NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2269 8.1076 123.5912 51.8682 20.5319 176.4344 2 R 4.5065 7.9292 114.7899 54.1473 29.4825 173.4852 3 K 4.9016 8.1377 130.4515 57.3429 34.4865 175.2600 4 F 4.7306 8.1139 111.6526 57.6738 40.2073 171.1591 5 Y 3.8069 6.6150 115.3497 57.4582 42.2194 170.5832 6 V 4.4692 8.0066 118.0753 62.6580 34.3197 175.2331 7 D 4.6107 8.1239 118.4165 53.7077 42.9650 177.6209 8 Q 4.5874 8.6145 130.5415 55.5052 27.7747 178.1137 9 D 4.5807 9.6568 118.7087 54.9491 42.3521 176.1588 10 E 4.5859 8.0570 117.9901 55.6613 30.1128 174.2770 11 C 4.4066 8.0975 117.9653 57.8562 31.9166 172.9704 12 I 3.9701 8.4095 119.5941 60.2094 38.1754 175.1613 13 A 3.6078 7.6830 123.1288 53.4784 14.5914 177.1263 14 C 4.3427 7.5270 114.9391 56.6343 31.3872 175.9437 15 E 3.8217 8.2776 119.6483 56.8129 27.6016 175.4205 16 S 4.1224 7.0851 112.4571 61.6084 62.8133 175.7123 17 C 3.7421 7.7268 117.5272 60.8271 29.2684 175.9978 18 V 3.7809 7.6867 120.8013 65.7361 30.5950 177.7010 19 E 4.0692 8.1468 117.6335 59.0313 29.3804 177.8045 20 I 4.0342 7.9359 117.0551 61.0292 37.9304 175.8471 21 A 4.9394 7.2788 124.4613 51.9530 21.1713 175.7772 22 P 4.6039 0.0000 0.0000 63.0434 32.2544 178.2691 23 G 3.8436 8.0799 107.6418 46.7695 0.0000 174.0793 24 A 4.5883 8.0035 119.5344 53.4336 21.2122 176.8112 25 F 5.1306 8.5220 116.6156 57.9689 40.2875 174.4050 26 A 4.5647 8.8462 122.7944 51.4201 22.0202 175.7768 27 M 5.1390 8.7315 120.8909 54.9468 33.1656 174.9559 28 D 4.9127 8.2791 119.2611 51.8569 44.9221 174.5044 29 P 4.3869 0.0000 0.0000 64.0548 32.0875 176.6826 30 E 4.2234 8.1006 119.1191 57.2189 30.0349 176.2780 31 I 4.1928 7.5037 109.1001 60.4562 38.7116 175.1834 32 E 3.8870 8.1986 120.5863 56.5100 27.6569 175.0115 33 K 4.4537 7.6118 114.4038 55.1240 36.5719 175.2934 34 A 4.6383 9.0032 125.3355 53.3728 19.1915 176.2097 35 Y 5.4401 9.2650 117.4063 54.6327 42.2705 174.1645 36 V 3.6195 7.8056 117.9685 61.2529 31.7692 174.8250 37 K 3.8683 7.6264 123.9551 57.0813 33.5372 176.4114 38 D 4.6033 7.5766 120.5663 52.9279 41.6310 177.0854 39 V 4.1651 8.4131 120.1472 63.1769 31.9101 176.4409 40 E 4.4836 9.5749 120.9189 55.8355 29.7319 176.9976 41 G 3.6457 7.7346 104.6620 47.4114 0.0000 173.9847 42 A 4.5674 7.3758 122.7028 49.6427 22.2861 177.0415 43 S 4.4127 8.7161 119.0855 57.8972 64.9997 175.5860 44 Q 3.9989 8.6261 121.7632 59.5965 28.3531 179.2037 45 E 4.2552 8.2074 117.3008 57.9636 29.5199 178.2163 46 E 4.2452 7.6931 118.4993 58.2306 30.4499 178.0713 47 V 3.5709 8.2503 118.0517 65.9153 31.7012 177.7534 48 E 4.1551 8.6652 118.6090 59.3734 29.3689 178.7575 49 E 3.9287 7.8848 118.4314 59.6930 29.3883 179.5461 50 A 4.3076 8.4483 121.5487 54.2149 18.1550 178.8546 51 M 3.8324 7.9964 115.9580 57.4126 32.4102 176.6118 52 D 5.0034 7.7778 117.7854 54.7252 42.8110 177.9595 53 T 3.9195 7.7238 116.1378 65.8374 68.6818 173.9573 54 C 4.0886 6.7284 119.1297 59.1500 31.7890 171.6485 55 P 4.3505 0.0000 0.0000 65.7020 31.5288 177.9373 56 V 3.6406 7.5760 119.8287 62.6923 31.9149 174.9805 57 Q 3.4029 7.8351 118.9468 56.7840 24.8438 172.5818 58 C 4.5185 7.7215 116.9246 59.1696 32.2136 171.7339 59 I 4.4833 6.9300 117.1680 59.3130 39.7340 174.2255 60 H 4.8903 8.1188 123.5722 54.6987 33.8884 171.9487 61 W 5.1122 8.9198 119.3796 56.1518 31.7357 176.6403 62 E 4.6660 9.0285 121.1901 56.0444 29.5887 173.9970 63 D 5.3797 8.7144 125.2369 52.9936 40.0839 177.1659 *64 E 4.2472 8.0018 121.7161 56.6270 30.4272 179.4425 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 A 8.11 4.23 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 2 R 7.93 4.51 0.00 2.10 2.00 0.00 3.07 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 3 K 8.14 4.90 0.00 1.88 1.97 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.57 7.81 4 F 8.11 4.73 0.00 3.00 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 5 Y 6.61 3.81 0.00 2.98 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 6 V 8.01 4.47 2.34 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 1.26 0.00 0.00 0.54 0.00 0.00 7 D 8.12 4.61 0.00 3.02 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.59 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 9 D 9.66 4.58 0.00 2.66 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 10 E 8.06 4.59 0.00 1.93 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 2.18 2.32 0.00 11 C 8.10 4.41 0.00 3.01 2.86 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 0.00 0.00 0.00 12 I 8.41 3.97 1.86 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 1.32 0.71 0.90 0.00 0.00 13 A 7.68 3.61 1.34 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 0.00 0.00 14 C 7.53 4.34 0.00 3.07 3.13 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 15 E 8.28 3.82 0.00 2.10 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 2.15 2.27 0.00 16 S 7.09 4.12 0.00 4.