NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1852 8.2549 119.6879 54.8857 31.8683 175.0514 2 P 4.0361 0.0000 0.0000 62.2437 31.8450 176.3739 3 D 4.3988 8.4018 121.6655 57.0202 41.8111 178.5903 4 F 4.3650 7.9256 114.6617 59.6392 37.6008 177.7950 5 C 4.6781 7.4791 116.0596 59.1433 40.0320 174.6927 6 L 4.3323 7.7772 118.7056 54.0715 42.0690 176.5242 7 E 4.3442 7.4883 119.3769 54.7110 30.3222 174.9725 8 P 4.3858 0.0000 0.0000 61.5349 32.1039 174.4069 9 P 3.5862 0.0000 0.0000 62.6888 31.3800 175.1346 10 Y 4.6515 7.8401 121.2365 56.1122 40.6912 175.4025 11 T 4.0654 8.3153 125.0342 65.0191 68.8992 176.0113 12 G 3.7095 6.7999 105.0486 44.0288 0.0000 171.2057 13 P 4.3088 0.0000 0.0000 64.5252 31.9326 177.7182 14 C 4.3923 7.7871 116.8009 57.3032 40.7223 172.8636 15 H 4.6941 8.3190 117.2566 56.0421 28.4960 175.4290 16 A 4.3251 7.7319 122.2688 51.0496 20.7207 177.7904 17 R 4.7277 8.0276 117.5546 54.4856 29.5138 172.9415 18 I 4.4047 8.3044 122.3222 59.0749 39.7718 175.3478 19 I 4.1759 8.2861 128.4495 61.3233 37.7231 175.4521 20 R 4.8625 8.3857 124.8582 54.8008 35.2623 173.3763 21 Y 5.6340 9.5833 117.6818 56.5408 41.2624 175.3457 22 F 5.7503 9.5714 117.1117 55.4180 42.0704 172.8247 23 Y 4.4601 10.0528 122.5370 57.0381 40.2272 173.9861 24 N 4.8039 8.0029 125.8176 51.3109 38.6821 174.6487 25 A 3.8090 8.2597 129.1975 54.8595 18.7876 179.0139 26 K 4.0496 7.9727 114.1658 58.9070 32.1964 178.0071 27 A 4.2109 7.9588 119.7285 51.8612 19.6421 177.9317 28 G 3.9821 9.0329 103.6830 45.0685 0.0000 172.5396 29 L 4.7836 6.8251 118.6181 54.3715 44.3822 175.0213 30 C 4.9449 8.6368 116.4778 56.2661 39.7128 173.1876 31 Q 4.8691 8.6753 123.5277 54.3020 32.4798 174.3685 32 T 4.8692 8.4678 113.0804 61.3726 70.6407 173.3911 33 F 5.0000 8.8882 116.9867 56.1305 42.0964 172.7454 34 V 4.4328 8.3995 119.4906 61.7229 32.2296 174.0888 35 Y 4.7875 8.7852 130.0921 56.1194 40.3389 176.4631 36 G 3.7251 8.3161 113.4094 46.4237 0.0000 175.1135 37 G 3.7705 6.3435 107.5204 45.1858 0.0000 172.4448 38 C 5.0094 6.7462 111.3774 54.4175 44.6120 173.2082 39 R 3.8389 8.8607 116.6733 57.1101 27.0516 176.8298 40 A 4.2154 8.3561 119.3017 52.4504 18.9798 178.4632 41 K 4.3255 8.2886 121.0702 54.9263 33.7642 177.4112 42 R 3.4416 8.0004 118.1791 58.8766 30.3459 177.6395 43 N 4.8517 7.7328 118.0928 51.4268 37.4868 174.4617 44 N 5.1332 6.6693 116.5956 52.8112 41.6745 173.0699 45 F 5.0377 9.6394 124.7738 55.6633 42.4853 176.4263 46 K 4.5799 8.8487 121.5190 57.9433 32.8546 177.7378 47 S 4.4579 7.7351 112.9413 55.4991 67.2038 174.6032 48 A 3.3688 7.2761 124.6745 54.8389 18.0163 179.8265 49 E 3.7231 7.7603 117.4238 59.5155 29.7163 178.5531 50 D 4.2721 7.9140 118.8929 57.4527 40.8516 178.0312 51 C 2.4500 7.5507 118.2602 59.0929 44.6368 175.7020 52 L 3.7980 7.8918 120.8091 57.7557 40.9454 179.6839 53 R 3.9260 7.9493 117.0798 58.5936 29.9933 178.2203 54 T 4.3524 7.1215 114.1253 64.3270 69.7692 174.7044 55 C 4.4930 8.1709 115.8469 55.6479 42.0346 173.9962 56 G 3.7861 7.3671 109.3287 47.4505 0.0000 174.0922 57 G 3.8501 8.9141 112.3057 45.1124 0.0000 173.0535 58 A 4.0631 7.2910 127.4539 52.3311 18.2534 177.4680 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 R 8.25 4.19 0.00 1.65 1.69 0.00 3.35 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 2 P 0.00 4.04 0.00 0.73 1.58 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 D 8.40 4.40 0.00 2.69 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 4 F 7.93 4.37 0.00 3.21 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 5 C 7.48 4.68 0.00 2.98 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 6 L 7.78 4.33 0.00 1.75 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.49 4.34 0.00 2.22 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 2.42 2.45 0.00 8 P 0.00 4.39 0.00 2.07 2.00 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.59 0.00 0.73 0.49 0.00 3.24 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.47 0.00 10 Y 7.84 4.65 0.00 2.78 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 