NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2988 8.4449 120.2249 56.3996 30.7386 175.5432 4 R 4.0404 7.9516 120.4317 54.4371 32.7662 175.0686 5 P 4.2125 0.0000 0.0000 66.1351 31.7997 178.7408 6 L 3.9606 7.7990 116.4037 57.0971 41.5464 179.1113 7 D 4.3439 7.8029 119.0784 57.1933 40.7722 178.5514 8 V 3.5698 7.5576 117.6237 66.0370 31.7857 177.8794 9 I 3.7599 7.5691 119.4937 64.3315 36.8034 177.7166 10 H 4.2436 8.0565 119.3948 59.1001 29.5240 176.6868 11 R 4.2861 7.9269 114.5619 57.1463 30.0225 177.4898 12 S 4.4954 7.7299 115.7579 57.7431 63.4306 173.8778 13 L 4.3672 6.9403 122.5528 56.4783 41.8609 176.7101 14 D 4.4878 9.4458 120.5674 54.8928 39.2523 173.5611 15 K 4.7815 7.8137 118.0899 54.2060 36.3791 175.0029 16 D 5.0047 8.5365 121.8274 54.6112 42.4521 175.4121 17 V 4.9666 8.9869 117.6275 59.6621 36.9014 173.7263 18 L 4.8807 8.7718 124.1228 53.3760 44.6823 175.2183 19 V 4.6480 9.1065 126.8071 61.3312 33.5468 174.1559 20 I 4.3537 8.6319 130.4868 60.5216 38.4242 175.5022 21 L 4.7641 8.1459 127.0223 52.7231 43.8860 177.5875 22 K 4.5062 8.3715 119.0245 57.2240 31.3336 178.1009 23 K 4.3685 7.9521 121.4787 55.8714 33.6415 177.0856 24 G 4.0524 8.1027 104.4488 44.9753 0.0000 172.5076 25 F 5.2265 7.8423 114.3336 55.1683 42.1386 172.9373 26 E 4.6974 9.0903 115.5521 55.2981 33.5601 173.8066 27 F 5.5347 9.0278 118.2565 55.8353 42.3716 175.0868 28 R 5.0742 9.0028 120.8997 54.3890 33.9229 175.3732 29 G 4.0315 7.9882 108.2440 46.5417 0.0000 170.9477 30 R 4.9075 8.0712 120.8337 54.6915 31.6712 175.8062 31 L 4.7411 8.9502 130.0847 55.2638 42.7209 176.7555 32 I 4.5444 8.3166 118.9252 60.3200 38.9073 175.1501 33 G 4.1296 7.5916 108.6333 46.4520 0.0000 171.6257 34 Y 5.7583 7.9574 117.4375 57.5862 40.6656 171.8755 35 D 4.8352 8.2907 118.3132 51.4846 42.6251 175.9680 36 I 3.8331 8.2688 111.6329 63.5821 37.4468 176.3267 37 H 4.5871 8.1860 116.5192 55.4955 28.8835 175.2149 38 L 3.7961 8.0408 118.3882 55.4654 39.6354 174.0587 39 N 4.8312 8.5600 116.9844 53.4404 39.6101 174.8067 40 V 5.0390 8.6682 115.4238 59.5100 36.4420 174.5285 41 V 4.7993 8.6736 121.6672 61.1783 34.2817 174.2693 42 L 5.3681 8.9557 127.2101 52.9181 45.1243 175.2495 43 A 4.9309 9.0174 124.3757 50.5773 21.6988 176.3024 44 D 4.4367 8.3998 119.2440 55.2847 39.2612 173.7313 45 A 5.0214 8.1827 120.5982 51.2661 21.7026 177.7510 46 E 5.2073 9.5260 119.0371 54.7691 33.6721 174.8170 47 M 4.7937 9.5665 125.3293 55.1793 33.9237 174.7250 48 I 5.0519 9.3571 127.3479 59.6059 40.5940 174.4585 49 Q 4.6829 8.8948 125.7409 54.1707 31.8413 175.6286 50 D 4.4574 9.4946 125.5312 55.6494 38.1574 174.2682 51 G 3.9837 8.3563 101.3713 46.0644 0.0000 172.8361 52 E 4.6099 7.7326 119.1681 53.6342 32.7285 174.8399 53 V 4.1965 8.4164 125.5139 63.2162 31.9686 175.7585 54 V 4.4217 7.9735 118.7690 60.4289 33.2227 175.4072 55 K 4.2004 7.2711 119.2187 55.8021 35.1187 173.5813 56 R 5.1104 8.2549 123.7479 54.6810 34.0179 174.4098 57 Y 4.7162 9.2405 118.8004 56.3953 42.0715 176.7588 58 G 3.6949 9.0441 110.7505 49.0681 0.0000 173.4203 59 K 5.1960 7.8085 119.7375 55.1152 35.3826 175.1754 60 I 4.4682 8.8118 126.6793 59.3677 41.9285 173.5162 61 V 4.5452 8.2479 128.6449 61.4544 32.9430 174.5209 62 I 4.3412 8.4188 129.8149 59.3836 39.5472 175.6615 63 R 4.6022 8.5472 126.4864 55.6438 30.8248 177.9826 64 G 3.7038 9.7685 112.7213 48.4699 0.0000 175.0644 65 D 4.3209 8.1391 118.2184 56.5524 41.4939 176.2227 66 N 4.7286 8.0128 114.5245 52.9196 39.1866 174.3350 67 V 4.3802 7.5484 119.6348 62.0318 32.5504 175.2296 68 L 4.3168 9.0934 130.0633 57.4611 42.6102 175.9814 69 A 4.6501 7.4820 117.6451 51.2130 22.9895 174.6449 70 I 4.9822 8.1181 118.8273 59.7909 41.0550 175.2403 71 S 4.6793 9.1621 121.7718 55.4303 65.1237 171.2596 72 P 4.5750 0.0000 0.0000 62.9074 31.8054 176.5102 73 T 4.1362 8.8311 120.0831 63.8595 67.9448 174.1937 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 3 E 8.44 4.30 0.00 1.96 1.99 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 2.21 2.33 0.00 4 R 7.95 4.04 0.00 1.93 1.83 0.00 3.13 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 5 P 0.00 4.21 0.00 2.11 2.07 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 6 L 7.80 3.96 0.00 1.65 1.67 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.80 4.34 0.00 2.82 2.70 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 8 V 7.56 3.57 2.17 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 0.79 0.00 0.00 0.93 0.00 0.00 9 I 7.57 3.76 1.42 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.34 0.00 0.00 10 H 8.06 4.24 0.00 3.40 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.93 4.29 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 12 S 7.73 4.50 0.00 4.04 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 13 L 6.94 4.37 0.00 1.57 1.63 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.45 4.49 0.00 2.79 2.77 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 15 K 7.81 4.78 0.00 1.82 1.66 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.49 7.81 16 D 8.54 5.00 0.00 2.74 2.54 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 17 V 8.99 4.97 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 0.89 0.00 0.00 0.95 0.00 0.00 18 L 8.77 4.88 0.00 1.75 1.63 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.11 4.65 2.25 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 1.04 0.00 0.00 0.97 0.00 0.00 20 I 8.63 4.35 1.83 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 1.20 0.49 0.86 0.00 0.00 21 L 8.15 4.76 0.00 1.04 1.21 0.