NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9333 8.3549 109.7362 45.2768 0.0000 172.8013 2 K 4.3658 8.3491 118.4528 52.3302 34.3975 174.6459 3 K 4.4209 8.3518 123.6876 55.6119 35.4468 176.9450 4 S 4.5586 8.1395 116.4969 57.1948 66.1422 175.0603 5 K 3.9136 8.3924 120.8587 59.6432 32.0321 178.4466 6 A 3.9770 7.9346 120.5771 55.6275 18.4091 179.5515 7 T 3.8530 7.9216 114.1897 66.5284 68.4389 176.8416 8 K 3.9762 7.8685 121.2337 59.3934 32.3035 179.0986 9 K 4.1113 8.2710 118.9193 59.3938 31.9038 179.6774 10 R 3.9356 7.9547 118.1760 59.2071 30.1014 178.8790 11 L 3.9943 8.0235 118.5528 57.7393 41.7071 179.3990 12 A 3.9883 8.4818 120.9599 55.0272 18.2753 179.4611 13 K 3.8292 8.0129 117.9025 59.7872 32.0107 178.6373 14 L 4.5123 8.3043 120.8521 57.4147 41.3703 179.1870 15 D 4.3468 7.9819 116.5109 57.4036 41.2023 177.5673 16 N 4.4712 7.7616 116.2354 56.7123 39.4232 176.7328 17 Q 4.1724 8.3096 119.2295 57.8735 28.6858 176.0402 18 N 5.1067 7.7452 118.0107 53.3226 40.2584 174.4291 19 S 4.7662 7.2606 112.0902 55.5470 65.8295 173.4578 20 R 3.9112 8.1508 120.8946 56.1043 30.3425 176.2186 21 V 3.6637 8.2536 122.9184 61.7814 31.7792 173.8050 22 P 3.8240 0.0000 0.0000 62.2307 31.4536 176.7703 23 A 3.9604 8.7406 124.7988 54.8609 18.2188 179.5170 24 W 4.2435 7.9015 114.5589 59.3966 28.2437 178.6217 25 V 3.4990 6.9382 119.5169 65.8107 30.7054 177.7287 26 M 3.9919 7.6192 118.8481 58.4177 31.6547 178.5247 27 L 4.1454 7.7955 118.6227 57.3820 41.8186 178.7805 28 K 3.9132 8.2296 119.8296 59.9443 32.0933 177.8361 29 T 4.1285 8.1119 105.2604 61.5646 69.6166 174.0041 30 D 4.2838 9.1493 122.0247 56.2891 38.4024 170.7972 31 R 3.3143 8.8077 120.2136 56.0842 30.7523 176.9365 *35 R 3.8309 8.3722 119.8264 56.0312 30.3162 175.2259 36 N 4.5220 8.1517 123.1374 52.0414 37.6136 175.0058 37 H 4.1242 8.3681 122.2287 57.8661 29.0689 176.4964 38 K 4.4950 7.8896 117.2426 55.8652 32.0488 176.6155 39 R 4.0036 8.0487 119.6428 56.4224 30.3121 176.1946 40 R 4.7055 8.4018 121.7137 54.5384 33.4061 173.6482 41 H 5.0187 8.3116 121.4038 53.5892 32.5038 174.5993 42 W 4.2019 8.7596 123.8127 59.7917 28.1568 177.5134 43 R 3.6821 5.8400 117.7906 58.4456 29.5621 177.6131 44 R 3.9883 7.8071 114.9429 58.4170 30.8257 176.5400 45 N 4.9866 7.4733 116.8646 53.3665 39.5318 173.6836 46 D 4.3475 8.1235 117.2407 55.0349 44.4528 176.7941 47 T 4.3680 8.5623 122.0502 61.6683 70.1880 173.0621 48 D 4.8432 8.5751 120.6844 53.6966 43.7351 175.9920 49 E 4.1633 8.6826 118.5481 56.8640 28.8686 175.0124 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 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.35 4.37 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.35 4.42 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.14 4.56 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 6 A 7.93 3.98 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 7 T 7.92 3.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 K 7.87 3.98 0.00 2.05 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 8.27 4.11 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.79 7.81 10 R 7.95 3.94 0.00 2.05 1.97 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 11 L 8.02 3.99 0.00 1.91 1.72 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.48 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.83 0.00 1.94 2.04 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.49 7.81 14 L 8.30 4.51 0.00 1.92 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.98 4.35 0.00 2.67 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 16 N 7.76 4.47 0.00 2.92 2.99 0.00 0.00 7.29 6.82 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 17 Q 8.31 4.17 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 18 N 7.75 5.11 0.00 2.74 2.97 0.00 0.00 7.04 7.30 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 19 S 7.26 4.77 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.15 3.91 0.00 1.75 1.84 0.00 3.25 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 21 V 8.25 3.66 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 0.70 0.00 0.00 0.85 0.00 0.00 22 P 0.00 3.82 0.00 0.95 1.86 0.00 3.53 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 1.43 1.57 0.00 23 A 8.74 3.96 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 24 W 7.90 4.24 0.00 3.58 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 6.94 3.50 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 0.92 0.00 0.00 -0.41 0.00 0.00 26 M 7.62 3.99 0.00 2.00 2.19 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 2.57 2.81 0.00 27 L 7.80 4.15 0.00 2.00 1.76 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.23 3.91 0.00 1.96 2.04 0.00 2.05 0.00 0.00 2.02 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.52 7.81 29 T 8.11 4.13 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 1.29 0.00 0.00 30 D 9.15 4.28 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 3.31 0.00 1.88 1.91 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 *35 R 8.37 3.83 0.00 1.71 1.77 0.00 3.18 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 36 N 8.15 4.52 0.00 2.65 2.67 0.00 0.00 7.11 7.89 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 37 H 8.37 4.12 0.00 3.16 3.36 0.00 5.93 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.89 4.50 0.00 1.89 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 39 R 8.05 4.00 0.00 1.83 1.88 0.00 3.08 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 40 R 8.40 4.71 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.31 5.02 0.00 3.12 2.97 0.00 5.93 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.76 4.20 0.00 3.51 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 43 R 5.84 3.68 0.00 0.67 0.66 0.00 2.76 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 44 R 7.81 3.99 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 45 N 7.47 4.99 0.00 2.92 2.67 0.00 0.00 6.82 8.51 0.00 0.00 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 D 8.12 4.35 0.00 2.57 2.50 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 47 T 8.56 4.37 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 1.24 0.00 0.00 48 D 8.58 4.84 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 4.16 0.00 2.10 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 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.