REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2r5k_1_E DATA FIRST_RESID 19 DATA SEQUENCE AVVATDAYVK RTNIFYHASS SRLLAVGHPY YSIKKVNKTV VPKVSGYQYR DATA SEQUENCE VFKVVLPDPN KFALPDSSLF DPTTQRLVWA CTGLEVGRGQ PLGVGVSGHP DATA SEQUENCE LLNKYDDVEN SGGYGGNPGQ DNRVNVGMDY KQTQLCMVGC APPLGEHWGK DATA SEQUENCE GTQSSNTSVQ NGDCPPLELI TSVIQDGDMV DTGFGAMNFA DLQTNKSDVP DATA SEQUENCE LDICGTVCKY PDYLQMAADP YGDRLFFYLR KEQMFARHFF NRAGTVGEPV DATA SEQUENCE PDDLLVKGGN NRSSVASSIY VHTPSGSLVS SEAQLFNKPY WLQKAQGHNN DATA SEQUENCE GICWGNHLSV TVVDTTRSTN MTLCASVSKS ATYTNSDYKE YMRHVEEFDL DATA SEQUENCE QFIFQLCSIT LSAEVMAYIH TMNPSVLEDW NXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXKQDPYK DMSFWEVNLK EKFSSELDQF PLGRKFLLQS DATA SEQUENCE GY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.615 177.584 0.052 0.000 1.274 19 A CA 0.000 52.050 52.037 0.022 0.000 0.836 19 A CB 0.000 19.011 19.000 0.019 0.000 0.831 20 V N 2.333 122.232 119.914 -0.026 0.000 2.583 20 V HA 0.501 4.623 4.120 0.002 0.000 0.287 20 V C 0.780 176.762 176.094 -0.187 0.000 1.051 20 V CA 0.141 62.430 62.300 -0.018 0.000 1.010 20 V CB 1.162 32.846 31.823 -0.232 0.000 0.988 20 V HN 1.494 nan 8.190 nan 0.000 0.478 21 V N 2.371 122.254 119.914 -0.052 0.000 2.769 21 V HA 0.952 5.073 4.120 0.002 0.000 0.312 21 V C 0.322 176.419 176.094 0.004 0.000 1.058 21 V CA -0.914 61.287 62.300 -0.166 0.000 0.952 21 V CB 1.596 33.295 31.823 -0.206 0.000 1.019 21 V HN 1.063 nan 8.190 nan 0.000 0.445 22 A N 2.709 125.610 122.820 0.136 0.000 2.488 22 A HA 0.434 4.755 4.320 0.002 0.000 0.249 22 A C 1.557 179.302 177.584 0.269 0.000 1.083 22 A CA 0.421 52.673 52.037 0.358 0.000 0.768 22 A CB 0.179 19.381 19.000 0.335 0.000 1.017 22 A HN 1.750 nan 8.150 nan 0.000 0.496 23 T N -0.130 114.558 114.554 0.223 0.000 2.778 23 T HA -0.191 4.160 4.350 0.002 0.000 0.269 23 T C 0.811 175.354 174.700 -0.262 0.000 1.050 23 T CA 1.893 63.880 62.100 -0.188 0.000 1.137 23 T CB -0.485 68.342 68.868 -0.069 0.000 0.860 23 T HN 0.611 nan 8.240 nan 0.000 0.468 24 D N 1.781 122.154 120.400 -0.044 0.000 2.354 24 D HA 0.080 4.721 4.640 0.002 0.000 0.216 24 D C 2.010 178.304 176.300 -0.010 0.000 0.970 24 D CA 1.036 55.018 54.000 -0.029 0.000 0.905 24 D CB -0.375 40.441 40.800 0.028 0.000 0.903 24 D HN 0.696 nan 8.370 nan 0.000 0.508 25 A N -0.325 122.512 122.820 0.027 0.000 2.095 25 A HA 0.007 4.328 4.320 0.002 0.000 0.212 25 A C 1.174 178.859 177.584 0.167 0.000 1.162 25 A CA 0.192 52.290 52.037 0.103 0.000 0.753 25 A CB -0.240 18.846 19.000 0.143 0.000 0.840 25 A HN 0.411 nan 8.150 nan 0.000 0.468 26 Y N -3.543 116.785 120.300 0.047 0.000 2.717 26 Y HA 0.640 5.191 4.550 0.002 0.000 0.250 26 Y C -0.460 175.507 175.900 0.112 0.000 1.149 26 Y CA -0.716 57.424 58.100 0.067 0.000 1.211 26 Y CB 0.063 38.557 38.460 0.058 0.000 1.289 26 Y HN -0.131 nan 8.280 nan 0.000 0.552 27 V N 3.618 123.436 119.914 -0.160 0.000 2.325 27 V HA 0.320 4.442 4.120 0.002 0.000 0.280 27 V C -0.649 175.397 176.094 -0.080 0.000 1.016 27 V CA -1.078 61.148 62.300 -0.123 0.000 0.818 27 V CB 1.151 32.824 31.823 -0.250 0.000 1.019 27 V HN 0.079 nan 8.190 nan 0.000 0.434 28 K N 4.901 125.276 120.400 -0.042 0.000 2.298 28 K HA 0.473 4.795 4.320 0.002 0.000 0.280 28 K C 0.115 176.669 176.600 -0.077 0.000 1.032 28 K CA -0.280 55.980 56.287 -0.045 0.000 0.958 28 K CB 1.003 33.486 32.500 -0.028 0.000 0.978 28 K HN 0.480 nan 8.250 nan 0.000 0.472 29 R N 0.784 121.243 120.500 -0.067 0.000 2.596 29 R HA 0.407 4.748 4.340 0.002 0.000 0.267 29 R C 0.732 176.977 176.300 -0.093 0.000 1.026 29 R CA -0.414 55.635 56.100 -0.084 0.000 1.087 29 R CB 1.232 31.503 30.300 -0.049 0.000 1.132 29 R HN 0.891 nan 8.270 nan 0.000 0.531 30 T N -3.204 111.268 114.554 -0.137 0.000 2.645 30 T HA 0.280 4.631 4.350 0.002 0.000 0.273 30 T C 0.377 174.977 174.700 -0.166 0.000 0.960 30 T CA -0.800 61.220 62.100 -0.132 0.000 1.051 30 T CB 1.118 69.896 68.868 -0.149 0.000 1.366 30 T HN 0.576 nan 8.240 nan 0.000 0.536 31 N N -0.397 118.232 118.700 -0.119 0.000 2.205 31 N HA 0.249 4.991 4.740 0.002 0.000 0.201 31 N C -0.274 175.176 175.510 -0.101 0.000 1.128 31 N CA -0.265 52.764 53.050 -0.034 0.000 0.867 31 N CB 0.229 38.758 38.487 0.070 0.000 0.996 31 N HN 0.468 nan 8.380 nan 0.000 0.503 32 I N 1.905 122.351 120.570 -0.207 0.000 2.421 32 I HA 0.148 4.319 4.170 0.002 0.000 0.291 32 I C -0.340 175.661 176.117 -0.193 0.000 1.089 32 I CA 0.296 61.545 61.300 -0.085 0.000 1.354 32 I CB -1.344 36.691 38.000 0.060 0.000 1.413 32 I HN -0.088 nan 8.210 nan 0.000 0.513 33 F N 6.177 126.198 119.950 0.119 0.000 2.522 33 F HA 0.583 5.112 4.527 0.002 0.000 0.324 33 F C -0.201 175.598 175.800 -0.003 0.000 1.077 33 F CA -0.593 57.478 58.000 0.118 0.000 0.944 33 F CB 1.821 40.855 39.000 0.056 0.000 1.175 33 F HN 0.218 nan 8.300 nan 0.000 0.468 34 Y N 0.356 120.749 120.300 0.155 0.000 2.576 34 Y HA 0.371 4.922 4.550 0.002 0.000 0.346 34 Y C -0.475 175.283 175.900 -0.237 0.000 1.018 34 Y CA -0.982 57.105 58.100 -0.022 0.000 1.050 34 Y CB 1.751 40.133 38.460 -0.129 0.000 1.280 34 Y HN 0.497 nan 8.280 nan 0.000 0.474 35 H N 1.249 120.180 119.070 -0.231 0.000 2.529 35 H HA 0.888 5.445 4.556 0.002 0.000 0.348 35 H C -1.738 173.243 175.328 -0.578 0.000 1.152 35 H CA -0.644 55.138 56.048 -0.444 0.000 1.202 35 H CB 1.751 31.164 29.762 -0.581 0.000 1.562 35 H HN 0.832 nan 8.280 nan 0.000 0.515 36 A N 2.797 124.909 122.820 -1.181 0.000 2.547 36 A HA 0.526 4.848 4.320 0.002 0.000 0.297 36 A C -1.242 176.052 177.584 -0.483 0.000 1.056 36 A CA -0.177 51.487 52.037 -0.622 0.000 0.688 36 A CB 1.243 19.945 19.000 -0.496 0.000 1.282 36 A HN 0.847 nan 8.150 nan 0.000 0.400 37 S N 0.041 115.678 115.700 -0.104 0.000 2.536 37 S HA 0.580 5.051 4.470 0.002 0.000 0.271 37 S C 0.474 175.119 174.600 0.074 0.000 1.134 37 S CA 0.160 58.374 58.200 0.023 0.000 0.897 37 S CB 1.462 64.737 63.200 0.126 0.000 1.094 37 S HN 1.794 nan 8.310 nan 0.000 0.473 38 S N 1.450 117.181 115.700 0.052 0.000 2.527 38 S HA 0.265 4.737 4.470 0.002 0.000 0.222 38 S C 1.015 175.636 174.600 0.035 0.000 0.985 38 S CA 0.535 58.755 58.200 0.032 0.000 0.921 38 S CB -1.272 61.901 63.200 -0.045 0.000 0.772 38 S HN 2.494 nan 8.310 nan 0.000 0.529 39 S N 1.056 116.778 115.700 0.036 0.000 3.513 39 S HA -0.308 4.163 4.470 0.002 0.000 0.636 39 S C -0.093 174.521 174.600 0.024 0.000 2.452 39 S CA 0.121 58.349 58.200 0.046 0.000 2.644 39 S CB -1.381 61.864 63.200 0.075 0.000 0.331 39 S HN 0.984 nan 8.310 nan 0.000 1.787 40 R N 0.655 121.179 120.500 0.040 0.000 2.538 40 R HA 0.436 4.777 4.340 0.002 0.000 0.282 40 R C -0.575 175.777 176.300 0.087 0.000 1.009 40 R CA 0.565 56.693 56.100 0.047 0.000 1.063 40 R CB -0.291 30.037 30.300 0.047 0.000 0.945 40 R HN 0.497 nan 8.270 nan 0.000 0.414 41 L N 6.141 127.429 121.223 0.109 0.000 2.406 41 L HA 0.424 4.765 4.340 0.002 0.000 0.272 41 L C -1.255 175.802 176.870 0.312 0.000 0.980 41 L CA -1.124 53.849 54.840 0.222 0.000 0.831 41 L CB 1.637 43.729 42.059 0.054 0.000 1.253 41 L HN 0.485 nan 8.230 nan 0.000 0.406 42 L N 2.848 124.293 121.223 0.370 0.000 2.346 42 L HA 0.842 5.183 4.340 0.002 0.000 0.274 42 L C -0.110 176.980 176.870 0.367 0.000 1.007 42 L CA -0.348 54.674 54.840 0.302 0.000 0.818 42 L CB 2.012 44.164 42.059 0.154 0.000 1.284 42 L HN 0.674 nan 8.230 nan 0.000 0.424 43 A N 2.781 125.776 122.820 0.293 0.000 2.359 43 A HA 0.859 5.181 4.320 0.002 0.000 0.303 43 A C -1.507 176.115 177.584 0.063 0.000 1.066 43 A CA -0.509 51.638 52.037 0.184 0.000 0.730 43 A CB 1.526 20.710 19.000 0.306 0.000 1.211 43 A HN 0.378 nan 8.150 nan 0.000 0.439 44 V N 2.355 122.281 119.914 0.020 0.000 2.532 44 V HA 0.800 4.921 4.120 0.002 0.000 0.294 44 V C 0.500 176.595 176.094 0.002 0.000 1.036 44 V CA 0.442 62.739 62.300 -0.006 0.000 0.876 44 V CB 1.217 33.035 31.823 -0.008 0.000 1.012 44 V HN 1.510 nan 8.190 nan 0.000 0.432 45 G N 2.442 111.249 108.800 0.013 0.000 2.772 45 G HA2 0.383 4.344 3.960 0.002 0.000 0.284 45 G HA3 0.383 4.344 3.960 0.002 0.000 0.284 45 G C -1.518 173.409 174.900 0.044 0.000 1.217 45 G CA -0.480 44.644 45.100 0.040 0.000 0.831 45 G HN 0.597 nan 8.290 nan 0.000 0.523 46 H N 1.968 121.015 119.070 -0.037 0.000 2.489 46 H HA 0.377 4.934 4.556 0.002 0.000 0.322 46 H C -1.465 173.765 175.328 -0.162 0.000 1.091 46 H CA -1.712 54.260 56.048 -0.127 0.000 1.291 46 H CB 2.679 32.362 29.762 -0.131 0.000 1.436 46 H HN 0.135 nan 8.280 nan 0.000 0.480 47 P HA -0.137 nan 4.420 nan 0.000 0.218 47 P C 0.616 177.872 177.300 -0.073 0.000 1.149 47 P CA 1.415 64.317 63.100 -0.331 0.000 0.817 47 P CB 0.210 31.490 31.700 -0.699 0.000 0.785 48 Y N -1.140 119.182 120.300 0.037 0.000 2.464 48 Y HA 0.119 4.670 4.550 0.002 0.000 0.288 48 Y C 1.065 176.990 175.900 0.042 0.000 1.133 48 Y CA -0.611 57.479 58.100 -0.016 0.000 1.223 48 Y CB 0.081 38.441 38.460 -0.166 0.000 1.187 48 Y HN -0.057 nan 8.280 nan 0.000 0.539 49 Y N -1.736 118.750 120.300 0.311 0.000 2.638 49 Y HA 0.558 5.109 4.550 0.001 0.000 0.335 49 Y C -0.512 175.366 175.900 -0.037 0.000 1.155 49 Y CA -2.755 55.383 58.100 0.063 0.000 1.046 49 Y CB 0.309 38.756 38.460 -0.022 0.000 1.303 49 Y HN -0.131 nan 8.280 nan 0.000 0.460 50 S N 0.835 116.669 115.700 0.224 0.000 2.592 50 S HA 0.623 5.094 4.470 0.002 0.000 0.271 50 S C -0.724 173.946 174.600 0.117 0.000 1.326 50 S CA -0.409 57.869 58.200 0.129 0.000 1.024 50 S CB 0.759 64.006 63.200 0.077 0.000 0.921 50 S HN 0.483 nan 8.310 nan 0.000 0.527 51 I N 2.578 123.195 120.570 0.079 0.000 2.388 51 I HA 0.284 4.455 4.170 0.002 0.000 0.281 51 I C 0.155 176.291 176.117 0.032 0.000 1.046 51 I CA -0.421 60.914 61.300 0.059 0.000 1.187 51 I CB 0.892 38.941 38.000 0.081 0.000 1.351 51 I HN 0.708 nan 8.210 nan 0.000 0.472 52 K N 5.450 125.857 120.400 0.012 0.000 2.185 52 K HA 0.442 4.764 4.320 0.002 0.000 0.269 52 K C -0.010 176.590 176.600 -0.000 0.000 0.987 52 K CA -0.854 55.434 56.287 0.003 0.000 0.865 52 K