NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8751 8.3549 109.7362 45.6027 0.0000 171.4337 2 S 4.3196 7.9781 117.5781 56.7635 64.0092 172.2154 3 S 4.6264 8.8371 120.2342 56.2225 65.2022 172.6354 4 G 4.1453 8.4336 115.3401 43.3212 0.0000 172.6788 5 S 4.4416 8.4023 114.3237 56.9732 61.9832 173.0737 6 S 4.5579 9.1632 120.7771 55.9701 65.0128 172.3597 7 G 2.9416 8.3786 110.4888 44.8546 0.0000 172.7165 8 C 4.4878 7.9577 125.1135 58.5600 29.6177 174.5806 9 S 4.6043 8.0673 117.6933 55.7363 62.6870 172.3068 10 P 4.4366 0.0000 0.0000 62.2175 32.0363 177.5553 11 V 3.9647 8.0695 113.3848 61.5441 32.5245 175.7240 12 R 4.4337 8.6237 119.2198 57.2824 31.9477 176.0977 13 E 5.0815 8.2669 114.0714 53.6832 31.6787 174.9443 14 R 4.8162 8.4618 118.4788 54.4533 33.9111 173.6523 15 R 5.0886 8.4456 117.0603 54.2369 33.3746 174.9949 16 L 4.6373 8.4562 125.2293 52.9839 44.5984 174.8246 17 E 4.5701 8.9202 127.6695 56.6044 30.2369 174.9318 18 H 4.7984 8.8371 127.9521 54.0997 31.9670 174.4606 19 Q 4.6206 8.5412 128.4606 55.1794 25.9852 173.8576 20 L 3.9721 7.5639 118.9373 55.4010 42.9477 176.3228 21 E 4.8454 8.8783 125.0634 53.7439 32.0480 175.2643 22 P 4.3973 0.0000 0.0000 64.6974 31.5839 177.2459 23 G 4.1692 8.0613 107.4968 45.3465 0.0000 172.5074 24 D 5.1245 7.9932 119.2210 52.2253 43.3526 176.1153 25 T 4.7015 8.0214 111.0735 59.2603 71.8420 174.4752 26 L 3.8582 8.7495 124.6802 58.4259 41.1458 179.7497 27 A 4.1424 8.1853 119.7692 55.1005 18.1804 179.8019 28 G 3.5333 8.1524 104.1904 47.9791 0.0000 175.7932 29 L 4.0310 8.0150 121.6109 57.4628 41.7258 178.9212 30 A 3.9866 8.0140 120.1584 55.8528 17.9995 179.7691 31 L 3.9276 7.7207 114.8704 58.0986 41.9450 179.5463 32 K 4.0277 8.0233 118.5951 59.5389 32.1578 176.2356 33 Y 4.5240 9.1234 114.0844 57.7000 39.2797 177.1724 34 G 4.4595 7.0546 120.8164 46.3551 0.0000 171.8147 35 V 4.5332 7.8728 114.6584 59.5586 35.8513 174.5573 36 T 4.5892 7.8685 113.1314 60.7724 69.2947 174.8227 37 M 3.8494 8.7483 128.8505 58.8222 32.0296 178.2396 38 E 3.8602 8.3259 118.4072 60.0463 29.6329 178.3976 39 Q 3.8790 7.9256 116.5608 59.4571 28.6347 179.4484 40 I 3.6345 7.7019 119.5169 65.2521 37.5739 177.8284 41 K 3.9257 8.2044 118.8529 59.4167 31.6224 178.9772 42 R 4.1195 8.7176 120.8870 59.8520 30.0977 178.4879 43 A 4.2574 8.4566 120.0458 54.0521 18.3334 177.7103 44 N 4.8288 8.2870 112.8703 53.0098 39.8605 175.0834 45 R 3.9506 7.9620 115.5858 57.4330 27.6020 177.9195 46 L 3.6982 7.8069 118.9820 56.6085 42.1953 176.7175 47 Y 4.1667 7.2770 117.0121 57.5426 37.3427 175.7914 48 T 4.6545 7.9560 113.5487 59.1334 72.2242 173.3425 49 N 4.3480 8.9413 120.7877 56.3148 38.9736 174.7092 50 D 4.9592 7.6304 115.2561 52.0036 42.8566 175.8319 51 S 4.2576 8.4884 117.6036 58.2864 63.9203 176.1044 52 I 3.7756 8.1794 114.8234 63.5640 37.6737 178.0768 53 F 4.1547 8.0900 119.0960 60.1659 38.9145 176.1806 54 L 4.0534 7.4919 119.1742 57.7601 41.5404 177.8436 55 K 4.3946 8.0872 117.0096 55.8709 33.4790 175.5343 56 K 4.6496 8.6907 115.7998 58.0060 34.6873 176.7430 57 T 5.0119 7.8766 107.5103 59.7031 71.8780 173.0594 58 L 4.4650 8.4057 123.3907 53.0687 44.9873 175.4843 59 Y 5.1366 7.7263 120.7043 57.6193 39.5651 174.8174 60 I 4.4168 8.3767 123.2488 58.4800 40.1879 173.1110 61 P 4.8133 0.0000 0.0000 62.9362 32.1707 175.9341 62 I 4.1435 8.9423 127.2828 60.2188 38.3770 175.1845 63 L 4.6613 8.5639 128.4577 53.4227 42.3289 176.0058 64 T 4.6429 8.3937 117.7161 60.0362 70.4775 172.8833 65 E 4.7003 8.2955 125.6112 53.9649 31.6830 175.1263 66 P 4.3862 0.0000 0.0000 63.7993 31.4087 176.2070 67 R 4.3362 7.4818 120.8001 55.3371 29.7340 175.1531 68 D 4.8552 8.2613 124.8023 52.0388 44.8051 175.5632 69 L 4.0903 8.7203 123.9314 58.8813 40.2605 177.8001 70 F 4.4306 7.8572 119.3459 56.8976 42.1256 172.3647 71 N 4.9107 8.1230 126.0203 51.5887 39.9787 175.2105 72 S 4.2841 8.8333 118.5855 62.1998 63.6504 172.4373 73 G 3.8703 8.0884 106.2424 43.0368 0.0000 172.0032 74 P 4.1408 0.0000 0.0000 64.3769 31.7178 176.8969 75 S 4.1525 7.3926 116.3567 58.9862 63.0869 173.5749 76 S 4.7859 8.4563 118.9238 56.1397 65.2070 173.7946 77 G 3.7648 8.5558 112.4987 45.8621 0.0000 173.6790 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 G 8.35 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 2 S 7.98 4.32 0.00 3.95 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 3 S 8.84 4.63 0.00 3.77 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 4 G 8.43 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 5 S 8.40 4.44 0.00 3.99 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 6 S 9.16 4.56 0.00 3.95 3.85 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 7 G 8.38 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 0.00 0.00 0.00 8 C 7.96 4.49 0.00 2.97 2.87 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 9 S 8.07 4.60 0.00 3.81 3.78 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 10 P 0.00 4.44 0.00 2.17 2.04 0.00 3.75 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 1.98 1.98 0.00 11 V 8.07 3.96 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 0.80 0.00 0.00 0.93 0.00 0.00 12 R 8.62 4.43 0.00 1.76 1.93 0.00 3.17 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 13 E 8.27 5.08 0.00 1.94 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 2.17 2.05 0.00 14 R 8.46 4.82 0.00 1.83 2.03 0.00 2.90 