NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2494 8.2644 123.5821 51.8037 18.6672 175.0858 3 K 4.4684 7.8421 121.6775 53.0668 36.3591 173.7147 4 H 3.6029 9.8613 117.3995 59.9671 29.9476 173.3899 5 P 4.5159 0.0000 0.0000 62.5424 32.7710 176.2578 6 V 4.4927 7.9984 119.7926 59.4527 34.0714 172.1659 7 P 4.2216 0.0000 0.0000 63.4113 31.6282 176.1461 8 K 4.3110 8.4859 121.3454 57.3016 32.9737 176.1640 9 K 4.4989 7.4276 115.4653 54.7058 35.9697 175.5277 10 K 4.0791 8.4468 122.4116 55.6963 31.5201 176.7275 11 T 3.8141 8.5167 117.6589 61.8712 68.8098 174.8727 12 S 4.3500 8.5307 121.4460 57.7210 65.1271 174.9878 13 K 3.8511 8.6546 121.1748 59.9301 31.6614 178.8869 14 A 3.9638 7.9989 120.1910 55.4336 18.3228 179.4620 15 R 3.8038 7.8382 115.2168 59.6215 30.0339 178.3496 16 R 3.8219 8.2029 117.8562 59.6258 30.2524 177.5914 17 D 4.5044 8.4633 117.7544 57.6232 41.1091 178.8675 18 A 3.9637 8.0971 120.9832 55.3114 18.1268 179.1401 19 R 4.0020 7.7463 114.5673 57.8569 30.3859 177.5261 20 R 3.8943 8.1839 116.9341 56.3601 30.5469 177.5677 21 S 4.1867 7.7062 115.4391 61.2241 62.7083 174.7054 22 H 4.9170 7.5418 116.7771 55.9204 28.6986 175.4360 23 H 4.4650 8.6727 119.6938 57.9807 28.9302 175.4286 24 A 3.8208 7.5895 120.8648 51.0987 17.6437 177.1182 25 L 4.2770 8.3891 123.3371 55.2764 42.4558 176.8890 26 T 4.6080 8.0113 109.8889 58.9469 71.1746 172.1895 27 P 4.3132 0.0000 0.0000 61.9140 31.9738 174.4394 28 P 4.4100 0.0000 0.0000 62.8650 31.8530 175.7361 29 T 4.3174 8.3284 110.6350 61.4334 69.9934 173.4872 30 L 5.2533 8.4694 125.0183 53.3463 45.7209 175.7651 31 V 4.5719 8.8456 112.8843 59.6982 36.6284 172.3990 32 P 5.0559 0.0000 0.0000 62.4628 32.7377 175.5931 33 C 4.3365 8.9201 123.9668 57.9138 31.9162 172.3069 34 P 4.2246 0.0000 0.0000 65.8824 31.0071 177.0795 35 E 4.4785 8.0980 113.5088 56.6606 30.2369 175.5738 36 C 4.5612 8.0434 119.7336 58.3430 33.5621 172.5377 37 K 4.4012 8.2009 115.2662 56.9702 34.2401 176.4691 38 A 3.9320 6.8617 119.7889 48.0945 20.9676 175.8487 39 M 5.0813 8.0995 120.1315 53.7661 34.5364 175.6154 40 K 4.4038 8.7248 121.3047 55.9066 36.9017 171.5644 41 P 5.1332 0.0000 0.0000 60.8593 31.9868 174.7946 42 P 4.2697 0.0000 0.0000 64.2090 31.7053 175.0276 43 H 4.3800 9.0525 113.5411 56.4360 25.9539 174.7814 44 T 4.5843 7.5203 106.3837 59.6138 71.7139 173.2398 45 V 2.7451 7.8222 122.6733 62.0407 31.8777 175.7865 46 C 3.9175 8.4819 127.5743 56.3769 43.2671 172.1811 47 P 4.2090 0.0000 0.0000 64.3321 31.1095 176.1780 48 E 4.4537 8.5953 117.2354 57.7777 32.3090 173.7706 49 C 4.5162 8.4281 109.9409 56.8562 43.2594 175.2181 50 G 3.9953 7.7402 103.5677 44.5317 0.0000 172.1159 51 Y 3.6409 8.1208 115.6904 58.5480 38.1740 176.6543 52 Y 4.2426 6.2816 122.4061 57.8804 36.1468 173.1980 53 A 4.2561 9.1046 130.7604 53.6038 17.0238 178.8793 54 G 3.8744 8.2265 102.5717 42.7223 0.0000 173.9324 55 R 3.9232 8.5291 123.4361 56.8133 30.5710 175.8430 56 K 4.4869 8.0771 121.6484 55.7454 35.8136 175.0201 57 V 3.1261 8.5199 108.7598 65.0891 30.5982 177.5347 58 L 4.1826 8.3565 130.0630 55.1418 44.2814 173.6503 59 E 4.5987 8.5543 123.3477 54.5041 31.4912 176.8280 60 V 3.8791 8.2316 120.8259 63.1036 31.6077 175.5931 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 2 A 8.26 4.25 1.28 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 0.00 0.00 3 K 7.84 4.47 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.58 7.81 4 H 9.86 3.60 0.00 3.14 3.07 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.52 0.00 2.08 1.95 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 6 V 8.00 4.49 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 0.68 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.22 0.00 2.06 2.06 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 8 K 8.49 4.31 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 9 K 7.43 4.50 0.00 1.73 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.45 4.08 0.00 1.71 1.75 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 11 T 8.52 3.81 4.24 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 0.00 0.00 1.21 0.00 0.00 12 S 8.53 4.35 0.00 4.07 