NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4838 8.1627 120.2754 55.7697 34.5492 174.0733 2 S 4.7046 8.2459 114.6297 56.2157 64.1021 171.1656 3 I 4.8531 8.8587 121.4159 59.4516 42.0734 173.6851 4 S 4.8676 8.6392 116.1015 57.2456 64.6881 175.2775 5 A 4.1943 9.0506 124.3217 55.5933 18.0781 180.5100 6 S 4.1305 7.9835 111.9319 61.7014 63.2124 175.9319 7 E 3.9072 8.6432 123.5899 58.9370 29.0748 178.7128 8 A 4.0623 8.7564 120.9101 54.6612 18.5909 179.3744 9 R 3.9691 8.7912 118.7039 59.8453 30.0313 178.6405 10 Q 4.0799 7.9361 117.8041 58.7012 29.3160 176.5580 11 R 4.3783 7.8367 117.2123 56.1901 30.6343 177.6580 12 L 3.9369 7.9015 122.5119 58.5015 41.8192 179.1973 13 F 3.8458 8.4120 117.2686 59.9164 38.9886 175.7899 14 P 4.3661 0.0000 0.0000 65.6467 31.0784 178.3068 15 L 3.9528 7.7811 118.5148 57.9790 41.4378 179.6320 16 I 3.6477 7.5738 119.0416 64.1587 36.4249 178.1793 17 E 3.9376 8.0908 120.0857 59.0275 29.3835 178.5122 18 Q 3.9851 8.5091 120.3098 59.1287 28.9907 178.7225 19 V 3.5813 7.9807 120.3524 64.9273 31.2452 177.6325 20 N 4.5131 7.7508 114.5417 54.3946 38.3488 175.6688 21 T 4.4069 7.1079 114.4299 64.9112 70.5866 175.4504 22 D 4.6241 8.2350 117.7007 52.9663 40.0076 175.7396 23 H 4.2960 7.3594 115.9905 56.9204 27.1612 174.0758 24 Q 4.6623 7.9587 116.8802 53.3830 30.6705 174.0967 25 P 4.6864 0.0000 0.0000 62.5384 33.2477 175.3989 26 V 4.4923 8.8579 120.6701 61.1215 33.8379 174.6983 27 R 4.6199 8.7483 128.2807 56.0175 31.2483 175.5670 28 I 4.8327 8.8984 126.0525 59.8143 39.4699 175.4380 29 T 5.0323 9.5062 124.9378 62.7923 69.9256 174.0720 30 S 4.9298 7.9217 118.4339 57.7175 66.3428 176.8828 31 R 4.1077 9.0118 116.9237 57.6270 29.4510 176.7107 32 A 4.4657 7.8721 121.2978 51.7134 19.3299 176.6495 33 G 4.1735 7.4283 105.8275 44.6774 0.0000 173.6714 34 D 5.1310 8.5790 120.5471 53.4402 43.0921 175.2457 35 A 4.9199 8.9683 121.5755 50.4129 23.1900 175.0250 36 V 4.7287 8.3507 118.9712 60.9866 34.0840 174.5610 37 L 4.7637 9.0221 130.1438 53.5869 43.8169 174.9539 38 M 5.2306 8.4177 122.6758 53.0484 35.1169 175.0991 39 S 4.3424 8.5164 112.8635 57.8146 64.3309 175.2397 40 A 4.0750 8.5808 124.1660 55.1733 18.1701 179.6687 41 D 4.3879 8.2316 117.3842 56.9403 39.2241 178.7261 42 D 4.3582 8.1030 119.6347 57.1561 40.8484 177.8393 43 Y 4.0264 8.1454 119.9602 60.9674 38.8415 178.0234 44 D 4.4394 8.5820 119.3458 57.5167 41.0145 178.7151 45 A 4.0377 8.5762 121.5952 54.7589 18.3042 179.4458 46 W 3.9190 8.3491 126.8513 60.7633 30.8748 177.9209 47 Q 3.9122 8.2441 119.5549 59.3384 28.4273 178.3178 48 E 3.9866 8.2881 119.5332 59.6144 29.3869 179.4609 49 T 3.8030 7.9318 115.8662 66.4537 68.2411 176.9185 50 V 3.3075 7.3264 119.1519 66.0529 31.8236 177.0514 51 Y 4.0175 8.0586 119.2188 60.7819 38.5786 178.1905 52 L 4.1236 8.2135 119.8606 57.5213 41.5397 179.0285 53 L 4.0917 7.9528 117.8433 56.5963 41.5042 178.8401 54 R 3.9240 7.3779 117.7566 57.5045 30.4472 176.8139 55 S 4.7685 7.3535 114.0731 56.0015 64.8239 173.5976 56 P 4.4051 0.0000 0.0000 65.0782 31.0468 178.7717 57 E 3.9733 8.0945 116.6077 59.2840 29.4194 178.4900 58 N 4.2162 7.8212 115.8663 56.2741 38.5647 177.0219 59 A 3.9737 7.8278 121.3365 55.2268 18.5567 179.5092 60 R 3.7723 7.6022 116.7833 59.5910 29.7246 179.0300 61 R 3.9908 8.2314 118.2313 58.9353 30.0624 178.8336 62 L 3.9894 8.7596 120.0314 58.0215 41.3761 179.0148 63 M 3.9611 8.6217 118.2507 59.0544 31.9647 178.1293 64 E 3.9509 8.4987 117.0343 59.1787 29.8317 179.0823 65 A 4.1463 7.6508 119.6157 55.0469 18.4684 179.7047 66 V 3.5474 7.4118 114.8550 66.0380 31.6552 177.3770 67 A 4.2619 7.4432 116.8274 52.8965 18.2773 177.5100 68 R 4.0526 7.8429 122.4421 56.4798 30.1350 176.4930 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 4.48 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 2 S 8.25 4.70 0.00 3.90 3.72 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 3 I 8.86 4.85 1.99 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 1.45 0.73 0.94 0.00 0.00 4 S 8.64 4.87 0.00 3.88 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 5 A 9.05 4.19 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 6 S 7.98 4.13 0.00 4.06 4.14 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 7 E 8.64 3.91 0.00 2.01 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 2.31 2.34 0.00 8 A 8.76 4.06 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.79 3.97 0.00 1.80 2.10 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 10 Q 7.94 4.08 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 11 R 7.84 4.38 0.00 2.14 1.94 0.00 3.39 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 12 L 7.90 3.94 0.00 1.91 1.72 0.83 1.08 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 13 F 8.41 3.85 0.00 3.11 