NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7984 8.3501 109.7339 44.7129 0.0000 172.2745 3 A 3.7170 8.4082 128.3588 52.4181 19.0017 177.0944 4 Q 4.4543 8.6097 126.5527 55.5726 29.4201 174.5512 5 V 4.2279 7.1439 110.9794 62.6455 32.5024 175.2183 6 D 4.6176 7.6986 117.5331 54.0947 41.6155 175.5693 7 C 4.1370 8.3565 112.9580 54.9693 38.0561 174.5593 8 A 4.3523 8.0362 124.6585 55.0285 18.9693 179.6314 9 E 4.2786 8.1453 112.4177 57.9456 29.5967 177.3031 10 F 4.8526 7.9821 112.9248 56.2183 36.4651 176.4738 11 K 2.4800 7.1856 121.5283 58.0034 32.2787 177.2377 12 D 4.8627 7.4951 120.9047 52.5652 42.9323 174.1027 13 P 4.6680 0.0000 0.0000 61.9624 33.1196 175.7571 14 K 3.7606 8.5164 122.6281 57.7688 30.8999 173.1112 15 V 3.9504 7.2291 116.8921 64.2520 33.9128 176.2159 16 Y 4.3229 8.0385 118.0611 55.1414 37.1458 175.0874 17 C 4.8176 8.0417 126.7421 56.7639 46.6428 172.8211 18 T 3.2469 7.9782 110.1172 63.1469 68.9967 173.1045 19 R 4.1403 7.7882 128.8006 54.2963 29.1340 175.3942 20 E 3.9727 8.4965 121.0359 57.1976 29.8983 177.9077 21 S 4.6878 8.6560 120.3151 56.9626 63.8574 173.9317 22 N 4.7220 7.4914 123.8021 52.2167 39.2096 171.8536 23 P 4.7812 0.0000 0.0000 62.7667 30.9077 175.0806 24 H 4.9457 8.7874 120.7326 53.4819 31.2052 172.7128 25 C 5.3716 8.3154 121.2155 54.5746 45.9640 173.7818 26 G 3.9505 9.2005 114.4723 46.5058 0.0000 172.0912 27 S 4.1227 9.3248 112.0470 61.7004 62.8496 174.9482 28 N 5.3950 7.9983 119.2211 51.5812 37.9876 175.9164 29 G 4.0394 8.3864 108.2699 47.7485 0.0000 173.7157 30 E 4.6803 7.9601 115.1767 55.2591 32.0049 173.8644 31 T 5.0564 8.4169 117.7857 62.4075 70.6518 172.9790 32 Y 4.5542 8.4947 129.3530 56.4889 40.7268 177.5110 33 G 4.7467 9.0003 117.0722 46.1549 0.0000 172.6792 34 N 4.4198 7.6516 119.9445 52.5403 38.6083 175.6171 35 K 4.2000 8.9665 125.1205 59.9457 32.3084 177.8754 36 C 3.3436 7.8349 113.4695 58.1505 40.7473 175.3802 37 A 3.9970 7.8598 123.5220 54.8372 17.8625 179.3062 38 F 4.0763 8.5299 118.6333 61.6308 39.4086 176.4509 39 C 4.2931 8.5599 118.0392 59.5931 43.2901 175.2426 40 K 3.8225 8.3793 120.0377 59.6343 31.8441 178.3023 41 A 4.0591 8.4329 121.2219 55.1639 18.2304 179.4389 42 V 3.3303 7.6402 115.9221 66.7535 31.4342 177.4527 43 M 4.0432 8.0657 116.9586 58.0403 32.9679 177.9400 44 K 4.4096 7.7729 119.4309 55.7493 31.1353 177.5697 45 S 4.3873 8.8506 115.4664 60.8067 64.5623 174.3971 46 G 3.4483 9.1989 113.8974 44.6130 0.0000 173.7911 47 G 4.2866 8.1098 109.8939 45.3179 0.0000 174.5822 48 K 4.5667 7.9738 114.6779 56.6972 33.3738 176.3904 49 I 4.6137 7.5372 121.2881 59.4263 36.8756 175.2002 50 N 4.8137 8.1252 124.0808 52.1827 41.1741 173.7380 51 L 5.0095 8.1968 115.8961 54.4150 43.8217 176.1001 52 K 4.7092 8.3178 119.1744 55.6570 33.3005 177.9199 53 H 3.9559 8.4124 117.1751 57.8710 29.1880 175.5659 54 R 4.3577 7.7562 116.5585 56.1811 30.3389 177.1811 55 G 3.5985 8.3676 113.6157 46.1599 0.0000 174.6424 56 K 4.2449 8.5409 126.1688 55.6742 32.6806 177.3622 57 C 4.7086 8.6330 116.1373 57.7302 41.0974 174.1111 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 G 8.35 3.80 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 0.00 0.00 0.00 3 A 8.41 3.72 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 4 Q 8.61 4.45 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.50 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 5 V 7.14 4.23 2.04 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 0.75 0.00 0.00 0.87 0.00 0.00 6 D 7.70 4.62 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.14 0.00 3.60 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.35 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 9 E 8.15 4.28 0.00 1.91 2.01 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 2.30 2.35 0.00 10 F 7.98 4.85 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.19 2.48 0.00 1.72 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.60 