NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3145 8.0433 122.7521 54.7204 43.9303 175.4083 10 L 4.3102 8.5525 126.5520 53.5974 42.0764 174.5182 11 L 4.8974 8.3717 125.9033 53.1579 45.5312 175.1524 12 E 4.6821 8.3164 121.2584 55.0826 32.1012 174.3155 13 C 4.8249 8.4607 122.8805 58.6083 29.5766 173.2038 14 T 5.5978 8.6360 117.4857 60.0189 69.9168 172.5218 15 E 4.2403 8.4147 124.9865 54.5144 31.8607 174.9742 16 C 4.2065 8.0213 123.2751 60.1848 29.3819 174.0888 17 K 3.8677 8.8530 120.8622 56.9777 29.5138 174.5451 18 R 4.6366 7.4290 115.3518 55.4905 34.3709 175.5035 19 R 4.4594 8.1343 112.4696 54.2375 29.1678 173.4217 20 N 4.8275 7.5643 121.3891 52.8553 43.2218 172.6975 21 Y 6.3000 8.4186 121.6608 56.1184 41.3959 174.2162 22 A 4.6767 8.0756 118.7620 51.0733 22.4392 175.9940 23 T 4.0495 8.4377 111.4276 62.1513 69.6495 173.3356 24 E 4.6026 8.4034 122.7264 56.0155 34.2748 174.8236 25 K 4.3212 8.2027 121.8292 56.1405 33.5522 174.6506 26 N 4.7741 8.2381 126.9538 52.6712 40.6202 173.8398 27 K 4.6432 8.1858 119.4773 53.8782 35.3230 175.0316 28 R 3.9015 8.8193 123.1550 58.4674 29.2995 176.8384 29 N 4.4727 8.9816 116.6891 56.2319 40.2997 175.1011 30 T 3.8560 7.8802 113.3793 63.2572 68.8456 170.6320 31 P 4.2279 0.0000 0.0000 62.1791 30.6047 174.1545 32 N 4.4095 7.7064 112.5132 53.0451 41.0963 174.1597 33 K 4.3221 8.9227 122.5361 57.0400 33.7037 176.8372 34 L 4.7008 7.5868 115.5165 53.6907 43.0698 175.5521 35 E 4.5252 8.2864 118.8204 54.0424 31.6777 174.7654 36 L 4.9517 8.2223 129.2065 55.3937 41.3912 176.7858 37 R 4.2995 7.9810 118.3918 56.6869 31.4249 176.5282 38 K 4.3624 8.6620 124.1167 57.3135 33.6519 174.5029 39 Y 4.6083 8.0563 122.7765 57.3181 43.0823 172.4938 40 C 4.4900 7.2132 119.8790 56.6535 32.7012 171.6181 41 P 4.7344 0.0000 0.0000 61.7451 32.2325 176.6963 42 W 5.2006 8.8185 128.2501 60.6686 30.8751 176.5914 43 C 4.1855 8.1525 115.2010 60.7759 28.6824 175.0130 44 R 3.5126 8.4252 123.2476 57.0864 28.4736 175.4618 45 K 4.4064 8.4855 119.2960 57.5127 36.1496 172.6245 46 H 4.5727 9.3310 124.6080 55.3221 27.2167 174.0383 47 T 4.8308 7.9411 112.8665 59.8122 71.7233 173.6825 48 V 3.9566 8.6530 116.9817 62.3688 33.0149 174.6539 49 H 5.2237 8.4358 121.4344 53.2721 30.9777 174.3300 50 R 4.3056 8.4417 122.3741 55.0564 31.8211 175.7827 51 E 3.9773 9.0673 121.9634 53.8417 29.5781 176.9539 52 V 3.6366 7.9251 124.2869 63.4469 32.6515 172.8579 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 9 L 8.04 4.31 0.00 1.73 1.74 0.90 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.55 4.31 0.00 1.62 1.55 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.37 4.90 0.00 1.68 1.43 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.32 4.68 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 13 C 8.46 4.82 0.00 2.76 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 14 T 8.64 5.60 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 15 E 8.41 4.24 0.00 1.97 1.76 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 2.17 2.24 0.00 16 C 8.02 4.21 0.00 3.11 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 17 K 8.85 3.87 0.00 1.87 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.38 7.81 18 R 7.43 4.64 0.00 1.85 1.80 0.00 3.58 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 19 R 8.13 4.46 0.00 1.70 1.81 0.00 2.95 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 20 N 7.56 4.83 0.00 2.73 2.79 0.00 0.00 6.88 7.56 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 21 Y 8.42 6.30 0.00 2.88 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 22 A 8.08 4.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.05 4.21 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 1.20 0.00 0.00 24 E 8.40 4.60 0.00 1.82 1.81 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 2.08 2.13 0.00 25 K 8.20 4.32 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.58 7.81 26 N 8.24 4.77 0.00 2.83 2.70 0.00 0.00 7.03 6.56 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 27 K 8.19 4.64 0.00 1.74 1.67 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 28 R 8.82 3.90 0.00 1.74 1.70 0.00 3.27 0.00 0.00 3.14 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 29 N 8.98 4.47 0.00 2.72 2.82 0.00 0.00 6.90 7.70 0.00 0.00 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 T 7.88 3.86 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 31 P 0.00 4.23 0.00 2.03 2.07 0.00 3.73 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 2.03 2.14 0.00 32 N 7.71 4.41 0.00 2.77 2.93 0.00 0.00 7.09 7.61 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 33 K 8.92 4.32 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.33 7.81 34 L 7.59 4.70 0.00 1.71 1.63 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.29 4.53 0.00 2.04 1.81 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 2.23 2.33 0.00 36 L 8.22 4.95 0.00 1.69 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.98 4.30 0.00 1.86 1.93 0.00 3.19 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 38 K 8.66 4.36 0.00 1.84 1.80 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 39 Y 8.06 4.61 0.00 3.02 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.21 4.49 0.00 2.50 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.73 0.00 2.37 2.37 0.00 3.86 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 2.21 2.31 0.00 42 W 8.82 5.20 0.00 3.19 3.07 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 43 C 8.15 4.19 0.00 3.03 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 44 R 8.43 3.51 0.00 1.91 1.84 0.00 3.24 0.00 0.00 3.21 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 45 K 8.49 4.41 0.00 1.72 1.72 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 46 H 9.33 4.57 0.00 3.31 3.36 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.94 4.83 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 1.25 0.00 0.00 48 V 8.65 3.96 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 0.84 0.00 0.00 0.96 0.00 0.00 49 H 8.44 5.22 0.00 3.11 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.44 4.31 0.00 1.75 1.87 0.00 3.58 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 51 E 9.07 3.98 0.00 2.04 1.75 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 2.35 2.28 0.00 52 V 7.93 3.64 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 0.80 0.00 0.00 0.95 0.00 0.00