NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6943 8.4249 118.1250 53.5876 39.2783 173.5859 2 S 4.7373 8.3552 118.9303 57.4371 64.0274 168.8555 3 V 5.1058 7.3345 112.5061 59.8842 36.0634 174.4357 4 R 4.6335 8.4487 117.1193 55.3654 33.1242 173.3433 5 D 4.8984 8.3449 120.3576 53.4282 42.1944 175.6086 6 A 2.7956 6.7263 123.4036 50.7349 23.8181 174.5201 7 Y 4.8380 7.9466 116.8071 57.3796 39.0294 176.0145 8 I 4.2500 8.4649 124.6732 61.1229 39.4199 174.2646 9 A 5.2258 8.6043 129.0350 50.2837 22.5776 175.8809 10 D 4.7850 8.2591 118.9684 52.3607 41.6412 177.2464 11 S 4.4184 8.5620 112.8198 59.9780 63.2332 173.9429 12 H 4.5465 8.7029 118.2265 55.1617 28.6844 173.9634 13 N 4.2535 7.7929 117.4898 55.1662 37.5964 172.7158 14 C 4.9530 7.8503 112.9136 54.5068 43.1267 174.5447 15 V 4.4125 7.8792 116.7174 61.1760 32.6125 175.1914 16 Y 4.4690 8.6251 120.0628 56.7065 39.0028 175.6129 17 E 4.7139 8.8643 124.3347 56.6882 30.6122 175.3781 18 C 4.7091 8.4170 114.0029 54.2647 44.4435 173.6337 19 A 4.6369 8.3887 122.4969 52.1029 21.1094 176.8141 20 R 4.9931 7.6051 114.0307 53.6227 34.2013 176.0299 21 N 4.6091 9.1597 119.1670 56.5525 38.5508 177.3897 22 E 3.9625 8.3132 120.3112 59.2015 29.7542 177.8678 23 Y 4.1240 7.7395 118.7439 61.1794 38.7772 177.8110 24 C 4.0684 8.2042 116.7447 59.7370 41.1896 175.3766 25 N 4.2770 8.3891 118.9502 56.5522 38.5154 176.4566 26 D 4.1850 8.1886 119.5257 57.2221 41.4974 177.8758 27 L 3.6454 7.5472 120.7390 58.2430 41.9836 178.3807 28 C 4.2030 8.2781 116.9444 60.2579 41.3019 176.2950 29 T 4.0659 8.2724 113.1014 63.9005 68.2033 176.5496 30 K 4.0975 8.0242 120.3488 58.7220 32.6821 177.2564 31 N 4.6068 7.2082 115.8089 53.0904 38.4475 175.9067 32 G 3.8539 8.0813 107.1049 44.7601 0.0000 174.0300 33 A 4.7124 7.6974 121.7427 50.8272 19.4647 178.7786 34 K 4.0448 8.8843 121.4253 59.5376 32.8888 176.6184 35 S 4.6649 7.7887 112.2298 58.4492 65.8887 174.4093 36 G 4.4728 9.3595 106.7029 46.1482 0.0000 171.8165 37 Y 5.0344 8.1978 117.4925 55.7920 42.0415 172.7933 38 C 4.5686 9.2813 121.2729 55.9851 45.7414 172.6003 39 Q 4.7193 8.7707 126.0204 54.7251 29.5211 176.5410 40 W 4.6209 9.2810 123.2377 57.1420 30.1968 176.6662 41 V 4.6102 7.6923 110.5697 58.9973 35.2994 174.7113 42 G 4.0155 8.3232 109.7696 45.5260 0.0000 172.7246 43 K 3.7606 8.8218 119.5713 59.0484 31.9742 177.0911 44 Y 4.6595 7.7321 114.0812 57.1847 39.0371 177.6641 45 G 3.8962 8.1000 108.8999 45.1776 0.0000 173.1551 46 N 5.1893 8.5307 119.5900 53.1522 39.5029 175.9688 47 G 4.3823 8.2457 113.2684 46.2971 0.0000 172.1974 48 C 4.9474 8.5930 118.4438 56.3502 42.7875 172.7442 49 W 4.8255 8.7543 133.5012 55.6171 32.8221 173.6680 50 C 5.1997 8.2462 124.2055 55.1320 43.5777 172.7430 51 I 4.5595 8.5175 123.4422 59.8492 38.7918 175.9630 52 E 3.6748 8.9911 128.1088 57.2273 27.3959 174.2669 53 L 4.4503 7.9606 121.6013 53.8562 43.8343 175.3213 54 P 4.9100 0.0000 0.0000 62.5520 32.2724 176.3275 55 D 4.7079 8.8009 121.4607 54.0277 40.1144 177.2264 56 N 4.6194 8.2210 115.6599 53.4227 38.1313 174.7472 57 V 4.3261 7.3137 119.4847 60.4026 33.5623 173.4971 58 P 4.6431 0.0000 0.0000 62.5385 32.5290 175.1455 59 I 4.9605 7.9747 114.8600 58.5317 40.8607 174.8009 60 K 4.1696 8.7274 125.3569 56.5177 32.3576 176.5342 61 V 4.5404 8.4708 120.0127 58.5879 35.0516 175.5026 62 G 3.7228 8.5718 109.7368 46.9782 0.0000 172.1562 63 G 3.7514 8.4573 107.6629 43.4101 0.0000 173.1379 64 K 4.2743 8.1685 118.7155 55.4396 34.0771 176.7433 65 C 4.6832 8.6823 119.5894 55.4191 43.6476 173.0135 66 H 4.5287 8.6179 122.7459 55.7041 28.1350 173.3656 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 N 8.42 4.69 0.00 2.73 3.03 0.00 0.00 6.91 6.68 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 2 S 8.36 4.74 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 3 V 7.33 5.11 1.94 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 0.71 0.00 0.00 0.91 0.00 0.00 4 R 8.45 4.63 0.00 1.78 1.93 0.00 2.88 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 5 D 8.34 4.90 0.00 2.67 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 6 A 6.73 2.80 0.95 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 0.00 0.00 7 Y 7.95 4.84 0.00 2.89 2.92 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 8 I 8.46 4.25 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.79 0.00 0.00 9 A 8.60 5.