NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3730 8.3049 120.3282 56.4953 32.5767 174.7211 2 Q 3.2644 8.2559 125.1439 56.1291 26.3471 172.1855 3 K 4.3786 8.3513 118.6040 57.9747 35.6440 175.4831 4 D 4.5728 7.7298 118.5276 53.6614 41.6887 176.3072 5 L 4.1976 8.0916 121.1812 54.7235 42.3333 176.9942 6 H 4.3459 9.0287 122.7102 58.7921 31.5797 175.2821 7 P 4.4338 0.0000 0.0000 63.7553 29.9105 176.9076 8 K 4.2296 8.9796 126.5567 55.3788 34.8258 175.5567 9 A 3.8425 8.1153 121.0467 51.3615 17.4851 176.3018 10 V 4.1740 8.1427 113.9918 64.2300 33.4703 173.9275 11 P 4.1741 0.0000 0.0000 63.1130 31.9776 174.6038 12 C 3.8847 9.7661 112.9508 60.7426 24.8793 174.0299 13 K 4.1528 8.1595 118.0314 57.5085 36.6355 170.9330 14 I 3.1148 8.2539 131.7583 61.7903 36.4150 172.2864 15 I 4.4608 7.6276 118.9810 59.5794 41.2164 172.3579 16 Y 4.3892 8.2284 120.1915 57.1290 39.2200 176.6941 17 Q 4.0355 8.8082 114.6406 56.6884 27.6637 171.2829 18 G 3.5580 6.3647 106.6636 44.3467 0.0000 170.8087 19 Q 5.3186 7.9206 119.2139 53.8893 31.2051 174.7145 20 V 4.2348 8.0746 117.7594 62.1491 32.7677 175.3083 21 V 3.1673 8.3522 121.8358 62.3824 28.9213 170.4663 22 M 4.7459 7.3256 128.0029 55.0314 35.5099 176.2386 23 E 4.4360 8.0703 126.3492 55.3291 29.8270 174.0426 24 T 3.1918 7.8159 119.8729 64.4143 65.4754 170.5536 25 M 4.2220 7.4405 130.4149 54.4917 39.2823 175.3791 26 S 4.5553 8.2044 114.6826 59.4271 65.0653 174.5723 27 T 4.5081 7.4759 110.5273 58.3582 70.6206 173.5872 28 R 3.7870 8.8503 124.9609 56.1859 30.4319 174.7857 29 P 4.6464 0.0000 0.0000 61.6520 33.7417 176.1136 30 E 3.6971 8.8420 119.4692 57.0790 27.8720 176.6777 31 I 3.9155 7.9441 126.3787 58.8153 41.7108 174.1340 32 H 4.5951 8.4863 120.2998 55.7886 27.9628 175.1821 33 V 4.6184 7.0337 116.7093 61.2001 35.2474 173.7012 34 D 4.8592 7.7968 117.6696 53.6981 40.2258 175.0533 35 V 4.7465 6.9257 112.7252 59.7016 36.0869 175.7515 36 W 4.7603 8.8452 120.6548 57.1344 30.1780 177.0365 37 S 4.3747 7.7745 115.5428 59.8249 65.5283 173.8523 38 G 4.1710 7.6716 114.6004 46.7401 0.0000 171.6972 39 V 4.5137 7.8653 118.1593 61.2433 34.6666 174.3230 40 H 5.2052 8.4135 121.0847 53.7118 33.6014 172.2774 41 P 4.9811 0.0000 0.0000 63.1294 32.4970 173.9456 42 F 3.7612 8.7707 118.8341 56.4229 42.4512 171.6541 43 W 5.2304 8.6651 123.6462 57.9099 32.3668 172.0944 44 T 3.6167 9.9602 124.2662 64.5286 67.7843 171.3840 45 G 4.1758 7.9314 112.3636 45.8276 0.0000 171.7501 46 E 4.7561 9.2757 118.6252 56.5130 30.6628 177.1827 47 E 4.7177 9.1775 120.1014 55.3743 33.6576 172.7572 48 R 4.6187 8.1818 122.3311 54.4677 33.2428 174.1255 49 F 3.9993 8.7195 122.7787 60.1972 39.4224 173.5950 50 L 3.2072 8.0203 129.5985 55.2301 38.9210 172.3692 51 D 4.5512 7.5933 120.3441 53.1476 40.4697 176.1627 52 T 4.6687 7.9118 117.4571 64.2133 74.3575 173.4498 53 E 4.7689 8.1242 118.9191 58.6874 37.4300 175.4686 54 G 4.1486 7.9097 105.7587 44.6785 0.0000 173.0947 55 R 4.6472 8.4148 120.1865 56.8018 36.4335 177.6825 56 V 3.2730 7.5461 114.2473 63.4704 32.6975 174.9657 57 D 4.4553 7.9577 119.2107 54.6862 44.7649 173.8725 58 K 4.5756 8.2330 120.2371 58.6452 35.2353 176.4865 59 F 4.5378 8.1019 123.8257 57.9111 40.0437 176.0807 60 N 4.9300 7.2930 112.3682 50.6833 39.5294 173.5274 61 K 4.4841 7.3296 121.8783 57.8015 37.0965 175.5421 62 R 3.8050 7.4564 116.8253 59.2054 30.2244 176.5959 63 F 4.6256 7.1443 116.2746 57.6810 38.9375 177.4817 64 G 4.0842 7.5329 112.8096 44.1698 0.0000 174.5966 65 D 4.5625 7.7813 127.0668 52.6945 42.6426 176.2140 66 S 4.6761 8.1280 113.4468 60.2709 68.4905 175.2820 67 Y 4.3920 8.1008 119.8104 57.4784 35.1433 175.7213 68 R 4.4928 7.4661 120.0503 55.9642 32.6748 177.2968 69 R 4.6049 8.6233 113.9922 56.8244 33.8510 174.0913 70 G 3.3762 7.5297 106.0324 44.2666 0.0000 172.7914 71 S 4.5462 7.3160 119.1464 58.4661 65.5815 175.7703 72 K 4.3378 8.2032 115.6660 56.9521 33.6968 174.9657 73 K 4.0686 8.3620 126.4143 57.2409 32.0325 176.3074 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 M 8.30 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 Q 8.26 3.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 3 K 8.35 4.38 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 D 7.73 4.57 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.20 0.00 1.64 1.84 0.96 0.92 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 6 H 9.03 4.35 0.00 3.07 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.32 1.71 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 8 K 8.98 4.23 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 9 A 8.12 3.84 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 10 V 8.14 4.