NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.3146 8.3293 119.6877 55.5505 31.0182 175.0879 13 R 4.4689 8.5307 114.4745 53.2085 31.8182 174.4496 14 P 4.1858 0.0000 0.0000 66.2773 32.3433 180.0187 15 L 3.9940 8.0143 116.7128 57.9893 41.4722 179.2413 16 D 4.4479 8.3298 118.7365 57.1114 40.4728 178.5466 17 A 4.0291 7.8028 120.7109 54.8388 18.5721 179.3670 18 L 3.8738 7.5832 117.5679 57.6821 41.4171 179.6164 19 G 3.8940 7.6860 105.2393 47.7549 0.0000 174.7097 20 N 4.7129 7.8716 115.8611 54.1306 39.1303 176.3516 21 S 4.5841 7.8324 116.5774 57.1803 63.5555 173.8562 22 L 4.3541 7.0505 122.9642 56.2547 41.7926 177.0973 23 N 4.3595 9.3706 119.0882 53.8377 37.0995 174.2080 24 S 4.9811 7.8560 115.1300 56.0821 65.6567 171.8989 25 P 4.9879 0.0000 0.0000 63.1379 32.2946 175.7051 26 V 4.8172 8.9773 114.2001 59.9626 36.9833 174.1175 27 I 4.9809 8.9182 122.8513 59.7152 40.1700 174.7916 28 I 4.9151 9.1796 128.0932 59.3183 40.1197 174.3189 29 K 4.7256 8.2820 128.5163 54.5101 34.4806 175.3016 30 L 5.0416 8.7174 127.1774 52.4733 44.9110 176.1078 31 K 4.1856 8.7152 120.8835 58.2257 32.2447 178.1737 32 G 3.8410 8.6295 111.3010 44.7565 0.0000 173.6898 33 D 4.5022 7.9779 117.6570 54.4099 39.2135 174.1800 34 R 4.0448 7.5521 120.0527 56.4283 31.5207 174.8126 35 E 5.0545 8.0609 123.0572 54.4328 33.5999 174.2170 36 F 5.3054 9.3795 123.4462 55.7762 43.5471 174.0988 37 R 5.0627 8.6960 120.0680 54.6790 34.2430 175.1098 38 G 4.2448 8.2112 108.0330 46.3738 0.0000 171.3832 39 V 4.6993 8.0090 120.3445 61.2756 33.2196 175.3541 40 L 4.3416 8.7893 130.9629 55.3977 42.2773 177.0090 41 K 4.5997 8.9110 126.4051 57.7644 34.3162 176.2972 42 S 4.8123 7.8230 112.1403 58.0254 65.9786 173.8266 43 F 5.3556 7.8847 114.0703 56.4461 40.4186 172.2329 44 D 4.9236 8.6305 119.1812 50.7966 42.0214 176.6058 45 L 4.1884 8.3926 118.2825 58.3053 39.9386 177.3423 46 H 4.5572 8.3394 115.7605 55.6518 29.1067 175.4668 47 M 3.2694 8.4908 118.4580 56.2552 29.9185 176.6456 48 N 4.8864 8.3850 116.1313 53.6375 39.9167 174.3055 49 L 5.3362 8.9265 120.6814 53.1861 46.9966 175.3206 50 V 4.8081 8.7893 120.7560 61.2223 34.2847 174.4043 51 L 5.3054 8.9101 127.3876 53.1529 44.9642 175.1984 52 N 5.2018 8.9897 118.7677 51.6064 42.0344 174.1704 53 D 4.4272 8.5790 117.4604 55.3547 38.9260 173.9785 54 A 4.8275 7.7755 119.0096 51.7540 20.6961 177.5768 55 E 5.1259 9.2196 119.0676 54.5693 33.8334 174.4056 56 E 4.5828 9.3710 125.3590 54.7538 31.7230 174.6399 57 L 5.1506 8.5818 126.3558 52.9653 45.7780 175.5089 58 E 4.4467 8.6642 120.8046 56.0975 32.7597 175.8713 59 D 4.4235 9.9842 122.8248 55.2318 38.6500 174.8314 60 G 3.9346 8.5698 105.5427 45.1293 0.0000 173.4852 61 E 4.5863 8.2119 121.1300 53.5299 31.9114 175.2249 62 V 4.0747 8.3489 125.5969 63.7402 31.9533 175.4889 63 T 4.3613 9.1645 125.2649 65.4070 69.7373 175.1450 64 R 4.6040 7.6535 118.7308 55.3148 33.6991 173.6892 65 R 4.9929 8.6158 123.5135 54.8708 31.1533 175.7490 66 L 4.3879 9.2528 124.3668 53.2559 43.8083 178.9547 67 G 3.9375 8.2947 106.7051 46.3235 0.0000 173.4812 68 T 4.8658 8.4084 121.4978 63.1637 69.2760 174.3516 69 V 4.4864 8.7546 124.8023 59.8541 35.3606 173.7632 70 L 4.9694 8.4879 124.8073 53.5259 43.8684 175.1318 71 I 4.3520 8.4463 127.6373 59.2916 39.6317 175.5716 72 R 4.4862 8.5138 126.5404 55.7407 30.8291 178.1062 73 G 3.7063 9.6220 111.6241 47.8595 0.0000 175.2496 74 D 4.2877 8.1246 118.3968 56.7030 41.4910 176.2632 75 N 4.7429 7.8914 115.1656 53.0436 39.0364 174.5286 76 I 4.2355 7.6243 121.0766 61.1512 37.9467 175.8280 77 V 4.1176 8.8740 126.5042 65.2189 32.1340 175.3566 78 Y 5.0096 7.2310 116.0604 55.9277 41.5613 173.4423 79 I 5.0595 8.5129 120.2443 59.8558 40.1545 174.8127 80 S 4.8578 9.5981 122.2655 56.5992 65.2874 174.7151 81 R 4.2330 8.8826 122.8742 55.4256 30.8137 178.4281 82 G 3.8836 8.1494 107.6430 45.5103 0.0000 172.7493 83 K 4.6819 8.2038 116.7241 54.1922 35.8021 175.8522 84 L 4.1263 8.2002 119.9975 55.4257 42.4858 177.3395 85 A 4.0033 8.4643 121.9197 52.8203 18.3453 178.0174 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 12 Q 8.33 4.31 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 13 R 8.53 4.47 0.00 1.98 2.04 0.00 2.82 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.13 0.00 14 P 0.00 4.19 0.00 2.17 2.16 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 L 8.01 3.99 0.00 1.74 1.87 0.96 1.23 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 16 D 8.33 4.45 0.00 2.77 2.73 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 17 A 7.80 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.58 3.87 0.00 1.14 0.13 0.53 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.87 4.71 0.00 2.72 2.87 0.00 0.00 6.98 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 21 S 7.83 4.58 0.00 3.92 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 22 L 7.05 4.35 0.00 1.69 1.68 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.37 4.36 0.00 2.86 2.98 0.00 0.00 6.93 7.70 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 24 S 7.86 4.98 0.00 3.92 3.76 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 25 P 0.00 4.99 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 26 V 8.98 4.82 