CB 1.191 33.687 32.500 -0.007 0.000 1.090 52 K HN 0.440 nan 8.250 nan 0.000 0.450 53 K N 1.883 122.285 120.400 0.003 0.000 3.245 53 K HA 0.063 4.384 4.320 0.002 0.000 0.285 53 K C -0.182 176.416 176.600 -0.004 0.000 1.156 53 K CA -0.324 55.966 56.287 0.004 0.000 1.162 53 K CB -0.601 31.903 32.500 0.007 0.000 1.365 53 K HN 0.484 nan 8.250 nan 0.000 0.316 54 V N -0.732 119.176 119.914 -0.011 0.000 3.774 54 V HA -0.401 3.720 4.120 0.002 0.000 0.216 54 V C -0.019 176.067 176.094 -0.013 0.000 0.441 54 V CA 1.967 64.258 62.300 -0.016 0.000 0.985 54 V CB -2.592 29.223 31.823 -0.014 0.000 1.085 54 V HN 0.857 nan 8.190 nan 0.000 1.240 55 N N -1.409 117.285 118.700 -0.011 0.000 3.085 55 N HA 0.278 5.020 4.740 0.002 0.000 0.270 55 N C -0.059 175.445 175.510 -0.009 0.000 1.319 55 N CA -0.150 52.894 53.050 -0.009 0.000 1.379 55 N CB 0.296 38.779 38.487 -0.007 0.000 0.903 55 N HN 0.247 nan 8.380 nan 0.000 1.080 56 K N 1.030 121.425 120.400 -0.008 0.000 2.123 56 K HA 0.463 4.784 4.320 0.002 0.000 0.248 56 K C -0.748 175.848 176.600 -0.006 0.000 0.969 56 K CA -0.268 56.014 56.287 -0.008 0.000 0.882 56 K CB 1.196 33.691 32.500 -0.008 0.000 1.080 56 K HN 0.139 nan 8.250 nan 0.000 0.441 57 T N 1.449 115.998 114.554 -0.008 0.000 2.752 57 T HA 0.159 4.510 4.350 0.002 0.000 0.295 57 T C 1.361 176.058 174.700 -0.004 0.000 0.923 57 T CA -0.359 61.739 62.100 -0.004 0.000 1.112 57 T CB 0.466 69.330 68.868 -0.007 0.000 0.884 57 T HN 0.245 nan 8.240 nan 0.000 0.525 58 V N 3.439 123.355 119.914 0.003 0.000 2.784 58 V HA 0.138 4.259 4.120 0.002 0.000 0.231 58 V C 0.885 176.982 176.094 0.005 0.000 1.128 58 V CA 0.090 62.391 62.300 0.001 0.000 1.178 58 V CB -0.021 31.804 31.823 0.004 0.000 0.943 58 V HN 0.578 nan 8.190 nan 0.000 0.500 59 V N 4.665 124.592 119.914 0.020 0.000 2.372 59 V HA 0.279 4.400 4.120 0.002 0.000 0.261 59 V C -2.002 174.118 176.094 0.044 0.000 1.055 59 V CA -1.374 60.946 62.300 0.034 0.000 0.930 59 V CB 0.626 32.485 31.823 0.060 0.000 1.031 59 V HN 0.400 nan 8.190 nan 0.000 0.479 60 P HA 0.190 nan 4.420 nan 0.000 0.276 60 P C -0.746 176.593 177.300 0.065 0.000 1.252 60 P CA -0.777 62.340 63.100 0.028 0.000 0.802 60 P CB 1.204 32.896 31.700 -0.013 0.000 1.035 61 K N 1.027 121.472 120.400 0.075 0.000 2.312 61 K HA 0.336 4.657 4.320 0.002 0.000 0.287 61 K C -1.165 175.497 176.600 0.103 0.000 1.062 61 K CA -0.429 55.925 56.287 0.111 0.000 0.934 61 K CB 0.106 32.682 32.500 0.127 0.000 1.027 61 K HN 0.193 nan 8.250 nan 0.000 0.478 62 V N 3.609 123.595 119.914 0.120 0.000 2.385 62 V HA 0.168 4.289 4.120 0.002 0.000 0.277 62 V C -0.452 175.785 176.094 0.238 0.000 1.012 62 V CA -0.791 61.597 62.300 0.148 0.000 0.832 62 V CB 1.035 32.919 31.823 0.102 0.000 1.028 62 V HN 0.788 nan 8.190 nan 0.000 0.436 63 S N 3.005 118.856 115.700 0.251 0.000 2.638 63 S HA 0.660 5.131 4.470 0.002 0.000 0.298 63 S C 1.369 176.142 174.600 0.289 0.000 1.111 63 S CA 0.280 58.641 58.200 0.267 0.000 1.027 63 S CB 1.883 65.243 63.200 0.267 0.000 1.064 63 S HN 0.851 nan 8.310 nan 0.000 0.525 64 G N 1.153 110.027 108.800 0.123 0.000 2.448 64 G HA2 -0.050 3.912 3.960 0.002 0.000 0.218 64 G HA3 -0.050 3.912 3.960 0.002 0.000 0.218 64 G C 0.320 175.121 174.900 -0.165 0.000 1.135 64 G CA 0.517 45.625 45.100 0.013 0.000 0.784 64 G HN 0.774 nan 8.290 nan 0.000 0.543 65 Y N 0.769 121.158 120.300 0.147 0.000 2.547 65 Y HA 0.351 4.902 4.550 0.002 0.000 0.325 65 Y C 1.268 177.228 175.900 0.100 0.000 1.165 65 Y CA -0.272 57.907 58.100 0.132 0.000 1.300 65 Y CB -0.123 38.460 38.460 0.205 0.000 1.126 65 Y HN 0.143 nan 8.280 nan 0.000 0.513 66 Q N -0.594 119.315 119.800 0.182 0.000 2.215 66 Q HA 0.325 4.666 4.340 0.002 0.000 0.256 66 Q C -1.177 174.896 176.000 0.123 0.000 0.972 66 Q CA -0.877 55.037 55.803 0.185 0.000 0.889 66 Q CB 1.237 30.097 28.738 0.203 0.000 1.281 66 Q HN 0.321 nan 8.270 nan 0.000 0.456 67 Y N 0.752 121.112 120.300 0.099 0.000 2.301 67 Y HA 0.307 4.858 4.550 0.002 0.000 0.325 67 Y C 0.045 175.949 175.900 0.006 0.000 1.203 67 Y CA -0.157 57.980 58.100 0.062 0.000 1.255 67 Y CB 0.957 39.437 38.460 0.032 0.000 1.232 67 Y HN 0.272 nan 8.280 nan 0.000 0.501 68 R N 2.614 123.184 120.500 0.118 0.000 2.358 68 R HA 0.357 4.698 4.340 0.002 0.000 0.309 68 R C -1.757 174.335 176.300 -0.346 0.000 1.026 68 R CA -0.675 55.295 56.100 -0.217 0.000 0.909 68 R CB 0.920 30.996 30.300 -0.373 0.000 1.153 68 R HN 0.406 nan 8.270 nan 0.000 0.515 69 V N 5.332 125.090 119.914 -0.260 0.000 2.294 69 V HA 0.373 4.495 4.120 0.002 0.000 0.272 69 V C -0.093 175.898 176.094 -0.173 0.000 1.027 69 V CA -0.612 61.625 62.300 -0.104 0.000 0.823 69 V CB 0.186 32.090 31.823 0.135 0.000 1.030 69 V HN 0.386 nan 8.190 nan 0.000 0.457 70 F N 3.263 123.226 119.950 0.021 0.000 2.420 70 F HA 0.394 4.922 4.527 0.002 0.000 0.352 70 F C 0.745 176.513 175.800 -0.053 0.000 1.108 70 F CA -0.403 57.586 58.000 -0.018 0.000 1.162 70 F CB 0.978 39.884 39.000 -0.157 0.000 1.118 70 F HN 0.289 nan 8.300 nan 0.000 0.510 71 K N 4.276 124.740 120.400 0.108 0.000 2.257 71 K HA 0.391 4.713 4.320 0.002 0.000 0.270 71 K C -1.258 175.324 176.600 -0.029 0.000 1.098 71 K CA -0.310 55.914 56.287 -0.106 0.000 0.943 71 K CB 0.574 32.958 32.500 -0.194 0.000 1.316 71 K HN 0.508 nan 8.250 nan 0.000 0.447 72 V N 5.154 125.041 119.914 -0.045 0.000 2.408 72 V HA 0.106 4.227 4.120 0.002 0.000 0.267 72 V C 0.072 176.104 176.094 -0.104 0.000 1.047 72 V CA -0.689 61.563 62.300 -0.080 0.000 0.937 72 V CB 1.171 32.877 31.823 -0.194 0.000 0.999 72 V HN 0.405 nan 8.190 nan 0.000 0.472 73 V N 7.452 127.323 119.914 -0.072 0.000 2.432 73 V HA 0.406 4.527 4.120 0.002 0.000 0.275 73 V C 0.167 176.172 176.094 -0.149 0.000 1.043 73 V CA -0.300 61.974 62.300 -0.043 0.000 0.925 73 V CB 1.301 33.127 31.823 0.005 0.000 0.985 73 V HN 0.616 nan 8.190 nan 0.000 0.466 74 L N 7.024 128.118 121.223 -0.214 0.000 2.352 74 L HA 0.596 4.937 4.340 0.002 0.000 0.269 74 L C -2.223 174.401 176.870 -0.410 0.000 1.034 74 L CA -1.985 52.575 54.840 -0.466 0.000 0.806 74 L CB 2.109 43.801 42.059 -0.612 0.000 1.244 74 L HN 0.407 nan 8.230 nan 0.000 0.447 75 P HA 0.022 nan 4.420 nan 0.000 0.280 75 P C -1.167 176.010 177.300 -0.205 0.000 1.244 75 P CA -0.340 62.502 63.100 -0.430 0.000 0.784 75 P CB 1.004 32.309 31.700 -0.658 0.000 0.913 76 D N 5.059 125.398 120.400 -0.102 0.000 2.349 76 D HA 0.012 4.653 4.640 0.002 0.000 0.266 76 D C -0.985 175.254 176.300 -0.101 0.000 1.293 76 D CA -1.820 52.148 54.000 -0.054 0.000 0.926 76 D CB 0.697 41.496 40.800 -0.001 0.000 1.090 76 D HN 0.228 nan 8.370 nan 0.000 0.502 77 P HA -0.135 nan 4.420 nan 0.000 0.221 77 P C 0.347 177.566 177.300 -0.136 0.000 1.145 77 P CA 0.593 63.477 63.100 -0.361 0.000 0.795 77 P CB 0.292 31.423 31.700 -0.949 0.000 0.775 78 N N 0.331 118.974 118.700 -0.094 0.000 2.466 78 N HA 0.005 4.746 4.740 0.002 0.000 0.211 78 N C 1.007 176.544 175.510 0.045 0.000 1.256 78 N CA 0.547 53.590 53.050 -0.011 0.000 0.840 78 N CB 0.151 38.627 38.487 -0.020 0.000 1.079 78 N HN 0.453 nan 8.380 nan 0.000 0.466 79 K N -0.987 119.458 120.400 0.074 0.000 2.937 79 K HA 0.063 4.385 4.320 0.002 0.000 0.194 79 K C 0.159 176.844 176.600 0.141 0.000 1.589 79 K CA -0.534 55.807 56.287 0.090 0.000 1.303 79 K CB 0.141 32.688 32.500 0.077 0.000 1.864 79 K HN -0.087 nan 8.250 nan 0.000 0.608 80 F N 3.208 123.140 119.950 -0.030 0.000 2.585 80 F HA -0.134 4.394 4.527 0.002 0.000 0.358 80 F C 0.238 176.044 175.800 0.011 0.000 1.068 80 F CA -0.035 57.953 58.000 -0.020 0.000 1.301 80 F CB 0.339 39.311 39.000 -0.045 0.000 0.964 80 F HN 0.159 nan 8.300 nan 0.000 0.608 81 A N 8.040 130.647 122.820 -0.355 0.000 2.341 81 A HA 0.554 4.875 4.320 0.002 0.000 0.326 81 A C -0.521 176.864 177.584 -0.332 0.000 1.402 81 A CA -0.694 51.187 52.037 -0.259 0.000 0.957 81 A CB -0.302 18.586 19.000 -0.187 0.000 1.151 81 A HN 0.714 nan 8.150 nan 0.000 0.533 82 L N 3.386 124.535 121.223 -0.124 0.000 2.456 82 L HA 0.340 4.681 4.340 0.002 0.000 0.257 82 L C -0.682 176.186 176.870 -0.003 0.000 1.162 82 L CA -1.612 53.218 54.840 -0.017 0.000 0.808 82 L CB 0.793 42.903 42.059 0.085 0.000 1.136 82 L HN 0.545 nan 8.230 nan 0.000 0.466 83 P HA -0.026 nan 4.420 nan 0.000 0.229 83 P C -0.284 177.033 177.300 0.029 0.000 1.160 83 P CA 0.740 63.855 63.100 0.026 0.000 0.777 83 P CB 0.288 32.012 31.700 0.040 0.000 0.814 84 D N -1.729 118.695 120.400 0.039 0.000 2.450 84 D HA 0.467 5.108 4.640 0.002 0.000 0.238 84 D C 0.067 176.397 176.300 0.050 0.000 1.020 84 D CA -0.801 53.223 54.000 0.040 0.000 1.010 84 D CB 1.520 42.344 40.800 0.041 0.000 1.342 84 D HN -0.368 nan 8.370 nan 0.000 0.530 85 S N -0.723 115.013 115.700 0.060 0.000 2.752 85 S HA 0.079 4.550 4.470 0.002 0.000 0.242 85 S C 0.429 175.096 174.600 0.111 0.000 0.914 85 S CA -0.287 57.968 58.200 0.092 0.000 1.427 85 S CB 0.219 63.460 63.200 0.067 0.000 1.244 85 S HN 0.360 nan 8.310 nan 0.000 0.655 86 S N 1.582 117.332 115.700 0.085 0.000 2.524 86 S HA 0.155 4.626 4.470 0.002 0.000 0.216 86 S C 1.604 176.272 174.600 0.113 0.000 0.987 86 S CA -0.112 58.133 58.200 0.076 0.000 0.909 86 S CB -0.166 63.061 63.200 0.044 0.000 0.781 86 S HN 0.562 nan 8.310 nan 0.000 0.521 87 L N 1.561 122.863 121.223 0.132 0.000 2.357 87 L HA -0.036 4.305 4.340 0.002 0.000 0.220 87 L C 0.214 177.240 176.870 0.261 0.000 1.123 87 L CA 1.091 56.001 54.840 0.116 0.000 0.782 87 L CB -0.096 41.959 42.059 -0.007 0.000 0.910 87 L HN 0.501 nan 8.230 nan 0.000 0.442 88 F N -3.655 116.272 119.950 -0.039 0.000 2.944 88 F HA 0.253 4.781 4.527 0.002 0.000 0.324 88 F C -1.538 174.233 175.800 -0.049 0.000 1.151 88 F CA -1.493 56.478 58.000 -0.049 0.000 0.883 88 F CB 0.262 39.221 39.000 -0.069 0.000 1.341 88 F HN -0.298 nan 8.300 nan 0.000 0.456 89 D N 3.616 123.806 120.400 -0.350 0.000 2.428 89 D HA 0.364 5.006 4.640 0.002 0.000 0.221 89 D C -1.590 174.272 176.300 -0.730 0.000 1.123 89 D CA -2.598 51.132 54.000 -0.450 0.000 