NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.3322 8.3149 120.1426 55.8695 33.9820 175.4730 14 S 4.2043 8.1127 115.7489 57.9477 63.8948 171.7445 15 I 4.6012 8.6101 125.6001 59.3976 40.4791 174.3409 16 W 5.5520 8.7518 125.5620 55.3114 32.8005 174.3024 17 C 5.2441 8.8765 121.7817 57.7472 31.8556 174.3600 18 S 4.7083 8.5768 117.1414 57.1048 63.5303 173.4633 19 P 4.3914 0.0000 0.0000 66.1347 30.3865 178.6079 20 Q 4.3427 8.0909 116.7479 59.1458 28.9164 178.0603 21 E 4.1225 8.2016 118.9142 59.3957 28.7653 179.4787 22 I 3.7301 7.6484 119.8196 64.8419 37.0523 178.1651 23 M 4.6433 8.8387 118.9148 58.6003 31.8761 178.1325 24 A 4.2379 7.5911 118.2311 52.1007 19.2191 177.0733 25 A 4.3182 8.9457 122.4984 51.1024 19.5482 178.2230 26 D 4.3779 9.0428 123.8094 57.4441 41.0412 178.3809 27 G 3.9772 8.1446 105.5269 47.2567 0.0000 173.2966 28 M 4.6709 7.6654 118.9430 52.7317 32.2145 173.1654 29 P 4.4791 0.0000 0.0000 61.7113 33.2208 177.0386 30 G 3.9493 8.5168 104.6102 44.9569 0.0000 174.6041 31 S 4.4425 8.1261 113.5047 57.5194 65.8578 174.3056 32 V 3.5881 8.4199 119.2721 66.7533 31.1762 178.3503 33 A 4.0851 8.0945 119.9544 55.0967 18.1015 179.4206 34 G 3.6946 7.5717 103.9282 48.1141 0.0000 176.0020 35 V 3.5349 7.7661 120.2890 66.0586 31.3236 177.8049 36 H 3.9291 7.9266 114.6818 58.8715 28.8698 176.6246 37 Y 4.0746 8.4872 121.7518 60.7148 38.6344 178.4481 38 R 3.7572 7.7875 119.2248 59.2864 30.0890 177.8010 39 A 3.0725 7.0295 116.3645 52.4361 18.0404 178.3599 40 N 4.2350 7.1502 116.7126 56.7229 39.1755 176.9945 41 V 3.5860 6.8114 116.9657 64.9353 31.9973 176.4492 42 Q 4.3286 7.2113 115.8337 55.3742 30.1747 176.5079 43 G 4.0259 8.3613 111.1866 44.0406 0.0000 174.0347 44 W 4.4460 7.9030 118.2067 57.2054 30.3996 176.6880 45 T 4.3509 8.4953 118.1741 63.6535 68.8121 173.8591 46 K 5.4547 9.0669 124.9383 53.5641 36.4334 175.8482 47 R 4.6245 8.1527 117.4056 54.7219 32.9753 173.7748 48 K 4.4566 8.6430 122.3715 55.2847 33.2189 175.7350 49 K 4.5091 9.0364 127.8822 54.4743 33.8536 175.8347 50 E 4.0605 8.6955 125.7795 57.0915 30.9383 178.0407 51 G 3.9314 8.9291 107.9316 46.0873 0.0000 174.9268 52 V 3.6725 7.6305 121.4128 66.6521 29.7263 176.7075 53 K 4.1383 8.6206 120.1937 57.9845 32.4341 176.0213 54 G 3.6985 8.2269 118.8334 46.1639 0.0000 174.6163 55 G 4.1334 8.4527 111.4391 44.5406 0.0000 171.5251 56 K 3.5394 8.3601 125.4966 55.5519 32.5119 174.7401 57 A 4.3560 8.2689 126.1387 51.6440 19.3801 176.2419 58 V 4.7203 8.4603 122.8454 60.3050 33.3342 175.2196 59 E 5.0321 8.5396 124.4612 54.6067 33.0202 174.4516 60 Y 5.4051 8.5537 119.1483 55.4564 41.6103 174.4686 61 D 4.5120 8.3143 123.1439 52.3610 41.3557 177.2821 62 V 3.3748 8.1936 126.4665 65.7045 31.7725 177.0082 63 M 4.1886 8.3672 118.0908 56.3074 31.7913 176.6881 64 S 4.4646 7.3892 112.6491 58.4361 64.6044 174.6432 65 M 3.7414 6.8989 120.2215 53.7041 32.3011 174.6801 66 P 4.2536 0.0000 0.0000 62.6845 33.4022 177.6853 67 T 3.8270 8.2831 108.8202 64.8400 68.6205 176.5326 68 K 3.8602 8.0037 120.8241 59.5493 32.1925 178.8164 69 E 3.9544 8.0910 117.9929 59.3578 29.3547 179.2618 70 R 3.7930 7.6054 118.7049 59.5133 30.1040 178.3815 71 E 3.9705 8.4122 118.5638 59.5572 29.4550 179.3625 72 Q 4.0265 8.0351 118.0381 58.8762 28.6115 179.1964 73 V 3.6805 7.7869 119.1707 66.0623 31.6004 178.1340 74 I 3.6787 8.1336 119.7888 64.3719 36.5822 178.2242 75 A 4.0090 8.4251 122.0069 55.4334 17.9146 179.0919 76 H 4.0171 8.1739 116.4335 59.4484 29.4470 177.5698 77 L 4.1838 7.9540 120.8692 57.6407 41.3117 179.5359 78 G 3.8000 8.3114 105.2482 47.1538 0.0000 174.9250 79 L 4.2642 7.4399 120.7216 57.4707 41.0277 177.3416 80 S 4.4144 7.1679 109.4541 60.0324 63.4646 173.5359 81 T 4.0749 7.4759 117.1015 62.2536 67.0043 173.9946 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 13 K 8.31 4.33 0.00 1.76 1.91 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.54 7.81 14 S 8.11 4.20 0.00 4.49 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 0.00 15 I 8.61 4.60 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.85 0.00 0.00 16 W 8.75 5.55 0.00 3.10 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 17 C 8.88 5.24 0.00 2.87 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 18 S 8.58 4.71 0.00 4.21 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 19 P 0.00 4.39 0.00 2.42 2.62 0.00 3.86 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 20 Q 8.09 4.34 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 21 E 8.20 4.12 0.00 2.18 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 2.43 2.45 0.00 22 I 7.65 3.73 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.94 0.00 0.00 23 M 8.84 4.64 0.00 1.85 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.75 0.00 24 A 7.59 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 25 A 8.95 4.32 1.28 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 0.00 0.00 0.00 26 D 9.04 4.38 