NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9895 8.3549 109.7363 45.6617 0.0000 172.9507 2 S 4.4715 8.1610 115.0565 55.9164 66.9782 171.9819 3 S 4.7400 8.7031 117.0813 56.1476 64.9211 173.5023 4 G 4.2853 7.8497 117.1815 46.0921 0.0000 171.8723 5 S 4.6094 8.0976 113.0371 57.3450 65.1263 174.5113 6 S 4.6028 8.2187 119.7832 57.2758 65.5253 173.7603 7 G 4.1025 8.0602 110.5014 44.9858 0.0000 172.4821 8 T 4.7234 8.3886 111.1774 59.5036 71.5738 173.6194 9 R 4.5981 8.9837 121.2011 54.6507 34.1821 175.8512 10 G 3.7088 8.0097 107.2271 44.6754 0.0000 173.1413 11 G 4.1340 8.0612 106.0679 45.1096 0.0000 174.3796 12 D 4.3155 8.2781 120.1768 57.1045 41.9491 176.0755 13 S 3.8556 7.6312 110.6712 58.5176 62.7031 172.9615 14 A 4.4920 8.7427 129.4852 53.0782 20.4831 176.6712 15 A 4.6069 7.4499 115.9757 50.6228 22.1677 175.0752 16 A 4.4214 8.0109 122.3066 50.4368 21.8545 174.5162 17 P 4.3271 0.0000 0.0000 61.8166 32.1089 175.6693 18 L 3.9660 8.2880 121.0334 55.8926 41.2440 175.8099 19 D 4.8077 8.0429 124.1658 51.5399 44.9502 173.7614 20 P 4.5314 0.0000 0.0000 61.7586 32.0616 175.2335 21 P 4.5310 0.0000 0.0000 63.4836 31.3466 177.2999 22 K 4.0429 7.6227 119.7510 59.9644 32.4512 177.2704 23 S 4.6258 7.4146 109.4395 57.5057 64.9709 174.6558 24 T 4.5708 8.2686 111.0815 60.3094 71.3626 172.6911 25 A 4.5867 8.2171 125.7521 51.3369 22.6535 174.7264 26 T 4.6100 8.2951 114.2430 62.2177 71.3723 174.1027 27 R 5.1454 8.3395 123.9502 54.3148 35.1586 174.1028 28 C 4.9301 9.0369 121.0192 59.5140 32.4601 173.6703 29 L 4.3082 7.8630 121.6652 55.0098 42.5181 176.6856 30 S 4.5811 8.0295 112.3953 59.9918 64.8761 174.4468 31 C 4.5583 8.0479 110.8623 57.1948 30.0424 172.9477 32 N 4.7507 7.8527 115.5255 53.0973 36.2128 173.8680 33 K 4.2128 7.7123 117.6593 54.8001 33.4540 175.0910 34 K 4.4057 8.5716 125.9242 57.4519 31.5272 176.3082 35 V 4.1875 8.3931 120.0014 60.4369 34.4218 179.6107 36 G 3.8536 7.6600 106.8170 46.6504 0.0000 174.4051 37 V 3.8289 8.8009 120.6417 63.9408 32.0410 177.2987 38 T 3.6537 8.0955 109.7507 64.0256 68.3020 173.8891 39 G 3.9697 7.3726 108.3845 45.3016 0.0000 173.6155 40 F 4.8174 9.3990 120.3849 54.9336 40.6584 175.1950 41 K 4.2595 8.8066 125.2396 56.9580 32.9397 175.1114 42 C 5.0527 8.5906 124.6402 57.0368 34.6793 175.0275 43 R 4.2425 8.8169 121.2866 59.1720 29.6859 177.9690 44 C 4.2636 8.2137 110.7466 59.0060 30.3869 172.7185 45 G 4.1313 8.8290 108.8564 45.9608 0.0000 174.1342 46 S 4.2128 7.9591 114.6210 59.0775 63.5491 172.7438 47 T 4.8359 7.9181 116.4836 62.0466 71.6494 173.7032 48 F 5.1843 9.0202 123.8038 55.7550 43.5364 173.9890 49 C 4.9773 8.6781 115.1324 56.9217 32.1086 174.6052 50 G 3.4941 9.1753 106.0569 47.2575 0.0000 174.1427 51 T 4.4037 7.8050 115.7289 64.4717 69.9497 175.0279 52 H 5.1414 7.9653 116.5581 55.3989 29.5663 175.3898 53 R 3.9413 7.5018 119.5262 59.0984 29.6602 177.0858 54 Y 4.2563 7.2994 115.6312 56.6773 38.9413 174.8064 55 P 3.9389 0.0000 0.0000 65.8105 31.8020 178.3742 56 E 3.9406 8.3237 116.0108 58.9354 29.2582 178.3672 57 S 4.3147 7.6833 114.2952 60.2433 63.1790 173.8665 58 H 4.8053 8.1798 115.6134 53.2311 29.8543 171.9017 59 E 3.8750 9.0214 125.5844 55.9213 28.6667 175.5291 60 C 4.1754 8.3117 122.8366 59.4129 31.9420 173.5391 61 Q 4.0086 8.9289 126.9235 58.8387 28.5505 176.9938 62 F 4.1529 8.1401 119.7007 58.1271 39.4519 174.0410 63 D 3.9054 8.2040 128.3139 54.0948 40.8289 176.4505 64 F 4.1918 8.0919 123.9157 59.2123 39.3173 175.8899 65 K 4.1345 9.8181 124.3425 57.3405 29.7227 175.7632 66 G 4.1464 7.7106 112.9247 45.7842 0.0000 175.4623 67 V 3.5966 7.5495 118.8145 61.5042 31.5960 175.3203 68 A 4.7391 8.2551 123.8418 50.7950 22.1876 175.3167 69 S 4.3937 8.7417 115.9934 59.3545 65.4724 172.9160 70 G 3.5434 8.1296 109.9225 44.7939 0.0000 168.9537 71 P 4.3244 0.0000 0.0000 62.9745 31.8187 177.3219 72 S 4.3706 8.3951 119.9006 57.4386 63.8323 174.4192 73 S 4.3501 8.4939 119.2437 56.9009 61.5325 174.2271 74 G 3.9092 8.6837 115.9621 46.0308 0.0000 171.8168 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 G 8.35 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 0.00 0.00 0.00 2 S 8.16 4.47 0.00 3.89 3.71 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 3 S 8.70 4.74 0.00 3.81 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 4 G 7.85 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.10 4.61 0.00 3.79 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 6 S 8.22 4.60 0.00 3.96 3.77 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 7 G 8.06 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 0.00 0.00 0.00 0.00 8 T 8.39 4.72 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 1.20 0.00 0.00 9 R 8.98 4.60 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 10 G 8.01 3.71 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 0.00 0.00 0.00 11 G 8.06 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.28 4.32 0.00 2.62 2.68 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 13 S 7.63 3.86 0.00 3.85 3.77 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 14 A 