0.869 89 D CB 1.347 42.026 40.800 -0.203 0.000 1.032 89 D HN 0.293 nan 8.370 nan 0.000 0.506 90 P HA -0.090 nan 4.420 nan 0.000 0.236 90 P C 0.567 177.659 177.300 -0.347 0.000 1.172 90 P CA 0.649 63.319 63.100 -0.718 0.000 0.759 90 P CB 0.332 31.724 31.700 -0.512 0.000 0.843 91 T N -1.278 113.109 114.554 -0.279 0.000 3.031 91 T HA -0.005 4.346 4.350 0.002 0.000 0.254 91 T C 1.681 176.308 174.700 -0.122 0.000 1.060 91 T CA 1.754 63.758 62.100 -0.160 0.000 1.135 91 T CB -0.219 68.574 68.868 -0.124 0.000 0.896 91 T HN 0.320 nan 8.240 nan 0.000 0.472 92 T N -0.166 114.309 114.554 -0.132 0.000 2.975 92 T HA 0.249 4.601 4.350 0.002 0.000 0.257 92 T C 0.460 175.123 174.700 -0.062 0.000 1.003 92 T CA -0.517 61.538 62.100 -0.075 0.000 0.932 92 T CB 0.137 68.974 68.868 -0.051 0.000 1.087 92 T HN 0.475 nan 8.240 nan 0.000 0.512 93 Q N 0.076 119.822 119.800 -0.089 0.000 2.451 93 Q HA 0.738 5.079 4.340 0.002 0.000 0.281 93 Q C -1.292 174.673 176.000 -0.058 0.000 1.099 93 Q CA -1.370 54.413 55.803 -0.034 0.000 0.806 93 Q CB 2.068 30.861 28.738 0.093 0.000 1.419 93 Q HN -0.075 nan 8.270 nan 0.000 0.427 94 R N 0.687 121.057 120.500 -0.218 0.000 2.888 94 R HA 0.622 4.964 4.340 0.002 0.000 0.266 94 R C -0.837 175.229 176.300 -0.390 0.000 1.020 94 R CA -0.910 54.908 56.100 -0.470 0.000 0.963 94 R CB 1.676 31.137 30.300 -1.398 0.000 1.197 94 R HN 0.650 nan 8.270 nan 0.000 0.481 95 L N 1.042 122.023 121.223 -0.402 0.000 2.334 95 L HA 0.678 5.019 4.340 0.002 0.000 0.275 95 L C -0.415 176.274 176.870 -0.302 0.000 1.036 95 L CA -0.994 53.604 54.840 -0.404 0.000 0.807 95 L CB 1.805 43.561 42.059 -0.506 0.000 1.231 95 L HN 0.144 nan 8.230 nan 0.000 0.438 96 V N 0.090 119.805 119.914 -0.331 0.000 2.932 96 V HA 0.332 4.453 4.120 0.002 0.000 0.307 96 V C -1.265 174.640 176.094 -0.315 0.000 1.147 96 V CA -0.860 61.308 62.300 -0.219 0.000 0.951 96 V CB 2.067 33.833 31.823 -0.094 0.000 1.031 96 V HN 0.643 nan 8.190 nan 0.000 0.426 97 W N 2.067 123.282 121.300 -0.142 0.000 2.351 97 W HA 0.712 5.373 4.660 0.002 0.000 0.311 97 W C 0.253 176.720 176.519 -0.086 0.000 1.168 97 W CA -0.334 56.932 57.345 -0.131 0.000 1.200 97 W CB 1.548 30.866 29.460 -0.237 0.000 1.221 97 W HN 0.727 nan 8.180 nan 0.000 0.519 98 A N 3.275 126.286 122.820 0.318 0.000 2.343 98 A HA 0.476 4.797 4.320 0.002 0.000 0.316 98 A C -1.040 176.706 177.584 0.269 0.000 1.104 98 A CA -0.673 51.456 52.037 0.154 0.000 0.768 98 A CB 0.830 19.841 19.000 0.019 0.000 1.213 98 A HN 0.737 nan 8.150 nan 0.000 0.456 99 C N 2.404 121.814 119.300 0.183 0.000 2.627 99 C HA 0.424 4.885 4.460 0.002 0.000 0.404 99 C C 1.612 176.577 174.990 -0.042 0.000 1.340 99 C CA 0.635 59.693 59.018 0.068 0.000 1.758 99 C CB -0.841 26.952 27.740 0.088 0.000 2.501 99 C HN 0.894 nan 8.230 nan 0.000 0.588 100 T N 3.321 117.832 114.554 -0.072 0.000 3.033 100 T HA 0.358 4.709 4.350 0.002 0.000 0.248 100 T C 0.645 175.391 174.700 0.076 0.000 1.040 100 T CA 0.958 63.083 62.100 0.041 0.000 1.133 100 T CB 0.191 69.115 68.868 0.093 0.000 0.895 100 T HN 0.997 nan 8.240 nan 0.000 0.465 101 G N 0.676 109.422 108.800 -0.090 0.000 2.579 101 G HA2 0.568 4.529 3.960 0.002 0.000 0.292 101 G HA3 0.568 4.529 3.960 0.002 0.000 0.292 101 G C -2.124 172.505 174.900 -0.452 0.000 1.484 101 G CA -0.842 44.121 45.100 -0.229 0.000 0.813 101 G HN 0.441 nan 8.290 nan 0.000 0.515 102 L N -1.894 118.983 121.223 -0.577 0.000 2.491 102 L HA 1.048 5.389 4.340 0.002 0.000 0.254 102 L C -1.285 175.156 176.870 -0.715 0.000 1.048 102 L CA -1.036 53.419 54.840 -0.642 0.000 0.855 102 L CB 2.669 44.388 42.059 -0.567 0.000 1.466 102 L HN 0.705 nan 8.230 nan 0.000 0.409 103 E N 0.900 120.677 120.200 -0.704 0.000 2.287 103 E HA 0.448 4.799 4.350 0.002 0.000 0.274 103 E C -1.896 174.426 176.600 -0.463 0.000 0.896 103 E CA -0.722 55.311 56.400 -0.612 0.000 0.788 103 E CB 2.488 31.885 29.700 -0.505 0.000 1.244 103 E HN 0.573 nan 8.360 nan 0.000 0.408 104 V N 4.427 124.175 119.914 -0.277 0.000 2.299 104 V HA 0.364 4.485 4.120 0.002 0.000 0.255 104 V C 0.878 176.913 176.094 -0.098 0.000 1.100 104 V CA 0.037 62.255 62.300 -0.137 0.000 0.938 104 V CB 0.601 32.495 31.823 0.119 0.000 1.139 104 V HN 0.732 nan 8.190 nan 0.000 0.490 105 G N 5.314 114.023 108.800 -0.151 0.000 2.441 105 G HA2 0.385 4.347 3.960 0.002 0.000 0.243 105 G HA3 0.385 4.347 3.960 0.002 0.000 0.243 105 G C -0.067 174.740 174.900 -0.155 0.000 1.281 105 G CA -0.422 44.604 45.100 -0.124 0.000 0.854 105 G HN 0.517 nan 8.290 nan 0.000 0.560 106 R N 1.500 121.901 120.500 -0.165 0.000 2.502 106 R HA 0.398 4.740 4.340 0.002 0.000 0.298 106 R C 0.435 176.616 176.300 -0.198 0.000 1.018 106 R CA -0.515 55.419 56.100 -0.277 0.000 0.899 106 R CB 1.656 31.787 30.300 -0.282 0.000 1.181 106 R HN 0.664 nan 8.270 nan 0.000 0.444 107 G N 1.001 109.669 108.800 -0.220 0.000 2.531 107 G HA2 0.377 4.338 3.960 0.002 0.000 0.281 107 G HA3 0.377 4.338 3.960 0.002 0.000 0.281 107 G C -0.769 174.047 174.900 -0.140 0.000 1.382 107 G CA -0.135 44.879 45.100 -0.143 0.000 1.045 107 G HN 0.410 nan 8.290 nan 0.000 0.533 108 Q N -1.313 118.429 119.800 -0.097 0.000 3.243 108 Q HA -0.131 4.211 4.340 0.002 0.000 0.024 108 Q C -2.498 173.466 176.000 -0.059 0.000 1.715 108 Q CA 0.450 56.206 55.803 -0.079 0.000 0.237 108 Q CB -1.401 27.275 28.738 -0.104 0.000 0.590 108 Q HN 0.595 nan 8.270 nan 0.000 0.322 109 P HA 0.257 nan 4.420 nan 0.000 0.274 109 P C -0.112 177.183 177.300 -0.010 0.000 1.256 109 P CA -0.592 62.497 63.100 -0.019 0.000 0.795 109 P CB 0.557 32.251 31.700 -0.010 0.000 1.038 110 L N 0.145 121.368 121.223 0.001 0.000 2.436 110 L HA 0.636 4.978 4.340 0.002 0.000 0.265 110 L C 1.161 178.042 176.870 0.018 0.000 1.168 110 L CA 1.140 55.988 54.840 0.012 0.000 0.815 110 L CB 0.108 42.178 42.059 0.019 0.000 1.109 110 L HN 0.836 nan 8.230 nan 0.000 0.462 111 G N 0.865 109.680 108.800 0.026 0.000 2.328 111 G HA2 0.503 4.464 3.960 0.002 0.000 0.295 111 G HA3 0.503 4.464 3.960 0.002 0.000 0.295 111 G C -1.688 173.233 174.900 0.035 0.000 1.413 111 G CA -0.114 45.004 45.100 0.030 0.000 0.817 111 G HN 0.713 nan 8.290 nan 0.000 0.546 112 V N -1.629 118.311 119.914 0.043 0.000 2.769 112 V HA 1.004 5.125 4.120 0.002 0.000 0.312 112 V C 0.504 176.630 176.094 0.053 0.000 1.058 112 V CA -0.218 62.121 62.300 0.066 0.000 0.952 112 V CB 1.702 33.576 31.823 0.086 0.000 1.019 112 V HN 1.815 nan 8.190 nan 0.000 0.445 113 G N 1.867 110.733 108.800 0.111 0.000 2.417 113 G HA2 0.586 4.547 3.960 0.002 0.000 0.320 113 G HA3 0.586 4.547 3.960 0.002 0.000 0.320 113 G C -0.743 174.183 174.900 0.043 0.000 1.204 113 G CA -0.645 44.500 45.100 0.075 0.000 0.923 113 G HN 0.967 nan 8.290 nan 0.000 0.466 114 V N 1.805 121.712 119.914 -0.011 0.000 2.546 114 V HA 0.540 4.661 4.120 0.002 0.000 0.284 114 V C 0.395 176.454 176.094 -0.058 0.000 1.050 114 V CA -0.276 61.985 62.300 -0.064 0.000 0.981 114 V CB 1.142 32.953 31.823 -0.020 0.000 0.990 114 V HN 0.728 nan 8.190 nan 0.000 0.474 115 S N 1.800 117.324 115.700 -0.293 0.000 2.599 115 S HA 0.962 5.433 4.470 0.002 0.000 0.294 115 S C 0.210 174.578 174.600 -0.386 0.000 1.094 115 S CA -0.107 57.833 58.200 -0.434 0.000 0.931 115 S CB 2.141 64.862 63.200 -0.800 0.000 1.093 115 S HN 1.223 nan 8.310 nan 0.000 0.488 116 G N 0.324 108.851 108.800 -0.455 0.000 2.634 116 G HA2 0.585 4.546 3.960 0.002 0.000 0.309 116 G HA3 0.585 4.546 3.960 0.002 0.000 0.309 116 G C -2.207 172.569 174.900 -0.206 0.000 1.299 116 G CA -0.385 44.568 45.100 -0.246 0.000 0.798 116 G HN 0.669 nan 8.290 nan 0.000 0.490 117 H N -0.436 118.524 119.070 -0.183 0.000 3.137 117 H HA 0.383 4.940 4.556 0.002 0.000 0.336 117 H C -2.364 172.908 175.328 -0.094 0.000 1.055 117 H CA -1.213 54.750 56.048 -0.142 0.000 1.349 117 H CB 2.756 32.433 29.762 -0.141 0.000 1.939 117 H HN 0.142 nan 8.280 nan 0.000 0.487 118 P HA 0.013 nan 4.420 nan 0.000 0.218 118 P C 0.297 177.660 177.300 0.106 0.000 1.149 118 P CA 1.065 64.251 63.100 0.144 0.000 0.817 118 P CB 0.489 32.255 31.700 0.109 0.000 0.785 119 L N -0.981 120.334 121.223 0.153 0.000 2.784 119 L HA 0.300 4.641 4.340 0.002 0.000 0.241 119 L C -0.224 176.326 176.870 -0.533 0.000 1.352 119 L CA -0.904 53.844 54.840 -0.154 0.000 0.911 119 L CB 0.454 42.470 42.059 -0.072 0.000 1.227 119 L HN -0.076 nan 8.230 nan 0.000 0.501 120 L N 1.142 122.112 121.223 -0.423 0.000 2.397 120 L HA 0.240 4.581 4.340 0.002 0.000 0.271 120 L C 0.927 177.635 176.870 -0.270 0.000 1.148 120 L CA 0.399 54.987 54.840 -0.420 0.000 0.825 120 L CB 0.647 42.573 42.059 -0.222 0.000 1.117 120 L HN 0.246 nan 8.230 nan 0.000 0.456 121 N N 4.610 123.174 118.700 -0.228 0.000 3.103 121 N HA -0.009 4.733 4.740 0.002 0.000 0.305 121 N C -0.822 174.632 175.510 -0.092 0.000 1.232 121 N CA 0.146 53.115 53.050 -0.134 0.000 1.190 121 N CB -0.243 38.183 38.487 -0.101 0.000 1.461 121 N HN 0.457 nan 8.380 nan 0.000 0.538 122 K N 3.173 123.483 120.400 -0.150 0.000 2.419 122 K HA 0.015 4.336 4.320 0.002 0.000 0.244 122 K C -0.025 176.472 176.600 -0.172 0.000 1.045 122 K CA -0.544 55.596 56.287 -0.245 0.000 1.004 122 K CB 0.238 32.384 32.500 -0.590 0.000 1.376 122 K HN 0.239 nan 8.250 nan 0.000 0.460 123 Y N 3.031 123.231 120.300 -0.168 0.000 2.277 123 Y HA 0.007 4.561 4.550 0.006 0.000 0.258 123 Y C 0.378 176.205 175.900 -0.122 0.000 1.056 123 Y CA 1.307 59.331 58.100 -0.126 0.000 1.057 123 Y CB 0.148 38.562 38.460 -0.076 0.000 1.018 123 Y HN 0.498 nan 8.280 nan 0.000 0.471 124 D N 0.505 120.738 120.400 -0.279 0.000 2.248 124 D HA 0.096 4.737 4.640 0.002 0.000 0.246 124 D C -1.522 174.767 176.300 -0.019 0.000 1.027 124 D CA -0.439 53.365 54.000 -0.326 0.000 0.853 124 D CB 1.290 41.866 40.800 -0.372 0.000 1.243 124 D HN 0.279 nan 8.370 nan 0.000 0.462 125 D N 2.039 122.441 120.400 0.003 0.000 2.339 125 D HA -0.007 4.634 4.640 0.002 0.000 0.256 125 D C 1.109 177.529 176.300 0.199 0.000 1.214 125 D CA -0.327 53.804 54.000 0.217 0.000 0.877 