NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6271 8.1401 118.9141 56.7601 39.4483 174.7878 2 A 4.0611 7.7228 122.2913 51.1969 19.7906 173.5406 3 E 4.6563 7.4679 115.8722 55.1070 32.9965 173.3186 4 G 3.9214 7.8003 106.7589 46.0848 0.0000 173.4600 5 T 3.6262 8.1978 115.2713 66.7651 68.5475 176.3066 6 F 4.6431 7.6849 117.4746 60.2705 39.2032 176.9945 7 I 3.8621 7.9844 119.5951 64.4400 37.5078 177.7396 8 S 3.3967 7.6043 116.0900 57.2557 62.2018 174.6624 9 D 4.3324 7.6300 123.9704 57.3840 41.3025 177.5355 10 Y 4.4496 7.3699 114.8460 57.8039 38.2813 174.9352 11 S 4.8369 8.3376 114.4188 60.0861 70.0800 176.2634 12 I 4.1810 7.4842 123.6236 59.5441 35.5424 174.1313 13 A 4.8013 7.6152 125.9147 52.6460 26.3000 179.0409 14 M 3.9731 8.0465 114.6279 58.4383 32.0854 178.5540 15 D 4.3350 8.1316 118.5563 57.3661 40.9654 178.6772 16 K 3.9101 7.9509 119.4179 59.5144 32.2320 178.6641 17 I 3.6679 8.0758 120.4122 64.6173 37.0481 177.6136 18 H 4.1317 8.4624 119.4286 59.4154 29.4790 176.8445 19 Q 3.7638 8.1712 121.0938 59.3290 28.9229 177.9999 20 Q 3.9872 8.4216 120.8574 59.3110 29.0542 178.0148 21 D 4.4716 8.6573 120.2574 57.6368 40.8372 178.9030 22 F 4.5445 8.4503 118.2103 60.4504 38.8518 177.7504 23 V 3.6261 8.2346 118.2910 66.2077 31.2505 177.5829 24 N 4.2778 8.3113 116.0068 56.2231 38.2365 176.7854 25 W 4.3731 7.9029 127.8920 60.7022 31.0018 177.5504 26 L 3.0532 7.8485 118.5508 57.4789 41.0170 179.2129 27 L 3.8548 8.1147 118.9639 58.0402 41.3956 179.5451 28 A 4.0337 7.9789 119.0955 54.6735 18.3214 178.9697 29 Q 4.5014 7.3408 113.8299 55.6650 29.7800 177.7494 30 K 3.9548 7.5582 120.6151 57.8178 32.4267 177.3889 31 G 3.7845 8.1296 112.4277 46.1477 0.0000 172.9012 32 K 3.7393 8.2337 124.7606 55.8168 29.7718 175.3333 33 K 4.7376 7.4176 125.5021 54.6531 32.7350 179.2027 34 N 4.3935 7.8178 117.7133 53.7309 38.3058 173.4605 35 D 4.8837 7.0454 124.7803 52.0892 41.5751 177.1790 36 W 4.4703 7.7370 118.1282 57.3801 26.5847 175.2806 37 K 3.8333 8.4357 125.4188 57.1398 29.2851 175.5464 38 H 4.1615 8.1281 117.2154 56.4239 29.2976 172.6096 39 N 3.9970 7.7960 120.7331 53.9694 36.9460 172.1121 40 I 3.1067 8.0687 125.8480 61.1231 33.7675 173.4334 41 T 4.0843 7.6781 115.9801 62.4844 68.3175 173.6433 42 Q 4.1171 8.2640 122.3727 56.2178 29.8690 175.2187 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 Y 8.14 4.63 0.00 3.15 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 2 A 7.72 4.06 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.47 4.66 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 4 G 7.80 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 6 F 7.68 4.64 0.00 3.07 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 7 I 7.98 3.86 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.99 0.00 0.00 8 S 7.60 3.40 0.00 3.66 3.25 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 0.00 9 D 7.63 4.33 0.00 2.70 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 10 Y 7.37 4.45 0.00 3.05 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 11 S 8.34 4.84 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.48 4.18 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.92 0.00 0.00 13 A 7.62 4.80 1.22 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 14 M 8.05 3.97 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.38 0.00 15 D 8.13 4.34 0.00 2.69 2.70 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 16 K 7.95 3.91 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 17 I 8.08 3.67 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.46 0.94 0.00 0.00 18 H 8.46 4.13 0.00 3.08 3.36 0.00 5.59 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 19 Q 8.17 3.76 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 20 Q 8.42 3.99 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 21 D 8.66 4.47 0.00 2.94 2.83 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 22 F 8.45 4.54 0.00 3.30 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 23 V 8.23 3.63 2.44 0.00 0.00 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 1.04 0.00 0.00 24 N 8.31 4.28 0.00 3.00 2.92 0.00 0.00 6.88 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 25 W 7.90 4.37 0.00 3.19 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 3.05 0.00 1.62 1.33 0.85 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.11 3.85 0.00 1.74 1.71 0.92 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 28 A 7.98 4.03 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 29 Q 7.34 4.50 0.00 1.72 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 30 K 7.56 3.95 0.00 1.65 1.78 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.30 7.81 31 G 8.13 3.78 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 0.00 0.00 0.00 32 K 8.23 3.74 0.00 1.85 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.38 7.81 33 K 7.42 4.74 0.00 1.67 1.67 0.00 1.07 0.00 0.00 2.21 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.16 7.81 34 N 7.82 4.39 0.00 2.71 2.81 0.00 0.00 7.14 8.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.05 4.88 0.00 2.45 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 0.00 0.00 0.00 0.00 36 W 7.74 4.47 0.00 3.35 3.20 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 0.00 0.00 0.00 0.00 37 K 8.44 3.83 0.00 2.05 1.88 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.49 7.81 38 H 8.13 4.16 0.00 3.14 3.34 0.00 5.88 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 39 N 7.80 4.00 0.00 2.90 2.91 0.00 0.00 7.22 7.83 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 40 I 8.07 3.11 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.92 0.00 0.00 41 T 7.68 4.08 4.21 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 1.19 0.00 0.00 42 Q 8.26 4.12 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.43 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00