0.00 2.68 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 27 G 8.14 3.98 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 0.00 0.00 0.00 28 M 7.67 4.67 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 29 P 0.00 4.48 0.00 2.17 2.07 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 30 G 8.52 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 31 S 8.13 4.44 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 3.59 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 1.13 0.00 0.00 0.97 0.00 0.00 33 A 8.09 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.69 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 0.00 0.00 0.00 35 V 7.77 3.53 2.25 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 0.68 0.00 0.00 0.96 0.00 0.00 36 H 7.93 3.93 0.00 3.37 3.40 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.49 4.07 0.00 2.96 3.13 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 0.00 0.00 0.00 38 R 7.79 3.76 0.00 1.84 1.74 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 39 A 7.03 3.07 0.25 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 0.00 0.00 0.00 40 N 7.15 4.24 0.00 2.68 2.56 0.00 0.00 6.91 7.80 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 41 V 6.81 3.59 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 0.80 0.00 0.00 0.74 0.00 0.00 42 Q 7.21 4.33 0.00 1.96 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.40 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 43 G 8.36 4.03 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 0.00 0.00 0.00 44 W 7.90 4.45 0.00 3.40 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 45 T 8.50 4.35 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 1.35 0.00 0.00 46 K 9.07 5.45 0.00 1.61 1.53 0.00 1.83 0.00 0.00 2.61 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.65 7.81 47 R 8.15 4.62 0.00 1.59 1.77 0.00 2.21 0.00 0.00 2.66 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 48 K 8.64 4.46 0.00 1.63 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 K 9.04 4.51 0.00 1.86 1.63 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.25 7.81 50 E 8.70 4.06 0.00 2.07 2.05 0.00 0.00 0.00 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 2.28 0.00 51 G 8.93 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 52 V 7.63 3.67 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 0.96 0.00 0.00 1.01 0.00 0.00 53 K 8.62 4.14 0.00 1.90 1.99 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 54 G 8.23 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 0.00 0.00 0.00 55 G 8.45 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.36 3.54 0.00 1.89 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 57 A 8.27 4.36 1.25 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 0.00 0.00 0.00 58 V 8.46 4.72 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 0.99 0.00 0.00 0.76 0.00 0.00 59 E 8.54 5.03 0.00 1.97 2.16 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 2.34 2.29 0.00 60 Y 8.55 5.41 0.00 3.06 3.08 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 61 D 8.31 4.51 0.00 1.58 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 0.00 0.00 0.00 62 V 8.19 3.37 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 0.74 0.00 0.00 0.82 0.00 0.00 63 M 8.37 4.19 0.00 1.84 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 64 S 7.39 4.46 0.00 3.83 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 65 M 6.90 3.74 0.00 1.44 1.58 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.81 0.00 66 P 0.00 4.25 0.00 2.30 2.01 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 67 T 8.28 3.83 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 1.17 0.00 0.00 68 K 8.00 3.86 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.54 7.81 69 E 8.09 3.95 0.00 1.92 1.89 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 2.53 2.49 0.00 70 R 7.61 3.79 0.00 1.72 1.99 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 71 E 8.41 3.97 0.00 2.16 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 2.31 2.47 0.00 72 Q 8.04 4.03 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 73 V 7.79 3.68 2.17 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 0.96 0.00 0.00 0.92 0.00 0.00 74 I 8.13 3.68 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.71 0.90 0.00 0.00 75 A 8.43 4.01 1.39 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 0.00 0.00 0.00 76 H 8.17 4.02 0.00 3.33 3.46 0.00 5.78 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 77 L 7.95 4.18 0.00 1.82 1.71 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.31 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 0.00 0.00 0.00 79 L 7.44 4.26 0.00 1.76 1.77 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.17 4.41 0.00 3.89 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 81 T 7.48 4.07 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 1.25 0.00 0.00