NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3778 8.4444 116.7522 56.1629 31.5036 174.5008 9 R 4.3159 7.9773 116.8837 54.9751 32.8411 169.0055 10 V 4.1023 8.8229 125.5110 62.0050 33.3884 174.6383 11 F 4.8844 8.5724 124.1234 54.9173 42.8679 174.3939 12 A 4.3333 8.8903 124.0455 52.6421 19.0571 176.3666 13 A 4.8947 8.7364 124.3753 50.7660 20.6955 176.3572 14 E 4.3155 9.0430 123.4801 58.2152 30.5016 176.3061 15 S 4.5334 7.4339 111.0618 57.7894 66.1761 173.4950 16 I 4.6655 8.2119 121.5253 59.8291 37.9602 175.7891 17 I 4.5218 8.1961 119.0168 60.7966 39.3157 174.9752 18 K 4.6411 7.0199 122.5854 55.6408 35.6324 173.7758 19 R 5.2559 8.6273 123.0287 54.7924 33.4218 173.9740 20 R 4.6818 9.1755 120.4427 55.0663 33.5672 173.3808 21 I 4.7972 8.0639 120.4858 59.6560 39.0886 175.5135 22 R 4.3474 8.6876 126.7752 55.7346 33.1322 174.9647 23 K 3.9331 9.7334 124.6408 57.6646 29.6583 175.8390 24 G 3.9457 8.4214 102.9740 45.6280 0.0000 173.4813 25 R 4.6932 7.8257 115.1875 53.8810 32.6963 174.1136 26 I 4.4369 8.0351 119.6485 60.9368 38.6402 174.8027 27 E 4.9567 9.1648 125.5261 54.7168 33.8168 174.3175 28 Y 5.0292 9.0493 119.6442 56.0309 41.7540 174.7401 29 L 3.6403 8.2213 126.7068 54.0959 43.2062 175.5900 30 V 3.8653 8.3020 128.4594 61.2114 32.8916 174.8874 31 K 4.1009 8.1762 130.6207 54.7195 33.0204 175.8386 32 W 4.7640 8.4084 128.3970 55.8521 30.6218 176.0998 33 K 4.2644 8.9753 126.3481 57.8088 31.8787 177.1241 34 G 3.9524 9.1980 113.8693 45.3988 0.0000 172.5119 35 W 4.7043 8.0088 118.3923 54.0258 31.8089 175.7207 36 A 4.2948 8.8615 125.4773 52.0036 18.7167 178.3477 37 I 3.7788 8.4251 113.3018 63.7282 37.6028 178.6061 38 K 3.9291 7.8370 118.8841 59.1869 32.4827 176.9378 39 Y 4.8539 7.6066 115.7910 57.9170 38.2393 175.7889 40 S 4.7083 7.9395 117.8302 59.3189 64.2873 173.5338 41 T 4.9055 8.5367 111.7398 59.6299 72.3896 172.9148 42 W 4.8044 8.9112 123.7249 56.6944 29.9722 175.5281 43 E 5.0459 9.4394 124.4973 53.5627 33.1303 174.1467 44 P 4.8763 0.0000 0.0000 62.2916 32.4264 176.9788 45 E 4.2167 8.6300 118.8367 59.6418 29.3942 179.2402 46 E 4.0742 8.1841 115.7928 58.5081 29.7732 177.2328 47 N 4.5246 8.3447 116.2015 54.2678 38.9237 175.2489 48 I 4.1714 7.5755 120.0635 60.0378 36.3462 175.5206 49 L 4.0791 8.4216 126.4730 56.0424 42.2370 176.7251 50 D 4.7268 7.8949 120.7029 52.8665 41.7468 177.2645 51 S 4.1903 8.5332 127.7267 62.9914 62.2178 172.9286 52 R 4.0994 8.0329 119.8453 59.7304 29.5713 178.3590 53 L 3.8983 7.9158 118.8918 57.8658 41.6002 179.6905 54 I 3.3697 7.4516 118.6300 64.2499 37.1835 177.8800 55 A 4.1321 7.9083 121.3801 55.3607 18.1127 179.5161 56 A 3.9086 8.6115 119.2574 55.2200 18.4297 179.5533 57 F 4.0744 7.9625 119.0228 61.4887 39.5903 177.2160 58 E 3.7233 8.6795 118.4540 59.4889 29.1151 179.1821 59 Q 3.9844 8.3110 120.9977 59.7415 29.2811 178.7106 60 K 4.0788 8.1479 124.7601 59.7009 31.4354 180.9178 61 E 3.9812 7.7870 118.3255 59.3072 29.4008 179.0588 62 R 4.1273 7.5449 115.6241 57.3577 30.4147 176.4614 63 E 4.2047 7.5456 123.3637 56.3581 29.6510 175.7557 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 8 E 8.44 4.38 0.00 2.01 1.81 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 2.13 1.88 0.00 9 R 7.98 4.32 0.00 1.71 1.78 0.00 3.00 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 10 V 8.82 4.10 2.01 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 0.91 0.00 0.00 0.93 0.00 0.00 11 F 8.57 4.88 0.00 2.71 2.94 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 12 A 8.89 4.33 1.42 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 0.00 0.00 13 A 8.74 4.89 1.02 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 0.00 0.00 14 E 9.04 4.32 0.00 2.00 2.13 0.00 0.00 0.00 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 2.26 0.00 15 S 7.43 4.53 0.00 3.84 3.85 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 16 I 8.21 4.67 1.66 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.33 0.36 0.00 0.00 17 I 8.20 4.52 1.83 0.00 0.00 0.72 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 0.42 0.85 0.00 0.00 18 K 7.02 4.64 