NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4673 8.0393 114.0020 61.8531 33.3793 173.7455 2 R 4.4202 8.3255 116.7291 55.0769 32.9846 172.0424 3 D 4.9333 8.6203 121.9277 53.2011 42.9060 176.8873 4 A 2.5959 6.6692 123.3937 50.9956 23.9430 174.1475 5 Y 4.8653 7.5683 116.3156 56.6439 39.1045 175.8900 6 I 4.2460 8.4621 124.6042 60.9771 38.9737 174.6131 7 A 5.2635 8.6073 128.8641 49.9837 22.0327 175.6270 8 K 4.5807 8.5015 118.7412 53.7436 35.3784 174.1260 9 P 4.2407 0.0000 0.0000 63.0238 31.7976 175.9934 10 H 4.4579 8.5428 119.6960 54.5823 29.9935 173.6183 11 N 4.0149 8.6166 125.5552 55.1246 36.8968 174.1674 12 C 4.8561 7.8044 114.6549 55.0356 43.8371 175.2843 13 V 4.3332 7.8604 116.3711 61.0763 32.5447 175.2940 14 Y 4.4956 8.4486 119.0430 56.5553 38.6139 175.4346 15 E 4.8082 9.1169 123.1690 56.6691 30.3060 175.0509 16 C 5.0184 8.4610 113.7052 55.2689 43.8143 173.2759 17 A 4.4501 8.7763 119.9106 51.1857 20.9257 177.0578 18 R 4.7246 7.8141 114.9940 54.6489 32.9612 177.0952 19 N 4.6571 8.8120 120.8390 56.4417 38.6917 177.5102 20 E 4.0852 8.2473 119.7967 59.2426 29.5578 178.4505 21 Y 4.1302 8.0957 119.2707 61.0984 38.9159 178.8073 22 C 4.0114 8.0025 115.9864 59.7492 39.4653 175.6185 23 N 4.2735 8.1925 118.8930 56.4829 38.5087 176.4048 24 D 4.2116 8.0090 119.4445 57.3439 40.8612 178.0192 25 L 3.6868 7.6173 120.7931 58.1002 41.9860 178.3573 26 C 4.1368 8.2694 117.0041 60.2820 41.0418 176.3076 27 T 4.3021 8.0551 112.8522 64.0478 68.0526 176.3166 28 K 4.0143 7.9970 121.6930 58.4679 32.1400 177.4205 29 N 4.8002 7.3489 114.2615 52.7341 38.8410 175.7362 30 G 3.8106 8.0143 108.3655 44.9237 0.0000 173.9103 31 A 4.6224 7.7184 121.7602 50.2123 19.8746 178.9610 32 K 4.0117 8.7966 121.2414 59.4089 32.9183 176.5815 33 S 4.6322 7.5281 112.1658 58.7381 65.8371 174.9803 34 G 4.4136 9.0192 105.6930 46.3875 0.0000 171.9579 35 Y 5.0994 7.9893 117.9755 55.8614 42.2792 172.5769 36 C 5.2567 9.5708 120.7092 55.7983 45.7447 172.4452 37 Q 4.9306 9.4598 127.4630 54.0404 31.7511 173.9443 38 W 5.1025 9.2312 135.0000 57.2309 31.8830 175.6115 39 V 3.5524 8.6015 126.8131 59.7015 33.7833 175.9108 40 G 3.3044 7.4458 115.1057 48.2109 0.0000 175.3266 41 K 3.8394 7.4543 118.3670 58.5969 32.2909 176.7435 42 Y 4.7403 6.5874 112.4569 56.3656 40.6506 177.4766 43 G 3.8694 9.3892 107.7305 45.6142 0.0000 172.1492 44 N 5.4737 8.7752 119.2589 52.5191 40.3516 174.7762 45 G 4.7895 9.2885 109.6082 44.5263 0.0000 170.7593 46 C 5.1917 9.0775 118.2448 56.3067 42.5788 172.3902 47 W 4.7147 9.1993 134.7003 55.7177 32.4984 173.7412 48 C 5.2043 8.5059 124.7153 55.2105 43.9835 172.6846 49 I 4.6594 8.3961 123.4314 59.9586 39.2340 175.8782 50 E 3.8603 9.2921 125.8928 57.2394 27.5553 174.4486 51 L 4.0741 7.9325 120.8728 53.7438 43.3137 174.2402 52 P 4.5075 0.0000 0.0000 62.7808 31.9129 177.0084 53 D 4.3626 8.7087 121.3599 57.4511 40.8091 177.4929 54 N 4.5235 7.9777 113.5167 53.3839 37.9505 174.8013 55 V 4.0040 7.3490 120.1478 61.0552 32.6316 173.6892 56 P 4.5076 0.0000 0.0000 63.1258 32.2632 175.2014 57 I 4.9737 8.0526 115.7445 58.6139 41.2631 174.6030 58 R 4.2179 8.5625 123.7492 56.2864 30.2138 176.0378 59 V 4.6015 8.6773 119.0747 58.3011 35.1762 173.6338 60 P 4.3804 0.0000 0.0000 63.2765 31.5440 176.2706 61 G 4.1320 8.2707 107.0305 43.1019 0.0000 172.3230 62 K 4.3000 8.0558 121.5481 54.9672 32.9648 176.6049 63 C 4.7036 8.9195 126.3633 56.1728 45.5786 172.7435 64 H 4.3818 8.8030 121.5984 56.1759 28.0867 173.2258 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 V 8.04 4.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.91 0.00 0.00 2 R 8.33 4.42 0.00 1.73 1.92 0.00 2.86 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.71 0.00 3 D 8.62 4.93 0.00 2.65 2.78 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 0.00 0.00 0.00 0.00 4 A 6.67 2.60 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 5 Y 7.57 4.87 0.00 2.94 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 6 I 8.46 4.25 1.73 0.00 0.00 0.67 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 0.70 0.78 0.00 0.00 7 A 8.61 5.26 1.19 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 0.00 0.00 0.00 0.00 0.00 8 K 8.50 4.58 0.00 1.65 1.41 0.00 0.96 0.00 0.00 0.62 0.00 0.00 2.