NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0884 8.0393 120.3088 60.7836 32.7424 175.1431 6 P 4.3574 0.0000 0.0000 62.6639 32.2171 174.1074 7 T 4.6021 7.8441 115.2014 62.4784 73.3492 174.3436 8 S 4.7631 8.2198 119.5589 56.5983 64.8050 174.0146 9 V 4.2160 7.7416 120.8055 60.1358 33.3732 171.3021 10 P 4.4961 0.0000 0.0000 62.9300 32.8762 175.1033 11 T 3.6396 8.3829 113.3752 63.1202 67.4127 171.7762 12 N 4.6455 8.6253 120.7953 53.5042 38.7673 175.4029 13 Q 4.0088 8.8419 123.3963 55.5313 29.4905 176.7006 14 S 4.3041 8.7396 117.7963 60.7138 63.3404 174.7907 15 V 4.5106 7.3945 119.2170 58.8059 33.3453 174.6044 16 W 4.6607 8.6321 121.9437 54.4216 32.2322 175.7549 17 G 3.8716 8.8274 109.6249 45.7213 0.0000 174.0148 18 N 4.9433 8.5842 127.5475 52.6149 39.1790 175.8254 19 V 4.3618 7.7604 117.6012 60.0515 34.1036 176.3310 20 S 4.7794 8.2248 119.2157 57.0138 62.7867 174.2595 21 T 3.8343 7.3740 116.8284 68.3393 69.1140 176.8339 22 G 3.7741 8.1093 111.2753 47.6557 0.0000 175.3150 23 L 4.0712 7.8461 121.1062 57.8807 41.6493 178.9566 24 D 4.4164 8.1358 118.4681 57.2879 40.5203 178.6280 25 A 4.0208 7.4676 119.3123 54.9888 18.6228 179.5732 26 L 4.1823 7.8295 117.5284 58.2360 41.8959 179.4337 27 I 3.8620 8.3206 120.4071 64.6987 36.9451 178.5469 28 S 4.3157 8.6462 115.4032 61.4269 62.7712 176.8076 29 G 3.6253 8.2336 109.3471 47.4188 0.0000 175.7381 30 W 4.0683 8.3961 120.6059 59.4388 28.7292 178.3586 31 A 4.1371 8.3100 120.8701 55.0513 17.7183 179.9926 32 R 3.9702 8.4108 117.5234 59.3774 30.2071 179.6376 33 V 3.6810 7.8726 118.9068 64.6043 31.3684 178.3157 34 E 4.0273 8.0712 119.4015 59.4705 29.3002 179.2515 35 Q 4.0842 7.8717 116.8488 58.7538 28.5732 178.7772 36 I 3.7646 7.5589 120.8404 64.2149 37.2444 178.5501 37 K 3.9742 8.1960 119.2025 59.4405 31.7468 179.3285 38 A 4.0462 8.2204 120.8286 54.8810 18.0229 179.5516 39 A 3.9760 7.8401 118.8770 55.1416 18.8072 179.7843 40 K 4.0625 7.9412 116.8867 59.5934 32.0030 179.5338 41 A 4.1253 7.7579 119.4561 54.5696 18.3415 179.1842 42 S 4.2977 7.7401 111.3844 59.5488 63.7075 174.2746 43 T 4.7334 7.2660 118.7773 60.8989 71.8634 175.2307 44 G 3.6230 8.5545 110.1495 47.8806 0.0000 176.1523 45 Q 4.1486 8.1393 119.9545 58.5831 28.3224 178.6682 46 G 3.5976 7.8765 107.3661 47.7543 0.0000 176.1381 47 R 4.0600 7.9213 120.2499 58.9161 29.9731 179.2999 48 V 3.7399 7.3983 118.0504 64.5527 31.2701 178.0913 49 E 4.1032 7.9723 119.7050 59.4240 28.7932 179.1510 50 Q 4.0735 7.8919 116.2862 58.3292 28.5404 178.2778 51 A 4.1285 7.5060 120.2361 54.8587 18.4449 178.5458 52 M 4.1215 7.6319 115.7878 57.5928 32.3779 176.6073 53 T 4.3524 7.3789 115.3857 61.4683 69.4556 172.7010 54 P 4.7261 0.0000 0.0000 61.1043 33.6660 174.5373 55 E 4.4939 8.4245 117.1125 54.6118 30.2308 175.1193 56 L 4.7905 7.8995 122.3110 52.6629 46.0502 175.7842 57 D 4.6464 8.3263 119.7013 53.9305 41.4392 176.2172 58 N 4.5911 8.4868 117.7324 53.2740 39.1573 175.0156 59 G 4.0691 8.4341 108.7351 43.7369 0.0000 172.8022 60 A 4.6668 8.3348 125.1274 50.3765 21.5285 175.3924 61 A 4.7534 7.7979 120.8451 51.1249 22.3018 176.2111 62 V 4.3344 7.9750 115.4584 61.1285 33.6410 172.8267 63 V 4.4810 8.1478 121.1154 61.0376 33.7507 172.9664 64 V 4.2788 8.0456 119.4291 61.2237 33.7912 172.0991 65 E 4.0873 8.7260 116.8460 55.4818 28.0998 175.4599 66 A 4.5486 8.2440 122.5519 50.0133 19.5775 174.7983 67 P 4.4559 0.0000 0.0000 63.7707 31.7109 176.2020 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 5 V 8.04 4.09 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 0.91 0.00 0.00 0.92 0.00 0.00 6 P 0.00 4.36 0.00 2.27 2.08 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 7 T 7.84 4.60 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 1.17 0.00 0.00 8 S 8.22 4.76 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 9 V 7.74 4.22 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 0.59 0.00 0.00 0.89 0.00 0.00 10 P 0.00 4.50 0.00 2.21 2.14 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 T 8.38 3.64 4.25 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 1.23 0.00 0.00 12 N 8.63 4.65 0.00 2.79 2.98 0.00 0.00 6.99 7.69 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 13 Q 8.84 4.01 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 14 S 8.74 4.30 0.00 3.97 3.98 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 15 V 7.39 4.51 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 0.71 0.00 0.00 0.95 0.00 0.00 16 W 8.63 4.66 0.00 3.23 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 17 G 8.