NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6290 8.0033 121.7003 57.6452 38.8480 175.0301 12 Q 3.9592 7.9824 127.4618 56.4020 29.4936 174.5824 13 T 4.0183 7.0472 112.4194 60.1843 71.3989 172.7962 14 A 3.8073 8.3870 127.3115 52.2000 18.4753 176.1755 15 P 4.7028 0.0000 0.0000 61.1755 33.0071 175.5129 16 F 4.2557 8.6964 120.6696 58.3271 39.7336 173.9414 17 D 4.5950 7.5547 126.4570 51.8162 41.9308 175.6878 18 S 3.7096 8.4605 122.3872 61.2641 62.7800 176.6076 19 R 3.8398 7.6349 116.1205 57.8543 29.6054 176.7897 20 F 4.8488 8.2837 117.8525 55.1642 38.6205 172.9466 21 P 4.8175 0.0000 0.0000 62.7210 31.9742 176.1293 22 N 5.1143 7.7160 116.4470 51.0815 41.5136 174.9170 23 Q 3.8364 8.7659 120.4970 59.2143 28.9984 176.6634 24 N 4.6595 7.7607 115.5998 52.8983 38.4522 174.3463 25 Q 4.4995 8.5553 124.4692 56.2158 30.1070 177.9252 26 T 4.2153 8.4307 116.6503 67.3057 68.4387 176.1559 27 R 4.2538 8.1811 118.8724 58.7807 30.2837 178.4997 28 N 3.1400 8.2386 117.7356 56.1487 38.9165 175.9349 29 C 4.3375 8.1636 119.3031 59.5107 41.8120 175.0674 30 W 4.1321 8.3272 129.3270 60.5447 30.3540 177.2873 31 Q 3.8787 8.8447 120.1205 59.6115 28.4982 178.4368 32 N 4.1893 7.9509 116.7053 56.4043 38.4564 176.7366 33 Y 3.5010 8.0652 120.8904 60.4079 38.6493 178.3970 34 L 3.7157 7.5523 119.7388 57.7543 41.6758 178.7747 35 D 4.2555 8.2110 119.1643 57.6362 40.6385 178.6728 36 F 4.4892 8.6938 120.9045 62.1083 39.4623 176.8272 37 H 3.4091 7.7177 115.5425 58.5693 28.3459 178.2428 38 R 3.8328 8.0710 120.2853 59.3376 29.9816 178.5802 39 C 4.0983 8.2973 118.7063 62.3579 31.3866 174.9241 40 E 3.7034 8.1380 121.5790 58.5251 29.1541 178.2838 41 K 3.7192 7.9859 119.2432 59.8319 32.0306 177.9343 42 A 3.9314 7.8151 119.2448 55.7664 18.5373 178.9518 43 M 4.0977 7.8760 115.5949 58.9190 31.9359 179.1291 44 T 3.8312 7.8675 114.2824 66.2610 69.2878 175.8238 45 A 4.4445 8.0496 121.7859 51.4327 18.7321 176.7314 46 K 4.0695 8.1031 126.2854 56.2125 35.7863 173.5228 47 G 3.8993 8.2269 111.3395 43.5827 0.0000 174.4635 48 G 3.8241 7.9953 105.0388 45.5243 0.0000 174.0452 49 D 4.3038 8.9364 114.0545 54.3776 39.2834 174.1872 50 V 3.2297 7.5476 115.9285 63.4965 29.3898 171.6190 51 S 4.4795 7.6715 115.9572 58.2604 64.4409 174.4995 52 V 4.3095 7.8287 114.5436 60.4904 34.9397 175.7704 53 C 4.3711 8.4141 122.0137 57.2106 28.3716 173.2395 54 E 4.1101 8.2272 128.6763 59.3587 29.7058 177.0241 55 W 4.3395 8.2815 128.2675 61.1526 30.7026 177.3629 56 Y 4.5142 8.0946 115.6564 61.0781 37.2831 178.6772 57 R 3.1239 8.0894 119.8648 58.9777 30.1623 178.5217 58 R 3.4467 7.4203 117.3269 59.1726 29.8821 178.8961 59 V 3.5179 7.4376 119.4899 65.3769 31.6285 177.6063 60 Y 4.3515 7.9631 117.3654 60.0131 37.3300 178.8129 61 K 3.7408 7.2649 119.9204 59.2408 32.1509 179.1754 62 S 4.2231 7.4345 113.9209 61.6066 62.8990 176.3808 63 L 4.1327 7.6206 120.0817 56.5553 41.9812 177.3439 64 C 4.2756 7.6985 116.2231 55.6254 36.2366 171.9615 65 P 4.2946 0.0000 0.0000 62.1617 32.0813 177.0307 66 I 3.6231 8.4682 122.0294 65.1453 36.9712 178.4030 67 S 4.1633 8.0950 114.9357 61.4959 62.5643 176.7660 68 W 3.5555 7.9603 121.1501 59.5348 28.6317 178.7220 69 V 3.6703 7.5447 117.4398 66.1027 31.1206 177.7095 70 S 4.2097 8.5541 115.4753 62.2048 62.7782 177.1136 71 T 4.0155 8.0636 112.0661 64.4094 68.3828 176.6708 72 W 4.6750 8.4534 122.3934 59.8206 29.0427 178.0530 73 D 4.4292 8.6938 119.0255 57.6636 40.2813 178.2680 74 D 4.4953 8.2283 119.2501 57.9003 40.8145 179.7139 75 R 4.0393 8.2286 118.0522 59.4946 29.9250 179.4053 76 R 3.9446 8.1484 116.6479 