NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8954 8.3544 109.7358 45.6300 0.0000 173.2115 2 S 4.0297 7.8053 116.1383 58.3113 63.6664 171.2207 3 S 3.6125 9.6919 116.2788 59.2962 61.6362 171.9747 4 G 3.7818 8.3123 106.5353 44.3761 0.0000 172.9071 5 S 4.7164 8.0586 113.3762 56.2215 64.2459 175.1546 6 S 4.0850 8.4537 121.3463 59.6506 63.1390 172.0475 7 G 4.0241 8.7285 117.9630 45.1351 0.0000 173.4930 8 E 4.5080 8.5094 120.7365 54.3175 30.2279 174.7831 9 N 4.9255 8.0462 122.1632 50.5222 38.2200 173.7730 10 P 4.2640 0.0000 0.0000 63.6581 32.1024 176.7068 11 Y 4.8669 7.7817 116.9873 56.5137 41.5662 173.9257 12 E 5.2340 8.8603 124.5045 54.4058 32.8420 174.5986 13 C 4.5180 9.4403 127.2914 59.7820 32.5880 173.6556 14 S 4.5311 8.5814 115.6580 59.0455 63.8396 175.4093 15 E 4.0388 8.2156 119.3381 59.0816 29.5901 177.3942 16 C 4.3043 7.8516 111.7065 60.3758 30.7351 174.7885 17 G 4.2543 8.3384 107.8329 44.8694 0.0000 173.5402 18 K 4.3957 8.2209 118.8245 55.6993 33.9572 175.7283 19 A 5.1886 7.9111 121.9580 50.6077 21.6276 175.5493 20 F 4.7671 9.2715 120.7554 55.7218 41.9126 175.3198 21 N 4.6603 9.0721 118.1278 55.3900 39.0610 175.8455 22 R 4.7252 7.6160 115.6714 53.6932 34.1388 176.7868 23 K 2.4800 7.5631 121.6354 59.3650 32.2691 178.6462 24 D 4.2386 7.8432 118.5810 57.6765 40.8210 178.9222 25 Q 3.8082 7.8555 117.5491 58.9648 28.7530 178.8901 26 L 2.6568 6.8905 119.6967 57.6504 42.2435 178.7992 27 I 3.5307 7.5059 119.7711 64.6804 36.8984 178.3826 28 S 4.1132 7.9809 112.5578 61.3972 62.3849 175.5387 29 H 4.2734 7.7391 120.7727 59.3684 29.6172 176.9667 30 Q 4.0621 8.3366 120.2200 59.3556 28.4762 179.4541 31 R 3.8970 7.5194 117.9967 59.7178 29.8443 178.7295 32 T 3.8545 7.9633 108.7943 64.9108 68.5048 174.3563 33 H 4.7444 7.9733 117.0299 55.1860 28.8786 174.8047 34 A 4.6291 7.7723 121.8336 51.2145 22.4433 178.2883 35 G 4.2360 8.0797 106.9989 45.1722 0.0000 173.9216 36 E 4.4974 7.9639 117.7539 54.4505 29.5571 175.2257 37 S 4.5078 8.0527 117.5894 60.1861 65.0077 174.5697 38 G 3.7177 7.8674 109.2868 44.8249 0.0000 171.7953 39 P 4.2475 0.0000 0.0000 62.3466 29.8922 175.5581 40 S 4.2853 8.3190 119.7308 58.4133 61.8486 173.7981 41 S 4.3195 8.7450 123.8626 60.6158 63.6160 174.9685 42 G 4.0833 8.0344 111.7716 45.8551 0.0000 173.0412 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 G 8.35 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 0.00 0.00 0.00 2 S 7.81 4.03 0.00 3.92 3.77 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 3 S 9.69 3.61 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 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 0.00 0.00 0.00 5 S 8.06 4.72 0.00 3.82 3.74 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 6 S 8.45 4.09 0.00 3.89 3.79 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 7 G 8.73 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 0.00 0.00 0.00 8 E 8.51 4.51 0.00 1.92 1.87 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 2.18 2.28 0.00 9 N 8.05 4.93 0.00 2.80 2.76 0.00 0.00 6.96 8.03 0.00 0.00 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 P 0.00 4.26 0.00 1.26 1.88 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 11 Y 7.78 4.87 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.86 5.23 0.00 1.97 1.81 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 2.21 2.52 0.00 13 C 9.44 4.52 0.00 3.28 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.53 0.00 3.86 3.84 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 15 E 8.22 4.04 0.00 1.53 1.60 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 2.17 2.27 0.00 16 C 7.85 4.30 0.00 3.14 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 17 G 8.34 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 0.00 0.00 0.00 18 K 8.22 4.40 0.00 1.80 1.48 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 A 7.91 5.19 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.27 4.77 0.00 2.89 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 21 N 9.07 4.66 0.00 2.73 2.92 0.00 0.00 6.93 7.71 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 22 R 7.62 4.73 0.00 1.82 1.68 0.00 3.19 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 23 K 7.56 2.48 0.00 0.98 1.43 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.26 7.81 24 D 7.84 4.24 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 3.81 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 26 L 6.89 2.66 0.00 1.59 1.57 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.51 3.53 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.84 0.00 0.00 28 S 7.98 4.11 0.00 3.74 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 29 H 7.74 4.27 0.00 3.19 3.04 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.34 4.06 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 31 R 7.52 3.90 0.00 2.01 1.97 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 32 T 7.96 3.85 4.11 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 0.00 0.00 0.00 1.17 0.00 0.00 33 H 7.97 4.74 0.00 3.22 3.33 0.00 5.65 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 34 A 7.77 4.63 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 35 G 8.08 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 0.00 0.00 0.00 0.00 36 E 7.96 4.50 0.00 2.05 1.96 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 2.16 2.24 0.00 37 S 8.05 4.51 0.00 3.81 3.84 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 38 G 7.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.19 2.12 0.00 3.76 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 1.98 1.95 0.00 40 S 8.32 4.29 0.00 3.85 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 41 S 8.74 4.32 0.00 3.89 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 42 G 8.03 4.08 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 0.00 0.00 0.00