NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3144 8.2493 123.5832 51.4635 19.8908 175.8709 3 E 4.0479 8.3047 117.2315 56.2917 31.0405 174.4924 4 I 4.5112 9.0106 122.8967 60.6019 38.3486 176.9055 5 K 4.5442 9.1941 127.0199 54.8624 35.5181 174.8766 6 H 4.7592 8.1475 120.2555 54.5802 32.8201 171.5106 7 Y 5.2710 8.6368 123.3002 56.1578 41.4023 174.3719 8 Q 5.0091 9.0933 124.0200 54.2625 32.4110 174.0465 9 F 5.3029 9.2055 124.3136 55.7017 43.1133 173.5527 10 N 5.0501 9.4952 122.9633 52.6388 39.9374 173.7436 11 V 4.7880 8.3050 126.6320 60.8245 34.1875 175.4152 12 V 3.9610 9.1591 128.5849 63.3540 31.3053 175.1780 13 M 4.5837 8.4391 128.0453 53.8759 32.9967 176.3322 14 T 4.1990 8.5027 121.6850 65.0525 69.4155 174.1812 15 C 4.9124 7.5082 114.4241 55.7081 32.9509 174.0279 16 S 4.5746 7.9993 114.1711 59.5916 62.7059 176.2681 17 G 3.5371 7.9584 110.0650 48.0359 0.0000 175.2498 18 C 4.1031 8.0716 119.2122 62.7336 28.0998 176.4041 19 S 4.3013 7.9350 115.8432 61.2676 62.6591 176.6916 20 G 3.5594 8.1856 109.2216 47.3592 0.0000 175.6851 21 A 4.0035 8.2279 123.2579 55.0299 18.2657 179.8971 22 V 3.5178 7.6509 116.4738 65.8832 31.5198 177.7707 23 N 4.2912 8.1872 116.9057 56.6002 38.8487 176.8733 24 K 3.9249 8.1144 119.7879 59.7674 31.9668 179.7354 25 V 3.6516 7.4325 110.8754 64.3535 31.6799 178.3690 26 L 4.1882 7.7882 118.8302 57.7410 41.5334 179.2518 27 T 3.9120 8.3514 116.5279 66.6136 68.3340 176.1535 28 K 4.2732 7.8867 116.8248 58.2669 32.7609 177.7803 29 L 4.4451 7.7791 120.1883 54.2666 42.1442 176.2707 30 E 4.4207 7.8701 118.8425 55.5450 29.8691 175.3764 31 P 4.5975 0.0000 0.0000 63.5075 32.6151 176.7629 32 D 4.4221 8.1445 119.9895 57.3338 41.1628 176.5928 33 V 4.3790 7.8198 120.3512 62.6068 31.7227 175.9470 34 S 4.8600 9.1136 121.7685 58.4162 64.5810 174.2229 35 K 4.5904 7.7699 121.2017 55.5304 35.5221 173.9732 36 I 5.2009 8.5221 127.2496 59.6611 40.5742 174.3860 37 D 4.9307 9.1858 126.3954 52.7485 43.6977 174.7996 38 I 4.7579 8.4926 124.7292 59.5413 39.4818 175.3900 39 S 4.5156 8.7601 122.6916 56.4545 63.3210 174.3346 40 L 3.9774 8.6593 130.0741 58.2190 42.2659 178.9751 41 E 3.9739 8.2914 116.2775 59.4050 29.3911 178.2359 42 K 4.1787 8.1454 115.2281 56.4021 32.8114 176.5977 43 Q 3.4989 7.8457 117.8670 57.2707 27.0857 172.8672 44 L 5.4170 7.8874 115.3151 53.0601 45.9908 176.9347 45 V 4.8279 8.6392 120.6958 61.7343 34.8816 173.5384 46 D 5.4876 9.3207 128.7372 52.7334 43.3187 175.8277 47 V 5.0191 8.7415 122.2880 61.3579 35.3574 173.4811 48 Y 5.0066 8.5387 125.0694 56.6650 40.5370 174.6294 49 T 5.3221 8.9276 117.0430 62.4703 70.9734 173.9184 50 T 4.7030 8.6195 116.1953 62.8818 69.8398 175.3772 51 L 4.2215 7.9582 122.1922 53.4299 42.6364 175.6589 52 P 4.6053 0.0000 0.0000 62.8392 33.2660 176.5625 53 Y 3.1640 8.6903 121.1454 61.2058 38.4622 178.7270 54 D 4.3854 8.2356 118.8521 57.1966 40.9022 178.4228 55 F 4.0758 8.0943 120.9632 61.1195 39.4540 177.2917 56 I 3.6646 7.7909 119.1803 63.9835 36.9102 177.8315 57 L 3.2162 7.7716 121.5963 58.1534 41.8485 178.7860 58 E 3.7445 8.1331 119.1729 59.0150 29.2891 178.7575 59 K 3.6749 7.1308 117.2223 59.4438 32.3583 179.0334 60 I 3.6637 7.5325 119.9517 64.2406 36.9623 178.3924 61 K 3.7841 7.9133 119.4007 59.5842 31.7251 178.9300 62 K 4.1751 7.6433 116.0692 57.9825 32.0258 178.7060 63 T 4.0340 7.6275 110.2597 62.9234 68.9654 175.5761 64 G 3.9249 8.1888 110.0688 44.9610 0.0000 173.6636 65 K 4.2116 7.6642 119.6934 55.4679 33.1062 176.2948 66 E 4.0408 8.6209 124.5488 56.2290 30.9939 175.5409 67 V 4.5183 8.2255 127.1247 61.6415 31.4754 175.3836 68 R 4.3024 8.8732 129.0311 59.2121 30.6565 177.2576 69 S 4.7071 7.9597 110.6134 57.8451 65.9776 174.2003 70 G 4.8237 8.8748 106.7666 44.9626 0.0000 171.8841 71 K 4.6130 8.7540 118.7112 55.2325 36.3591 174.8091 72 Q 4.7952 8.3318 123.3665 55.7308 30.1265 175.4853 73 L 4.3713 8.3967 125.1927 54.8275 41.6308 176.3111 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 2 A 8.25 4.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.05 0.00 2.15 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 0.00 2.37 2.41 0.00 4 I 9.01 4.51 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 1.00 0.00 0.00 5 K 9.19 4.54 0.00 1.50 1.38 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 6 H 8.15 4.76 0.00 2.95 2.92 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.64 5.27 0.00 2.85 2.27 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 0.00 8 Q 9.09 5.01 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 9 F 9.21 5.30 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 9.50 5.05 0.00 2.84 2.75 0.00 0.00 6.33 7.73 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 11 V 8.30 4.79 2.10 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 0.81 0.00 0.00 0.97 0.00 0.00 12 V 9.16 3.96 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 0.79 0.00 0.00 0.99 0.00 0.00 13 M 8.44 4.58 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 14 T 8.50 4.20 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 15 C 7.51 4.91 0.00 3.04 