59.0189 30.0685 178.8200 77 A 4.1606 8.4267 121.4760 55.0546 18.3608 179.0064 78 E 4.2838 8.3736 113.2745 56.7675 29.7111 177.5318 79 G 3.9436 7.5705 108.0148 46.7989 0.0000 174.1261 80 T 4.4188 8.1335 107.5401 60.9094 68.9475 174.2460 81 F 4.5016 8.1425 125.6838 57.3457 38.9341 173.9984 82 P 4.4280 0.0000 0.0000 63.6197 31.2405 176.5949 83 G 3.6314 6.0432 108.6856 44.5131 0.0000 173.8998 84 K 4.3295 8.4533 122.9921 55.0323 32.0144 176.6548 85 I 4.0782 8.2457 126.3426 61.3997 37.4969 175.8319 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 11 Y 8.00 4.63 0.00 3.10 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 12 Q 7.98 3.96 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 13 T 7.05 4.02 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 1.11 0.00 0.00 14 A 8.39 3.81 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 15 P 0.00 4.70 0.00 2.36 2.24 0.00 3.98 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 2.26 2.36 0.00 16 F 8.70 4.26 0.00 3.00 3.07 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 17 D 7.55 4.60 0.00 2.73 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 18 S 8.46 3.71 0.00 4.09 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 19 R 7.63 3.84 0.00 1.38 1.86 0.00 2.90 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.50 0.00 20 F 8.28 4.85 0.00 2.90 2.96 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 0.00 0.00 0.00 0.00 21 P 0.00 4.82 0.00 2.37 2.45 0.00 3.75 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 2.02 2.07 0.00 22 N 7.72 5.11 0.00 2.82 2.80 0.00 0.00 6.67 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 23 Q 8.77 3.84 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.76 4.66 0.00 2.81 2.81 0.00 0.00 7.18 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 25 Q 8.56 4.50 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 26 T 8.43 4.22 4.38 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 1.48 0.00 0.00 27 R 8.18 4.25 0.00 2.07 2.43 0.00 3.59 0.00 0.00 3.66 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 28 N 8.24 3.14 0.00 2.43 2.62 0.00 0.00 6.68 7.30 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 29 C 8.16 4.34 0.00 3.15 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.13 0.00 3.54 3.27 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 31 Q 8.84 3.88 0.00 2.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 32 N 7.95 4.19 0.00 2.89 2.94 0.00 0.00 6.75 6.75 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 33 Y 8.07 3.50 0.00 2.75 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 0.00 34 L 7.55 3.72 0.00 1.62 1.44 0.63 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.21 4.26 0.00 2.39 1.65 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 36 F 8.69 4.49 0.00 3.27 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.72 3.41 0.00 2.85 3.03 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.07 3.83 0.00 1.99 1.93 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 39 C 8.30 4.10 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 40 E 8.14 3.70 0.00 1.43 1.64 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 2.14 2.13 0.00 41 K 7.99 3.72 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 42 A 7.82 3.93 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 43 M 7.88 4.10 0.00 2.10 2.19 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 2.58 3.01 0.00 44 T 7.87 3.83 4.39 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 1.18 0.00 0.00 45 A 8.05 4.44 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 