NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0095 8.0501 120.3937 62.9438 32.8577 176.3698 2 A 3.9573 8.1236 124.8751 52.8343 18.8601 177.7425 3 P 4.7473 0.0000 0.0000 62.6996 33.1773 170.1517 4 T 3.5215 8.0648 122.8594 63.7764 68.8635 173.2164 5 L 4.0621 8.4407 126.2655 59.1705 40.6018 179.7236 6 T 3.9861 7.9646 110.0191 64.4105 68.7896 176.4092 7 A 4.0748 7.9474 123.2089 55.1332 18.5635 179.4745 8 R 3.9135 7.9110 116.6413 59.2200 30.2146 178.6606 9 L 3.7777 7.9881 119.1561 57.3102 41.4771 178.8071 10 Y 4.1661 7.7805 119.5725 60.8003 38.7007 177.9321 11 S 3.9157 8.0642 113.4973 60.7651 63.1038 175.5251 12 L 4.3195 7.3849 120.9384 55.5412 42.0177 177.1889 13 L 4.5867 7.2804 114.8441 56.2470 44.4210 177.8683 14 F 5.0660 7.7503 115.1942 60.0879 38.7888 176.4382 15 R 3.4863 7.1274 120.4935 59.4453 30.3314 176.8413 16 R 4.2770 7.5256 116.2669 55.8604 32.3659 178.0130 17 T 4.0625 8.5100 119.4059 66.2973 68.4020 177.1807 18 S 4.1542 8.0673 116.5139 61.8801 63.2211 176.6440 19 T 3.9236 7.9005 113.9043 63.5183 68.6761 176.1218 20 F 4.3408 8.5248 123.6792 61.1858 39.4043 176.8428 21 A 3.9012 8.4172 120.5907 55.2259 18.2075 179.2099 22 L 3.8433 8.2276 119.1307 58.7710 41.9905 179.3756 23 T 3.8449 8.0768 115.5594 66.4900 68.3317 176.8026 24 I 3.5334 7.3727 121.4883 64.4188 36.6395 178.7306 25 V 3.5640 7.8839 119.2636 65.8689 31.3832 178.2451 26 V 3.5336 8.0186 118.3837 65.8640 31.3082 178.3392 27 G 3.6769 8.4696 105.7252 47.6952 0.0000 175.6039 28 A 4.0820 8.6963 123.3455 54.5371 18.2710 179.6110 29 L 3.9598 7.6280 118.2683 58.2273 42.3833 178.9106 30 F 4.7590 7.9621 117.2548 60.9502 38.9517 177.4670 31 F 4.3215 8.7245 120.2409 61.3225 39.1761 176.6346 32 E 3.9590 8.2803 119.0981 59.1555 28.8987 178.8957 33 R 3.8410 7.7997 117.0287 59.5383 30.0632 178.4823 34 A 3.6863 7.9723 119.6901 54.1489 18.1613 178.8962 35 F 4.0327 7.8356 119.0327 60.7370 39.9560 176.9134 36 D 4.3719 8.0735 118.4705 58.1050 40.6119 179.0548 37 Q 4.1254 7.9950 117.6063 59.0298 28.6323 178.6044 38 G 3.5630 8.1756 108.5236 46.9596 0.0000 175.2116 39 A 3.9547 7.8439 122.9473 54.3133 18.4938 179.4405 40 D 4.3066 7.8906 117.6571 57.4322 40.3293 178.6848 41 A 4.0335 8.4086 121.7937 55.2445 18.4735 179.7823 42 I 3.7673 7.3406 118.5318 64.4780 36.9404 177.9769 43 Y 4.3150 7.8082 119.6861 60.3211 38.9348 177.4903 44 E 4.1281 8.3413 119.9432 59.8505 29.4156 179.0282 45 H 4.1441 7.7221 113.8790 58.7062 28.8862 176.9080 46 I 3.9880 7.2318 117.3638 62.7927 37.4045 175.5539 47 N 5.0156 7.3834 117.6567 53.0611 39.1537 176.1462 48 E 3.8221 8.0724 119.3702 59.4417 30.1176 179.4184 49 G 4.0030 7.7934 101.5402 45.0218 0.0000 173.5773 50 K 4.1890 8.0190 117.8172 57.2953 33.3605 176.6942 51 L 4.7037 7.3035 120.1681 53.2036 43.4795 177.4879 52 W 4.1095 8.7284 130.3166 60.3575 30.3911 178.2927 53 K 3.7257 8.1517 118.5681 59.2682 31.6247 177.8069 54 H 4.4240 7.5980 115.2971 58.2089 29.1920 177.2087 55 I 3.3813 7.9216 121.0735 65.7020 36.8306 180.6678 56 K 3.4568 7.2862 117.3351 58.0220 33.8215 176.0677 57 H 4.3096 7.2376 115.5465 57.2908 29.0636 176.8280 58 K 3.9517 7.7350 120.4564 58.8042 31.9237 176.7402 59 Y 4.8749 6.9886 115.9683 55.3976 37.8441 173.1590 60 E 4.7303 8.0685 121.5141 53.8675 32.9593 175.3211 61 N 4.5782 8.8478 121.6944 53.6943 38.6689 174.9190 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 V 8.05 4.01 2.09 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 1.00 0.00 0.00 0.94 0.00 0.00 2 A 8.12 3.96 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 3 P 0.00 4.75 0.00 2.20 2.15 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 4 T 8.06 3.52 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 1.23 0.00 0.00 5 L 8.44 4.06 0.00 1.92 1.94 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.96 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 1.29 0.00 0.00 7 A 7.95 4.07 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 8 R 7.91 3.91 0.00 1.89 1.91 0.00 3.09 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 9 L 7.99 3.78 0.00 1.84 1.12 0.70 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.78 4.17 0.00 3.36 3.21 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 0.00 11 S 8.06 3.92 