NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2536 8.2649 123.5822 52.0184 19.9031 175.5058 2 Q 4.2367 8.2277 118.5426 54.7938 30.4471 171.8269 3 E 4.6247 8.1566 117.9294 54.6822 32.3793 175.3321 4 P 4.4763 0.0000 0.0000 62.7290 30.1367 176.5544 5 V 3.1341 7.4888 120.1454 63.2580 32.2529 173.5438 6 K 4.5384 8.5317 116.6192 54.0978 34.7282 176.4571 7 G 4.5634 7.4132 117.1598 46.6976 0.0000 174.7806 8 P 4.6639 0.0000 0.0000 61.9723 32.8816 176.7476 9 V 3.8062 8.2335 106.4798 62.1250 31.7578 173.9191 10 S 3.5684 8.0361 120.1281 58.5669 61.5349 171.1223 11 T 4.3010 8.4260 124.0873 64.7833 69.2143 175.6923 12 K 4.6593 7.5263 119.5094 53.7803 33.2760 173.4494 13 P 4.2341 0.0000 0.0000 63.7658 31.5222 179.4598 14 G 4.0211 8.5371 110.7746 43.9058 0.0000 171.2889 15 S 4.7003 8.3926 114.1745 56.2572 65.3918 175.2078 16 C 4.4693 8.4924 124.2194 56.4214 40.6130 172.1288 17 P 4.4736 0.0000 0.0000 62.3135 30.8477 171.9529 18 I 3.0740 7.3688 127.0958 60.7929 39.6766 173.0949 19 I 4.3456 7.8116 126.7337 60.9685 40.8922 177.2742 20 L 3.3105 8.6789 125.1505 55.6147 43.5594 174.4404 21 I 4.5549 5.9371 118.8341 60.3534 44.4604 174.1154 22 R 4.2046 8.5045 117.7884 60.2999 31.8563 177.4789 23 C 3.8900 7.3536 113.7881 57.3580 41.1637 173.1753 24 A 4.5845 7.9372 134.6414 50.6372 19.2664 175.8215 25 M 4.1665 8.1938 123.7624 55.2619 32.1489 178.6349 26 L 4.7213 8.6804 125.2074 56.8835 41.3821 180.0520 27 N 4.7618 8.5797 113.7862 50.4584 38.0468 172.2647 28 P 4.5289 0.0000 0.0000 61.1135 32.5923 174.4552 29 P 4.7258 0.0000 0.0000 62.8772 32.8314 175.0840 30 N 4.9985 8.2226 115.3962 52.4617 41.9832 175.4171 31 R 4.3965 8.4721 121.8159 57.5196 30.8203 173.7847 32 C 4.8498 7.8442 111.4725 55.2214 44.0745 172.4254 33 L 4.7475 8.1565 119.1538 55.6223 49.8100 176.5282 34 K 4.3653 7.9647 115.2228 57.7111 35.0162 176.9226 35 D 4.6086 7.8387 118.3543 52.6676 40.0686 176.5138 36 T 3.8232 7.5007 115.0545 64.8696 69.4331 174.9314 37 D 4.9295 8.5026 127.7637 53.9752 41.5717 177.2740 38 C 4.5906 7.9750 116.9211 54.5231 41.3453 172.6785 39 P 4.5199 0.0000 0.0000 65.5513 31.2640 174.1399 40 G 4.0031 7.3766 117.0470 44.7758 0.0000 174.2553 41 I 4.4149 8.0382 120.2242 59.7336 37.4616 172.4375 42 K 4.6997 7.2553 122.2992 55.1999 36.0291 175.4465 43 K 4.3254 8.4957 119.1572 55.2366 36.1533 173.4463 44 C 5.2442 8.5788 128.5707 57.3935 39.2949 171.2431 45 C 5.2433 9.0113 129.4262 55.3268 47.2629 171.5538 46 E 4.8195 8.9186 118.1989 55.1373 31.1629 177.3175 47 G 3.6183 8.5822 118.7862 45.5557 0.0000 174.7076 48 S 3.2561 8.6233 107.2700 59.2774 61.4907 169.0413 49 C 3.6183 8.3645 127.6451 58.4290 36.7788 173.2788 50 G 4.2848 8.6544 112.1943 46.0347 0.0000 170.8155 51 M 5.2590 7.6573 119.0676 53.1801 35.8256 175.0987 52 A 4.3030 7.7580 119.2617 51.8904 23.1704 175.3065 53 C 4.5818 8.3895 115.0268 56.9939 41.7180 173.8135 54 F 5.2815 8.6742 122.9207 55.0441 42.6264 175.1227 55 V 4.1095 8.6964 123.2481 60.5928 31.7664 174.9839 56 P 4.8132 0.0000 0.0000 61.8672 31.0961 176.1183 57 Q 3.9379 7.9287 121.1102 57.4305 28.5232 174.1372 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 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 2 Q 8.23 4.24 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 3 E 8.16 4.62 0.00 1.95 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 2.24 2.27 0.00 4 P 0.00 4.48 0.00 2.18 2.09 0.00 3.92 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 2.12 1.95 0.00 5 V 7.49 3.13 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 0.87 0.00 0.00 0.93 0.00 0.00 6 K 8.53 4.54 0.00 1.76 1.71 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.35 7.81 7 G 7.41 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.19 2.04 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 V 8.23 3.81 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 0.65 0.00 0.00 0.94 0.00 0.00 10 S 8.04 3.57 