NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2402 8.3149 120.1270 56.5043 34.6060 176.3905 2 S 4.3824 7.4922 113.7651 55.3606 64.2022 173.0979 3 P 4.3402 0.0000 0.0000 65.8475 32.0153 177.8683 4 E 3.9130 8.1723 118.6269 59.1510 29.4014 178.4224 5 E 3.9684 8.1541 117.8265 59.4603 29.6711 178.8519 6 L 4.2989 7.7277 118.4241 58.2678 41.8301 179.0875 7 K 4.0809 8.7701 119.3552 60.1779 31.9445 178.6171 8 G 3.8163 8.6552 105.4843 47.8768 0.0000 175.2234 9 I 3.8960 8.8138 123.0715 64.3373 37.1262 177.8197 10 F 3.9614 8.7925 121.5534 61.5553 38.8316 176.9993 11 E 3.9479 8.5069 117.2505 59.5568 29.1772 179.1387 12 K 3.6577 8.6383 118.7605 59.6722 32.3687 177.3091 13 Y 4.0956 7.8432 115.4541 59.9342 38.4275 177.7563 14 A 4.0570 8.5140 123.1969 54.2365 18.0754 179.5450 15 A 3.9147 8.8140 119.9403 55.3684 18.4543 179.3231 16 K 3.8289 7.5165 115.6097 57.9205 32.4237 176.4126 17 E 4.3830 7.3309 115.2937 55.4298 31.0828 177.8609 18 G 3.8399 8.6637 113.6764 44.5414 0.0000 171.7664 19 D 4.5192 8.3261 118.1783 53.6993 40.9347 175.9706 20 P 4.4843 0.0000 0.0000 64.5671 31.7388 176.6002 21 N 5.2771 8.1773 115.9384 53.0923 39.2389 173.2148 22 Q 5.2783 7.9874 118.2600 54.1417 32.1368 174.8875 23 L 4.7307 9.8860 123.0954 53.1287 45.3592 175.3547 24 S 5.3018 8.1370 114.1057 55.0721 67.2954 174.9915 25 K 3.1893 8.6993 123.2187 59.9993 31.3440 178.7780 26 E 3.9894 7.8606 116.9657 59.8363 29.6399 178.8428 27 E 4.0852 7.9746 118.2683 58.6809 29.5989 178.4030 28 L 3.8215 9.2143 120.9095 58.4522 41.9679 179.0272 29 K 4.0449 8.1329 118.1841 59.8751 32.2442 177.7711 30 L 4.1663 7.9483 118.6336 58.3296 41.6043 178.7773 31 L 3.4890 8.1734 118.9004 58.7239 41.7992 178.7258 32 L 3.5119 9.0833 119.8560 57.7290 41.4396 179.7124 33 Q 3.9132 8.0734 119.3704 59.2687 29.1913 177.7236 34 T 4.1338 7.6202 114.6150 66.4262 69.1347 175.4344 35 E 3.6025 8.4504 120.7510 58.8326 29.4556 177.9809 36 F 4.8332 7.5301 124.5281 55.8209 40.4457 173.2056 37 P 5.2223 0.0000 0.0000 64.0926 32.2362 179.3053 38 S 4.2931 8.1894 115.7800 61.3725 62.6128 176.0562 39 L 4.0819 7.5788 119.7765 57.2099 41.3079 179.2169 40 L 4.2088 7.3368 118.0098 57.5310 41.7406 179.1676 41 K 4.2319 8.0368 117.2611 58.7962 32.7409 177.1281 42 G 3.9323 7.5165 108.7569 45.5385 0.0000 173.7566 43 M 4.1435 8.4879 117.5216 57.0693 31.9029 177.2374 44 S 4.5317 7.3146 114.4128 57.0385 62.4532 174.6374 45 T 4.2780 8.0080 116.8046 60.7182 70.9865 174.2006 46 L 4.0454 8.5572 121.2952 58.8245 41.6800 177.9903 47 D 4.4930 8.1538 116.6239 57.7574 41.0840 178.4181 48 E 3.9908 7.8112 117.7447 59.4946 29.0749 179.1515 49 L 4.1968 8.7196 121.0664 58.0964 42.2213 178.3455 50 F 4.4774 9.0859 121.2047 61.6028 39.0203 176.9397 51 E 3.7835 8.8129 117.8760 59.1954 29.6048 177.8004 52 E 4.0640 8.6871 118.9277 59.4406 29.7608 178.4428 53 L 4.3674 8.8273 118.0181 57.1263 42.2260 178.6297 54 D 4.3973 8.2597 124.1843 54.1441 41.0834 175.9713 55 K 4.6054 9.4575 132.8337 54.1326 31.9239 173.5056 56 N 4.8569 7.4849 115.6480 52.5557 40.5859 175.7138 57 G 4.0428 8.0813 107.2686 43.1337 0.0000 171.0548 58 D 4.6438 8.2330 122.6859 55.0537 46.9666 177.7791 59 G 3.8635 8.8269 109.4563 43.0015 0.0000 171.4756 60 E 4.8318 9.2307 121.5484 56.0722 33.8984 175.5363 61 V 4.4698 7.9504 125.8045 62.1405 34.2018 174.2568 62 S 5.3682 8.3764 116.0470 56.2587 66.0349 174.7331 63 F 3.8203 9.7894 122.5574 62.1219 38.4139 176.7307 64 E 4.3065 8.5445 117.3112 59.7471 29.1122 179.0096 65 E 3.7440 8.1578 118.8114 59.1840 29.7551 178.9836 66 F 4.4697 8.8783 121.6490 61.2457 39.5745 177.1293 67 Q 2.9338 8.6200 118.8297 58.9519 27.9141 179.5780 68 V 3.6075 7.1322 118.8683 65.6350 31.3773 177.7946 69 L 3.8773 8.5261 121.2777 57.6097 41.8921 178.7400 70 V 3.2785 6.8925 117.6827 65.8908 31.2964 177.5064 71 K 3.6790 8.1972 119.4524 59.7336 31.7337 178.8159 72 K 3.6964 7.2725 115.9826 58.9466 31.9295 179.3799 73 I 3.6213 7.5230 120.2151 64.1772 37.1624 178.0845 74 S 4.1466 8.4410 113.5374 61.3986 62.4717 173.5424 75 Q 4.0701 8.4295 126.2215 56.2580 28.7850 175.3466 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 K 8.31 4.24 0.00 1.74 1.91 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 2 S 7.49 4.38 0.00 3.98 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 3 P 0.00 4.34 0.00 2.30 2.33 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 4 E 8.17 3.91 0.00 2.04 2.02 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 2.40 2.37 0.00 5 E 8.15 3.97 0.00 2.07 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 2.43 2.42 0.00 6 L 7.73 4.30 0.00 2.03 1.84 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.77 4.08 0.00 2.09 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.55 1.73 7.81 8 G 8.66 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 0.00 0.00 0.00 9 I 8.81 3.90 2.07 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 1.47 1.05 0.75 0.00 0.00 10 F 8.79 3.96 0.00 3.14 3.47 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 11 E 8.51 3.95 0.00 2.25 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 0.00 2.69 2.50 0.00 12 K 8.64 3.66 0.00 1.98 2.18 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.71 7.81 13 Y 7.84 4.10 0.00 3.16 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 14 A 8.51 