NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9414 8.3549 109.7365 46.0244 0.0000 172.0963 2 S 4.3756 7.8877 113.7857 57.5877 66.4784 172.0925 3 S 4.6098 8.4440 116.9351 57.2342 67.5997 173.9086 4 G 3.9581 8.5373 110.3304 44.4665 0.0000 172.7885 5 S 4.6469 8.3234 118.9259 57.4340 63.4787 175.3687 6 S 3.9890 8.0767 115.8194 61.8633 62.2040 176.1239 7 G 3.8291 7.9053 107.0187 43.6735 0.0000 170.8685 8 P 4.4302 0.0000 0.0000 62.9781 31.8856 175.8043 9 Q 4.4648 8.3848 117.1022 55.9512 28.8366 175.3230 10 I 3.9198 7.5862 120.0215 61.6776 37.2522 174.7233 11 D 4.6929 8.2055 123.3812 53.1143 44.0466 174.2015 12 S 4.5432 8.2262 118.6124 56.2271 65.7747 173.8422 13 S 4.1107 8.7376 120.2621 58.9371 62.0244 173.0422 14 R 4.5342 7.8438 122.3179 55.0451 31.5809 174.5338 15 I 3.8792 8.0866 120.5596 61.2031 37.6044 176.5072 16 R 4.6176 8.3516 121.5559 55.7165 30.3682 174.0515 17 S 4.5348 8.4223 119.7003 60.2866 63.5578 174.0882 18 H 4.0918 8.3180 121.4867 56.8493 29.6037 173.8808 19 I 4.4923 8.2227 124.2580 60.0241 38.6431 175.5588 20 C 4.2831 8.4381 126.9104 59.6031 31.2793 173.6510 21 S 4.2344 9.0309 123.1280 61.7630 63.3094 174.8215 22 H 4.0675 8.2848 120.0165 55.7377 29.8568 172.7714 23 P 4.4579 0.0000 0.0000 63.7408 32.1431 175.9128 24 G 4.2580 8.6005 112.6433 46.7052 0.0000 174.6144 25 C 3.7433 7.1565 118.2500 61.8704 31.9538 175.0731 26 G 3.9214 8.0598 104.7374 46.8758 0.0000 173.7726 27 K 4.5059 7.7140 116.6889 54.6606 35.7571 177.1456 28 T 5.1279 8.3080 120.8052 62.0038 71.9670 173.0001 29 Y 4.8193 8.8550 120.2398 56.6457 42.2795 176.6066 30 F 4.2178 9.2888 124.1659 61.2351 39.9912 176.0504 31 K 3.3026 7.8820 124.9373 56.1688 31.0468 177.4459 32 S 2.9967 8.0707 120.0857 61.1841 63.1868 177.0714 33 S 4.1457 8.1400 114.7344 61.9288 62.1863 175.5495 34 H 3.8370 8.0589 118.9769 58.8529 28.2929 176.6152 35 L 3.8514 7.9142 121.3985 58.4244 41.6892 178.5722 36 K 3.7565 7.9048 117.8992 59.9127 32.2726 178.2077 37 A 4.0406 7.7485 120.0870 55.0452 18.3056 178.9297 38 H 4.0446 8.4021 117.3775 59.9236 30.0226 177.5833 39 T 4.0537 8.1436 117.7153 66.8186 68.3802 176.1513 40 R 3.8237 7.4953 118.6065 59.7893 29.9177 178.8075 41 T 3.8189 8.0376 111.3113 65.2176 67.2320 175.6444 42 H 4.3733 7.9111 117.9496 57.5798 29.0541 175.8244 43 T 4.0769 6.8433 109.8066 61.8411 69.3584 174.4780 44 G 3.7988 8.7656 111.6666 44.5370 0.0000 172.9740 45 E 4.0904 8.4932 118.4690 58.0180 29.8676 176.5215 46 K 4.6280 7.6373 116.6756 53.7545 35.2245 174.5968 47 P 4.1941 0.0000 0.0000 65.0869 31.9494 176.8716 48 F 4.7536 7.5660 118.0901 56.1818 40.1432 175.1469 49 S 4.8989 8.5414 117.9206 57.2265 65.2528 173.0553 50 C 4.0080 8.6581 126.8058 62.0171 31.7416 174.6716 51 S 3.6926 7.9340 111.2097 58.9814 60.0962 171.1055 52 W 4.7957 7.9737 129.3941 55.8047 31.8068 175.6120 53 K 3.5652 5.7535 119.2504 59.0796 32.1758 176.8292 54 G 4.2350 7.5222 108.1162 45.2859 0.0000 172.3525 55 C 4.3817 7.8424 118.5884 59.6844 32.8445 174.2215 56 E 3.7390 8.1686 118.3907 57.6252 27.7280 174.4392 57 R 4.4304 7.9874 116.1544 54.3840 32.9811 176.4624 58 R 4.8493 8.0874 122.8706 55.1044 32.2628 175.2882 59 F 4.8449 8.7158 116.2181 56.9043 43.3455 175.8441 60 A 4.5154 8.9283 123.7207 54.4104 18.5869 178.9798 61 R 4.5102 7.6845 114.0235 55.4335 32.8210 177.2602 62 S 3.0146 8.2577 118.2731 61.0508 62.9124 176.4985 63 D 4.2772 7.7807 120.6759 57.7364 40.8242 179.0734 64 E 3.7698 7.4298 118.9380 59.4845 29.4901 179.1045 65 L 2.9832 7.6647 120.2747 57.8723 41.9241 178.5797 66 S 3.9337 7.7301 111.7031 61.7214 62.3043 176.1035 67 R 3.8897 8.0614 119.9814 59.0404 29.4984 177.2417 68 H 4.4010 7.6548 117.5073 57.8232 29.7338 175.9187 69 R 4.2684 7.9453 119.2181 56.3738 29.8258 176.7351 70 R 4.1459 7.1679 114.6987 58.2724 30.3614 177.8667 71 T 3.9097 7.5871 111.9004 64.4558 67.7624 173.5715 72 H 4.1745 7.9569 122.0741 56.1607 28.6137 174.8091 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 3.94 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 2 S 7.89 4.38 0.00 3.91 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 3 S 8.44 4.61 0.00 3.79 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 4 G 8.54 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.65 0.00 3.96 3.93 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 0.00 0.00 0.00 6 S 8.08 3.99 0.00 3.84 3.97 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 7 G 7.91 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 0.00 0.00 0.00 8 P 0.00 4.43 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 Q 8.38 4.46 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 10 I 7.59 3.92 1.87 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 1.30 0.81 0.91 0.00 0.00 11 D 8.21 4.69 0.00 2.