NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2770 8.2644 123.5826 51.5381 20.7438 176.5882 3 E 3.9812 8.0911 117.4266 55.1863 30.2791 173.6750 4 I 4.4805 9.0729 128.3004 60.1680 39.2593 174.8532 5 K 4.4790 9.3260 127.3266 55.0352 34.9690 175.0569 6 H 4.6522 8.3054 122.0355 54.6693 32.1560 172.1342 7 Y 5.3140 8.6756 123.8296 56.2120 41.2131 174.5764 8 Q 5.0598 8.5858 123.2377 54.3025 32.2801 173.9579 9 F 5.0989 9.4541 124.9873 55.6032 42.4782 174.0963 10 N 5.1148 9.4371 123.4465 52.9870 39.4704 173.6296 11 V 4.7157 8.3355 126.6347 60.8779 34.1370 175.9704 12 V 4.3954 9.0327 128.3998 62.5198 30.6313 174.0170 13 M 4.7105 8.5392 125.7949 53.6025 34.0768 175.9825 14 T 4.4522 8.6182 119.8675 63.8618 71.1564 173.3541 15 C 4.9243 7.5294 114.4482 55.2700 33.1931 174.6352 16 S 4.3350 8.5817 113.7624 61.0644 62.2960 176.5712 17 G 3.5850 8.0303 109.6120 47.6991 0.0000 175.3353 18 C 4.1315 7.9271 119.1956 62.8454 28.1733 176.5036 19 S 4.2703 8.1048 115.3579 61.2050 62.6820 176.3999 20 G 3.5923 8.1149 109.1785 47.7402 0.0000 175.5942 21 A 4.1835 8.3426 123.6091 54.4923 18.1948 180.0633 22 V 3.4483 7.5016 116.9992 66.0301 31.6391 177.3838 23 N 4.1924 8.3468 117.2890 56.9203 38.2419 176.2985 24 K 3.8309 8.5428 120.8578 59.9494 32.0007 179.0262 25 V 3.7172 7.4320 110.7559 64.0161 31.6812 178.2856 26 L 4.2116 7.8002 119.1708 57.7632 41.4185 179.4145 27 T 3.9392 8.1942 109.6440 64.2933 68.5230 176.3315 28 K 4.2083 7.6646 119.4040 57.9303 32.2338 177.2398 29 L 4.6102 7.8896 119.0408 54.3043 42.3221 176.3629 30 E 4.6018 7.9995 118.9456 55.3006 29.7839 175.2568 31 P 4.5936 0.0000 0.0000 63.5614 32.3039 176.9966 32 D 4.3963 8.0267 120.1065 56.7757 40.7935 176.0540 33 V 4.5331 8.0913 120.6483 61.8303 32.1301 176.0308 34 S 4.6681 8.7234 122.0260 59.1872 64.6271 174.4435 35 K 4.5258 7.7846 120.3674 55.3815 35.5163 173.9865 36 I 5.0686 8.5587 127.5694 59.6765 40.1611 174.4706 37 D 4.9336 9.3995 127.4028 52.7522 43.4418 174.9640 38 I 4.8579 8.4593 124.6893 59.4543 39.5888 175.3110 39 S 4.5258 8.9430 122.6906 56.3474 63.4535 174.2766 40 L 4.0091 8.6728 130.4934 58.2198 42.3144 179.0553 41 E 4.0051 8.2033 116.7226 59.3350 29.4811 178.1834 42 K 4.1233 8.1462 115.8512 56.6692 32.9356 176.5945 43 Q 3.5974 7.7461 117.4260 57.2758 26.5266 172.8999 44 L 5.2527 8.0528 116.2649 52.9411 46.3382 177.1766 45 V 4.7271 9.0516 122.4001 61.4681 34.4343 173.6821 46 D 5.4025 9.4276 129.1783 52.9324 42.9979 175.9617 47 V 4.9207 9.0834 123.1294 61.3158 35.1075 173.4976 48 Y 5.0048 8.8183 125.1974 56.6712 40.4013 174.7373 49 T 4.9816 8.7756 117.6672 61.9177 71.4129 173.4050 50 T 4.6214 8.3977 113.4448 61.7325 69.6239 175.3287 51 L 4.2100 8.2240 123.4919 53.6177 42.6443 175.6348 52 P 4.7026 0.0000 0.0000 62.5994 33.2935 176.8106 53 Y 3.1871 8.5287 119.5083 61.0925 38.6341 178.2567 54 D 4.4071 8.3715 119.0666 57.2655 40.9000 178.6788 55 F 3.9211 8.2034 120.6023 61.2773 39.7083 176.9132 56 I 3.6087 7.9394 119.4348 64.3277 36.8797 177.8391 57 L 3.2470 7.8209 121.2756 58.3507 41.7224 179.0738 58 E 3.8103 8.0650 118.0887 59.1299 29.0546 179.5257 59 K 3.7949 7.3789 117.9307 59.3699 32.3671 179.1594 60 I 3.7425 7.3665 119.8677 64.1800 37.0264 178.5662 61 K 3.9089 8.0812 119.4706 59.3254 31.5903 179.3328 62 K 4.0864 7.5875 117.6036 58.8946 31.9377 179.0308 63 T 4.0085 7.5528 110.0964 62.9782 68.8065 175.5374 64 G 3.9669 7.8077 108.3174 44.6599 0.0000 173.6594 65 K 4.1406 7.4445 119.3408 55.7108 32.9421 176.3658 66 E 4.0787 8.6158 124.1084 56.2618 30.8224 175.3556 67 V 4.4507 8.2919 127.3257 62.2023 31.8346 175.7296 68 R 4.3523 9.3425 128.5491 58.7060 30.9623 176.6101 69 S 4.6763 7.9529 111.3359 58.4643 65.5474 175.6554 70 G 4.5521 8.8775 106.3324 46.1012 0.0000 171.7747 71 K 4.6781 8.9241 119.0780 55.5321 36.7701 174.3811 72 Q 5.1983 8.4399 121.2162 54.3247 31.0651 175.0842 73 L 4.3544 8.5790 125.3733 54.8150 41.5881 176.3147 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 2 A 8.26 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.98 0.00 2.03 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 2.29 2.40 0.00 4 I 9.07 4.48 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 0.72 1.01 0.00 0.00 5 K 9.33 4.48 0.00 1.49 1.27 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.35 7.81 6 H 8.31 4.65 0.00 2.92 2.93 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.68 5.31 0.00 2.93 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.59 5.06 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 9 F 9.45 5.10 0.00 2.91 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 10 N 9.44 5.11 0.00 2.84 2.87 0.00 0.00 6.27 7.49 0.00 0.00 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 V 8.34 4.72 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 0.84 0.00 0.00 0.98 0.00 0.00 12 V 9.03 4.40 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 1.20 0.00 0.00 1.05 0.00 0.00 13 M 8.54 4.71 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 14 T 8.62 4.45 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 15 C 7.53 