NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9558 8.3549 109.7371 45.4747 0.0000 173.9391 2 S 4.0456 8.6626 122.5483 60.6871 63.2289 174.0502 3 S 4.1969 8.0456 115.5698 57.9155 63.9758 174.3066 4 G 3.8977 8.5045 113.9533 45.8997 0.0000 172.3054 5 S 4.5961 8.0700 112.7061 56.2571 65.4160 173.8466 6 S 4.1279 8.7905 122.7501 62.2434 63.1519 175.2564 7 G 4.1972 8.2280 109.4043 45.4297 0.0000 173.6386 8 H 4.2479 8.1465 115.4678 55.0564 29.4437 174.6493 9 P 4.4579 0.0000 0.0000 65.0872 31.4026 176.0754 10 E 4.9779 7.7631 118.4335 54.8396 34.2468 174.2653 11 K 4.7162 8.4525 119.9980 56.0241 36.2773 174.2650 12 C 4.7441 8.6049 121.0387 58.1073 32.2341 174.0801 13 S 4.3695 8.8069 121.5644 61.1717 63.1879 175.8179 14 E 4.0231 8.3022 119.4095 58.7475 29.3336 175.8595 15 C 5.0417 7.6416 109.4470 56.4230 32.8557 172.7939 16 S 4.5309 8.4893 113.2680 59.3509 62.9165 173.7265 17 Y 4.5403 8.0562 122.5517 56.3594 39.8986 174.1433 18 S 5.0833 7.9797 120.6088 56.6627 66.1059 172.4540 19 C 4.6713 8.1968 119.7974 57.7963 35.2192 175.2032 20 S 4.0292 8.7356 115.9412 61.1412 63.4193 174.7801 21 S 4.3770 7.8461 118.9744 56.7805 63.4101 174.1767 22 K 3.7320 8.9410 126.6984 59.9805 31.6428 177.9396 23 A 3.9804 8.1604 119.7120 55.4144 17.9495 179.1315 24 A 3.9709 7.6277 117.7479 55.2835 18.7372 179.0232 25 L 4.2103 7.9070 118.6710 58.7233 41.9839 179.1186 26 R 4.1897 8.0565 118.4731 58.9250 29.9104 178.6992 27 I 3.6823 7.5409 119.2002 64.7046 37.0537 177.9777 28 H 3.9404 8.3569 119.0470 59.2048 29.4336 176.8784 29 E 3.9055 7.8168 120.5127 59.7527 29.0969 179.4877 30 R 3.9222 7.6733 117.6635 59.4513 29.8724 178.3579 31 I 3.5252 7.7117 117.6161 63.8599 38.3282 175.4350 32 H 4.6825 8.0927 117.3692 55.7749 28.6519 174.5069 33 C 4.8063 7.4162 113.2066 57.0302 32.0700 173.3753 34 T 4.6603 7.9367 115.7584 62.5551 72.0804 173.6353 35 D 4.6290 8.5770 123.9925 55.2829 42.3796 177.1856 36 R 4.2745 7.7632 118.6203 54.6441 30.6649 174.5371 37 P 4.1850 0.0000 0.0000 65.6140 31.8562 176.7895 38 F 4.3812 8.0828 119.5054 56.9602 39.5675 174.7872 39 K 5.1125 8.6171 122.7626 54.5193 35.4257 175.7781 40 C 4.5702 8.9025 123.4206 59.5119 32.0811 172.9629 41 N 4.7473 8.8966 119.2366 54.9725 39.6903 176.7089 42 Y 3.9574 8.4385 115.1355 60.4047 38.1401 174.7997 43 C 4.9892 7.9255 110.7289 56.2739 32.7259 172.6525 44 S 4.5217 8.3535 112.2812 58.4025 62.1784 173.5647 45 F 4.7241 8.1545 123.0018 56.8657 40.7138 173.8757 46 D 5.1617 8.0275 125.5880 51.6611 41.7187 175.1382 47 T 4.4169 8.4174 116.3226 59.5120 71.2558 173.2525 48 K 4.8451 8.5274 126.8465 56.4765 32.8916 176.3306 49 Q 4.5243 7.8346 114.6933 52.1128 33.1146 174.4463 50 P 3.0299 0.0000 0.0000 65.3273 31.3653 179.1505 51 S 4.0581 7.6934 113.5921 61.2699 62.9992 175.7535 52 N 4.3182 8.1618 119.7975 56.0514 38.1286 176.9459 53 L 4.2564 7.5909 120.0471 58.4503 42.3470 178.5348 54 S 4.1557 7.8394 114.8497 61.9553 62.8438 176.8898 55 K 3.9188 8.3771 121.0475 60.4950 32.1940 178.5601 56 H 4.1870 7.9608 119.0578 59.0800 29.7913 176.9278 57 M 4.0643 8.2848 121.0008 58.5905 31.7469 178.7834 58 K 4.0479 7.5790 117.2846 58.5440 32.2275 178.9522 59 K 3.5017 8.0428 119.6966 59.0474 31.9670 177.3707 60 F 4.4043 7.6323 114.4068 58.7204 41.4412 176.9744 61 H 4.6334 7.5768 114.9406 54.9163 27.7207 175.0691 62 G 4.0877 7.6039 108.9193 46.4952 0.0000 173.8754 63 D 4.7590 7.7451 118.5152 54.6599 41.3688 176.1073 64 M 4.7065 7.6652 116.9848 53.5908 34.8040 177.0515 65 S 4.3802 8.4322 116.5703 57.4238 60.3114 173.3169 66 G 3.8783 7.4624 112.2160 45.7869 0.0000 169.7251 67 P 4.4826 0.0000 0.0000 61.8631 32.6841 176.4996 68 S 4.6731 8.3103 113.7872 58.1734 63.5369 174.6602 69 S 4.4929 8.1590 115.5580 58.1812 66.8501 174.8314 70 G 3.7477 9.1241 112.9582 45.5382 0.0000 173.4915 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 3.96 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 0.00 0.00 0.00 2 S 8.66 4.05 0.00 3.96 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 3 S 8.05 4.20 0.00 3.86 3.80 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 0.00 0.00 0.00 4 G 8.50 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 5 S 8.07 4.60 0.00 3.77 3.67 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 6 S 8.79 4.13 0.00 3.91 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 7 G 8.23 4.20 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 0.00 0.00 0.00 8 H 8.15 4.25 0.00 3.10 3.46 0.00 5.90 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.46 0.00 2.19 2.19 0.00 3.92 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 10 E 7.76 4.98 0.00 1.98 1.84 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 2.23 2.41 0.00 11 K 8.45 4.72 0.00 1.71 1.75 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.46 7.81 12 C 8.60 4.74 0.00 3.32 3.23 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 13 S 8.81 4.37 0.00 