NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3573 8.3049 118.1870 54.3316 33.2918 174.8969 2 K 4.1864 7.7353 117.8140 53.9605 34.5710 174.0756 3 K 4.4195 8.4323 119.4890 55.2746 33.5817 176.2439 4 V 3.9111 8.4029 126.1379 63.1243 31.4570 175.9557 5 V 4.2595 8.3919 120.8729 62.9172 33.1359 176.0581 6 A 4.5043 7.4141 119.4279 50.8515 22.4752 175.7160 7 V 4.6007 8.0657 119.6261 59.3923 31.7363 173.5561 8 V 3.6473 8.8254 129.0460 63.3380 32.7339 174.0376 9 K 4.8425 8.5955 129.8138 55.0268 33.2148 175.1736 10 L 4.9414 9.1182 127.1675 52.9754 46.3424 175.7011 11 Q 5.0789 8.6236 119.1822 54.3305 31.5576 174.9064 12 L 4.8505 8.7038 123.7449 51.8551 45.9288 174.5549 13 P 4.7743 0.0000 0.0000 62.1827 32.4995 175.9062 14 A 3.8851 8.5090 127.8923 53.9366 18.6454 177.6456 15 G 4.0139 8.9901 110.3162 46.1123 0.0000 173.9073 16 K 4.6538 7.9491 117.4141 55.6063 33.5490 176.7648 17 A 4.0916 8.7788 121.9375 52.5074 18.7861 177.5968 18 T 4.7226 7.7530 109.1986 59.4475 72.3892 172.3737 19 P 4.2721 0.0000 0.0000 64.9299 31.6370 177.2058 20 A 4.3056 7.3853 120.6834 51.1487 18.8594 174.9098 21 P 4.2944 0.0000 0.0000 63.0176 31.9233 175.8598 22 P 4.4027 0.0000 0.0000 64.2741 31.4045 179.1444 23 V 3.5457 7.4847 118.1917 66.2578 31.3976 177.4769 24 G 3.6767 7.8624 104.6562 47.6765 0.0000 173.3142 25 P 4.1975 0.0000 0.0000 64.8350 31.2837 178.7061 26 A 3.8787 7.9386 118.2898 55.3097 18.7139 179.4380 27 L 4.0527 7.9620 117.6265 57.4499 41.7458 179.6922 28 G 3.7130 8.3282 106.4520 47.9645 0.0000 175.5951 29 Q 4.1377 7.7179 118.3377 58.0443 28.1502 176.7424 30 H 4.7117 7.9761 118.0924 55.2952 29.1992 175.8222 31 G 3.8980 8.1928 106.1745 45.7663 0.0000 174.6765 32 A 4.4400 7.2911 120.9977 51.1431 19.2579 178.1739 33 N 4.6744 8.7258 117.9604 52.7446 38.9301 175.7115 34 I 3.6672 8.1488 129.8113 64.7140 37.4021 178.2435 35 M 4.1331 8.0445 118.9417 58.1941 31.8474 178.5070 36 E 4.1500 8.3865 119.2350 59.4091 29.6887 179.1585 37 F 4.3115 8.2746 120.4236 61.0383 39.3878 177.2055 38 V 3.3093 8.0820 118.2667 66.2527 31.4544 178.2985 39 K 4.0214 8.1559 117.6840 59.1261 31.9554 179.4509 40 A 4.1054 8.0259 121.3055 55.1331 18.4496 179.4720 41 F 3.7091 8.0789 119.4650 61.4484 39.1402 177.1702 42 N 4.3070 7.9986 114.6475 56.0924 38.3281 176.9957 43 A 4.1026 7.7310 121.2044 54.9032 18.5618 179.2035 44 A 4.1687 7.7256 118.5033 54.0855 18.5758 178.2867 45 T 4.3201 7.3077 106.3347 61.3510 69.1310 175.6538 46 A 4.1252 7.9307 127.1835 55.2087 18.8217 179.0665 47 N 4.6593 8.0095 111.4835 53.9191 37.7877 175.0620 48 M 4.7473 7.5724 117.6416 53.9015 31.8426 175.6301 49 G 3.8051 8.1377 107.1560 48.8652 0.0000 172.9077 50 D 4.8708 9.0078 122.0686 53.9035 41.2549 174.5775 51 A 4.3494 7.3330 118.8806 51.5973 19.9404 176.6036 52 I 4.3336 8.2181 120.5016 60.7455 38.4610 175.7288 53 V 4.3889 8.6408 127.4478 60.4424 33.4970 173.0468 54 P 5.1905 0.0000 0.0000 62.6680 32.8497 176.0351 55 V 4.9945 9.1717 122.7057 60.5131 35.5129 173.4186 56 E 5.1079 9.1420 123.7176 54.8032 31.8301 174.8451 57 I 4.7471 8.5968 127.0220 60.5662 39.0903 175.2589 58 T 4.6694 9.3202 124.7929 62.1958 70.1903 173.6769 59 I 4.6343 8.0169 127.8683 60.1049 39.4659 175.5609 60 Y 5.1835 8.3232 124.1263 55.9409 40.2355 175.0148 61 A 4.1694 8.8607 122.3993 56.3717 18.6204 179.4044 62 D 4.6068 8.0320 110.8501 53.9762 39.1507 177.1254 63 R 4.1260 8.1330 118.1281 56.5145 28.5120 176.0935 64 S 4.7252 7.8114 113.7026 58.1668 64.8163 172.7070 65 F 5.7431 8.2009 114.2527 55.6490 41.0699 173.9166 66 T 5.0200 9.0086 109.6899 60.1739 72.2083 172.6079 67 F 6.1113 8.3887 117.5992 54.2074 42.1330 174.2745 68 V 4.5424 8.4573 118.1884 61.6501 34.2192 174.2894 69 T 5.3804 8.7252 117.9973 60.0845 70.7197 174.1169 70 K 4.7338 8.5129 120.7339 55.0674 36.7632 175.7895 71 T 4.5784 8.7095 122.0674 62.3103 68.8110 173.8551 72 P 5.1229 0.0000 0.0000 60.9369 31.9054 171.3247 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 4.36 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 7.74 4.19 0.00 1.45 1.72 0.00 0.69 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.18 1.25 7.81 3 K 8.43 4.42 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 4 V 8.40 3.91 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 0.73 0.00 0.00 1.01 0.00 0.00 5 V 8.39 4.26 2.14 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 0.74 0.00 0.00 0.99 0.00 0.00 6 A 7.41 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.07 4.60 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 0.71 0.00 0.00 0.91 0.00 0.00 8 V 8.83 3.65 1.90 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 0.83 0.00 0.00 0.79 0.00 0.00 9 K 8.60 4.84 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.45 7.81 10 L 9.12 4.94 0.00 1.50 1.41 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.62 5.08 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 12 L 8.70 4.85 0.00 1.13 1.25 0.25 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.77 0.00 2.11 2.01 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 14 A 8.51 3.89 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 15 G 8.99 4.01 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 0.00 16 K 7.95 4.65 0.00 1.69 1.77 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 17 A 8.78 4.