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.58 4.94 0.00 2.75 2.86 0.00 0.00 7.05 7.68 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 19 V 7.76 4.36 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 0.80 0.00 0.00 0.95 0.00 0.00 20 S 8.22 4.78 0.00 4.09 4.03 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 21 T 7.37 3.83 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 1.22 0.00 0.00 22 G 8.11 3.77 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 0.00 0.00 0.00 23 L 7.85 4.07 0.00 1.75 1.72 0.93 1.11 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 24 D 8.14 4.42 0.00 2.92 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 25 A 7.47 4.02 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 26 L 7.83 4.18 0.00 1.98 1.95 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.32 3.86 2.07 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 1.49 1.01 0.93 0.00 0.00 28 S 8.65 4.32 0.00 4.06 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 29 G 8.23 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.07 0.00 3.56 3.31 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 0.00 0.00 0.00 0.00 31 A 8.31 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.41 3.97 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 33 V 7.87 3.68 1.95 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 0.80 0.00 0.00 0.84 0.00 0.00 34 E 8.07 4.03 0.00 2.24 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 0.00 2.40 2.61 0.00 35 Q 7.87 4.08 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 36 I 7.56 3.76 2.01 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 1.51 1.46 0.89 0.00 0.00 37 K 8.20 3.97 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 38 A 8.22 4.05 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 39 A 7.84 3.98 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 40 K 7.94 4.06 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 41 A 7.76 4.13 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 42 S 7.74 4.30 0.00 3.99 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 43 T 7.27 4.73 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 1.23 0.00 0.00 44 G 8.55 3.62 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 0.00 0.00 0.00 45 Q 8.14 4.15 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 46 G 7.88 3.60 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 0.00 0.00 0.00 47 R 7.92 4.06 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 48 V 7.40 3.74 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 0.78 0.00 0.00 0.93 0.00 0.00 49 E 7.97 4.10 0.00 2.15 2.03 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 2.32 2.48 0.00 50 Q 7.89 4.07 0.00 2.27 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 2.37 2.53 0.00 51 A 7.51 4.13 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 52 M 7.63 4.12 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.51 0.00 53 T 7.38 4.35 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 54 P 0.00 4.73 0.00 2.16 2.05 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 55 E 8.42 4.49 0.00 1.93 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 2.19 2.28 0.00 56 L 7.90 4.79 0.00 1.54 1.53 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.33 4.65 0.00 2.67 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 58 N 8.49 4.59 0.00 2.69 2.75 0.00 0.00 6.66 7.65 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 59 G 8.43 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.33 4.67 1.23 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 0.00 0.00 61 A 7.80 4.75 1.19 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 62 V 7.97 4.33 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 0.69 0.00 0.00 0.93 0.00 0.00 63 V 8.15 4.48 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 0.69 0.00 0.00 0.93 0.00 0.00 64 V 8.05 4.28 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 0.67 0.00 0.00 0.93 0.00 0.00 65 E 8.73 4.09 0.00 2.04 2.31 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 0.00 2.14 2.17 0.00 66 A 8.24 4.55 1.22 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 0.00 0.00 67 P 0.00 4.46 0.00 2.18 2.03 0.00 3.80 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 1.94 1.94 0.00