NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8364 8.3549 109.7350 45.7829 0.0000 173.3812 2 S 3.5685 7.9166 108.1300 57.8409 60.4165 171.3712 3 S 4.6614 8.9795 114.3638 55.9073 67.6737 173.1517 4 G 4.3861 8.0098 116.8266 45.7063 0.0000 175.4296 5 S 4.3232 8.5033 125.3626 57.3084 65.4000 173.9042 6 S 4.2195 8.7675 122.3961 59.7298 63.4255 175.2535 7 G 4.0256 7.0899 108.4726 45.9785 0.0000 171.9582 8 K 4.5650 8.7830 120.8387 54.4508 34.3519 175.7108 9 A 4.4474 8.4664 125.4318 51.6160 19.5099 176.5528 10 A 4.7340 8.0295 121.1298 50.0594 22.7230 174.9026 11 R 5.1017 8.2585 122.1468 53.7883 32.5031 175.3906 12 L 4.2827 8.3758 126.3802 54.9185 42.0095 178.1888 13 K 3.5447 8.3021 123.9922 59.4843 32.1967 176.5285 14 F 4.6080 7.4596 114.1753 56.0067 42.7385 172.7388 15 D 4.5175 8.9065 121.6838 54.1893 39.0151 175.6185 16 F 4.9959 9.3263 126.9191 56.8374 41.6294 174.5456 17 Q 4.3296 7.3888 123.3330 53.6188 30.8912 175.1588 18 A 3.9073 7.5931 128.4023 51.7379 18.7855 176.9686 19 Q 4.0822 8.7548 124.7717 58.1109 29.4683 176.1853 20 S 4.7436 7.9022 113.2946 56.1955 64.4404 173.4181 21 P 4.0612 0.0000 0.0000 65.4926 31.6139 177.9598 22 K 4.1467 8.0565 118.6226 59.8315 33.7715 177.4432 23 E 5.0056 7.5327 118.6454 55.7007 30.5062 176.3223 24 L 4.9852 8.6555 119.2987 53.5538 45.1117 176.5946 25 T 4.6078 8.6469 119.6193 62.5515 69.6164 174.1903 26 L 4.9159 8.6527 124.5514 53.0160 46.1970 175.4504 27 Q 4.8369 8.8902 122.7156 53.8391 31.2933 175.2050 28 K 3.6148 8.6422 124.8543 58.8351 32.6865 177.2695 29 G 3.8698 8.5019 115.7229 46.4370 0.0000 171.9309 30 D 5.0299 7.6033 116.5690 52.2509 45.8975 176.3164 31 I 4.9102 8.1099 120.6718 58.9024 37.8291 175.5475 32 V 4.2093 8.0662 118.9961 59.5552 36.1061 173.8267 33 Y 5.1446 8.0869 120.2848 56.6128 40.2430 174.6894 34 I 5.1652 8.5172 125.2890 60.3658 37.7065 175.1509 35 H 4.7012 9.2564 128.2123 58.4018 30.1710 174.9460 36 K 4.7248 7.7200 115.2004 55.0792 36.7320 173.8808 37 E 4.5675 8.6288 121.5334 55.3846 29.9637 175.5241 38 V 3.8458 8.0231 127.0694 64.0999 32.5542 175.2943 39 D 5.0257 8.3684 116.4385 51.6233 44.7931 176.3371 40 K 3.9386 8.8794 121.6668 58.9223 32.2260 176.8302 41 N 4.9143 8.2517 113.1801 52.3154 39.6169 173.2414 42 W 5.4750 8.0911 118.1638 55.0945 33.5797 174.3471 43 L 5.0507 8.8555 120.9114 53.3087 46.3380 174.7960 44 E 4.5523 8.6443 122.3898 55.1294 31.8706 174.9858 45 G 5.0264 8.3155 110.4727 44.6630 0.0000 171.6450 46 E 5.1905 9.0084 119.9407 54.4926 32.3796 174.7795 47 H 4.7569 9.0068 121.7475 53.9400 32.9152 171.5426 48 H 4.0816 8.5694 124.9747 60.8194 29.2298 173.2782 49 G 4.2828 9.0983 117.6285 45.6395 0.0000 173.1461 50 R 4.6863 8.2450 118.0084 53.8422 33.4732 174.1499 51 L 5.2297 8.5451 123.0865 52.8150 46.3623 176.6618 52 G 4.1934 7.5007 113.3621 46.3211 0.0000 171.9948 53 I 4.8798 7.7275 117.6943 59.1857 41.7136 174.5633 54 F 5.4532 8.0100 116.3630 54.7518 41.8147 171.7856 55 P 4.0509 0.0000 0.0000 62.6538 31.8896 176.7439 56 A 4.2146 8.5442 124.5464 53.5599 18.1303 178.1624 57 N 4.3805 8.0246 114.4875 56.2703 39.6455 175.6382 58 Y 4.5354 7.7998 113.3540 58.0686 37.9031 174.8059 59 V 4.7248 7.3396 111.5238 59.6965 35.6676 174.4816 60 E 4.6140 8.1511 122.1125 54.2087 32.9464 175.4467 61 V 3.9206 8.4992 126.3206 62.5279 31.4307 175.6156 62 L 4.3554 8.3548 128.2294 55.2670 41.5265 176.2766 63 S 4.7767 8.2995 114.3116 56.6865 66.1364 173.8489 64 G 4.2071 8.1380 110.5990 43.0218 0.0000 172.6068 65 P 4.4943 0.0000 0.0000 63.5924 31.6556 177.7612 66 S 4.2278 7.4899 114.6163 61.1051 62.8692 174.9378 67 S 4.6014 7.6266 113.3867 55.6246 65.3573 173.5088 68 G 3.7498 8.6739 114.1767 45.9201 0.0000 173.3750 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 3.84 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 0.00 0.00 0.00 2 S 7.92 3.57 0.00 4.10 3.96 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 3 S 8.98 4.66 0.00 3.89 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 4 G 8.01 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.32 0.00 3.80 3.75 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 6 S 8.77 4.22 0.00 3.66 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 7.09 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 8 K 8.78 4.57 0.00 1.78 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 9 A 8.47 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.73 1.17 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 11 R 8.26 5.10 0.00 1.84 1.72 0.00 3.16 0.00 0.00 3.21 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 12 L 8.38 4.28 0.00 1.55 1.77 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.30 3.54 0.00 1.78 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 F 7.46 4.61 0.00 2.94 2.95 