NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3760 0.0000 0.0000 61.4762 33.0052 175.8980 17 S 4.4723 8.3780 112.0897 56.7811 64.0674 173.7721 18 R 4.3739 8.5498 120.4591 56.1325 28.6891 175.0662 19 K 4.3771 8.0940 117.7091 56.3256 35.2672 176.3815 20 A 4.2450 7.7773 117.7984 52.1384 20.9513 173.1035 21 K 3.8548 7.9482 128.2898 55.7133 31.2686 175.8121 22 V 3.7091 8.1907 126.7902 65.2253 31.8221 177.4116 23 K 4.0874 7.6704 119.9026 58.8431 32.0812 176.9084 24 A 4.6659 7.8622 119.6031 52.5143 19.1365 177.5114 25 T 4.3103 7.9007 117.6715 65.3349 70.2231 174.8839 26 L 4.6907 7.5968 121.7805 53.1510 44.7739 175.3334 27 G 4.3620 7.9504 120.7394 44.7142 0.0000 176.1418 28 E 4.0375 8.9661 127.8935 55.7170 29.6397 175.3157 29 F 5.0618 8.6628 127.8011 56.3826 41.6747 173.1903 30 D 4.3870 8.7921 128.1572 53.2974 41.3758 175.8002 31 L 3.7505 7.9515 125.6230 55.2368 42.0583 177.3623 32 R 4.2666 7.4400 117.0841 56.1667 30.2866 176.1088 33 D 4.1133 7.6843 118.2803 52.8482 40.1651 175.6335 34 Y 4.4896 7.8688 126.2119 59.9224 37.9186 177.8009 35 R 4.5792 6.6285 118.7106 56.7273 30.7685 177.0679 36 N 4.7383 7.8061 115.4378 53.3670 36.9226 174.5859 37 V 3.4255 7.9636 119.3853 67.5703 31.6415 175.8872 38 E 3.9673 8.1372 120.5324 59.4906 29.6556 179.5007 39 V 3.6346 7.6333 118.4917 65.7906 31.6298 177.2040 40 L 4.9560 8.5434 115.9313 55.0570 41.3592 177.5887 41 K 4.6048 7.6324 118.5913 56.3815 33.1368 176.6336 42 R 4.3973 7.4235 116.2730 55.3986 32.2474 175.8952 43 F 4.8237 7.6736 116.2018 57.5998 39.5430 176.5772 44 L 4.5008 8.0748 122.2997 55.4869 43.2387 179.3027 45 S 3.5913 8.1412 111.0263 59.2844 62.3249 171.6206 46 E 4.4912 8.7374 115.4850 58.1789 31.7898 177.1434 47 T 3.8349 7.6912 113.5977 64.5754 69.0685 175.5495 48 G 4.2088 7.5735 110.7191 45.8403 0.0000 173.8700 49 K 4.4676 7.1455 118.1200 54.5565 34.0740 176.5044 50 I 4.2795 7.9949 121.1778 59.9661 37.7409 176.2915 51 L 4.1379 8.5200 126.4591 53.7952 42.2792 175.9277 52 P 4.5838 0.0000 0.0000 62.4190 33.6345 177.5376 53 R 4.2624 8.4438 117.2420 58.5385 29.5396 178.8364 54 R 3.9150 8.0759 117.7256 59.1308 30.2170 177.3165 55 R 4.4751 7.6832 116.0266 57.9531 31.7415 178.4373 56 T 4.1002 8.1654 109.7150 62.6489 68.5626 175.4934 57 G 4.0331 8.0865 108.2570 46.4430 0.0000 173.0563 58 L 4.6191 7.8915 119.0304 52.8426 44.3087 176.0609 59 S 4.8130 7.8751 115.3724 56.9625 66.1972 175.2003 60 G 3.5949 8.4279 107.3502 47.7141 0.0000 175.4575 61 K 3.8527 8.0946 121.3963 59.3768 32.0127 178.5534 62 E 3.8867 7.6920 117.2721 59.3756 29.5252 178.7897 63 Q 4.1872 8.1453 114.5377 57.3746 28.8628 177.6649 64 R 4.4511 7.6292 119.8172 57.2408 31.1472 177.4878 65 I 4.4088 6.9476 109.6410 60.7810 38.2580 176.3971 66 L 4.4425 8.0618 123.5444 57.6484 41.6777 178.3563 67 A 4.0280 7.7805 120.9626 54.4182 18.4137 179.4132 68 K 3.8976 7.7278 117.3737 59.8067 32.3657 178.9172 69 T 4.2264 7.8087 108.7088 63.7396 69.1091 176.8740 70 I 3.7869 7.8355 123.4784 64.3556 37.0359 178.3043 71 K 4.0317 8.2358 119.3922 59.5676 31.7164 179.6323 72 R 3.9259 8.2277 118.1516 59.2077 29.8864 178.9973 73 A 4.1605 8.1066 120.6017 54.8775 18.1062 179.9402 74 R 4.0152 7.9887 116.2778 59.6442 30.2931 178.9050 75 I 3.9112 7.3797 118.0372 64.4839 37.1673 178.2507 76 L 4.1645 7.5321 118.9532 59.1802 41.9652 175.9637 77 G 3.8870 8.8695 103.3638 45.3294 0.0000 173.6588 78 L 4.1341 8.8729 120.0268 54.4308 40.8239 174.6163 79 L 4.7636 7.5751 116.7612 53.3100 42.7146 174.0180 80 P 3.9521 0.0000 0.0000 61.8610 31.5488 175.7059 81 F 3.6776 8.0214 110.5726 58.1188 38.1212 174.9428 82 T 4.8978 8.8061 125.6608 62.4262 70.7543 171.7279 83 E 4.2920 9.5277 131.3206 55.7628 30.7599 172.8512 84 K 3.4803 8.5006 124.6296 56.6507 31.2898 174.3224 85 L 4.5107 8.2795 124.1416 53.1120 43.2237 176.2167 86 V 3.8760 8.1646 125.6456 63.2216 33.2867 176.4613 87 R 3.6859 9.1044 124.5031 54.4005 27.9032 176.5861 88 K 4.1628 8.9372 125.7688 57.4591 33.0912 174.5052 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 16 P 0.00 4.38 0.00 2.18 2.03 0.00 3.41 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 1.89 2.08 0.00 17 S 8.38 4.47 0.00 3.90 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 18 R 8.55 4.37 0.00 1.84 1.88 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 19 K 8.09 4.38 0.00 1.68 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 20 A 7.78 4.25 1.22 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 0.00 0.00 21 K 7.95 3.85 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.48 7.81 22 V 8.19 3.71 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.00 0.00 0.00 23 K 7.67 4.09 0.00 2.16 1.85 0.00 2.10 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 24 A 7.86 4.67 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.31 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 1.14 0.00 0.00 26 L 7.60 4.69 0.00 1.41 1.44 0.83 0.15 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 27 G 7.95 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 28 E 8.97 4.04 0.00 1.98 1.92 0.00 0.00 0.00 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 