NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2986 8.2644 123.5871 52.1932 19.3807 174.4044 3 R 4.2598 7.6762 121.4716 53.7611 31.5436 175.9553 4 K 4.1232 9.0520 126.4038 59.1809 33.4302 177.8724 5 A 4.1262 8.0277 121.2086 55.0473 18.4179 178.0371 6 L 4.4714 7.4270 111.4466 55.2923 42.1183 177.6469 7 I 4.1399 7.5143 120.8687 61.2581 36.2934 175.9274 8 E 4.5367 7.8493 115.4958 55.9174 30.4979 177.7766 9 K 3.3831 8.1152 121.5647 59.7152 32.3006 177.3594 10 A 4.3958 7.6949 118.6254 52.1573 19.2233 178.3035 11 K 4.1944 7.6115 114.7289 56.8742 33.1352 179.1570 12 R 3.2649 7.3417 119.1023 57.6347 30.0084 181.1832 13 T 3.4788 7.7846 114.2684 65.8380 63.9193 170.5490 14 P 4.4989 0.0000 0.0000 62.0029 32.4528 177.8124 15 K 3.7646 7.7083 124.7326 57.1706 32.2295 175.5588 16 F 4.9775 6.8269 116.0782 55.4290 41.9743 176.1393 17 K 3.9952 8.7670 125.4183 59.7114 32.4437 177.3543 18 V 4.2716 8.0747 111.7228 61.3135 31.5239 176.7848 19 R 4.2664 7.9262 119.8043 57.5218 30.6893 176.9481 20 A 4.4736 7.8726 119.9779 52.0406 19.0590 175.3549 21 Y 4.9928 7.9535 116.9985 55.6428 41.3490 175.4901 22 T 3.9540 8.6519 109.1090 63.9406 69.4499 174.4948 23 R 3.8981 7.7835 124.7635 54.5379 29.7729 175.8408 24 C 5.0586 8.1097 118.9804 54.8806 44.9886 174.9458 25 V 3.7209 8.3201 125.3975 62.9662 30.4434 175.6666 26 R 4.4417 7.3343 118.9861 58.1774 32.5493 173.8172 27 C 4.5880 7.9522 109.8873 55.9259 42.3018 174.1847 28 G 3.9452 7.8734 108.9328 45.7773 0.0000 174.7680 29 R 3.9527 7.6836 119.6433 56.4562 30.4860 176.3833 30 A 4.9404 8.4670 125.7788 51.9194 21.3591 176.4438 31 R 4.1043 8.2153 121.3005 57.7448 28.0869 180.0891 32 S 4.3801 9.1323 109.7005 57.5775 61.2839 172.6141 33 V 4.5819 7.3990 119.0514 60.5782 34.4636 176.0697 34 Y 4.7488 8.5246 124.0843 57.7724 38.9854 175.4265 35 R 4.6343 8.7985 116.0435 57.9123 33.5044 175.8300 36 F 4.1372 8.2018 119.5732 60.9332 39.9507 176.0371 37 F 4.2186 8.6900 120.8696 58.2458 39.6041 175.9653 38 G 3.9239 8.4830 108.0665 46.8053 0.0000 173.3578 39 L 4.7308 7.9961 119.1789 52.0494 44.2601 175.9436 40 C 4.1053 8.8335 118.6681 55.1379 42.0868 174.8308 41 R 3.9620 8.4319 120.3739 59.9892 28.6961 179.1669 42 I 3.7477 7.7157 119.7393 64.2589 37.2657 177.0393 43 C 4.4903 8.1834 114.0759 57.1050 39.7817 175.0042 44 L 4.0125 7.8887 123.3221 57.6477 41.9518 178.4766 45 R 3.8599 7.9932 118.9489 59.5255 29.6652 178.1383 46 E 4.0353 8.8590 118.7701 59.3429 29.5891 178.9930 47 L 3.9430 7.5279 118.1934 56.3795 41.7564 178.8247 48 A 4.1349 7.4954 119.9343 54.9275 18.4171 179.0979 49 H 4.3464 7.9627 113.8273 58.9922 28.3145 177.7451 50 K 4.2074 7.7894 119.5261 57.1569 30.2355 178.7838 51 G 3.9677 7.7149 106.2014 46.1636 0.0000 175.5703 52 Q 4.0377 7.5038 119.9725 57.6176 28.9133 176.4565 53 L 4.3714 7.4061 118.1582 52.6136 42.0526 174.4979 54 P 4.2925 0.0000 0.0000 63.9816 31.7898 175.5218 55 G 4.0739 8.9520 110.9160 45.5968 0.0000 173.2042 56 V 3.6629 7.0112 117.1242 63.2979 30.0409 174.8602 57 R 4.5117 7.9167 125.8225 53.5413 32.0871 175.7207 58 K 3.9772 8.4452 123.3067 56.1338 32.1959 176.6246 59 A 4.3826 8.4387 129.8507 52.4891 19.1500 176.5100 60 S 4.7081 8.3103 115.7417 57.4707 67.0796 174.7649 61 W 4.4465 8.1722 120.0515 57.2835 27.2189 174.1550 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 4.30 1.30 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 0.00 0.00 3 R 7.68 4.26 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 4 K 9.05 4.12 0.00 1.80 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 5 A 8.03 4.13 1.30 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 0.00 0.00 6 L 7.43 4.47 0.00 1.79 1.84 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.51 4.14 1.88 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 1.49 0.71 0.89 0.00 0.00 8 E 7.85 4.54 0.00 2.17 2.18 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 2.44 2.42 0.00 9 K 8.12 3.38 0.00 0.85 1.59 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.19 1.06 7.81 10 A 7.69 4.40 1.25 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 0.00 0.00 11 K 7.61 4.19 0.00 1.83 1.87 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.41 7.81 12 R 7.34 3.26 0.00 1.93 1.09 0.00 3.32 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 