NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0607 8.1585 120.3189 55.3939 34.6175 177.6008 2 A 4.1439 7.9433 120.9445 53.6524 18.7358 178.0235 3 K 3.9148 9.1930 117.5077 59.1238 33.2086 175.9500 4 E 4.1203 7.9862 115.9902 56.5515 30.2733 176.4283 5 F 4.5278 7.2880 114.6857 55.7020 41.0276 175.5411 6 G 3.6506 8.0847 108.3146 46.3264 0.0000 173.6084 7 I 4.0806 7.6243 121.4860 59.3739 37.8568 174.3124 8 P 4.4221 0.0000 0.0000 62.0840 33.1700 177.0482 9 A 4.0002 8.6930 122.4493 55.6716 18.0347 180.2088 10 A 3.9247 7.9416 118.4969 55.0673 18.3967 179.8934 11 V 3.6421 7.6991 116.1560 65.8093 31.7492 177.8986 12 A 4.0601 8.6247 121.0248 55.2751 18.2757 179.9025 13 G 3.5425 8.4438 104.5126 48.1210 0.0000 176.0923 14 T 3.8791 7.5863 116.6765 66.3829 68.4193 176.8903 15 V 3.5775 7.9763 120.2453 66.1143 31.5149 178.1001 16 L 3.9915 8.1440 118.8066 57.8786 41.4972 179.3035 17 N 4.3103 8.3195 116.5464 56.0828 38.3178 177.6324 18 V 3.5164 7.6944 119.4453 65.8443 31.5324 178.0876 19 V 3.5798 7.9014 118.0561 66.3408 31.1825 177.9019 20 E 4.1023 8.3197 116.1070 58.3486 29.3501 178.0229 21 A 4.4753 7.6872 119.0778 51.0937 19.0037 177.1506 22 G 3.8076 7.8857 105.5375 46.6048 0.0000 174.8507 23 G 3.6663 8.0041 108.4720 44.3594 0.0000 174.7877 24 W 4.6716 8.0498 119.2471 56.1152 31.1287 177.8562 25 V 3.6848 8.6370 121.7844 66.6111 30.9643 178.3014 26 T 4.0061 8.0977 112.2730 65.4247 67.1333 176.1052 27 T 3.9744 7.9857 117.2145 66.7059 68.6572 176.6520 28 I 3.7175 7.8467 121.7683 64.3909 37.0436 178.6638 29 V 3.6398 8.3863 119.7515 66.0175 31.4547 178.2655 30 S 4.1575 8.2521 114.0687 61.3710 62.6300 176.6774 31 I 3.7240 7.7970 123.4248 64.2477 36.9268 178.4296 32 L 3.9153 8.0543 119.8293 58.0209 41.4806 179.6613 33 T 3.8811 8.3598 115.9781 66.5849 68.1622 176.4470 34 A 4.0972 7.7672 121.2296 54.6858 18.3967 179.4510 35 V 3.7049 7.0668 116.2086 65.8580 32.3298 175.9749 36 G 4.0056 8.5808 104.2515 43.6622 0.0000 174.8961 37 S 4.2291 9.2252 113.8726 62.0191 62.8080 177.1528 38 G 4.2812 7.6048 110.2379 46.7432 0.0000 175.8199 39 G 4.1475 7.9247 108.8977 47.2007 0.0000 175.6841 40 L 4.0400 8.0814 121.5523 57.6197 41.5910 179.7906 41 S 4.2234 8.3334 115.1931 61.5822 62.5751 176.5508 42 L 3.3607 7.6009 121.6017 57.8503 41.8358 178.6173 43 L 4.1248 8.1067 118.8457 57.7689 41.2534 179.4032 44 A 4.0879 8.1225 120.5779 54.9631 18.1076 179.4749 45 A 3.9906 8.0321 118.1845 54.9097 18.5196 179.3152 46 A 3.1900 7.6060 118.5789 52.2280 18.5463 179.3092 47 G 3.7959 7.9978 104.4431 47.2718 0.0000 175.9720 48 R 4.1684 8.7612 123.9096 56.6139 30.2357 175.6671 49 E 4.6533 7.4366 118.0913 54.3985 31.5463 176.6738 50 S 4.4084 8.2565 116.6124 58.0998 65.3386 175.1287 51 I 3.8206 8.3573 122.1680 64.1920 37.5568 178.0581 52 K 3.9682 8.0800 119.8724 59.4648 32.1917 178.5516 53 A 4.0172 8.1127 121.1519 55.1979 18.2666 179.0184 54 Y 4.3769 8.3219 118.1379 61.0927 38.8630 178.3185 55 L 3.8186 8.0969 119.9081 57.4203 41.6632 179.4972 56 K 3.9032 8.2920 118.7880 59.4047 32.0212 179.2154 57 K 3.9327 8.2154 119.7677 59.4828 32.0505 178.6778 58 E 3.7401 8.0742 118.8385 59.4623 29.2772 179.4348 59 I 3.6646 7.9760 120.1432 64.1991 36.8990 178.4354 60 K 3.8969 7.9419 119.7063 59.1690 32.0573 178.5394 61 K 4.0532 7.8979 119.1448 58.7844 32.3138 178.1130 62 K 4.3171 8.4197 116.8372 54.8250 34.0152 177.8138 63 G 4.0011 7.7549 105.0782 45.4540 0.0000 174.1217 64 K 3.8208 8.7430 121.8498 59.3907 32.2325 179.0392 65 R 3.8614 8.0384 118.0242 59.6339 29.9764 178.1830 66 A 4.0701 7.9687 119.9032 55.0891 18.1722 179.6299 67 V 3.7324 7.6785 116.1845 66.1018 32.0308 177.9668 68 I 3.8950 8.1348 119.6069 64.5203 36.9596 178.2411 69 A 4.0695 8.0160 121.2533 54.7732 18.1335 177.2925 70 W 4.3575 8.6616 131.7270 57.7873 30.8343 175.4881 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 8.16 4.06 0.00 2.00 2.32 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.29 0.00 2 A 7.94 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 3.91 0.00 1.71 1.91 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 4 E 7.99 4.12 0.00 1.33 1.28 0.00 0.00 0.00 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 2.51 0.00 5 F 7.29 4.53 0.00 3.03 3.04 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 6 G 8.08 3.65 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 0.00 0.00 0.00 7 I 7.62 4.08 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.91 0.00 0.00 8 P 0.00 4.42 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 9 A 8.69 4.00 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 10 A 7.94 3.92 1.32 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 0.00 0.00 11 V 7.70 3.64 2.19 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 1.10 0.00 0.00 0.93 0.00 0.00 12 A 8.62 4.06 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 