125 D CB 1.020 41.925 40.800 0.177 0.000 1.111 125 D HN 0.123 nan 8.370 nan 0.000 0.478 126 V N 1.464 121.547 119.914 0.281 0.000 3.650 126 V HA 0.113 4.235 4.120 0.002 0.000 0.271 126 V C 1.760 177.930 176.094 0.127 0.000 1.281 126 V CA 0.769 63.180 62.300 0.186 0.000 1.120 126 V CB -0.426 31.512 31.823 0.190 0.000 0.856 126 V HN 0.591 nan 8.190 nan 0.000 0.443 127 E N 1.566 121.905 120.200 0.231 0.000 2.058 127 E HA -0.214 4.137 4.350 0.002 0.000 0.194 127 E C 0.499 177.161 176.600 0.102 0.000 0.997 127 E CA 1.514 58.040 56.400 0.209 0.000 0.801 127 E CB 0.132 30.053 29.700 0.369 0.000 0.746 127 E HN 0.651 nan 8.360 nan 0.000 0.450 128 N N -0.191 118.577 118.700 0.113 0.000 2.747 128 N HA 0.087 4.829 4.740 0.002 0.000 0.262 128 N C -2.055 173.496 175.510 0.069 0.000 1.261 128 N CA -0.107 52.988 53.050 0.074 0.000 0.809 128 N CB 1.679 40.211 38.487 0.074 0.000 1.450 128 N HN 0.111 nan 8.380 nan 0.000 0.560 129 S N -0.224 115.509 115.700 0.055 0.000 2.500 129 S HA 0.747 5.218 4.470 0.002 0.000 0.301 129 S C 1.168 175.792 174.600 0.039 0.000 1.092 129 S CA -0.298 57.926 58.200 0.040 0.000 1.030 129 S CB 1.810 65.028 63.200 0.029 0.000 1.031 129 S HN 0.361 nan 8.310 nan 0.000 0.483 130 G N 2.532 111.351 108.800 0.030 0.000 2.768 130 G HA2 0.338 4.299 3.960 0.002 0.000 0.181 130 G HA3 0.338 4.299 3.960 0.002 0.000 0.181 130 G C 0.613 175.547 174.900 0.056 0.000 1.477 130 G CA 0.374 45.496 45.100 0.036 0.000 0.826 130 G HN 1.204 nan 8.290 nan 0.000 0.600 131 G N -2.766 106.069 108.800 0.059 0.000 2.552 131 G HA2 0.435 4.397 3.960 0.002 0.000 0.324 131 G HA3 0.435 4.397 3.960 0.002 0.000 0.324 131 G C -1.256 173.724 174.900 0.133 0.000 1.217 131 G CA -0.805 44.358 45.100 0.104 0.000 0.989 131 G HN 0.282 nan 8.290 nan 0.000 0.490 132 Y N 1.724 122.041 120.300 0.028 0.000 2.601 132 Y HA 0.287 4.837 4.550 0.001 0.000 0.350 132 Y C 1.521 177.444 175.900 0.038 0.000 1.230 132 Y CA 0.336 58.460 58.100 0.039 0.000 1.733 132 Y CB -0.393 38.090 38.460 0.039 0.000 1.497 132 Y HN 0.571 nan 8.280 nan 0.000 0.472 133 G N 2.284 111.075 108.800 -0.016 0.000 2.661 133 G HA2 0.254 4.215 3.960 0.002 0.000 0.272 133 G HA3 0.254 4.215 3.960 0.002 0.000 0.272 133 G C 0.780 175.696 174.900 0.027 0.000 1.296 133 G CA -0.234 44.865 45.100 -0.002 0.000 0.998 133 G HN 0.807 nan 8.290 nan 0.000 0.553 134 G N -1.344 107.482 108.800 0.044 0.000 2.479 134 G HA2 0.324 4.285 3.960 0.002 0.000 0.275 134 G HA3 0.324 4.285 3.960 0.002 0.000 0.275 134 G C -0.072 174.881 174.900 0.088 0.000 1.421 134 G CA -0.587 44.553 45.100 0.066 0.000 1.059 134 G HN 0.705 nan 8.290 nan 0.000 0.535 135 N N 0.642 119.387 118.700 0.076 0.000 2.361 135 N HA 0.422 5.164 4.740 0.002 0.000 0.302 135 N C -2.412 173.117 175.510 0.031 0.000 1.074 135 N CA -1.034 52.045 53.050 0.049 0.000 0.850 135 N CB 1.946 40.438 38.487 0.007 0.000 1.228 135 N HN 0.361 nan 8.380 nan 0.000 0.491 136 P HA 0.073 nan 4.420 nan 0.000 0.267 136 P C 0.043 177.281 177.300 -0.104 0.000 1.200 136 P CA -0.171 62.841 63.100 -0.147 0.000 0.772 136 P CB 1.032 32.309 31.700 -0.705 0.000 0.855 137 G N 2.122 110.892 108.800 -0.050 0.000 3.226 137 G HA2 0.171 4.132 3.960 0.002 0.000 0.190 137 G HA3 0.171 4.132 3.960 0.002 0.000 0.190 137 G C -0.506 174.358 174.900 -0.059 0.000 1.988 137 G CA -0.237 44.837 45.100 -0.043 0.000 0.859 137 G HN 0.630 nan 8.290 nan 0.000 0.631 138 Q N 0.469 120.245 119.800 -0.040 0.000 2.330 138 Q HA 0.389 4.731 4.340 0.002 0.000 0.269 138 Q C -1.597 174.381 176.000 -0.037 0.000 1.022 138 Q CA -0.677 55.099 55.803 -0.044 0.000 0.796 138 Q CB 2.412 31.130 28.738 -0.034 0.000 1.271 138 Q HN 0.496 nan 8.270 nan 0.000 0.450 139 D N 2.130 122.502 120.400 -0.046 0.000 4.621 139 D HA -0.140 4.501 4.640 0.002 0.000 0.241 139 D C -0.897 175.389 176.300 -0.023 0.000 1.065 139 D CA 0.634 54.611 54.000 -0.039 0.000 1.247 139 D CB -0.416 40.365 40.800 -0.033 0.000 0.793 139 D HN 0.803 nan 8.370 nan 0.000 0.391 140 N N 1.708 120.398 118.700 -0.017 0.000 2.197 140 N HA 0.115 4.856 4.740 0.002 0.000 0.228 140 N C -0.048 175.455 175.510 -0.012 0.000 1.212 140 N CA -0.425 52.639 53.050 0.023 0.000 0.883 140 N CB 0.513 39.083 38.487 0.138 0.000 1.107 140 N HN 0.244 nan 8.380 nan 0.000 0.519 141 R N 0.806 121.276 120.500 -0.051 0.000 2.638 141 R HA 0.195 4.536 4.340 0.002 0.000 0.268 141 R C 0.026 176.271 176.300 -0.092 0.000 1.006 141 R CA 0.233 56.276 56.100 -0.095 0.000 1.088 141 R CB 0.322 30.549 30.300 -0.121 0.000 0.950 141 R HN -0.019 nan 8.270 nan 0.000 0.419 142 V N -1.134 118.707 119.914 -0.123 0.000 3.078 142 V HA 0.322 4.443 4.120 0.002 0.000 0.311 142 V C -0.388 175.645 176.094 -0.102 0.000 1.138 142 V CA -1.212 61.023 62.300 -0.109 0.000 1.007 142 V CB 2.114 33.855 31.823 -0.137 0.000 1.045 142 V HN 0.826 nan 8.190 nan 0.000 0.432 143 N N 1.053 119.713 118.700 -0.068 0.000 2.431 143 N HA 0.474 5.215 4.740 0.002 0.000 0.265 143 N C -0.844 174.632 175.510 -0.057 0.000 1.184 143 N CA -0.159 52.866 53.050 -0.041 0.000 0.943 143 N CB 0.768 39.242 38.487 -0.023 0.000 1.080 143 N HN 0.645 nan 8.380 nan 0.000 0.477 144 V N 1.554 121.441 119.914 -0.045 0.000 2.823 144 V HA 0.772 4.893 4.120 0.002 0.000 0.312 144 V C 0.461 176.542 176.094 -0.023 0.000 1.072 144 V CA -0.796 61.482 62.300 -0.036 0.000 0.937 144 V CB 1.959 33.763 31.823 -0.032 0.000 1.013 144 V HN 0.739 nan 8.190 nan 0.000 0.430 145 G N 4.030 112.820 108.800 -0.016 0.000 2.719 145 G HA2 0.777 4.738 3.960 0.002 0.000 0.298 145 G HA3 0.777 4.738 3.960 0.002 0.000 0.298 145 G C -1.112 173.765 174.900 -0.038 0.000 1.411 145 G CA -0.529 44.543 45.100 -0.047 0.000 0.991 145 G HN 0.729 nan 8.290 nan 0.000 0.509 146 M N 0.701 120.244 119.600 -0.095 0.000 3.213 146 M HA 0.600 5.081 4.480 0.002 0.000 0.278 146 M C -2.239 173.946 176.300 -0.193 0.000 1.332 146 M CA -0.863 54.380 55.300 -0.096 0.000 0.810 146 M CB 1.970 34.538 32.600 -0.052 0.000 1.676 146 M HN 0.525 nan 8.290 nan 0.000 0.463 147 D N 0.766 121.074 120.400 -0.153 0.000 2.256 147 D HA 0.433 5.074 4.640 0.002 0.000 0.246 147 D C -1.113 175.125 176.300 -0.103 0.000 1.042 147 D CA -0.207 53.698 54.000 -0.157 0.000 0.841 147 D CB 1.313 42.092 40.800 -0.035 0.000 1.223 147 D HN 0.670 nan 8.370 nan 0.000 0.470 148 Y N 0.289 120.475 120.300 -0.190 0.000 2.220 148 Y HA 0.048 4.599 4.550 0.002 0.000 0.347 148 Y C 1.547 177.408 175.900 -0.064 0.000 1.311 148 Y CA -0.968 56.975 58.100 -0.262 0.000 1.593 148 Y CB 0.909 38.917 38.460 -0.754 0.000 1.419 148 Y HN 0.283 nan 8.280 nan 0.000 0.614 149 K N 1.980 122.461 120.400 0.136 0.000 2.368 149 K HA 0.008 4.330 4.320 0.002 0.000 0.282 149 K C -0.505 176.249 176.600 0.258 0.000 1.035 149 K CA -0.400 55.960 56.287 0.122 0.000 0.973 149 K CB 0.650 33.178 32.500 0.047 0.000 0.957 149 K HN 0.623 nan 8.250 nan 0.000 0.474 150 Q N 2.625 122.552 119.800 0.212 0.000 2.314 150 Q HA 0.121 4.462 4.340 0.002 0.000 0.258 150 Q C -1.206 174.900 176.000 0.177 0.000 0.954 150 Q CA 0.148 56.077 55.803 0.211 0.000 0.890 150 Q CB 0.995 29.827 28.738 0.157 0.000 1.210 150 Q HN 0.719 nan 8.270 nan 0.000 0.410 151 T N 4.283 118.935 114.554 0.163 0.000 3.105 151 T HA 0.311 4.662 4.350 0.002 0.000 0.321 151 T C -1.375 173.408 174.700 0.138 0.000 1.135 151 T CA -0.714 61.476 62.100 0.149 0.000 1.053 151 T CB 1.498 70.463 68.868 0.161 0.000 1.133 151 T HN 0.586 nan 8.240 nan 0.000 0.463 152 Q N 2.304 122.186 119.800 0.138 0.000 2.321 152 Q HA 0.760 5.101 4.340 0.002 0.000 0.270 152 Q C -1.274 174.806 176.000 0.134 0.000 1.032 152 Q CA -1.063 54.839 55.803 0.165 0.000 0.784 152 Q CB 2.735 31.512 28.738 0.064 0.000 1.264 152 Q HN 0.635 nan 8.270 nan 0.000 0.448 153 L N -0.366 120.995 121.223 0.230 0.000 2.622 153 L HA 0.932 5.274 4.340 0.002 0.000 0.258 153 L C -1.791 175.265 176.870 0.310 0.000 0.996 153 L CA -0.672 54.288 54.840 0.199 0.000 0.858 153 L CB 2.265 44.448 42.059 0.206 0.000 1.449 153 L HN 0.761 nan 8.230 nan 0.000 0.411 154 C N 4.149 123.597 119.300 0.247 0.000 3.046 154 C HA 0.870 5.332 4.460 0.002 0.000 0.388 154 C C -1.341 173.811 174.990 0.270 0.000 1.041 154 C CA -0.418 58.797 59.018 0.328 0.000 1.241 154 C CB 1.090 29.081 27.740 0.420 0.000 1.638 154 C HN 1.216 nan 8.230 nan 0.000 0.539 155 M N 5.344 125.116 119.600 0.287 0.000 2.322 155 M HA 0.722 5.204 4.480 0.002 0.000 0.286 155 M C -1.580 174.861 176.300 0.236 0.000 1.111 155 M CA -0.537 54.931 55.300 0.280 0.000 0.941 155 M CB 1.468 34.200 32.600 0.219 0.000 1.671 155 M HN 0.319 nan 8.290 nan 0.000 0.470 156 V N 1.846 121.928 119.914 0.280 0.000 2.713 156 V HA 1.037 5.158 4.120 0.002 0.000 0.307 156 V C 0.500 176.438 176.094 -0.260 0.000 1.052 156 V CA 0.030 62.429 62.300 0.165 0.000 0.967 156 V CB 1.645 33.690 31.823 0.370 0.000 1.019 156 V HN 1.110 nan 8.190 nan 0.000 0.459 157 G N 0.260 108.816 108.800 -0.407 0.000 2.506 157 G HA2 0.389 4.350 3.960 0.002 0.000 0.292 157 G HA3 0.389 4.350 3.960 0.002 0.000 0.292 157 G C -0.259 174.464 174.900 -0.295 0.000 1.425 157 G CA 0.110 44.714 45.100 -0.828 0.000 0.788 157 G HN 1.082 nan 8.290 nan 0.000 0.490 158 C N -0.729 118.492 119.300 -0.132 0.000 2.688 158 C HA 0.793 5.255 4.460 0.002 0.000 0.297 158 C C 0.903 175.952 174.990 0.098 0.000 1.308 158 C CA -0.008 59.082 59.018 0.121 0.000 1.726 158 C CB -1.462 26.457 27.740 0.300 0.000 1.982 158 C HN 1.514 nan 8.230 nan 0.000 0.604 159 A N 1.249 124.065 122.820 -0.006 0.000 2.572 159 A HA 0.876 5.197 4.320 0.002 0.000 0.295 159 A C -2.950 174.561 177.584 -0.122 0.000 1.072 159 A CA -1.182 50.855 52.037 -0.000 0.000 0.691 159 A CB 1.005 20.045 19.000 0.067 0.000 1.291 159 A HN 0.178 nan 8.150 nan 0.000 0.404 160 P HA 0.219 nan 4.420 nan 0.000 0.269 160 P C -2.636 174.569 177.300 -0.158 0.000 1.209 160 P CA -0.596 62.344 63.100 -0.267 0.000 0.776 160 P CB -0.043 31.405 31.700 -0.420 0.000 0.876 161 P HA 0.208 nan 4.420 nan 0.000 0.272 161 P C -0.520 176.688 177.300 -0.153 