4.06 0.87 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 15 A 8.81 3.91 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 16 K 7.52 3.83 0.00 1.90 1.82 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.36 7.81 17 E 7.33 4.38 0.00 1.98 1.86 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 2.22 2.18 0.00 18 G 8.66 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.33 4.52 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.40 2.25 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 21 N 8.18 5.28 0.00 2.93 3.00 0.00 0.00 6.90 7.48 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 22 Q 7.99 5.28 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 23 L 9.89 4.73 0.00 1.57 1.51 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.14 5.30 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.19 0.00 0.79 1.02 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.71 7.81 26 E 7.86 3.99 0.00 1.87 1.96 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 2.26 2.42 0.00 27 E 7.97 4.09 0.00 2.11 1.96 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 2.36 2.27 0.00 28 L 9.21 3.82 0.00 1.70 1.72 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.13 4.04 0.00 1.79 2.04 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 30 L 7.95 4.17 0.00 2.19 1.94 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.17 3.49 0.00 1.42 1.64 -0.26 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.08 3.51 0.00 1.84 1.81 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.07 3.91 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 34 T 7.62 4.13 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 1.18 0.00 0.00 35 E 8.45 3.60 0.00 1.71 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 2.42 2.10 0.00 36 F 7.53 4.83 0.00 3.09 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 37 P 0.00 5.22 0.00 2.26 2.49 0.00 3.97 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 38 S 8.19 4.29 0.00 3.99 3.97 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 0.00 0.00 0.00 39 L 7.58 4.08 0.00 1.85 1.77 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.34 4.21 0.00 1.87 1.75 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.04 4.23 0.00 1.91 1.96 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 42 G 7.52 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 0.00 0.00 0.00 43 M 8.49 4.14 0.00 2.02 2.13 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 2.60 2.56 0.00 44 S 7.31 4.53 0.00 3.90 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 45 T 8.01 4.28 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 1.23 0.00 0.00 46 L 8.56 4.05 0.00 1.78 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.15 4.49 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 3.99 0.00 2.21 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 2.36 2.35 0.00 49 L 8.72 4.20 0.00 2.02 1.79 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.09 4.48 0.00 3.16 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 51 E 8.81 3.78 0.00 2.23 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 2.31 0.00 52 E 8.69 4.06 0.00 2.04 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 2.33 2.37 0.00 53 L 8.83 4.37 0.00 1.75 1.82 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.26 4.40 0.00 2.38 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 55 K 9.46 4.61 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.32 7.81 56 N 7.48 4.86 0.00 2.86 2.75 0.00 0.00 6.16 7.16 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 57 G 8.08 4.04 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 0.00 58 D 8.23 4.64 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.83 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 0.00 0.00 0.00 60 E 9.23 4.83 0.00 2.03 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 2.10 2.31 0.00 61 V 7.95 4.47 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 1.20 0.00 0.00 1.06 0.00 0.00 62 S 8.38 5.37 0.00 4.06 4.09 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 63 F 9.79 3.82 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 64 E 8.54 4.31 0.00 2.12 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 2.57 2.46 0.00 65 E 8.16 3.74 0.00 2.02 2.21 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 0.00 2.34 2.41 0.00 66 F 8.88 4.47 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 67 Q 8.62 2.93 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.40 0.00 0.00 0.00 0.00 0.00 1.27 1.82 0.00 68 V 7.13 3.61 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 0.89 0.00 0.00 0.96 0.00 0.00 69 L 8.53 3.88 0.00 1.54 1.31 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 V 6.89 3.28 1.73 0.00 0.00 0.00 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 0.40 0.00 0.00 71 K 8.20 3.68 0.00 1.84 1.70 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 72 K 7.27 3.70 0.00 1.84 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.54 7.81 73 I 7.52 3.62 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.30 0.60 0.00 0.00 74 S 8.44 4.15 0.00 3.75 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 75 Q 8.43 4.07 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.29 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00