NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3604 8.1233 123.5828 51.7401 18.8936 177.4520 5 L 3.8270 8.5397 123.9054 57.9439 41.6833 177.9275 6 L 4.5815 8.1047 118.6947 57.6989 42.0040 179.1145 7 R 3.8862 7.9024 118.0604 59.5264 30.1426 178.2469 8 Q 3.9616 8.4793 117.8995 59.0125 28.7453 178.4545 9 A 3.6488 9.2353 121.6946 55.5019 18.3182 178.5981 10 Y 4.0620 8.0575 117.2750 61.3642 38.5947 178.5144 11 S 4.1679 8.2009 113.9428 62.0547 63.1330 176.5211 12 A 4.1127 8.1965 122.6180 53.8793 18.4521 178.4951 13 L 4.2956 8.1642 116.6109 56.2494 42.9977 178.5462 14 F 5.0064 7.2585 114.2582 58.7889 39.5939 177.1997 15 R 3.6227 7.4748 121.0090 58.9833 30.2326 177.0492 16 R 4.1888 7.6679 116.5138 55.8460 31.5735 177.5185 17 T 3.8915 8.6792 120.9930 66.7577 68.5212 176.6151 18 S 4.1691 8.0704 115.8430 61.8539 62.9787 176.6088 19 T 4.0187 7.9082 113.0373 63.9050 68.7467 176.3279 20 F 4.4211 8.8199 125.2893 60.6092 39.4038 176.9516 21 A 4.1576 8.3319 120.4650 55.1980 18.2643 179.2479 22 L 3.9319 7.9397 118.8300 58.6372 42.0167 179.4210 23 T 3.8234 8.1480 115.7627 66.6722 68.4057 176.7595 24 V 3.4688 7.8068 120.1115 66.4043 31.4291 177.6935 25 V 3.6671 7.9517 118.4205 65.2715 31.4265 177.4084 26 L 4.1107 8.4140 119.9424 58.3957 41.9200 179.7510 27 G 3.6340 8.7978 105.6945 47.6319 0.0000 175.6164 28 A 4.0202 7.9489 123.1876 54.9242 18.3343 179.5667 29 V 3.5790 8.2058 117.2829 66.5433 31.5933 178.3183 30 L 4.0564 8.0715 118.3785 57.6510 41.5132 179.1594 31 F 4.1251 8.6221 121.0002 61.5676 39.2048 176.2112 32 E 3.9946 9.1611 119.4465 58.8744 29.4277 178.5280 33 R 3.7955 8.0076 118.0975 59.6440 30.3186 178.2564 34 A 4.1777 7.8890 119.6759 54.5055 18.9501 179.3076 35 F 3.8656 8.2423 119.6291 61.3710 39.3019 176.9804 36 D 4.1527 8.4691 119.0740 57.0892 40.5960 178.2766 37 Q 4.0264 7.7436 117.0593 59.2218 28.7902 180.0316 38 G 3.4802 7.9265 105.8647 47.8249 0.0000 175.5345 39 A 3.8154 7.5005 123.8604 54.5866 18.2392 179.3506 40 D 4.3089 8.4278 117.5682 57.4312 40.9207 178.6561 41 A 3.9946 8.1790 121.3942 55.4593 18.3938 179.5795 42 I 3.6543 7.9974 118.1860 64.6097 37.0121 178.4240 43 F 4.1863 8.4199 120.3625 61.3402 39.4167 176.7706 44 E 3.9995 8.5327 118.2985 59.6298 29.1907 178.6435 45 H 4.0595 8.2823 118.2326 59.3729 29.7342 177.0880 46 L 4.0934 7.8374 118.8161 56.4855 41.9878 176.9733 47 N 4.9554 8.1008 117.5502 51.8922 39.6596 174.1672 48 E 4.0119 7.7208 117.1442 58.2761 30.0760 178.0423 49 G 4.0051 8.8819 109.2993 46.2362 0.0000 174.0385 50 K 4.3472 7.7935 118.5068 57.0174 33.6732 177.2933 51 L 4.3116 7.2694 118.2720 53.5295 42.6461 177.3326 52 W 4.2929 9.0514 131.8793 60.5422 30.7981 177.8053 53 K 3.7769 8.4037 117.7999 60.0100 31.7281 177.2711 54 H 4.3898 8.5180 115.6103 58.6899 29.0007 177.1138 55 I 3.7907 7.3700 111.0420 61.2224 37.9462 177.0321 56 K 2.5488 7.3879 123.2404 59.8483 31.6269 177.5750 57 H 4.0872 7.8593 114.4756 58.9737 27.8330 177.1759 58 K 3.7061 7.5442 119.5065 58.5338 31.8768 177.1053 59 Y 4.5320 7.5373 112.5081 57.5020 39.0535 176.1447 60 E 4.2795 7.7903 121.5705 55.6088 28.1137 175.5843 61 A 4.6574 7.7008 125.1731 51.2526 20.2037 176.1345 62 S 4.0648 7.9063 118.5872 60.9302 64.3026 176.0565 *63 E 4.1354 7.8520 122.4909 55.1183 30.1640 177.7319 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 4 A 8.12 4.36 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 5 L 8.54 3.83 0.00 1.80 1.73 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.10 4.58 0.00 1.72 1.79 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.90 3.89 0.00 1.88 2.11 0.00 3.17 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 8 Q 8.48 3.96 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 9 A 9.24 3.65 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 10 Y 8.06 4.06 0.00 3.33 3.30 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 0.00 11 S 8.20 4.17 0.00 4.08 3.95 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 12 A 8.20 4.11 1.20 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 0.00 0.00 0.00 13 L 8.16 4.30 0.00 0.55 1.31 0.