NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2446 8.1233 122.4568 51.8476 20.7870 176.1105 2 D 4.1695 8.5454 120.8527 53.4860 40.1207 175.8784 3 C 4.4702 9.0532 123.4482 59.3058 40.2804 173.8389 4 A 4.7747 7.2889 118.1569 50.8316 22.5059 175.4147 5 K 4.5748 8.9987 121.8762 55.9254 34.4755 175.7466 6 G 3.8862 8.0895 114.9651 45.8852 0.0000 171.6055 7 K 4.7456 8.3384 117.6996 54.6295 33.2451 176.7099 8 I 4.1905 8.0396 122.0389 60.8384 37.3281 175.8139 9 E 4.3321 9.1454 128.8085 58.9614 30.1090 176.5085 10 F 5.2132 7.4506 112.1362 55.8426 41.2382 173.1997 11 S 5.2790 8.8273 113.4691 56.7498 66.4565 173.0520 12 K 4.5265 8.4532 121.4305 55.1744 35.8997 173.9191 13 Y 4.6340 8.5956 128.1764 56.4894 39.9265 174.6743 14 N 4.8911 8.4439 124.3347 51.5599 40.5110 176.0312 15 E 4.0058 8.6859 119.6909 59.5162 29.6119 177.9241 16 D 4.5497 7.8903 115.6725 53.1392 39.5487 176.7154 17 D 4.1105 8.1181 118.4964 54.7881 39.2018 174.0171 18 T 4.1088 7.5454 110.9181 60.8895 71.2007 173.0997 19 F 5.0974 9.1054 122.7663 56.8318 42.9124 173.3189 20 T 5.4292 8.8295 122.1687 61.9817 71.7007 173.5984 21 V 4.8351 9.0845 117.5974 59.4417 36.2438 174.3250 22 K 4.6017 8.1839 125.1670 54.6987 34.0411 175.2511 23 V 4.6609 8.5108 127.1635 61.7594 35.1616 174.9254 24 D 4.4362 9.7736 126.9910 55.5816 38.2671 174.7597 25 G 3.9346 8.4635 104.3512 45.5286 0.0000 173.9290 26 K 4.5594 7.7679 118.5225 54.3157 36.2223 174.8259 27 E 4.8584 8.5937 122.5819 55.0860 31.8190 174.8058 28 Y 5.3640 9.0422 121.2035 55.9571 42.3321 174.4165 29 W 5.5787 8.8232 119.8937 55.1261 31.8351 174.3642 30 T 4.4879 9.1581 115.6397 60.3970 70.1237 174.2664 31 S 4.3766 8.7291 121.2029 58.0744 63.9705 174.2470 32 R 4.0324 7.6574 121.9556 55.8477 29.3636 177.2283 33 W 4.3566 8.9229 125.0367 59.7526 28.8255 178.1305 34 N 4.4503 8.3053 115.8073 55.9035 37.0280 176.7307 35 L 4.2363 8.0282 120.5765 56.6608 41.6729 179.1072 36 Q 2.9582 7.6903 119.1730 58.2418 28.6380 177.1045 37 P 4.2449 0.0000 0.0000 65.7388 31.3693 178.3857 38 L 3.8137 7.7304 118.4156 57.5569 41.4945 179.2479 39 L 4.3702 8.5317 119.4440 57.8433 41.6237 179.3096 40 Q 4.1627 8.3460 119.6858 59.3491 29.0098 178.3878 41 S 4.2294 8.6138 116.5053 61.4289 62.7167 176.5630 42 A 4.0678 8.1940 123.5907 55.1647 18.0903 179.4246 43 Q 3.9738 8.4761 118.4022 59.5009 28.9642 178.5510 44 L 4.1318 8.4319 119.3680 57.1193 41.6907 178.5929 45 T 4.5317 7.7373 106.8357 60.3970 69.2300 174.5002 46 G 3.9542 7.8031 108.6483 47.1249 0.0000 174.2736 47 M 4.3655 8.1902 119.0171 55.1820 33.5675 176.0805 48 T 4.4420 8.1578 119.0844 63.3678 70.0215 174.2517 49 V 4.7120 8.9559 120.0013 59.7752 35.1098 174.9315 50 T 4.8179 8.4441 120.4807 61.9568 71.1927 173.0440 51 I 4.4684 8.3193 128.2628 59.3286 39.1947 175.1750 52 K 4.8198 7.7960 125.2138 54.9180 35.3850 175.3035 53 S 4.4241 8.2499 115.4543 57.7641 65.4218 175.6441 54 S 4.2841 9.0202 120.0117 61.0155 62.8043 175.2787 55 T 4.7199 7.5880 107.6358 60.0992 71.2414 174.1270 56 C 5.0842 8.1474 119.0281 56.6070 39.6697 174.4272 57 E 4.1879 8.0134 120.3416 56.0115 29.6958 176.3782 58 S 3.9370 8.2845 116.6067 60.0147 62.7849 174.6655 59 G 4.0884 9.0458 116.0567 45.0971 0.0000 173.8591 60 S 4.5591 8.0327 116.2793 58.4002 64.2324 173.9235 61 G 2.5440 8.2149 109.2405 44.8145 0.0000 172.4579 62 F 4.9142 7.6420 114.4299 55.7175 40.6357 174.0452 63 A 4.1651 8.4636 119.0197 52.0678 21.2583 175.9932 64 E 4.5781 8.1258 117.7237 55.4123 31.0777 175.8944 65 V 4.7057 8.1967 125.3632 60.4650 34.4942 173.1613 66 Q 4.4878 8.8314 125.6555 54.2859 31.6364 174.0816 67 F 4.9498 8.7712 124.3852 56.2017 40.1205 174.7696 68 N 5.0534 9.1188 121.9279 51.9307 40.8736 175.9275 69 N 4.4383 8.8817 117.1045 53.5712 39.7164 175.2220 70 D 4.5500 7.9306 122.4459 53.2583 39.7186 176.0696 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 A 8.12 4.24 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 2 D 8.55 4.17 0.00 2.60 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 3 C 9.05 4.47 0.00 2.47 2.75 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 0.00 0.00 0.00 0.00 4 A 7.29 4.77 1.10 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 0.00 0.00 5 K 9.00 4.57 0.00 1.56 1.61 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.30 7.81 6 G 8.09 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 7 K 8.34 4.75 0.00 1.76 1.76 0.00 2.01 0.00 0.00 2.36 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 I 8.04 4.19 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 1.05 0.00 0.00 9 E 9.15 4.33 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 10 F 7.45 5.21 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.83 5.28 0.00 3.65 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 12 K 8.45 4.53 0.00 1.85 1.64 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.36 7.81 13 Y 8.60 4.63 0.00 3.28 2.94 