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.54 0.00 3.84 3.71 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 0.00 0.00 0.00 0.00 13 S 8.74 4.11 0.00 3.81 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 14 R 7.84 4.53 0.00 1.88 1.83 0.00 3.14 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.84 0.00 15 I 8.09 3.88 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.97 0.00 0.00 16 R 8.35 4.62 0.00 1.88 1.90 0.00 3.03 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 17 S 8.42 4.53 0.00 3.89 3.97 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 18 H 8.32 4.09 0.00 3.29 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.22 4.49 1.89 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 1.24 0.59 0.92 0.00 0.00 20 C 8.44 4.28 0.00 3.24 2.93 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 0.00 0.00 0.00 21 S 9.03 4.23 0.00 3.92 3.93 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 0.00 0.00 0.00 22 H 8.28 4.07 0.00 3.02 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.46 0.00 2.15 1.99 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 24 G 8.60 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 0.00 0.00 0.00 0.00 25 C 7.16 3.74 0.00 3.16 3.23 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 0.00 26 G 8.06 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 27 K 7.71 4.51 0.00 1.68 1.55 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 28 T 8.31 5.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 29 Y 8.85 4.82 0.00 2.88 2.87 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 30 F 9.29 4.22 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.88 3.30 0.00 1.28 1.49 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.17 7.81 32 S 8.07 3.00 0.00 3.79 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 33 S 8.14 4.15 0.00 3.83 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 34 H 8.06 3.84 0.00 3.33 2.87 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.91 3.85 0.00 1.88 1.92 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.90 3.76 0.00 1.79 2.00 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 37 A 7.75 4.04 1.26 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 0.00 0.00 0.00 38 H 8.40 4.04 0.00 2.93 3.46 0.00 5.83 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 39 T 8.14 4.05 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 1.21 0.00 0.00 40 R 7.50 3.82 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 41 T 8.04 3.82 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 42 H 7.91 4.37 0.00 3.34 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 6.84 4.08 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 G 8.77 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 0.00 0.00 0.00 45 E 8.49 4.09 0.00 1.91 1.96 0.00 0.00 0.00 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 2.38 0.00 46 K 7.64 4.63 0.00 1.74 1.95 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 47 P 0.00 4.19 0.00 1.38 1.90 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 48 F 7.57 4.75 0.00 3.53 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 49 S 8.54 4.90 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 4.01 0.00 3.47 3.21 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 0.00 51 S 7.93 3.69 0.00 4.11 3.98 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 52 W 7.97 4.80 0.00 3.34 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 53 K 5.75 3.57 0.00 0.79 1.46 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.19 7.81 54 G 7.52 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 0.00 0.00 0.00 0.00 55 C 7.84 4.38 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.74 0.00 2.14 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 0.00 2.19 2.37 0.00 57 R 7.99 4.43 0.00 1.78 1.49 0.00 3.28 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 58 R 8.09 4.85 0.00 1.56 2.03 0.00 3.20 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 59 F 8.72 4.84 0.00 3.02 2.89 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 60 A 8.93 4.52 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 61 R 7.68 4.51 0.00 1.81 1.80 0.00 3.32 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 62 S 8.26 3.01 0.00 3.61 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.78 4.28 0.00 2.66 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 64 E 7.43 3.77 0.00 2.27 1.85 0.00 0.00 0.00 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 2.53 0.00 65 L 7.66 2.98 0.00 1.47 1.54 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.73 3.93 0.00 3.76 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 67 R 8.06 3.89 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 68 H 7.65 4.40 0.00 3.02 2.91 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.95 4.27 0.00 1.79 1.76 0.00 2.99 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 70 R 7.17 4.15 0.00 1.90 2.08 0.00 3.14 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 71 T 7.59 3.91 4.14 0.00 0.00 0.00 0.00 0.00 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 72 H 7.96 4.17 0.00 2.84 2.66 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00