NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.8534 8.2833 119.2093 53.6769 41.3289 176.4119 11 L 3.7710 7.9645 117.9403 57.1310 41.6784 177.5843 12 Q 3.9097 8.8865 120.1514 59.2389 29.1458 178.2623 13 K 3.6888 7.5495 119.3899 58.6835 31.8913 179.1936 14 A 3.6313 7.5280 121.2047 55.1029 18.1459 179.8297 15 I 3.6407 7.2486 117.7155 64.5021 37.2264 178.1667 16 D 4.1731 7.9724 119.7224 57.3687 40.4743 178.8290 17 L 3.9397 8.1045 119.3926 57.1801 41.5896 179.1457 18 A 3.8083 7.8941 120.8343 54.6617 18.3289 179.9783 19 S 4.0270 8.6080 114.5749 61.6550 62.8620 176.7357 20 K 3.8489 7.7186 122.2121 59.1031 31.7017 178.7131 21 A 3.4704 7.4746 120.9131 55.0351 18.1249 179.5623 22 A 4.5529 7.4052 120.3491 54.8333 18.3650 179.5633 23 Q 3.9342 8.1930 118.1820 59.3231 28.9438 178.3569 24 E 4.0094 7.8305 119.5676 58.7959 29.3315 178.4373 25 D 4.4775 7.6014 117.6803 57.4299 41.4005 178.1495 26 K 4.2031 7.7918 117.4620 58.9820 32.2522 178.9173 27 A 4.1394 7.5420 120.4653 54.8794 18.3450 177.0674 28 G 3.1946 7.8416 109.3323 45.6778 0.0000 174.2539 29 N 4.2461 7.4557 117.1984 53.8144 39.4939 173.7471 30 Y 4.9561 8.3344 114.9208 59.2161 42.4626 177.3579 31 E 3.9896 8.6028 119.7444 59.4772 29.9002 178.6307 32 E 3.9708 8.1661 116.8491 59.2538 29.7560 178.6658 33 A 3.8103 7.8404 121.3713 54.4993 18.4557 179.2299 34 L 4.1869 8.6553 119.4089 58.6289 42.2588 179.2797 35 Q 3.9771 7.8696 118.1155 58.9825 28.6007 178.8062 36 L 3.9855 7.8101 119.7031 57.6000 41.6311 179.0883 37 Y 4.1906 8.0324 116.9317 61.3301 37.8665 178.7095 38 Q 4.1370 8.0752 118.4000 59.3273 28.7143 178.6470 39 H 4.3089 8.3187 116.9309 58.8423 28.6586 177.6417 40 A 3.9864 8.5767 122.7967 55.4074 18.3153 179.9259 41 V 3.9729 8.2531 116.7608 66.2886 31.5391 178.1567 42 Q 4.1092 8.4207 118.1006 59.3003 28.5342 178.4735 43 Y 3.9200 8.1048 117.7422 60.6529 37.6979 178.2614 44 F 4.2836 8.0590 119.0004 60.7930 39.0986 177.5572 45 L 4.1351 8.2252 119.6935 57.9907 41.6926 178.3364 46 H 4.1138 8.2356 118.5795 59.5296 29.7021 177.7144 47 V 3.7796 7.9914 114.1588 64.4245 31.1267 178.8079 48 V 3.9343 7.4910 118.7206 65.4534 31.4293 178.0138 49 K 4.1928 8.3946 117.7025 58.3721 31.9078 177.2798 50 Y 4.6377 7.2411 115.8903 57.2229 38.9629 175.7611 51 E 4.9309 7.4023 116.5787 55.6288 31.9554 172.8464 52 A 4.6837 8.1507 122.9729 49.9520 19.6765 176.7306 53 Q 4.1515 8.5326 122.7679 58.7763 29.6307 176.6059 54 G 4.1451 7.3713 105.1566 43.7864 0.0000 171.3651 55 D 4.2132 8.6111 116.0876 56.4879 41.5256 179.3076 56 K 3.9703 8.0238 118.5819 59.2575 32.1098 178.9610 57 A 4.0076 7.8917 120.4433 55.2921 18.5267 179.7926 58 K 4.0293 7.6286 116.6826 59.5907 32.1920 179.7337 59 Q 4.0197 8.7090 118.8946 58.5714 28.5540 178.6686 60 S 4.0092 7.9457 114.1681 61.3262 62.5366 176.1198 61 I 3.1389 7.5561 115.7305 63.8454 37.2522 178.2406 62 R 3.8076 8.0209 119.4308 59.0923 29.8659 178.8787 63 A 3.9538 7.7398 119.9149 55.1569 18.3102 179.7995 64 K 3.6470 8.0051 116.8903 59.3895 32.1170 179.4189 65 C 4.3585 8.2708 117.6414 62.8056 27.9188 176.3199 66 T 3.8754 7.7231 117.2255 66.4180 67.9890 176.4725 67 E 3.7699 7.6309 121.2735 59.5597 29.7490 178.5638 68 Y 4.1006 7.5880 116.6379 61.0588 37.9629 178.3854 69 L 4.0544 8.1173 119.9529 57.7326 41.6648 179.2667 70 D 4.3119 8.4201 119.3020 57.5177 40.8020 179.0795 71 R 3.7917 7.5609 118.3078 58.9731 29.9859 178.9436 72 A 3.9959 7.5681 120.2209 55.3373 18.3135 179.4174 73 E 3.9455 8.2081 117.7403 58.9305 29.5869 179.0288 74 K 3.9195 8.0790 119.9684 59.4465 32.3639 178.8642 75 L 3.9600 8.4260 119.6193 57.7286 41.4173 179.4053 76 K 4.0672 8.2099 119.5279 59.4318 31.9629 178.7796 77 E 3.9467 8.0397 118.8132 59.6983 29.3768 178.6032 78 Y 3.7234 8.2152 118.4561 60.6355 38.8208 177.8778 79 L 3.9122 8.3344 119.7543 57.4373 41.8046 179.0208 80 K 4.1422 7.6309 117.3026 58.4162 32.3335 177.0553 81 N 4.5626 8.6563 121.9840 53.7564 39.0612 174.3597 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 10 N 8.28 4.85 0.00 2.87 2.96 0.00 0.00 7.19 5.42 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 11 L 7.96 3.77 0.00 1.80 1.68 0.95 0.60 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 12 Q 8.89 3.91 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 13 K 7.55 3.69 0.00 1.39 0.74 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.03 1.08 7.81 14 A 7.53 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.25 3.64 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 0.92 0.00 0.00 16 D 7.97 4.17 0.00 2.67 2.59 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 0.00 0.00 0.00 17 L 8.10 3.94 0.00 1.59 1.60 0.45 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.89 3.81 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 19 S 8.61 4.03 0.00 3.93 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 20 K 7.72 3.85 0.00 1.84 1.67 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.77 7.81 21 A 7.47 3.47 0.59 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 0.00 