30.2288 173.6113 40 H 4.0248 8.8561 128.0332 56.3810 31.8532 176.5672 41 Q 4.6614 7.8176 126.1792 55.5896 27.7184 179.4852 42 L 4.7739 8.5304 129.1401 55.3266 44.9609 176.0521 43 T 4.6819 8.5181 116.6006 63.9637 70.3895 174.4804 44 V 4.1115 7.9541 120.0560 62.7702 33.4575 175.4347 45 S 4.7299 7.7606 112.2206 58.9774 62.1738 172.9495 46 D 4.7417 8.1347 123.7280 53.8486 40.6978 174.4192 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 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.50 3.97 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 R 8.78 3.82 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 T 8.42 4.34 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 1.25 0.00 0.00 5 Y 7.79 5.01 0.00 2.72 2.80 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 6 Q 7.93 3.52 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 7 P 0.00 4.06 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 N 8.58 3.99 0.00 2.80 2.81 0.00 0.00 6.70 7.79 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 9 N 8.03 4.91 0.00 2.82 2.82 0.00 0.00 6.34 7.66 0.00 0.00 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 R 7.85 4.07 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 11 K 7.61 4.63 0.00 1.77 1.82 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 12 R 7.46 4.72 0.00 1.82 1.74 0.00 3.29 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 13 A 8.24 4.77 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 14 K 8.79 4.40 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 T 7.42 4.52 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 1.22 0.00 0.00 16 H 7.78 5.29 0.00 3.11 3.12 0.00 5.65 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 17 G 7.61 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 0.00 0.00 0.00 18 F 8.06 3.91 0.00 3.20 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.44 0.00 1.82 1.91 0.00 3.46 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 A 7.49 4.78 1.33 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 0.00 0.00 21 R 7.62 4.61 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 M 8.03 4.31 0.00 2.05 2.05 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 2.60 2.55 0.00 23 K 8.14 3.93 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 T 7.23 4.52 4.23 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 0.00 0.00 1.20 0.00 0.00 25 K 8.49 3.87 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 26 S 8.04 4.46 0.00 3.85 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 27 G 8.32 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 28 R 7.83 3.92 0.00 2.11 2.20 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 N 8.04 4.44 0.00 2.90 2.94 0.00 0.00 6.05 7.81 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 30 I 7.39 3.92 1.98 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 1.56 1.63 0.90 0.00 0.00 31 L 8.05 4.08 0.00 1.80 1.91 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.07 4.62 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 33 R 7.04 4.31 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 34 R 7.22 4.79 0.00 1.75 1.80 0.00 3.02 0.00 0.00 3.76 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 35 R 7.79 4.31 0.00 1.77 1.86 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 36 A 7.61 4.60 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 37 K 7.63 4.20 0.00 1.95 1.56 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 8.57 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 0.00 0.00 0.00 39 R 8.06 4.26 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 8.86 4.02 0.00 3.28 3.25 0.00 5.73 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 41 Q 7.82 4.66 0.00 2.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 42 L 8.53 4.77 0.00 1.65 1.63 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.52 4.68 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 44 V 7.95 4.11 2.02 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 -0.03 0.00 0.00 0.87 0.00 0.00 45 S 7.76 4.73 0.00 4.29 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 46 D 8.13 4.74 0.00 2.90 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