NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4596 8.1633 118.3252 55.2907 33.3605 173.8722 2 Q 4.7506 8.2596 119.0031 52.9847 31.4433 173.1966 3 I 4.3775 9.0988 116.6780 59.0639 42.2653 173.0970 4 F 5.3597 8.8141 119.8969 55.8333 42.0062 174.8352 5 V 4.9182 9.1922 123.6225 60.9996 34.2584 174.1853 6 K 5.1289 8.7886 126.9889 54.7246 33.5866 176.7914 7 T 4.8187 8.5354 114.9620 60.0841 70.1019 175.0108 8 L 3.8192 8.4950 122.8176 58.6314 42.1116 178.2201 9 T 3.9029 7.8562 107.3838 65.0632 69.1618 174.0401 10 G 3.9815 6.8672 109.7315 45.3769 0.0000 173.7732 11 K 4.3521 8.4652 121.1556 55.6102 34.0933 175.9696 12 T 4.8583 8.4813 124.2217 62.7447 69.9919 174.3553 13 I 4.3272 9.1004 128.4656 59.8960 38.4346 175.0531 14 T 4.6047 8.4523 124.6204 63.3179 69.3176 174.3184 15 L 4.6505 8.7087 127.6264 53.5218 45.7157 174.1992 16 E 5.0157 8.7125 126.8372 55.1057 31.4677 174.8605 17 V 4.5070 8.3952 117.7617 60.6150 36.9704 172.9031 18 E 4.7514 8.5013 120.9310 54.1707 32.3325 175.6236 19 P 4.3300 0.0000 0.0000 64.6614 32.0478 177.5189 20 S 4.5242 7.9972 111.7018 58.1363 63.3823 173.2749 21 D 4.7252 7.7913 122.2455 53.4854 42.8328 175.1901 22 T 5.1035 7.9766 109.5713 59.3729 70.9957 175.7834 23 I 3.7810 8.1553 121.4657 64.2829 36.8998 178.3303 24 E 3.9572 7.9348 119.3570 59.7138 29.0823 179.2037 25 N 4.4210 7.7916 114.7200 55.9135 38.8001 177.4576 26 V 3.7234 7.5704 119.6317 65.9074 31.6830 178.0831 27 K 4.2336 8.6635 119.6814 58.7561 31.7433 178.9552 28 A 4.0496 8.1718 120.4942 54.1920 18.1405 179.5378 29 K 4.0161 7.8779 117.0340 59.0746 32.4133 179.3187 30 I 3.7257 7.6239 119.6777 64.4513 36.5901 178.1373 31 Q 4.0111 8.4281 120.6727 58.9294 28.5769 177.6354 32 D 4.2960 7.6098 118.7627 57.4873 41.4627 177.4182 33 K 3.7950 8.2680 119.4089 59.7190 32.1544 177.9370 34 E 4.2981 8.4311 118.8816 57.7180 31.5611 177.3389 35 G 3.9690 8.4856 105.2006 46.8902 0.0000 171.7767 36 I 4.5671 7.1499 119.6180 59.0076 41.0622 174.2012 37 P 4.6471 0.0000 0.0000 61.3043 32.4014 175.3578 38 P 4.2993 0.0000 0.0000 65.1909 31.8167 177.5254 39 D 4.4595 8.1385 118.4500 56.3095 39.7771 177.3754 40 Q 4.0620 8.0609 120.6907 58.3261 29.6909 175.5893 41 Q 4.3894 8.3874 118.3662 56.2514 30.0372 175.8615 42 R 4.4723 8.8453 124.1542 54.4655 33.4456 173.7330 43 L 5.0597 8.5741 126.1988 53.1286 44.5633 175.3241 44 I 4.6723 8.7811 126.0326 59.7413 39.1341 174.4914 45 F 4.8806 8.7367 130.3479 58.8140 40.7050 176.4789 46 A 3.6307 9.4720 131.6521 52.9244 16.9552 178.9696 47 G 4.2315 8.8172 105.3550 43.6287 0.0000 172.9695 48 K 4.5547 8.4979 119.4685 54.2369 35.8498 174.3950 49 Q 4.6612 8.5298 126.8196 55.6004 29.9260 175.0733 50 L 3.7447 8.0242 126.4905 54.3608 42.1783 177.0390 51 E 4.2981 9.0996 123.5096 56.3289 29.9397 177.3506 52 D 4.4353 9.0498 121.3925 57.5950 41.0881 179.0786 53 G 4.0494 7.9971 104.6949 45.2664 0.0000 173.1043 54 R 4.6322 7.7732 118.0810 54.0943 32.9748 175.5500 55 T 5.1464 8.0777 109.8437 59.7361 70.9308 175.7596 56 L 4.2403 8.2630 120.3033 57.7083 39.9634 179.7512 57 S 4.3711 7.6684 114.6373 61.0138 62.3853 176.4669 58 D 4.3441 7.2953 120.1862 57.5430 40.7498 178.0049 59 Y 4.1230 7.5803 115.3347 58.6337 38.9722 175.0210 60 N 4.3404 7.8319 115.3548 54.0145 37.0187 173.9787 61 I 4.1290 7.9845 118.7482 59.8187 39.0668 175.8030 62 Q 4.5919 7.8437 122.9401 53.0452 32.4639 174.8486 63 K 3.7376 8.5094 119.2843 58.4712 32.5774 176.0605 64 E 3.3241 8.6704 125.8608 57.9185 27.0521 174.3084 65 S 4.9641 7.4048 113.8506 57.1071 66.8578 174.9108 66 T 5.0653 8.6445 119.7348 62.3363 69.7134 173.9950 67 L 4.8065 8.9644 127.0620 53.2523 44.9276 175.1227 68 H 5.3885 9.2330 119.6939 54.0727 31.4042 173.2229 69 L 4.9417 9.4970 127.0754 53.8406 43.6026 175.4843 70 V 4.6486 8.4608 118.7751 59.8341 36.5850 174.5312 71 L 5.1025 8.3928 121.1984 53.4425 44.4160 176.2159 72 R 4.4361 8.4725 120.3151 54.5420 31.1926 174.9695 73 L 4.6441 8.4596 131.6806 55.1333 40.4734 177.3499 74 R 4.1223 8.1592 122.2682 59.2481 30.7988 178.0649 75 G 3.9558 7.6517 107.6026 45.3466 0.0000 173.5673 76 G 3.7135 8.1878 107.0322 45.9129 0.0000 172.9381 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 M 8.16 4.46 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 2 Q 8.26 4.75 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 3 I 9.10 4.38 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.79 0.00 0.00 4 F 8.81 5.36 0.00 2.97 2.85 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 5 V 9.19 4.92 2.11 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 8.79 5.13 0.00 1.82 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 7 T 8.54 4.82 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 1.26 0.00 0.00 8 L 8.50 3.82 0.00 1.61 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.86 3.90 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 1.21 0.00 0.00 10 G 6.87 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.47 4.35 0.00 1.87 1.69 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.48 4.86 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 1.28 0.00 0.00 13 I 9.10 4.33 2.03 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 1.25 0.62 0.93 0.00 0.00 14 T 8.45 4.60 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 1.29 0.00 0.00 