NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9574 8.3393 109.7361 45.6022 0.0000 175.0576 0 S 4.1576 8.0778 114.6682 59.6855 63.8572 173.5547 1 M 4.0874 8.2981 120.7742 56.5676 33.4701 177.4028 2 A 4.3579 7.7536 123.3379 51.3537 19.0076 176.5240 3 D 4.5648 8.3197 120.7066 53.2050 42.0542 174.7643 4 T 4.3792 8.1110 116.0043 61.2249 70.0687 172.6895 5 R 5.1348 8.1380 123.8638 54.5251 31.1987 174.3223 6 R 4.7542 8.4778 123.1446 57.4441 37.6268 177.1036 7 R 4.0299 8.0508 112.7832 58.4575 30.2415 177.6146 8 Q 4.0263 8.0588 116.5663 58.3646 28.8594 175.4044 9 N 4.6749 7.4050 117.9120 53.4020 39.0498 174.1456 10 H 4.7514 8.5848 122.0984 56.2328 30.2546 175.7692 11 S 4.1847 7.9371 116.1831 58.8269 63.2557 173.9251 12 C 5.2796 9.0184 119.4258 58.7577 31.1529 174.4994 13 D 4.4212 9.3584 120.8680 57.4184 40.4372 178.0846 14 P 4.2120 0.0000 0.0000 66.0544 31.2358 178.2804 15 C 3.9802 7.9005 116.1352 62.4577 28.1962 175.7749 16 R 3.5561 7.8009 117.6937 59.3679 28.3818 179.0260 17 K 4.0278 7.5619 118.3046 58.8560 32.1082 178.6584 18 G 3.8300 7.3580 102.6851 43.4758 0.0000 173.2171 19 K 3.7578 7.4420 119.5446 57.2941 31.1155 175.2185 20 R 4.5713 8.4591 116.0545 54.0151 32.1881 176.0443 21 R 5.0005 8.7130 120.8472 53.9357 31.5012 175.3105 22 C 5.0577 8.2541 117.2573 56.0137 32.6737 173.3768 23 D 4.3237 9.0347 118.2830 57.2359 40.4597 175.7898 24 A 2.9913 8.3300 122.3487 51.1829 18.1823 175.3340 25 P 4.5683 0.0000 0.0000 63.3066 33.0186 175.8587 26 E 4.3952 8.7451 117.5179 57.5777 30.4039 176.8052 27 N 5.2173 7.6748 115.8289 51.9177 37.8745 176.1823 28 R 3.2478 8.3231 117.2628 60.2024 29.1895 177.2428 29 N 4.2769 7.9895 117.1035 56.8471 39.1160 176.6692 30 E 4.0081 8.1961 118.8823 58.9059 29.4388 179.0754 31 A 4.0238 8.1933 121.7708 55.2069 18.4204 179.2736 32 N 5.1903 8.4050 116.3835 55.9876 38.3853 177.2747 33 E 3.9562 7.7055 119.7511 59.5211 29.8988 178.3564 34 N 4.6086 8.6532 115.7302 54.2333 38.6323 176.7882 35 G 4.8677 7.9159 120.4219 46.6009 0.0000 172.2950 36 W 4.4292 7.6175 130.3172 57.9899 31.4670 174.6416 37 V 4.8681 6.6502 117.6909 63.1585 37.0152 173.4995 38 S 3.4495 5.8100 111.6136 54.7686 65.2795 174.6254 39 C 4.7152 8.3983 118.0831 58.2572 31.4823 174.7062 40 S 4.1483 8.7668 117.2907 62.0149 62.2472 176.6842 41 N 4.5152 8.2223 119.2892 56.4940 38.3621 176.6960 42 C 4.1168 8.1290 117.3394 63.1484 28.1045 176.4934 43 K 3.9905 8.0250 118.5228 59.0630 31.5914 179.3623 44 R 4.0328 8.2512 118.9055 59.0741 30.3435 177.9320 45 W 4.3923 8.9977 115.4827 55.5664 30.8428 175.6038 46 N 4.3991 8.2322 116.2343 54.1637 36.5511 173.5064 47 K 4.5405 7.1684 122.3874 55.9086 31.3590 180.6239 48 D 4.3734 8.4853 132.1996 54.4359 42.2459 172.1895 49 C 4.4237 8.5799 126.4498 59.7212 31.9530 172.1701 50 T 4.7593 8.5784 120.0239 60.2189 71.2400 173.3908 51 F 5.8802 8.4416 122.8099 57.4024 39.6790 177.8039 52 N 4.5528 8.5886 120.9753 55.4658 38.3510 176.9341 53 W 4.2826 9.2770 118.0295 59.8388 28.1150 178.1619 54 L 3.6003 6.4145 119.4776 56.5437 41.2214 179.2031 55 S 4.2574 7.7758 115.3369 61.3982 62.5292 175.8572 56 S 5.5136 7.8558 116.8083 58.4713 62.5241 175.5188 57 Q 3.9658 7.9703 121.7351 57.5669 27.7245 177.7114 58 R 3.9725 8.3529 125.8527 59.1196 31.4117 176.9908 59 S 4.6942 7.5771 110.5360 56.1957 66.2285 174.2326 60 K 4.8756 8.4124 123.0798 56.1377 29.5020 176.0247 61 N 4.3991 7.8022 117.5039 53.2436 39.4510 175.9287 62 S 4.5065 8.4500 119.2870 57.9701 64.1947 174.4225 63 S 4.4016 8.3938 114.9182 58.6577 63.0814 174.1031 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 G 8.34 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 0.00 0.00 0.00 0 S 8.08 4.16 0.00 4.07 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 1 M 8.30 4.09 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 2 A 7.75 4.36 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.32 4.56 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 R 8.14 5.13 0.00 1.78 1.81 0.00 3.34 0.00 0.00 3.79 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 6 R 8.48 4.75 0.00 1.82 1.89 0.00 3.20 0.00 0.00 3.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 7 R 8.05 4.03 0.00 1.98 2.07 0.00 3.09 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 8 Q 8.06 4.03 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 9 N 7.40 4.67 0.00 2.33 2.58 0.00 0.00 5.62 6.99 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 10 H 8.58 4.75 0.00 3.18 3.57 0.00 5.98 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 11 S 7.94 4.18 0.00 3.