NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3880 8.2493 123.5822 52.0902 19.9333 176.0517 2 V 4.3479 8.1086 121.0140 57.7662 34.3401 172.5553 3 Q 3.9685 9.2700 121.0676 56.6098 30.0804 178.5473 4 Q 4.2405 8.6879 118.3461 57.6852 29.6163 176.0301 5 N 4.9721 7.6519 112.7542 50.6710 41.1622 174.2756 6 K 4.1790 8.4639 122.6977 55.6073 32.4593 175.1875 7 P 4.4216 0.0000 0.0000 62.7091 31.9318 176.1514 8 T 4.3089 8.1162 110.0849 60.9023 69.5683 175.9655 9 R 3.9871 8.4110 118.2187 58.3747 29.8359 178.1494 10 S 4.1424 7.9018 112.7723 59.5551 63.0539 175.5808 11 K 3.9989 8.3893 120.9863 59.7515 32.1131 177.4953 12 R 3.6438 8.2383 116.6449 59.4608 29.6336 178.7269 13 G 4.0071 7.7778 103.9396 48.0955 0.0000 175.2363 14 M 4.0441 7.8035 122.1211 58.0562 31.7962 178.9243 15 R 4.0505 8.2464 117.6517 58.3378 30.5122 177.6363 16 R 4.7324 8.0433 117.8406 54.9141 30.4140 177.6488 17 S 4.3685 7.6475 114.5785 60.9817 62.5581 174.9436 18 H 4.7560 7.9604 116.4127 56.1315 29.2477 176.1047 19 D 4.1087 8.5445 119.8089 56.0276 40.8737 176.5081 20 A 4.1265 7.1753 121.6865 52.0813 18.9268 176.8507 21 L 4.5445 8.0849 119.2572 53.8959 43.3382 176.4801 22 T 4.4176 8.0925 117.0309 61.7854 69.7901 175.0998 23 A 4.1289 8.3715 129.3680 51.9776 19.2617 177.3931 24 V 3.5743 8.2507 122.3193 65.4606 31.9525 178.9281 25 T 3.5177 7.8549 107.3738 62.1105 68.3804 172.1010 26 S 4.5323 7.6930 114.8106 57.8130 62.9176 173.5420 27 L 4.5969 7.5201 119.5954 56.6574 41.7416 175.9081 28 S 4.6359 8.5837 112.7534 57.1564 66.5885 173.5234 29 V 4.4181 8.2161 121.0638 62.3056 32.0366 174.8021 30 D 4.6957 8.7685 126.9164 52.9139 41.9345 177.4661 31 K 4.2052 8.7453 125.8980 60.0836 33.0422 178.1809 32 T 4.0831 7.7727 116.7417 65.0206 68.8964 174.9422 33 S 4.7844 7.2415 113.9240 55.4792 65.6408 174.0646 34 G 3.2949 8.6042 108.3886 45.7046 0.0000 173.9015 35 E 3.4539 8.8707 121.9632 56.7036 27.4521 175.0283 36 K 4.8446 8.2823 122.6286 55.8798 33.8607 176.1770 37 H 4.6033 8.4311 114.0809 54.9079 31.8253 174.1402 38 L 4.2857 8.1889 120.8783 54.9731 42.6484 176.9993 39 R 4.0619 8.5623 121.7578 57.8723 30.6157 175.4134 40 H 5.1402 8.8261 117.2370 55.9596 26.5592 173.9889 41 H 4.8535 8.0743 114.4611 53.6372 31.5504 173.7128 42 I 4.1885 7.9639 122.0234 60.8418 37.8240 176.6316 43 T 4.2025 8.9766 115.6879 61.1129 69.3554 175.2771 44 A 4.1243 8.7130 124.1460 54.5077 18.4639 178.0506 45 D 4.7398 7.6727 113.6821 54.2043 41.1721 177.1787 46 G 3.9741 8.4232 108.7403 45.4609 0.0000 172.7747 47 Y 4.6486 8.0514 116.4772 55.8593 39.9488 175.1478 48 Y 4.8036 8.6830 123.5118 57.8775 40.5091 173.7874 49 R 3.8717 8.8807 128.6664 57.3914 27.2709 177.3087 50 G 4.2522 9.1578 108.4157 46.6578 0.0000 166.6276 51 R 3.7594 8.5005 125.0452 55.7713 31.0887 176.4926 52 K 3.6830 8.2580 126.1363 54.8843 30.8657 176.7031 53 V 3.6324 7.8016 117.7870 61.7370 31.7904 176.8157 54 I 2.9760 8.2652 114.4725 62.8442 33.6371 174.7059 55 A 4.1571 8.5887 131.6868 54.3939 18.4803 177.3362 56 K 4.1857 7.3142 117.9769 56.5599 32.3098 176.1610 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 8.25 4.39 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 2 V 8.11 4.35 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 0.73 0.00 0.00 0.93 0.00 0.00 3 Q 9.27 3.97 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.69 4.24 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 5 N 7.65 4.97 0.00 2.66 2.70 0.00 0.00 6.84 7.61 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 6 K 8.46 4.18 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.42 0.00 2.08 1.98 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.12 4.31 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 9 R 8.41 3.99 0.00 1.98 2.23 0.00 3.11 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 10 S 7.90 4.14 0.00 3.87 