4.92 0.00 3.03 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 16 S 8.58 4.33 0.00 4.07 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 0.00 17 G 8.03 3.58 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 18 C 7.93 4.13 0.00 3.21 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 19 S 8.10 4.27 0.00 4.05 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 20 G 8.11 3.59 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 0.00 0.00 0.00 21 A 8.34 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.50 3.45 2.19 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 0.95 0.00 0.00 0.89 0.00 0.00 23 N 8.35 4.19 0.00 2.95 2.99 0.00 0.00 6.89 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.54 3.83 0.00 1.95 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 25 V 7.43 3.72 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 0.81 0.00 0.00 0.95 0.00 0.00 26 L 7.80 4.21 0.00 1.66 1.74 0.93 0.98 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 27 T 8.19 3.94 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 1.29 0.00 0.00 28 K 7.66 4.21 0.00 1.98 1.93 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.49 7.81 29 L 7.89 4.61 0.00 1.89 1.77 1.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.00 4.60 0.00 1.92 1.90 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 2.49 2.42 0.00 31 P 0.00 4.59 0.00 2.18 2.16 0.00 3.78 0.00 0.00 3.66 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 32 D 8.03 4.40 0.00 2.84 2.74 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 33 V 8.09 4.53 2.14 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 1.12 0.00 0.00 1.03 0.00 0.00 34 S 8.72 4.67 0.00 3.89 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 35 K 7.78 4.53 0.00 1.68 1.50 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.42 7.81 36 I 8.56 5.07 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.96 0.00 0.00 37 D 9.40 4.93 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.86 1.90 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 1.27 0.63 0.94 0.00 0.00 39 S 8.94 4.53 0.00 3.88 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 40 L 8.67 4.01 0.00 1.77 1.66 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.20 4.01 0.00 1.99 2.01 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 2.32 2.40 0.00 42 K 8.15 4.12 0.00 1.77 1.88 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 43 Q 7.75 3.60 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 44 L 8.05 5.25 0.00 1.60 1.55 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.05 4.73 2.24 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 0.88 0.00 0.00 0.98 0.00 0.00 46 D 9.43 5.40 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.92 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.13 0.00 0.00 48 Y 8.82 5.00 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 49 T 8.78 4.98 4.33 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 1.36 0.00 0.00 50 T 8.40 4.62 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 1.28 0.00 0.00 51 L 8.22 4.21 0.00 1.79 1.65 1.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.70 0.00 2.38 2.26 0.00 3.54 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 2.20 2.05 0.00 53 Y 8.53 3.19 0.00 2.43 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.37 4.41 0.00 2.86 2.77 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 55 F 8.20 3.92 0.00 3.23 3.30 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 0.00 56 I 7.94 3.61 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.87 0.00 0.00 57 L 7.82 3.25 0.00 1.41 1.67 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.06 3.81 0.00 1.92 1.80 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 2.38 2.42 0.00 59 K 7.38 3.79 0.00 1.69 1.71 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 1.35 7.81 60 I 7.37 3.74 1.60 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.74 0.00 0.00 61 K 8.08 3.91 0.00 1.79 1.79 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.38 7.81 62 K 7.59 4.09 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.48 7.81 63 T 7.55 4.01 4.20 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 1.19 0.00 0.00 64 G 7.81 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 0.00 0.00 0.00 65 K 7.44 4.14 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81 66 E 8.62 4.08 0.00 2.05 1.82 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 2.38 2.31 0.00 67 V 8.29 4.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.85 0.00 0.00 68 R 9.34 4.35 0.00 1.72 1.99 0.00 3.28 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 69 S 7.95 4.68 0.00 3.86 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 70 G 8.88 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.92 4.68 0.00 1.69 1.80 0.00 1.21 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.28 7.81 72 Q 8.44 5.20 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.69 0.00 73 L 8.58 4.35 0.00 1.14 1.42 0.65 0.64 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