0.000 1.230 161 P CA 0.051 63.069 63.100 -0.137 0.000 0.788 161 P CB 0.857 32.478 31.700 -0.131 0.000 0.949 162 L N 0.904 122.026 121.223 -0.169 0.000 2.334 162 L HA 0.694 5.035 4.340 0.002 0.000 0.276 162 L C 0.936 177.681 176.870 -0.209 0.000 1.014 162 L CA -0.435 54.310 54.840 -0.158 0.000 0.815 162 L CB 1.919 43.908 42.059 -0.117 0.000 1.268 162 L HN 0.521 nan 8.230 nan 0.000 0.428 163 G N 1.442 110.139 108.800 -0.172 0.000 2.714 163 G HA2 0.740 4.701 3.960 0.002 0.000 0.292 163 G HA3 0.740 4.701 3.960 0.002 0.000 0.292 163 G C -1.585 173.267 174.900 -0.080 0.000 1.308 163 G CA -0.373 44.633 45.100 -0.156 0.000 0.964 163 G HN 0.644 nan 8.290 nan 0.000 0.484 164 E N -0.624 119.564 120.200 -0.020 0.000 2.340 164 E HA 0.642 4.994 4.350 0.002 0.000 0.273 164 E C -1.293 175.326 176.600 0.032 0.000 0.891 164 E CA -1.046 55.312 56.400 -0.070 0.000 0.757 164 E CB 2.425 32.056 29.700 -0.114 0.000 1.231 164 E HN 0.782 nan 8.360 nan 0.000 0.439 165 H N 0.104 119.053 119.070 -0.201 0.000 2.981 165 H HA 0.330 4.888 4.556 0.002 0.000 0.327 165 H C -1.833 173.318 175.328 -0.294 0.000 1.342 165 H CA -1.216 54.745 56.048 -0.145 0.000 1.123 165 H CB 0.484 30.216 29.762 -0.050 0.000 1.851 165 H HN 0.626 nan 8.280 nan 0.000 0.531 166 W N 0.851 122.150 121.300 -0.001 0.000 2.391 166 W HA 0.613 5.275 4.660 0.002 0.000 0.311 166 W C 0.439 176.951 176.519 -0.011 0.000 1.087 166 W CA -0.147 57.155 57.345 -0.071 0.000 1.209 166 W CB 1.998 31.427 29.460 -0.051 0.000 1.273 166 W HN 0.876 nan 8.180 nan 0.000 0.482 167 G N 1.885 110.758 108.800 0.122 0.000 2.685 167 G HA2 0.419 4.380 3.960 0.002 0.000 0.298 167 G HA3 0.419 4.380 3.960 0.002 0.000 0.298 167 G C -1.416 173.545 174.900 0.102 0.000 1.277 167 G CA -1.177 43.995 45.100 0.120 0.000 0.986 167 G HN 0.289 nan 8.290 nan 0.000 0.487 168 K N 0.313 120.759 120.400 0.076 0.000 2.412 168 K HA 0.331 4.652 4.320 0.002 0.000 0.284 168 K C 0.919 177.548 176.600 0.049 0.000 1.046 168 K CA 0.002 56.325 56.287 0.060 0.000 0.999 168 K CB 0.117 32.644 32.500 0.045 0.000 0.941 168 K HN 0.510 nan 8.250 nan 0.000 0.474 169 G N 2.136 110.968 108.800 0.053 0.000 2.516 169 G HA2 0.143 4.104 3.960 0.002 0.000 0.276 169 G HA3 0.143 4.104 3.960 0.002 0.000 0.276 169 G C -0.835 174.081 174.900 0.027 0.000 1.390 169 G CA -0.442 44.682 45.100 0.040 0.000 1.050 169 G HN 0.580 nan 8.290 nan 0.000 0.519 170 T N 0.976 115.543 114.554 0.021 0.000 2.791 170 T HA 0.365 4.716 4.350 0.002 0.000 0.288 170 T C 0.084 174.793 174.700 0.016 0.000 0.999 170 T CA -0.392 61.717 62.100 0.016 0.000 0.952 170 T CB 1.208 70.082 68.868 0.010 0.000 0.938 170 T HN 0.630 nan 8.240 nan 0.000 0.444 171 Q N 2.271 122.080 119.800 0.014 0.000 2.337 171 Q HA 0.405 4.746 4.340 0.002 0.000 0.270 171 Q C 0.380 176.386 176.000 0.010 0.000 1.002 171 Q CA -0.562 55.249 55.803 0.013 0.000 0.888 171 Q CB 0.397 29.142 28.738 0.011 0.000 1.222 171 Q HN 0.639 nan 8.270 nan 0.000 0.400 172 S N 2.117 117.823 115.700 0.010 0.000 2.598 172 S HA 0.161 4.632 4.470 0.002 0.000 0.267 172 S C 0.295 174.898 174.600 0.006 0.000 1.189 172 S CA -0.711 57.493 58.200 0.008 0.000 1.010 172 S CB 0.534 63.739 63.200 0.008 0.000 1.084 172 S HN 0.616 nan 8.310 nan 0.000 0.541 173 S N 1.450 117.153 115.700 0.005 0.000 3.864 173 S HA 0.191 4.662 4.470 0.002 0.000 0.202 173 S C 0.122 174.724 174.600 0.004 0.000 1.402 173 S CA -0.338 57.864 58.200 0.004 0.000 1.072 173 S CB -1.660 61.542 63.200 0.003 0.000 1.383 173 S HN 0.583 nan 8.310 nan 0.000 0.458 174 N N 0.241 118.944 118.700 0.005 0.000 2.518 174 N HA 0.257 4.999 4.740 0.002 0.000 0.284 174 N C -0.509 175.003 175.510 0.003 0.000 1.230 174 N CA -0.765 52.287 53.050 0.004 0.000 0.941 174 N CB 0.821 39.312 38.487 0.005 0.000 1.219 174 N HN 0.074 nan 8.380 nan 0.000 0.560 175 T N 0.936 115.492 114.554 0.003 0.000 2.777 175 T HA -0.137 4.215 4.350 0.002 0.000 0.273 175 T C 0.398 175.099 174.700 0.002 0.000 1.016 175 T CA 0.554 62.655 62.100 0.002 0.000 1.156 175 T CB 0.019 68.888 68.868 0.002 0.000 1.019 175 T HN 0.401 nan 8.240 nan 0.000 0.503 176 S N 2.932 118.633 115.700 0.002 0.000 2.737 176 S HA 0.037 4.508 4.470 0.002 0.000 0.315 176 S C 0.896 175.497 174.600 0.002 0.000 1.236 176 S CA -0.818 57.383 58.200 0.002 0.000 1.093 176 S CB -0.393 62.808 63.200 0.001 0.000 0.832 176 S HN 0.729 nan 8.310 nan 0.000 0.507 177 V N 5.767 125.683 119.914 0.002 0.000 2.399 177 V HA 0.175 4.296 4.120 0.002 0.000 0.245 177 V C 0.566 176.660 176.094 0.001 0.000 1.089 177 V CA -0.619 61.682 62.300 0.002 0.000 1.196 177 V CB -0.634 31.191 31.823 0.004 0.000 1.221 177 V HN 0.755 nan 8.190 nan 0.000 0.482 178 Q N 3.670 123.470 119.800 -0.000 0.000 2.310 178 Q HA -0.003 4.338 4.340 0.002 0.000 0.315 178 Q C 0.421 176.420 176.000 -0.002 0.000 1.081 178 Q CA 0.694 56.496 55.803 -0.002 0.000 0.981 178 Q CB -0.084 28.652 28.738 -0.003 0.000 1.184 178 Q HN 0.913 nan 8.270 nan 0.000 0.389 179 N N 0.496 119.194 118.700 -0.002 0.000 2.294 179 N HA 0.042 4.783 4.740 0.002 0.000 0.263 179 N C 0.916 176.424 175.510 -0.004 0.000 1.281 179 N CA 0.741 53.789 53.050 -0.002 0.000 0.846 179 N CB 0.178 38.663 38.487 -0.003 0.000 1.061 179 N HN 0.821 nan 8.380 nan 0.000 0.478 180 G N 1.547 110.345 108.800 -0.003 0.000 2.195 180 G HA2 -0.222 3.739 3.960 0.002 0.000 0.224 180 G HA3 -0.222 3.739 3.960 0.002 0.000 0.224 180 G C -0.235 174.662 174.900 -0.005 0.000 0.990 180 G CA -0.451 44.646 45.100 -0.005 0.000 0.639 180 G HN 0.574 nan 8.290 nan 0.000 0.514 181 D N 0.256 120.654 120.400 -0.003 0.000 2.382 181 D HA 0.298 4.940 4.640 0.002 0.000 0.240 181 D C 1.125 177.424 176.300 -0.001 0.000 1.146 181 D CA 0.208 54.207 54.000 -0.003 0.000 0.897 181 D CB 1.223 42.023 40.800 -0.001 0.000 1.197 181 D HN 0.346 nan 8.370 nan 0.000 0.432 182 C N 4.423 123.722 119.300 -0.003 0.000 2.638 182 C HA 0.139 4.600 4.460 0.002 0.000 0.410 182 C C -1.542 173.449 174.990 0.002 0.000 1.404 182 C CA -1.304 57.712 59.018 -0.003 0.000 1.651 182 C CB -0.814 26.921 27.740 -0.008 0.000 2.495 182 C HN 0.423 nan 8.230 nan 0.000 0.606 183 P HA 0.248 nan 4.420 nan 0.000 0.270 183 P C -2.721 174.590 177.300 0.017 0.000 1.223 183 P CA -0.803 62.306 63.100 0.015 0.000 0.785 183 P CB 0.029 31.742 31.700 0.022 0.000 0.923 184 P HA 0.211 nan 4.420 nan 0.000 0.293 184 P C -0.432 176.908 177.300 0.067 0.000 1.300 184 P CA -0.296 62.826 63.100 0.037 0.000 0.792 184 P CB 0.754 32.474 31.700 0.035 0.000 0.925 185 L N 3.068 124.342 121.223 0.084 0.000 2.349 185 L HA 0.354 4.695 4.340 0.002 0.000 0.275 185 L C 0.833 177.888 176.870 0.308 0.000 1.115 185 L CA 0.362 55.317 54.840 0.193 0.000 0.820 185 L CB 0.296 42.403 42.059 0.081 0.000 1.135 185 L HN 0.592 nan 8.230 nan 0.000 0.445 186 E N 2.760 123.162 120.200 0.336 0.000 2.292 186 E HA 0.272 4.624 4.350 0.002 0.000 0.272 186 E C -1.501 175.009 176.600 -0.150 0.000 0.881 186 E CA -0.891 55.588 56.400 0.131 0.000 0.754 186 E CB 2.322 32.036 29.700 0.023 0.000 1.201 186 E HN 0.353 nan 8.360 nan 0.000 0.425 187 L N 5.782 126.719 121.223 -0.477 0.000 2.363 187 L HA 0.331 4.672 4.340 0.002 0.000 0.286 187 L C -1.240 175.295 176.870 -0.559 0.000 1.106 187 L CA -0.054 54.230 54.840 -0.926 0.000 0.859 187 L CB 0.171 41.681 42.059 -0.915 0.000 1.223 187 L HN 0.497 nan 8.230 nan 0.000 0.446 188 I N 4.229 124.420 120.570 -0.632 0.000 2.365 188 I HA 0.316 4.488 4.170 0.002 0.000 0.291 188 I C 0.565 176.412 176.117 -0.450 0.000 1.004 188 I CA 0.287 61.279 61.300 -0.512 0.000 1.311 188 I CB 1.492 39.134 38.000 -0.596 0.000 1.401 188 I HN 0.522 nan 8.210 nan 0.000 0.491 189 T N 5.426 119.832 114.554 -0.247 0.000 2.829 189 T HA 0.724 5.075 4.350 0.002 0.000 0.282 189 T C -0.153 174.497 174.700 -0.082 0.000 0.990 189 T CA -0.580 61.426 62.100 -0.157 0.000 1.028 189 T CB 1.049 69.845 68.868 -0.121 0.000 0.951 189 T HN 0.751 nan 8.240 nan 0.000 0.460 190 S N 0.946 116.617 115.700 -0.049 0.000 2.656 190 S HA 0.625 5.096 4.470 0.002 0.000 0.273 190 S C -1.109 173.455 174.600 -0.059 0.000 1.168 190 S CA -0.894 57.292 58.200 -0.023 0.000 0.817 190 S CB 0.865 64.084 63.200 0.032 0.000 1.146 190 S HN 0.374 nan 8.310 nan 0.000 0.475 191 V N 2.094 121.970 119.914 -0.063 0.000 2.368 191 V HA 0.325 4.446 4.120 0.002 0.000 0.266 191 V C 0.040 176.045 176.094 -0.149 0.000 1.045 191 V CA -0.526 61.714 62.300 -0.101 0.000 0.899 191 V CB 0.269 32.035 31.823 -0.095 0.000 1.006 191 V HN 0.729 nan 8.190 nan 0.000 0.470 192 I N 5.962 126.412 120.570 -0.201 0.000 2.671 192 I HA 0.022 4.193 4.170 0.002 0.000 0.285 192 I C 0.721 176.700 176.117 -0.231 0.000 1.148 192 I CA 0.595 61.703 61.300 -0.320 0.000 1.386 192 I CB -0.011 37.681 38.000 -0.514 0.000 1.406 192 I HN 0.669 nan 8.210 nan 0.000 0.540 193 Q N 4.223 123.873 119.800 -0.249 0.000 2.204 193 Q HA 0.247 4.588 4.340 0.002 0.000 0.254 193 Q C -0.500 175.406 176.000 -0.156 0.000 0.981 193 Q CA -0.948 54.699 55.803 -0.261 0.000 0.897 193 Q CB 1.489 30.004 28.738 -0.371 0.000 1.273 193 Q HN 0.498 nan 8.270 nan 0.000 0.464 194 D N -0.615 119.709 120.400 -0.128 0.000 2.455 194 D HA 0.200 4.841 4.640 0.002 0.000 0.241 194 D C 0.699 176.983 176.300 -0.027 0.000 1.138 194 D CA 1.838 55.814 54.000 -0.040 0.000 0.877 194 D CB 0.244 41.029 40.800 -0.026 0.000 1.187 194 D HN 0.672 nan 8.370 nan 0.000 0.451 195 G N 2.632 111.464 108.800 0.055 0.000 2.157 195 G HA2 -0.238 3.723 3.960 0.002 0.000 0.248 195 G HA3 -0.238 3.723 3.960 0.002 0.000 0.248 195 G C 0.075 175.033 174.900 0.097 0.000 0.979 195 G CA 0.107 45.250 45.100 0.070 0.000 0.650 195 G HN 0.621 nan 8.290 nan 0.000 0.529 196 D N 0.200 120.674 120.400 0.123 0.000 2.354 196 D HA 0.600 5.241 4.640 0.002 0.000 0.247 196 D C 1.061 177.550 176.300 0.315 0.000 1.138 196 D CA -0.064 54.016 54.000 0.134 0.000 0.958 196 D CB 0.379 41.165 40.800 -0.023 0.000 1.144 196 D HN 0.005 nan 8.370 nan 0.000 0.458 197 M N 0.901 120.667 119.600 0.275 0.000 2.318 197 M HA 