8.74 4.49 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 15 A 7.45 4.61 1.16 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 0.00 0.00 16 A 8.01 4.42 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 17 P 0.00 4.33 0.00 2.16 2.03 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.91 0.00 18 L 8.29 3.97 0.00 1.61 1.68 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.04 4.81 0.00 2.74 2.47 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 20 P 0.00 4.53 0.00 2.21 2.19 0.00 3.68 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 2.06 1.94 0.00 21 P 0.00 4.53 0.00 2.19 2.20 0.00 3.77 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 1.94 0.00 22 K 7.62 4.04 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 23 S 7.41 4.63 0.00 3.93 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 24 T 8.27 4.57 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 25 A 8.22 4.59 1.20 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 0.00 0.00 0.00 26 T 8.30 4.61 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 1.23 0.00 0.00 27 R 8.34 5.15 0.00 1.58 1.88 0.00 3.20 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 28 C 9.04 4.93 0.00 3.00 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 L 7.86 4.31 0.00 0.88 0.47 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.03 4.58 0.00 3.84 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 31 C 8.05 4.56 0.00 3.13 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 32 N 7.85 4.75 0.00 2.77 2.86 0.00 0.00 7.16 7.58 0.00 0.00 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 K 7.71 4.21 0.00 1.82 1.70 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 34 K 8.57 4.41 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 35 V 8.39 4.19 2.16 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 0.82 0.00 0.00 0.92 0.00 0.00 36 G 7.66 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 37 V 8.80 3.83 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 0.72 0.00 0.00 0.87 0.00 0.00 38 T 8.10 3.65 4.07 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 1.15 0.00 0.00 39 G 7.37 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 0.00 0.00 0.00 40 F 9.40 4.82 0.00 2.95 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 41 K 8.81 4.26 0.00 1.78 1.77 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.57 7.81 42 C 8.59 5.05 0.00 3.02 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 43 R 8.82 4.24 0.00 2.41 2.36 0.00 3.50 0.00 0.00 3.62 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 44 C 8.21 4.26 0.00 3.22 3.25 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 45 G 8.83 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.96 4.21 0.00 4.02 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.84 4.16 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 1.22 0.00 0.00 48 F 9.02 5.18 0.00 2.97 3.02 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 49 C 8.68 4.98 0.00 3.14 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 50 G 9.18 3.49 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 0.00 0.00 0.00 51 T 7.80 4.40 4.13 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 0.00 0.00 1.10 0.00 0.00 52 H 7.97 5.14 0.00 3.34 3.49 0.00 5.90 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.50 3.94 0.00 1.31 1.47 0.00 2.21 0.00 0.00 2.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 54 Y 7.30 4.26 0.00 3.03 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 55 P 0.00 3.94 0.00 2.34 2.44 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.85 0.00 56 E 8.32 3.94 0.00 2.08 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 2.29 2.31 0.00 57 S 7.68 4.31 0.00 4.33 4.12 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 58 H 8.18 4.81 0.00 3.38 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.02 3.87 0.00 2.02 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 2.34 2.36 0.00 60 C 8.31 4.18 0.00 3.00 2.34 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 61 Q 8.93 4.01 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 62 F 8.14 4.15 0.00 2.89 2.99 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 63 D 8.20 3.91 0.00 2.40 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 64 F 8.09 4.19 0.00 3.01 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 65 K 9.82 4.13 0.00 1.85 1.93 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 66 G 7.71 4.15 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 0.00 0.00 0.00 67 V 7.55 3.60 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 68 A 8.26 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.74 4.39 0.00 3.83 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 70 G 8.13 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.32 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 72 S 8.40 4.37 0.00 3.88 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 73 S 8.49 4.35 0.00 3.83 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 74 G 8.68 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