NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4347 8.3049 118.2084 54.4644 33.1268 174.3824 2 I 4.6507 7.7451 120.9373 59.5658 39.0193 173.7941 3 I 4.3991 8.8526 129.5936 60.7548 38.9523 174.5603 4 N 5.3203 8.6074 121.8989 51.0863 40.7632 173.6559 5 N 4.8950 8.6576 117.3471 52.9820 39.7188 176.7548 6 L 3.7828 8.2856 122.7290 58.1715 41.9698 178.7912 7 K 4.0967 7.8267 120.2006 58.8776 32.1499 178.1696 8 L 3.9149 7.8259 120.0519 58.3290 42.0025 178.9552 9 I 3.6926 7.7785 119.5956 64.2130 37.1553 178.2393 10 R 3.8639 8.2789 119.9891 59.7164 29.9195 178.4790 11 E 4.0085 8.5507 118.6120 59.2752 29.2073 179.4357 12 K 4.0233 8.1222 118.1216 58.9987 32.1781 178.5463 13 K 4.2048 7.8953 115.9703 55.2533 33.2927 176.5798 14 K 3.8109 7.7218 118.1573 57.8514 29.8975 175.3248 15 I 4.5600 7.6149 117.7487 59.3954 39.9503 177.4553 16 S 4.5651 8.6997 120.0120 57.4245 65.7120 175.2496 17 Q 4.0134 8.4762 120.4850 59.2786 28.2187 179.3509 18 S 4.1601 8.0087 115.6488 61.5200 62.7945 176.5051 19 E 3.9371 7.6083 120.7151 59.2178 29.3571 179.0713 20 L 3.8696 7.8825 120.1363 58.0957 42.2242 178.7302 21 A 3.9912 8.4512 120.9750 55.2003 18.1515 179.5099 22 A 3.9311 7.8009 119.2239 55.2011 18.1999 179.8614 23 L 3.6318 7.3516 116.5573 57.5662 41.6604 179.1343 24 L 4.2069 7.6943 116.8412 54.4225 42.3916 176.4002 25 E 3.7851 7.6695 117.6528 57.7822 27.4387 174.1315 26 V 4.5481 7.4277 109.0774 58.8938 35.8774 176.1742 27 S 4.2464 8.3245 115.4443 58.1853 62.9901 175.0305 28 R 3.9461 8.7014 125.9049 59.7982 29.6595 178.8075 29 Q 4.0437 8.1631 117.3349 59.3364 28.6933 178.9320 30 T 4.2060 7.9613 116.8232 66.5338 68.4956 177.0149 31 I 3.7889 7.7795 121.3764 64.3933 37.1976 177.7652 32 N 4.3859 8.6379 118.3779 56.6159 38.7151 177.0865 33 G 3.5619 8.3809 108.7962 47.1601 0.0000 175.7189 34 I 3.8138 7.7653 122.2050 64.2900 37.2621 178.3852 35 E 3.9954 8.3852 119.3313 58.7827 28.9688 178.5662 36 K 4.4247 7.6227 115.9210 55.4520 32.3339 176.2423 37 N 4.3177 7.8712 115.2293 54.3833 36.2764 175.8040 38 K 4.0940 8.0185 120.7055 58.8115 32.5501 176.5510 39 Y 4.7715 6.7723 114.3668 56.4354 40.2023 172.6012 40 N 5.2149 8.5549 117.7512 50.6023 41.1300 173.2921 41 P 4.5266 0.0000 0.0000 62.0397 32.3945 176.6183 42 S 4.2912 8.2485 114.4121 57.9423 64.8495 174.9358 43 L 3.8132 8.2827 123.2138 58.3729 41.7147 178.7365 44 Q 3.9262 7.9562 118.9048 59.0574 28.9890 177.7622 45 L 3.9524 7.6953 121.2243 58.0906 42.0953 178.7206 46 A 4.0163 8.2641 121.0737 55.3136 18.2889 179.6437 47 L 4.0149 8.3860 117.8396 57.8747 41.5740 179.9736 48 K 4.1119 8.3260 118.7023 59.3137 31.9859 179.4896 49 I 3.8814 8.3548 120.3491 64.4659 37.1362 178.3069 50 A 4.0805 8.4065 121.7036 55.1991 17.9683 178.9718 51 Y 3.8792 7.9584 117.0561 61.2461 38.9955 177.8506 52 Y 4.2182 8.1341 115.5800 59.9487 38.1978 176.9999 53 L 4.3218 8.0632 117.9562 53.7547 42.6849 175.8658 54 N 4.1569 7.9200 115.6983 53.6416 36.5115 173.8861 55 C 4.7729 7.7229 109.6011 55.6968 33.1637 171.9912 56 P 4.3089 0.0000 0.0000 62.8818 31.7871 177.0714 57 L 4.0705 8.7572 123.2907 58.5036 42.0832 178.6401 58 E 4.8051 8.0131 114.3710 57.4621 29.6011 177.4237 59 D 4.5236 8.1257 119.0821 56.4363 41.4912 177.2012 60 I 4.0543 8.1968 119.8360 62.0307 39.3424 176.0067 61 F 5.3705 8.0609 120.3724 55.6871 42.2352 174.3368 62 Q 4.9908 9.5911 122.9460 53.7566 32.0925 174.3663 63 W 5.4595 8.9215 132.8605 55.7948 33.6563 174.4126 64 Q 3.7954 7.2054 122.2693 53.6966 30.7950 172.4819 65 P 3.8573 0.0000 0.0000 62.9327 31.3837 176.0848 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 4.43 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.76 0.00 2 I 7.75 4.65 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.97 1.15 0.00 0.00 3 I 8.85 4.40 1.89 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 1.28 0.57 0.91 0.00 0.00 4 N 8.61 5.32 0.00 2.34 2.76 0.00 0.00 5.93 8.04 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 5 N 8.66 4.89 0.00 2.72 2.73 0.00 0.00 6.76 6.36 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 6 L 8.29 3.78 0.00 1.48 1.70 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.83 4.10 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.34 7.81 8 L 7.83 3.91 0.00 1.76 1.77 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.78 3.69 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.48 0.89 0.00 0.00 10 R 8.28 3.86 0.00 1.89 2.07 0.00 3.06 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 11 E 8.55 4.01 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 12 K 8.12 4.02 