NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1378 8.0249 114.2747 61.1135 38.6867 174.8810 4 K 4.1809 8.4809 119.7001 55.5666 32.4996 171.6347 5 V 3.6991 7.5045 119.5279 63.5058 32.6902 174.6793 6 R 4.7305 8.0346 120.9888 54.3952 32.3813 174.3364 7 E 4.2762 8.5487 116.9428 56.2320 30.3833 176.3842 8 N 4.8113 8.5354 116.5820 53.2558 38.6789 174.5264 9 E 4.5227 7.6801 116.8600 54.5312 33.4503 172.9854 10 P 4.4066 0.0000 0.0000 61.7519 31.1524 175.0611 11 F 5.1143 8.1121 120.5175 56.5871 42.9747 174.3485 12 D 4.7986 8.6218 120.1770 54.3475 41.3864 178.1608 13 V 3.5716 7.9032 119.6966 65.5294 31.7548 176.5677 14 A 3.9551 7.9988 121.9838 52.2710 18.6138 176.2041 15 L 4.4560 7.7841 122.9709 52.9195 43.5602 176.6012 16 R 4.4378 8.3834 117.9690 56.2097 29.8604 176.7157 17 R 4.5391 7.5820 115.7699 56.3468 30.9241 177.1898 18 F 4.5347 7.9476 118.0943 60.6326 39.1627 177.5313 19 K 4.0747 8.1577 119.7843 58.9836 32.0543 177.3593 20 R 4.4725 7.8947 118.4000 56.4312 30.1168 177.4317 21 S 4.2860 8.1121 112.9164 60.8313 63.1164 174.9399 22 C 4.4816 8.0146 116.4366 59.3945 29.2336 173.5840 23 E 4.5905 7.8294 117.3031 55.1488 32.1981 175.0921 24 K 3.9917 8.7456 119.6278 57.1043 30.2254 176.1074 25 A 4.5724 7.6537 118.1523 51.1705 19.4565 177.3814 26 G 4.0027 8.5907 109.0342 45.7482 0.0000 174.1919 27 V 4.1059 7.6832 117.9535 63.6011 32.7791 175.3345 28 L 4.7885 7.5353 115.8668 53.6408 45.3529 175.2723 29 A 3.8613 10.0350 119.7041 52.6635 15.2746 178.5104 30 E 4.6488 7.7266 113.8384 57.9551 31.8109 175.4534 31 V 4.1666 8.0612 120.1078 62.8402 31.8859 174.6479 32 R 5.4307 7.6221 135.0000 56.5527 31.7346 173.2527 33 R 4.7450 7.5600 115.1529 54.3818 33.3276 174.8591 34 R 4.2030 8.4480 121.0365 55.8284 30.9802 175.7883 35 E 4.7098 8.3483 120.0790 54.6743 31.2002 175.6390 36 F 4.6610 8.6024 121.7729 55.6340 42.5748 175.1736 37 Y 4.5270 8.4831 122.3549 60.9993 38.3132 177.9738 38 E 3.9634 8.5906 120.5572 59.3460 30.0728 178.4217 39 K 3.9735 8.3606 116.5905 59.1419 32.1257 176.6903 40 P 4.4673 0.0000 0.0000 65.4801 31.7868 177.7151 41 T 4.0676 7.2943 115.1241 66.5746 68.6436 175.9062 42 T 4.0767 7.8350 111.8453 64.2901 69.0559 176.2489 43 E 4.2927 8.0249 119.7711 57.7258 30.2278 177.5428 44 R 4.0241 8.1521 117.9572 59.3244 30.1789 177.8699 45 K 4.5253 7.6342 113.5804 56.6364 31.6538 177.3842 46 R 4.3420 7.8952 121.0266 56.7477 31.6980 177.2131 47 A 4.3031 7.8389 117.7466 52.4210 19.1910 177.5833 48 K 4.4004 7.7604 116.5331 56.4809 33.4580 177.5513 49 A 4.1283 7.8394 120.7317 55.4390 18.2313 179.4875 50 S 4.0431 7.4255 112.3500 61.8279 63.0324 176.4662 51 A 4.1849 7.3816 120.8128 54.7700 18.3776 179.5195 52 V 3.7018 7.2737 114.8169 65.6423 31.7338 175.9031 53 K 4.1127 7.8070 123.0353 56.6114 32.0167 176.0440 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 3 I 8.02 4.14 1.89 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 1.65 1.16 0.92 0.00 0.00 4 K 8.48 4.18 0.00 1.85 1.88 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 5 V 7.50 3.70 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 6 R 8.03 4.73 0.00 1.90 1.84 0.00 3.09 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 7 E 8.55 4.28 0.00 2.27 2.02 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 2.27 2.35 0.00 8 N 8.54 4.81 0.00 2.86 2.99 0.00 0.00 5.88 7.66 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 9 E 7.68 4.52 0.00 2.06 1.75 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 2.27 2.32 0.00 10 P 0.00 4.41 0.00 1.91 1.91 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 11 F 8.11 5.11 0.00 3.02 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 12 D 8.62 4.80 