NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9270 8.3549 109.7361 44.8816 0.0000 176.3140 3 K 3.9142 8.6117 124.2407 55.3448 32.5905 170.6906 4 V 4.4894 8.5664 121.2216 61.7933 35.7416 173.6470 5 Y 5.0215 8.9441 124.6783 56.3292 40.8757 174.5328 6 K 4.5453 8.4182 120.6275 54.5444 36.0157 174.8275 7 K 5.4801 8.3606 123.8992 53.7251 34.9295 175.8577 8 V 4.5841 8.4748 116.9472 59.4727 35.7201 173.8708 9 E 5.0486 8.7406 123.9100 54.7560 31.0272 174.8973 10 L 4.8884 9.2137 126.2993 52.8943 46.3391 175.9388 11 V 4.7157 8.2758 119.6554 61.0898 33.3406 174.8786 12 G 4.0374 8.9067 116.3087 45.9113 0.0000 171.0350 13 T 5.3439 7.9190 112.8005 60.0158 72.0918 173.0679 14 S 4.6269 8.5502 113.9244 58.2937 66.0391 176.5486 15 E 4.5405 9.1446 124.5274 57.7304 29.9851 177.8071 16 E 4.0713 8.1724 118.8833 56.9932 30.0196 177.3455 17 G 3.3452 7.1422 104.0728 43.9558 0.0000 173.7074 18 L 3.7570 7.4823 118.2114 57.9531 41.5075 179.3715 19 E 3.8564 8.1309 117.6161 59.4920 29.3275 179.3517 20 A 3.8928 7.8220 119.7709 55.0175 18.6158 179.1528 21 A 3.9190 7.9435 119.2787 55.4643 18.4459 179.8264 22 I 3.4605 7.7744 118.1299 64.7295 37.1027 178.7286 23 Q 3.8721 7.9924 118.4858 58.6950 28.5951 178.5536 24 A 3.9084 8.3759 122.0527 55.2826 18.3944 179.6199 25 A 3.9143 7.8479 118.9806 55.2290 18.3468 179.9296 26 L 3.8433 7.9181 117.3406 57.5843 41.4358 179.2558 27 A 3.9359 8.3793 120.4152 55.5288 18.1676 179.5217 28 R 3.9097 7.8998 116.2600 59.2977 30.0590 178.5808 29 A 3.9135 7.8644 120.9463 55.0154 18.3638 179.4734 30 R 3.7963 8.2591 117.5023 59.4907 29.8122 178.7916 31 K 3.9556 7.5739 117.2913 58.7055 32.1183 177.5682 32 T 4.5464 7.1701 102.2736 60.6053 69.9039 173.4425 33 L 4.4527 7.7406 122.0341 52.9774 44.5159 175.9721 34 R 4.3944 8.0664 121.2207 55.9300 32.3025 175.4268 35 H 4.1874 8.5280 115.5119 56.8481 25.6055 175.2068 36 L 4.5524 8.0803 118.4451 55.4324 42.3716 176.3045 37 D 5.1922 9.3106 122.2551 55.3614 43.4875 175.8641 38 W 5.4736 7.7197 113.1676 55.2556 31.9936 173.1422 39 F 5.3339 8.1931 113.7759 55.4974 40.9096 173.7569 40 E 4.7140 9.3705 119.2380 54.7112 33.6348 174.8279 41 V 4.3206 8.6810 124.7024 62.9366 31.8256 175.3185 42 K 4.4656 9.2904 127.9883 58.1879 33.2420 176.8356 43 E 4.8426 7.9414 116.9646 54.8029 34.5178 174.6055 44 I 4.9757 8.3694 121.9929 59.9988 40.3747 174.5566 45 R 4.5711 9.3542 125.1719 57.0159 32.9281 174.0898 46 G 4.3591 8.1533 106.7480 46.9193 0.0000 172.0486 47 T 4.6783 7.7642 110.2413 60.3151 71.3608 173.7148 48 I 4.7436 8.2434 123.1902 59.7777 39.8697 175.2822 49 G 4.3417 9.2754 116.8368 43.5990 0.0000 173.0831 50 E 3.8903 8.7944 117.2576 59.1607 29.4745 177.8786 51 A 4.4130 7.7431 118.7423 51.9306 20.0446 176.6652 52 G 4.0159 7.4089 102.3806 43.7516 0.0000 176.7686 53 V 3.9355 8.3191 126.8039 62.9502 31.1042 174.9945 54 K 4.1628 8.4227 130.6427 58.3733 32.1067 176.1938 55 E 4.9118 8.3259 118.6228 54.6423 33.7496 173.8873 56 Y 4.8492 9.2506 121.3732 56.8904 39.8299 174.6233 57 Q 5.0774 9.4735 122.5689 54.1096 32.5382 174.4438 58 V 4.7326 9.0530 124.8241 61.0420 34.1515 174.4060 59 V 4.6797 8.7512 129.5874 62.1296 32.8361 174.8176 60 L 5.2295 9.3651 127.2385 54.6069 44.7109 174.2976 61 E 5.1150 9.4410 119.2676 54.5857 32.5111 175.2742 62 V 4.4836 8.8895 124.5643 61.0689 33.9266 174.3432 63 G 3.0045 8.2324 116.0364 44.0486 0.0000 172.3772 64 F 5.6720 8.3061 118.4080 54.9355 42.0235 173.5120 65 R 4.1571 8.8516 121.3937 56.0999 30.5014 175.8952 66 L 4.5742 8.2450 126.5303 54.1709 42.9185 176.9035 67 E 4.3074 8.6955 122.2968 54.8984 30.3428 175.7224 68 E 3.5634 7.9426 116.6983 59.9157 30.0641 177.9562 69 T 4.1771 7.6250 114.6637 61.9475 69.1508 174.8400 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 G 8.35 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 3 K 8.61 3.91 0.00 1.80 1.46 0.00 1.69 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.43 7.81 4 V 8.57 4.49 2.04 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 1.02 0.00 0.00 0.93 0.00 0.00 5 Y 8.94 5.02 0.00 2.97 3.05 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 6 K 8.42 4.55 0.00 1.53 0.74 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.04 1.25 7.81 7 K 8.36 5.48 0.00 1.60 1.61 0.00 2.07 0.00 0.00 2.45 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.26 7.81 8 V 8.47 4.58 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 0.96 0.00 0.00 1.07 0.00 0.00 9 E 8.74 5.05 0.00 1.98 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 2.22 2.33 0.00 10 L 9.21 4.89 0.00 1.52 1.49 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.28 4.72 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.91 4.04 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 0.00 0.00 0.00 13 T 7.92 5.34 