NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 F 4.7730 8.1833 115.8441 56.1291 40.1074 174.8683 17 K 4.0301 6.7453 120.8762 56.1735 33.5548 172.7513 18 S 4.5944 9.2550 114.2395 57.0334 61.1321 171.8795 19 R 3.4371 8.8406 115.6544 58.9424 29.4204 177.9366 20 L 3.8768 7.5163 118.2117 57.4981 41.0919 179.2003 21 Q 4.1136 8.2607 119.7792 59.4515 29.0855 178.2738 22 E 3.9766 7.9877 119.5102 59.3752 29.3018 179.0307 23 Y 3.9085 7.9021 116.9388 61.0056 37.8891 178.3213 24 A 4.0261 8.0531 121.6167 55.3512 18.4130 179.7181 25 Q 3.9440 8.0294 116.3729 59.2067 28.6290 179.2879 26 K 4.1289 7.9094 117.9765 59.0533 32.1112 178.0577 27 Y 4.7524 7.7886 114.8930 56.9749 38.1859 175.2553 28 K 3.9058 7.8098 118.3297 57.3059 30.5034 175.1459 29 L 4.6393 8.0409 117.1231 52.4862 43.2262 175.3762 30 P 4.2875 0.0000 0.0000 62.6840 31.8083 176.5961 31 T 3.7366 8.5232 118.4471 63.5749 68.6863 172.1866 32 P 4.2267 0.0000 0.0000 62.9895 32.0943 175.8278 33 V 4.1697 8.6880 124.4224 61.7496 33.0851 173.7588 34 Y 5.1317 8.8585 129.6899 56.4950 39.8464 174.2173 35 E 4.6360 8.8329 126.4207 54.3132 33.1385 174.7184 36 I 4.6518 8.1315 122.8686 59.0823 40.6289 174.4137 37 V 4.3602 8.9659 129.6732 60.8841 33.9181 173.8503 38 K 4.6871 8.6187 128.8743 54.6608 34.2869 174.5957 39 E 4.5889 8.7795 125.7020 55.0657 34.6044 175.5532 40 G 3.9984 8.7215 106.8875 44.0146 0.0000 171.2409 41 P 4.4576 0.0000 0.0000 62.3067 31.7105 178.0455 42 S 4.2942 8.5039 114.0017 60.7142 63.2018 174.6679 43 H 4.8358 8.0869 115.9423 55.8706 30.3851 174.4924 44 K 4.8707 7.4610 116.7098 55.0131 32.4935 176.0682 45 S 4.7649 7.9505 113.2728 57.8817 65.2308 175.2404 46 L 4.8815 8.7726 121.1143 53.0360 44.8793 175.4127 47 F 5.2057 9.1210 121.7765 55.9161 41.3320 175.1457 48 Q 4.6765 9.2534 123.3845 54.5723 32.6682 173.6193 49 S 5.1646 9.2771 122.5181 57.0603 65.8679 173.1053 50 T 4.6670 8.6756 121.1913 61.7856 71.4768 173.0487 51 V 4.8461 9.0038 127.4953 61.4303 33.7300 174.2989 52 I 4.8536 8.7622 129.9329 59.5935 39.3047 174.6098 53 L 4.7577 8.7476 129.5959 53.2834 45.0032 175.8951 54 D 4.3796 9.9253 127.1189 55.3129 39.5564 174.3664 55 G 3.9153 8.4494 106.1478 44.9854 0.0000 174.0796 56 V 3.7761 7.6185 120.8566 61.6685 32.1376 174.1826 57 R 4.6659 8.0798 127.7223 55.0290 31.5997 174.8376 58 Y 4.7583 8.9865 124.5067 56.5300 40.1296 174.1950 59 N 5.3180 8.7373 122.3297 51.8542 40.1762 175.7765 60 S 4.6430 8.7467 118.6774 57.7404 64.5445 173.7381 61 L 4.3228 8.6969 120.4724 53.6637 42.0144 175.6751 62 P 4.4300 0.0000 0.0000 63.0237 32.3327 175.8919 63 G 3.5936 8.6027 105.1509 45.7505 0.0000 173.0375 64 F 5.0141 7.7412 117.3973 55.8643 40.5683 176.4389 65 F 5.3292 8.9096 122.5217 56.8899 39.6738 175.4247 66 N 4.4421 7.8517 117.4836 51.0595 42.7917 174.4769 67 R 3.5309 7.4448 127.0687 59.3033 30.2127 178.9420 68 K 3.8357 7.7116 117.5831 59.2014 32.0892 178.9545 69 A 3.6391 7.6956 120.2903 55.0130 18.2926 179.3892 70 A 3.5275 7.5705 119.2026 55.0017 18.4641 179.4467 71 E 4.1032 8.0889 119.1311 59.0622 29.6481 179.0655 72 Q 3.9128 8.0402 118.1100 58.9142 28.7511 178.6753 73 S 4.0721 7.8383 113.8895 61.3650 62.4165 175.9963 74 A 4.0849 8.2362 123.1695 55.2909 18.0990 179.4408 75 A 3.9484 8.1391 119.1758 55.2592 18.3477 179.4121 76 E 3.8453 8.4665 118.0840 59.3585 29.6918 179.2108 77 V 3.5858 8.0011 118.0153 66.0247 31.6375 177.8341 78 A 2.6722 7.7892 120.4576 54.6357 18.0746 179.4253 79 L 3.9294 8.0375 118.9369 58.2859 42.2016 179.4072 80 R 3.9451 8.2705 118.3745 59.4228 30.0320 178.9863 81 E 4.1148 8.3864 118.3017 59.0079 29.3616 179.2179 82 L 4.0611 8.1792 121.9256 57.5794 41.9733 178.8592 83 A 4.0100 7.9914 119.6989 55.0113 18.3282 179.4833 84 K 4.1082 7.9640 116.7230 59.5444 32.3744 179.3516 85 S 4.3234 8.1765 113.9610 60.4276 62.9871 174.2647 86 S 4.3155 7.9219 121.2604 58.6495 62.2740 173.2837 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 F 8.18 4.77 0.00 3.28 3.42 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 0.00 0.00 0.00 0.00 17 K 6.75 4.03 0.00 1.43 1.48 0.00 1.37 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.80 0.28 7.81 18 S 9.26 4.59 0.00 3.76 3.20 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 0.00 19 R 8.84 3.44 0.00 1.59 1.21 0.00 3.12 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 20 L 7.52 3.88 0.00 1.92 1.77 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.26 4.11 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 22 E 7.99 3.98 0.00 1.98 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 2.27 2.39 0.00 23 Y 7.90 3.91 0.00 2.95 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 0.00 0.00 0.00 0.00 24 A 8.05 4.03 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 25 Q 8.03 3.94 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 26 K 7.91 4.13 0.00 1.68 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.64 7.81 27 Y 7.79 4.75 0.00 3.07 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 28 K 7.81 3.91 0.00 1.95 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 