NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3237 8.3049 120.3731 57.2019 32.7482 174.5628 2 I 2.6179 7.9057 115.6049 60.5616 35.9918 169.1403 3 V 2.5719 8.3826 125.9765 63.0660 32.6767 173.1900 4 P 4.7504 0.0000 0.0000 60.8415 33.9919 174.7906 5 V 3.7327 8.1738 121.6412 63.9459 32.3262 174.8220 6 R 3.5368 8.7418 124.6791 56.6316 28.8005 175.5910 7 C 3.8923 8.5288 122.2583 58.9067 31.6128 172.8576 8 F 4.0682 7.6577 122.6961 61.2871 38.6996 176.8964 9 S 4.0628 8.3586 118.7060 62.7536 62.7976 177.0849 10 C 4.3017 7.3477 123.0356 55.0496 44.2006 173.3481 11 G 3.5492 7.6085 117.2061 45.6676 0.0000 173.8259 12 K 3.9533 7.7084 122.7032 56.0019 32.7315 176.4032 13 V 4.1210 8.1703 118.9963 62.4382 31.5946 175.7990 14 V 4.4999 8.2246 111.9045 62.6547 37.8557 176.8775 15 G 3.9023 7.7060 107.8023 47.3214 0.0000 173.2299 16 D 4.7645 7.9211 117.6045 53.4216 40.4021 177.4339 17 K 4.4742 9.3281 119.5388 56.7795 32.7925 177.2628 18 W 4.4027 8.3883 129.2082 60.7671 30.4843 177.0439 19 E 3.7702 8.2736 117.1221 59.6265 29.2629 179.3501 20 S 4.0890 8.1849 114.5063 62.1506 62.7748 176.2881 21 Y 4.0712 7.9714 121.7635 60.5452 38.0934 177.6888 22 L 3.3585 7.3801 119.5042 56.9590 41.6824 178.9816 23 N 4.3255 7.7966 116.8756 55.8103 38.1972 177.3924 24 L 4.1727 7.5185 120.0142 58.1603 41.5005 178.3471 25 L 4.2925 7.4617 121.4912 56.1354 41.1920 178.6251 26 Q 3.8930 7.7672 123.7536 58.5211 29.2678 177.6185 27 E 4.4502 7.7149 117.2020 57.5148 31.1462 176.8107 28 D 4.7038 7.2970 115.7941 54.8334 41.4095 177.2940 29 E 3.8144 7.8266 113.4092 57.4507 26.5550 174.1604 30 L 4.8311 7.9612 121.3314 52.2847 45.7342 175.7825 31 D 4.5555 8.6962 120.9501 53.3335 40.4420 177.8156 32 E 4.1393 8.7739 124.3655 59.2585 29.1507 179.8158 33 G 3.8596 8.2422 105.8824 47.3239 0.0000 175.6831 34 T 4.1190 9.6643 117.4013 66.3856 69.0343 176.4876 35 A 4.2284 8.0921 121.2394 56.0070 18.1278 179.0243 36 L 3.7002 8.5701 115.8834 58.2997 42.1271 179.6519 37 S 4.4354 8.0601 113.2590 62.2659 62.8883 177.0107 38 R 3.9851 8.7075 120.6139 59.5672 29.7726 177.5427 39 L 4.3802 7.9576 116.0117 55.0274 41.7015 177.4205 40 G 3.9796 8.4356 109.5831 45.2278 0.0000 174.2913 41 L 4.0338 7.7092 119.4873 55.0162 41.7676 176.2169 42 K 4.4301 8.6218 122.6792 57.6749 34.8247 177.6275 43 R 4.1133 7.6180 116.6543 55.4481 31.6802 176.8445 44 Y 4.5079 7.9681 119.9486 59.2584 38.4153 177.9846 45 C 4.2277 7.5846 116.9202 61.9341 29.7848 176.4750 46 C 4.4220 7.9928 117.6163 59.0055 34.3806 176.0454 47 R 4.0524 8.3218 120.6640 59.2070 29.6513 179.0432 48 R 4.0262 8.1729 114.6974 59.5166 29.4891 178.1255 49 M 4.1164 7.7538 117.7319 58.0077 32.2260 177.9918 50 I 3.9377 7.5627 119.6062 63.8219 37.5718 177.7603 51 L 4.0505 7.8093 119.1307 57.7584 41.7849 177.3238 52 T 4.6542 7.0504 111.4146 65.8008 70.5579 174.9062 53 H 3.6236 7.1505 122.9651 55.5385 27.5720 174.2345 54 V 4.0438 7.5775 127.4339 61.1210 31.5795 174.5143 55 D 4.2673 7.8545 133.4983 54.4958 41.6714 179.5548 56 L 3.9793 8.2870 120.9288 57.7172 41.6258 178.5599 57 I 4.2030 8.1965 118.4815 64.5352 37.7258 177.2670 58 E 4.0893 8.1913 117.7847 59.0884 29.4241 178.7548 59 K 4.3151 8.4027 118.0937 57.9144 33.1785 178.2904 60 F 4.8286 8.3231 116.5704 59.4920 38.7941 177.3951 61 L 4.1739 8.0782 118.8550 57.4530 41.4850 178.0314 62 R 3.8352 7.3934 118.7101 58.8601 30.0910 175.6296 63 Y 4.5662 7.8008 115.1292 57.0930 38.9681 174.8445 64 N 3.2573 8.0666 117.5397 55.2345 40.9626 172.2442 65 P 4.4579 0.0000 0.0000 63.0516 31.5232 176.8556 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 8.30 4.32 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 2 I 7.91 2.62 1.81 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 1.22 0.63 0.81 0.00 0.00 3 V 8.38 2.57 1.87 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 0.70 0.00 0.00 0.24 0.00 0.00 4 P 0.00 4.75 0.00 1.83 1.80 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 5 V 8.17 3.73 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 0.75 0.00 0.00 0.90 0.00 0.00 6 R 8.74 3.54 0.00 1.90 2.02 0.00 3.25 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 7 C 8.53 3.89 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.66 4.07 0.00 3.11 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 9 S 8.36 4.06 0.00 4.00 4.07 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 10 C 7.35 4.30 0.00 2.92 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 11 G 7.61 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.71 3.95 0.00 1.77 1.66 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.45 7.81 13 V 8.17 4.12 