NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1609 7.9133 120.6689 62.9446 33.2507 173.9312 3 D 5.3566 8.6799 127.2915 52.5867 43.7972 173.5865 4 Y 5.0669 9.2790 119.2528 56.3056 42.1843 174.1088 5 I 4.7285 8.5332 122.6541 59.5236 40.4129 174.7844 6 V 4.1047 8.7405 129.8102 63.0738 31.8268 176.0029 7 E 4.3134 9.4043 127.0822 56.7722 31.5587 175.9710 8 Y 4.9131 7.8199 115.3897 55.8774 42.0712 174.9462 9 D 4.7918 9.2188 123.2568 55.2668 41.7325 175.2767 10 Y 4.6008 8.9963 123.1751 55.7706 42.4094 173.4591 11 D 5.0015 7.2587 124.7561 51.9148 43.0304 176.1518 12 A 4.2660 8.1168 127.3564 52.3968 18.8746 177.3797 13 V 4.1419 9.2095 121.3559 63.0854 32.8677 175.3774 14 H 5.0225 7.7666 115.1860 54.1672 32.6480 173.8467 15 D 4.3568 8.8698 121.9165 57.4823 40.8770 177.3668 16 D 4.6540 8.1078 116.2447 53.7148 39.9203 175.2566 17 E 5.2360 8.0127 119.6705 55.3369 31.6267 175.3371 18 L 4.6544 9.2011 122.6065 54.1394 43.2356 176.5195 19 T 4.6500 8.5090 120.3439 62.7995 69.4653 174.1889 20 I 4.7522 9.0300 119.9296 59.1150 41.5980 174.5816 21 R 5.1761 8.6675 121.5506 54.1872 34.2409 174.8905 22 V 3.6491 8.8024 122.1315 64.4189 31.8083 176.4376 23 G 3.9998 8.9162 116.1172 45.2454 0.0000 173.5348 24 E 4.2042 8.0647 119.8850 56.3967 30.7946 175.8495 25 I 4.7307 8.2348 123.8317 60.0715 38.9856 174.9647 26 I 4.4897 8.9650 128.4250 59.9435 39.0458 175.0319 27 R 4.8036 9.1865 126.7722 54.8890 32.2755 175.6572 28 N 4.1105 8.5266 119.2171 54.7492 37.5019 174.4866 29 V 4.2571 8.2802 118.4857 62.6404 33.0534 175.9456 30 K 4.7208 9.3233 129.0596 54.3638 35.1995 175.0778 31 K 4.4995 8.6299 125.8302 56.3585 32.7984 176.6922 32 L 4.4911 7.9135 124.2192 53.4986 43.0349 177.1727 33 Q 4.0544 8.7030 119.6584 58.9719 29.2356 177.6196 34 E 3.9302 8.1244 118.6606 56.1742 30.0318 175.3994 35 E 3.9789 8.7529 127.3658 57.4217 30.4201 176.5744 36 G 4.3619 9.1291 113.2397 45.3316 0.0000 172.0250 37 W 4.9394 7.7381 117.8027 54.4533 32.6291 174.6509 38 L 4.6827 8.7151 123.1209 52.6711 45.3671 174.8615 39 E 4.9971 8.4779 121.2284 54.7860 32.9596 175.1176 40 G 4.3468 8.9872 111.9150 45.9350 0.0000 170.6146 41 E 5.3196 9.3702 121.0148 54.3240 32.0820 174.7966 42 L 4.7742 8.9582 128.4080 53.8622 45.5948 175.6497 43 N 4.0017 9.8185 125.9094 54.7569 37.1891 174.4105 44 G 3.9901 8.2164 102.6159 45.7011 0.0000 172.7304 45 R 4.8136 7.8182 115.6415 54.2654 33.0543 174.5042 46 R 5.1821 8.2844 118.8046 55.0721 32.8324 175.3648 47 G 4.1241 8.4628 107.9331 46.2284 0.0000 172.3770 48 M 5.1422 8.7913 120.3280 55.0523 33.8886 175.7671 49 F 4.9383 8.2533 113.1099 55.9387 41.9261 171.6672 50 P 3.8689 0.0000 0.0000 61.4004 31.6787 177.5191 51 D 4.3742 8.4179 122.0048 55.9263 39.4376 177.5007 52 N 4.6570 8.0296 115.1998 53.5818 37.7587 175.0943 53 F 4.7798 8.3638 117.4737 58.0637 40.4035 175.3796 54 V 5.1502 7.7860 110.6243 59.6974 36.2776 174.7003 55 K 4.7259 9.2209 122.1711 54.6875 35.6197 174.9655 56 E 2.9140 8.6041 128.5326 55.9672 30.3467 175.8006 57 I 4.1370 7.9816 128.1802 60.2308 38.1059 176.2583 58 K 4.1195 8.4191 125.7180 56.5055 32.6385 176.0253 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 V 7.91 4.16 2.25 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 1.03 0.00 0.00 1.00 0.00 0.00 3 D 8.68 5.36 0.00 2.73 2.60 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 4 Y 9.28 5.07 0.00 2.87 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 5 I 8.53 4.73 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.63 0.95 0.00 0.00 6 V 8.74 4.10 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 1.02 0.00 0.00 0.86 0.00 0.00 7 E 9.40 4.31 0.00 1.88 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 2.14 2.24 0.00 8 Y 7.82 4.91 0.00 2.84 2.89 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 0.00 0.00 0.00 0.00 9 D 9.22 4.79 0.00 2.69 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 10 Y 9.00 4.60 0.00 2.22 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.26 5.00 0.00 2.24 2.32 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 12 A 8.12 4.27 