NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0937 8.0544 120.3348 61.5518 32.5365 174.1052 7 D 4.7176 8.7989 124.7223 52.3370 42.4030 175.5673 8 C 5.1681 8.4539 126.7842 56.7625 36.5688 174.8305 9 S 4.1586 8.8479 117.1281 60.9466 63.2626 175.2581 10 E 4.4530 8.3360 118.4922 56.5029 29.3798 175.4593 11 Y 4.3985 7.6496 117.6293 55.4499 40.0691 173.7704 12 P 5.2455 0.0000 0.0000 62.1447 31.7048 175.4253 13 K 4.5702 9.1931 118.4623 53.7400 34.7396 176.2209 14 P 4.4218 0.0000 0.0000 65.0115 31.6801 176.0668 15 A 4.7430 7.2271 117.4438 50.7503 22.2714 174.4394 16 C 5.0040 8.1482 116.2433 54.9328 43.9682 174.6310 17 T 4.0177 8.2019 112.8550 61.8734 69.4651 173.3916 18 Y 5.1790 7.9656 117.3741 57.4366 38.6688 175.8841 19 E 4.3666 8.2179 116.6981 55.9320 31.2428 175.3284 20 Y 4.8816 8.4780 120.6985 56.2294 39.8826 175.8466 21 R 4.4818 8.6469 127.6240 53.8015 32.9916 172.7350 22 P 4.6111 0.0000 0.0000 62.4962 33.1054 175.4030 23 L 4.9804 8.7373 120.6558 53.0847 46.1038 174.5020 24 C 4.9930 8.7633 122.9504 54.9276 43.9479 173.7770 25 G 4.5668 8.9466 114.3297 45.2144 0.0000 174.5241 26 S 4.4190 9.0561 115.0500 60.1303 63.0861 174.7772 27 D 4.6200 8.1409 119.5865 53.0236 39.4612 176.3517 28 N 4.3089 8.0732 115.4246 53.9896 36.8472 173.3507 29 K 4.4706 8.2807 120.5066 55.1329 34.1787 175.6294 30 T 4.6279 8.3513 124.0890 63.6672 69.3599 173.4349 31 Y 4.4007 9.2987 125.3597 56.4498 39.3640 177.4841 32 G 3.6924 9.1201 113.0809 48.0289 0.0000 172.4130 33 N 5.2137 7.6000 117.3140 51.7123 40.7799 175.1590 34 K 3.9752 8.4052 121.2777 59.6927 32.2527 179.0587 35 C 4.6697 8.2919 119.6805 59.1411 37.8442 174.8809 36 N 4.3707 8.9945 118.9563 56.6903 38.5534 176.4307 37 F 3.6040 8.4141 122.0015 61.5735 39.4921 176.4435 38 C 3.6703 8.5223 116.2183 59.8596 37.8762 175.9679 39 N 4.2503 8.1330 117.8305 55.9659 38.0651 177.4023 40 A 3.9087 7.6087 122.0108 54.8501 18.4295 179.6837 41 V 3.1305 7.1472 116.8650 65.9669 31.4961 178.2352 42 V 3.5055 7.3978 117.7141 66.2141 31.1893 177.6489 43 E 4.1652 8.3175 117.7962 58.5673 29.6728 177.8065 44 S 4.4475 7.8405 112.8002 57.0960 63.5620 173.3948 45 N 4.3906 9.1461 120.0088 55.1900 37.3747 174.7225 46 G 3.8959 8.2366 102.0188 46.2657 0.0000 175.3641 47 T 4.0493 7.4729 117.7570 65.4919 68.8012 175.5552 48 L 4.1113 7.6053 123.5797 54.8761 42.6322 175.5245 49 T 4.8456 8.9432 115.2447 59.5532 72.9583 172.0628 50 L 4.1854 8.3892 123.6697 54.7869 42.1610 176.0387 51 S 4.3785 8.9949 122.9867 60.5893 62.8057 173.2742 52 H 4.3901 7.1224 112.1883 54.8507 31.3757 172.4040 53 F 4.3588 8.6485 117.4723 57.7606 39.6278 176.3372 54 G 3.9817 8.5184 109.4173 44.5102 0.0000 173.4511 55 K 4.1775 8.0530 117.4524 56.2260 32.6401 178.3228 56 C 4.5215 9.1047 118.3652 57.4777 41.0425 173.8327 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 6 V 8.05 4.09 2.15 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 1.02 0.00 0.00 0.97 0.00 0.00 7 D 8.80 4.72 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 5.17 0.00 2.93 2.90 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 9 S 8.85 4.16 0.00 3.99 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 0.00 10 E 8.34 4.45 0.00 1.68 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 2.30 2.41 0.00 11 Y 7.65 4.40 0.00 3.26 2.89 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 12 P 0.00 5.25 0.00 2.21 2.11 0.00 3.71 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 1.98 2.00 0.00 13 K 9.19 4.57 0.00 1.77 1.75 0.00 0.61 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.04 0.78 7.81 14 P 0.00 4.42 0.00 2.17 2.18 0.00 3.68 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 