0.00 0.00 0.00 0.00 22 A 7.41 4.55 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 3.93 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 24 E 7.83 4.01 0.00 2.09 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 2.24 2.27 0.00 25 D 7.60 4.48 0.00 2.92 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 26 K 7.79 4.20 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.64 7.81 27 A 7.54 4.14 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 28 G 7.84 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.46 4.25 0.00 2.69 2.78 0.00 0.00 6.59 7.35 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 30 Y 8.33 4.96 0.00 3.07 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 31 E 8.60 3.99 0.00 2.07 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 2.44 2.36 0.00 32 E 8.17 3.97 0.00 2.15 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 0.00 2.31 2.26 0.00 33 A 7.84 3.81 1.40 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 0.00 0.00 0.00 34 L 8.66 4.19 0.00 1.98 1.96 1.06 0.69 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 35 Q 7.87 3.98 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 36 L 7.81 3.99 0.00 1.61 1.69 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.03 4.19 0.00 3.32 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 38 Q 8.08 4.14 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 39 H 8.32 4.31 0.00 3.42 3.43 0.00 5.64 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 40 A 8.58 3.99 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 41 V 8.25 3.97 2.26 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 1.19 0.00 0.00 1.22 0.00 0.00 42 Q 8.42 4.11 0.00 2.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 43 Y 8.10 3.92 0.00 3.06 2.88 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 44 F 8.06 4.28 0.00 3.35 3.10 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 0.00 0.00 0.00 45 L 8.23 4.14 0.00 1.91 1.76 0.98 1.03 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 46 H 8.24 4.11 0.00 3.42 3.40 0.00 5.84 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 47 V 7.99 3.78 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 0.85 0.00 0.00 1.17 0.00 0.00 48 V 7.49 3.93 2.30 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 0.97 0.00 0.00 1.10 0.00 0.00 49 K 8.39 4.19 0.00 2.18 1.73 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.73 7.81 50 Y 7.24 4.64 0.00 2.77 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.40 4.93 0.00 2.06 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 2.12 2.18 0.00 52 A 8.15 4.68 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 53 Q 8.53 4.15 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 54 G 7.37 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 D 8.61 4.21 0.00 2.80 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 56 K 8.02 3.97 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 57 A 7.89 4.01 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 58 K 7.63 4.03 0.00 1.65 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 59 Q 8.71 4.02 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 60 S 7.95 4.01 0.00 4.10 3.82 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 61 I 7.56 3.14 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 1.04 0.00 0.00 62 R 8.02 3.81 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 63 A 7.74 3.95 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 64 K 8.01 3.65 0.00 1.71 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.29 7.81 65 C 8.27 4.36 0.00 3.13 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 66 T 7.72 3.88 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 67 E 7.63 3.77 0.00 1.86 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 2.10 2.21 0.00 68 Y 7.59 4.10 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.05 0.00 1.94 1.73 0.97 0.91 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 70 D 8.42 4.31 0.00 2.78 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 71 R 7.56 3.79 0.00 1.42 1.62 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 72 A 7.57 4.00 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 73 E 8.21 3.95 0.00 2.19 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 2.31 2.32 0.00 74 K 8.08 3.92 0.00 2.00 1.83 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 75 L 8.43 3.96 0.00 1.75 1.77 1.25 0.46 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 76 K 8.21 4.07 0.00 2.06 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.67 7.81 77 E 8.04 3.95 0.00 2.23 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 2.34 2.53 0.00 78 Y 8.22 3.72 0.00 2.88 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 79 L 8.33 3.91 0.00 1.87 1.73 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.63 4.14 0.00 1.79 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81 81 N 8.66 4.56 0.00 2.79 2.64 0.00 0.00 7.03 5.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00