NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.0920 8.6904 120.7137 56.6830 38.5837 172.0034 2 A 4.7555 8.2198 126.6628 49.2246 23.3022 172.5773 3 K 4.8527 9.0552 118.2870 54.0520 36.5582 174.9476 4 K 4.6425 8.6532 121.5062 56.4518 32.4490 174.8370 5 R 4.1937 8.4626 128.7191 56.1011 27.2462 174.0853 6 N 4.7214 7.4975 115.3905 51.1405 39.8870 175.1906 7 W 4.8254 8.2050 120.5603 55.7627 29.9685 174.4090 8 C 4.8370 9.0584 111.1297 54.8226 42.9698 174.6260 9 G 4.0922 8.9176 114.3407 44.6260 0.0000 173.2140 10 K 5.3612 7.4632 116.1680 53.0033 36.0774 175.9654 11 N 4.7288 8.6171 116.3002 53.0805 36.7323 175.5861 12 E 4.3570 8.1904 118.7038 58.7883 31.4960 176.9831 13 D 4.9037 7.8110 116.3969 52.6124 40.6461 174.7179 14 C 5.1152 7.7327 119.4036 55.0671 44.2067 174.3561 15 C 4.8090 8.1369 122.1038 54.1903 41.9825 170.5900 16 C 4.0845 8.1952 119.8311 54.1538 37.0012 173.3071 17 P 4.5953 0.0000 0.0000 61.7891 30.2761 174.1080 18 M 5.1829 8.0366 122.5780 53.6046 36.2063 174.4024 19 K 4.6747 8.9807 122.1563 54.5656 36.2273 174.3107 20 C 4.8635 8.7184 124.0039 56.3732 44.9605 172.5231 21 I 4.1930 8.5522 125.4947 59.6105 40.5313 173.7833 22 Y 4.7774 7.9943 119.1820 57.8973 42.4192 176.7280 23 A 4.5875 8.6379 121.6696 52.1637 19.0977 176.3393 24 W 4.8071 8.5570 115.6782 57.2280 30.7784 177.8351 25 Y 2.3900 5.4873 116.1605 56.9518 36.8658 177.4322 26 N 3.8640 6.6159 116.9613 52.2198 38.2876 171.8084 27 Q 4.3789 9.1127 116.7334 56.2145 26.0766 173.2437 28 Q 4.4821 7.3143 112.5040 53.9949 32.5521 173.5589 29 G 3.3391 6.5193 105.0280 45.1723 0.0000 171.4858 30 S 4.7692 7.9670 113.4471 56.6448 66.5921 173.8788 31 C 4.7991 8.9504 126.8802 56.6308 42.5960 171.7982 32 Q 4.8348 9.0859 127.8441 53.6640 32.3801 175.4015 33 T 4.3293 8.0619 116.0278 60.6947 67.8778 171.9873 34 T 4.4518 6.8768 116.9894 62.3645 71.4304 172.7538 35 I 3.6117 8.9019 126.3948 61.2972 36.9132 174.0524 36 T 3.4394 7.2193 104.8511 60.6156 70.6277 173.9375 37 G 4.4756 7.7545 112.6166 44.4390 0.0000 173.0066 38 L 4.6110 7.0338 121.8658 55.9047 49.8100 175.8293 39 F 4.8059 7.3884 110.9176 56.6045 38.6521 176.6012 40 K 4.3007 6.7547 121.5279 54.5704 30.6878 175.8903 41 K 3.7345 7.7360 119.5325 57.3203 32.9644 176.4265 42 C 4.5579 8.6389 124.5312 56.7512 44.9045 173.1858 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 C 8.69 5.09 0.00 3.00 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 2 A 8.22 4.76 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.85 0.00 1.67 1.67 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 K 8.65 4.64 0.00 1.74 1.79 0.00 1.95 0.00 0.00 2.23 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.40 7.81 5 R 8.46 4.19 0.00 1.85 2.15 0.00 3.19 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 6 N 7.50 4.72 0.00 2.74 2.66 0.00 0.00 7.07 7.52 0.00 0.00 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 W 8.20 4.83 0.00 3.22 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 8 C 9.06 4.84 0.00 3.36 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 9 G 8.92 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.46 5.36 0.00 1.84 1.76 0.00 1.35 0.00 0.00 2.50 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 11 N 8.62 4.73 0.00 2.86 3.02 0.00 0.00 5.99 7.67 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 12 E 8.19 4.36 0.00 1.99 2.04 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 2.24 2.28 0.00 13 D 7.81 4.90 0.00 2.60 2.58 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 14 C 7.73 5.12 0.00 2.97 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 15 C 8.14 4.81 0.00 3.11 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 16 C 8.20 4.08 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 17 P 0.00 4.60 0.00 2.19 2.34 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 18 M 8.04 5.18 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 19 K 8.98 4.67 0.00 1.73 1.56 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.48 7.81 20 C 8.72 4.86 0.00 3.12 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 21 I 8.55 4.19 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.81 0.00 0.00 22 Y 7.99 4.78 0.00 2.81 2.62 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 23 A 8.64 4.59 1.11 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 0.00 0.00 24 W 8.56 4.81 0.00 3.52 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 25 Y 5.49 2.39 0.00 2.47 1.59 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 26 N 6.62 3.86 0.00 2.53 2.75 0.00 0.00 7.51 7.45 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 27 Q 9.11 4.38 0.00 2.10 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 28 Q 7.31 4.48 0.00 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 29 G 6.52 3.34 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 0.00 30 S 7.97 4.77 0.00 3.95 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.95 4.80 0.00 3.09 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 32 Q 9.09 4.83 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 33 T 8.06 4.33 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 1.31 0.00 0.00 34 T 6.88 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 1.20 0.00 0.00 35 I 8.90 3.61 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.90 0.00 0.00 36 T 7.22 3.44 3.82 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 1.24 0.00 0.00 37 G 7.75 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.03 4.61 0.00 1.58 1.68 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.39 4.81 0.00 3.16 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 40 K 6.75 4.30 0.00 1.53 1.59 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.37 7.81 41 K 7.74 3.73 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.54 7.81 42 C 8.64 4.56 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00