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 11 P 0.00 4.17 0.00 2.13 2.06 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 12 C 9.77 3.88 0.00 3.18 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 13 K 8.16 4.15 0.00 1.69 1.60 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 14 I 8.25 3.11 1.88 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 1.47 1.30 0.89 0.00 0.00 15 I 7.63 4.46 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 -0.53 0.00 0.00 16 Y 8.23 4.39 0.00 2.85 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 17 Q 8.81 4.04 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 18 G 6.36 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 19 Q 7.92 5.32 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 20 V 8.07 4.23 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 0.86 0.00 0.00 1.03 0.00 0.00 21 V 8.35 3.17 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 0.83 0.00 0.00 0.94 0.00 0.00 22 M 7.33 4.75 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 E 8.07 4.44 0.00 1.85 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 2.16 2.25 0.00 24 T 7.82 3.19 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 25 M 7.44 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 26 S 8.20 4.56 0.00 4.00 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 27 T 7.48 4.51 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 28 R 8.85 3.79 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 P 0.00 4.65 0.00 2.35 2.03 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 30 E 8.84 3.70 0.00 1.86 1.75 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 2.12 1.70 0.00 31 I 7.94 3.92 1.82 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 1.40 1.68 0.87 0.00 0.00 32 H 8.49 4.60 0.00 3.41 3.51 0.00 5.70 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 33 V 7.03 4.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.20 0.00 0.00 34 D 7.80 4.86 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.93 4.75 2.23 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 1.05 0.00 0.00 0.99 0.00 0.00 36 W 8.85 4.76 0.00 3.25 3.22 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 37 S 7.77 4.37 0.00 3.88 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 38 G 7.67 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 39 V 7.87 4.51 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 0.93 0.00 0.00 40 H 8.41 5.21 0.00 3.03 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.98 0.00 2.20 1.85 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.26 0.00 42 F 8.77 3.76 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.67 5.23 0.00 3.45 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.96 3.62 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 1.28 0.00 0.00 45 G 7.93 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.28 4.76 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 47 E 9.18 4.72 0.00 1.86 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 2.19 2.27 0.00 48 R 8.18 4.62 0.00 1.82 1.77 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 49 F 8.72 4.00 0.00 3.02 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 50 L 8.02 3.21 0.00 0.65 1.42 0.65 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.59 4.55 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.67 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 53 E 8.12 4.77 0.00 1.88 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 2.19 2.20 0.00 54 G 7.91 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 55 R 8.41 4.65 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 56 V 7.55 3.27 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 0.83 0.00 0.00 1.05 0.00 0.00 57 D 7.96 4.46 0.00 2.72 2.49 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 58 K 8.23 4.58 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 F 8.10 4.54 0.00 2.83 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 60 N 7.29 4.93 0.00 2.69 2.70 0.00 0.00 6.96 7.61 0.00 0.00 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 K 7.33 4.48 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 62 R 7.46 3.80 0.00 1.28 1.69 0.00 3.36 0.00 0.00 3.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 63 F 7.14 4.63 0.00 2.92 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 64 G 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.78 4.56 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 66 S 8.13 4.68 0.00 3.74 3.88 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 0.00 0.00 0.00 67 Y 8.10 4.39 0.00 2.89 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 68 R 7.47 4.49 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 R 8.62 4.60 0.00 1.88 2.03 0.00 3.47 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 G 7.53 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.32 4.55 0.00 3.95 3.84 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 0.00 0.00 0.00 72 K 8.20 4.34 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.32 7.81 73 K 8.36 4.07 0.00 1.75 1.84 0.00 1.81 0.00 0.00 2.14 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81