NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3177 8.1127 119.7064 56.2294 31.7291 176.7254 9 N 4.3899 7.9550 118.4035 55.8351 39.9010 173.1942 10 E 3.9675 9.2663 119.0614 59.4792 30.8554 178.6130 11 L 4.1831 7.8099 117.2610 56.8117 42.6296 178.9101 12 E 3.9454 8.0266 119.5001 59.1941 29.0545 178.0196 13 E 4.2504 8.5400 116.9903 57.6601 29.5401 177.5023 14 M 4.2943 7.2925 117.4878 55.8430 33.1254 176.3502 15 Q 4.5744 7.7191 115.7397 56.0625 29.7146 177.3689 16 R 4.1635 8.0458 120.3785 58.7674 30.1933 177.9383 17 R 4.4716 7.2925 114.7995 56.6890 30.3709 177.2877 18 A 4.5053 7.5823 121.9546 53.5241 19.9171 178.2617 19 D 4.4021 7.7053 113.7730 55.8775 41.3963 178.1770 20 Q 3.8069 7.8198 119.8808 59.7426 29.0847 177.7320 21 L 4.0869 7.9238 118.8813 57.0744 41.7096 179.2955 22 A 3.9699 7.4143 120.7378 55.3565 18.3481 179.4513 23 D 4.3028 7.6198 117.0352 57.5563 41.0772 178.7144 24 E 3.9875 8.0206 118.6184 59.6604 29.5253 179.7989 25 S 4.1649 7.8905 115.1099 61.3995 63.1611 176.4050 26 L 4.0639 7.8404 122.2167 57.4771 41.7175 178.6479 27 E 3.9643 8.5690 120.4965 59.1775 29.7122 178.5365 28 S 4.2347 7.9999 113.0691 60.7744 63.0778 175.9028 29 T 4.0301 7.7017 116.7635 64.5938 66.7080 176.7010 30 R 3.9354 7.8101 120.1387 59.1402 30.1088 179.1726 31 R 3.9278 8.1530 117.8950 59.4266 30.0544 178.6936 32 M 3.9911 8.0419 118.5141 58.6948 32.0565 178.4104 33 L 3.8959 7.6850 119.7271 58.3294 41.9557 179.0205 34 Q 3.8847 7.7124 118.6711 59.2554 29.1792 177.6894 35 L 3.9286 7.9508 120.0013 58.1504 41.6946 179.9276 36 V 3.6554 8.0728 118.0261 65.6884 31.4411 177.9553 37 E 3.9588 7.9217 118.0207 59.5269 29.3814 179.2099 38 E 3.9672 8.3958 118.6578 59.6214 29.6147 179.5322 39 S 4.3401 8.1259 115.1117 61.3642 62.6979 176.9194 40 K 3.9526 7.8281 121.8948 59.7104 31.9417 178.2118 41 D 4.3209 8.1433 118.9402 57.4465 40.6480 178.4570 42 A 4.0524 8.8458 121.6156 55.3924 18.3860 180.1113 43 G 3.5198 7.8717 103.6809 48.0463 0.0000 176.1934 44 I 3.7469 7.9999 122.8233 63.9471 37.0396 178.5317 45 R 3.9235 8.2072 119.1806 59.8462 29.9593 179.1409 46 T 3.8623 7.6509 115.2937 66.7192 67.9402 176.7392 47 L 4.0586 7.8359 120.9804 57.5118 41.6293 179.9280 48 V 3.6467 8.2642 119.7395 64.9385 31.4221 178.2281 49 M 3.9873 8.1883 119.6080 58.3103 32.0604 178.7822 50 L 4.2547 7.8765 118.6074 57.6845 41.5610 179.2236 51 D 4.3574 7.6872 117.6282 57.0576 41.2783 178.1720 52 E 4.0576 8.1187 119.1561 59.5863 29.6107 179.2907 53 Q 4.2284 8.7136 118.0590 58.2571 28.7376 178.9135 54 G 3.6108 7.8776 107.1606 47.7244 0.0000 175.7370 55 E 4.2120 7.8037 119.5309 59.0060 29.4237 179.1553 56 Q 3.9952 7.9622 117.9571 59.2459 28.9049 179.2098 57 L 4.0027 7.9188 119.6506 57.7637 41.5805 179.3109 58 D 4.3731 7.8843 118.5351 57.3639 40.7610 179.1219 59 R 3.8780 8.2400 118.8049 59.3923 29.9774 179.2126 60 V 3.6193 8.0893 118.2767 65.9570 31.4535 177.6524 61 E 3.9811 8.1888 119.0786 59.0589 29.4685 178.2451 62 E 4.1004 8.1379 118.3969 59.4969 29.4345 179.2444 63 G 3.6988 8.0946 105.5788 48.4465 0.0000 175.4404 64 M 4.1715 7.9282 121.4905 57.7109 32.0096 178.8825 65 N 4.2992 8.0770 116.1648 56.5867 38.7606 176.5422 66 H 3.9986 8.5064 119.8389 59.6575 29.8608 176.9376 67 I 3.7016 8.2701 121.7150 64.6698 36.8219 177.9736 68 N 4.2802 8.4124 117.9199 56.7465 38.6141 176.8289 69 Q 3.9597 7.9432 119.8559 59.0226 29.3672 177.7876 70 D 4.4355 8.2373 120.0666 57.7464 40.5313 178.6107 71 M 4.2965 8.2923 119.0914 58.1317 31.5052 178.7972 72 K 4.2662 7.7752 118.6666 58.5040 32.1827 178.9254 73 E 3.9518 8.4910 120.1758 59.1283 29.8382 178.3791 74 A 4.0129 8.0174 119.9481 54.6097 18.0422 179.1478 75 E 3.8060 7.5946 116.7242 59.3093 29.6066 178.0883 76 K 3.9698 7.5774 119.2901 59.8021 32.1232 178.3002 77 N 4.3456 8.3350 116.3968 56.3890 38.4998 177.3252 78 L 4.1879 7.7325 119.0283 56.7215 41.4373 179.1771 79 K 4.1691 7.5287 118.7013 58.8894 32.2765 177.4336 80 D 4.7773 8.2040 116.9113 54.3731 40.7141 176.3553 81 L 4.6533 7.1171 118.1879 54.0506 42.6980 176.8549 82 G 4.2693 8.2919 113.2160 46.2055 0.0000 174.3275 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 8 R 8.11 4.32 0.00 1.89 1.99 0.00 3.09 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 9 N 7.95 4.39 0.00 2.88 2.80 0.00 0.00 7.04 6.77 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 10 E 9.27 3.97 0.00 2.07 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 0.00 2.40 2.35 0.00 11 L 7.81 4.18 0.00 1.71 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.03 3.95 0.00 2.13 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 2.30 2.35 0.00 13 E 8.54 4.25 0.00 2.16 1.96 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 2.32 2.31 0.00 14 M 7.29 4.29 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 15 Q 7.72 4.57 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 16 R 8.05 4.16 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 17 R 7.29 4.47 0.00 1.96 1.95 0.00 3.38 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 18 A 7.58 4.51 1.36 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 19 D 7.71 4.40 0.00 2.85 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 20 Q 7.82 3.81 