0.295 4.776 4.480 0.002 0.000 0.347 197 M C -0.369 176.158 176.300 0.378 0.000 1.175 197 M CA -0.816 54.662 55.300 0.296 0.000 1.075 197 M CB 1.362 34.092 32.600 0.217 0.000 1.614 197 M HN 0.018 nan 8.290 nan 0.000 0.456 198 V N 1.924 121.984 119.914 0.245 0.000 2.785 198 V HA 0.078 4.199 4.120 0.002 0.000 0.300 198 V C 0.105 176.315 176.094 0.192 0.000 1.062 198 V CA -0.713 61.688 62.300 0.167 0.000 1.029 198 V CB 1.652 33.450 31.823 -0.042 0.000 1.024 198 V HN 0.907 nan 8.190 nan 0.000 0.477 199 D N 1.913 122.453 120.400 0.233 0.000 2.493 199 D HA 0.015 4.656 4.640 0.002 0.000 0.240 199 D C 0.920 177.254 176.300 0.057 0.000 1.142 199 D CA 0.728 54.834 54.000 0.177 0.000 0.872 199 D CB 1.195 42.105 40.800 0.183 0.000 1.173 199 D HN 0.733 nan 8.370 nan 0.000 0.467 200 T N 0.183 114.687 114.554 -0.083 0.000 3.044 200 T HA 0.434 4.786 4.350 0.002 0.000 0.260 200 T C 1.332 175.863 174.700 -0.282 0.000 1.019 200 T CA 0.229 62.111 62.100 -0.362 0.000 0.921 200 T CB 0.328 68.424 68.868 -1.286 0.000 1.053 200 T HN 0.831 nan 8.240 nan 0.000 0.533 201 G N 0.853 109.550 108.800 -0.172 0.000 2.485 201 G HA2 -0.079 3.882 3.960 0.002 0.000 0.181 201 G HA3 -0.079 3.882 3.960 0.002 0.000 0.181 201 G C 0.205 174.858 174.900 -0.411 0.000 0.999 201 G CA -0.292 44.629 45.100 -0.300 0.000 0.721 201 G HN 0.440 nan 8.290 nan 0.000 0.486 202 F N 2.251 122.204 119.950 0.005 0.000 2.639 202 F HA 0.522 5.050 4.527 0.001 0.000 0.300 202 F C 1.563 177.518 175.800 0.258 0.000 1.109 202 F CA 0.582 58.656 58.000 0.122 0.000 1.335 202 F CB 0.792 39.837 39.000 0.075 0.000 1.014 202 F HN 0.716 nan 8.300 nan 0.000 0.537 203 G N 0.919 109.878 108.800 0.264 0.000 2.795 203 G HA2 0.090 4.051 3.960 0.002 0.000 0.664 203 G HA3 0.090 4.051 3.960 0.002 0.000 0.664 203 G C -0.521 174.522 174.900 0.239 0.000 1.381 203 G CA -0.715 44.508 45.100 0.204 0.000 0.853 203 G HN 0.629 nan 8.290 nan 0.000 0.545 204 A N 0.769 123.706 122.820 0.195 0.000 2.478 204 A HA 0.788 5.109 4.320 0.002 0.000 0.327 204 A C 0.513 178.207 177.584 0.183 0.000 1.431 204 A CA 0.871 53.033 52.037 0.208 0.000 1.014 204 A CB -0.582 18.570 19.000 0.253 0.000 1.143 204 A HN 1.905 nan 8.150 nan 0.000 0.532 205 M N 0.241 119.784 119.600 -0.096 0.000 2.721 205 M HA 0.423 4.904 4.480 0.002 0.000 0.271 205 M C -0.769 175.275 176.300 -0.427 0.000 1.259 205 M CA -0.718 54.474 55.300 -0.179 0.000 0.835 205 M CB 1.763 34.185 32.600 -0.297 0.000 1.689 205 M HN 0.379 nan 8.290 nan 0.000 0.470 206 N N 0.181 118.766 118.700 -0.192 0.000 2.918 206 N HA 0.343 5.084 4.740 0.002 0.000 0.247 206 N C -0.391 175.036 175.510 -0.139 0.000 1.117 206 N CA -0.418 52.552 53.050 -0.135 0.000 1.005 206 N CB 0.203 38.706 38.487 0.027 0.000 1.297 206 N HN 0.583 nan 8.380 nan 0.000 0.513 207 F N 1.936 121.921 119.950 0.058 0.000 2.154 207 F HA -0.230 4.299 4.527 0.003 0.000 0.301 207 F C 2.536 178.353 175.800 0.028 0.000 1.087 207 F CA 1.092 59.114 58.000 0.036 0.000 1.274 207 F CB -0.299 38.706 39.000 0.009 0.000 1.009 207 F HN 0.539 nan 8.300 nan 0.000 0.485 208 A N -0.034 122.899 122.820 0.188 0.000 1.917 208 A HA -0.220 4.101 4.320 0.002 0.000 0.219 208 A C 1.939 179.571 177.584 0.080 0.000 1.182 208 A CA 2.322 54.427 52.037 0.114 0.000 0.633 208 A CB -0.669 18.379 19.000 0.080 0.000 0.819 208 A HN 0.344 nan 8.150 nan 0.000 0.448 209 D N -0.951 119.489 120.400 0.066 0.000 2.301 209 D HA 0.042 4.684 4.640 0.002 0.000 0.206 209 D C 1.445 177.775 176.300 0.050 0.000 0.979 209 D CA 0.399 54.429 54.000 0.051 0.000 0.874 209 D CB 0.075 40.903 40.800 0.047 0.000 0.968 209 D HN 0.256 nan 8.370 nan 0.000 0.510 210 L N 0.417 121.672 121.223 0.053 0.000 2.529 210 L HA 0.149 4.490 4.340 0.002 0.000 0.223 210 L C 0.349 177.262 176.870 0.071 0.000 1.113 210 L CA 0.897 55.767 54.840 0.049 0.000 0.861 210 L CB -0.225 41.849 42.059 0.024 0.000 1.012 210 L HN -0.074 nan 8.230 nan 0.000 0.461 211 Q N -0.586 119.274 119.800 0.100 0.000 2.674 211 Q HA 0.206 4.547 4.340 0.002 0.000 0.249 211 Q C 0.827 176.868 176.000 0.067 0.000 1.011 211 Q CA -0.176 55.685 55.803 0.097 0.000 0.734 211 Q CB 1.066 29.897 28.738 0.155 0.000 1.201 211 Q HN 0.079 nan 8.270 nan 0.000 0.498 212 T N 0.960 115.539 114.554 0.043 0.000 2.699 212 T HA -0.204 4.148 4.350 0.002 0.000 0.268 212 T C 1.486 176.197 174.700 0.019 0.000 1.036 212 T CA 2.168 64.285 62.100 0.028 0.000 1.147 212 T CB -0.158 68.720 68.868 0.017 0.000 0.862 212 T HN 0.662 nan 8.240 nan 0.000 0.446 213 N N 1.393 120.099 118.700 0.010 0.000 2.609 213 N HA -0.087 4.655 4.740 0.002 0.000 0.190 213 N C 0.507 176.018 175.510 0.002 0.000 1.157 213 N CA 0.530 53.577 53.050 -0.005 0.000 0.918 213 N CB -0.623 37.849 38.487 -0.025 0.000 0.978 213 N HN 0.372 nan 8.380 nan 0.000 0.448 214 K N -1.807 118.608 120.400 0.025 0.000 3.104 214 K HA -0.178 4.143 4.320 0.002 0.000 0.285 214 K C -0.482 176.164 176.600 0.077 0.000 1.136 214 K CA 1.079 57.397 56.287 0.053 0.000 0.842 214 K CB -1.936 30.596 32.500 0.054 0.000 1.217 214 K HN 0.361 nan 8.250 nan 0.000 0.467 215 S N -0.479 115.204 115.700 -0.027 0.000 3.031 215 S HA 0.101 4.572 4.470 0.002 0.000 0.253 215 S C -0.027 174.429 174.600 -0.241 0.000 0.996 215 S CA -0.511 57.564 58.200 -0.208 0.000 1.098 215 S CB 0.672 63.703 63.200 -0.281 0.000 1.042 215 S HN 0.174 nan 8.310 nan 0.000 0.593 216 D N 1.908 122.223 120.400 -0.140 0.000 2.354 216 D HA 0.145 4.786 4.640 0.002 0.000 0.209 216 D C 0.624 176.748 176.300 -0.293 0.000 1.015 216 D CA 0.627 54.537 54.000 -0.151 0.000 0.867 216 D CB 0.896 41.661 40.800 -0.058 0.000 0.933 216 D HN 0.435 nan 8.370 nan 0.000 0.520 217 V N -4.061 115.641 119.914 -0.353 0.000 3.178 217 V HA 0.555 4.676 4.120 0.002 0.000 0.302 217 V C -2.918 173.001 176.094 -0.291 0.000 1.262 217 V CA -2.540 59.388 62.300 -0.621 0.000 1.030 217 V CB 1.779 32.915 31.823 -1.145 0.000 1.074 217 V HN -0.347 nan 8.190 nan 0.000 0.438 218 P HA 0.010 nan 4.420 nan 0.000 0.269 218 P C 1.001 178.198 177.300 -0.172 0.000 1.185 218 P CA 0.089 63.103 63.100 -0.143 0.000 0.769 218 P CB 0.313 31.958 31.700 -0.091 0.000 0.809 219 L N 2.415 123.463 121.223 -0.292 0.000 2.081 219 L HA -0.189 4.152 4.340 0.002 0.000 0.212 219 L C 1.748 178.598 176.870 -0.034 0.000 1.080 219 L CA 2.260 56.965 54.840 -0.224 0.000 0.754 219 L CB -1.787 40.141 42.059 -0.217 0.000 0.893 219 L HN 0.514 nan 8.230 nan 0.000 0.433 220 D N -0.458 119.940 120.400 -0.004 0.000 2.378 220 D HA -0.173 4.468 4.640 0.002 0.000 0.222 220 D C 1.603 177.974 176.300 0.118 0.000 0.980 220 D CA 0.968 55.061 54.000 0.154 0.000 0.907 220 D CB -0.305 40.666 40.800 0.285 0.000 0.899 220 D HN 0.642 nan 8.370 nan 0.000 0.527 221 I N -3.221 117.359 120.570 0.017 0.000 4.887 221 I HA 0.216 4.388 4.170 0.002 0.000 0.349 221 I C 1.604 177.685 176.117 -0.061 0.000 1.266 221 I CA -0.378 60.917 61.300 -0.009 0.000 1.376 221 I CB 0.021 37.951 38.000 -0.116 0.000 1.556 221 I HN 0.051 nan 8.210 nan 0.000 0.530 222 C N 1.139 120.372 119.300 -0.111 0.000 2.466 222 C HA 0.336 4.797 4.460 0.002 0.000 0.283 222 C C 1.880 176.910 174.990 0.067 0.000 1.472 222 C CA 0.626 59.607 59.018 -0.063 0.000 1.765 222 C CB -1.889 25.828 27.740 -0.037 0.000 1.724 222 C HN 0.665 nan 8.230 nan 0.000 0.560 223 G N -0.037 108.810 108.800 0.078 0.000 3.735 223 G HA2 0.466 4.428 3.960 0.002 0.000 0.283 223 G HA3 0.466 4.428 3.960 0.002 0.000 0.283 223 G C 0.262 175.219 174.900 0.094 0.000 1.007 223 G CA 0.808 45.958 45.100 0.083 0.000 0.821 223 G HN 0.714 nan 8.290 nan 0.000 0.505 224 T N -3.091 111.544 114.554 0.135 0.000 2.587 224 T HA 0.664 5.015 4.350 0.002 0.000 0.282 224 T C -1.036 173.742 174.700 0.129 0.000 1.018 224 T CA -0.636 61.528 62.100 0.106 0.000 1.120 224 T CB 2.013 70.939 68.868 0.096 0.000 1.538 224 T HN 0.067 nan 8.240 nan 0.000 0.480 225 V N -0.007 119.934 119.914 0.044 0.000 2.715 225 V HA 0.575 4.697 4.120 0.002 0.000 0.310 225 V C -0.495 175.623 176.094 0.040 0.000 1.054 225 V CA -0.828 61.443 62.300 -0.049 0.000 0.928 225 V CB 1.671 33.293 31.823 -0.335 0.000 1.007 225 V HN 1.153 nan 8.190 nan 0.000 0.437 226 C N 4.341 123.690 119.300 0.082 0.000 2.281 226 C HA 0.543 5.004 4.460 0.002 0.000 0.323 226 C C 0.321 175.405 174.990 0.156 0.000 1.270 226 C CA -0.985 58.152 59.018 0.197 0.000 1.559 226 C CB 0.024 27.970 27.740 0.344 0.000 2.239 226 C HN 0.856 nan 8.230 nan 0.000 0.488 227 K N 2.126 122.647 120.400 0.201 0.000 2.166 227 K HA 0.554 4.875 4.320 0.002 0.000 0.245 227 K C -1.336 175.483 176.600 0.365 0.000 0.967 227 K CA -0.562 55.846 56.287 0.202 0.000 0.863 227 K CB 1.915 34.426 32.500 0.017 0.000 1.107 227 K HN 0.603 nan 8.250 nan 0.000 0.436 228 Y N 1.657 122.035 120.300 0.131 0.000 2.391 228 Y HA 0.304 4.856 4.550 0.002 0.000 0.341 228 Y C -2.628 173.267 175.900 -0.009 0.000 0.965 228 Y CA -2.629 55.549 58.100 0.131 0.000 1.067 228 Y CB 1.638 40.176 38.460 0.131 0.000 1.199 228 Y HN 0.408 nan 8.280 nan 0.000 0.450 229 P HA -0.068 nan 4.420 nan 0.000 0.261 229 P C -0.586 176.264 177.300 -0.750 0.000 1.173 229 P CA 0.599 63.200 63.100 -0.832 0.000 0.760 229 P CB 0.487 31.335 31.700 -1.420 0.000 0.783 230 D N 2.785 122.911 120.400 -0.457 0.000 2.896 230 D HA 0.042 4.684 4.640 0.002 0.000 0.240 230 D C 0.742 176.912 176.300 -0.218 0.000 1.193 230 D CA -0.208 53.651 54.000 -0.236 0.000 0.983 230 D CB -0.581 40.131 40.800 -0.147 0.000 1.074 230 D HN 0.293 nan 8.370 nan 0.000 0.496 231 Y N 0.482 120.665 120.300 -0.195 0.000 2.040 231 Y HA -0.308 4.243 4.550 0.002 0.000 0.275 231 Y C 2.399 178.228 175.900 -0.118 0.000 1.171 231 Y CA 1.151 59.115 58.100 -0.226 0.000 1.123 231 Y CB -0.337 37.936 38.460 -0.312 0.000 0.963 231 Y HN 0.214 nan 8.280 nan 0.000 0.493 232 L N -0.215 121.080 121.223 0.120 0.000 2.051 232 L HA -0.327 4.014 4.340 0.002 0.000 0.214 232 L C 2.615 179.510 176.870 0.042 0.000 1.076 232 L CA 2.048 56.933 54.840 0.074 0.000 0.758 232 L CB -0.670 41.434 42.059 0.074 