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.26 5.01 0.00 2.87 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 15 R 7.47 3.62 0.00 1.47 1.79 0.00 3.46 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 16 R 7.67 4.19 0.00 1.90 1.85 0.00 3.20 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 17 T 8.68 3.89 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 1.15 0.00 0.00 18 S 8.07 4.17 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 7.91 4.02 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 1.21 0.00 0.00 20 F 8.82 4.42 0.00 3.27 3.20 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 0.00 21 A 8.33 4.16 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 0.00 0.00 22 L 7.94 3.93 0.00 1.96 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.15 3.82 4.29 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 1.17 0.00 0.00 24 V 7.81 3.47 2.27 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 1.01 0.00 0.00 1.09 0.00 0.00 25 V 7.95 3.67 2.23 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 0.93 0.00 0.00 0.98 0.00 0.00 26 L 8.41 4.11 0.00 1.81 1.76 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.80 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 0.00 0.00 0.00 28 A 7.95 4.02 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 29 V 8.21 3.58 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 1.05 0.00 0.00 1.02 0.00 0.00 30 L 8.07 4.06 0.00 1.82 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.62 4.13 0.00 3.22 3.24 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 0.00 0.00 0.00 0.00 32 E 9.16 3.99 0.00 2.25 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 0.00 2.60 2.42 0.00 33 R 8.01 3.80 0.00 1.89 2.13 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 34 A 7.89 4.18 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 8.24 3.87 0.00 1.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.15 0.00 2.68 2.64 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 37 Q 7.74 4.03 0.00 2.20 2.14 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 2.37 2.39 0.00 38 G 7.93 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.43 4.31 0.00 2.78 2.75 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 41 A 8.18 3.99 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 42 I 8.00 3.65 2.02 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 1.39 0.99 0.95 0.00 0.00 43 F 8.42 4.19 0.00 3.00 3.26 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 44 E 8.53 4.00 0.00 2.21 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 2.43 2.69 0.00 45 H 8.28 4.06 0.00 3.17 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.84 4.09 0.00 1.76 1.60 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.10 4.96 0.00 2.39 2.53 0.00 0.00 6.81 7.55 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 48 E 7.72 4.01 0.00 1.82 1.85 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 2.43 2.33 0.00 49 G 8.88 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 0.00 0.00 0.00 50 K 7.79 4.35 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 L 7.27 4.31 0.00 1.37 1.55 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.05 4.29 0.00 3.36 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 53 K 8.40 3.78 0.00 1.83 1.90 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.54 7.81 54 H 8.52 4.39 0.00 3.20 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.37 3.79 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.20 0.90 0.00 0.00 56 K 7.39 2.55 0.00 0.91 1.46 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 H 7.86 4.09 0.00 3.35 3.52 0.00 5.72 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 58 K 7.54 3.71 0.00 0.86 1.13 0.00 1.60 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.49 7.81 59 Y 7.54 4.53 0.00 3.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.28 0.00 1.98 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 0.00 2.34 2.30 0.00 61 A 7.70 4.66 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 62 S 7.91 4.06 0.00 4.01 3.97 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 *63 E 7.85 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.