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 21 L 7.92 4.09 0.00 1.73 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.41 3.97 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 23 D 7.62 4.30 0.00 2.59 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 24 E 8.02 3.99 0.00 2.01 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 2.33 2.53 0.00 25 S 7.89 4.16 0.00 4.02 3.90 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 0.00 0.00 0.00 26 L 7.84 4.06 0.00 1.74 1.66 0.92 0.70 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 27 E 8.57 3.96 0.00 2.18 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 0.00 2.30 2.35 0.00 28 S 8.00 4.23 0.00 4.13 4.22 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 29 T 7.70 4.03 4.43 0.00 0.00 0.00 0.00 0.00 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 30 R 7.81 3.94 0.00 2.12 1.96 0.00 3.38 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 31 R 8.15 3.93 0.00 1.85 1.97 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 32 M 8.04 3.99 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 33 L 7.69 3.90 0.00 1.92 1.84 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.71 3.88 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 35 L 7.95 3.93 0.00 1.73 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.07 3.66 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 1.03 0.00 0.00 0.99 0.00 0.00 37 E 7.92 3.96 0.00 2.22 1.98 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 2.54 2.50 0.00 38 E 8.40 3.97 0.00 2.00 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 2.33 2.50 0.00 39 S 8.13 4.34 0.00 4.09 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 40 K 7.83 3.95 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 D 8.14 4.32 0.00 2.89 2.67 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 42 A 8.85 4.05 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 43 G 7.87 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.75 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.91 0.00 0.00 45 R 8.21 3.92 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 46 T 7.65 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 47 L 7.84 4.06 0.00 1.87 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.26 3.65 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 0.93 0.00 0.00 49 M 8.19 3.99 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 50 L 7.88 4.25 0.00 1.84 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.69 4.36 0.00 2.97 2.82 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 52 E 8.12 4.06 0.00 2.20 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 2.33 2.47 0.00 53 Q 8.71 4.23 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 54 G 7.88 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.80 4.21 0.00 2.24 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 0.00 2.32 2.53 0.00 56 Q 7.96 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 57 L 7.92 4.00 0.00 1.75 1.72 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.88 4.37 0.00 2.85 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 59 R 8.24 3.88 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 60 V 8.09 3.62 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 0.99 0.00 0.00 0.96 0.00 0.00 61 E 8.19 3.98 0.00 2.23 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 0.00 2.30 2.35 0.00 62 E 8.14 4.10 0.00 2.26 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 2.34 2.53 0.00 63 G 8.09 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 64 M 7.93 4.17 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.94 0.00 65 N 8.08 4.30 0.00 2.98 2.87 0.00 0.00 6.57 7.44 0.00 0.00 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 H 8.51 4.00 0.00 3.35 3.45 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.27 3.70 2.01 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 1.43 0.70 0.92 0.00 0.00 68 N 8.41 4.28 0.00 2.96 2.93 0.00 0.00 6.84 7.34 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 69 Q 7.94 3.96 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 70 D 8.24 4.44 0.00 2.86 2.69 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 71 M 8.29 4.30 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 72 K 7.78 4.27 0.00 1.99 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 73 E 8.49 3.95 0.00 2.02 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 0.00 2.29 2.36 0.00 74 A 8.02 4.01 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 75 E 7.59 3.81 0.00 2.22 2.13 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 2.32 2.31 0.00 76 K 7.58 3.97 0.00 1.86 2.01 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 77 N 8.34 4.35 0.00 2.77 2.84 0.00 0.00 7.05 6.32 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 78 L 7.73 4.19 0.00 1.82 1.72 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.53 4.17 0.00 1.78 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 80 D 8.20 4.78 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.65 0.00 1.76 1.62 0.99 0.83 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 G 8.29 4.27 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 0.00 0.00 0.00