0.00 3.99 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 11 T 8.43 4.30 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 K 7.53 4.66 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.39 7.81 13 P 0.00 4.23 0.00 2.20 1.93 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 14 G 8.54 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 15 S 8.39 4.70 0.00 3.81 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 16 C 8.49 4.47 0.00 2.93 2.78 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 17 P 0.00 4.47 0.00 2.10 2.13 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.95 0.00 18 I 7.37 3.07 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.86 0.00 0.00 19 I 7.81 4.35 1.77 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.43 0.92 0.00 0.00 20 L 8.68 3.31 0.00 1.64 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 I 5.94 4.55 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.90 0.00 0.00 22 R 8.50 4.20 0.00 1.70 1.80 0.00 3.31 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 23 C 7.35 3.89 0.00 3.03 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 24 A 7.94 4.58 1.25 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 25 M 8.19 4.17 0.00 2.02 1.82 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 2.54 2.45 0.00 26 L 8.68 4.72 0.00 1.71 1.23 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.58 4.76 0.00 2.71 2.80 0.00 0.00 6.78 8.02 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 28 P 0.00 4.53 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 29 P 0.00 4.73 0.00 2.10 2.12 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 30 N 8.22 5.00 0.00 2.59 2.82 0.00 0.00 6.89 7.83 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 31 R 8.47 4.40 0.00 1.63 1.93 0.00 3.18 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 32 C 7.84 4.85 0.00 3.01 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 33 L 8.16 4.75 0.00 1.62 1.68 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.96 4.37 0.00 1.70 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.32 7.81 35 D 7.84 4.61 0.00 2.61 2.60 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 36 T 7.50 3.82 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 1.23 0.00 0.00 37 D 8.50 4.93 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.59 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 4.52 0.00 2.16 2.09 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 40 G 7.38 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 41 I 8.04 4.41 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.92 0.00 0.00 42 K 7.26 4.70 0.00 1.74 1.66 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.47 7.81 43 K 8.50 4.33 0.00 1.84 1.64 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.52 7.81 44 C 8.58 5.24 0.00 2.97 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 45 C 9.01 5.24 0.00 3.47 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 46 E 8.92 4.82 0.00 1.91 1.85 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 2.24 2.27 0.00 47 G 8.58 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 48 S 8.62 3.26 0.00 4.06 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 49 C 8.36 3.62 0.00 3.10 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 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 0.00 0.00 0.00 0.00 51 M 7.66 5.26 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 52 A 7.76 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.39 4.58 0.00 2.66 2.91 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 54 F 8.67 5.28 0.00 3.13 2.83 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 55 V 8.70 4.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 56 P 0.00 4.81 0.00 2.22 2.18 0.00 3.59 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 57 Q 7.93 3.94 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00