15 L 8.71 4.65 0.00 1.73 1.41 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 5.02 0.00 1.96 1.77 0.00 0.00 0.00 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 17 V 8.40 4.51 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 0.67 0.00 0.00 0.88 0.00 0.00 18 E 8.50 4.75 0.00 1.85 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 2.25 2.24 0.00 19 P 0.00 4.33 0.00 2.19 2.27 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 20 S 8.00 4.52 0.00 3.98 3.98 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 0.00 0.00 0.00 21 D 7.79 4.73 0.00 2.96 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 22 T 7.98 5.10 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.16 3.78 2.14 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 2.00 1.11 0.89 0.00 0.00 24 E 7.93 3.96 0.00 2.02 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 2.34 2.56 0.00 25 N 7.79 4.42 0.00 2.82 2.87 0.00 0.00 7.01 7.44 0.00 0.00 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 V 7.57 3.72 2.13 0.00 0.00 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 0.96 0.00 0.00 27 K 8.66 4.23 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 8.17 4.05 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 29 K 7.88 4.02 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.60 7.81 30 I 7.62 3.73 2.12 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.91 0.00 0.00 31 Q 8.43 4.01 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 32 D 7.61 4.30 0.00 2.73 2.83 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 33 K 8.27 3.80 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 34 E 8.43 4.30 0.00 2.12 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 2.31 2.46 0.00 35 G 8.49 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.15 4.57 1.87 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 1.47 0.72 0.97 0.00 0.00 37 P 0.00 4.65 0.00 2.41 2.16 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 38 P 0.00 4.30 0.00 2.20 2.22 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 39 D 8.14 4.46 0.00 2.81 2.85 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 40 Q 8.06 4.06 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.11 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 41 Q 8.39 4.39 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 42 R 8.85 4.47 0.00 1.88 1.91 0.00 3.05 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 43 L 8.57 5.06 0.00 1.58 1.52 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.78 4.67 1.94 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 1.13 0.92 0.98 0.00 0.00 45 F 8.74 4.88 0.00 2.94 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 46 A 9.47 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.82 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 0.00 0.00 0.00 0.00 48 K 8.50 4.55 0.00 1.73 1.59 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.38 7.81 49 Q 8.53 4.66 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.02 3.74 0.00 1.42 1.25 -0.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.10 4.30 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 52 D 9.05 4.44 0.00 2.81 2.72 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 53 G 8.00 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 0.00 0.00 0.00 54 R 7.77 4.63 0.00 1.94 1.69 0.00 2.92 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 55 T 8.08 5.15 4.52 0.00 0.00 0.00 0.00 0.00 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 56 L 8.26 4.24 0.00 1.95 1.88 0.97 0.73 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 57 S 7.67 4.37 0.00 3.66 3.90 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 58 D 7.30 4.34 0.00 2.54 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 0.00 0.00 0.00 59 Y 7.58 4.12 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.83 4.34 0.00 2.95 3.18 0.00 0.00 7.23 7.87 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 61 I 7.98 4.13 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.57 0.57 0.00 0.00 62 Q 7.84 4.59 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 63 K 8.51 3.74 0.00 1.65 1.71 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.40 7.81 64 E 8.67 3.32 0.00 2.15 2.16 0.00 0.00 0.00 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 65 S 7.40 4.96 0.00 3.64 3.62 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 66 T 8.64 5.07 4.34 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 1.26 0.00 0.00 67 L 8.96 4.81 0.00 1.57 1.53 0.67 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.23 5.39 0.00 3.03 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.50 4.94 0.00 1.70 1.73 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.46 4.65 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 0.91 0.00 0.00 0.94 0.00 0.00 71 L 8.39 5.10 0.00 1.51 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.47 4.44 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.46 4.64 0.00 1.67 1.39 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.16 4.12 0.00 1.78 1.89 0.00 3.25 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 75 G 7.65 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 0.00 0.00 0.00 76 G 8.19 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00