NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4013 8.1293 118.4088 57.4103 38.2633 172.3309 2 P 4.0559 0.0000 0.0000 62.1073 31.3998 175.0873 3 A 3.5866 8.5964 124.4737 52.4864 16.4052 176.8498 4 K 3.9871 7.5608 122.1944 53.6128 32.0836 173.8216 5 P 4.4958 0.0000 0.0000 62.0541 32.6691 176.5252 6 E 4.3165 8.3769 119.9679 55.4967 30.4378 175.6893 7 Y 4.3516 8.4543 126.1770 56.7785 39.7592 173.9671 8 P 4.0524 0.0000 0.0000 66.6812 32.1934 174.7678 9 G 4.0684 6.9611 103.7867 44.0975 0.0000 173.9446 10 E 4.5932 8.7275 125.1023 56.5128 29.9309 177.3231 11 D 4.2989 8.1266 119.5160 56.3917 39.7807 176.7633 12 A 4.2030 7.4878 121.4663 50.5287 19.4018 176.9688 13 S 4.3630 8.3178 115.3986 57.9893 62.0165 174.4083 14 P 4.3816 0.0000 0.0000 65.2661 30.9089 178.1153 15 E 4.1765 7.9838 118.6474 58.3697 30.1557 177.1254 16 E 3.9599 8.1364 119.0483 59.3952 29.6426 178.5993 17 L 4.0425 7.9937 119.6635 59.0513 40.1549 179.2831 18 S 4.3673 7.4438 114.3298 61.4393 63.0467 176.6488 19 R 4.1108 8.4070 120.8868 59.5908 29.9415 178.1777 20 Y 4.0906 8.1097 119.2266 61.1730 38.6828 177.4446 21 Y 4.1837 8.7414 120.3173 60.9984 38.7072 178.1189 22 A 4.0396 8.1870 121.4229 55.4588 18.3349 179.4888 23 S 4.0251 7.9990 111.3908 61.2962 61.8330 176.2151 24 L 3.9963 7.4780 122.4291 58.2738 42.0244 178.7009 25 R 3.9461 8.6812 119.0156 59.5798 29.7733 177.6712 26 H 4.1304 8.6707 117.4506 59.5711 30.1036 175.8374 27 Y 4.3213 7.7084 121.4318 60.9185 38.5157 178.3251 28 L 2.9988 6.6523 119.0285 58.5728 40.2340 178.5874 29 N 4.6250 8.1214 117.9212 54.8692 38.8710 175.9209 30 L 4.2907 7.4626 119.0884 56.8892 42.4456 178.4447 31 V 3.8881 7.3988 117.7652 64.9876 31.5967 177.5221 32 T 4.1321 7.7491 107.1420 61.8955 67.9790 175.4072 33 R 4.8072 7.9912 120.5263 56.2119 30.8812 174.7353 34 Q 4.0706 8.2908 113.3228 56.2163 28.7257 176.3903 35 R 4.5800 7.8021 115.0249 55.3746 32.7754 174.3561 36 Y 3.6467 8.6022 119.0731 58.3024 39.7577 169.6259 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 Y 8.13 4.40 0.00 2.86 2.95 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 2 P 0.00 4.06 0.00 2.32 2.14 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 3 A 8.60 3.59 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 4 K 7.56 3.99 0.00 1.45 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.30 1.15 7.81 5 P 0.00 4.50 0.00 2.35 2.09 0.00 3.74 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 2.03 1.97 0.00 6 E 8.38 4.32 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 7 Y 8.45 4.35 0.00 2.92 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 8 P 0.00 4.05 0.00 2.09 1.69 0.00 2.20 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.00 9 G 6.96 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 10 E 8.73 4.59 0.00 2.01 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 2.35 2.30 0.00 11 D 8.13 4.30 0.00 2.73 2.74 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 12 A 7.49 4.20 1.16 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 0.00 0.00 13 S 8.32 4.36 0.00 3.90 3.81 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 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.29 2.34 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 15 E 7.98 4.18 0.00 2.04 1.98 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 2.34 2.31 0.00 16 E 8.14 3.96 0.00 2.08 1.94 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 2.41 2.39 0.00 17 L 7.99 4.04 0.00 1.84 1.94 1.18 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.44 4.37 0.00 4.17 4.04 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 19 R 8.41 4.11 0.00 2.12 2.06 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 20 Y 8.11 4.09 0.00 3.06 3.17 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 21 Y 8.74 4.18 0.00 3.48 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 22 A 8.19 4.04 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 23 S 8.00 4.03 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.00 0.00 1.56 1.73 1.12 0.98 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 25 R 8.68 3.95 0.00 2.18 1.96 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 26 H 8.67 4.13 0.00 3.19 3.52 0.00 6.03 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.71 4.32 0.00 3.10 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 28 L 6.65 3.00 0.00 1.43 1.23 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.12 4.62 0.00 2.87 2.91 0.00 0.00 7.12 7.47 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 30 L 7.46 4.29 0.00 1.89 1.70 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.40 3.89 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 0.97 0.00 0.00 0.99 0.00 0.00 32 T 7.75 4.13 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 1.17 0.00 0.00 33 R 7.99 4.81 0.00 1.72 1.86 0.00 3.33 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 34 Q 8.29 4.07 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 35 R 7.80 4.58 0.00 1.93 1.92 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 36 Y 8.60 3.65 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00