13 G 8.44 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 14 T 7.59 3.88 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 1.20 0.00 0.00 15 V 7.98 3.58 2.22 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 1.10 0.00 0.00 0.96 0.00 0.00 16 L 8.14 3.99 0.00 1.72 1.70 0.95 0.74 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 17 N 8.32 4.31 0.00 2.86 2.84 0.00 0.00 6.60 6.96 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 18 V 7.69 3.52 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 0.97 0.00 0.00 19 V 7.90 3.58 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 0.98 0.00 0.00 0.95 0.00 0.00 20 E 8.32 4.10 0.00 1.96 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 2.34 2.52 0.00 21 A 7.69 4.48 1.27 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 22 G 7.89 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.00 3.67 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 0.00 0.00 0.00 24 W 8.05 4.67 0.00 3.47 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 25 V 8.64 3.68 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 1.00 0.00 0.00 0.99 0.00 0.00 26 T 8.10 4.01 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 1.43 0.00 0.00 27 T 7.99 3.97 4.47 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 1.19 0.00 0.00 28 I 7.85 3.72 2.02 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 1.42 0.92 0.93 0.00 0.00 29 V 8.39 3.64 2.24 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 1.16 0.00 0.00 1.03 0.00 0.00 30 S 8.25 4.16 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.80 3.72 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 0.91 0.00 0.00 32 L 8.05 3.92 0.00 1.69 1.69 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.36 3.88 4.44 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 0.00 0.00 0.00 1.22 0.00 0.00 34 A 7.77 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.07 3.70 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 0.84 0.00 0.00 0.92 0.00 0.00 36 G 8.58 4.01 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 0.00 0.00 0.00 37 S 9.23 4.23 0.00 4.07 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 38 G 7.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 40 L 8.08 4.04 0.00 1.89 1.75 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.33 4.22 0.00 4.28 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.36 0.00 0.93 1.58 -0.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.11 4.12 0.00 1.90 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.12 4.09 1.43 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 0.00 0.00 0.00 45 A 8.03 3.99 1.56 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 46 A 7.61 3.19 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 47 G 8.00 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 0.00 0.00 0.00 48 R 8.76 4.17 0.00 1.79 1.97 0.00 3.18 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 49 E 7.44 4.65 0.00 2.01 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 2.28 2.20 0.00 50 S 8.26 4.41 0.00 4.08 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 51 I 8.36 3.82 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.96 0.00 0.00 52 K 8.08 3.97 0.00 1.91 1.84 0.00 1.95 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 53 A 8.11 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.38 0.00 3.06 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 55 L 8.10 3.82 0.00 1.72 1.65 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.29 3.90 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.76 7.81 57 K 8.22 3.93 0.00 1.92 2.09 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.49 7.81 58 E 8.07 3.74 0.00 1.97 1.60 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 2.08 1.80 0.00 59 I 7.98 3.66 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.93 0.00 0.00 60 K 7.94 3.90 0.00 1.83 1.97 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 61 K 7.90 4.05 0.00 1.74 1.70 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 62 K 8.42 4.32 0.00 1.67 1.74 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.24 1.30 7.81 63 G 7.75 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 64 K 8.74 3.82 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.51 7.81 65 R 8.04 3.86 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 66 A 7.97 4.07 1.38 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 67 V 7.68 3.73 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 1.04 0.00 0.00 0.88 0.00 0.00 68 I 8.13 3.89 2.07 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 1.48 1.06 0.94 0.00 0.00 69 A 8.02 4.07 1.43 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 0.00 0.00 0.00 70 W 8.66 4.36 0.00 3.43 3.41 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