0.000 0.890 232 L HN 0.363 nan 8.230 nan 0.000 0.433 233 Q N 0.051 119.859 119.800 0.013 0.000 2.083 233 Q HA -0.175 4.167 4.340 0.002 0.000 0.198 233 Q C 2.295 178.299 176.000 0.006 0.000 0.969 233 Q CA 1.388 57.191 55.803 -0.000 0.000 0.838 233 Q CB -0.056 28.665 28.738 -0.028 0.000 0.900 233 Q HN 0.432 nan 8.270 nan 0.000 0.436 234 M N -0.027 119.567 119.600 -0.011 0.000 2.132 234 M HA -0.060 4.422 4.480 0.002 0.000 0.263 234 M C 2.332 178.663 176.300 0.050 0.000 1.065 234 M CA 1.315 56.618 55.300 0.004 0.000 1.122 234 M CB -0.333 32.243 32.600 -0.041 0.000 1.365 234 M HN 0.406 nan 8.290 nan 0.000 0.411 235 A N 0.480 123.336 122.820 0.060 0.000 2.024 235 A HA -0.021 4.300 4.320 0.002 0.000 0.220 235 A C 2.178 179.810 177.584 0.079 0.000 1.164 235 A CA 1.848 53.938 52.037 0.088 0.000 0.643 235 A CB -0.690 18.365 19.000 0.092 0.000 0.806 235 A HN 0.520 nan 8.150 nan 0.000 0.451 236 A N -0.750 122.107 122.820 0.062 0.000 2.275 236 A HA 0.244 4.565 4.320 0.002 0.000 0.212 236 A C 0.384 178.004 177.584 0.061 0.000 1.201 236 A CA 0.139 52.209 52.037 0.056 0.000 0.843 236 A CB -0.490 18.535 19.000 0.042 0.000 0.873 236 A HN 0.425 nan 8.150 nan 0.000 0.492 237 D N 1.431 121.877 120.400 0.077 0.000 2.520 237 D HA 0.059 4.700 4.640 0.002 0.000 0.243 237 D C -0.666 175.697 176.300 0.105 0.000 1.160 237 D CA -0.686 53.373 54.000 0.098 0.000 0.877 237 D CB 1.041 41.918 40.800 0.129 0.000 1.150 237 D HN 0.182 nan 8.370 nan 0.000 0.494 238 P HA -0.222 nan 4.420 nan 0.000 0.216 238 P C 0.650 177.909 177.300 -0.069 0.000 1.150 238 P CA 1.602 64.665 63.100 -0.062 0.000 0.843 238 P CB 0.063 31.641 31.700 -0.203 0.000 0.787 239 Y N -0.958 119.451 120.300 0.181 0.000 2.441 239 Y HA 0.359 4.911 4.550 0.002 0.000 0.288 239 Y C 1.805 177.885 175.900 0.301 0.000 1.118 239 Y CA 0.784 59.036 58.100 0.255 0.000 1.215 239 Y CB -0.391 38.180 38.460 0.185 0.000 1.118 239 Y HN 0.032 nan 8.280 nan 0.000 0.547 240 G N 0.836 109.867 108.800 0.385 0.000 2.325 240 G HA2 -0.206 3.755 3.960 0.002 0.000 0.248 240 G HA3 -0.206 3.755 3.960 0.002 0.000 0.248 240 G C -0.048 175.055 174.900 0.339 0.000 1.108 240 G CA 0.333 45.623 45.100 0.316 0.000 0.881 240 G HN 0.332 nan 8.290 nan 0.000 0.494 241 D N -0.560 120.010 120.400 0.283 0.000 2.346 241 D HA 0.057 4.698 4.640 0.002 0.000 0.206 241 D C 2.452 178.773 176.300 0.034 0.000 1.001 241 D CA -0.030 54.111 54.000 0.235 0.000 0.871 241 D CB 0.113 41.061 40.800 0.248 0.000 0.943 241 D HN 0.318 nan 8.370 nan 0.000 0.518 242 R N 0.611 121.134 120.500 0.038 0.000 2.070 242 R HA 0.024 4.365 4.340 0.002 0.000 0.233 242 R C 1.135 177.358 176.300 -0.128 0.000 1.137 242 R CA 0.649 56.727 56.100 -0.036 0.000 0.945 242 R CB -0.435 29.863 30.300 -0.004 0.000 0.845 242 R HN 0.278 nan 8.270 nan 0.000 0.430 243 L N -2.614 118.555 121.223 -0.090 0.000 2.639 243 L HA 0.374 4.715 4.340 0.002 0.000 0.264 243 L C -0.726 176.207 176.870 0.104 0.000 0.948 243 L CA -0.823 53.957 54.840 -0.100 0.000 0.912 243 L CB 1.444 43.521 42.059 0.030 0.000 1.294 243 L HN -0.062 nan 8.230 nan 0.000 0.412 244 F N 2.060 122.159 119.950 0.249 0.000 2.647 244 F HA 0.670 5.199 4.527 0.002 0.000 0.300 244 F C -0.444 175.563 175.800 0.346 0.000 1.106 244 F CA -1.376 56.776 58.000 0.253 0.000 1.313 244 F CB -0.190 38.936 39.000 0.209 0.000 1.007 244 F HN 0.386 nan 8.300 nan 0.000 0.536 245 F N 1.349 121.517 119.950 0.363 0.000 2.725 245 F HA 0.522 5.051 4.527 0.002 0.000 0.311 245 F C -2.069 173.868 175.800 0.228 0.000 1.121 245 F CA -1.767 56.365 58.000 0.220 0.000 0.978 245 F CB 1.164 40.308 39.000 0.239 0.000 1.274 245 F HN 0.074 nan 8.300 nan 0.000 0.440 246 Y N 4.639 124.627 120.300 -0.519 0.000 2.457 246 Y HA 0.709 5.260 4.550 0.002 0.000 0.322 246 Y C -2.600 172.999 175.900 -0.501 0.000 1.218 246 Y CA -1.832 56.078 58.100 -0.317 0.000 1.116 246 Y CB 0.838 39.294 38.460 -0.008 0.000 1.335 246 Y HN 0.617 nan 8.280 nan 0.000 0.452 247 L N 5.526 126.605 121.223 -0.239 0.000 2.376 247 L HA 0.730 5.071 4.340 0.002 0.000 0.275 247 L C -0.793 176.063 176.870 -0.023 0.000 0.987 247 L CA -1.021 53.638 54.840 -0.301 0.000 0.828 247 L CB 2.235 44.014 42.059 -0.467 0.000 1.249 247 L HN 0.883 nan 8.230 nan 0.000 0.409 248 R N 1.850 122.368 120.500 0.030 0.000 2.670 248 R HA 0.809 5.151 4.340 0.002 0.000 0.289 248 R C -1.130 175.185 176.300 0.026 0.000 0.965 248 R CA -1.041 55.110 56.100 0.084 0.000 0.899 248 R CB 2.376 32.752 30.300 0.126 0.000 1.173 248 R HN 0.390 nan 8.270 nan 0.000 0.456 249 K N 1.858 122.289 120.400 0.051 0.000 2.731 249 K HA 0.124 4.445 4.320 0.002 0.000 0.257 249 K C -1.642 175.006 176.600 0.081 0.000 1.032 249 K CA -0.399 55.912 56.287 0.040 0.000 0.983 249 K CB 1.477 33.976 32.500 -0.001 0.000 1.248 249 K HN 0.863 nan 8.250 nan 0.000 0.484 250 E N 3.504 123.762 120.200 0.097 0.000 2.266 250 E HA 0.374 4.726 4.350 0.002 0.000 0.268 250 E C -1.149 175.509 176.600 0.096 0.000 0.879 250 E CA -1.029 55.441 56.400 0.117 0.000 0.762 250 E CB 2.344 32.139 29.700 0.159 0.000 1.199 250 E HN 0.471 nan 8.360 nan 0.000 0.422 251 Q N 3.008 122.869 119.800 0.101 0.000 2.418 251 Q HA 0.681 5.022 4.340 0.002 0.000 0.282 251 Q C -1.102 174.965 176.000 0.112 0.000 1.044 251 Q CA -1.117 54.744 55.803 0.098 0.000 0.813 251 Q CB 2.806 31.600 28.738 0.094 0.000 1.428 251 Q HN 0.679 nan 8.270 nan 0.000 0.402 252 M N 2.001 121.675 119.600 0.123 0.000 2.724 252 M HA 0.528 5.009 4.480 0.002 0.000 0.280 252 M C -2.218 174.191 176.300 0.182 0.000 1.090 252 M CA -0.572 54.799 55.300 0.117 0.000 0.838 252 M CB 2.013 34.638 32.600 0.041 0.000 1.729 252 M HN 0.902 nan 8.290 nan 0.000 0.530 253 F N 1.402 121.348 119.950 -0.006 0.000 2.650 253 F HA 0.974 5.502 4.527 0.001 0.000 0.320 253 F C -1.129 174.648 175.800 -0.039 0.000 1.091 253 F CA -0.757 57.227 58.000 -0.025 0.000 0.962 253 F CB 1.306 40.287 39.000 -0.031 0.000 1.363 253 F HN 0.667 nan 8.300 nan 0.000 0.482 254 A N 2.388 125.230 122.820 0.038 0.000 2.343 254 A HA 0.514 4.835 4.320 0.002 0.000 0.305 254 A C 0.909 178.304 177.584 -0.316 0.000 1.308 254 A CA -0.485 51.452 52.037 -0.167 0.000 0.949 254 A CB 0.463 19.372 19.000 -0.150 0.000 1.148 254 A HN 0.918 nan 8.150 nan 0.000 0.545 255 R N 1.826 121.979 120.500 -0.578 0.000 2.051 255 R HA 0.069 4.411 4.340 0.002 0.000 0.225 255 R C -0.023 175.807 176.300 -0.784 0.000 1.155 255 R CA 1.690 57.470 56.100 -0.533 0.000 0.945 255 R CB -0.230 29.787 30.300 -0.472 0.000 0.840 255 R HN 0.856 nan 8.270 nan 0.000 0.432 256 H N -2.637 116.044 119.070 -0.647 0.000 2.834 256 H HA 0.423 4.980 4.556 0.002 0.000 0.369 256 H C -1.303 173.371 175.328 -1.091 0.000 1.174 256 H CA -0.702 54.906 56.048 -0.732 0.000 1.165 256 H CB 1.582 30.984 29.762 -0.601 0.000 1.820 256 H HN -0.040 nan 8.280 nan 0.000 0.558 257 F N 1.846 121.697 119.950 -0.164 0.000 2.449 257 F HA 0.407 4.934 4.527 0.000 0.000 0.342 257 F C -0.616 175.285 175.800 0.169 0.000 1.127 257 F CA -0.480 57.476 58.000 -0.074 0.000 0.975 257 F CB 0.865 39.865 39.000 -0.000 0.000 1.146 257 F HN 0.279 nan 8.300 nan 0.000 0.444 258 F N 1.173 121.303 119.950 0.300 0.000 2.572 258 F HA 0.438 4.966 4.527 0.002 0.000 0.342 258 F C -0.135 175.843 175.800 0.296 0.000 1.064 258 F CA -1.216 56.923 58.000 0.232 0.000 1.008 258 F CB 1.997 41.089 39.000 0.153 0.000 1.303 258 F HN 0.384 nan 8.300 nan 0.000 0.492 259 N N 0.577 119.545 118.700 0.447 0.000 2.352 259 N HA 0.275 5.016 4.740 0.002 0.000 0.291 259 N C -1.162 174.481 175.510 0.222 0.000 1.040 259 N CA -0.800 52.441 53.050 0.319 0.000 0.864 259 N CB 1.355 40.025 38.487 0.305 0.000 1.440 259 N HN 0.468 nan 8.380 nan 0.000 0.483 260 R N 1.224 121.805 120.500 0.135 0.000 2.577 260 R HA 0.493 4.834 4.340 0.002 0.000 0.269 260 R C -0.368 175.936 176.300 0.008 0.000 1.084 260 R CA -0.386 55.757 56.100 0.071 0.000 1.163 260 R CB 0.962 31.284 30.300 0.036 0.000 1.100 260 R HN 0.555 nan 8.270 nan 0.000 0.547 261 A N -0.174 122.617 122.820 -0.048 0.000 2.337 261 A HA 0.762 5.083 4.320 0.002 0.000 0.329 261 A C -0.072 177.432 177.584 -0.134 0.000 1.146 261 A CA 0.045 51.978 52.037 -0.175 0.000 0.800 261 A CB 1.581 20.471 19.000 -0.184 0.000 1.220 261 A HN 0.805 nan 8.150 nan 0.000 0.472 262 G N 0.048 108.753 108.800 -0.158 0.000 2.375 262 G HA2 0.478 4.439 3.960 0.002 0.000 0.663 262 G HA3 0.478 4.439 3.960 0.002 0.000 0.663 262 G C -0.238 174.602 174.900 -0.100 0.000 1.391 262 G CA -0.174 44.861 45.100 -0.108 0.000 0.949 262 G HN 2.000 nan 8.290 nan 0.000 0.646 263 T N -1.629 112.879 114.554 -0.076 0.000 2.940 263 T HA 0.425 4.777 4.350 0.002 0.000 0.309 263 T C 0.655 175.322 174.700 -0.056 0.000 1.056 263 T CA -0.010 62.051 62.100 -0.064 0.000 1.137 263 T CB 1.369 70.208 68.868 -0.048 0.000 0.976 263 T HN 1.431 nan 8.240 nan 0.000 0.547 264 V N 4.983 124.865 119.914 -0.054 0.000 2.326 264 V HA 0.272 4.393 4.120 0.002 0.000 0.249 264 V C 1.985 178.058 176.094 -0.035 0.000 1.114 264 V CA 0.275 62.545 62.300 -0.049 0.000 1.028 264 V CB -0.399 31.393 31.823 -0.053 0.000 1.170 264 V HN 1.226 nan 8.190 nan 0.000 0.494 265 G N 4.580 113.361 108.800 -0.031 0.000 2.596 265 G HA2 -0.221 3.740 3.960 0.002 0.000 0.223 265 G HA3 -0.221 3.740 3.960 0.002 0.000 0.223 265 G C 0.603 175.492 174.900 -0.020 0.000 1.120 265 G CA 0.629 45.716 45.100 -0.023 0.000 0.752 265 G HN 0.705 nan 8.290 nan 0.000 0.596 266 E N 0.709 120.896 120.200 -0.022 0.000 2.675 266 E HA 0.278 4.629 4.350 0.002 0.000 0.236 266 E C -2.501 174.088 176.600 -0.017 0.000 1.059 266 E CA -1.651 54.739 56.400 -0.017 0.000 0.775 266 E CB 1.779 31.470 29.700 -0.015 0.000 1.356 266 E HN 0.162 nan 8.360 nan 0.000 0.403 267 P HA -0.087 nan 4.420 nan 0.000 0.269 267 P C -0.396 176.901 177.300 -0.004 0.000 1.211 267 P CA -0.255 62.838 63.100 -0.011 0.000 0.781 267 P CB 0.536 32.233 31.700 -0.006 0.000 0.877 268 V N 3.647 123.562 119.914 0.003 0.000 2.521 268 V HA 0.089 4.211 4.120 0.002 0.000 0.286 268 V