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.57 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.74 0.00 0.00 14 A 8.00 3.96 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 15 L 7.78 4.46 0.00 0.27 1.09 0.63 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.38 4.44 0.00 1.90 1.99 0.00 3.11 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 17 R 7.58 4.54 0.00 1.82 2.02 0.00 3.39 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 18 F 7.95 4.53 0.00 3.16 2.90 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 19 K 8.16 4.07 0.00 1.92 2.02 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 20 R 7.89 4.47 0.00 1.80 1.94 0.00 3.26 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 21 S 8.11 4.29 0.00 4.05 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 22 C 8.01 4.48 0.00 2.99 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 23 E 7.83 4.59 0.00 1.93 1.84 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 2.22 2.20 0.00 24 K 8.75 3.99 0.00 1.89 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.43 7.81 25 A 7.65 4.57 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 26 G 8.59 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 27 V 7.68 4.11 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 0.93 0.00 0.00 0.94 0.00 0.00 28 L 7.54 4.79 0.00 1.62 1.51 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 A 10.03 3.86 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 4.65 0.00 2.04 1.99 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 2.11 2.16 0.00 31 V 8.06 4.17 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 0.83 0.00 0.00 0.95 0.00 0.00 32 R 7.62 5.43 0.00 1.87 1.92 0.00 3.24 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 33 R 7.56 4.74 0.00 1.77 1.78 0.00 3.39 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 34 R 8.45 4.20 0.00 1.74 1.60 0.00 3.10 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 35 E 8.35 4.71 0.00 1.91 1.94 0.00 0.00 0.00 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 2.40 0.00 36 F 8.60 4.66 0.00 2.94 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 37 Y 8.48 4.53 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 3.96 0.00 2.07 1.98 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 2.39 2.36 0.00 39 K 8.36 3.97 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.53 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.20 7.81 40 P 0.00 4.47 0.00 2.21 2.23 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 41 T 7.29 4.07 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 1.23 0.00 0.00 42 T 7.84 4.08 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 1.27 0.00 0.00 43 E 8.02 4.29 0.00 1.98 2.05 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 2.45 2.27 0.00 44 R 8.15 4.02 0.00 1.87 2.00 0.00 3.12 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 45 K 7.63 4.53 0.00 1.80 1.82 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.37 7.81 46 R 7.90 4.34 0.00 1.83 1.98 0.00 3.08 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 47 A 7.84 4.30 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 48 K 7.76 4.40 0.00 1.81 1.77 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.47 7.81 49 A 7.84 4.13 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 50 S 7.43 4.04 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.38 4.18 1.37 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 0.00 0.00 0.00 0.00 0.00 52 V 7.27 3.70 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 0.83 0.00 0.00 0.97 0.00 0.00 53 K 7.81 4.11 0.00 1.95 1.69 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.53 7.81