46 K 8.10 4.07 0.00 1.65 2.03 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 47 G 8.23 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 0.00 0.00 0.00 48 G 8.00 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 0.00 0.00 0.00 49 D 8.94 4.30 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 50 V 7.55 3.23 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 0.72 0.00 0.00 0.92 0.00 0.00 51 S 7.67 4.48 0.00 4.00 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 52 V 7.83 4.31 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 0.73 0.00 0.00 0.93 0.00 0.00 53 C 8.41 4.37 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.23 4.11 0.00 2.11 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 2.33 2.34 0.00 55 W 8.28 4.34 0.00 3.39 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 56 Y 8.09 4.51 0.00 3.35 3.34 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 57 R 8.09 3.12 0.00 1.00 1.43 0.00 2.52 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 58 R 7.42 3.45 0.00 1.23 0.72 0.00 2.96 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 0.00 59 V 7.44 3.52 1.77 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 1.09 0.00 0.00 0.35 0.00 0.00 60 Y 7.96 4.35 0.00 3.34 3.36 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 61 K 7.26 3.74 0.00 1.56 1.65 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.77 1.21 7.81 62 S 7.43 4.22 0.00 3.97 3.91 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 0.00 0.00 0.00 63 L 7.62 4.13 0.00 1.65 1.68 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.70 4.28 0.00 3.23 3.07 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 65 P 0.00 4.29 0.00 1.79 1.70 0.00 2.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.47 3.62 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.35 0.90 0.00 0.00 67 S 8.10 4.16 0.00 3.99 3.96 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 0.00 0.00 0.00 0.00 68 W 7.96 3.56 0.00 2.95 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 0.00 0.00 0.00 69 V 7.54 3.67 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 1.73 0.00 0.00 1.18 0.00 0.00 70 S 8.55 4.21 0.00 3.98 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 71 T 8.06 4.02 4.27 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 1.20 0.00 0.00 72 W 8.45 4.68 0.00 3.37 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 73 D 8.69 4.43 0.00 2.97 2.82 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 74 D 8.23 4.50 0.00 3.03 2.82 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 75 R 8.23 4.04 0.00 2.54 2.37 0.00 3.29 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 76 R 8.15 3.94 0.00 1.82 1.85 0.00 2.53 0.00 0.00 2.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.25 0.00 77 A 8.43 4.16 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 78 E 8.37 4.28 0.00 2.16 2.12 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 2.63 2.46 0.00 79 G 7.57 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 80 T 8.13 4.42 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 1.29 0.00 0.00 81 F 8.14 4.50 0.00 3.12 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 82 P 0.00 4.43 0.00 2.05 2.02 0.00 3.22 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 83 G 6.04 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 84 K 8.45 4.33 0.00 1.73 1.77 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.52 7.81 85 I 8.25 4.08 1.85 0.00 0.00 0.55 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 0.93 0.81 0.00 0.00