NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7656 8.4444 120.4045 56.3853 31.0621 171.9931 6 F 4.6650 7.8062 124.3857 56.5723 42.0145 172.2153 7 F 4.3666 7.1194 126.4221 56.2156 43.2255 173.3528 8 E 4.0189 6.7953 127.2500 54.0410 29.2670 175.7355 9 G 3.6852 8.3043 116.5683 48.3433 0.0000 173.2023 10 T 3.7342 7.7909 115.8467 64.3051 68.6804 173.3940 11 E 4.5564 8.5410 125.2015 54.8227 31.7231 175.0322 12 K 4.6173 8.2413 118.9897 54.5575 34.2896 175.9155 13 L 4.7185 8.3230 123.6378 52.9883 44.7564 175.2162 14 L 4.7369 8.4954 126.6462 53.0519 44.6738 174.8767 15 E 4.6310 8.7498 125.6258 54.2593 32.3565 174.6915 16 V 4.3532 8.1980 124.4932 60.7788 34.5119 174.0439 17 W 4.5520 8.7383 126.4482 54.9587 30.9044 175.6102 18 F 4.5349 8.8653 122.0405 56.7687 40.2669 174.9485 19 S 3.9442 8.5026 117.5732 58.1949 62.2686 170.4506 *27 Q 4.1929 8.4558 119.9176 54.4892 31.0165 178.0148 28 G 3.9760 8.7127 107.7418 45.9834 0.0000 173.9444 29 S 4.5346 9.1183 113.1282 57.5578 69.7703 176.7744 30 G 3.9044 8.7325 107.2991 45.4113 0.0000 172.2830 31 D 4.6925 7.8640 118.6512 52.0672 44.1201 176.4221 32 L 4.0510 8.6051 126.3112 57.6654 41.8778 179.0218 33 R 4.3481 8.8897 116.6419 58.1269 30.1924 177.9368 34 T 3.9839 7.7626 115.2216 66.2502 68.6013 175.5036 35 I 3.4318 7.1986 121.7382 60.8590 37.6962 174.2036 36 P 4.4402 0.0000 0.0000 62.0489 32.3510 177.1817 37 R 4.2412 8.7511 120.0724 59.8894 29.8662 179.0269 38 S 4.1931 8.0105 113.6644 61.4479 62.9941 176.2504 39 E 3.9092 8.0240 122.0852 58.6503 29.0668 179.2445 40 W 4.6915 7.8249 118.5518 60.1938 29.2305 178.0335 41 D 4.5061 8.3372 118.7267 57.4068 40.2313 179.1387 42 I 3.6845 7.6091 119.7435 64.3197 37.2342 178.0798 43 L 4.0036 8.3014 121.5210 58.4219 41.8847 179.0760 44 L 4.1208 8.5259 118.8351 57.1421 41.6323 179.3530 45 K 4.0840 8.0313 120.2775 59.4819 31.8900 178.5289 46 D 4.4627 7.8160 117.9702 57.0781 40.7481 177.4612 47 V 4.1079 7.1647 110.1692 61.4178 31.5563 175.8900 48 Q 3.5975 7.9802 116.2724 56.6007 26.4790 172.8455 49 C 5.0661 8.2603 111.1622 57.5136 33.5065 172.3695 50 S 4.7571 8.6427 112.2483 56.9651 66.6384 173.0641 51 I 4.6312 8.3547 121.5794 61.0393 37.3398 176.0475 52 I 4.4793 8.4071 118.8793 60.7358 39.1134 175.3819 53 S 4.6021 7.5496 115.1028 57.6381 65.6062 173.9888 54 V 4.5445 8.2460 124.8433 61.4680 34.5600 174.5226 55 T 4.4717 8.8178 123.8644 62.0079 71.9475 173.5212 56 K 4.8706 8.5906 125.8992 55.4104 34.5692 175.4886 57 T 4.5844 8.3804 111.0033 60.4111 71.8666 173.6145 58 D 4.5285 8.7556 121.0652 57.6423 40.7057 178.8200 59 K 4.3037 7.8670 115.7110 57.6189 33.1540 176.6983 60 Q 4.5955 8.0506 118.5677 54.4666 32.2406 172.4286 61 E 5.0726 8.7307 121.7529 54.4162 32.2551 175.0673 62 A 4.8970 8.9687 126.1446 50.2993 21.8293 174.5639 63 Y 5.0096 8.8503 119.3641 56.0808 41.1383 175.1829 64 V 4.3265 8.8091 123.6352 61.4103 33.5971 175.2147 65 L 5.2267 8.4380 127.3074 53.7020 44.5531 175.1549 66 S 4.6170 8.6770 113.0963 57.1038 66.3790 173.7269 67 E 4.2127 8.6503 124.0068 56.4244 29.4765 175.9847 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 5 H 8.44 4.77 0.00 3.19 3.32 0.00 5.74 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 6 F 7.81 4.66 0.00 3.09 2.84 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 7 F 7.12 4.37 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.80 4.02 0.00 1.89 1.47 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 2.13 2.22 0.00 9 G 8.30 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 10 T 7.79 3.73 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 1.20 0.00 0.00 11 E 8.54 4.56 0.00 1.92 1.87 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 2.24 2.58 0.00 12 K 8.24 4.62 0.00 1.71 1.69 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 13 L 8.32 4.72 0.00 1.52 1.49 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.50 4.74 0.00 