NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7051 8.3093 119.4668 56.7487 41.7807 174.6676 2 E 3.5845 9.0715 119.8705 56.9901 28.3301 176.3592 3 N 4.4837 5.7700 112.2595 53.8144 38.6345 174.5704 4 R 4.7438 7.5740 111.4890 55.7224 31.0392 179.5410 5 V 3.6530 7.5850 121.0360 65.9644 31.3582 176.9914 6 A 4.3232 7.8769 122.4741 54.4265 18.2971 179.0755 7 E 3.9290 7.9542 117.2600 59.7101 29.5249 179.8785 8 K 4.0961 8.0574 117.8183 59.4092 32.2030 179.0891 9 Q 4.1206 8.5558 118.8059 59.1038 28.8363 179.3213 10 K 4.0458 8.0893 119.1111 59.3382 31.8999 178.9261 11 L 3.7736 7.4728 119.0794 58.3280 42.0697 178.6997 12 F 4.4232 8.2551 114.6039 58.7414 39.2009 176.6537 13 Q 4.5149 7.5974 116.5013 54.4238 29.4926 175.3303 14 E 3.9138 7.4153 121.9579 56.3948 30.5930 177.1919 15 D 4.6607 8.4942 127.9618 53.7542 39.8932 175.3607 16 N 4.6645 7.9231 113.3196 52.1914 38.0781 176.0044 17 G 3.9540 8.0598 104.1811 46.6760 0.0000 173.9242 18 L 4.4332 7.6158 118.4215 52.6763 43.0319 174.9216 19 P 4.5813 0.0000 0.0000 61.8047 32.4046 177.4345 20 V 3.7459 8.5815 120.0603 65.3866 30.9817 177.4727 21 H 4.3876 8.1817 112.9650 56.5209 28.9539 175.4504 22 L 4.6123 8.1113 120.0571 55.3330 43.9938 178.7887 23 K 3.9956 7.6305 117.3885 59.5231 32.1005 178.0414 24 G 3.7342 8.2442 106.3756 46.4747 0.0000 174.2778 25 G 3.7204 7.1812 106.1358 44.9542 0.0000 172.8235 26 A 4.0256 8.2912 121.0240 55.2515 18.4904 180.1347 27 T 3.8949 7.9269 107.9302 64.9463 68.7044 176.0828 28 D 4.4398 7.6756 121.6102 57.4040 40.7894 178.4746 29 N 4.4711 8.1498 117.0532 56.5548 39.0447 176.7577 30 I 3.7174 7.6473 114.0869 64.1166 37.5546 177.9803 31 L 3.9872 8.3908 121.6065 57.5843 41.4640 178.9411 32 Y 4.2522 8.2897 119.2600 61.0244 38.7852 178.4833 33 R 3.5776 8.3904 119.2004 58.6946 29.9841 179.3567 34 V 3.4689 7.9863 118.6738 66.2381 31.5443 177.8684 35 T 3.8473 8.1079 115.8160 67.2444 68.3335 176.2255 36 M 3.9428 7.9012 120.1304 58.7138 31.8419 179.1107 37 T 3.8012 7.7408 115.6273 66.6974 68.6464 176.8059 38 L 4.0100 8.0738 120.9986 57.8488 41.5975 179.4408 39 C 4.1373 8.3614 116.9414 62.8382 28.1297 176.1824 40 L 4.1012 8.1568 120.7498 57.6350 41.2228 179.8268 41 G 3.6920 8.5151 106.1346 47.7937 0.0000 175.6928 42 G 3.8690 8.4553 109.4273 48.0161 0.0000 175.7397 43 T 4.0270 8.4615 118.6621 66.1020 68.3170 176.8862 44 L 4.0416 8.0793 121.0231 57.8771 41.7037 178.5999 45 Y 4.5368 8.6744 120.0759 60.9575 38.6964 178.3176 46 S 3.8693 8.5243 115.3932 61.5574 63.0538 176.2716 47 L 3.9777 7.8693 122.5576 57.6244 41.3191 178.9206 48 Y 4.2103 8.2931 119.3313 61.0964 38.7644 178.0113 49 C 3.9805 8.1749 117.6369 62.5966 28.0539 175.8695 50 L 4.0284 8.1991 122.2567 57.8970 41.4209 179.3329 51 G 3.6717 7.7356 104.4705 47.6177 0.0000 174.9908 52 W 4.1275 7.8741 130.0181 60.0766 30.6203 177.5541 53 A 3.9459 8.8021 120.7158 54.1451 17.7291 178.6677 54 S 4.3304 7.9725 112.1870 57.6938 63.2036 173.4449 55 F 4.6567 6.8641 119.1428 54.8733 42.1872 173.2089 56 P 4.3097 0.0000 0.0000 63.1100 31.0084 176.1110 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 F 8.31 4.71 0.00 2.92 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 3.58 0.00 2.17 1.77 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 2.36 2.59 0.00 3 N 5.77 4.48 0.00 2.90 3.18 0.00 0.00 7.15 7.38 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 4 R 7.57 4.74 0.00 2.13 2.11 0.00 3.04 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 5 V 7.58 3.65 2.11 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 0.96 0.00 0.00 0.96 0.00 0.00 6 A 7.88 4.32 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.95 3.93 0.00 2.16 2.03 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 2.34 2.37 0.00 8 K 8.06 4.10 0.00 2.03 2.15 