2.27 0.00 29 F 8.66 5.06 0.00 2.85 2.93 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 30 D 8.79 4.39 0.00 2.60 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 31 L 7.95 3.75 0.00 1.37 1.47 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.44 4.27 0.00 1.68 1.95 0.00 3.13 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 33 D 7.68 4.11 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 4.49 0.00 3.27 3.26 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 0.00 35 R 6.63 4.58 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 36 N 7.81 4.74 0.00 3.12 2.90 0.00 0.00 6.83 8.55 0.00 0.00 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 V 7.96 3.43 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 1.05 0.00 0.00 1.03 0.00 0.00 38 E 8.14 3.97 0.00 2.13 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 0.00 2.25 2.30 0.00 39 V 7.63 3.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 40 L 8.54 4.96 0.00 1.73 1.87 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.63 4.60 0.00 1.98 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 42 R 7.42 4.40 0.00 1.17 1.49 0.00 3.21 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 43 F 7.67 4.82 0.00 3.05 3.06 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 44 L 8.07 4.50 0.00 1.75 1.80 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.14 3.59 0.00 4.14 3.26 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 0.00 46 E 8.74 4.49 0.00 2.04 1.91 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 2.28 2.34 0.00 47 T 7.69 3.83 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 1.23 0.00 0.00 48 G 7.57 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 0.00 0.00 0.00 0.00 49 K 7.15 4.47 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 50 I 7.99 4.28 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.92 0.00 0.00 51 L 8.52 4.14 0.00 1.75 1.69 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.58 0.00 2.28 2.23 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 53 R 8.44 4.26 0.00 1.89 2.04 0.00 3.76 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 54 R 8.08 3.92 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 55 R 7.68 4.48 0.00 1.88 1.96 0.00 3.36 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 56 T 8.17 4.10 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 1.42 0.00 0.00 57 G 8.09 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.89 4.62 0.00 1.81 1.64 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.88 4.81 0.00 3.92 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 60 G 8.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.85 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.59 7.81 62 E 7.69 3.89 0.00 2.39 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 2.37 2.39 0.00 63 Q 8.15 4.19 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 64 R 7.63 4.45 0.00 1.94 1.93 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 65 I 6.95 4.41 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.54 0.89 0.00 0.00 66 L 8.06 4.44 0.00 1.75 1.86 0.70 0.88 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 67 A 7.78 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.90 0.00 2.16 1.81 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 69 T 7.81 4.23 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 1.31 0.00 0.00 70 I 7.84 3.79 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.97 0.00 0.00 71 K 8.24 4.03 0.00 2.06 1.87 0.00 1.77 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 1.47 1.58 7.81 72 R 8.23 3.93 0.00 2.10 1.96 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 73 A 8.11 4.16 1.56 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 0.00 0.00 74 R 7.99 4.02 0.00 2.12 2.26 0.00 3.60 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 75 I 7.38 3.91 1.87 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 1.51 0.34 0.89 0.00 0.00 76 L 7.53 4.16 0.00 1.75 1.78 0.89 1.04 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 77 G 8.87 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 0.00 0.00 0.00 78 L 8.87 4.13 0.00 1.86 1.90 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.58 4.76 0.00 1.70 1.61 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.95 0.00 1.99 2.07 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 81 F 8.02 3.68 0.00 3.18 3.29 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 82 T 8.81 4.90 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 1.42 0.00 0.00 83 E 9.53 4.29 0.00 1.77 1.76 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 2.17 2.28 0.00 84 K 8.50 3.48 0.00 1.88 1.76 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 85 L 8.28 4.51 0.00 1.57 1.56 0.92 0.99 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 86 V 8.16 3.88 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 0.85 0.00 0.00 0.92 0.00 0.00 87 R 9.10 3.69 0.00 2.01 1.83 0.00 3.55 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 88 K 8.94 4.16 0.00 1.88 1.78 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.36 7.81