1.56 1.47 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.75 4.63 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 16 V 8.20 4.35 1.95 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 0.10 0.00 0.00 0.88 0.00 0.00 17 W 8.74 4.55 0.00 3.18 3.15 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 18 F 8.87 4.53 0.00 3.05 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 19 S 8.50 3.94 0.00 4.12 4.01 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 *27 Q 8.46 4.19 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 28 G 8.71 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 S 9.12 4.53 0.00 3.92 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 30 G 8.73 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 31 D 7.86 4.69 0.00 2.61 2.46 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 32 L 8.61 4.05 0.00 1.79 1.78 0.99 0.60 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 33 R 8.89 4.35 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 34 T 7.76 3.98 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 1.16 0.00 0.00 35 I 7.20 3.43 1.35 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 -0.18 0.00 0.00 36 P 0.00 4.44 0.00 2.14 2.09 0.00 3.41 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 37 R 8.75 4.24 0.00 2.12 2.07 0.00 3.53 0.00 0.00 3.70 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 38 S 8.01 4.19 0.00 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 0.00 39 E 8.02 3.91 0.00 1.66 1.71 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 2.14 2.23 0.00 40 W 7.82 4.69 0.00 3.54 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 41 D 8.34 4.51 0.00 2.89 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 42 I 7.61 3.68 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.91 0.00 0.00 43 L 8.30 4.00 0.00 1.87 2.02 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.53 4.12 0.00 1.78 1.81 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.03 4.08 0.00 2.09 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 46 D 7.82 4.46 0.00 2.86 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 47 V 7.16 4.11 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 0.69 0.00 0.00 1.05 0.00 0.00 48 Q 7.98 3.60 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 49 C 8.26 5.07 0.00 3.16 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 50 S 8.64 4.76 0.00 3.93 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 51 I 8.35 4.63 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 1.11 0.00 0.00 52 I 8.41 4.48 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.92 0.00 0.00 53 S 7.55 4.60 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.54 1.87 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 0.13 0.00 0.00 0.77 0.00 0.00 55 T 8.82 4.47 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 1.16 0.00 0.00 56 K 8.59 4.87 0.00 1.58 1.70 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.28 7.81 57 T 8.38 4.58 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 1.19 0.00 0.00 58 D 8.76 4.53 0.00 2.69 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 59 K 7.87 4.30 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 Q 8.05 4.60 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 61 E 8.73 5.07 0.00 2.06 1.79 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 2.22 2.33 0.00 62 A 8.97 4.90 1.18 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 0.00 0.00 63 Y 8.85 5.01 0.00 2.59 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 64 V 8.81 4.33 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 1.05 0.00 0.00 0.92 0.00 0.00 65 L 8.44 5.23 0.00 1.56 1.68 0.87 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 66 S 8.68 4.62 0.00 3.86 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 4.21 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.