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 14 P 0.00 4.37 0.00 2.29 2.34 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 15 L 7.78 3.95 0.00 1.87 1.74 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.57 3.65 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.83 0.00 0.00 17 E 8.09 3.94 0.00 2.04 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 2.31 2.32 0.00 18 Q 8.51 3.99 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 19 V 7.98 3.58 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 0.87 0.00 0.00 0.98 0.00 0.00 20 N 7.75 4.51 0.00 2.74 2.90 0.00 0.00 6.93 7.42 0.00 0.00 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 T 7.11 4.41 4.37 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 1.21 0.00 0.00 22 D 8.23 4.62 0.00 2.80 2.77 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 0.00 0.00 0.00 23 H 7.36 4.30 0.00 3.28 3.43 0.00 5.62 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.96 4.66 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 25 P 0.00 4.69 0.00 2.03 2.00 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 26 V 8.86 4.49 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 1.00 0.00 0.00 0.91 0.00 0.00 27 R 8.75 4.62 0.00 1.78 1.83 0.00 3.28 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 28 I 8.90 4.83 1.85 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 1.21 0.80 0.90 0.00 0.00 29 T 9.51 5.03 4.41 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 1.21 0.00 0.00 30 S 7.92 4.93 0.00 3.88 3.89 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 31 R 9.01 4.11 0.00 1.94 2.09 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 32 A 7.87 4.47 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 33 G 7.43 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 0.00 0.00 0.00 34 D 8.58 5.13 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.97 4.92 1.16 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 0.00 0.00 0.00 0.00 0.00 36 V 8.35 4.73 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 0.77 0.00 0.00 0.90 0.00 0.00 37 L 9.02 4.76 0.00 1.70 1.47 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.42 5.23 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 39 S 8.52 4.34 0.00 4.21 4.13 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 40 A 8.58 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.39 0.00 3.00 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 42 D 8.10 4.36 0.00 3.00 2.82 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 0.00 0.00 0.00 0.00 43 Y 8.15 4.03 0.00 3.17 3.21 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 0.00 44 D 8.58 4.44 0.00 3.00 2.96 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 45 A 8.58 4.04 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 46 W 8.35 3.92 0.00 3.43 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.91 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 48 E 8.29 3.99 0.00 2.28 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 0.00 2.28 2.34 0.00 49 T 7.93 3.80 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 1.03 0.00 0.00 50 V 7.33 3.31 2.00 0.00 0.00 0.00 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 0.29 0.00 0.00 51 Y 8.06 4.02 0.00 3.21 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 52 L 8.21 4.12 0.00 1.93 1.69 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.95 4.09 0.00 1.72 1.63 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.38 3.92 0.00 1.64 1.84 0.00 2.32 0.00 0.00 2.79 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 55 S 7.35 4.77 0.00 4.00 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 56 P 0.00 4.41 0.00 2.13 2.06 0.00 3.56 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 57 E 8.09 3.97 0.00 2.18 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 0.00 2.34 2.38 0.00 58 N 7.82 4.22 0.00 3.11 2.91 0.00 0.00 6.85 7.42 0.00 0.00 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 A 7.83 3.97 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 60 R 7.60 3.77 0.00 1.88 2.14 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 61 R 8.23 3.99 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 62 L 8.76 3.99 0.00 1.65 1.70 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.62 3.96 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 64 E 8.50 3.95 0.00 2.08 2.00 0.00 0.00 0.00 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 2.33 0.00 65 A 7.65 4.15 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 66 V 7.41 3.55 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 0.84 0.00 0.00 0.98 0.00 0.00 67 A 7.44 4.26 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 68 R 7.84 4.05 0.00 2.00 1.86 0.00 3.36 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00