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 16 S 8.00 4.57 0.00 4.07 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 17 G 7.96 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 18 C 8.07 4.10 0.00 3.20 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 19 S 7.94 4.30 0.00 4.02 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 20 G 8.19 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 3.52 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 0.94 0.00 0.00 0.93 0.00 0.00 23 N 8.19 4.29 0.00 3.03 2.93 0.00 0.00 7.17 6.09 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 24 K 8.11 3.92 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.63 7.81 25 V 7.43 3.65 2.02 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 0.72 0.00 0.00 0.96 0.00 0.00 26 L 7.79 4.19 0.00 1.66 1.75 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.35 3.91 4.48 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 1.22 0.00 0.00 28 K 7.89 4.27 0.00 1.94 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.65 7.81 29 L 7.78 4.45 0.00 2.01 1.84 1.03 1.14 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 30 E 7.87 4.42 0.00 2.10 1.92 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 2.50 2.26 0.00 31 P 0.00 4.60 0.00 2.18 2.17 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 32 D 8.14 4.42 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.38 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 1.06 0.00 0.00 1.04 0.00 0.00 34 S 9.11 4.86 0.00 3.83 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 35 K 7.77 4.59 0.00 1.67 1.63 0.00 1.21 0.00 0.00 0.91 0.00 0.00 3.10 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.37 7.81 36 I 8.52 5.20 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 1.05 0.00 0.00 37 D 9.19 4.93 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 4.76 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.93 0.00 0.00 39 S 8.76 4.52 0.00 3.92 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 40 L 8.66 3.98 0.00 1.77 1.66 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.29 3.97 0.00 1.99 2.02 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 2.33 2.41 0.00 42 K 8.15 4.18 0.00 1.78 1.87 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 Q 7.85 3.50 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 44 L 7.89 5.42 0.00 1.62 1.57 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.64 4.83 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 1.14 0.00 0.00 0.97 0.00 0.00 46 D 9.32 5.49 0.00 2.74 2.58 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 0.00 0.00 0.00 0.00 47 V 8.74 5.02 2.36 0.00 0.00 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 1.12 0.00 0.00 48 Y 8.54 5.01 0.00 2.94 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 49 T 8.93 5.32 4.34 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 1.38 0.00 0.00 50 T 8.62 4.70 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 1.30 0.00 0.00 51 L 7.96 4.22 0.00 1.86 1.66 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.61 0.00 2.38 2.26 0.00 3.60 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 2.12 2.02 0.00 53 Y 8.69 3.16 0.00 2.36 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.39 0.00 2.82 2.76 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 0.00 0.00 0.00 0.00 55 F 8.09 4.08 0.00 3.19 3.32 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 56 I 7.79 3.66 2.06 0.00 0.00 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 1.92 1.13 0.92 0.00 0.00 57 L 7.77 3.22 0.00 1.35 1.65 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.13 3.74 0.00 1.90 1.84 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 2.15 2.38 0.00 59 K 7.13 3.67 0.00 1.64 1.65 0.00 1.58 0.00 0.00 1.42 0.00 0.00 2.47 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.84 1.16 7.81 60 I 7.53 3.66 1.52 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.34 0.69 0.00 0.00 61 K 7.91 3.78 0.00 1.83 1.79 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 62 K 7.64 4.18 0.00 1.64 1.79 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 63 T 7.63 4.03 4.19 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 1.18 0.00 0.00 64 G 8.19 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 65 K 7.66 4.21 0.00 1.71 1.89 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 66 E 8.62 4.04 0.00 2.04 1.81 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 2.37 2.30 0.00 67 V 8.23 4.52 2.05 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 0.93 0.00 0.00 0.79 0.00 0.00 68 R 8.87 4.30 0.00 1.78 1.99 0.00 3.26 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 69 S 7.96 4.71 0.00 3.88 3.94 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 70 G 8.87 4.82 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 0.00 0.00 0.00 71 K 8.75 4.61 0.00 1.68 1.78 0.00 1.25 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.29 7.81 72 Q 8.33 4.80 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.78 0.00 73 L 8.40 4.37 0.00 1.40 1.47 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00