NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8748 8.3544 109.7360 45.6007 0.0000 171.7814 2 S 4.4099 8.5353 114.5404 56.8885 63.4551 172.0057 3 S 4.4847 9.0382 121.9034 59.7446 65.7190 173.9540 4 G 4.1236 7.7811 105.7155 44.1283 0.0000 171.7991 5 S 4.5678 8.4337 111.0563 59.6024 65.0869 175.9918 6 S 4.4520 7.3670 118.7102 56.7264 63.5225 176.1163 7 G 3.8614 8.0925 113.7315 45.6582 0.0000 170.6468 8 T 4.2303 8.5581 108.2928 63.1845 69.9773 174.4846 9 G 4.0347 8.0182 112.8845 45.5737 0.0000 174.1394 10 G 3.8371 8.2556 108.4100 45.8337 0.0000 174.0481 11 K 4.1029 8.3786 123.3795 54.9947 30.7444 173.8718 12 H 5.1163 7.9139 116.3861 53.9258 30.6778 174.7504 13 F 4.7041 9.3578 122.3366 55.8693 40.5889 174.8194 14 E 5.0825 8.8902 124.8450 55.1270 31.7771 174.7069 15 C 4.7247 8.9093 125.7312 58.5481 32.1064 174.6286 16 T 4.0428 8.8374 117.2331 64.0834 68.3768 175.2306 17 E 4.0555 7.8766 122.2332 58.2826 30.1709 177.1151 18 C 4.3431 7.8378 112.8837 61.1164 30.9727 174.5946 19 G 4.5621 8.3954 107.6105 44.5508 0.0000 172.9903 20 K 4.0454 8.4023 122.0148 55.7793 33.3669 175.4101 21 A 4.9644 8.2659 129.5341 51.0664 19.9083 176.1405 22 F 4.8555 9.4340 122.0752 55.9737 41.8725 176.4935 23 T 4.4691 8.8305 115.8420 62.6094 67.8869 174.8557 24 R 4.7209 7.7372 119.2779 54.2307 34.4386 175.8438 25 K 3.2978 8.4551 124.1577 59.1114 32.0157 179.2796 26 S 4.0149 7.7216 113.4942 61.4826 63.5048 176.0612 27 T 3.8983 7.7247 118.9366 66.1553 68.2336 175.8532 28 L 2.6291 7.3865 121.4855 58.1609 41.8594 178.9691 29 S 3.9980 7.2620 113.5852 62.2939 63.1740 176.6496 30 M 4.1505 7.6686 120.4916 58.0932 31.7327 178.3409 31 H 4.2254 8.4750 118.9672 59.3283 30.0674 177.2054 32 Q 4.2390 8.0245 119.2081 58.9389 28.5808 179.1030 33 K 3.9530 7.6259 118.3733 59.1500 31.7502 179.1266 34 I 3.8140 7.8899 113.0416 63.8925 37.4719 177.5882 35 H 4.5032 7.9492 117.5453 58.0180 28.7521 175.8137 36 T 4.3441 7.3009 112.1350 61.9317 67.5343 175.6343 37 G 4.0136 7.7380 108.6012 44.6616 0.0000 171.5949 38 E 4.7162 7.2874 117.0258 53.6471 33.4229 176.0344 39 K 3.9428 8.3785 118.9917 55.2450 32.8540 175.2050 40 P 4.3371 0.0000 0.0000 62.8669 30.7696 176.4924 41 S 4.1456 8.8723 118.7865 59.7929 62.5620 175.0702 42 G 4.1789 7.2090 105.6439 44.4360 0.0000 170.8019 43 P 4.5016 0.0000 0.0000 62.6753 32.5805 175.2352 44 S 4.5548 7.8793 111.7647 57.0192 65.8101 172.9284 45 S 4.4909 8.4526 115.3842 58.2919 61.4750 173.9390 46 G 3.7381 7.7003 113.6624 45.7850 0.0000 172.3670 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 3.87 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 0.00 0.00 0.00 2 S 8.54 4.41 0.00 3.91 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 3 S 9.04 4.48 0.00 3.85 3.83 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 4 G 7.78 4.12 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 0.00 0.00 0.00 5 S 8.43 4.57 0.00 3.81 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 6 S 7.37 4.45 0.00 3.75 3.67 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 7 G 8.09 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 0.00 0.00 0.00 8 T 8.56 4.23 4.24 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 1.21 0.00 0.00 9 G 8.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 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 11 K 8.38 4.10 0.00 1.81 1.86 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 H 7.91 5.12 0.00 3.17 3.30 0.00 5.50 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 9.36 4.70 0.00 3.12 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 14 E 8.89 5.08 0.00 2.08 1.91 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 2.31 2.42 0.00 15 C 8.91 4.72 0.00 3.49 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.84 4.04 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 1.25 0.00 0.00 17 E 7.88 4.06 0.00 1.51 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 2.26 2.14 0.00 18 C 7.84 4.34 0.00 3.16 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 19 G 8.40 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.40 4.05 0.00 1.83 1.64 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 1.07 7.81 21 A 8.27 4.96 1.15 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 0.00 0.00 22 F 9.43 4.86 0.00 3.04 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 23 T 8.83 4.47 4.30 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 1.28 0.00 0.00 24 R 7.74 4.72 0.00 1.85 1.75 0.00 3.37 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 25 K 8.46 3.30 0.00 0.80 1.44 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 0.55 7.81 26 S 7.72 4.01 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 3.90 4.37 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 1.27 0.00 0.00 28 L 7.39 2.63 0.00 1.38 1.53 0.85 0.95 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 S 7.26 4.00 0.00 3.86 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 30 M 7.67 4.15 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 31 H 8.48 4.23 0.00 3.03 2.86 0.00 5.80 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 32 Q 8.02 4.24 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 33 K 7.63 3.95 0.00 2.01 1.82 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 1.42 1.59 7.81 34 I 7.89 3.81 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.16 0.87 0.00 0.00 35 H 7.95 4.50 0.00 3.30 3.54 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.30 4.34 4.24 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 1.24 0.00 0.00 37 G 7.74 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.29 4.72 0.00 1.93 1.87 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 2.20 2.23 0.00 39 K 8.38 3.94 0.00 1.74 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 40 P 0.00 4.34 0.00 2.17 2.11 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 41 S 8.87 4.15 0.00 3.85 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 42 G 7.21 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 0.00 0.00 0.00 0.00 43 P 0.00 4.50 0.00 2.19 2.10 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 44 S 7.88 4.55 0.00 3.78 3.74 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 0.00 0.00 0.00 0.00 45 S 8.45 4.49 0.00 3.87 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 46 G 7.70 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00