13 T 7.78 3.48 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 1.15 0.00 0.00 14 P 0.00 4.50 0.00 2.37 2.16 0.00 3.86 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 15 K 7.71 3.76 0.00 1.48 0.74 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.00 7.81 16 F 6.83 4.98 0.00 3.17 2.85 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 17 K 8.77 4.00 0.00 1.90 2.02 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.59 7.81 18 V 8.07 4.27 2.13 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 0.75 0.00 0.00 1.01 0.00 0.00 19 R 7.93 4.27 0.00 1.98 2.05 0.00 3.38 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 20 A 7.87 4.47 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 21 Y 7.95 4.99 0.00 3.06 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 22 T 8.65 3.95 4.29 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 1.25 0.00 0.00 23 R 7.78 3.90 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.13 0.00 24 C 8.11 5.06 0.00 3.02 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 25 V 8.32 3.72 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 0.74 0.00 0.00 0.94 0.00 0.00 26 R 7.33 4.44 0.00 1.82 1.83 0.00 3.12 0.00 0.00 3.25 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 27 C 7.95 4.59 0.00 3.17 3.33 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 28 G 7.87 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 29 R 7.68 3.95 0.00 1.88 1.85 0.00 3.13 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 30 A 8.47 4.94 1.45 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 0.00 0.00 31 R 8.22 4.10 0.00 1.78 1.41 0.00 3.29 0.00 0.00 3.27 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 32 S 9.13 4.38 0.00 3.86 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 33 V 7.40 4.58 2.15 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 0.81 0.00 0.00 1.07 0.00 0.00 34 Y 8.52 4.75 0.00 3.03 3.01 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 35 R 8.80 4.63 0.00 1.85 1.95 0.00 3.29 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 36 F 8.20 4.14 0.00 3.18 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 37 F 8.69 4.22 0.00 2.92 3.12 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 38 G 8.48 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 39 L 8.00 4.73 0.00 1.62 1.62 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.83 4.11 0.00 3.21 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 41 R 8.43 3.96 0.00 2.19 2.39 0.00 2.80 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 42 I 7.72 3.75 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 1.04 0.00 0.00 43 C 8.18 4.49 0.00 3.16 3.37 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 0.00 44 L 7.89 4.01 0.00 1.65 1.77 -0.25 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.99 3.86 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 46 E 8.86 4.04 0.00 2.02 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 2.35 2.48 0.00 47 L 7.53 3.94 0.00 1.90 1.74 1.03 0.87 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 48 A 7.50 4.13 1.20 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 0.00 0.00 49 H 7.96 4.35 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.79 4.21 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 51 G 7.71 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 52 Q 7.50 4.04 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 53 L 7.41 4.37 0.00 1.77 1.69 1.12 0.99 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 54 P 0.00 4.29 0.00 2.17 2.06 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 55 G 8.95 4.07 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 0.00 0.00 0.00 56 V 7.01 3.66 2.29 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 0.75 0.00 0.00 1.11 0.00 0.00 57 R 7.92 4.51 0.00 1.93 1.80 0.00 3.31 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 58 K 8.45 3.98 0.00 1.77 1.75 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.44 4.38 1.43 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 0.00 0.00 60 S 8.31 4.71 0.00 3.89 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 61 W 8.17 4.45 0.00 3.32 3.08 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 0.00 0.00 0.00 0.00