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 9.02 5.28 0.00 3.61 3.48 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 13 D 9.36 4.42 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 14 P 0.00 4.21 0.00 2.17 2.28 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 15 C 7.90 3.98 0.00 2.90 3.04 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 16 R 7.80 3.56 0.00 1.57 1.83 0.00 2.21 0.00 0.00 2.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 17 K 7.56 4.03 0.00 1.78 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.54 7.81 18 G 7.36 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.44 3.76 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.33 7.81 20 R 8.46 4.57 0.00 1.66 1.75 0.00 2.93 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 21 R 8.71 5.00 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.92 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 22 C 8.25 5.06 0.00 3.23 3.03 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 23 D 9.03 4.32 0.00 3.12 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 24 A 8.33 2.99 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.57 0.00 2.31 1.96 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 26 E 8.75 4.40 0.00 2.06 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 2.24 2.28 0.00 27 N 7.67 5.22 0.00 2.85 2.93 0.00 0.00 5.95 7.60 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 28 R 8.32 3.25 0.00 1.11 1.30 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.79 0.00 29 N 7.99 4.28 0.00 2.86 2.86 0.00 0.00 7.26 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 30 E 8.20 4.01 0.00 2.08 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 2.41 2.32 0.00 31 A 8.19 4.02 1.16 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 0.00 0.00 32 N 8.40 5.19 0.00 3.09 2.95 0.00 0.00 6.91 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 33 E 7.71 3.96 0.00 1.95 2.25 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 2.34 2.51 0.00 34 N 8.65 4.61 0.00 2.96 2.92 0.00 0.00 7.28 7.36 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 35 G 7.92 4.87 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 36 W 7.62 4.43 0.00 3.33 3.25 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 0.00 37 V 6.65 4.87 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 0.39 0.00 0.00 0.73 0.00 0.00 38 S 5.81 3.45 0.00 3.69 3.51 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 0.00 0.00 0.00 0.00 39 C 8.40 4.72 0.00 3.44 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 40 S 8.77 4.15 0.00 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 0.00 41 N 8.22 4.52 0.00 2.78 2.80 0.00 0.00 7.19 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 42 C 8.13 4.12 0.00 3.07 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 43 K 8.03 3.99 0.00 1.70 1.84 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.29 7.81 44 R 8.25 4.03 0.00 1.85 2.51 0.00 3.65 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.42 0.00 45 W 9.00 4.39 0.00 3.17 3.32 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 46 N 8.23 4.40 0.00 2.90 2.89 0.00 0.00 7.06 7.32 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 47 K 7.17 4.54 0.00 1.76 0.81 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.54 7.81 48 D 8.49 4.37 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.58 4.42 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.58 4.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 51 F 8.44 5.88 0.00 3.10 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 52 N 8.59 4.55 0.00 3.40 2.97 0.00 0.00 6.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 W 9.28 4.28 0.00 3.51 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 54 L 6.41 3.60 0.00 1.38 1.15 -0.29 -1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.78 4.26 0.00 4.04 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 56 S 7.86 5.51 0.00 3.85 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 57 Q 7.97 3.97 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.14 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 58 R 8.35 3.97 0.00 1.72 1.93 0.00 3.15 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 59 S 7.58 4.69 0.00 3.96 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 60 K 8.41 4.88 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 61 N 7.80 4.40 0.00 2.75 2.76 0.00 0.00 7.56 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 62 S 8.45 4.51 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.39 4.40 0.00 3.99 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