NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1126 8.0093 120.7866 61.0551 39.1706 174.5520 2 T 4.4581 8.2501 116.7155 59.5406 71.0583 171.6802 3 A 4.6676 7.8584 124.6832 50.6072 23.2818 177.1495 4 K 4.3928 8.2294 118.6190 54.9944 34.0866 175.2319 5 P 4.3071 0.0000 0.0000 62.1381 31.8355 176.3895 6 A 4.0270 8.5101 123.1852 52.8937 18.5910 178.4342 7 K 4.2138 8.6985 122.3586 59.0081 32.6532 177.7709 8 T 4.5976 7.3241 107.4240 58.0483 68.4409 170.6627 9 P 4.0654 0.0000 0.0000 64.3237 32.1807 176.3078 10 T 4.8527 8.4374 118.6802 60.9215 68.8088 175.1196 11 S 4.3818 8.2294 122.0618 57.2921 65.2255 172.9445 12 P 4.1866 0.0000 0.0000 65.7370 31.0065 178.8857 13 K 3.9250 7.9392 117.7899 59.6019 32.1638 178.6217 14 E 3.9938 7.9875 118.4203 59.4996 29.2797 179.4159 15 Q 3.9884 8.5014 118.3299 58.7352 28.6521 178.5028 16 A 3.9400 8.1483 121.9529 55.0802 18.3014 179.7994 17 I 3.7158 7.7664 118.3637 64.5228 37.1607 178.9549 18 G 3.5736 8.1371 106.5775 47.5872 0.0000 175.5565 19 L 3.8425 8.2505 123.1386 57.9059 42.0370 179.2164 20 S 4.0001 8.1319 115.3084 61.6545 62.8261 176.8969 21 V 3.6280 8.0252 121.0485 66.1929 31.3875 178.1785 22 T 4.0371 8.2396 115.5734 66.9097 68.3300 176.6182 23 F 4.2627 8.8991 120.0516 60.7362 38.8864 177.8300 24 L 4.1272 8.5313 119.0531 57.6915 41.1740 179.6512 25 S 4.1924 8.2543 113.5492 60.9537 62.1881 176.1523 26 F 4.3321 8.0938 120.0809 59.9988 39.0764 178.0868 27 L 4.2692 8.3576 118.8274 57.5053 41.3571 179.5364 28 L 4.0389 8.2135 119.0514 57.4194 41.6651 177.7391 29 P 4.2931 0.0000 0.0000 65.5876 31.2806 178.5860 30 A 4.2132 7.6597 116.5674 55.1477 18.2698 179.8522 31 G 3.6810 8.5043 104.5298 47.6175 0.0000 175.6496 32 W 4.1931 8.7202 131.1160 60.2795 30.5834 178.1492 33 V 3.7714 8.0066 116.6349 66.3071 31.2268 177.6664 34 L 4.1609 8.4085 118.9781 57.9505 41.1713 178.9838 35 Y 3.9801 8.1089 118.9811 60.4190 38.8682 176.4504 36 H 4.2207 7.6911 115.5261 55.4738 28.7607 176.9376 37 L 3.8938 7.1546 124.4784 58.1491 41.4616 179.0533 38 D 4.2480 7.7065 117.1772 57.3438 41.0025 177.8145 39 N 4.3025 7.6929 115.4841 55.8568 38.4927 176.5271 40 Y 4.5718 7.0126 117.3468 60.7952 38.4361 177.2738 41 K 4.2943 8.0638 118.4103 58.1095 32.8428 176.9281 42 K 4.4302 7.4026 119.8581 54.4278 32.7407 175.9360 43 S 4.3137 8.2742 119.8283 58.9854 63.7284 176.0915 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 I 8.01 4.11 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 1.47 1.35 0.91 0.00 0.00 2 T 8.25 4.46 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 3 A 7.86 4.67 1.21 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 0.00 0.00 4 K 8.23 4.39 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 5 P 0.00 4.31 0.00 2.06 2.03 0.00 3.70 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 2.03 2.09 0.00 6 A 8.51 4.03 1.27 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 0.00 0.00 7 K 8.70 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.32 4.60 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 9 P 0.00 4.07 0.00 2.05 2.06 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 10 T 8.44 4.85 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 11 S 8.23 4.38 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.94 3.93 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 7.99 3.99 0.00 2.32 1.97 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 2.32 2.34 0.00 15 Q 8.50 3.99 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 16 A 8.15 3.94 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 17 I 7.77 3.72 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.91 0.00 0.00 18 G 8.14 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 3.84 0.00 1.68 1.66 0.44 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.13 4.00 0.00 4.03 3.88 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 21 V 8.03 3.63 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 1.07 0.00 0.00 1.01 0.00 0.00 22 T 8.24 4.04 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 23 F 8.90 4.26 0.00 3.01 3.14 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 24 L 8.53 4.13 0.00 1.94 1.78 0.96 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 25 S 8.25 4.19 0.00 4.06 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 26 F 8.09 4.33 0.00 3.23 3.10 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 27 L 8.36 4.27 0.00 1.78 1.78 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.21 4.04 0.00 1.72 1.75 0.94 0.94 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 29 P 0.00 4.29 0.00 2.17 2.09 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 30 A 7.66 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 4.19 0.00 3.51 3.50 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 33 V 8.01 3.77 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.33 0.00 0.00 34 L 8.41 4.16 0.00 2.02 1.76 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.11 3.98 0.00 2.98 3.04 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 36 H 7.69 4.22 0.00 2.30 2.17 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.15 3.89 0.00 1.75 1.65 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.71 4.25 0.00 2.60 2.49 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 0.00 0.00 0.00 0.00 39 N 7.69 4.30 0.00 2.39 2.74 0.00 0.00 6.90 7.46 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 40 Y 7.01 4.57 0.00 3.04 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 41 K 8.06 4.29 0.00 1.81 1.91 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.71 7.81 42 K 7.40 4.43 0.00 1.63 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.27 4.31 0.00 4.03 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