NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6162 8.3249 119.4867 57.3626 40.4038 173.8300 2 E 4.5207 8.3261 121.2387 53.4107 32.4585 174.4956 3 N 4.5517 9.5386 121.9027 53.9841 39.4585 174.4080 4 R 4.6705 8.3341 125.6772 55.9728 31.3242 178.8298 5 V 3.6151 8.2627 120.4416 66.0501 31.4496 177.2034 6 A 4.4133 8.0360 121.3883 54.6480 18.1130 179.3176 7 E 3.9133 8.1205 116.1886 59.6762 29.6262 179.6318 8 K 4.1628 7.8629 118.3935 59.5265 31.9366 179.5189 9 Q 4.0822 8.7019 118.8975 58.7327 28.5054 178.6165 10 K 3.9375 8.1277 120.6473 59.4433 32.0579 178.5382 11 L 3.7962 7.6843 119.1469 58.1321 42.1131 178.4694 12 F 4.3982 8.2417 115.0925 58.8535 39.2018 176.7303 13 Q 4.5792 7.7283 115.9048 54.4893 29.4316 175.1697 14 E 3.8163 7.3137 121.5322 56.7034 29.7755 177.1206 15 D 4.6290 8.5453 126.9111 53.5026 39.3605 174.6635 16 N 4.7873 8.1661 116.8615 51.2886 38.0647 176.0295 17 G 3.9119 8.1395 104.8520 46.3854 0.0000 173.7622 18 L 4.3132 7.6412 119.9487 52.8107 42.6559 175.2435 19 P 4.4573 0.0000 0.0000 62.2128 32.4062 177.5401 20 V 3.7866 8.7000 120.8663 65.3722 30.9991 177.2705 21 H 4.6070 8.2578 112.7847 56.4810 28.9569 175.2602 22 L 4.7496 8.3653 118.8827 54.1071 43.5315 177.6412 23 K 4.1603 7.8920 118.7227 57.7721 32.1159 177.3528 24 G 3.6607 8.8986 106.6045 45.7484 0.0000 172.1462 25 G 3.6240 7.7840 104.9623 43.7730 0.0000 174.3342 26 A 4.0463 8.7995 119.6420 55.4872 17.9080 180.0750 27 T 3.8460 7.8709 113.9523 66.8662 68.5270 176.0804 28 D 4.4426 7.9524 120.3210 57.6307 40.8695 178.7072 29 N 4.3923 8.1990 116.1226 56.5939 38.5154 177.1009 30 I 3.7109 7.6271 120.6655 64.3577 37.1955 177.9333 31 L 3.9303 8.2810 121.1728 58.5633 41.8722 178.5716 32 Y 4.1159 8.3393 119.2280 61.0138 38.8447 178.4291 33 R 3.7789 8.2274 118.8813 58.8423 30.0244 179.4018 34 V 3.5042 8.0189 118.4462 66.2307 31.5343 178.0180 35 T 3.8013 8.0666 115.8063 67.0740 68.2940 176.2155 36 M 3.8639 8.1456 120.1121 58.8344 32.1376 178.4468 37 T 3.8118 7.8301 115.8899 66.4657 68.6464 176.7138 38 L 3.9642 7.9925 120.9220 57.9399 41.6787 179.3113 39 C 4.0889 8.2290 116.7095 63.0302 28.1416 176.3480 40 L 4.1467 8.2173 120.7829 57.5196 41.1687 179.9288 41 G 3.6471 8.7410 106.2401 47.9121 0.0000 176.0812 42 G 3.9535 8.7035 109.1881 47.6740 0.0000 175.9212 43 T 4.4646 7.9816 119.2821 66.0181 68.4641 176.8693 44 L 4.0719 8.0439 121.0170 57.9545 41.6701 178.8961 45 Y 4.4640 8.5901 120.1922 60.8478 38.7654 178.3185 46 S 3.9293 8.4623 115.6459 61.3826 63.0505 176.5203 47 L 4.0246 8.0402 122.6177 57.5688 41.2668 178.8186 48 Y 4.2833 8.1488 119.5844 61.0622 38.8164 177.8362 49 C 3.7202 7.9864 117.6061 62.4780 28.1085 175.9780 50 L 4.0343 8.0268 122.0512 58.1511 41.5250 179.2111 51 G 3.7587 7.9500 104.3641 47.4862 0.0000 175.1945 52 W 4.1642 8.3157 130.4713 60.3211 30.6234 178.0182 53 A 4.0772 8.1776 118.5024 54.5288 17.8632 179.3325 54 S 3.9891 7.9418 113.2170 59.5356 63.2319 174.3450 55 F 4.6501 6.9707 119.9211 54.3632 40.9281 173.6965 56 P 4.3117 0.0000 0.0000 63.1968 31.7878 176.1615 57 H 4.5909 8.2094 118.4046 57.6424 29.5801 174.5749 58 K 4.3420 8.0146 124.0984 56.9916 32.0052 174.6823 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 F 8.32 4.62 0.00 2.96 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 2 E 8.33 4.52 0.00 1.98 1.82 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 2.21 2.36 0.00 3 N 9.54 4.55 0.00 2.71 2.78 0.00 0.00 6.88 7.65 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 4 R 8.33 4.67 0.00 1.88 2.18 0.00 3.38 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 5 V 8.26 3.62 2.11 0.00 0.00 0.00 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 0.99 0.00 0.00 6 A 8.04 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.91 0.00 2.14 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 2.41 2.42 0.00 8 K 7.86 4.16 0.00 2.03 2.07 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.72 1.74 