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.85 1.57 7.81 9 Q 8.56 4.12 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 10 K 8.09 4.05 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 11 L 7.47 3.77 0.00 1.60 1.55 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.26 4.42 0.00 3.10 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 13 Q 7.60 4.51 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 14 E 7.42 3.91 0.00 2.03 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 2.29 2.22 0.00 15 D 8.49 4.66 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.66 0.00 2.82 3.00 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.43 0.00 1.75 1.56 0.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.58 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 20 V 8.58 3.75 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 0.83 0.00 0.00 0.89 0.00 0.00 21 H 8.18 4.39 0.00 3.24 3.40 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.11 4.61 0.00 1.60 1.61 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.63 4.00 0.00 2.12 2.27 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.72 7.81 24 G 8.24 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 0.00 0.00 0.00 25 G 7.18 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 0.00 0.00 0.00 26 A 8.29 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 27 T 7.93 3.89 4.28 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 1.23 0.00 0.00 28 D 7.68 4.44 0.00 2.89 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 29 N 8.15 4.47 0.00 2.88 3.00 0.00 0.00 6.92 7.71 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 30 I 7.65 3.72 1.89 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 1.73 0.98 0.94 0.00 0.00 31 L 8.39 3.99 0.00 2.04 1.85 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.29 4.25 0.00 3.13 3.29 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 33 R 8.39 3.58 0.00 1.96 1.88 0.00 3.38 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 34 V 7.99 3.47 2.26 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 1.10 0.00 0.00 0.95 0.00 0.00 35 T 8.11 3.85 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 1.23 0.00 0.00 36 M 7.90 3.94 0.00 1.81 1.80 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 2.05 2.49 0.00 37 T 7.74 3.80 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 L 8.07 4.01 0.00 1.80 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.36 4.14 0.00 3.08 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 40 L 8.16 4.10 0.00 1.70 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 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 43 T 8.46 4.03 4.40 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 1.24 0.00 0.00 44 L 8.08 4.04 0.00 1.95 1.79 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.67 4.54 0.00 2.95 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 46 S 8.52 3.87 0.00 3.99 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 47 L 7.87 3.98 0.00 2.17 1.87 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.29 4.21 0.00 3.23 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.17 3.98 0.00 3.00 2.88 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 50 L 8.20 4.03 0.00 1.66 1.85 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.74 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 0.00 0.00 0.00 52 W 7.87 4.13 0.00 2.77 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 53 A 8.80 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.97 4.33 0.00 3.63 3.90 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 0.00 0.00 0.00 55 F 6.86 4.66 0.00 2.88 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 56 P 0.00 4.31 0.00 2.14 1.99 0.00 3.94 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 2.00 1.96 0.00