NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 S 4.3817 8.3301 115.4133 57.6898 63.7569 173.8082 40 A 4.1762 8.5378 121.8514 51.3536 18.9809 175.9332 41 L 4.2446 9.2520 123.8910 54.7139 43.8733 175.4403 42 A 4.6838 8.3876 124.3300 50.3083 21.3380 176.0828 43 E 4.2335 8.4994 120.2902 57.8129 29.9099 177.0245 44 G 3.9744 9.1518 115.8039 44.9444 0.0000 173.1236 45 Q 4.3736 7.7266 121.2215 55.1836 30.4566 175.4885 46 S 4.9231 8.5797 121.1627 59.5062 63.8833 172.1384 47 C 4.8512 8.9389 116.0509 55.2060 40.2235 172.4768 48 G 4.0566 8.7643 105.9364 45.6585 0.0000 174.5197 49 V 3.4346 8.4247 119.6959 65.5581 31.2783 176.3589 50 Y 4.6543 7.6467 114.1624 57.7650 37.9657 175.0383 51 T 4.5497 7.2130 111.3976 59.5609 71.1205 173.9390 52 E 4.1794 8.3551 120.4461 56.4683 30.1145 177.1760 53 R 4.3242 8.1759 119.2397 56.0238 31.6447 177.1017 54 C 4.9780 8.6292 118.4287 56.6289 38.2179 173.4625 55 A 4.3361 8.9462 122.8991 51.6250 19.3329 177.4219 56 Q 4.0457 8.5854 118.4385 57.9815 29.1506 178.0529 57 G 4.0013 9.1881 109.9501 44.9763 0.0000 172.8163 58 L 5.8368 7.7633 118.2088 51.9073 45.3950 176.0431 59 R 4.6943 8.4220 115.9195 54.5195 33.5185 173.4275 60 C 4.8286 8.7735 121.1002 56.4271 42.3826 172.5285 61 L 5.1176 8.7473 126.3765 52.1974 45.2417 174.7278 62 P 4.8557 0.0000 0.0000 61.7808 33.2947 175.8472 63 R 4.1265 8.3533 119.1195 56.0360 30.4824 178.0829 64 Q 4.1596 8.7250 120.9168 57.8103 28.7861 176.5880 65 D 4.7536 7.7954 116.2799 52.8372 40.0842 176.3178 66 E 4.1742 8.0488 120.8648 56.4851 30.0282 177.0143 67 E 4.1371 8.9035 123.3081 58.6425 29.9887 177.2804 68 K 4.5458 7.5897 118.7730 52.8774 32.7628 174.3751 69 P 4.2535 0.0000 0.0000 65.4974 31.5621 177.8202 70 L 3.9601 7.8710 117.0144 58.2691 41.6685 179.2248 71 H 4.1608 8.3117 115.3118 58.5974 28.6490 177.6024 72 A 4.0885 8.2398 123.0680 55.0920 18.1405 179.7081 73 L 3.9863 7.9778 117.6009 57.9183 41.4714 179.6983 74 L 3.9558 7.7947 117.9819 57.4779 41.4919 178.1040 75 H 4.9722 7.8505 114.3532 54.9898 29.2420 175.2812 76 G 3.9960 7.9688 107.0124 47.1100 0.0000 174.6895 77 R 4.5173 8.5319 116.2114 55.7118 31.1300 176.9711 78 G 4.1700 8.0911 109.1123 45.4410 0.0000 173.2990 79 V 5.1067 8.9334 118.4621 59.9152 35.2392 174.1875 80 C 4.9763 8.9399 121.5501 57.2300 35.4692 172.7980 81 L 5.0891 8.3783 123.5791 52.7957 46.7153 177.9398 82 N 3.9235 9.1601 110.2386 54.3281 38.0702 174.6374 83 E 4.0821 7.6712 117.6677 55.3035 28.3704 176.3677 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 39 S 8.33 4.38 0.00 3.99 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 40 A 8.54 4.18 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 41 L 9.25 4.24 0.00 1.65 1.59 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.39 4.68 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 43 E 8.50 4.23 0.00 1.94 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 2.29 2.31 0.00 44 G 9.15 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 45 Q 7.73 4.37 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 46 S 8.58 4.92 0.00 3.80 3.80 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 47 C 8.94 4.85 0.00 2.96 3.13 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 48 G 8.76 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 3.43 1.29 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 -0.05 0.00 0.00 0.71 0.00 0.00 50 Y 7.65 4.65 0.00 3.03 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 51 T 7.21 4.55 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 1.27 0.00 0.00 52 E 8.36 4.18 0.00 1.99 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 2.33 2.29 0.00 53 R 8.18 4.32 0.00 1.76 1.83 0.00 3.11 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 54 C 8.63 4.98 0.00 2.85 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 55 A 8.95 4.34 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 56 Q 8.59 4.05 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 57 G 9.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 5.84 0.00 1.64 1.61 0.93 0.93 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 59 R 8.42 4.69 0.00 1.83 1.95 0.00 2.75 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 60 C 8.77 4.83 0.00 2.99 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 61 L 8.75 5.12 0.00 1.56 1.49 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.86 0.00 2.08 2.17 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 63 R 8.35 4.13 0.00 1.92 1.99 0.00 3.30 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 64 Q 8.73 4.16 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 65 D 7.80 4.75 0.00 2.77 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 66 E 8.05 4.17 0.00 2.06 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 0.00 2.45 2.44 0.00 67 E 8.90 4.14 0.00 1.96 2.01 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 2.31 2.27 0.00 68 K 7.59 4.55 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.29 7.81 69 P 0.00 4.25 0.00 2.16 2.12 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 70 L 7.87 3.96 0.00 1.69 1.67 0.91 1.10 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 71 H 8.31 4.16 0.00 3.42 3.47 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.24 4.09 1.47 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 73 L 7.98 3.99 0.00 1.89 1.66 0.93 0.63 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 74 L 7.79 3.96 0.00 1.65 1.71 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.85 4.97 0.00 3.20 3.34 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.53 4.52 0.00 1.81 1.96 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 78 G 8.09 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 0.00 0.00 0.00 0.00 79 V 8.93 5.11 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 0.81 0.00 0.00 0.95 0.00 0.00 80 C 8.94 4.98 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.38 5.09 0.00 1.56 1.54 0.92 0.50 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 82 N 9.16 3.92 0.00 2.95 2.26 0.00 0.00 6.00 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 83 E 7.67 4.08 0.00 1.95 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 2.33 2.45 0.00