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 0.75 0.00 0.00 0.92 0.00 0.00 14 V 8.22 4.50 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 0.74 0.00 0.00 0.91 0.00 0.00 15 G 7.71 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 0.00 0.00 0.00 16 D 7.92 4.76 0.00 2.80 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 17 K 9.33 4.47 0.00 2.01 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.44 7.81 18 W 8.39 4.40 0.00 3.43 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 19 E 8.27 3.77 0.00 2.07 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 2.55 2.48 0.00 20 S 8.18 4.09 0.00 4.05 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 21 Y 7.97 4.07 0.00 2.96 3.05 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 22 L 7.38 3.36 0.00 1.49 1.42 -0.57 0.68 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 23 N 7.80 4.33 0.00 2.91 2.78 0.00 0.00 6.84 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.52 4.17 0.00 1.60 1.67 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.46 4.29 0.00 1.41 1.40 0.49 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.77 3.89 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 27 E 7.71 4.45 0.00 2.11 1.87 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 2.18 2.41 0.00 28 D 7.30 4.70 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 3.81 0.00 2.00 1.94 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 2.21 2.28 0.00 30 L 7.96 4.83 0.00 1.78 1.49 0.91 0.94 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 31 D 8.70 4.56 0.00 2.83 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 32 E 8.77 4.14 0.00 2.21 2.33 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 2.51 2.55 0.00 33 G 8.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.66 4.12 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 1.22 0.00 0.00 35 A 8.09 4.23 1.52 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 0.00 0.00 0.00 36 L 8.57 3.70 0.00 1.81 1.72 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.06 4.44 0.00 4.05 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 38 R 8.71 3.99 0.00 1.69 2.19 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 39 L 7.96 4.38 0.00 1.63 1.69 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.44 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 41 L 7.71 4.03 0.00 1.62 1.62 0.88 0.79 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 42 K 8.62 4.43 0.00 1.82 1.87 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.35 7.81 43 R 7.62 4.11 0.00 1.79 1.95 0.00 2.88 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 44 Y 7.97 4.51 0.00 3.22 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 45 C 7.58 4.23 0.00 3.19 3.18 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 0.00 46 C 7.99 4.42 0.00 3.03 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 47 R 8.32 4.05 0.00 1.99 2.02 0.00 3.34 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 48 R 8.17 4.03 0.00 1.96 2.23 0.00 3.19 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 49 M 7.75 4.12 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 50 I 7.56 3.94 1.67 0.00 0.00 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 1.36 0.99 0.19 0.00 0.00 51 L 7.81 4.05 0.00 1.61 1.76 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.05 4.65 4.29 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 1.25 0.00 0.00 53 H 7.15 3.62 0.00 3.11 2.99 0.00 5.71 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.58 4.04 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 0.88 0.00 0.00 1.03 0.00 0.00 55 D 7.85 4.27 0.00 2.88 2.75 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 0.00 0.00 0.00 0.00 56 L 8.29 3.98 0.00 2.10 1.69 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.20 4.20 1.94 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 1.65 1.31 0.97 0.00 0.00 58 E 8.19 4.09 0.00 2.21 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 0.00 2.57 2.65 0.00 59 K 8.40 4.32 0.00 1.76 1.69 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.43 7.81 60 F 8.32 4.83 0.00 2.98 3.23 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 61 L 8.08 4.17 0.00 1.71 1.79 1.02 0.98 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 62 R 7.39 3.84 0.00 1.70 1.52 0.00 3.24 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 63 Y 7.80 4.57 0.00 3.06 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 64 N 8.07 3.26 0.00 2.75 2.65 0.00 0.00 7.20 7.69 0.00 0.00 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 P 0.00 4.46 0.00 2.24 2.05 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00