NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4442 8.3049 118.1945 54.4397 32.8122 175.7652 2 K 3.8920 8.3724 120.7820 56.2173 34.1282 176.8040 3 L 4.0342 8.6616 121.6278 57.7464 41.8908 179.6148 4 K 3.9529 7.9669 119.3155 59.6314 32.2562 178.7533 5 Q 3.9783 8.0182 117.8867 58.7267 28.6495 178.6632 6 V 3.5270 7.7897 119.0403 66.0183 31.6179 177.7259 7 A 3.9942 8.3689 120.7921 55.4114 18.0419 179.1782 8 D 4.3251 8.2546 117.2085 57.5874 40.9220 179.3527 9 K 3.9764 8.0510 118.7239 59.5482 32.0833 179.4572 10 L 4.0185 8.0744 119.2192 57.8818 41.5748 179.5036 11 E 4.1197 8.3984 118.6250 59.1721 29.4431 179.0082 12 E 3.9565 8.0585 119.5354 59.0917 29.6471 179.0123 13 V 3.5782 8.0348 118.2237 65.7867 31.5655 177.6246 14 A 4.0334 8.4637 121.2601 55.5080 18.2584 179.8902 15 S 4.1785 8.0787 112.2319 61.2926 62.9938 176.8769 16 K 4.0624 8.0517 122.1360 59.3519 31.7541 179.2955 17 L 4.0001 8.2237 119.4725 57.8744 41.5816 178.8711 18 Y 3.9603 8.3052 119.6375 60.9070 38.7141 177.6613 19 H 4.1894 8.4857 119.1297 59.4996 29.9803 177.0687 20 N 4.2698 8.5403 118.2784 55.9953 38.2110 177.3013 21 A 3.8877 8.0940 122.4900 55.1887 18.4722 179.4184 22 N 4.1186 7.7402 114.8367 56.2917 38.5417 177.4610 23 E 3.8829 7.9655 119.9163 59.5216 29.5220 179.5139 24 L 3.9559 8.0266 118.7393 57.6652 41.6417 179.3985 25 A 3.9775 8.3371 121.4610 55.0116 18.3779 179.9265 26 R 3.8616 8.0341 114.7612 59.3879 29.6726 179.2923 27 V 3.5535 7.8207 118.8998 65.5314 31.5275 177.8165 28 A 3.9781 8.3230 120.9563 54.9340 17.9814 179.4516 29 K 3.8317 7.8083 117.0124 59.6186 32.5983 178.3569 30 L 4.1113 7.6713 118.7405 58.3285 41.4274 179.8405 31 L 4.1561 7.8860 117.1243 57.4477 41.6445 179.2105 32 G 3.7846 8.0649 103.6047 45.9303 0.0000 174.0419 33 E 4.3645 7.7103 125.0600 56.5062 29.8380 175.6770 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 4.44 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 8.37 3.89 0.00 1.94 1.78 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.65 7.81 3 L 8.66 4.03 0.00 1.68 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.97 3.95 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 5 Q 8.02 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 6 V 7.79 3.53 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 1.01 0.00 0.00 0.95 0.00 0.00 7 A 8.37 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.33 0.00 2.97 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 9 K 8.05 3.98 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 10 L 8.07 4.02 0.00 1.83 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.40 4.12 0.00 1.98 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 2.43 2.45 0.00 12 E 8.06 3.96 0.00 2.04 2.07 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 2.31 2.36 0.00 13 V 8.03 3.58 2.09 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 1.04 0.00 0.00 0.96 0.00 0.00 14 A 8.46 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.18 0.00 4.12 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 16 K 8.05 4.06 0.00 2.07 1.93 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.83 7.81 17 L 8.22 4.00 0.00 1.89 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.31 3.96 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.49 4.19 0.00 3.37 3.52 0.00 5.84 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 20 N 8.54 4.27 0.00 2.87 2.81 0.00 0.00 6.94 7.93 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 21 A 8.09 3.89 1.20 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 0.00 0.00 22 N 7.74 4.12 0.00 2.78 2.77 0.00 0.00 7.06 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 23 E 7.97 3.88 0.00 2.07 1.92 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 2.20 2.27 0.00 24 L 8.03 3.96 0.00 1.76 1.67 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.34 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.86 0.00 2.05 2.26 0.00 2.76 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 27 V 7.82 3.55 2.17 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 0.98 0.00 0.00 0.91 0.00 0.00 28 A 8.32 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.81 3.83 0.00 1.84 2.01 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.48 7.81 30 L 7.67 4.11 0.00 2.03 1.72 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.89 4.16 0.00 1.75 1.72 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.06 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 4.36 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00