NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1409 8.3349 116.7629 58.7805 63.6558 173.7435 2 H 4.4255 7.8807 126.9773 55.2568 28.7244 174.5564 3 Y 4.5930 8.1739 118.6093 56.5041 39.6066 175.9402 4 E 4.1803 8.8239 124.6580 56.8323 30.1956 175.9176 5 E 4.6398 8.3330 118.8515 55.2287 33.7918 176.3412 6 G 3.9885 8.7934 104.6702 44.6039 0.0000 170.9365 7 P 4.0905 0.0000 0.0000 63.8121 31.3117 177.1873 8 G 3.8829 8.9280 110.8665 45.6317 0.0000 173.6086 9 K 4.4216 8.2037 117.7709 56.0553 33.4565 176.1967 10 N 4.9035 7.8919 116.0777 52.2876 37.8476 174.4399 11 I 4.5061 7.1156 110.3195 59.4507 40.6621 172.6727 12 P 4.6215 0.0000 0.0000 62.6049 31.4044 175.6988 13 F 4.9193 6.6306 112.7699 54.8516 40.7121 174.4457 14 S 4.2231 8.7976 118.3693 58.5981 62.7520 173.9282 15 V 4.5488 8.0739 125.1082 61.5094 31.7955 176.5470 16 E 3.9865 8.1187 122.5201 58.9699 29.6282 177.1914 17 N 4.8711 7.8822 117.7719 51.3287 40.9578 175.1449 18 K 3.7804 8.4390 128.4238 59.3599 32.5465 178.7081 19 W 4.4827 8.6394 120.6143 59.1305 29.1889 178.5251 20 R 4.0342 8.1860 118.4206 58.9755 29.5841 178.2178 21 L 3.8985 7.9260 120.3857 58.0986 42.0489 178.3306 22 L 3.9191 7.7639 120.0312 58.5801 42.0028 178.9389 23 A 4.1383 8.0581 120.2003 55.0652 18.3200 179.6436 24 M 4.0223 8.2533 117.4799 59.0129 32.1354 178.8946 25 M 4.1814 8.4933 119.1038 58.6168 32.0480 179.1710 26 T 3.9731 7.8518 115.8908 66.7299 68.6447 176.8093 27 L 4.0725 7.9054 120.6002 58.3724 41.4325 178.5394 28 F 4.1242 8.7625 121.0516 61.3632 39.1488 177.0450 29 F 4.0998 9.1672 116.8891 60.3923 39.2361 177.9576 30 G 3.8469 8.4808 105.7243 48.0904 0.0000 175.8614 31 S 4.3138 8.4826 117.0619 60.7905 62.7153 176.9203 32 G 3.4602 7.4128 108.6255 47.7713 0.0000 175.2331 33 F 4.3470 8.2311 122.2363 60.7619 39.6288 176.6301 34 A 4.5237 8.3715 119.8434 54.4044 18.3301 179.1418 35 A 3.9963 7.9339 119.3866 55.2158 18.5462 177.8991 36 P 4.0912 0.0000 0.0000 65.8551 31.2868 178.6954 37 F 3.9735 8.0479 115.8382 60.6599 39.0095 177.3857 38 F 4.2139 8.6209 116.5489 59.6406 38.8089 178.0743 39 I 3.8507 7.8309 120.2492 64.0992 36.8560 178.5002 40 V 3.5080 7.6700 118.8130 66.0096 31.5478 177.9786 41 R 3.9226 7.7337 118.2145 59.7202 29.5716 177.9641 42 H 4.2263 7.8702 116.7943 59.4196 29.9816 177.0549 43 Q 4.0307 7.7756 118.7843 58.8132 28.6634 178.3394 44 L 4.1448 8.3474 119.0467 56.0144 42.9501 177.5837 45 L 4.7471 7.1784 118.8517 52.3538 41.0356 175.8991 46 K 4.5608 6.7241 116.4942 55.0446 36.7277 176.6137 47 K 3.9576 8.3617 121.7336 57.4699 32.2765 174.3566 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 S 8.33 4.14 0.00 3.88 3.90 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 2 H 7.88 4.43 0.00 3.04 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.17 4.59 0.00 3.00 2.87 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 4 E 8.82 4.18 0.00 1.98 1.91 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 2.34 2.30 0.00 5 E 8.33 4.64 0.00 1.90 1.80 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 2.22 2.49 0.00 6 G 8.79 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 0.00 0.00 0.00 7 P 0.00 4.09 0.00 2.03 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 8 G 8.93 3.88 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 0.00 0.00 0.00 9 K 8.20 4.42 0.00 1.87 1.80 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.29 7.81 10 N 7.89 4.90 0.00 2.75 2.83 0.00 0.00 5.84 7.81 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 11 I 7.12 4.51 0.97 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.03 0.71 0.00 0.00 12 P 0.00 4.62 0.00 2.23 2.16 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 13 F 6.63 4.92 0.00 3.08 2.94 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 14 S 8.80 4.22 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.07 4.55 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 0.79 0.00 0.00 1.01 0.00 0.00 16 E 8.12 3.99 0.00 1.99 2.05 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 2.34 2.39 0.00 17 N 7.88 4.87 0.00 2.76 2.71 0.00 0.00 6.96 6.07 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 18 K 8.44 3.78 0.00 1.50 1.72 0.00 1.07 0.00 0.00 1.11 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.65 0.21 7.81 19 W 8.64 4.48 0.00 3.55 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 4.03 0.00 1.95 1.97 0.00 3.22 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 L 7.93 3.90 0.00 1.82 1.73 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.76 3.92 0.00 2.05 1.94 1.21 1.09 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 23 A 8.06 4.14 1.43 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 0.00 0.00 24 M 8.25 4.02 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 25 M 8.49 4.18 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 26 T 7.85 3.97 4.54 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 1.30 0.00 0.00 27 L 7.91 4.07 0.00 1.99 1.77 0.96 0.82 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 28 F 8.76 4.12 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.17 4.10 0.00 3.22 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 30 G 8.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.48 4.31 0.00 4.01 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 0.00 32 G 7.41 3.46 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 0.00 0.00 0.00 33 F 8.23 4.35 0.00 3.09 3.21 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 34 A 8.37 4.52 1.54 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 0.00 0.00 35 A 7.93 4.00 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 36 P 0.00 4.09 0.00 1.65 1.83 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 37 F 8.05 3.97 0.00 3.27 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 38 F 8.62 4.21 0.00 3.19 3.16 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 39 I 7.83 3.85 2.02 0.00 0.00 0.84 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 0.90 0.91 0.00 0.00 40 V 7.67 3.51 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 0.89 0.00 0.00 0.80 0.00 0.00 41 R 7.73 3.92 0.00 1.89 2.02 0.00 3.06 0.00 0.00 2.78 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 42 H 7.87 4.23 0.00 3.32 3.51 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.78 4.03 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 44 L 8.35 4.14 0.00 1.66 1.71 0.89 0.93 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 45 L 7.18 4.75 0.00 1.65 1.60 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 K 6.72 4.56 0.00 1.77 1.61 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.44 7.81 47 K 8.36 3.96 0.00 1.66 1.61 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.23 7.81