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 14 N 8.44 4.89 0.00 2.79 2.59 0.00 0.00 6.62 7.72 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 15 E 8.69 4.01 0.00 1.94 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 2.35 2.31 0.00 16 D 7.89 4.55 0.00 2.65 2.63 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 17 D 8.12 4.11 0.00 2.76 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 18 T 7.55 4.11 4.48 0.00 0.00 0.00 0.00 0.00 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 19 F 9.11 5.10 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.83 5.43 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 1.31 0.00 0.00 21 V 9.08 4.84 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.18 4.60 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.10 1.25 7.81 23 V 8.51 4.66 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 0.90 0.00 0.00 0.84 0.00 0.00 24 D 9.77 4.44 0.00 2.86 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 25 G 8.46 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 26 K 7.77 4.56 0.00 1.56 1.13 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.32 7.81 27 E 8.59 4.86 0.00 1.79 1.81 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 2.04 2.17 0.00 28 Y 9.04 5.36 0.00 2.64 2.71 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 29 W 8.82 5.58 0.00 3.47 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.16 4.49 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 1.07 0.00 0.00 31 S 8.73 4.38 0.00 3.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.03 0.00 1.73 2.17 0.00 3.29 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 33 W 8.92 4.36 0.00 3.41 3.22 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 34 N 8.31 4.45 0.00 2.91 3.02 0.00 0.00 6.06 7.79 0.00 0.00 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 L 8.03 4.24 0.00 1.82 1.85 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.69 2.96 0.00 1.97 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.91 2.42 0.00 37 P 0.00 4.24 0.00 2.22 2.29 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 38 L 7.73 3.81 0.00 1.85 1.18 0.91 0.52 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 39 L 8.53 4.37 0.00 1.81 2.09 1.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.35 4.16 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 41 S 8.61 4.23 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.19 4.07 1.67 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 43 Q 8.48 3.97 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 44 L 8.43 4.13 0.00 1.81 1.76 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.74 4.53 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 1.23 0.00 0.00 46 G 7.80 3.95 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 0.00 0.00 0.00 47 M 8.19 4.37 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 48 T 8.16 4.44 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 1.20 0.00 0.00 49 V 8.96 4.71 1.75 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 0.75 0.00 0.00 0.87 0.00 0.00 50 T 8.44 4.82 4.09 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 0.00 0.00 0.00 1.08 0.00 0.00 51 I 8.32 4.47 1.13 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.51 -0.26 0.00 0.00 52 K 7.80 4.82 0.00 1.59 1.64 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.20 7.81 53 S 8.25 4.42 0.00 3.76 3.72 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 54 S 9.02 4.28 0.00 3.88 3.92 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 55 T 7.59 4.72 4.48 0.00 0.00 0.00 0.00 0.00 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 56 C 8.15 5.08 0.00 3.07 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 57 E 8.01 4.19 0.00 2.10 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 2.41 2.38 0.00 58 S 8.28 3.94 0.00 3.67 3.68 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 59 G 9.05 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.03 4.56 0.00 4.07 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 61 G 8.21 2.54 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 62 F 7.64 4.91 0.00 2.94 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 63 A 8.46 4.17 1.14 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 0.00 0.00 64 E 8.13 4.58 0.00 2.04 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 2.28 2.27 0.00 65 V 8.20 4.71 2.06 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 0.71 0.00 0.00 0.36 0.00 0.00 66 Q 8.83 4.49 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 67 F 8.77 4.95 0.00 3.00 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 68 N 9.12 5.05 0.00 2.74 2.92 0.00 0.00 6.56 7.78 0.00 0.00 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 N 8.88 4.44 0.00 2.72 2.87 0.00 0.00 6.83 8.06 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 70 D 7.93 4.55 0.00 2.76 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