NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8456 8.3501 109.7333 45.2809 0.0000 172.9177 3 A 4.2639 8.2690 128.1690 50.7691 19.7307 174.6813 4 Q 4.5213 9.1215 120.9062 54.1842 31.7366 173.2703 5 V 4.7038 8.2236 123.1594 61.0818 33.8181 174.4740 6 S 4.7934 8.1215 121.6094 56.4390 67.1043 173.2636 7 T 4.6683 8.4256 110.2644 61.9701 69.2749 174.3220 8 Q 4.6232 8.8020 122.8774 54.5900 31.2703 174.8536 9 K 4.3506 8.4259 121.7880 55.9015 32.9249 176.6554 10 T 3.9542 8.6452 122.6490 64.3878 67.9006 174.1622 11 G 4.2793 8.2393 114.1202 44.3430 0.0000 173.7975 12 A 4.1720 8.6793 121.4063 54.5063 18.7411 177.4947 13 H 4.7577 7.2255 113.5011 54.1476 31.4867 174.3266 14 E 4.0906 8.9625 125.0581 56.9800 29.4018 176.6702 15 T 3.7015 8.1301 121.1834 61.9361 70.1761 172.9405 *23 S 4.2221 8.2254 116.4935 58.5791 63.0519 173.4453 24 I 4.3092 8.3838 126.6132 61.4080 39.1264 176.3919 25 I 4.4502 7.6875 116.5306 58.6704 36.2175 173.9391 26 H 5.5945 7.4560 117.8209 54.7054 32.3099 173.5735 27 Y 5.1210 9.1237 118.3012 55.4339 41.5374 174.1625 28 T 5.0031 8.6110 109.7191 59.9787 71.5340 172.6962 29 N 5.2151 9.1628 121.8942 52.1050 42.9884 172.9964 30 I 4.7923 7.8790 123.3789 59.6765 41.1822 174.5178 31 N 4.2868 8.6108 124.2107 52.8791 39.2895 174.6853 32 Y 4.5276 7.9914 118.9063 58.0445 39.2687 175.1121 33 Y 4.8497 7.5702 116.4525 55.9359 40.5939 175.9328 34 K 4.2603 8.7401 120.1860 57.7247 32.9355 176.8679 35 D 4.9752 7.8678 119.3783 51.9256 43.3535 177.0379 36 A 4.0201 8.6772 126.1622 54.9132 18.7305 179.3181 37 A 4.0679 8.0412 117.9847 55.4008 18.5273 179.0354 38 S 4.1508 8.0273 111.2033 61.1158 63.0822 174.8460 39 N 4.5015 7.7124 117.4089 52.9024 38.7120 174.6936 40 S 4.3673 8.2815 115.0409 57.5131 64.1070 173.5626 41 A 4.2102 8.1882 123.3033 52.4251 19.0504 177.9275 42 N 4.7542 8.2046 118.2703 52.1643 37.1563 176.8829 43 R 3.9826 7.7411 117.4922 58.3511 30.9428 178.0561 44 Q 3.8052 7.2535 116.1666 55.1378 29.0733 174.5029 45 D 4.4412 7.7516 118.2061 53.1142 41.6114 175.8169 46 F 5.2727 8.1891 125.0740 57.5026 39.6587 175.9130 47 T 4.0847 7.5987 116.5370 64.0555 68.7219 173.8835 48 Q 4.5063 8.1720 123.8786 55.2789 31.9218 173.2705 49 D 4.5421 8.4955 123.9125 52.5174 42.8417 172.9149 50 P 4.8021 0.0000 0.0000 63.1569 32.2476 178.4126 51 S 4.3198 8.0262 114.1693 60.3765 63.3142 176.7273 52 K 3.7636 7.7600 120.2514 58.9034 32.0189 177.8606 53 F 4.6827 7.5008 116.0989 59.7639 39.6499 177.3750 54 T 4.1881 8.3132 109.8915 64.0357 69.3697 175.1254 55 E 4.7743 8.0221 120.0045 54.8329 30.0114 173.0720 56 P 4.6255 0.0000 0.0000 63.7105 32.2421 177.2520 57 V 3.9057 7.2386 113.0937 61.2042 32.2819 175.9760 58 K 3.8791 8.9458 126.6286 59.3657 31.9704 176.1628 59 D 4.7503 7.7943 117.7451 52.4469 41.6079 176.8643 60 V 3.6544 8.3830 118.4923 61.5414 32.0920 175.6295 61 M 4.5977 8.3055 121.0033 53.1333 32.1921 175.4209 62 I 3.9221 8.1441 125.5784 60.6657 38.1069 177.2262 63 K 3.8850 8.9545 125.3901 59.6999 32.2104 178.2821 64 S 4.2594 8.2178 111.6306 61.2222 62.8808 175.0320 65 L 4.2426 7.0784 119.6213 53.0653 42.0166 175.2983 66 P 4.3975 0.0000 0.0000 62.5177 32.0940 176.8781 67 A 4.1032 8.6617 124.1579 54.8463 18.6342 178.0802 68 L 4.5678 7.7234 114.2700 53.9796 43.5965 176.3737 69 N 4.5030 8.7728 118.7502 53.4895 38.5772 173.9299 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 2 G 8.35 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 3 A 8.27 4.26 1.23 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 0.00 0.00 4 Q 9.12 4.52 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 5 V 8.22 4.70 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 0.76 0.00 0.00 0.87 0.00 0.00 6 S 8.12 4.79 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 4.67 4.31 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 1.25 0.00 0.00 8 Q 8.80 4.62 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 9 K 8.43 4.35 0.00 1.76 1.74 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 T 8.65 3.95 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 11 G 8.24 4.28 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 0.00 12 A 8.68 4.17 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.23 4.76 0.00 3.13 