1.96 1.93 0.00 15 A 7.23 4.74 1.15 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 16 C 8.15 5.00 0.00 2.85 2.92 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 0.00 0.00 0.00 17 T 8.20 4.02 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 18 Y 7.97 5.18 0.00 3.00 2.88 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 19 E 8.22 4.37 0.00 2.16 2.02 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 2.34 2.29 0.00 20 Y 8.48 4.88 0.00 2.85 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 21 R 8.65 4.48 0.00 1.67 1.74 0.00 3.20 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 P 0.00 4.61 0.00 1.96 1.66 0.00 3.40 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 23 L 8.74 4.98 0.00 1.34 1.06 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.76 4.99 0.00 2.96 2.50 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 25 G 8.95 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.06 4.42 0.00 3.99 4.02 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 27 D 8.14 4.62 0.00 2.87 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 28 N 8.07 4.31 0.00 2.95 3.01 0.00 0.00 6.76 7.71 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 29 K 8.28 4.47 0.00 1.78 1.73 0.00 1.45 0.00 0.00 1.16 0.00 0.00 2.21 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.73 1.17 7.81 30 T 8.35 4.63 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 1.28 0.00 0.00 31 Y 9.30 4.40 0.00 3.07 3.05 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 G 9.12 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 33 N 7.60 5.21 0.00 3.01 3.09 0.00 0.00 6.37 7.38 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 34 K 8.41 3.98 0.00 1.89 1.91 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.60 1.50 7.81 35 C 8.29 4.67 0.00 3.20 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 36 N 8.99 4.37 0.00 3.18 3.14 0.00 0.00 6.89 7.29 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 37 F 8.41 3.60 0.00 3.08 3.12 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 38 C 8.52 3.67 0.00 1.56 1.46 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 39 N 8.13 4.25 0.00 2.86 2.90 0.00 0.00 6.87 7.19 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 40 A 7.61 3.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 3.13 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 0.79 0.00 0.00 -0.05 0.00 0.00 42 V 7.40 3.51 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 0.93 0.00 0.00 1.05 0.00 0.00 43 E 8.32 4.17 0.00 1.96 2.02 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 2.31 2.32 0.00 44 S 7.84 4.45 0.00 4.05 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 45 N 9.15 4.39 0.00 2.78 2.88 0.00 0.00 7.13 7.84 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 46 G 8.24 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 47 T 7.47 4.05 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 1.19 0.00 0.00 48 L 7.61 4.11 0.00 1.50 1.34 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.94 4.85 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 1.21 0.00 0.00 50 L 8.39 4.19 0.00 1.24 1.37 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.99 4.38 0.00 3.85 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 52 H 7.12 4.39 0.00 3.22 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.65 4.36 0.00 3.08 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 54 G 8.52 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 55 K 8.05 4.18 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.54 7.81 56 C 9.10 4.52 0.00 2.92 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