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 0.00 0.00 0.00 15 D 8.91 4.52 0.00 2.74 2.84 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 16 F 9.33 5.00 0.00 3.33 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 17 Q 7.39 4.33 0.00 1.66 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 18 A 7.59 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 4.08 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 20 S 7.90 4.74 0.00 4.08 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 21 P 0.00 4.06 0.00 2.17 2.17 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 22 K 8.06 4.15 0.00 1.78 2.05 0.00 1.41 0.00 0.00 1.69 0.00 0.00 2.50 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.34 7.81 23 E 7.53 5.01 0.00 2.09 2.28 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 2.61 2.16 0.00 24 L 8.66 4.99 0.00 1.91 1.72 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.65 4.61 4.26 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 1.26 0.00 0.00 26 L 8.65 4.92 0.00 1.65 1.47 0.67 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.89 4.84 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 28 K 8.64 3.61 0.00 1.87 1.78 0.00 1.94 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.36 1.31 7.81 29 G 8.50 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 0.00 0.00 0.00 30 D 7.60 5.03 0.00 2.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 4.91 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.85 0.00 0.00 32 V 8.07 4.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.51 0.00 0.00 33 Y 8.09 5.14 0.00 2.98 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 34 I 8.52 5.17 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 1.01 0.00 0.00 35 H 9.26 4.70 0.00 3.19 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.72 4.72 0.00 1.76 1.74 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.40 7.81 37 E 8.63 4.57 0.00 1.96 1.90 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 2.28 2.31 0.00 38 V 8.02 3.85 2.15 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 0.85 0.00 0.00 0.91 0.00 0.00 39 D 8.37 5.03 0.00 2.92 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 40 K 8.88 3.94 0.00 1.79 1.88 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 N 8.25 4.91 0.00 2.63 2.37 0.00 0.00 6.90 7.65 0.00 0.00 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 W 8.09 5.47 0.00 3.32 2.95 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 0.00 0.00 0.00 43 L 8.86 5.05 0.00 1.53 1.49 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.64 4.55 0.00 1.98 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 2.22 2.31 0.00 45 G 8.32 5.03 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 46 E 9.01 5.19 0.00 2.00 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 2.28 2.36 0.00 47 H 9.01 4.76 0.00 3.17 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.57 4.08 0.00 3.10 3.23 0.00 5.77 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 49 G 9.10 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 50 R 8.24 4.69 0.00 1.91 1.83 0.00 3.08 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 51 L 8.55 5.23 0.00 1.59 1.51 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.50 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 0.00 0.00 0.00 0.00 53 I 7.73 4.88 1.85 0.00 0.00 0.47 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 0.68 0.78 0.00 0.00 54 F 8.01 5.45 0.00 2.87 3.09 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 0.00 0.00 0.00 0.00 55 P 0.00 4.05 0.00 1.69 1.18 0.00 3.00 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.00 56 A 8.54 4.21 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 57 N 8.02 4.38 0.00 2.73 2.81 0.00 0.00 7.17 7.46 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 58 Y 7.80 4.54 0.00 2.91 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 59 V 7.34 4.72 2.03 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 0.38 0.00 0.00 1.02 0.00 0.00 60 E 8.15 4.61 0.00 1.95 1.71 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 0.00 2.19 2.21 0.00 61 V 8.50 3.92 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 0.86 0.00 0.00 0.95 0.00 0.00 62 L 8.35 4.36 0.00 1.77 1.63 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.30 4.78 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.14 4.21 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 0.00 0.00 0.00 65 P 0.00 4.49 0.00 2.19 2.17 0.00 3.81 0.00 0.00 3.70 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 66 S 7.49 4.23 0.00 4.02 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 67 S 7.63 4.60 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.67 3.75 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 0.00 0.00 0.00