NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1597 8.0093 120.7865 61.0812 39.1260 174.6341 2 T 4.5445 8.2313 116.6698 59.5320 71.7808 171.3714 3 A 4.6707 8.8715 125.5312 50.4974 23.1411 177.7099 4 K 4.1653 8.3866 119.8020 55.3650 32.7325 175.3755 5 P 4.4018 0.0000 0.0000 62.1102 30.7464 175.8241 6 A 4.1117 8.3315 121.7436 51.9319 18.5534 178.9759 7 K 4.2881 8.7230 123.4626 59.3929 32.8326 177.9667 8 T 4.6876 7.1822 107.9045 58.6216 68.7551 171.6154 9 P 4.1765 0.0000 0.0000 64.2993 31.9752 177.2139 10 T 4.5789 8.0824 117.0442 61.4454 68.9072 174.4548 11 S 4.2784 8.9650 122.1205 57.3949 63.9405 173.8821 12 P 4.1710 0.0000 0.0000 66.0253 30.9852 178.8549 13 K 3.9011 8.0165 116.3496 59.5644 31.9702 178.8217 14 E 3.9294 8.2451 118.6076 59.7968 29.3758 179.4618 15 Q 3.9410 8.1736 117.0737 58.9843 28.6175 178.9907 16 A 3.8958 8.0569 121.7258 55.0151 18.4481 179.6079 17 I 3.6971 7.7849 118.4756 64.6532 37.3906 178.8670 18 G 3.7093 8.3120 106.6619 47.7885 0.0000 175.4064 19 L 3.9215 8.1711 122.8528 57.8689 41.9709 179.0533 20 S 3.9513 8.1788 115.3555 61.5966 62.7863 176.5176 21 V 3.6166 8.2931 121.0167 66.5821 30.7793 178.1531 22 T 4.0276 7.8598 114.5908 66.9123 68.3122 176.4814 23 F 4.1854 8.5251 119.5020 60.6337 38.9520 177.7683 24 L 4.1022 8.4174 118.9353 57.9391 41.3020 179.7953 25 S 4.4314 8.2856 112.5479 60.9931 62.8100 175.8605 26 F 4.2332 7.8191 120.1989 59.6145 39.4469 177.4520 27 L 4.3492 8.4233 118.6646 57.4184 41.6375 178.7712 28 L 4.0684 8.5617 119.8000 56.8208 41.5827 177.2582 29 P 4.2872 0.0000 0.0000 65.9602 31.4727 178.5688 30 A 4.1919 8.1256 118.7635 55.0825 18.3990 179.4772 31 G 3.7550 8.1918 104.3522 47.8374 0.0000 175.4103 32 W 4.2002 8.7678 131.4155 60.2484 30.5882 177.9010 33 V 3.8143 8.1689 116.7077 66.4768 31.0918 177.7958 34 L 4.2004 8.6329 118.6973 57.6524 41.2250 178.7787 35 Y 4.0457 8.3047 119.4923 60.0001 38.4362 176.6114 36 H 4.3656 7.3100 115.3301 55.1783 29.1336 176.6021 37 L 4.0087 7.1443 123.8817 58.0447 41.3856 178.6886 38 D 4.2297 7.8091 117.0493 57.7462 40.8979 177.9660 39 N 4.0949 7.7778 114.4981 56.3271 38.6020 176.4011 40 Y 4.5475 7.0169 117.4493 60.7839 38.0677 178.0530 41 K 4.0757 8.0736 118.0424 58.8146 32.2187 178.7097 42 K 4.1586 8.0589 116.7198 56.4670 32.3632 177.0313 43 S 4.5124 8.0634 120.9081 58.8065 63.2028 168.7837 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 4.16 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 8.23 4.54 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 8.87 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 8.39 4.17 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 5 P 0.00 4.40 0.00 2.17 2.07 0.00 3.77 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 1.99 1.96 0.00 6 A 8.33 4.11 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 7 K 8.72 4.29 0.00 1.76 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.18 4.69 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 4.18 0.00 2.19 2.13 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 10 T 8.08 4.58 4.23 0.00 0.00 0.00 0.00 0.00 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 8.97 4.28 0.00 3.98 3.99 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 12 P 0.00 4.17 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 13 K 8.02 3.90 0.00 1.83 1.85 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.59 7.81 14 E 8.25 3.93 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 15 Q 8.17 3.94 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 16 A 8.06 3.90 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 17 I 7.78 3.70 2.04 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 0.66 0.91 0.00 0.00 18 G 8.31 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 3.92 0.00 1.70 1.46 0.73 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.18 3.95 0.00 4.11 3.87 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 V 8.29 3.62 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 1.15 0.00 0.00 1.02 0.00 0.00 22 T 7.86 4.03 4.63 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 1.34 0.00 0.00 23 F 8.53 4.19 0.00 3.17 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 24 L 8.42 4.10 0.00 1.88 1.78 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.29 4.43 0.00 4.04 4.14 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 26 F 7.82 4.23 0.00 3.07 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 27 L 8.42 4.35 0.00 1.82 1.77 0.96 0.80 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 28 L 8.56 4.07 0.00 1.67 1.70 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 2.15 2.12 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 30 A 8.13 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 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 0.00 0.00 0.00 32 W 8.77 4.20 0.00 3.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.81 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 1.04 0.00 0.00 1.37 0.00 0.00 34 L 8.63 4.20 0.00 1.83 1.74 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.30 4.05 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.37 0.00 2.22 2.32 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.14 4.01 0.00 1.56 1.69 0.93 1.04 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 38 D 7.81 4.23 0.00 2.63 2.46 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 0.00 0.00 0.00 0.00 39 N 7.78 4.09 0.00 2.29 2.68 0.00 0.00 6.91 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 7.02 4.55 0.00 3.12 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 8.07 4.08 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 42 K 8.06 4.16 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.48 7.81 43 S 8.06 4.51 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00