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.79 0.00 2.85 2.52 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 0.00 0.00 0.00 0.00 11 S 8.56 4.42 0.00 3.93 3.98 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 12 H 8.70 4.55 0.00 3.30 3.24 0.00 5.92 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.79 4.25 0.00 2.83 2.83 0.00 0.00 6.98 7.54 0.00 0.00 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 C 7.85 4.95 0.00 3.03 2.75 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 0.00 0.00 0.00 15 V 7.88 4.41 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 0.46 0.00 0.00 0.89 0.00 0.00 16 Y 8.63 4.47 0.00 3.01 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 17 E 8.86 4.71 0.00 1.86 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 2.34 2.32 0.00 18 C 8.42 4.71 0.00 2.99 3.15 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 0.00 0.00 0.00 19 A 8.39 4.64 1.32 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 0.00 0.00 0.00 20 R 7.61 4.99 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 21 N 9.16 4.61 0.00 2.89 3.02 0.00 0.00 6.73 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 22 E 8.31 3.96 0.00 2.14 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 2.42 2.48 0.00 23 Y 7.74 4.12 0.00 3.20 3.19 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 0.00 0.00 0.00 0.00 24 C 8.20 4.07 0.00 3.11 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 N 8.39 4.28 0.00 2.96 2.82 0.00 0.00 6.82 8.45 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 26 D 8.19 4.19 0.00 2.78 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 27 L 7.55 3.65 0.00 1.19 1.36 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.28 4.20 0.00 3.05 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 29 T 8.27 4.07 4.20 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 0.00 0.00 0.00 1.28 0.00 0.00 30 K 8.02 4.10 0.00 1.88 1.98 0.00 1.49 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.38 7.81 31 N 7.21 4.61 0.00 2.83 2.78 0.00 0.00 7.26 7.53 0.00 0.00 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 G 8.08 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 0.00 0.00 0.00 33 A 7.70 4.71 1.24 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 34 K 8.88 4.04 0.00 1.77 1.85 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 35 S 7.79 4.66 0.00 4.04 3.95 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 36 G 9.36 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 0.00 0.00 0.00 0.00 37 Y 8.20 5.03 0.00 3.28 3.07 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 0.00 0.00 0.00 38 C 9.28 4.57 0.00 2.86 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.77 4.72 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.07 0.00 40 W 9.28 4.62 0.00 3.46 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 4.61 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 0.78 0.00 0.00 1.01 0.00 0.00 42 G 8.32 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 0.00 0.00 0.00 43 K 8.82 3.76 0.00 1.73 1.89 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.59 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.15 7.81 44 Y 7.73 4.66 0.00 2.04 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 46 N 8.53 5.19 0.00 2.81 2.81 0.00 0.00 7.19 7.98 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 47 G 8.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.59 4.95 0.00 2.92 2.91 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 49 W 8.75 4.83 0.00 2.77 1.79 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 50 C 8.25 5.20 0.00 2.55 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 51 I 8.52 4.56 1.91 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.97 0.00 0.00 52 E 8.99 3.67 0.00 2.14 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 2.22 2.23 0.00 53 L 7.96 4.45 0.00 1.59 1.50 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.91 0.00 2.26 1.92 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 55 D 8.80 4.71 0.00 2.72 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 56 N 8.22 4.62 0.00 2.83 2.95 0.00 0.00 5.94 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 57 V 7.31 4.33 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 0.77 0.00 0.00 0.89 0.00 0.00 58 P 0.00 4.64 0.00 2.23 1.93 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 59 I 7.97 4.96 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.81 0.00 0.00 60 K 8.73 4.17 0.00 1.50 1.51 0.00 1.50 0.00 0.00 1.29 0.00 0.00 2.25 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.36 7.81 61 V 8.47 4.54 2.09 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 0.80 0.00 0.00 0.97 0.00 0.00 62 G 8.57 3.72 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 0.00 0.00 0.00 63 G 8.46 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.17 4.27 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.46 7.81 65 C 8.68 4.68 0.00 2.83 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 66 H 8.62 4.53 0.00 3.19 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00