NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8314 8.3544 109.7365 45.5410 0.0000 173.3303 2 S 4.2594 8.5788 120.6844 55.9587 62.8388 171.3199 3 S 4.6100 8.7257 123.1428 56.3556 66.1194 172.9838 4 G 3.6158 8.6883 109.2387 45.0876 0.0000 173.9197 5 S 4.3945 8.1946 121.3141 58.1723 60.8161 173.8325 6 S 4.7291 7.6221 121.8465 58.0386 67.1967 177.2108 7 G 4.0416 9.0365 116.0585 46.1680 0.0000 177.1551 8 S 4.6471 8.7642 114.3181 56.3244 65.7022 173.8365 9 R 4.3880 8.4586 123.0285 54.1011 29.7329 173.8451 10 S 4.9381 8.1733 117.1818 55.8154 65.6171 172.9444 11 K 4.4300 8.7128 120.5240 57.1122 34.1179 176.2931 12 Q 4.5362 8.2159 120.9855 55.2963 27.3731 175.8948 13 K 3.9859 8.2128 121.3850 58.1258 33.0387 177.7100 14 S 4.4945 7.6629 115.3032 55.5849 63.5794 173.9589 15 R 4.0888 8.6343 123.8213 58.7857 29.1802 177.8743 16 R 4.0081 8.0155 118.4081 58.6219 30.8008 176.3569 17 R 5.4906 8.2637 115.7767 53.4251 32.8437 175.8900 18 C 4.2839 8.6110 121.9158 59.2965 32.6522 173.8410 19 F 4.8191 9.1352 121.6453 58.0454 39.8634 175.3268 20 Q 4.3351 8.4680 119.0726 57.7986 30.6777 175.5194 21 C 4.5786 8.1803 108.8659 57.1149 31.0630 173.1636 22 Q 4.0161 7.9750 117.4556 56.2299 26.1070 173.3514 23 T 4.4206 7.6119 110.5477 61.0265 69.6398 173.5017 24 K 4.5282 8.5420 124.9150 56.3376 32.7958 176.4243 25 L 4.7344 7.9142 123.9831 52.6951 43.5646 176.7388 26 E 4.2322 8.7780 123.3514 55.6707 30.1260 177.6447 27 L 3.9527 8.7051 120.0641 58.3046 41.3535 180.5116 28 V 3.6377 7.6625 118.1490 65.1619 31.6231 177.8650 29 Q 3.9790 8.2682 118.7458 58.9033 28.4889 179.0510 30 Q 3.9519 8.4500 118.8303 59.0913 28.5701 180.0723 31 E 3.9828 7.3461 118.9991 59.3589 29.8657 178.7431 32 L 4.1890 8.0349 117.9845 57.6143 41.8170 178.5843 33 G 4.5827 8.7044 107.4702 48.1894 0.0000 173.7501 34 S 3.9375 6.9440 112.5722 57.3832 63.7653 172.8485 35 C 4.9897 7.9917 121.0220 57.7601 34.6347 173.7131 36 R 4.0420 8.4249 118.6424 58.2949 30.2105 177.8043 37 C 4.2320 8.2950 111.9875 62.2308 29.2868 173.3648 38 G 3.2751 7.4176 107.9393 44.6952 0.0000 172.3832 39 Y 4.4151 7.7242 116.9990 55.6211 42.3976 174.1428 40 V 4.2449 7.8414 121.3960 61.1891 34.4122 174.4726 41 F 5.2420 8.3604 124.9664 55.7013 43.8278 173.8136 42 C 4.7537 8.6658 114.6869 57.4070 30.9734 173.8064 43 M 4.2474 8.7507 118.1615 57.3418 31.8125 176.2917 44 L 4.4424 7.7941 116.4470 56.2502 43.0446 176.7873 45 H 4.9870 7.9103 112.9280 55.3147 29.4908 174.9794 46 R 4.3329 8.2461 119.1956 59.0416 29.3627 177.6877 47 L 4.2031 7.7518 117.8744 53.7864 42.6029 176.2474 48 P 3.7527 0.0000 0.0000 65.8132 31.6090 178.5278 49 E 3.9714 8.1478 116.0578 58.7259 29.5238 178.2056 50 Q 4.1059 7.5722 117.9961 58.4590 28.7508 177.3250 51 H 4.6897 7.3131 111.6754 57.0902 29.1853 173.8446 52 D 4.2088 8.2533 115.7086 56.5714 38.3608 173.9369 53 C 3.7261 7.5994 119.0627 59.8655 32.4303 173.5896 54 T 4.0668 8.5144 120.3976 64.2711 67.4367 174.7006 55 F 3.9489 8.1793 122.0094 58.1967 39.8035 173.7522 56 D 4.7292 7.3205 122.5836 52.3248 41.7848 174.9337 57 H 4.5494 8.7608 124.6975 59.1597 28.9486 176.8090 58 M 4.5483 7.9225 119.4077 54.5748 30.8524 176.8454 59 G 4.1019 7.5341 116.5233 43.4224 0.0000 171.7346 60 R 3.5721 9.8461 117.6608 57.2651 27.5028 174.5241 61 G 3.9420 7.8948 101.1401 44.3001 0.0000 173.4084 62 S 4.6319 8.1818 112.3579 56.7557 65.4603 172.6498 63 G 4.1416 8.0581 112.6007 43.7195 0.0000 170.5706 64 P 4.3958 0.0000 0.0000 62.9274 31.9499 175.8951 65 S 4.4928 8.5843 117.4598 60.1215 64.3036 175.0827 66 S 4.1545 7.9851 113.6630 58.6125 62.5412 173.9899 67 G 3.7394 8.4058 115.1893 46.0482 0.0000 172.2520 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 3.83 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 2 S 8.58 4.26 0.00 3.87 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 3 S 8.73 4.61 0.00 3.88 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 4 G 8.69 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.39 0.00 4.00 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 6 S 7.62 4.73 0.00 3.79 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 7 G 9.04 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 8 S 8.76 4.65 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.39 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 10 S 8.17 4.94 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.71 4.43 0.00 1.62 1.86 0.00 1.50 0.00 0.00 1.30 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.11 7.81 