NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2118 8.4293 121.4701 55.2683 29.8718 173.0036 5 P 4.5921 0.0000 0.0000 59.0604 32.9508 175.1251 6 C 4.4436 8.2705 125.3721 59.6261 29.7734 174.8073 7 V 3.8218 7.8343 123.9894 62.7687 31.6166 177.3653 8 E 4.1557 8.0420 119.5957 58.3352 29.3532 178.7030 9 S 4.0549 7.7186 115.6126 61.3172 63.1267 176.4261 10 L 3.5877 7.6942 122.5816 56.9703 41.1325 179.4702 11 V 3.3130 7.3100 118.0553 65.8204 31.4412 178.1139 12 S 4.2323 8.1775 114.2373 61.6356 62.7560 176.5157 13 Q 3.8867 7.6737 121.2119 58.8038 27.7975 178.3417 14 Y 4.2650 7.6555 117.9316 60.7163 37.8765 178.0241 15 F 4.8872 7.6173 117.6958 59.3063 39.2965 178.1095 16 Q 4.1052 8.3181 118.3562 59.0081 28.4287 178.5896 17 T 4.2838 7.6478 118.4818 65.6582 68.4029 177.0844 18 V 3.7774 7.2250 120.8671 66.1861 31.4356 178.2757 19 T 3.9383 7.8181 115.5969 66.6304 68.2675 176.4702 20 D 4.3209 7.7236 120.7160 57.4974 40.7544 178.4532 21 Y 4.8265 7.3262 118.8897 60.5977 37.8883 178.6578 22 G 3.7154 8.4157 106.7680 47.5323 0.0000 175.9719 23 K 4.1338 8.3781 121.0740 59.2106 31.6629 179.1835 24 D 4.5496 8.4865 119.8194 57.3863 40.4418 178.7906 25 L 4.1013 8.0660 119.6395 57.9228 41.6413 179.2020 26 M 4.0743 8.1216 118.2061 58.5056 31.7724 178.1416 27 E 4.0729 8.4371 119.2729 58.9690 29.5347 178.7342 28 K 4.1807 7.9308 116.5081 57.7701 32.2576 178.8428 29 V 3.9267 7.2616 119.1250 65.4263 31.7367 177.9252 30 K 4.3233 8.1675 118.0370 58.4193 31.9229 179.3056 31 S 4.2500 7.7426 114.6538 61.1462 63.0708 174.7569 32 P 4.3265 0.0000 0.0000 63.8300 31.3947 178.0745 33 E 4.1444 8.0159 117.8834 58.3674 30.0976 177.0188 34 L 4.8748 7.3429 117.7303 52.4674 41.3797 174.1203 35 Q 4.3394 7.1256 125.0799 56.3761 36.7778 174.9376 36 A 3.7338 7.5234 122.3367 54.9540 19.3680 178.4843 37 E 4.4982 7.8154 113.0541 56.1990 31.1840 178.2974 38 A 3.5807 7.5085 119.5415 54.9761 18.7443 179.1038 39 K 4.0129 7.2298 116.9082 58.7048 32.3504 179.5632 40 S 4.6326 7.5153 115.3340 60.9249 62.7166 176.0135 41 Y 4.3482 7.5074 120.7072 61.1107 37.0784 178.4358 42 F 4.6507 7.4397 119.6792 60.2260 38.8526 177.2399 43 E 4.1047 8.3031 118.1296 59.3711 28.9273 179.0871 44 K 4.1468 8.2581 119.8040 59.3982 32.2834 179.2942 45 S 3.9775 7.9926 115.0983 61.2231 62.8840 176.4131 46 K 4.1521 7.8861 120.3845 58.3113 31.7629 178.1032 47 E 4.3343 8.0218 116.7550 56.7168 29.3938 177.0970 48 Q 4.5223 7.5528 114.8409 54.4550 31.8097 175.9654 49 L 4.3294 7.4284 118.6584 57.1771 42.7877 177.9414 50 T 4.1824 7.8974 115.6506 65.6985 68.7189 175.1844 51 P 4.4409 0.0000 0.0000 64.4821 31.2156 178.2499 52 L 4.0983 7.8537 117.7472 58.0417 40.9401 178.6130 53 I 4.0462 7.4559 120.4779 63.8269 37.7601 177.9205 54 K 4.1429 8.0257 118.6597 58.5423 31.5642 179.1053 55 K 4.0588 8.2694 119.8984 58.6942 32.0882 178.2098 56 A 4.3437 7.9895 120.6433 54.2942 17.8242 179.7456 57 G 3.4442 7.8724 104.5156 48.2130 0.0000 175.8692 58 T 4.2253 7.7715 113.7552 63.2713 67.5936 173.7800 59 E 3.9938 7.7888 121.1176 58.1701 29.6429 177.1402 60 L 4.0946 6.9647 119.8611 57.8636 42.6979 178.9849 61 V 3.7335 7.8405 116.6681 66.1363 31.1745 177.4976 62 N 4.5327 7.6310 115.5142 53.2770 37.7653 176.9566 *64 L 4.4581 8.0306 120.3470 54.9867 44.0928 179.5258 65 S 4.1443 7.8743 111.5696 61.4785 62.4089 175.6225 66 Y 3.9584 8.1629 118.9749 61.3101 37.4340 178.7431 67 F 4.5997 7.7516 118.0454 60.6162 39.1161 177.8247 68 V 3.6953 7.8921 117.5972 65.9694 31.1793 177.9957 69 E 4.0017 8.4339 118.4657 59.2485 29.1697 178.5466 70 L 4.5323 7.7822 115.2720 55.4442 42.0026 178.0337 71 G 4.0692 7.7084 104.8295 44.8937 0.0000 174.8814 72 T 4.4034 7.7806 117.0978 65.4911 69.4937 176.7581 73 Q 4.0269 7.6290 118.4936 58.6570 28.8250 176.5210 74 P 4.3449 0.0000 0.0000 65.3266 31.7154 177.6370 75 A 4.1337 7.9256 120.1694 55.1154 18.7102 177.2524 76 T 4.0969 7.6536 115.9739 63.9836 68.4333 174.3288 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 4 E 8.43 4.21 0.00 1.94 1.96 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 2.19 2.31 0.00 5 P 0.00 4.59 0.00 2.24 2.01 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 6 C 8.27 4.44 0.00 3.00 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 7 V 7.83 3.82 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 0.81 0.00 0.00 0.92 0.00 0.00 8 E 8.04 4.16 0.00 2.02 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 2.41 2.37 0.00 9 S 7.72 4.05 0.00 3.94 4.06 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 10 L 7.69 3.59 0.00 1.54 1.01 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.31 3.31 2.21 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 1.28 0.00 0.00 0.95 0.00 0.00 12 S 8.18 4.23 0.00 4.08 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 13 Q 7.67 3.89 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 14 Y 7.66 4.26 0.00 2.43 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.62 4.89 0.00 3.13 3.03 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 16 Q 8.32 4.11 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 