7.81 12 D 7.50 4.86 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.15 2.03 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 14 K 8.52 3.76 0.00 2.00 1.94 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.40 7.81 15 V 7.23 3.95 2.18 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 0.67 0.00 0.00 0.87 0.00 0.00 16 Y 8.04 4.32 0.00 2.73 2.26 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 17 C 8.04 4.82 0.00 2.79 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 18 T 7.98 3.25 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 1.19 0.00 0.00 19 R 7.79 4.14 0.00 1.80 1.95 0.00 3.27 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 20 E 8.50 3.97 0.00 1.92 1.88 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 2.33 2.41 0.00 21 S 8.66 4.69 0.00 3.85 3.85 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 0.00 0.00 0.00 22 N 7.49 4.72 0.00 2.70 2.96 0.00 0.00 6.14 7.76 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 23 P 0.00 4.78 0.00 1.92 2.05 0.00 3.59 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 2.05 0.00 24 H 8.79 4.95 0.00 2.39 3.16 0.00 5.40 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.32 5.37 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 26 G 9.20 3.95 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 0.00 0.00 0.00 27 S 9.32 4.12 0.00 4.06 4.17 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 28 N 8.00 5.40 0.00 2.82 2.89 0.00 0.00 5.71 7.00 0.00 0.00 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 G 8.39 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 30 E 7.96 4.68 0.00 1.50 1.79 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 2.24 2.47 0.00 31 T 8.42 5.06 4.32 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 1.26 0.00 0.00 32 Y 8.49 4.55 0.00 3.12 2.79 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 33 G 9.00 4.75 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 34 N 7.65 4.42 0.00 2.98 2.96 0.00 0.00 6.24 7.38 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 35 K 8.97 4.20 0.00 2.01 2.62 0.00 1.62 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 2.00 1.83 7.81 36 C 7.83 3.34 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.08 0.00 3.01 3.11 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 39 C 8.56 4.29 0.00 3.44 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 40 K 8.38 3.82 0.00 1.72 2.10 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 41 A 8.43 4.06 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 42 V 7.64 3.33 1.87 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 0.69 0.00 0.00 -0.07 0.00 0.00 43 M 8.07 4.04 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.76 0.00 44 K 7.77 4.41 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.43 7.81 45 S 8.85 4.39 0.00 3.93 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 46 G 9.20 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 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 48 K 7.97 4.57 0.00 1.82 1.82 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.40 7.81 49 I 7.54 4.61 1.85 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 1.30 1.79 0.98 0.00 0.00 50 N 8.13 4.81 0.00 2.69 2.79 0.00 0.00 7.02 7.78 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 51 L 8.20 5.01 0.00 1.57 1.69 0.85 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.32 4.71 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.55 7.81 53 H 8.41 3.96 0.00 3.03 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.76 4.36 0.00 1.89 1.94 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 55 G 8.37 3.60 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 0.00 0.00 0.00 56 K 8.54 4.24 0.00 1.77 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.41 7.81 57 C 8.63 4.71 0.00 3.01 3.26 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