NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2021 0.0000 0.0000 62.1141 32.6735 175.7462 6 E 4.2136 8.4816 122.6711 53.6523 30.4627 171.2824 7 V 4.1335 8.2117 123.5033 60.7490 33.5158 173.7462 8 P 5.2010 0.0000 0.0000 61.6905 32.9829 174.7209 9 F 5.0654 7.6187 114.2048 55.4211 41.7229 173.2019 10 K 4.8923 8.7256 118.8838 55.9215 33.3148 176.6342 11 V 4.7586 8.6726 115.6735 59.8510 36.9702 174.2645 12 V 4.6138 8.3435 122.2746 60.6380 34.1632 174.4901 13 A 4.1236 8.5660 131.0014 52.6298 18.4982 177.9709 14 Q 3.6789 8.6162 122.8048 58.4818 29.2768 177.1801 15 F 5.1584 7.7882 115.0994 54.4712 42.9585 173.3818 16 P 4.6519 0.0000 0.0000 63.2745 32.1657 174.7473 17 Y 4.8288 8.0766 124.2576 55.7320 40.9483 174.3088 18 K 4.5293 8.4370 127.8074 54.8783 34.6973 174.7439 19 S 4.6739 8.5456 121.7613 56.7143 65.8187 173.5478 20 D 4.5883 8.1272 117.4441 54.3067 41.0792 176.3008 21 Y 4.7106 6.9686 116.3502 56.6691 39.4577 175.6438 22 E 4.1663 8.9238 123.3339 59.6601 30.4310 178.4189 23 D 4.3808 8.3142 118.0668 57.5009 41.9478 176.4606 24 D 5.3075 7.7161 118.0798 53.9139 41.7218 176.1954 25 L 4.4647 8.9635 126.2414 55.0423 42.5229 176.0329 26 N 4.9041 8.8248 123.9276 52.5862 40.6127 173.8445 27 F 4.9241 7.9771 114.4595 57.5332 42.1989 172.7645 28 E 4.9442 8.4957 119.0758 54.2435 32.1944 175.7056 29 K 4.1062 8.5377 121.3759 57.9743 32.6312 175.8842 30 D 4.3314 8.7113 122.6393 54.9202 39.2143 173.5948 31 Q 3.9594 7.2714 121.1839 55.7914 30.0057 174.5976 32 E 4.6183 8.4724 127.6633 55.7855 30.8825 175.5287 33 I 4.7136 8.5822 126.7342 59.7383 42.0571 174.0860 34 I 4.4616 8.4791 127.8327 59.9068 38.8257 175.2151 35 V 4.0780 8.0252 128.9712 62.9319 31.5450 176.3834 36 T 4.5479 8.5410 118.4288 62.5382 70.4264 174.9772 37 S 4.6980 7.8685 115.4327 57.1059 66.5333 174.1228 38 V 4.5727 8.4860 122.5445 61.8761 31.1295 175.6464 39 E 4.2367 8.8576 128.1308 59.1362 29.9944 176.5567 40 D 4.4058 7.5015 116.9280 52.8248 41.1636 174.9032 41 A 4.1012 8.8160 119.4536 54.9161 18.9118 178.0833 42 E 4.3413 8.4844 113.0053 55.9127 31.6328 176.1042 43 W 4.8735 7.7078 119.8520 55.0464 33.0260 174.5967 44 Y 4.9824 7.9910 123.2155 57.5351 39.3858 174.4469 45 F 5.3524 9.0721 122.7986 56.8254 43.0386 173.9965 46 G 4.2471 7.8451 111.4142 45.9559 0.0000 171.3289 47 E 5.4923 8.7496 117.2716 55.0263 33.7893 173.9627 48 Y 5.0577 8.1804 116.7803 55.8335 42.1219 174.1238 49 Q 4.2705 8.7042 122.0667 54.7110 28.8591 175.1220 50 D 4.8199 8.3321 126.3558 52.9297 40.2247 177.5314 51 S 4.2080 8.5814 114.4481 61.7892 62.7518 175.7506 52 N 4.4173 8.1297 115.7145 54.3564 38.4057 175.9572 53 G 3.9961 8.1036 107.0499 45.1667 0.0000 173.8410 54 D 4.4956 7.6898 120.0803 53.9684 41.5392 175.5977 55 V 4.4236 8.0429 122.8314 62.4879 32.9062 175.2014 56 I 4.7165 8.2682 120.2159 59.0441 40.5462 174.0114 57 E 5.1202 10.0397 122.9303 53.6719 33.1896 174.7971 58 G 4.6319 7.0330 109.6783 44.3607 0.0000 171.7605 59 I 5.4774 8.3533 114.1942 60.1082 39.3019 175.0283 60 F 5.6074 8.3047 117.8965 54.7401 41.4550 171.6985 61 P 3.6657 0.0000 0.0000 62.1128 31.5222 178.0982 62 K 3.7868 7.9904 123.4584 59.0109 32.1865 179.7724 63 S 4.1721 7.5212 112.6562 60.9592 63.4146 174.8867 64 F 5.1589 7.8914 117.5250 58.2117 38.9188 174.8583 65 V 5.1229 7.7494 113.3207 59.4570 35.8151 174.6601 66 A 4.8341 8.4974 123.0580 49.9673 22.1587 176.6714 67 V 3.8968 8.4520 120.0408 63.2103 31.3451 175.8539 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 5 P 0.00 4.20 0.00 0.82 1.50 0.00 3.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.84 0.00 6 E 8.48 4.21 0.00 2.06 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 2.29 2.31 0.00 7 V 8.21 4.13 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 0.88 0.00 0.00 1.00 0.00 0.00 8 P 0.00 5.20 0.00 2.04 2.04 0.00 3.37 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 9 F 7.62 5.07 0.00 3.07 3.24 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 10 K 8.73 4.89 0.00 1.69 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.47 7.81 11 V 8.67 4.76 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 0.90 0.00 0.00 0.92 0.00 0.00 12 V 8.34 4.61 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 0.86 0.00 0.00 0.87 0.00 0.00 13 A 8.57 4.12 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 Q 8.62 3.68 0.00 1.46 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 15 F 7.79 5.16 0.00 2.65 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 16 P 0.00 4.65 0.00 2.09 2.11 0.00 3.87 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 