NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3717 8.1693 120.6453 54.9627 43.0631 175.5652 6 T 4.6514 8.0785 110.6051 59.1005 71.7107 171.1688 7 E 4.2595 9.6727 122.9833 59.0017 30.6692 178.1140 8 T 4.9935 7.8827 115.0505 61.8740 70.6641 173.7339 9 M 4.8530 9.0726 127.1073 53.0128 34.9355 173.0172 10 P 5.1294 0.0000 0.0000 62.5610 33.0558 175.2520 11 F 5.2537 8.5602 115.5239 55.4996 41.6132 173.3309 12 R 5.2245 8.7173 115.4941 54.8849 32.7786 173.9760 13 M 5.0984 9.3683 119.8612 54.1547 36.1664 173.8334 14 T 5.1786 8.5853 113.9358 60.1449 72.0617 172.6752 15 M 4.8938 9.3874 123.9163 53.8430 35.8568 173.4686 16 E 4.8161 8.5418 125.3290 54.6825 33.3011 174.1621 17 G 3.8350 7.4886 111.6474 45.9541 0.0000 171.8489 18 T 5.3835 8.3680 115.6880 61.6438 71.9304 174.2037 19 V 4.1615 8.8234 125.7085 62.0243 33.6652 175.0497 20 N 4.2294 9.9803 125.0333 54.2695 36.0837 175.4217 21 G 3.8018 8.4611 105.3006 45.5306 0.0000 173.7480 22 H 4.6940 8.1979 118.5297 54.9333 28.9352 174.1728 23 H 5.2757 8.6645 122.5392 55.6400 30.2714 174.5103 24 F 5.2233 8.7251 115.7808 55.8519 41.8466 173.1544 25 K 5.1359 9.2888 118.6512 55.0487 36.3557 175.2594 26 C 5.6954 9.4211 120.6886 58.3070 32.6502 173.0786 27 T 5.1937 8.9106 110.7935 60.4485 72.3292 172.7646 28 G 5.1004 8.9015 108.0131 45.3158 0.0000 172.1546 29 K 5.0384 8.4010 119.1892 55.6435 36.6286 175.6243 30 G 3.5895 7.7798 107.4922 46.1406 0.0000 171.3839 31 E 5.1407 8.3034 116.2722 55.6908 33.4728 174.2198 32 G 4.3412 8.7692 106.8242 46.0753 0.0000 171.7819 33 N 5.6679 8.5040 118.9915 50.7348 38.9931 173.7232 34 P 4.0877 0.0000 0.0000 65.1335 31.5295 177.8380 35 F 4.5535 8.0152 114.6186 58.1675 39.4536 176.1440 36 E 4.2973 8.5076 119.4671 55.5829 30.0442 175.9695 37 G 3.8913 8.2665 106.2537 46.9285 0.0000 173.1836 38 T 4.9125 7.4835 108.5372 59.8109 72.0093 172.5686 39 Q 5.2137 8.2529 118.5546 55.7637 31.3226 172.9042 40 D 5.2231 9.1406 120.1167 53.1984 45.3863 174.3911 41 M 5.1372 8.5720 116.8455 54.2920 34.6506 173.6932 42 K 4.6694 9.0217 119.6747 54.8213 34.8853 175.4365 43 I 5.0315 8.2576 124.1567 59.4259 40.2122 174.3398 44 E 4.5714 9.2598 127.8021 54.2536 32.5678 174.9704 45 V 4.5320 8.4615 127.2731 62.3615 31.1547 175.1828 46 I 4.2895 8.5797 122.5735 62.0130 38.7710 175.9382 47 E 4.5922 7.9131 121.6143 55.5332 33.9058 176.3106 48 G 4.2360 8.6347 110.1010 46.6161 0.0000 173.7384 49 G 3.9109 7.7285 107.7849 43.4578 0.0000 172.2216 50 P 4.2986 0.0000 0.0000 61.6075 32.0954 176.2582 51 L 3.5206 8.4418 121.6971 55.0946 41.7030 175.4815 52 P 4.6932 0.0000 0.0000 62.2995 31.4258 175.2240 53 F 4.8583 6.7107 110.8668 55.2412 40.9801 173.8506 54 A 4.0762 8.6870 124.4676 52.1984 18.5559 178.6153 55 F 4.1056 8.9719 125.2980 61.2066 39.5023 176.6022 56 D 4.4501 8.4165 118.6327 57.5187 40.3586 178.4730 57 I 3.8344 7.4429 111.9853 62.8231 37.8552 177.1572 58 L 4.3183 7.6693 120.3599 54.9216 41.9422 178.3548 59 S 4.0261 7.3540 115.9809 61.9329 62.8404 176.3553 60 T 4.2214 7.8019 105.8809 62.7497 68.5303 174.6445 61 S 4.6249 7.8559 117.1882 58.7109 64.2982 173.9364 62 C 4.3621 7.7784 123.5701 59.9440 27.9282 173.3243 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 L 8.17 4.37 0.00 1.79 1.70 0.78 0.51 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 6 T 8.08 4.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 7 E 9.67 4.26 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 8 T 7.88 4.99 4.27 0.00 0.00 0.00 0.00 0.00 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 9 M 9.07 4.85 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 10 P 0.00 5.13 0.00 2.08 1.98 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 11 F 8.56 5.25 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 5.22 0.00 1.81 1.90 0.00 3.00 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 13 M 9.37 5.10 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 14 T 8.59 5.18 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 1.24 0.00 0.00 