NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 3.1299 8.4449 120.1663 56.2434 30.5116 174.4585 2 Q 4.0174 7.3815 116.9853 56.1690 29.9598 172.5408 3 C 4.8580 8.0709 111.6330 54.1069 42.8898 173.9508 4 G 3.9881 8.9697 109.1929 44.6167 0.0000 173.8007 5 R 3.7464 8.5147 117.4724 59.8309 29.8361 178.7783 6 Q 4.1397 7.9122 111.5770 56.5177 28.3705 176.1018 7 A 4.4472 7.4722 118.9580 51.0249 20.0553 176.3410 8 G 3.6255 8.8259 104.2980 47.0378 0.0000 175.2623 9 G 3.8527 8.6218 104.9957 45.0663 0.0000 174.3424 10 K 4.1996 7.7190 118.8413 56.0138 32.7634 175.7344 11 L 4.9505 8.0701 119.8903 53.3382 44.6572 176.2494 12 C 5.0408 8.3715 115.9847 54.7180 42.9846 172.1193 13 P 4.5246 0.0000 0.0000 62.4496 31.7685 175.2769 14 N 4.1761 8.3422 116.0871 54.0435 38.8838 174.7068 15 N 4.7045 7.4997 109.8937 53.6406 39.2846 174.3157 16 L 4.4574 8.0483 119.4425 54.6879 43.0876 175.9040 17 C 4.7463 8.7097 118.3982 56.8427 42.3634 172.9354 18 C 5.6533 8.5017 119.5921 54.6829 42.6783 173.9428 19 S 4.5546 9.7417 121.9866 57.9090 63.3309 175.0667 20 Q 3.9583 8.7919 120.2405 59.3658 28.0959 178.4980 21 W 3.8987 8.4416 118.0084 58.2567 29.5412 176.0846 22 G 4.1669 7.6162 108.7733 45.8012 0.0000 173.3546 23 W 5.5018 9.1370 118.6666 54.7227 33.1154 174.2412 24 C 5.3461 8.3572 114.6127 56.5076 40.3807 172.5575 25 G 3.5987 8.4122 111.4589 42.8175 0.0000 173.8302 26 S 4.3612 8.4986 116.2500 57.1074 61.5779 168.7662 27 T 4.5735 7.3241 108.8396 60.3144 71.3087 175.0902 28 D 4.3266 8.6985 120.2021 57.5633 41.2717 177.8250 29 E 4.2544 8.3889 116.7188 58.9513 29.4580 177.2230 30 Y 4.6743 8.3145 113.5729 57.7971 39.5057 175.4608 31 C 4.7547 8.1902 115.8618 57.4200 42.0212 173.8470 32 S 4.3959 8.4907 120.2493 58.5844 62.5058 173.8082 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 E 8.44 3.13 0.00 1.37 1.12 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 2.19 2.43 0.00 2 Q 7.38 4.02 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 3 C 8.07 4.86 0.00 3.18 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 4 G 8.97 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 5 R 8.51 3.75 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 6 Q 7.91 4.14 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.67 0.00 0.00 0.00 0.00 0.00 1.93 2.19 0.00 7 A 7.47 4.45 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 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 0.00 0.00 0.00 9 G 8.62 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 10 K 7.72 4.20 0.00 1.91 1.73 0.00 1.49 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 11 L 8.07 4.95 0.00 1.60 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.37 5.04 0.00 3.11 3.02 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 13 P 0.00 4.52 0.00 2.23 2.19 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 14 N 8.34 4.18 0.00 2.82 2.85 0.00 0.00 6.81 7.79 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 15 N 7.50 4.70 0.00 2.82 2.82 0.00 0.00 6.04 7.79 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 16 L 8.05 4.46 0.00 1.56 1.54 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.71 4.75 0.00 3.09 3.29 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 18 C 8.50 5.65 0.00 2.99 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 19 S 9.74 4.55 0.00 3.95 3.80 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 0.00 0.00 0.00 20 Q 8.79 3.96 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.42 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 21 W 8.44 3.90 0.00 3.37 3.55 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 22 G 7.62 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 9.14 5.50 0.00 3.52 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 24 C 8.36 5.35 0.00 3.12 3.07 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 0.00 0.00 0.00 25 G 8.41 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.36 0.00 3.94 4.20 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 27 T 7.32 4.57 4.50 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 1.18 0.00 0.00 28 D 8.70 4.33 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.25 0.00 1.95 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 2.42 2.49 0.00 30 Y 8.31 4.67 0.00 3.02 3.05 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 31 C 8.19 4.75 0.00 3.00 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 32 S 8.49 4.40 0.00 3.96 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