2.02 2.01 0.00 17 Y 8.08 4.83 0.00 2.93 1.56 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 0.00 0.00 0.00 0.00 18 K 8.44 4.53 0.00 1.62 1.54 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.37 7.81 19 S 8.55 4.67 0.00 4.02 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.13 4.59 0.00 2.15 2.44 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 0.00 0.00 0.00 0.00 21 Y 6.97 4.71 0.00 3.25 2.86 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 22 E 8.92 4.17 0.00 2.10 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 2.41 2.44 0.00 23 D 8.31 4.38 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 5.31 0.00 2.91 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 25 L 8.96 4.46 0.00 2.11 2.19 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.82 4.90 0.00 2.65 2.67 0.00 0.00 6.99 7.45 0.00 0.00 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 F 7.98 4.92 0.00 2.85 2.92 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 28 E 8.50 4.94 0.00 1.93 1.95 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 2.38 2.27 0.00 29 K 8.54 4.11 0.00 1.73 1.71 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.60 7.81 30 D 8.71 4.33 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 31 Q 7.27 3.96 0.00 2.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 32 E 8.47 4.62 0.00 1.93 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 2.21 2.26 0.00 33 I 8.58 4.71 1.53 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.03 0.82 0.00 0.00 34 I 8.48 4.46 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.82 0.00 0.00 35 V 8.03 4.08 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 0.00 0.00 0.50 0.00 0.00 0.03 0.00 0.00 36 T 8.54 4.55 4.34 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 1.20 0.00 0.00 37 S 7.87 4.70 0.00 3.94 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 38 V 8.49 4.57 2.23 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 1.00 0.00 0.00 1.28 0.00 0.00 39 E 8.86 4.24 0.00 2.27 1.99 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 2.47 2.44 0.00 40 D 7.50 4.41 0.00 2.74 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 0.00 0.00 0.00 41 A 8.82 4.10 1.29 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 0.00 0.00 42 E 8.48 4.34 0.00 1.93 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 2.07 2.19 0.00 43 W 7.71 4.87 0.00 3.29 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 44 Y 7.99 4.98 0.00 1.67 2.32 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 45 F 9.07 5.35 0.00 3.15 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 46 G 7.85 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 0.00 0.00 0.00 0.00 47 E 8.75 5.49 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 48 Y 8.18 5.06 0.00 3.11 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 49 Q 8.70 4.27 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 50 D 8.33 4.82 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.21 0.00 3.91 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 52 N 8.13 4.42 0.00 2.87 2.87 0.00 0.00 7.08 7.65 0.00 0.00 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 G 8.10 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 54 D 7.69 4.50 0.00 2.91 2.55 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 55 V 8.04 4.42 2.04 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 0.73 0.00 0.00 0.90 0.00 0.00 56 I 8.27 4.72 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.28 0.80 0.00 0.00 57 E 10.04 5.12 0.00 1.56 1.79 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 2.17 2.36 0.00 58 G 7.03 4.63 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 0.00 0.00 0.00 59 I 8.35 5.48 2.22 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.65 1.15 0.00 0.00 60 F 8.30 5.61 0.00 3.41 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 61 P 0.00 3.67 0.00 0.49 0.66 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 62 K 7.99 3.79 0.00 1.43 1.39 0.00 1.39 0.00 0.00 1.04 0.00 0.00 2.55 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.73 7.81 63 S 7.52 4.17 0.00 4.08 3.93 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 64 F 7.89 5.16 0.00 3.26 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 65 V 7.75 5.12 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 0.55 0.00 0.00 1.44 0.00 0.00 66 A 8.50 4.83 1.26 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 0.00 0.00 67 V 8.45 3.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.96 0.00 0.00