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 13 K 7.90 4.20 0.00 1.86 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.56 7.81 14 K 7.72 3.81 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 15 I 7.61 4.56 1.88 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 1.36 0.76 0.91 0.00 0.00 16 S 8.70 4.57 0.00 4.04 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 17 Q 8.48 4.01 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 18 S 8.01 4.16 0.00 3.86 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 19 E 7.61 3.94 0.00 2.40 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 20 L 7.88 3.87 0.00 1.78 1.80 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.45 3.99 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 22 A 7.80 3.93 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 23 L 7.35 3.63 0.00 1.23 0.25 0.77 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.69 4.21 0.00 1.77 1.76 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.67 3.79 0.00 2.05 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 2.24 2.24 0.00 26 V 7.43 4.55 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 27 S 8.32 4.25 0.00 3.86 3.76 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 28 R 8.70 3.95 0.00 1.92 1.93 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 29 Q 8.16 4.04 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 30 T 7.96 4.21 4.47 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 0.00 0.00 1.34 0.00 0.00 31 I 7.78 3.79 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 0.94 0.00 0.00 32 N 8.64 4.39 0.00 3.04 2.96 0.00 0.00 7.13 8.04 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 33 G 8.38 3.56 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 0.00 0.00 0.00 34 I 7.77 3.81 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.97 1.16 0.00 0.00 35 E 8.39 4.00 0.00 2.15 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 2.31 2.57 0.00 36 K 7.62 4.42 0.00 1.65 1.77 0.00 1.94 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 37 N 7.87 4.32 0.00 2.86 2.94 0.00 0.00 6.92 7.21 0.00 0.00 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 K 8.02 4.09 0.00 0.95 1.71 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.27 7.81 39 Y 6.77 4.77 0.00 3.04 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 40 N 8.55 5.21 0.00 2.72 2.71 0.00 0.00 6.95 8.02 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 41 P 0.00 4.53 0.00 2.11 2.10 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 42 S 8.25 4.29 0.00 4.03 4.02 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 43 L 8.28 3.81 0.00 1.71 1.66 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.96 3.93 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 45 L 7.70 3.95 0.00 1.77 1.78 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.26 4.02 1.03 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 0.00 0.00 47 L 8.39 4.01 0.00 1.82 1.74 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.33 4.11 0.00 2.07 2.09 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.71 7.81 49 I 8.35 3.88 2.30 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 1.07 0.00 0.00 50 A 8.41 4.08 1.47 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 0.00 0.00 0.00 0.00 0.00 51 Y 7.96 3.88 0.00 2.91 2.99 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 52 Y 8.13 4.22 0.00 3.20 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 53 L 8.06 4.32 0.00 1.71 1.71 0.93 0.95 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 54 N 7.92 4.16 0.00 2.84 2.81 0.00 0.00 6.71 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 55 C 7.72 4.77 0.00 3.01 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 56 P 0.00 4.31 0.00 2.22 2.06 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 57 L 8.76 4.07 0.00 1.77 1.76 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.01 4.81 0.00 2.05 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 0.00 2.41 2.37 0.00 59 D 8.13 4.52 0.00 2.87 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 60 I 8.20 4.05 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.19 0.00 0.00 61 F 8.06 5.37 0.00 3.04 2.95 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 62 Q 9.59 4.99 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 63 W 8.92 5.46 0.00 3.27 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 64 Q 7.21 3.80 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 1.87 2.08 0.00 65 P 0.00 3.86 0.00 2.11 2.09 0.00 3.41 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00