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.72 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 19 P 0.00 4.27 0.00 2.19 2.13 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 20 A 7.39 4.31 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 21 P 0.00 4.29 0.00 2.02 2.00 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 22 P 0.00 4.40 0.00 2.08 2.03 0.00 3.53 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 23 V 7.48 3.55 2.20 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 1.06 0.00 0.00 0.93 0.00 0.00 24 G 7.86 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.20 0.00 2.12 2.09 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 26 A 7.94 3.88 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 27 L 7.96 4.05 0.00 1.70 1.52 0.30 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.33 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 0.00 0.00 0.00 29 Q 7.72 4.14 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.29 0.00 0.00 0.00 0.00 0.00 2.62 2.27 0.00 30 H 7.98 4.71 0.00 3.21 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.19 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 32 A 7.29 4.44 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 33 N 8.73 4.67 0.00 2.97 3.10 0.00 0.00 6.89 7.62 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 34 I 8.15 3.67 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.90 0.00 0.00 35 M 8.04 4.13 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 36 E 8.39 4.15 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 37 F 8.27 4.31 0.00 2.23 2.89 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 38 V 8.08 3.31 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 0.96 0.00 0.00 0.95 0.00 0.00 39 K 8.16 4.02 0.00 2.13 1.89 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 40 A 8.03 4.11 1.75 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 0.00 0.00 41 F 8.08 3.71 0.00 1.69 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.00 4.31 0.00 2.82 2.86 0.00 0.00 7.07 7.44 0.00 0.00 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 A 7.73 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.17 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 45 T 7.31 4.32 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 0.53 0.00 0.00 46 A 7.93 4.13 1.32 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 0.00 0.00 0.00 47 N 8.01 4.66 0.00 2.82 2.92 0.00 0.00 5.82 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 48 M 7.57 4.75 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 49 G 8.14 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 50 D 9.01 4.87 0.00 2.78 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 51 A 7.33 4.35 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 4.33 1.90 0.00 0.00 0.88 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 0.88 0.98 0.00 0.00 53 V 8.64 4.39 2.51 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 54 P 0.00 5.19 0.00 2.18 1.99 0.00 3.84 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 55 V 9.17 4.99 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.32 0.00 0.00 56 E 9.14 5.11 0.00 2.02 1.93 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 2.23 2.29 0.00 57 I 8.60 4.75 1.58 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.56 0.72 0.00 0.00 58 T 9.32 4.67 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 0.88 0.00 0.00 59 I 8.02 4.63 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 1.02 0.00 0.00 60 Y 8.32 5.18 0.00 3.03 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 61 A 8.86 4.17 1.35 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 0.00 0.00 0.00 62 D 8.03 4.61 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 63 R 8.13 4.13 0.00 2.18 2.24 0.00 3.16 0.00 0.00 3.41 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 64 S 7.81 4.73 0.00 3.94 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 65 F 8.20 5.74 0.00 3.00 3.01 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 66 T 9.01 5.02 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 1.34 0.00 0.00 67 F 8.39 6.11 0.00 3.29 3.28 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 68 V 8.46 4.54 2.17 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 1.08 0.00 0.00 0.97 0.00 0.00 69 T 8.73 5.38 4.33 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 1.44 0.00 0.00 70 K 8.51 4.73 0.00 1.73 1.72 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 71 T 8.71 4.58 4.25 0.00 0.00 0.00 0.00 0.00 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 72 P 0.00 5.12 0.00 2.03 1.73 0.00 3.67 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.50 0.00