15 M 9.39 4.89 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 16 E 8.54 4.82 0.00 1.87 1.64 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 2.01 2.17 0.00 17 G 7.49 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 18 T 8.37 5.38 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 1.09 0.00 0.00 19 V 8.82 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.73 0.00 0.00 20 N 9.98 4.23 0.00 2.86 2.87 0.00 0.00 7.30 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 21 G 8.46 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.69 0.00 3.55 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.66 5.28 0.00 3.15 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.73 5.22 0.00 3.33 3.21 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 0.00 0.00 0.00 25 K 9.29 5.14 0.00 1.71 1.71 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.27 1.37 7.81 26 C 9.42 5.70 0.00 2.99 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 27 T 8.91 5.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 G 8.90 5.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.40 5.04 0.00 1.62 1.83 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 30 G 7.78 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 0.00 0.00 0.00 31 E 8.30 5.14 0.00 2.00 1.89 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 2.13 2.26 0.00 32 G 8.77 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 0.00 0.00 0.00 0.00 33 N 8.50 5.67 0.00 2.85 2.78 0.00 0.00 7.13 7.71 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 34 P 0.00 4.09 0.00 1.01 1.68 0.00 3.82 0.00 0.00 3.83 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 35 F 8.02 4.55 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.51 4.30 0.00 1.99 2.15 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 2.26 2.32 0.00 37 G 8.27 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 0.00 0.00 0.00 38 T 7.48 4.91 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 39 Q 8.25 5.21 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 40 D 9.14 5.22 0.00 2.66 2.56 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 41 M 8.57 5.14 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 42 K 9.02 4.67 0.00 1.66 1.70 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 I 8.26 5.03 1.75 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 1.16 0.00 0.00 44 E 9.26 4.57 0.00 1.96 1.76 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 2.18 2.19 0.00 45 V 8.46 4.53 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 0.98 0.00 0.00 0.92 0.00 0.00 46 I 8.58 4.29 1.90 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 1.36 0.80 0.94 0.00 0.00 47 E 7.91 4.59 0.00 2.03 1.87 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 2.32 2.33 0.00 48 G 8.63 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 0.00 0.00 0.00 0.00 49 G 7.73 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.30 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 51 L 8.44 3.52 0.00 1.39 1.08 0.62 0.28 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 52 P 0.00 4.69 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 53 F 6.71 4.86 0.00 3.07 2.97 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 54 A 8.69 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.11 0.00 3.05 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 56 D 8.42 4.45 0.00 2.75 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 57 I 7.44 3.83 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.46 0.89 0.00 0.00 58 L 7.67 4.32 0.00 0.83 1.47 0.75 0.75 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 59 S 7.35 4.03 0.00 3.96 3.94 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 60 T 7.80 4.22 4.21 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 0.00 0.00 1.19 0.00 0.00 61 S 7.86 4.62 0.00 3.97 3.92 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 62 C 7.78 4.36 0.00 3.13 2.97 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