29 L 8.04 4.64 0.00 1.77 1.64 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.29 0.00 2.02 1.98 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 31 T 8.52 3.74 4.22 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 1.20 0.00 0.00 32 P 0.00 4.23 0.00 0.49 1.56 0.00 3.02 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 33 V 8.69 4.17 2.07 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 1.03 0.00 0.00 0.91 0.00 0.00 34 Y 8.86 5.13 0.00 3.36 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 35 E 8.83 4.64 0.00 1.77 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 2.17 2.17 0.00 36 I 8.13 4.65 1.87 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.96 0.00 0.00 37 V 8.97 4.36 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 0.93 0.00 0.00 0.89 0.00 0.00 38 K 8.62 4.69 0.00 1.47 1.47 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.96 0.47 7.81 39 E 8.78 4.59 0.00 1.84 1.71 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 2.15 2.16 0.00 40 G 8.72 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 41 P 0.00 4.46 0.00 2.31 2.02 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 42 S 8.50 4.29 0.00 3.89 3.94 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 43 H 8.09 4.84 0.00 3.19 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.46 4.87 0.00 1.82 1.88 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 45 S 7.95 4.76 0.00 3.66 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 46 L 8.77 4.88 0.00 1.39 1.40 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.12 5.21 0.00 2.92 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 48 Q 9.25 4.68 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 49 S 9.28 5.16 0.00 4.07 3.95 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 50 T 8.68 4.67 4.18 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 0.00 0.00 0.00 1.24 0.00 0.00 51 V 9.00 4.85 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 1.22 0.00 0.00 1.30 0.00 0.00 52 I 8.76 4.85 1.86 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 1.08 0.59 0.87 0.00 0.00 53 L 8.75 4.76 0.00 1.77 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.93 4.38 0.00 2.83 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 55 G 8.45 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.62 3.78 2.07 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 0.46 0.00 0.00 0.95 0.00 0.00 57 R 8.08 4.67 0.00 1.75 1.68 0.00 3.20 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 58 Y 8.99 4.76 0.00 3.05 2.87 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 59 N 8.74 5.32 0.00 2.65 2.78 0.00 0.00 7.21 7.56 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 60 S 8.75 4.64 0.00 4.09 4.16 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 61 L 8.70 4.32 0.00 1.80 1.55 1.00 0.87 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 62 P 0.00 4.43 0.00 2.08 2.00 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 63 G 8.60 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 64 F 7.74 5.01 0.00 3.32 2.90 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 65 F 8.91 5.33 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.44 0.00 2.77 2.50 0.00 0.00 6.63 7.55 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 67 R 7.44 3.53 0.00 1.40 1.64 0.00 3.39 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 68 K 7.71 3.84 0.00 1.70 1.71 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 69 A 7.70 3.64 1.01 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 0.00 0.00 0.00 0.00 0.00 70 A 7.57 3.53 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 0.00 0.00 0.00 0.00 0.00 71 E 8.09 4.10 0.00 2.19 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 0.00 2.14 1.98 0.00 72 Q 8.04 3.91 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 73 S 7.84 4.07 0.00 3.81 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 74 A 8.24 4.08 1.60 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 0.00 0.00 75 A 8.14 3.95 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 76 E 8.47 3.85 0.00 2.17 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 0.00 2.34 2.39 0.00 77 V 8.00 3.59 2.35 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 1.15 0.00 0.00 1.18 0.00 0.00 78 A 7.79 2.67 0.91 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 0.00 0.00 79 L 8.04 3.93 0.00 1.84 1.82 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.27 3.95 0.00 1.90 1.99 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 81 E 8.39 4.11 0.00 2.10 2.22 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 2.65 2.79 0.00 82 L 8.18 4.06 0.00 1.93 1.91 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.99 4.01 1.36 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 84 K 7.96 4.11 0.00 1.98 1.91 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 85 S 8.18 4.32 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 86 S 7.92 4.32 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