12 Q 8.22 4.54 0.00 2.70 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 13 K 8.21 3.99 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.97 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 S 7.66 4.49 0.00 3.93 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 15 R 8.63 4.09 0.00 1.84 2.06 0.00 2.70 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 16 R 8.02 4.01 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 17 R 8.26 5.49 0.00 1.68 1.92 0.00 3.22 0.00 0.00 3.10 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 18 C 8.61 4.28 0.00 3.12 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 19 F 9.14 4.82 0.00 3.13 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 20 Q 8.47 4.34 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 21 C 8.18 4.58 0.00 3.16 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 22 Q 7.98 4.02 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 23 T 7.61 4.42 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 1.26 0.00 0.00 24 K 8.54 4.53 0.00 1.67 1.75 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.54 7.81 25 L 7.91 4.73 0.00 1.66 1.66 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.78 4.23 0.00 2.08 1.89 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 2.40 2.40 0.00 27 L 8.71 3.95 0.00 1.65 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.66 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 29 Q 8.27 3.98 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 30 Q 8.45 3.95 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 31 E 7.35 3.98 0.00 2.31 1.99 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 2.32 2.48 0.00 32 L 8.03 4.19 0.00 1.79 1.73 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.70 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.94 3.94 0.00 4.06 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 0.00 35 C 7.99 4.99 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.04 0.00 1.07 1.19 0.00 3.08 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 37 C 8.30 4.23 0.00 3.25 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.42 3.28 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 0.00 0.00 0.00 0.00 39 Y 7.72 4.42 0.00 2.47 1.88 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 40 V 7.84 4.24 2.07 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 1.13 0.00 0.00 0.80 0.00 0.00 41 F 8.36 5.24 0.00 3.12 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 42 C 8.67 4.75 0.00 3.15 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 43 M 8.75 4.25 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 44 L 7.79 4.44 0.00 1.49 1.57 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 H 7.91 4.99 0.00 3.24 3.18 0.00 5.72 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.25 4.33 0.00 2.03 2.31 0.00 3.11 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 47 L 7.75 4.20 0.00 1.70 1.60 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 3.75 0.00 2.22 2.42 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 49 E 8.15 3.97 0.00 2.06 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 2.25 2.31 0.00 50 Q 7.57 4.11 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.47 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 51 H 7.31 4.69 0.00 2.93 2.76 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.25 4.21 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 7.60 3.73 0.00 2.83 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 54 T 8.51 4.07 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 1.31 0.00 0.00 55 F 8.18 3.95 0.00 3.03 2.92 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 56 D 7.32 4.73 0.00 2.45 2.33 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 57 H 8.76 4.55 0.00 3.25 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 7.92 4.55 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 59 G 7.53 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.85 3.57 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 61 G 7.89 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 62 S 8.18 4.63 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 0.00 0.00 0.00 0.00 64 P 0.00 4.40 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 65 S 8.58 4.49 0.00 3.86 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 66 S 7.99 4.15 0.00 3.82 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 67 G 8.41 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