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.73 3.74 0.00 2.56 2.82 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 0.00 0.00 0.00 18 V 7.69 3.78 2.20 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 1.28 0.00 0.00 0.98 0.00 0.00 19 E 8.15 4.07 0.00 2.27 1.98 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 2.34 2.67 0.00 20 I 7.94 4.03 1.96 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 1.21 0.43 0.97 0.00 0.00 21 A 7.28 4.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.23 2.26 0.00 3.79 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 2.02 1.98 0.00 23 G 8.08 3.84 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 0.00 0.00 0.00 24 A 8.00 4.59 1.40 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 0.00 0.00 0.00 25 F 8.52 5.13 0.00 3.24 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.85 4.56 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 27 M 8.73 5.14 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 28 D 8.28 4.91 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 30 E 8.10 4.22 0.00 1.94 2.01 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 2.24 2.23 0.00 31 I 7.50 4.19 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.95 0.00 0.00 32 E 8.20 3.89 0.00 2.02 2.12 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 2.33 2.40 0.00 33 K 7.61 4.45 0.00 1.90 1.68 0.00 1.83 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.36 7.81 34 A 9.00 4.64 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 0.00 0.00 0.00 0.00 0.00 35 Y 9.27 5.44 0.00 2.80 2.99 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 0.00 0.00 0.00 0.00 36 V 7.81 3.62 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 37 K 7.63 3.87 0.00 1.14 1.42 0.00 1.26 0.00 0.00 0.82 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.41 7.81 38 D 7.58 4.60 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.41 4.17 2.34 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 0.88 0.00 0.00 0.99 0.00 0.00 40 E 9.57 4.48 0.00 1.97 1.91 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 2.24 2.29 0.00 41 G 7.73 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 0.00 0.00 0.00 42 A 7.38 4.57 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 43 S 8.72 4.41 0.00 3.90 3.81 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 44 Q 8.63 4.00 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 45 E 8.21 4.26 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 46 E 7.69 4.25 0.00 2.09 2.19 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 2.33 2.38 0.00 47 V 8.25 3.57 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 -0.08 0.00 0.00 0.76 0.00 0.00 48 E 8.67 4.16 0.00 2.34 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 0.00 2.56 2.59 0.00 49 E 7.88 3.93 0.00 2.16 2.00 0.00 0.00 0.00 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 2.41 0.00 50 A 8.45 4.31 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 51 M 8.00 3.83 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 52 D 7.78 5.00 0.00 2.67 2.65 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 53 T 7.72 3.92 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 1.17 0.00 0.00 54 C 6.73 4.09 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.35 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 56 V 7.58 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 57 Q 7.84 3.40 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 58 C 7.72 4.52 0.00 2.97 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 59 I 6.93 4.48 1.92 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.51 0.82 0.00 0.00 60 H 8.12 4.89 0.00 2.97 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.92 5.11 0.00 3.24 3.59 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 62 E 9.03 4.67 0.00 2.35 2.12 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 2.21 2.42 0.00 63 D 8.71 5.38 0.00 2.84 2.79 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 *64 E 8.00 4.25 0.00 1.75 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 2.16 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.