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 0.86 0.00 0.00 1.03 0.00 0.00 27 I 8.92 4.98 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 1.05 0.00 0.00 28 I 9.18 4.92 2.05 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 1.19 1.00 0.93 0.00 0.00 29 K 8.28 4.73 0.00 1.13 0.74 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.85 1.05 7.81 30 L 8.72 5.04 0.00 1.62 1.69 1.14 0.65 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 31 K 8.72 4.19 0.00 1.70 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.58 7.81 32 G 8.63 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 0.00 0.00 0.00 33 D 7.98 4.50 0.00 2.85 2.81 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 34 R 7.55 4.04 0.00 1.88 1.82 0.00 3.57 0.00 0.00 3.82 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.00 35 E 8.06 5.05 0.00 1.95 1.66 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 2.11 2.28 0.00 36 F 9.38 5.31 0.00 3.03 2.93 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 37 R 8.70 5.06 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 G 8.21 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 0.00 0.00 0.00 0.00 39 V 8.01 4.70 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 1.06 0.00 0.00 0.95 0.00 0.00 40 L 8.79 4.34 0.00 1.85 1.73 1.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.91 4.60 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.66 7.81 42 S 7.82 4.81 0.00 3.77 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 43 F 7.88 5.36 0.00 3.13 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 44 D 8.63 4.92 0.00 2.89 2.77 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 0.00 0.00 0.00 45 L 8.39 4.19 0.00 1.73 1.83 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.34 4.56 0.00 3.45 3.39 0.00 5.92 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 M 8.49 3.27 0.00 2.17 2.23 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 2.56 2.53 0.00 48 N 8.39 4.89 0.00 2.98 2.74 0.00 0.00 6.79 6.06 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 49 L 8.93 5.34 0.00 1.54 1.53 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.79 4.81 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 1.12 0.00 0.00 0.92 0.00 0.00 51 L 8.91 5.31 0.00 1.60 1.54 0.96 0.80 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 52 N 8.99 5.20 0.00 2.62 2.70 0.00 0.00 7.27 8.75 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 53 D 8.58 4.43 0.00 2.79 2.73 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 54 A 7.78 4.83 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 55 E 9.22 5.13 0.00 1.89 1.80 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 2.23 2.25 0.00 56 E 9.37 4.58 0.00 2.04 1.76 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 2.00 1.53 0.00 57 L 8.58 5.15 0.00 1.48 1.42 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.66 4.45 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 59 D 9.98 4.42 0.00 2.71 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 60 G 8.57 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 0.00 0.00 0.00 61 E 8.21 4.59 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 62 V 8.35 4.07 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 0.88 0.00 0.00 0.97 0.00 0.00 63 T 9.16 4.36 4.30 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 1.18 0.00 0.00 64 R 7.65 4.60 0.00 1.87 1.73 0.00 3.17 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 65 R 8.62 4.99 0.00 1.73 1.85 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 66 L 9.25 4.39 0.00 1.54 1.73 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.29 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 0.00 0.00 0.00 68 T 8.41 4.87 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 1.29 0.00 0.00 69 V 8.75 4.49 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 0.67 0.00 0.00 0.74 0.00 0.00 70 L 8.49 4.97 0.00 1.60 1.54 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.45 4.35 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.24 0.74 0.00 0.00 72 R 8.51 4.49 0.00 1.85 1.83 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.62 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.12 4.29 0.00 2.65 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 75 N 7.89 4.74 0.00 2.74 2.82 0.00 0.00 6.86 7.36 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 76 I 7.62 4.24 2.01 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 1.17 0.60 0.94 0.00 0.00 77 V 8.87 4.12 2.02 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 0.87 0.00 0.00 0.95 0.00 0.00 78 Y 7.23 5.01 0.00 2.97 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 79 I 8.51 5.06 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.91 0.00 0.00 80 S 9.60 4.86 0.00 3.75 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 81 R 8.88 4.23 0.00 1.82 1.94 0.00 3.39 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 82 G 8.15 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 0.00 0.00 0.00 83 K 8.20 4.68 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.34 7.81 84 L 8.20 4.13 0.00 1.63 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.46 4.00 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00