7.81 9 Q 8.70 4.08 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 10 K 8.13 3.94 0.00 1.96 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.68 3.80 0.00 1.53 1.69 0.68 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.24 4.40 0.00 3.21 3.09 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 13 Q 7.73 4.58 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 14 E 7.31 3.82 0.00 2.01 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 2.29 2.24 0.00 15 D 8.55 4.63 0.00 2.68 2.58 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 0.00 0.00 0.00 0.00 16 N 8.17 4.79 0.00 2.80 2.82 0.00 0.00 6.30 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.14 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 18 L 7.64 4.31 0.00 1.71 1.58 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.30 2.19 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 20 V 8.70 3.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 21 H 8.26 4.61 0.00 3.31 3.42 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.37 4.75 0.00 1.49 1.55 0.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.89 4.16 0.00 2.07 2.12 0.00 2.04 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.37 1.34 7.81 24 G 8.90 3.66 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 0.00 0.00 0.00 25 G 7.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.87 3.85 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 D 7.95 4.44 0.00 2.84 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 N 8.20 4.39 0.00 3.01 2.93 0.00 0.00 7.10 7.42 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 30 I 7.63 3.71 2.05 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 0.97 0.93 0.00 0.00 31 L 8.28 3.93 0.00 1.92 1.90 0.95 1.21 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 32 Y 8.34 4.12 0.00 3.18 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.78 0.00 2.11 1.93 0.00 3.28 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 1.68 1.81 0.00 34 V 8.02 3.50 2.25 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 1.02 0.00 0.00 0.94 0.00 0.00 35 T 8.07 3.80 4.31 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 1.20 0.00 0.00 36 M 8.15 3.86 0.00 1.62 1.40 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 2.48 2.45 0.00 37 T 7.83 3.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 L 7.99 3.96 0.00 1.83 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.23 4.09 0.00 3.06 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 40 L 8.22 4.15 0.00 1.71 1.71 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.74 3.65 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 0.00 0.00 0.00 42 G 8.70 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 0.00 0.00 0.00 43 T 7.98 4.46 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.04 4.07 0.00 1.99 1.79 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.59 4.46 0.00 3.06 3.19 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 0.00 0.00 0.00 0.00 46 S 8.46 3.93 0.00 3.99 4.05 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 47 L 8.04 4.02 0.00 1.97 1.82 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.15 4.28 0.00 3.16 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 49 C 7.99 3.72 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.03 0.00 1.68 1.87 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.32 4.16 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.08 1.46 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 54 S 7.94 3.99 0.00 4.01 3.50 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 55 F 6.97 4.65 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 56 P 0.00 4.31 0.00 2.11 1.97 0.00 3.85 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 H 8.21 4.59 0.00 3.02 3.31 0.00 5.97 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.01 4.34 0.00 1.81 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81