NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3079 8.1849 122.4914 55.0421 42.4117 175.8297 2 E 4.5584 8.2242 125.7520 54.3697 33.9757 173.6152 3 C 5.2723 9.6459 124.8480 55.2418 48.1245 172.1614 4 H 5.2792 8.6008 121.2372 54.6419 31.0265 174.6639 5 N 4.7144 8.8049 118.3295 51.6897 40.4888 174.0889 6 Q 4.9010 8.0483 129.0735 53.4663 27.8485 175.7657 7 Q 3.7691 8.0655 115.6711 57.2233 29.4788 177.9189 8 S 3.5483 9.0501 114.3270 60.4993 61.7669 174.5330 9 S 3.2867 9.3211 115.6600 57.1295 65.2573 177.0700 10 Q 2.9764 9.4805 114.3191 56.3193 29.5380 174.9361 11 T 4.6196 8.2560 114.2740 61.7122 73.2940 171.8662 12 P 4.4758 0.0000 0.0000 62.6465 32.5905 175.3890 13 T 4.9354 8.2926 113.2534 59.9682 72.4568 172.2876 14 T 4.7087 8.3511 111.3706 60.7771 70.9955 173.9127 15 T 4.3653 8.8520 122.4346 60.6166 69.7430 173.6560 16 G 4.0455 8.6877 116.7319 45.6825 0.0000 172.0819 17 C 4.9056 8.2022 117.2173 55.7074 40.7412 172.8561 18 S 4.3576 8.3606 115.0410 59.4471 66.0431 176.3519 19 G 3.7293 9.5894 107.4158 47.1323 0.0000 174.0098 20 G 3.9304 9.4235 104.5007 45.2662 0.0000 174.2390 21 E 4.6212 7.4716 114.7153 54.8967 33.8340 177.0212 22 T 4.6902 8.1383 118.8994 60.6023 67.9934 173.2279 23 N 5.0561 7.7871 119.3865 52.1414 43.5465 176.1519 24 C 5.7183 9.0120 120.9380 55.1648 43.2945 172.1744 25 Y 5.4708 8.3762 121.1186 56.2764 42.8924 174.2313 26 K 4.8940 7.6507 122.5647 54.0560 34.2520 174.8940 27 K 4.4774 8.1904 123.4655 54.9070 35.7557 175.4065 28 R 4.1684 7.3548 120.2518 55.2575 34.0900 173.3883 29 W 5.3869 8.1886 119.5010 55.6756 31.9620 173.8267 30 R 4.8989 8.7840 117.6601 54.7676 30.9020 173.5722 31 D 4.8221 8.3088 120.5736 51.7305 44.6322 173.4374 32 H 3.9185 8.9090 119.9481 57.2039 29.6199 175.0408 33 R 3.8888 8.4108 128.7915 56.2461 27.7515 177.1755 34 G 4.1374 7.3709 98.9164 44.7436 0.0000 172.2113 35 Y 4.9309 8.1828 117.1290 55.4584 39.8725 175.1039 36 R 4.9123 9.0925 122.6784 55.1409 35.5299 173.9480 37 T 4.8333 8.2554 108.8443 60.8010 71.6861 172.7292 38 E 4.7174 8.9173 125.0512 54.7701 33.5291 174.5350 39 R 5.5807 7.9002 121.9290 55.5436 29.0208 173.7011 40 G 3.9244 8.7086 111.2472 46.7855 0.0000 171.9820 41 C 6.1407 9.3086 113.3524 53.1014 44.4286 174.5628 42 G 3.6654 8.0546 109.4291 48.7241 0.0000 171.6763 43 C 5.1831 7.3690 128.4642 57.1079 43.8053 173.4401 44 P 4.3390 0.0000 0.0000 63.4554 30.3895 175.6150 45 S 5.8789 7.5368 132.1000 58.4377 63.1544 175.7685 46 V 4.9177 7.4893 124.4297 60.0670 35.7365 176.9929 47 K 4.3710 7.9540 125.9254 55.8783 36.6692 178.5865 48 N 4.7399 9.1609 117.3181 54.4620 41.3602 172.1981 49 G 4.2506 9.2879 114.3909 45.9776 0.0000 173.4299 50 I 4.2334 7.5388 111.7520 60.4668 39.3885 174.4940 51 E 4.7830 8.7948 122.8889 54.3606 31.6529 174.8726 52 I 4.7546 8.1251 119.2601 59.5473 41.2280 174.5551 53 N 4.7254 8.1575 122.1558 52.6378 42.8457 172.5153 54 C 5.5088 8.9110 124.5484 55.5651 45.7217 172.9985 55 C 5.1895 9.0451 124.0661 55.4562 47.5648 174.3274 56 T 4.6931 8.0937 111.1023 60.5916 68.0545 173.7162 57 T 4.3615 7.9367 108.2284 62.8685 69.5051 173.0227 58 D 3.9794 8.9885 124.3946 56.3503 39.0846 173.3641 59 R 3.6539 8.4302 125.4829 57.3379 27.8731 175.0559 60 C 5.0190 7.8522 114.2392 56.3203 44.8227 173.1618 61 N 4.8874 8.1680 112.6939 52.1772 37.4760 174.2886 62 N 4.5013 8.0731 121.7606 54.2702 38.8723 174.9743 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 L 8.18 4.31 0.00 1.63 1.70 1.00 0.64 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 2 E 8.22 4.56 0.00 1.96 1.80 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 2.31 2.33 0.00 3 C 9.65 5.27 0.00 2.96 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 4 H 8.60 5.28 0.00 3.16 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.80 4.71 0.00 2.78 2.67 0.00 0.00 7.63 6.26 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 6 Q 8.05 4.90 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 7 Q 8.07 3.77 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 8 S 9.05 3.55 0.00 3.98 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 9 S 9.32 3.29 0.00 4.09 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 10 Q 9.48 2.98 0.00 2.37 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 11 T 8.26 4.62 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 1.21 0.00 0.00 12 P 0.00 4.48 0.00 2.17 2.06 0.00 