0.00 4.03 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 12 L 7.38 4.32 0.00 1.83 1.65 0.91 1.23 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 13 L 7.28 4.59 0.00 1.36 1.63 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.75 5.07 0.00 3.38 3.19 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 15 R 7.13 3.49 0.00 1.31 1.69 0.00 3.30 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 16 R 7.53 4.28 0.00 1.91 1.82 0.00 3.16 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 17 T 8.51 4.06 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 1.26 0.00 0.00 18 S 8.07 4.15 0.00 4.06 4.14 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 19 T 7.90 3.92 4.30 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 0.00 0.00 0.00 1.21 0.00 0.00 20 F 8.52 4.34 0.00 3.33 3.35 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 21 A 8.42 3.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 3.84 0.00 1.82 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.08 3.84 4.40 0.00 0.00 0.00 0.00 0.00 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 24 I 7.37 3.53 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.26 0.78 0.00 0.00 25 V 7.88 3.56 2.03 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 0.96 0.00 0.00 0.94 0.00 0.00 26 V 8.02 3.53 2.14 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 0.69 0.00 0.00 0.80 0.00 0.00 27 G 8.47 3.68 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 0.00 0.00 0.00 28 A 8.70 4.08 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 29 L 7.63 3.96 0.00 1.78 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.96 4.76 0.00 3.28 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 31 F 8.72 4.32 0.00 3.22 3.18 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 32 E 8.28 3.96 0.00 2.33 2.14 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 2.50 2.38 0.00 33 R 7.80 3.84 0.00 2.08 2.16 0.00 3.22 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 34 A 7.97 3.69 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 4.03 0.00 2.21 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.37 0.00 2.93 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 37 Q 8.00 4.13 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 38 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.31 0.00 2.74 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 41 A 8.41 4.03 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 42 I 7.34 3.77 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.92 0.00 0.00 43 Y 7.81 4.31 0.00 2.98 3.21 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 0.00 44 E 8.34 4.13 0.00 2.40 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 2.42 2.45 0.00 45 H 7.72 4.14 0.00 3.13 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.23 3.99 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.88 0.00 0.00 47 N 7.38 5.02 0.00 2.45 2.58 0.00 0.00 6.80 7.43 0.00 0.00 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 E 8.07 3.82 0.00 1.84 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 2.21 2.15 0.00 49 G 7.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.19 0.00 1.87 1.91 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.41 7.81 51 L 7.30 4.70 0.00 1.92 1.65 0.99 0.81 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 52 W 8.73 4.11 0.00 3.45 3.28 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 53 K 8.15 3.73 0.00 1.82 1.67 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.55 7.81 54 H 7.60 4.42 0.00 3.36 3.21 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.92 3.38 1.63 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.59 0.00 0.00 56 K 7.29 3.46 0.00 1.41 1.46 0.00 1.26 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.07 0.45 7.81 57 H 7.24 4.31 0.00 3.16 3.33 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.73 3.95 0.00 1.17 0.86 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.28 7.81 59 Y 6.99 4.87 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.73 0.00 1.87 1.78 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 2.19 2.24 0.00 61 N 8.85 4.58 0.00 2.79 2.74 0.00 0.00 6.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00