11 T 8.32 4.07 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 1.19 0.00 0.00 12 G 6.80 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 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.14 2.17 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 14 C 7.79 4.39 0.00 2.79 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 15 H 8.32 4.69 0.00 3.10 3.22 0.00 5.69 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 16 A 7.73 4.33 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.03 4.73 0.00 1.73 1.75 0.00 3.19 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.30 4.40 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.97 0.00 0.00 19 I 8.29 4.18 1.81 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 1.26 0.41 0.70 0.00 0.00 20 R 8.39 4.86 0.00 0.85 1.92 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 21 Y 9.58 5.63 0.00 3.15 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 22 F 9.57 5.75 0.00 3.09 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 23 Y 10.05 4.46 0.00 3.08 3.02 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 24 N 8.00 4.80 0.00 2.25 2.43 0.00 0.00 6.72 8.90 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 25 A 8.26 3.81 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 26 K 7.97 4.05 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 27 A 7.96 4.21 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.03 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 29 L 6.83 4.78 0.00 1.70 1.73 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.64 4.94 0.00 2.90 3.16 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 31 Q 8.68 4.87 0.00 1.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 32 T 8.47 4.87 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 0.79 0.00 0.00 33 F 8.89 5.00 0.00 3.03 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 34 V 8.40 4.43 2.08 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.79 4.79 0.00 2.54 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 36 G 8.32 3.73 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 0.00 0.00 0.00 37 G 6.34 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.75 5.01 0.00 3.05 2.97 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 0.00 0.00 0.00 39 R 8.86 3.84 0.00 2.24 2.25 0.00 3.27 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.36 4.22 0.92 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 0.00 0.00 41 K 8.29 4.33 0.00 1.72 1.66 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 1.07 7.81 42 R 8.00 3.44 0.00 0.88 0.66 0.00 2.53 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 43 N 7.73 4.85 0.00 3.23 2.89 0.00 0.00 6.69 7.79 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 44 N 6.67 5.13 0.00 2.67 2.57 0.00 0.00 7.08 7.02 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 45 F 9.64 5.04 0.00 3.27 2.98 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 46 K 8.85 4.58 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.74 4.46 0.00 3.84 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 48 A 7.28 3.37 0.92 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 0.00 0.00 49 E 7.76 3.72 0.00 1.94 1.86 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 2.31 2.33 0.00 50 D 7.91 4.27 0.00 2.97 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 51 C 7.55 2.45 0.00 2.70 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 52 L 7.89 3.80 0.00 1.72 1.61 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.95 3.93 0.00 1.83 1.94 0.00 3.10 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 54 T 7.12 4.35 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 1.61 0.00 0.00 55 C 8.17 4.49 0.00 2.70 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 0.00 0.00 0.00 0.00 56 G 7.37 3.79 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 0.00 0.00 0.00 57 G 8.91 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.29 4.06 1.13 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