3.70 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 1.98 1.95 0.00 13 T 8.29 4.94 4.22 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 1.20 0.00 0.00 14 T 8.35 4.71 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 0.87 0.00 0.00 15 T 8.85 4.37 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 1.23 0.00 0.00 16 G 8.69 4.05 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 0.00 0.00 0.00 17 C 8.20 4.91 0.00 2.97 3.14 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 0.00 0.00 0.00 18 S 8.36 4.36 0.00 3.82 3.73 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 19 G 9.59 3.73 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 0.00 0.00 0.00 20 G 9.42 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 21 E 7.47 4.62 0.00 2.17 1.82 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 2.23 2.23 0.00 22 T 8.14 4.69 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 1.21 0.00 0.00 23 N 7.79 5.06 0.00 2.62 2.86 0.00 0.00 6.90 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 24 C 9.01 5.72 0.00 3.14 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 25 Y 8.38 5.47 0.00 2.94 2.80 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 26 K 7.65 4.89 0.00 1.65 1.41 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.24 7.81 27 K 8.19 4.48 0.00 0.79 1.61 0.00 1.71 0.00 0.00 2.15 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.33 7.81 28 R 7.35 4.17 0.00 1.55 1.42 0.00 3.09 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 29 W 8.19 5.39 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.78 4.90 0.00 1.96 2.03 0.00 3.02 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 31 D 8.31 4.82 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.91 3.92 0.00 3.18 3.30 0.00 5.94 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.41 3.89 0.00 2.00 1.98 0.00 3.29 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 34 G 7.37 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.18 4.93 0.00 3.22 3.04 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 36 R 9.09 4.91 0.00 2.23 1.93 0.00 3.29 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 37 T 8.26 4.83 4.10 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 1.23 0.00 0.00 38 E 8.92 4.72 0.00 2.11 1.85 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 2.29 2.30 0.00 39 R 7.90 5.58 0.00 1.74 1.76 0.00 2.73 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 40 G 8.71 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 0.00 0.00 0.00 41 C 9.31 6.14 0.00 2.95 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 42 G 8.05 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.37 5.18 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.15 2.02 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 45 S 7.54 5.88 0.00 3.96 3.79 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 0.00 0.00 0.00 46 V 7.49 4.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 47 K 7.95 4.37 0.00 1.76 0.97 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.48 7.81 48 N 9.16 4.74 0.00 2.73 2.71 0.00 0.00 7.00 7.67 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 49 G 9.29 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 50 I 7.54 4.23 2.34 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 1.20 0.00 0.00 51 E 8.79 4.78 0.00 1.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 52 I 8.13 4.75 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 1.04 0.00 0.00 53 N 8.16 4.73 0.00 2.54 2.61 0.00 0.00 6.39 7.76 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 54 C 8.91 5.51 0.00 3.29 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 55 C 9.05 5.19 0.00 3.01 2.84 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 56 T 8.09 4.69 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 1.33 0.00 0.00 57 T 7.94 4.36 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 1.21 0.00 0.00 58 D 8.99 3.98 0.00 2.82 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 59 R 8.43 3.65 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 60 C 7.85 5.02 0.00 2.90 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 61 N 8.17 4.89 0.00 2.82 2.84 0.00 0.00 6.21 8.05 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 62 N 8.07 4.50 0.00 2.70 2.73 0.00 0.00 6.94 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00