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 13 K 8.65 3.85 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.47 7.81 14 A 8.00 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.84 3.80 0.00 1.92 1.93 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 16 R 8.20 3.82 0.00 1.80 1.97 0.00 3.34 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 17 D 8.46 4.50 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 18 A 8.10 3.96 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 19 R 7.75 4.00 0.00 1.97 2.15 0.00 3.22 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 20 R 8.18 3.89 0.00 1.90 1.97 0.00 3.22 0.00 0.00 3.30 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 21 S 7.71 4.19 0.00 4.06 4.02 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 0.00 0.00 0.00 22 H 7.54 4.92 0.00 3.15 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.67 4.47 0.00 3.31 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.59 3.82 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.28 0.00 1.66 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.01 4.61 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 1.22 0.00 0.00 27 P 0.00 4.31 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.41 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 29 T 8.33 4.32 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 1.22 0.00 0.00 30 L 8.47 5.25 0.00 1.50 1.56 0.92 0.95 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 31 V 8.85 4.57 2.08 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 0.63 0.00 0.00 0.92 0.00 0.00 32 P 0.00 5.06 0.00 1.94 1.97 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 8.92 4.34 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.19 2.23 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 E 8.10 4.48 0.00 1.97 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 2.31 2.29 0.00 36 C 8.04 4.56 0.00 2.83 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 37 K 8.20 4.40 0.00 1.71 1.76 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.39 7.81 38 A 6.86 3.93 1.22 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 0.00 0.00 39 M 8.10 5.08 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 40 K 8.72 4.40 0.00 1.71 1.85 0.00 1.15 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 1.30 7.81 41 P 0.00 5.13 0.00 2.09 2.08 0.00 3.33 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 42 P 0.00 4.27 0.00 2.02 2.05 0.00 4.00 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 H 9.05 4.38 0.00 3.40 3.52 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.52 4.58 4.16 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 1.28 0.00 0.00 45 V 7.82 2.75 1.88 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 0.62 0.00 0.00 0.61 0.00 0.00 46 C 8.48 3.92 0.00 2.86 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 47 P 0.00 4.21 0.00 2.17 2.12 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 1.95 1.97 0.00 48 E 8.60 4.45 0.00 1.85 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 2.20 2.22 0.00 49 C 8.43 4.52 0.00 3.02 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 50 G 7.74 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 0.00 0.00 0.00 51 Y 8.12 3.64 0.00 2.74 1.77 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 52 Y 6.28 4.24 0.00 3.16 3.08 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 0.00 0.00 0.00 0.00 53 A 9.10 4.26 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.87 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 0.00 0.00 0.00 55 R 8.53 3.92 0.00 1.77 1.87 0.00 3.27 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 56 K 8.08 4.49 0.00 1.93 1.84 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.44 7.81 57 V 8.52 3.13 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 0.70 0.00 0.00 0.98 0.00 0.00 58 L 8.36 4.18 0.00 1.57 1.57 0.92 0.84 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 59 E 8.55 4.60 0.00 1.94 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 2.23 2.21 0.00 60 V 8.23 3.88 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00