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 14 S 8.55 4.63 0.00 3.89 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 15 E 9.14 4.54 0.00 2.03 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 2.46 2.34 0.00 16 E 8.17 4.07 0.00 1.98 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 2.36 2.40 0.00 17 G 7.14 3.35 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 0.00 18 L 7.48 3.76 0.00 1.56 1.64 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 3.86 0.00 1.98 1.97 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 2.38 2.43 0.00 20 A 7.82 3.89 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 21 A 7.94 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.46 1.86 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 1.38 0.89 0.29 0.00 0.00 23 Q 7.99 3.87 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 24 A 8.38 3.91 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 25 A 7.85 3.91 1.34 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 0.00 0.00 26 L 7.92 3.84 0.00 1.74 1.65 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.38 3.94 1.33 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 0.00 0.00 0.00 28 R 7.90 3.91 0.00 1.94 1.90 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 A 7.86 3.91 1.34 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 0.00 0.00 30 R 8.26 3.80 0.00 1.95 2.01 0.00 3.09 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 31 K 7.57 3.96 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 32 T 7.17 4.55 4.17 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 1.16 0.00 0.00 33 L 7.74 4.45 0.00 1.37 0.70 0.52 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.07 4.39 0.00 1.64 1.43 0.00 3.37 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.53 4.19 0.00 3.64 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.08 4.55 0.00 1.68 1.66 0.88 0.93 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 37 D 9.31 5.19 0.00 2.99 3.05 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 38 W 7.72 5.47 0.00 3.27 3.23 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 0.00 39 F 8.19 5.33 0.00 3.02 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 40 E 9.37 4.71 0.00 1.96 1.90 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 2.38 2.54 0.00 41 V 8.68 4.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.15 0.00 0.00 42 K 9.29 4.47 0.00 1.80 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 43 E 7.94 4.84 0.00 1.88 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 2.31 2.36 0.00 44 I 8.37 4.98 1.92 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 1.44 0.65 0.99 0.00 0.00 45 R 9.35 4.57 0.00 1.81 2.03 0.00 2.91 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.15 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.76 4.68 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 1.19 0.00 0.00 48 I 8.24 4.74 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 0.61 0.92 0.00 0.00 49 G 9.28 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 0.00 0.00 0.00 0.00 50 E 8.79 3.89 0.00 1.96 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 2.30 2.30 0.00 51 A 7.74 4.41 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.41 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 53 V 8.32 3.94 1.77 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 -0.21 0.00 0.00 0.67 0.00 0.00 54 K 8.42 4.16 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 55 E 8.33 4.91 0.00 1.91 1.77 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 2.21 2.23 0.00 56 Y 9.25 4.85 0.00 2.96 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 57 Q 9.47 5.08 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 9.05 4.73 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 1.01 0.00 0.00 0.95 0.00 0.00 59 V 8.75 4.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 60 L 9.37 5.23 0.00 1.97 1.77 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.44 5.11 0.00 1.90 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 2.24 2.25 0.00 62 V 8.89 4.48 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 0.97 0.00 0.00 0.92 0.00 0.00 63 G 8.23 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 0.00 0.00 0.00 64 F 8.31 5.67 0.00 3.42 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 65 R 8.85 4.16 0.00 1.97 1.89 0.00 3.08 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.00 66 L 8.24 4.57 0.00 1.69 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 4.31 0.00 1.99 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 2.31 2.42 0.00 68 E 7.94 3.56 0.00 1.95 1.93 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 2.32 2.34 0.00 69 T 7.62 4.18 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 1.21 0.00 0.00