NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2971 8.2644 123.5871 51.7098 18.9523 176.0236 3 R 3.9211 7.9108 121.7610 54.8497 31.3378 175.0098 4 K 4.0333 8.9035 123.5764 59.2774 33.3784 178.2814 5 A 4.1907 7.9984 120.1656 54.2697 18.6720 177.7589 6 L 4.5318 7.7965 114.4236 55.1037 42.7237 176.9830 7 I 4.5532 8.1613 120.8278 61.5355 37.5100 177.1321 8 E 4.2189 7.9765 118.6701 57.1797 29.9807 178.1584 9 K 3.8653 7.9798 120.3687 59.1816 32.0932 177.0525 10 A 3.9575 7.2696 119.0888 53.1502 18.3716 177.0013 11 K 3.9616 8.3094 118.2919 56.3771 31.2698 177.3799 12 R 3.9064 8.5394 126.4707 58.4862 30.2032 177.6995 13 T 4.4060 6.9249 108.3768 58.9602 67.6152 172.3132 14 P 4.2481 0.0000 0.0000 64.6407 31.9971 176.8385 15 K 3.9318 9.6597 117.5539 56.1703 31.1508 175.9488 16 F 4.7582 7.9367 117.0243 57.1702 41.3947 175.2010 17 K 4.3183 8.6270 128.4996 59.4447 32.9375 178.5309 18 V 3.6822 7.8676 111.0534 64.4663 31.5455 177.1879 19 R 4.2943 8.8174 116.3235 56.6164 29.7205 176.2187 20 A 4.4247 7.5878 122.2878 51.6084 19.4451 177.4417 21 Y 4.7637 8.1738 119.5309 57.2990 40.0384 175.8111 22 T 3.5406 8.0205 121.2561 64.5826 69.4141 170.0916 23 R 4.0102 8.0200 127.5278 55.3075 30.6052 175.9334 24 C 4.5075 8.3876 122.2625 59.0598 32.0813 175.0366 25 V 3.6823 8.9715 127.5537 64.2574 31.1328 177.1720 26 R 4.3331 7.9328 119.1488 57.2006 30.5453 176.1823 27 C 4.7111 8.0763 108.4152 56.7399 31.1982 174.6305 28 G 3.9102 8.5863 108.5324 44.9524 0.0000 172.7308 29 R 3.7464 8.1441 119.3778 56.3596 29.6280 176.2692 30 A 4.1131 8.6111 128.4737 55.3557 17.8157 177.8948 31 R 4.0515 7.7711 114.3519 57.4343 31.1142 177.1893 32 S 3.9619 8.7146 114.2459 59.7538 60.2841 172.4400 33 V 4.1757 7.1798 115.4272 60.4464 29.5863 175.9092 34 Y 4.3265 8.8293 123.1538 58.3390 38.8884 178.1610 35 R 4.1989 8.7629 119.4724 58.8072 30.8419 178.8335 36 F 4.1024 8.4649 116.3941 59.7753 39.2929 175.1409 37 F 4.7056 8.4241 116.1879 57.0035 41.7495 176.9029 38 G 4.0443 8.2928 106.6726 45.4893 0.0000 173.3481 39 L 4.7142 7.5533 119.9584 53.8178 43.3487 175.6938 40 C 4.9717 8.1454 115.8247 56.9973 32.9004 174.5547 41 R 3.8054 8.3876 118.2434 59.7481 28.5091 179.1572 42 I 3.7524 7.6262 119.6715 64.5300 37.2855 177.8050 43 C 4.2592 7.9449 118.2870 62.1176 28.0049 175.5540 44 L 3.5431 7.7805 121.8359 58.2076 41.2157 179.2768 45 R 3.6433 7.0514 116.0150 59.3787 30.0927 177.6267 46 E 4.1276 8.1745 118.4531 59.8668 29.5148 179.5560 47 L 4.0239 8.2691 118.5834 57.8318 41.5142 179.5576 48 A 3.9528 7.5996 119.3993 55.2064 18.2314 179.0393 49 H 4.4400 7.6980 114.1860 58.7977 28.9664 177.7476 50 K 4.1608 7.8490 119.1865 57.6670 32.4152 178.1310 51 G 4.0343 8.4063 106.8848 45.1650 0.0000 174.8013 52 Q 4.0672 7.8319 117.4793 57.3267 28.7164 176.1230 53 L 4.5723 7.3921 118.8566 51.8487 41.4121 173.8850 54 P 4.3564 0.0000 0.0000 64.3375 31.5920 174.8654 55 G 4.2854 9.2846 112.3881 45.5229 0.0000 174.0237 56 V 3.6412 6.6092 116.3991 63.3627 31.9755 175.0331 57 R 4.3451 7.9076 121.5147 55.1859 32.4593 174.2095 58 K 3.8801 8.8448 122.9341 56.7595 32.1440 177.0172 59 A 4.3886 8.4916 126.9718 51.8550 19.3633 176.3249 60 S 4.7505 8.7083 109.8921 57.8056 65.2318 176.8532 61 W 4.6531 8.5540 124.0940 57.1366 27.3499 174.0948 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 2 A 8.26 4.30 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.92 0.00 1.88 1.88 0.00 3.25 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 4 K 8.90 4.03 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 A 8.00 4.19 1.31 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 0.00 0.00 0.00 6 L 7.80 4.53 0.00 1.77 1.81 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.16 4.55 1.88 0.00 0.00 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 1.38 1.19 0.90 0.00 0.00 8 E 7.98 4.22 0.00 2.19 2.37 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 2.33 2.25 0.00 9 K 7.98 3.87 0.00 1.20 1.61 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.77 0.34 7.81 10 A 7.27 3.96 1.29 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 11 K 8.31 3.96 0.00 2.07 1.73 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 12 R 8.54 3.91 0.00 