3.90 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 14 E 8.30 4.02 0.00 1.76 1.72 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 2.18 1.89 0.00 15 C 7.64 5.04 0.00 3.11 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 16 S 8.49 4.53 0.00 3.92 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 17 Y 8.06 4.54 0.00 2.98 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 18 S 7.98 5.08 0.00 3.95 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 19 C 8.20 4.67 0.00 2.99 2.76 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 20 S 8.74 4.03 0.00 4.03 3.99 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 21 S 7.85 4.38 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 K 8.94 3.73 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.55 7.81 23 A 8.16 3.98 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 24 A 7.63 3.97 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 25 L 7.91 4.21 0.00 1.87 2.00 1.11 0.91 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 26 R 8.06 4.19 0.00 2.11 2.00 0.00 3.48 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 27 I 7.54 3.68 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.90 0.00 0.00 28 H 8.36 3.94 0.00 2.79 3.42 0.00 5.81 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 29 E 7.82 3.91 0.00 2.08 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 2.35 2.60 0.00 30 R 7.67 3.92 0.00 1.85 1.94 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 31 I 7.71 3.53 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.37 0.00 0.00 32 H 8.09 4.68 0.00 3.20 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.42 4.81 0.00 2.98 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 T 7.94 4.66 4.21 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 1.25 0.00 0.00 35 D 8.58 4.63 0.00 2.62 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 36 R 7.76 4.27 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 37 P 0.00 4.19 0.00 1.70 2.00 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 38 F 8.08 4.38 0.00 3.26 3.06 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 0.00 0.00 0.00 0.00 39 K 8.62 5.11 0.00 1.60 1.69 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.37 7.81 40 C 8.90 4.57 0.00 3.36 3.23 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 41 N 8.90 4.75 0.00 2.77 2.75 0.00 0.00 7.10 7.53 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 42 Y 8.44 3.96 0.00 2.55 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 43 C 7.93 4.99 0.00 3.09 3.04 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 0.00 0.00 0.00 44 S 8.35 4.52 0.00 3.87 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 45 F 8.15 4.72 0.00 3.10 2.79 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 0.00 0.00 0.00 0.00 46 D 8.03 5.16 0.00 2.56 2.49 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 0.00 0.00 0.00 0.00 47 T 8.42 4.42 3.99 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 1.36 0.00 0.00 48 K 8.53 4.85 0.00 1.76 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 Q 7.83 4.52 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 50 P 0.00 3.03 0.00 2.01 1.79 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 51 S 7.69 4.06 0.00 4.04 4.10 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 52 N 8.16 4.32 0.00 2.92 3.10 0.00 0.00 6.79 6.82 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 53 L 7.59 4.26 0.00 1.96 1.81 1.16 1.15 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 54 S 7.84 4.16 0.00 4.02 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 55 K 8.38 3.92 0.00 1.95 2.06 0.00 1.31 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.46 7.81 56 H 7.96 4.19 0.00 3.07 3.44 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.28 4.06 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.01 0.00 58 K 7.58 4.05 0.00 1.87 1.76 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 59 K 8.04 3.50 0.00 1.66 1.56 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.04 7.81 60 F 7.63 4.40 0.00 2.50 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 61 H 7.58 4.63 0.00 2.85 2.51 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.60 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 63 D 7.75 4.76 0.00 2.65 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 64 M 7.67 4.71 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 65 S 8.43 4.38 0.00 3.85 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 66 G 7.46 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 67 P 0.00 4.48 0.00 2.21 2.09 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 68 S 8.31 4.67 0.00 4.00 3.99 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 69 S 8.16 4.49 0.00 3.83 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 70 G 9.12 3.75 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 0.00 0.00 0.00