NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1380 8.3033 120.2105 55.7709 31.0812 175.7064 2 W 4.4701 8.1454 119.8974 59.0579 28.6205 176.8183 3 D 4.4666 8.5070 119.3079 57.0878 40.5396 177.9652 4 R 3.8989 8.1826 119.4044 59.6247 29.9473 178.3185 5 E 4.0517 8.2496 117.5574 59.6243 29.5949 179.2460 6 I 3.9608 8.1135 119.7545 64.6062 37.1684 178.3190 7 N 4.4132 8.5573 117.4421 56.3351 38.3040 177.2419 8 N 4.3800 8.5864 118.2957 56.6439 38.6101 176.9113 9 Y 4.3375 8.4784 121.1634 60.9085 38.8561 178.0359 10 T 3.7908 8.2148 116.8448 66.8070 68.5133 176.8554 11 S 4.2401 8.3268 117.1062 61.3895 62.7499 176.4970 12 L 4.0043 8.3461 123.3507 58.2051 41.7936 179.0234 13 I 3.7010 8.0555 119.9092 64.8013 36.9589 178.0177 14 H 4.1649 8.2205 116.8698 59.0541 28.4514 177.9848 15 S 4.1481 8.4765 117.1538 61.6184 62.5892 176.8314 16 L 4.0073 8.3189 121.9591 57.8135 41.2941 179.4926 17 I 3.6986 8.0838 120.1074 64.5952 37.0722 178.3698 18 E 3.9631 8.4750 119.4941 59.3033 29.2495 178.9876 19 E 3.9583 8.5665 119.8149 59.3129 29.6167 178.8602 20 S 4.0909 8.4153 113.4790 61.4457 62.3792 176.1493 21 Q 3.9831 8.3701 120.9960 59.1331 28.4968 178.4810 22 N 4.4725 8.6586 117.8535 56.4983 38.5406 177.5247 23 Q 4.0145 8.3239 119.5437 58.8403 28.7112 178.4872 24 Q 3.9682 8.3473 120.8144 59.2968 29.0612 178.1807 25 E 4.1029 8.4663 119.8868 59.2454 29.4153 179.3193 26 K 3.9380 8.2106 119.6597 59.4445 32.2168 178.8126 27 L 4.1740 8.0309 119.2575 57.9886 41.5330 179.3935 28 E 3.9730 8.4329 118.5779 59.6021 29.4027 179.5285 29 Q 4.0274 8.3825 118.2289 58.8337 28.6566 178.5856 30 E 4.0123 8.6213 120.0967 59.4556 29.5526 179.3871 31 L 4.0271 8.2048 119.1770 57.7939 41.6987 179.5816 32 L 4.0224 8.1206 118.9777 57.8177 41.5700 179.2723 33 E 4.0454 8.4157 119.2576 59.2367 29.6301 178.8315 34 L 4.1920 8.4080 119.4864 57.9611 41.6580 179.1786 35 D 4.4660 8.7042 119.3004 57.1061 40.7337 178.7825 36 K 3.7878 8.1161 120.0385 59.4898 32.2155 179.0534 37 W 4.2199 8.3214 118.9102 59.4001 28.9240 178.4210 38 A 4.3057 8.8968 121.7395 55.3257 17.7923 179.8426 39 S 4.2036 8.3826 112.8311 61.6393 63.0274 176.7966 40 L 3.9799 7.9162 122.6606 57.2760 41.2597 179.5016 41 W 4.5306 8.7595 119.4955 59.6790 28.9174 178.0825 42 N 4.4530 9.0086 117.7311 56.4397 38.3132 176.6644 43 W 4.1705 8.6113 129.8392 60.4623 30.7391 177.5874 44 F 3.4614 8.8285 120.6838 61.3386 38.8732 176.8708 45 N 4.2597 8.6660 116.1016 56.2998 38.3032 177.5142 46 I 3.7245 8.0230 121.5052 64.6836 36.9804 178.5632 47 T 3.6742 7.4382 115.5760 66.6849 68.3128 176.0721 48 N 4.2920 7.9075 118.4749 55.9920 38.3681 177.3028 49 W 4.3495 8.3454 129.8165 60.5050 30.9660 178.0363 50 L 4.0891 8.5490 118.8359 56.9421 40.7754 178.9847 51 W 4.1100 7.7022 128.2593 60.6438 30.6237 177.0636 52 Y 3.8220 7.4491 114.8893 58.4230 37.4768 176.0670 53 I 3.6214 6.7738 121.6467 61.0963 37.5639 176.2223 54 K 3.9875 8.3840 123.8802 56.4871 32.0554 176.5090 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 E 8.30 4.14 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 2.25 2.29 0.00 2 W 8.15 4.47 0.00 3.42 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.51 4.47 0.00 2.73 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 4 R 8.18 3.90 0.00 1.86 2.02 0.00 3.07 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 5 E 8.25 4.05 0.00 2.63 2.24 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 2.76 2.58 0.00 6 I 8.11 3.96 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.96 0.00 0.00 7 N 8.56 4.41 0.00 2.96 2.90 0.00 0.00 7.06 7.71 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 8 N 8.59 4.38 0.00 3.01 2.92 0.00 0.00 6.69 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.48 4.34 0.00 3.10 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 10 T 8.21 3.79 4.45 0.00 0.00 0.00 0.00 0.00 