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 11 K 8.39 4.00 0.00 1.72 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 12 R 8.24 3.64 0.00 1.89 1.90 0.00 3.18 0.00 0.00 3.17 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 13 G 7.78 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.80 4.04 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 15 R 8.25 4.05 0.00 1.87 2.16 0.00 3.23 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 R 8.04 4.73 0.00 2.02 1.90 0.00 3.21 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.46 0.00 17 S 7.65 4.37 0.00 3.91 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 18 H 7.96 4.76 0.00 3.20 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.54 4.11 0.00 2.85 2.72 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 20 A 7.18 4.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.54 0.00 1.64 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.09 4.42 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 23 A 8.37 4.13 1.23 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 0.00 0.00 0.00 24 V 8.25 3.57 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 0.99 0.00 0.00 0.92 0.00 0.00 25 T 7.85 3.52 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 1.23 0.00 0.00 26 S 7.69 4.53 0.00 3.97 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 27 L 7.52 4.60 0.00 1.79 1.63 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.58 4.64 0.00 3.82 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 29 V 8.22 4.42 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 0.89 0.00 0.00 0.92 0.00 0.00 30 D 8.77 4.70 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 4.21 0.00 1.88 1.92 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 32 T 7.77 4.08 4.18 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 1.23 0.00 0.00 33 S 7.24 4.78 0.00 3.54 2.88 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 34 G 8.60 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 0.00 0.00 0.00 35 E 8.87 3.45 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 36 K 8.28 4.84 0.00 1.66 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.43 4.60 0.00 3.34 3.41 0.00 5.48 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.19 4.29 0.00 1.39 1.52 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.56 4.06 0.00 1.70 1.79 0.00 3.32 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.41 0.00 40 H 8.83 5.14 0.00 3.43 3.43 0.00 5.77 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 41 H 8.07 4.85 0.00 3.38 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.96 4.19 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.92 0.00 0.00 43 T 8.98 4.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 44 A 8.71 4.12 1.38 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 0.00 0.00 45 D 7.67 4.74 0.00 3.00 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 46 G 8.42 3.97 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 0.00 0.00 0.00 47 Y 8.05 4.65 0.00 3.06 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 48 Y 8.68 4.80 0.00 2.87 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 49 R 8.88 3.87 0.00 1.74 1.76 0.00 2.95 0.00 0.00 2.81 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 50 G 9.16 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 51 R 8.50 3.76 0.00 2.04 1.91 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 52 K 8.26 3.68 0.00 1.26 1.53 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.26 7.81 53 V 7.80 3.63 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 0.79 0.00 0.00 1.01 0.00 0.00 54 I 8.27 2.98 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.90 0.00 0.00 55 A 8.59 4.16 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.31 4.19 0.00 1.79 1.70 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81