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 15 R 8.45 5.09 0.00 1.60 1.79 0.00 3.28 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 16 L 8.46 4.64 0.00 1.77 1.44 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.92 4.57 0.00 2.00 1.90 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 2.38 2.43 0.00 18 H 8.84 4.80 0.00 3.44 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.54 4.62 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 20 L 7.56 3.97 0.00 1.77 1.86 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.88 4.85 0.00 2.34 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 2.26 2.41 0.00 22 P 0.00 4.40 0.00 2.09 2.13 0.00 3.77 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 1.99 1.96 0.00 23 G 8.06 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 0.00 0.00 0.00 24 D 7.99 5.12 0.00 2.93 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 25 T 8.02 4.70 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 1.30 0.00 0.00 26 L 8.75 3.86 0.00 1.66 1.75 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.19 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.53 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 0.00 29 L 8.02 4.03 0.00 1.72 1.82 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.01 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.93 0.00 1.68 1.75 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.02 4.03 0.00 1.80 1.97 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.95 1.36 7.81 33 Y 9.12 4.52 0.00 2.97 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 34 G 7.05 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.53 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 0.71 0.00 0.00 0.96 0.00 0.00 36 T 7.87 4.59 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 1.24 0.00 0.00 37 M 8.75 3.85 0.00 2.08 2.12 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 2.70 2.72 0.00 38 E 8.33 3.86 0.00 2.06 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 2.37 2.48 0.00 39 Q 7.93 3.88 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.47 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 40 I 7.70 3.63 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.43 0.84 0.00 0.00 41 K 8.20 3.93 0.00 2.00 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 42 R 8.72 4.12 0.00 1.83 1.99 0.00 3.22 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 A 8.46 4.26 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 44 N 8.29 4.83 0.00 2.51 2.62 0.00 0.00 7.10 7.62 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 45 R 7.96 3.95 0.00 1.93 1.94 0.00 3.34 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 46 L 7.81 3.70 0.00 1.59 1.65 0.79 0.77 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 47 Y 7.28 4.17 0.00 2.97 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 48 T 7.96 4.65 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 1.06 0.00 0.00 49 N 8.94 4.35 0.00 2.71 2.92 0.00 0.00 6.93 8.49 0.00 0.00 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 D 7.63 4.96 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.26 0.00 4.03 4.08 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 0.00 0.00 0.00 52 I 8.18 3.78 1.70 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 1.13 0.62 0.82 0.00 0.00 53 F 8.09 4.15 0.00 3.09 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 54 L 7.49 4.05 0.00 1.65 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.09 4.39 0.00 1.65 1.72 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.32 7.81 56 K 8.69 4.65 0.00 1.69 1.82 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 T 7.88 5.01 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 1.27 0.00 0.00 58 L 8.41 4.46 0.00 1.49 1.42 0.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.73 5.14 0.00 2.83 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 60 I 8.38 4.42 1.15 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.45 -0.04 0.00 0.00 61 P 0.00 4.81 0.00 2.04 2.06 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 62 I 8.94 4.14 1.88 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 1.23 1.38 0.95 0.00 0.00 63 L 8.56 4.66 0.00 1.53 1.63 0.93 0.84 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 64 T 8.39 4.64 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 65 E 8.30 4.70 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 66 P 0.00 4.39 0.00 2.17 2.15 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 67 R 7.48 4.34 0.00 1.76 1.90 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 68 D 8.26 4.86 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.09 0.00 1.83 1.89 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.86 4.43 0.00 2.99 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 71 N 8.12 4.91 0.00 2.58 2.68 0.00 0.00 7.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.83 4.28 0.00 4.03 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 73 G 8.09 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 74 P 0.00 4.14 0.00 2.19 2.19 0.00 3.78 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 1.99 1.98 0.00 75 S 7.39 4.15 0.00 3.90 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 76 S 8.46 4.79 0.00 3.78 3.70 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 0.00 0.00 0.00 0.00 77 G 8.56 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 0.00 0.00 0.00