NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5215 8.3049 120.3338 55.1895 33.4350 174.5109 2 K 4.4450 8.4080 120.5106 54.0931 34.5290 174.9547 3 K 4.6210 9.0231 121.6967 56.8368 34.3793 175.3818 4 Y 5.0220 9.1366 120.1145 56.5059 42.0970 174.5212 5 T 5.2063 9.1968 115.6816 60.2780 71.6665 172.4148 6 C 3.3850 8.7352 128.4924 58.7148 31.8055 174.5235 7 K 3.9423 8.8745 127.0705 59.3241 31.7230 178.8937 8 I 3.9760 7.7952 120.3300 63.4009 37.4449 176.3631 9 C 4.6221 8.1169 110.8416 57.2769 31.1274 174.7987 10 G 3.9111 8.3838 108.6735 44.6423 0.0000 172.9199 11 Y 4.2950 7.8536 120.8104 58.5483 39.9025 174.9111 12 I 4.7017 7.4746 125.7171 59.5671 39.3698 174.4129 13 Y 4.3359 9.2458 129.9021 57.0442 40.0216 173.5611 14 N 4.8281 7.9556 126.6284 50.9685 40.3235 173.5650 15 P 4.0868 0.0000 0.0000 65.5005 31.6351 178.3680 16 E 4.2638 8.3196 117.9152 58.4412 29.5334 177.3409 17 D 4.5282 7.9353 117.5843 53.4044 42.3245 178.1989 18 G 4.0414 7.8011 106.7375 45.3008 0.0000 172.7974 19 D 4.9802 8.5848 112.2258 52.2934 41.7393 175.3002 20 P 4.4667 0.0000 0.0000 65.6539 32.0954 179.3307 21 D 4.4406 8.2600 117.6783 56.4927 40.8467 176.5680 22 N 4.8925 8.3872 115.4381 52.9679 38.8694 175.5020 23 G 3.7953 8.4175 105.4088 45.5411 0.0000 174.2473 24 V 4.0529 7.4268 119.8943 60.6979 31.6694 174.9334 25 N 4.8257 8.3520 125.1926 51.9740 39.2776 173.2253 26 P 4.2686 0.0000 0.0000 64.7801 31.7753 176.9765 27 G 3.9154 9.3446 110.4910 45.4622 0.0000 173.4277 28 T 4.1990 7.3548 117.2785 62.1817 68.9592 174.4226 29 D 4.5473 8.5145 126.5258 53.8627 42.3309 176.4306 30 F 3.3354 9.0137 127.9251 60.9257 39.2963 177.3955 31 K 3.7807 7.9262 117.8931 59.5593 32.2124 177.1606 32 D 4.4474 7.7190 117.4879 54.6524 41.3016 176.9248 33 I 3.3916 6.6190 121.0362 60.1740 37.5709 174.2603 34 P 4.1906 0.0000 0.0000 63.2822 31.5998 176.6308 35 D 4.6519 8.5727 120.5593 55.1396 40.8661 176.5675 36 D 4.6918 7.7766 117.9425 52.7593 40.2705 176.6291 37 W 4.2167 8.1276 130.7829 57.6674 31.2127 175.2022 38 V 4.2591 6.8213 116.2048 58.6507 34.9528 175.0721 39 C 3.5526 8.5222 122.3076 59.2457 31.5594 173.0542 40 P 4.1669 0.0000 0.0000 64.5289 31.5538 177.4196 41 I 4.0043 7.3939 119.7172 63.3818 37.5661 176.2953 42 C 4.5388 7.8673 110.5489 57.2156 30.6920 174.6609 43 G 3.7358 8.2153 108.4297 45.3870 0.0000 173.7971 44 A 4.0964 7.5861 122.7839 51.2747 19.1227 176.1032 45 P 4.8694 0.0000 0.0000 61.7800 32.6918 177.4673 46 K 4.2674 8.8583 118.0109 59.7351 31.9751 179.5531 47 S 4.3061 8.2945 111.9375 60.6965 63.1055 174.5161 48 E 4.5164 8.7144 120.5030 56.3850 29.4171 175.0454 49 F 5.2641 8.4260 118.6616 56.1935 40.9839 175.3050 50 E 4.8466 8.9256 119.3883 54.7836 33.1535 174.3324 51 E 3.6590 8.5930 122.7902 55.8272 30.3257 177.1886 52 V 3.6456 8.0594 122.9970 63.2130 31.5063 175.5551 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 M 8.30 4.52 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 K 8.41 4.44 0.00 1.76 1.54 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.57 7.81 3 K 9.02 4.62 0.00 1.66 1.70 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 Y 9.14 5.02 0.00 2.69 2.57 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 5 T 9.20 5.21 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 1.21 0.00 0.00 6 C 8.74 3.39 0.00 2.47 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 3.94 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.46 7.81 8 I 7.80 3.98 1.82 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 1.43 0.74 0.89 0.00 0.00 9 C 8.12 4.62 0.00 3.04 2.99 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 10 G 8.38 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.85 