0.00 1.83 1.29 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 0.99 7.81 19 R 8.63 5.26 0.00 1.74 1.92 0.00 3.35 0.00 0.00 3.68 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.00 20 R 9.18 4.68 0.00 1.51 1.52 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.18 0.00 21 I 8.06 4.80 1.81 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 1.17 0.56 0.89 0.00 0.00 22 R 8.69 4.35 0.00 1.52 1.56 0.00 3.10 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 23 K 9.73 3.93 0.00 1.85 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.32 7.81 24 G 8.42 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 0.00 0.00 0.00 25 R 7.83 4.69 0.00 1.95 1.97 0.00 2.78 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 26 I 8.04 4.44 1.82 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 1.28 0.64 0.46 0.00 0.00 27 E 9.16 4.96 0.00 1.86 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 2.25 2.21 0.00 28 Y 9.05 5.03 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.64 0.00 0.27 0.81 -0.05 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.30 3.87 1.08 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 -0.89 0.00 0.00 nan 0.00 0.00 31 K 8.18 4.10 0.00 1.77 1.67 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.26 7.81 32 W 8.41 4.76 0.00 3.38 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 33 K 8.98 4.26 0.00 1.88 2.04 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.47 7.81 34 G 9.20 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 0.00 0.00 0.00 35 W 8.01 4.70 0.00 3.43 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 36 A 8.86 4.29 1.31 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 0.00 0.00 0.00 37 I 8.43 3.78 1.84 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 1.47 0.67 0.88 0.00 0.00 38 K 7.84 3.93 0.00 1.61 1.79 0.00 1.16 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.95 0.21 7.81 39 Y 7.61 4.85 0.00 3.40 2.96 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 40 S 7.94 4.71 0.00 3.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 4.91 4.40 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 1.31 0.00 0.00 42 W 8.91 4.80 0.00 3.22 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 43 E 9.44 5.05 0.00 1.92 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 2.56 2.65 0.00 44 P 0.00 4.88 0.00 2.62 2.22 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 45 E 8.63 4.22 0.00 2.31 2.59 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 2.38 2.35 0.00 46 E 8.18 4.07 0.00 2.13 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 0.00 2.33 2.31 0.00 47 N 8.34 4.52 0.00 2.98 3.04 0.00 0.00 6.96 7.03 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 48 I 7.58 4.17 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.78 0.00 0.00 49 L 8.42 4.08 0.00 1.67 1.75 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.89 4.73 0.00 2.65 2.52 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 51 S 8.53 4.19 0.00 3.77 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 52 R 8.03 4.10 0.00 1.85 1.93 0.00 3.07 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 53 L 7.92 3.90 0.00 1.72 1.54 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.45 3.37 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.04 0.82 0.00 0.00 55 A 7.91 4.13 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 56 A 8.61 3.91 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 57 F 7.96 4.07 0.00 3.18 3.22 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 58 E 8.68 3.72 0.00 2.18 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 2.50 2.69 0.00 59 Q 8.31 3.98 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 60 K 8.15 4.08 0.00 1.81 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 61 E 7.79 3.98 0.00 1.77 1.82 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 1.56 1.47 0.00 62 R 7.54 4.13 0.00 1.89 1.94 0.00 3.13 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 63 E 7.55 4.20 0.00 1.86 1.82 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 2.23 2.32 0.00