NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.2705 8.3049 120.3495 55.4147 34.1924 177.2930 5 T 3.2283 7.7793 113.8778 61.2455 67.6654 170.0995 6 T 3.9509 8.5861 111.9990 63.0650 70.0830 173.8140 7 S 4.6778 7.9650 118.0635 57.4392 61.9615 173.2276 8 S 4.2346 7.6323 121.9354 55.8515 67.2877 173.3732 9 R 3.9633 8.1137 127.6715 55.2970 31.0357 177.6449 10 Y 4.0065 8.3548 118.9282 57.6751 38.6489 175.3981 11 K 3.9970 7.6253 120.2926 57.3122 33.1201 176.1371 12 T 4.5744 8.1744 112.5831 62.7153 69.2191 174.9268 13 E 4.7379 8.2365 120.5329 57.0567 32.1694 174.8144 14 L 4.1969 7.8705 117.6912 55.3756 42.9490 175.9061 15 C 4.4597 8.4634 121.9008 59.3316 31.1602 173.6066 16 R 3.9051 8.4179 128.5598 57.5764 28.4700 178.8871 17 T 3.9018 9.2960 126.6972 65.4121 69.0145 174.6840 18 Y 4.0348 8.8157 119.3359 61.4225 37.8406 178.6366 19 S 4.3409 7.5498 113.4021 60.8687 63.0831 174.4253 20 E 4.4315 7.9317 120.5998 56.2686 29.5700 176.1006 21 S 3.8917 8.4919 108.3860 58.1430 61.1408 171.4039 22 G 3.4514 7.8857 107.7851 46.2343 0.0000 173.9515 23 R 3.9927 7.3454 117.6142 56.1456 32.9991 174.3881 24 C 3.6341 7.0025 121.4067 59.2962 24.4621 173.7361 25 R 3.9626 8.2799 122.7334 58.5845 30.5104 175.9609 26 Y 5.1738 7.9234 115.2652 57.0512 38.7825 175.7018 27 G 4.2280 8.2264 106.9313 47.1635 0.0000 173.5515 28 A 3.9337 9.0324 127.1935 52.2959 17.4742 177.8698 29 K 4.6128 8.9387 115.9891 55.8038 32.9651 175.1499 30 C 4.8561 8.2024 112.2318 57.6584 30.4736 173.2590 31 Q 4.4115 8.8071 119.7390 55.5223 30.7010 174.8175 32 F 4.7389 8.5487 115.9903 57.3050 47.7279 173.2334 33 A 4.6981 8.1819 135.0000 53.7156 18.9965 176.6872 34 H 4.1500 8.2337 125.1311 55.6367 35.0535 174.2178 35 G 3.9054 6.4957 113.4546 47.1329 0.0000 173.8195 36 L 3.7982 8.5105 124.9259 53.4550 42.6629 175.8429 37 G 4.0604 7.8140 109.2039 46.4636 0.0000 172.2948 38 E 4.8072 7.6572 127.0676 55.8573 31.4868 178.3503 39 L 4.0090 8.0478 121.2722 57.7156 41.9506 180.0722 40 R 4.7710 8.2903 113.6207 55.6943 29.8672 177.4283 41 Q 4.4926 7.5741 112.5734 57.1367 32.0245 174.5563 42 A 4.5220 7.4936 128.2851 52.5316 21.4038 176.5253 43 N 4.5034 8.0707 119.1488 53.8671 38.9526 174.5143 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 4 M 8.30 4.27 0.00 2.00 2.16 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 2.48 2.57 0.00 5 T 7.78 3.23 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 1.22 0.00 0.00 6 T 8.59 3.95 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 1.24 0.00 0.00 7 S 7.97 4.68 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 8 S 7.63 4.23 0.00 3.80 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 9 R 8.11 3.96 0.00 1.98 1.87 0.00 3.46 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 10 Y 8.35 4.01 0.00 2.91 2.48 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 0.00 0.00 0.00 0.00 11 K 7.63 4.00 0.00 1.62 1.71 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.54 7.81 12 T 8.17 4.57 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 1.20 0.00 0.00 13 E 8.24 4.74 0.00 2.14 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 2.36 2.49 0.00 14 L 7.87 4.20 0.00 1.50 1.48 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.46 4.46 0.00 2.81 2.87 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 16 R 8.42 3.91 0.00 1.84 1.62 0.00 3.15 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 17 T 9.30 3.90 4.32 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 1.42 0.00 0.00 18 Y 8.82 4.03 0.00 3.11 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 19 S 7.55 4.34 0.00 3.99 3.99 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 20 E 7.93 4.43 0.00 2.10 1.93 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 2.26 2.24 0.00 21 S 8.49 3.89 0.00 4.04 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 22 G 7.89 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.35 3.99 0.00 1.06 0.66 0.00 3.51 0.00 0.00 3.21 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 24 C 7.00 3.63 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 25 R 8.28 3.96 0.00 1.79 2.09 0.00 3.18 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 26 Y 7.92 5.17 0.00 3.13 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 27 G 8.23 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 9.03 3.93 1.44 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 0.00 0.00 29 K 8.94 4.61 0.00 1.61 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.34 7.81 30 C 8.20 4.86 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.41 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.31 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 32 F 8.55 4.74 0.00 3.12 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 33 A 8.18 4.70 1.11 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 0.00 0.00 34 H 8.23 4.15 0.00 2.97 1.86 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 6.50 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 36 L 8.51 3.80 0.00 1.58 1.56 0.93 1.01 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 37 G 7.81 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.66 4.81 0.00 1.98 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 2.40 2.30 0.00 39 L 8.05 4.01 0.00 1.84 1.78 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.29 4.77 0.00 1.84 2.02 0.00 3.11 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 41 Q 7.57 4.49 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 42 A 7.49 4.52 1.25 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 43 N 8.07 4.50 0.00 2.65 2.76 0.00 0.00 7.03 7.68 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