4.29 0.00 3.17 2.99 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 I 7.47 4.70 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.85 0.00 0.00 13 Y 9.25 4.34 0.00 3.60 3.20 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 0.00 14 N 7.96 4.83 0.00 2.63 2.59 0.00 0.00 6.83 7.64 0.00 0.00 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 P 0.00 4.09 0.00 2.31 2.57 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 16 E 8.32 4.26 0.00 2.05 2.02 0.00 0.00 0.00 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 2.25 0.00 17 D 7.94 4.53 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.80 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 0.00 0.00 0.00 19 D 8.58 4.98 0.00 3.17 2.82 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 0.00 20 P 0.00 4.47 0.00 2.29 2.33 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 21 D 8.26 4.44 0.00 2.75 2.82 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 0.00 22 N 8.39 4.89 0.00 3.16 2.94 0.00 0.00 7.66 7.08 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 23 G 8.42 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 4.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.51 0.00 0.00 25 N 8.35 4.83 0.00 2.86 2.72 0.00 0.00 7.03 8.03 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 26 P 0.00 4.27 0.00 2.03 2.21 0.00 3.68 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 2.05 2.32 0.00 27 G 9.34 3.92 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 0.00 0.00 0.00 28 T 7.35 4.20 4.25 0.00 0.00 0.00 0.00 0.00 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 29 D 8.51 4.55 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.01 3.34 0.00 2.41 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 0.00 0.00 0.00 31 K 7.93 3.78 0.00 1.84 1.93 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 32 D 7.72 4.45 0.00 2.67 2.63 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 0.00 33 I 6.62 3.39 0.93 0.00 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.33 -0.04 0.00 0.00 34 P 0.00 4.19 0.00 2.22 1.94 0.00 3.38 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 35 D 8.57 4.65 0.00 2.62 2.67 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 0.00 0.00 0.00 0.00 36 D 7.78 4.69 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.13 4.22 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.82 4.26 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 0.80 0.00 0.00 0.64 0.00 0.00 39 C 8.52 3.55 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.05 1.99 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.73 0.00 41 I 7.39 4.00 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.93 0.00 0.00 42 C 7.87 4.54 0.00 3.01 2.97 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 0.00 0.00 0.00 43 G 8.22 3.74 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 0.00 0.00 0.00 44 A 7.59 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.87 0.00 2.31 2.24 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 46 K 8.86 4.27 0.00 1.90 2.01 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.72 7.81 47 S 8.29 4.31 0.00 4.06 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 48 E 8.71 4.52 0.00 2.29 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 2.36 2.45 0.00 49 F 8.43 5.26 0.00 3.18 2.82 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 0.00 50 E 8.93 4.85 0.00 2.01 2.02 0.00 0.00 0.00 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 2.25 0.00 51 E 8.59 3.66 0.00 1.66 1.61 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 1.47 1.94 0.00 52 V 8.06 3.65 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 0.74 0.00 0.00 0.87 0.00 0.00