17 T 7.65 4.28 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 0.72 0.00 0.00 18 V 7.22 3.78 2.45 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 1.18 0.00 0.00 1.28 0.00 0.00 19 T 7.82 3.94 4.34 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 1.24 0.00 0.00 20 D 7.72 4.32 0.00 2.55 2.61 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 0.00 0.00 0.00 0.00 21 Y 7.33 4.83 0.00 3.27 2.91 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 22 G 8.42 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 0.00 0.00 0.00 23 K 8.38 4.13 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 24 D 8.49 4.55 0.00 2.96 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 25 L 8.07 4.10 0.00 1.90 1.73 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.12 4.07 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 27 E 8.44 4.07 0.00 2.25 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 2.34 2.61 0.00 28 K 7.93 4.18 0.00 1.92 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.70 7.81 29 V 7.26 3.93 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 30 K 8.17 4.32 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.56 7.81 31 S 7.74 4.25 0.00 4.04 4.11 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 32 P 0.00 4.33 0.00 2.02 2.11 0.00 3.89 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 2.01 2.14 0.00 33 E 8.02 4.14 0.00 1.97 2.01 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 2.33 2.52 0.00 34 L 7.34 4.87 0.00 1.53 1.59 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.13 4.34 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 36 A 7.52 3.73 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 37 E 7.82 4.50 0.00 1.63 1.12 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 2.13 2.04 0.00 38 A 7.51 3.58 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 39 K 7.23 4.01 0.00 2.17 1.92 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.68 1.48 7.81 40 S 7.52 4.63 0.00 3.98 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 41 Y 7.51 4.35 0.00 2.70 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 42 F 7.44 4.65 0.00 3.31 3.01 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 43 E 8.30 4.10 0.00 2.21 2.13 0.00 0.00 0.00 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 2.62 0.00 44 K 8.26 4.15 0.00 1.82 1.86 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.47 7.81 45 S 7.99 3.98 0.00 4.09 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 0.00 46 K 7.89 4.15 0.00 2.08 1.92 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.70 7.81 47 E 8.02 4.33 0.00 2.09 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 2.36 2.60 0.00 48 Q 7.55 4.52 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 49 L 7.43 4.33 0.00 2.05 1.84 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.90 4.18 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 1.22 0.00 0.00 51 P 0.00 4.44 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 52 L 7.85 4.10 0.00 1.78 1.80 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.46 4.05 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.18 0.91 0.00 0.00 54 K 8.03 4.14 0.00 1.86 1.86 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 55 K 8.27 4.06 0.00 1.96 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.44 7.81 56 A 7.99 4.34 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 57 G 7.87 3.44 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 0.00 58 T 7.77 4.23 4.23 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 1.27 0.00 0.00 59 E 7.79 3.99 0.00 1.93 1.85 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 2.24 2.23 0.00 60 L 6.96 4.09 0.00 1.80 1.72 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.84 3.73 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 0.79 0.00 0.00 0.98 0.00 0.00 62 N 7.63 4.53 0.00 2.88 2.64 0.00 0.00 6.94 6.62 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 *64 L 8.03 4.46 0.00 2.03 1.81 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.87 4.14 0.00 3.99 4.19 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 66 Y 8.16 3.96 0.00 2.45 2.74 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 67 F 7.75 4.60 0.00 3.16 3.01 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 68 V 7.89 3.70 2.30 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 1.07 0.00 0.00 1.10 0.00 0.00 69 E 8.43 4.00 0.00 2.18 1.94 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 2.30 2.56 0.00 70 L 7.78 4.53 0.00 1.74 1.78 0.99 0.84 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 71 G 7.71 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 72 T 7.78 4.40 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 1.22 0.00 0.00 73 Q 7.63 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 74 P 0.00 4.34 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 75 A 7.93 4.13 1.29 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 0.00 0.00 0.00 76 T 7.65 4.10 4.35 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.