NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1457 7.9133 120.4444 61.7522 33.3349 174.7021 2 C 5.1004 8.6446 119.6258 54.9806 41.0968 171.9332 3 S 4.7909 9.4598 119.0008 57.0707 67.8207 172.2334 4 C 5.3010 8.8961 121.0167 56.3338 38.3489 173.2128 5 R 4.8982 9.0831 123.5237 54.1878 32.8100 177.2182 6 L 3.8918 8.9816 124.3382 57.6123 42.5838 177.0848 7 V 3.9579 7.7791 113.7894 63.6783 33.1948 174.9321 8 F 5.1449 7.7607 116.0318 55.6528 41.7151 175.9612 9 C 4.6822 8.6552 120.7403 56.2104 42.3819 173.9664 10 R 4.2954 8.7411 121.0658 56.0362 30.2171 178.5009 11 R 4.0068 8.3889 118.4678 58.9717 30.3157 177.9268 12 T 4.2958 7.8560 106.7689 61.8810 69.3794 173.5089 13 E 5.1925 7.9448 121.1724 54.6174 33.1977 174.8421 14 L 4.7318 8.5243 123.5456 52.9300 45.0611 175.4725 15 R 4.3982 8.7329 126.4655 57.0955 29.8722 176.0492 16 V 4.2148 8.7067 120.2869 61.3435 33.5832 177.2096 17 G 4.1564 7.2689 108.4293 45.8582 0.0000 171.2175 18 N 5.6090 8.7880 118.8598 51.4311 40.8681 174.8688 19 C 5.0269 9.0625 117.2934 55.1494 43.6749 172.7650 20 L 5.3748 8.5130 123.5296 53.5486 44.0111 175.6789 21 I 4.4969 8.7782 127.4205 60.5029 39.9901 176.0304 22 G 4.1234 9.9952 113.5484 46.5400 0.0000 174.3357 23 G 3.9168 8.5899 106.2010 44.8767 0.0000 174.1192 24 V 4.1664 7.7416 120.1441 60.9508 33.1284 174.1255 25 S 5.0859 8.2298 121.4228 57.4416 63.2723 172.9873 26 F 4.9829 9.4273 125.3613 55.9499 43.0241 174.1030 27 T 4.8293 9.0123 117.9235 62.7574 70.4273 173.5111 28 Y 5.0824 9.1256 128.3670 56.9647 40.1514 173.3105 29 C 5.4324 9.0512 125.1973 55.2635 43.2302 172.5205 30 C 5.5440 8.8195 121.0159 54.8561 43.1528 173.8663 31 T 4.6890 8.7471 114.6027 61.8829 68.8327 174.5116 32 R 4.5674 8.9312 118.2186 55.6785 30.9672 175.7959 33 V 3.9706 7.5330 123.2493 63.2473 31.8644 174.5078 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 V 7.91 4.15 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 2 C 8.64 5.10 0.00 2.73 1.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.46 4.79 0.00 3.62 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 4 C 8.90 5.30 0.00 2.71 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 5 R 9.08 4.90 0.00 1.79 1.87 0.00 3.29 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 6 L 8.98 3.89 0.00 1.73 1.69 0.86 0.44 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 7 V 7.78 3.96 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.74 0.00 0.00 8 F 7.76 5.14 0.00 3.09 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 9 C 8.66 4.68 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.74 4.30 0.00 1.97 1.85 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 11 R 8.39 4.01 0.00 1.78 1.97 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 12 T 7.86 4.30 4.23 0.00 0.00 0.00 0.00 0.00 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 13 E 7.94 5.19 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 2.27 2.19 0.00 14 L 8.52 4.73 0.00 1.71 1.46 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.73 4.40 0.00 1.90 1.88 0.00 3.29 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 16 V 8.71 4.21 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 0.77 0.00 0.00 1.12 0.00 0.00 17 G 7.27 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 0.00 0.00 0.00 0.00 18 N 8.79 5.61 0.00 2.93 2.79 0.00 0.00 5.72 7.68 0.00 0.00 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 C 9.06 5.03 0.00 2.98 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 20 L 8.51 5.37 0.00 1.62 1.55 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.78 4.50 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.88 0.00 0.00 22 G 10.00 4.12 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 0.00 0.00 0.00 23 G 8.59 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.74 4.17 2.29 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 0.43 0.00 0.00 0.92 0.00 0.00 25 S 8.23 5.09 0.00 3.87 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.43 4.98 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 4.83 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 1.32 0.00 0.00 28 Y 9.13 5.08 0.00 2.94 2.81 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 0.00 0.00 0.00 0.00 29 C 9.05 5.43 0.00 2.77 2.99 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 30 C 8.82 5.54 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.75 4.69 4.37 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 1.22 0.00 0.00 32 R 8.93 4.57 0.00 1.87 2.01 0.00 3.00 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.51 0.00 33 V 7.53 3.97 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 0.81 0.00 0.00 0.92 0.00 0.00