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.37 4.51 0.00 1.64 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.58 7.81 23 K 7.95 4.37 0.00 1.50 2.18 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.39 1.62 7.81 24 G 8.10 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 25 F 7.84 5.23 0.00 3.26 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 26 E 9.09 4.70 0.00 2.09 1.95 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 2.18 2.29 0.00 27 F 9.03 5.53 0.00 3.06 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 28 R 9.00 5.07 0.00 1.77 1.83 0.00 3.40 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 29 G 7.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.07 4.91 0.00 1.92 1.83 0.00 3.23 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 8.95 4.74 0.00 1.83 1.73 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.32 4.54 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.95 0.00 0.00 33 G 7.59 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 34 Y 7.96 5.76 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 35 D 8.29 4.84 0.00 2.84 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 36 I 8.27 3.83 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.25 0.92 0.00 0.00 37 H 8.19 4.59 0.00 3.30 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.04 3.80 0.00 1.82 1.82 0.91 0.86 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 39 N 8.56 4.83 0.00 2.98 2.74 0.00 0.00 6.81 7.20 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 40 V 8.67 5.04 2.11 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 0.81 0.00 0.00 0.91 0.00 0.00 41 V 8.67 4.80 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 0.99 0.00 0.00 0.91 0.00 0.00 42 L 8.96 5.37 0.00 1.52 1.51 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.02 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.40 4.44 0.00 2.78 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 45 A 8.18 5.02 1.39 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 0.00 0.00 46 E 9.53 5.21 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 47 M 9.57 4.79 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 48 I 9.36 5.05 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.94 0.00 0.00 49 Q 8.89 4.68 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.35 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 50 D 9.49 4.46 0.00 2.79 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 51 G 8.36 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 0.00 0.00 0.00 52 E 7.73 4.61 0.00 1.90 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 2.18 2.22 0.00 53 V 8.42 4.20 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 0.89 0.00 0.00 0.99 0.00 0.00 54 V 7.97 4.42 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 0.73 0.00 0.00 0.85 0.00 0.00 55 K 7.27 4.20 0.00 1.75 1.57 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.73 1.17 7.81 56 R 8.25 5.11 0.00 1.56 1.72 0.00 3.17 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 57 Y 9.24 4.72 0.00 2.87 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 58 G 9.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 5.20 0.00 1.74 1.65 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.42 7.81 60 I 8.81 4.47 1.48 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.05 0.53 0.00 0.00 61 V 8.25 4.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 62 I 8.42 4.34 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.41 0.89 0.00 0.00 63 R 8.55 4.60 0.00 1.87 1.85 0.00 3.12 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.77 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 0.00 0.00 0.00 65 D 8.14 4.32 0.00 2.62 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 66 N 8.01 4.73 0.00 2.80 2.80 0.00 0.00 6.43 8.09 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 67 V 7.55 4.38 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 0.80 0.00 0.00 0.99 0.00 0.00 68 L 9.09 4.32 0.00 1.59 1.80 0.90 0.95 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 69 A 7.48 4.65 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 70 I 8.12 4.98 1.84 0.00 0.00 0.83 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 0.69 0.94 0.00 0.00 71 S 9.16 4.68 0.00 3.82 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 72 P 0.00 4.57 0.00 2.10 2.04 0.00 3.81 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 1.98 1.98 0.00 73 T 8.83 4.14 4.33 0.00 0.00 0.00 0.00 0.00 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