NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4994 8.1744 111.0805 61.4227 70.5017 172.7680 2 Q 4.1243 8.7882 124.2877 55.5928 30.3670 174.0545 3 S 4.7659 8.8800 120.9671 57.8083 65.2470 172.4257 4 H 4.1733 8.7284 120.1890 58.1661 29.9020 175.3587 5 Y 3.8552 8.8261 124.0974 58.7400 37.8863 170.6393 6 G 3.7625 7.7969 108.9448 45.5381 0.0000 172.5834 7 Q 4.0231 8.5039 124.6969 55.8976 30.0443 175.9720 8 C 4.7341 8.7738 124.8508 57.8597 45.2833 173.0718 9 G 4.2934 7.0908 105.0272 44.4057 0.0000 171.0271 10 G 4.3122 9.9376 111.2415 46.3796 0.0000 176.5104 11 I 3.9909 8.9286 111.4265 62.8709 35.8437 176.8202 12 G 4.0369 7.9540 113.9540 47.1297 0.0000 170.6485 13 Y 4.2658 8.0565 119.7462 56.7412 39.9342 174.9133 14 S 4.4412 7.6869 122.3373 57.5644 66.2229 174.1535 15 G 3.6308 8.2492 107.7513 45.6749 0.0000 172.9268 16 P 4.6749 0.0000 0.0000 62.6997 29.4327 177.2080 17 T 4.8365 7.4298 102.4156 61.0864 69.0050 176.0576 18 V 4.2885 7.5607 123.3208 62.4455 33.5041 174.5011 19 C 4.9379 8.7874 124.4712 56.6295 39.4067 173.7307 20 A 4.3013 8.8689 123.3152 51.7405 19.3139 177.5474 21 S 4.2697 8.5617 114.7692 59.0631 63.3057 173.9964 22 G 4.2188 8.7350 115.5648 46.4203 0.0000 174.3769 23 T 4.1136 6.9292 107.2574 61.1941 69.8950 173.5928 24 T 4.4123 8.0442 119.9431 62.2673 71.0036 175.1274 25 C 5.0296 8.6993 125.7640 56.4974 37.1609 172.7553 26 Q 4.3933 9.2172 125.6358 54.5811 30.2880 176.0875 27 V 4.7187 7.6509 117.5585 60.6521 31.3918 175.9988 28 L 4.0397 7.9079 123.3287 58.6248 42.6375 176.0913 29 N 5.0692 7.7908 113.1920 50.3713 40.3102 172.9515 30 P 4.1838 0.0000 0.0000 65.9077 31.6049 178.7547 31 A 4.1912 8.3086 120.2819 54.5883 18.3591 175.7661 32 Y 4.4733 8.1433 118.9277 56.2548 38.2129 172.7326 33 S 5.0687 7.9813 116.9289 55.6162 64.1000 171.8574 34 Q 4.6411 8.2776 128.0317 54.0003 32.6011 175.7272 35 C 4.7599 8.7580 121.5436 56.5696 38.3189 174.0400 36 L 4.2441 8.3476 122.0825 54.4945 41.6275 176.2800 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 T 8.17 4.50 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 1.26 0.00 0.00 2 Q 8.79 4.12 0.00 2.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 3 S 8.88 4.77 0.00 3.87 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 4 H 8.73 4.17 0.00 3.12 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.83 3.86 0.00 3.18 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 6 G 7.80 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 7 Q 8.50 4.02 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 1.31 1.86 0.00 8 C 8.77 4.73 0.00 2.90 3.07 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 0.00 0.00 0.00 0.00 9 G 7.09 4.29 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 0.00 10 G 9.94 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 0.00 0.00 0.00 0.00 11 I 8.93 3.99 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.95 0.00 0.00 12 G 7.95 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 0.00 0.00 0.00 0.00 13 Y 8.06 4.27 0.00 2.93 2.82 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 14 S 7.69 4.44 0.00 3.84 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 3.63 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 0.00 0.00 0.00 16 P 0.00 4.67 0.00 2.11 2.06 0.00 3.73 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 2.05 2.07 0.00 17 T 7.43 4.84 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 1.44 0.00 0.00 18 V 7.56 4.29 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 1.10 0.00 0.00 0.95 0.00 0.00 19 C 8.79 4.94 0.00 2.88 2.99 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 0.00 0.00 0.00 20 A 8.87 4.30 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.27 0.00 3.83 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 22 G 8.73 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 0.00 0.00 0.00 0.00 23 T 6.93 4.11 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 0.87 0.00 0.00 24 T 8.04 4.41 4.38 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 1.19 0.00 0.00 25 C 8.70 5.03 0.00 2.97 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 26 Q 9.22 4.39 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 27 V 7.65 4.72 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 0.64 0.00 0.00 0.94 0.00 0.00 28 L 7.91 4.04 0.00 1.64 1.62 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.79 5.07 0.00 2.93 2.81 0.00 0.00 6.06 7.84 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 30 P 0.00 4.18 0.00 2.21 2.19 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 31 A 8.31 4.19 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 32 Y 8.14 4.47 0.00 3.16 2.82 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 33 S 7.98 5.07 0.00 3.98 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.64 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.23 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 35 C 8.76 4.76 0.00 3.00 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 36 L 8.35 4.24 0.00 1.43 1.39 0.96 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00