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 11 S 8.33 4.24 0.00 4.04 3.95 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 12 L 8.35 4.00 0.00 1.90 2.00 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.06 3.70 1.85 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.80 0.00 0.00 14 H 8.22 4.16 0.00 3.38 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.48 4.15 0.00 4.06 3.94 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 0.00 0.00 0.00 16 L 8.32 4.01 0.00 1.83 1.73 0.98 0.72 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 17 I 8.08 3.70 2.02 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 1.51 0.76 0.92 0.00 0.00 18 E 8.47 3.96 0.00 2.17 2.01 0.00 0.00 0.00 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 2.38 0.00 19 E 8.57 3.96 0.00 2.13 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 0.00 2.32 2.37 0.00 20 S 8.42 4.09 0.00 3.98 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 21 Q 8.37 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 22 N 8.66 4.47 0.00 2.83 2.88 0.00 0.00 7.08 7.71 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 23 Q 8.32 4.01 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 24 Q 8.35 3.97 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 25 E 8.47 4.10 0.00 2.19 1.99 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 2.34 2.41 0.00 26 K 8.21 3.94 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 27 L 8.03 4.17 0.00 1.95 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.43 3.97 0.00 2.16 2.01 0.00 0.00 0.00 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 2.43 0.00 29 Q 8.38 4.03 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 30 E 8.62 4.01 0.00 2.16 2.03 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 2.36 2.53 0.00 31 L 8.20 4.03 0.00 1.82 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.12 4.02 0.00 1.89 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.42 4.05 0.00 2.20 2.16 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 2.60 2.57 0.00 34 L 8.41 4.19 0.00 1.98 1.79 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.70 4.47 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.79 0.00 1.80 1.81 0.00 1.32 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.71 1.14 7.81 37 W 8.32 4.22 0.00 3.62 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.31 1.50 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 0.00 0.00 39 S 8.38 4.20 0.00 4.07 4.26 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 0.00 0.00 0.00 0.00 40 L 7.92 3.98 0.00 1.59 1.43 -0.23 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.76 4.53 0.00 3.60 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.01 4.45 0.00 3.01 3.15 0.00 0.00 6.80 7.58 0.00 0.00 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 W 8.61 4.17 0.00 3.46 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 3.46 0.00 3.28 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.67 4.26 0.00 3.03 2.92 0.00 0.00 7.08 7.12 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 46 I 8.02 3.72 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.93 0.00 0.00 47 T 7.44 3.67 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 0.90 0.00 0.00 48 N 7.91 4.29 0.00 2.67 2.80 0.00 0.00 6.69 8.26 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 49 W 8.35 4.35 0.00 3.53 3.38 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 50 L 8.55 4.09 0.00 1.97 1.77 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 51 W 7.70 4.11 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.45 3.82 0.00 2.63 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 53 I 6.77 3.62 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.08 0.82 0.00 0.00 54 K 8.38 3.99 0.00 1.88 1.60 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 0.99 7.81