1.81 1.97 0.00 3.44 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 13 T 6.92 4.41 4.19 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 1.18 0.00 0.00 14 P 0.00 4.25 0.00 2.39 2.24 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 15 K 9.66 3.93 0.00 1.64 2.10 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.31 1.04 7.81 16 F 7.94 4.76 0.00 3.16 2.82 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 0.00 0.00 0.00 17 K 8.63 4.32 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.56 7.81 18 V 7.87 3.68 2.11 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 0.78 0.00 0.00 1.03 0.00 0.00 19 R 8.82 4.29 0.00 1.96 2.10 0.00 3.38 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 20 A 7.59 4.42 1.29 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 21 Y 8.17 4.76 0.00 3.05 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 22 T 8.02 3.54 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 23 R 8.02 4.01 0.00 1.91 1.95 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 24 C 8.39 4.51 0.00 3.15 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 25 V 8.97 3.68 2.11 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 0.79 0.00 0.00 0.95 0.00 0.00 26 R 7.93 4.33 0.00 1.80 2.00 0.00 3.18 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 27 C 8.08 4.71 0.00 3.07 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 28 G 8.59 3.91 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 0.00 0.00 0.00 29 R 8.14 3.75 0.00 1.93 1.95 0.00 3.27 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 30 A 8.61 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.05 0.00 1.92 1.89 0.00 3.28 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 32 S 8.71 3.96 0.00 4.14 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 0.00 33 V 7.18 4.18 2.19 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 0.80 0.00 0.00 1.06 0.00 0.00 34 Y 8.83 4.33 0.00 3.12 3.18 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 35 R 8.76 4.20 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 36 F 8.46 4.10 0.00 3.00 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 37 F 8.42 4.71 0.00 3.27 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 38 G 8.29 4.04 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 0.00 0.00 0.00 39 L 7.55 4.71 0.00 1.72 1.56 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.15 4.97 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 3.81 0.00 2.18 2.57 0.00 2.79 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 42 I 7.63 3.75 1.87 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 1.64 0.56 0.90 0.00 0.00 43 C 7.94 4.26 0.00 2.92 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 44 L 7.78 3.54 0.00 1.44 1.62 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.05 3.64 0.00 2.01 1.97 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 46 E 8.17 4.13 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 47 L 8.27 4.02 0.00 1.68 1.69 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.60 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.70 4.44 0.00 3.46 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.85 4.16 0.00 1.84 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.45 7.81 51 G 8.41 4.03 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 0.00 0.00 0.00 52 Q 7.83 4.07 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.39 4.57 0.00 1.84 1.81 0.54 1.04 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 54 P 0.00 4.36 0.00 2.22 2.12 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 55 G 9.28 4.29 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 56 V 6.61 3.64 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.13 0.00 0.00 57 R 7.91 4.35 0.00 1.76 1.73 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 58 K 8.84 3.88 0.00 1.82 1.81 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 59 A 8.49 4.39 1.50 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 0.00 0.00 0.00 60 S 8.71 4.75 0.00 3.86 3.82 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 0.00 0.00 0.00 61 W 8.55 4.65 0.00 3.40 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