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.64 1.03 7.81 9 P 0.00 4.24 0.00 1.80 1.62 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 10 H 8.54 4.46 0.00 2.97 2.98 0.00 5.95 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.62 4.01 0.00 2.95 2.80 0.00 0.00 6.90 7.65 0.00 0.00 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 C 7.80 4.86 0.00 2.93 2.76 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 0.00 0.00 0.00 0.00 13 V 7.86 4.33 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 0.21 0.00 0.00 0.83 0.00 0.00 14 Y 8.45 4.50 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 15 E 9.12 4.81 0.00 2.02 1.99 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 2.31 2.20 0.00 16 C 8.46 5.02 0.00 3.21 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.45 1.29 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 18 R 7.81 4.72 0.00 1.96 2.08 0.00 3.17 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 N 8.81 4.66 0.00 2.82 2.99 0.00 0.00 7.17 7.66 0.00 0.00 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 E 8.25 4.09 0.00 2.13 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 2.44 2.48 0.00 21 Y 8.10 4.13 0.00 3.09 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.01 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.27 0.00 3.01 2.94 0.00 0.00 6.78 8.14 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 24 D 8.01 4.21 0.00 2.82 2.71 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 25 L 7.62 3.69 0.00 1.15 1.19 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.27 4.14 0.00 2.93 2.98 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 27 T 8.06 4.30 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 28 K 8.00 4.01 0.00 1.71 2.04 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 29 N 7.35 4.80 0.00 2.72 2.72 0.00 0.00 7.22 7.53 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 30 G 8.01 3.81 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 0.00 0.00 0.00 31 A 7.72 4.62 1.23 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 32 K 8.80 4.01 0.00 1.75 2.00 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.44 7.81 33 S 7.53 4.63 0.00 4.09 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 34 G 9.02 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 0.00 0.00 0.00 0.00 35 Y 7.99 5.10 0.00 3.34 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 36 C 9.57 5.26 0.00 3.20 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 37 Q 9.46 4.93 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 1.93 2.49 0.00 38 W 9.23 5.10 0.00 3.57 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 3.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.35 0.00 0.00 40 G 7.45 3.30 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 0.00 41 K 7.45 3.84 0.00 1.51 1.64 0.00 1.17 0.00 0.00 1.23 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.21 7.81 42 Y 6.59 4.74 0.00 2.65 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 43 G 9.39 3.87 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 0.00 44 N 8.78 5.47 0.00 2.84 2.97 0.00 0.00 6.49 7.75 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 45 G 9.29 4.79 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 0.00 0.00 0.00 46 C 9.08 5.19 0.00 2.96 2.99 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 47 W 9.20 4.71 0.00 2.97 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 48 C 8.51 5.20 0.00 2.52 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 49 I 8.40 4.66 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.95 0.00 0.00 50 E 9.29 3.86 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 2.21 2.22 0.00 51 L 7.93 4.07 0.00 1.66 1.39 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.51 0.00 2.17 1.93 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 53 D 8.71 4.36 0.00 2.64 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 54 N 7.98 4.52 0.00 2.81 2.91 0.00 0.00 5.93 7.68 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 55 V 7.35 4.00 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 0.73 0.00 0.00 0.88 0.00 0.00 56 P 0.00 4.51 0.00 2.11 1.95 0.00 3.57 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 57 I 8.05 4.97 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.87 0.00 0.00 58 R 8.56 4.22 0.00 1.72 1.89 0.00 3.20 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 59 V 8.68 4.60 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 0.78 0.00 0.00 0.99 0.00 0.00 60 P 0.00 4.38 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 61 G 8.27 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 0.00 0.00 0.00 62 K 8.06 4.30 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 63 C 8.92 4.70 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.80 4.38 0.00 3.39 3.31 0.00 5.54 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