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.96 4.09 0.00 2.06 1.93 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 2.33 2.29 0.00 15 T 8.13 3.70 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 1.24 0.00 0.00 *23 S 8.23 4.22 0.00 3.88 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 24 I 8.38 4.31 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.90 0.00 0.00 25 I 7.69 4.45 1.92 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 1.14 1.39 0.93 0.00 0.00 26 H 7.46 5.59 0.00 3.14 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.12 5.12 0.00 3.06 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 28 T 8.61 5.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 29 N 9.16 5.22 0.00 2.87 2.61 0.00 0.00 6.89 7.26 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 30 I 7.88 4.79 1.79 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 1.31 0.74 0.84 0.00 0.00 31 N 8.61 4.29 0.00 2.61 2.68 0.00 0.00 6.98 7.46 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 32 Y 7.99 4.53 0.00 2.32 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.57 4.85 0.00 3.00 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 34 K 8.74 4.26 0.00 1.81 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 35 D 7.87 4.98 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.02 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 37 A 8.04 4.07 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 38 S 8.03 4.15 0.00 4.11 3.76 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 39 N 7.71 4.50 0.00 2.83 2.77 0.00 0.00 7.02 7.21 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 40 S 8.28 4.37 0.00 3.99 3.92 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 41 A 8.19 4.21 1.26 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 0.00 0.00 42 N 8.20 4.75 0.00 2.74 2.74 0.00 0.00 6.83 7.66 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 43 R 7.74 3.98 0.00 1.79 2.02 0.00 3.35 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 44 Q 7.25 3.81 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 45 D 7.75 4.44 0.00 2.51 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 46 F 8.19 5.27 0.00 3.07 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 47 T 7.60 4.08 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 1.24 0.00 0.00 48 Q 8.17 4.51 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 49 D 8.50 4.54 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.28 2.15 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 51 S 8.03 4.32 0.00 3.93 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 52 K 7.76 3.76 0.00 0.79 1.29 0.00 1.03 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.18 1.30 7.81 53 F 7.50 4.68 0.00 3.06 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 T 8.31 4.19 4.28 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 1.29 0.00 0.00 55 E 8.02 4.77 0.00 2.15 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 0.00 2.19 2.23 0.00 56 P 0.00 4.63 0.00 2.17 2.21 0.00 3.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.30 0.00 57 V 7.24 3.91 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 0.65 0.00 0.00 0.98 0.00 0.00 58 K 8.95 3.88 0.00 1.70 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 59 D 7.79 4.75 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.65 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 0.93 0.00 0.00 61 M 8.31 4.60 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 62 I 8.14 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.91 0.00 0.00 63 K 8.95 3.89 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 64 S 8.22 4.26 0.00 3.97 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 65 L 7.08 4.24 0.00 1.53 1.64 0.92 1.04 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 66 P 0.00 4.40 0.00 2.04 1.98 0.00 3.68 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 2.02 2.08 0.00 67 A 8.66 4.10 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 68 L 7.72 4.57 0.00 1.64 1.59 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.77 4.50 0.00 2.96 2.84 0.00 0.00 5.97 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 * Residues marked with a * may have inaccurate shift predictions.