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 13 V 9.21 4.14 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 0.71 0.00 0.00 0.96 0.00 0.00 14 H 7.77 5.02 0.00 3.24 3.08 0.00 5.68 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 15 D 8.87 4.36 0.00 2.67 2.75 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 16 D 8.11 4.65 0.00 2.83 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 17 E 8.01 5.24 0.00 2.13 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 2.31 2.47 0.00 18 L 9.20 4.65 0.00 1.78 1.63 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.65 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 1.18 0.00 0.00 20 I 9.03 4.75 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.69 0.00 0.00 21 R 8.67 5.18 0.00 1.91 1.80 0.00 3.34 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 22 V 8.80 3.65 2.06 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 0.67 0.00 0.00 0.97 0.00 0.00 23 G 8.92 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 24 E 8.06 4.20 0.00 2.10 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 2.31 2.28 0.00 25 I 8.23 4.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.94 0.00 0.00 26 I 8.97 4.49 1.88 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 1.02 0.00 0.00 27 R 9.19 4.80 0.00 1.76 1.87 0.00 3.30 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 28 N 8.53 4.11 0.00 2.88 2.86 0.00 0.00 7.12 7.73 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 29 V 8.28 4.26 2.43 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 0.50 0.00 0.00 1.23 0.00 0.00 30 K 9.32 4.72 0.00 1.81 1.59 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.37 7.81 31 K 8.63 4.50 0.00 1.69 1.72 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 32 L 7.91 4.49 0.00 1.67 1.58 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.70 4.05 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 34 E 8.12 3.93 0.00 1.92 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 2.56 2.36 0.00 35 E 8.75 3.98 0.00 2.01 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 2.31 2.27 0.00 36 G 9.13 4.36 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 0.00 0.00 0.00 37 W 7.74 4.94 0.00 3.26 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 38 L 8.72 4.68 0.00 0.27 0.95 0.36 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.48 5.00 0.00 1.95 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 40 G 8.99 4.35 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 0.00 41 E 9.37 5.32 0.00 2.04 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 2.24 2.25 0.00 42 L 8.96 4.77 0.00 1.68 1.43 0.90 0.34 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 43 N 9.82 4.00 0.00 2.81 2.77 0.00 0.00 7.21 7.98 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 44 G 8.22 3.99 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 0.00 0.00 0.00 45 R 7.82 4.81 0.00 1.88 2.01 0.00 2.76 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 46 R 8.28 5.18 0.00 1.73 1.91 0.00 3.27 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 47 G 8.46 4.12 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 0.00 0.00 0.00 48 M 8.79 5.14 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 49 F 8.25 4.94 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.87 0.00 2.17 0.92 0.00 2.67 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.00 51 D 8.42 4.37 0.00 2.89 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 52 N 8.03 4.66 0.00 2.69 2.87 0.00 0.00 5.98 7.43 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 53 F 8.36 4.78 0.00 3.22 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.79 5.15 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 0.71 0.00 0.00 1.24 0.00 0.00 55 K 9.22 4.73 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.34 7.81 56 E 8.60 2.91 0.00 1.37 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 57 I 7.98 4.14 1.93 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 1.19 0.61 0.88 0.00 0.00 58 K 8.42 4.12 0.00 1.65 1.62 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.30 7.81