C -1.753 174.347 176.094 0.011 0.000 1.034 268 V CA -1.006 61.301 62.300 0.012 0.000 1.045 268 V CB -0.210 31.628 31.823 0.025 0.000 0.974 268 V HN 0.612 nan 8.190 nan 0.000 0.480 269 P HA 0.070 nan 4.420 nan 0.000 0.267 269 P C 0.599 177.905 177.300 0.010 0.000 1.200 269 P CA -0.118 62.987 63.100 0.008 0.000 0.772 269 P CB 0.515 32.220 31.700 0.008 0.000 0.855 270 D N 1.535 121.940 120.400 0.007 0.000 2.097 270 D HA -0.177 4.464 4.640 0.002 0.000 0.195 270 D C 1.214 177.518 176.300 0.007 0.000 0.989 270 D CA 1.412 55.416 54.000 0.007 0.000 0.827 270 D CB -0.369 40.434 40.800 0.005 0.000 0.966 270 D HN 0.599 nan 8.370 nan 0.000 0.456 271 D N 0.839 121.243 120.400 0.006 0.000 2.311 271 D HA -0.168 4.473 4.640 0.002 0.000 0.212 271 D C 2.022 178.327 176.300 0.007 0.000 0.972 271 D CA 0.452 54.455 54.000 0.006 0.000 0.887 271 D CB -0.347 40.456 40.800 0.005 0.000 0.915 271 D HN 0.297 nan 8.370 nan 0.000 0.497 272 L N 0.127 121.356 121.223 0.011 0.000 2.567 272 L HA 0.246 4.587 4.340 0.002 0.000 0.225 272 L C 0.854 177.733 176.870 0.016 0.000 1.119 272 L CA -0.018 54.831 54.840 0.014 0.000 0.871 272 L CB 0.180 42.250 42.059 0.019 0.000 1.036 272 L HN 0.154 nan 8.230 nan 0.000 0.459 273 L N -3.932 117.299 121.223 0.014 0.000 2.409 273 L HA 0.593 4.934 4.340 0.002 0.000 0.255 273 L C -1.054 175.820 176.870 0.006 0.000 1.027 273 L CA -0.877 53.972 54.840 0.014 0.000 0.834 273 L CB 2.271 44.344 42.059 0.022 0.000 1.426 273 L HN -0.471 nan 8.230 nan 0.000 0.411 274 V N 2.686 122.601 119.914 0.001 0.000 2.304 274 V HA 0.291 4.413 4.120 0.002 0.000 0.269 274 V C 0.213 176.300 176.094 -0.012 0.000 1.036 274 V CA -0.783 61.514 62.300 -0.006 0.000 0.840 274 V CB 0.711 32.529 31.823 -0.009 0.000 1.036 274 V HN 0.661 nan 8.190 nan 0.000 0.466 275 K N 3.224 123.618 120.400 -0.010 0.000 2.586 275 K HA 0.060 4.381 4.320 0.002 0.000 0.280 275 K C 0.639 177.221 176.600 -0.029 0.000 0.972 275 K CA 0.426 56.705 56.287 -0.014 0.000 1.040 275 K CB 0.521 33.016 32.500 -0.009 0.000 0.870 275 K HN 0.795 nan 8.250 nan 0.000 0.497 276 G N -0.070 108.702 108.800 -0.046 0.000 2.509 276 G HA2 0.492 4.453 3.960 0.002 0.000 0.328 276 G HA3 0.492 4.453 3.960 0.002 0.000 0.328 276 G C 0.548 175.414 174.900 -0.056 0.000 1.194 276 G CA -0.409 44.650 45.100 -0.069 0.000 0.967 276 G HN 0.504 nan 8.290 nan 0.000 0.488 277 G N -0.979 107.788 108.800 -0.056 0.000 3.192 277 G HA2 0.198 4.159 3.960 0.002 0.000 0.239 277 G HA3 0.198 4.159 3.960 0.002 0.000 0.239 277 G C 0.523 175.408 174.900 -0.025 0.000 1.084 277 G CA -0.093 44.986 45.100 -0.035 0.000 0.784 277 G HN 0.439 nan 8.290 nan 0.000 0.540 278 N N 0.663 119.344 118.700 -0.031 0.000 2.876 278 N HA 0.026 4.767 4.740 0.002 0.000 0.241 278 N C 1.335 176.842 175.510 -0.004 0.000 1.564 278 N CA 0.158 53.201 53.050 -0.012 0.000 0.976 278 N CB -0.350 38.129 38.487 -0.013 0.000 2.134 278 N HN 0.025 nan 8.380 nan 0.000 0.378 279 N N 1.707 120.415 118.700 0.013 0.000 2.060 279 N HA -0.186 4.555 4.740 0.002 0.000 0.195 279 N C 1.241 176.777 175.510 0.042 0.000 1.028 279 N CA 1.440 54.527 53.050 0.062 0.000 0.861 279 N CB -0.526 38.024 38.487 0.105 0.000 1.029 279 N HN 0.258 nan 8.380 nan 0.000 0.428 280 R N 0.607 121.022 120.500 -0.141 0.000 2.200 280 R HA -0.042 4.299 4.340 0.002 0.000 0.234 280 R C 2.099 178.328 176.300 -0.119 0.000 1.127 280 R CA 1.151 57.032 56.100 -0.365 0.000 0.989 280 R CB -1.372 28.676 30.300 -0.419 0.000 0.869 280 R HN 0.688 nan 8.270 nan 0.000 0.459 281 S N -0.091 115.586 115.700 -0.038 0.000 2.462 281 S HA -0.058 4.413 4.470 0.002 0.000 0.243 281 S C 0.804 175.427 174.600 0.037 0.000 1.003 281 S CA 0.635 58.834 58.200 -0.003 0.000 0.970 281 S CB -0.030 63.172 63.200 0.004 0.000 0.762 281 S HN 0.042 nan 8.310 nan 0.000 0.510 282 S N 2.049 117.803 115.700 0.090 0.000 2.488 282 S HA 0.478 4.949 4.470 0.002 0.000 0.310 282 S C -0.291 174.428 174.600 0.198 0.000 1.093 282 S CA -0.717 57.552 58.200 0.115 0.000 1.129 282 S CB 1.269 64.533 63.200 0.106 0.000 0.989 282 S HN 0.296 nan 8.310 nan 0.000 0.479 283 V N 3.498 123.499 119.914 0.146 0.000 2.644 283 V HA 0.118 4.239 4.120 0.002 0.000 0.305 283 V C 1.042 177.231 176.094 0.157 0.000 1.053 283 V CA -0.040 62.371 62.300 0.185 0.000 1.186 283 V CB -0.200 31.686 31.823 0.104 0.000 0.895 283 V HN 0.910 nan 8.190 nan 0.000 0.490 284 A N 4.499 127.433 122.820 0.190 0.000 2.310 284 A HA 0.423 4.745 4.320 0.002 0.000 0.260 284 A C 0.788 178.377 177.584 0.009 0.000 1.112 284 A CA -0.032 52.029 52.037 0.041 0.000 0.804 284 A CB 0.237 19.195 19.000 -0.069 0.000 1.081 284 A HN 0.863 nan 8.150 nan 0.000 0.499 285 S N -0.228 115.452 115.700 -0.033 0.000 2.498 285 S HA 0.218 4.689 4.470 0.002 0.000 0.281 285 S C 0.945 175.412 174.600 -0.222 0.000 1.265 285 S CA 0.073 58.214 58.200 -0.099 0.000 1.071 285 S CB -0.234 62.911 63.200 -0.092 0.000 0.894 285 S HN 0.950 nan 8.310 nan 0.000 0.491 286 S N 4.930 120.448 115.700 -0.305 0.000 2.618 286 S HA 0.328 4.799 4.470 0.002 0.000 0.242 286 S C 0.236 174.334 174.600 -0.837 0.000 0.972 286 S CA -0.464 57.353 58.200 -0.637 0.000 1.004 286 S CB -0.419 62.653 63.200 -0.214 0.000 0.778 286 S HN 0.730 nan 8.310 nan 0.000 0.459 287 I N 2.906 123.132 120.570 -0.573 0.000 2.317 287 I HA 0.279 4.450 4.170 0.002 0.000 0.286 287 I C -0.629 175.367 176.117 -0.202 0.000 1.119 287 I CA -0.671 60.450 61.300 -0.299 0.000 1.228 287 I CB -0.134 37.792 38.000 -0.122 0.000 1.476 287 I HN 0.274 nan 8.210 nan 0.000 0.514 288 Y N 4.047 124.423 120.300 0.126 0.000 2.314 288 Y HA 0.515 5.066 4.550 0.001 0.000 0.334 288 Y C 0.576 176.603 175.900 0.212 0.000 1.266 288 Y CA -0.543 57.662 58.100 0.175 0.000 1.391 288 Y CB 0.922 39.474 38.460 0.154 0.000 1.306 288 Y HN 0.106 nan 8.280 nan 0.000 0.558 289 V N 0.402 120.591 119.914 0.457 0.000 3.232 289 V HA 0.332 4.453 4.120 0.002 0.000 0.303 289 V C -1.078 175.207 176.094 0.318 0.000 1.311 289 V CA -1.026 61.503 62.300 0.382 0.000 1.061 289 V CB 2.438 34.476 31.823 0.359 0.000 1.085 289 V HN 0.908 nan 8.190 nan 0.000 0.447 290 H N -0.991 118.071 119.070 -0.012 0.000 2.806 290 H HA 0.537 5.094 4.556 0.002 0.000 0.367 290 H C -1.106 173.971 175.328 -0.419 0.000 1.136 290 H CA -0.657 55.194 56.048 -0.329 0.000 1.178 290 H CB 1.756 31.316 29.762 -0.337 0.000 1.718 290 H HN 0.485 nan 8.280 nan 0.000 0.540 291 T N 6.220 120.336 114.554 -0.730 0.000 2.779 291 T HA 0.220 4.572 4.350 0.002 0.000 0.296 291 T C -2.172 172.165 174.700 -0.605 0.000 0.938 291 T CA -0.732 61.030 62.100 -0.564 0.000 1.119 291 T CB 0.828 69.459 68.868 -0.396 0.000 0.891 291 T HN 0.495 nan 8.240 nan 0.000 0.526 292 P HA 0.439 nan 4.420 nan 0.000 0.279 292 P C -0.787 176.258 177.300 -0.425 0.000 1.276 292 P CA -0.590 62.209 63.100 -0.501 0.000 0.801 292 P CB 1.104 32.500 31.700 -0.507 0.000 1.127 293 S N -1.065 114.351 115.700 -0.473 0.000 2.579 293 S HA 0.549 5.020 4.470 0.002 0.000 0.290 293 S C -0.855 173.596 174.600 -0.248 0.000 1.123 293 S CA -0.615 57.316 58.200 -0.447 0.000 0.894 293 S CB 0.251 62.969 63.200 -0.804 0.000 1.095 293 S HN 0.651 nan 8.310 nan 0.000 0.450 294 G N 2.495 111.299 108.800 0.007 0.000 2.367 294 G HA2 0.539 4.500 3.960 0.002 0.000 0.314 294 G HA3 0.539 4.500 3.960 0.002 0.000 0.314 294 G C 0.375 175.419 174.900 0.240 0.000 1.130 294 G CA -0.336 44.851 45.100 0.144 0.000 0.864 294 G HN 0.760 nan 8.290 nan 0.000 0.486 295 S N -0.184 115.689 115.700 0.289 0.000 2.459 295 S HA 0.182 4.653 4.470 0.002 0.000 0.231 295 S C 0.999 175.686 174.600 0.144 0.000 1.353 295 S CA -0.088 58.252 58.200 0.233 0.000 0.988 295 S CB -0.240 63.026 63.200 0.110 0.000 0.860 295 S HN 0.723 nan 8.310 nan 0.000 0.494 296 L N 0.729 122.004 121.223 0.088 0.000 2.456 296 L HA 0.738 5.079 4.340 0.002 0.000 0.257 296 L C -0.343 176.566 176.870 0.065 0.000 1.162 296 L CA -1.116 53.765 54.840 0.068 0.000 0.808 296 L CB 0.475 42.559 42.059 0.042 0.000 1.136 296 L HN 0.373 nan 8.230 nan 0.000 0.466 297 V N 0.186 120.135 119.914 0.058 0.000 2.581 297 V HA 0.904 5.026 4.120 0.002 0.000 0.303 297 V C -0.039 176.079 176.094 0.040 0.000 1.041 297 V CA 0.203 62.535 62.300 0.055 0.000 0.907 297 V CB 1.083 32.941 31.823 0.058 0.000 0.994 297 V HN 1.130 nan 8.190 nan 0.000 0.442 298 S N 1.823 117.545 115.700 0.035 0.000 2.579 298 S HA 0.502 4.973 4.470 0.002 0.000 0.272 298 S C 0.531 175.146 174.600 0.025 0.000 1.141 298 S CA -0.031 58.184 58.200 0.026 0.000 0.843 298 S CB 1.410 64.622 63.200 0.020 0.000 1.122 298 S HN 0.812 nan 8.310 nan 0.000 0.468 299 S N 0.839 116.551 115.700 0.019 0.000 2.368 299 S HA -0.101 4.370 4.470 0.002 0.000 0.225 299 S C 1.578 176.187 174.600 0.015 0.000 1.030 299 S CA 1.696 59.907 58.200 0.018 0.000 0.999 299 S CB -0.602 62.605 63.200 0.012 0.000 0.844 299 S HN 0.810 nan 8.310 nan 0.000 0.459 300 E N 1.473 121.680 120.200 0.011 0.000 2.187 300 E HA -0.110 4.242 4.350 0.002 0.000 0.199 300 E C 1.770 178.373 176.600 0.006 0.000 1.004 300 E CA 1.245 57.649 56.400 0.007 0.000 0.813 300 E CB -0.308 29.396 29.700 0.006 0.000 0.736 300 E HN 0.531 nan 8.360 nan 0.000 0.468 301 A N -0.031 122.795 122.820 0.010 0.000 2.275 301 A HA 0.042 4.364 4.320 0.002 0.000 0.212 301 A C 0.485 178.069 177.584 -0.001 0.000 1.201 301 A CA -0.207 51.833 52.037 0.005 0.000 0.843 301 A CB 0.102 19.111 19.000 0.014 0.000 0.873 301 A HN -0.010 nan 8.150 nan 0.000 0.492 302 Q N -0.212 119.594 119.800 0.010 0.000 2.286 302 Q HA 0.048 4.389 4.340 0.002 0.000 0.290 302 Q C 0.674 176.654 176.000 -0.034 0.000 1.049 302 Q CA 0.134 55.946 55.803 0.015 0.000 0.923 302 Q CB 1.022 29.783 28.738 0.039 0.000 1.183 302 Q HN 0.426 nan 8.270 nan 0.000 0.383 303 L N 3.611 124.757 121.223 -0.129 0.000 2.200 303 L HA 0.124 4.465 4.340 0.002 0.000 0.200 303 L C 0.378 177.094 176.870 -0.256 0.000 1.072 303 L CA 1.141 55.802 54.840 -0.299 0.000 0.787 303 L CB -0.036 41.636 42.059 -0.645 0.000 0.957 303 L HN 0.505 nan 8.230 nan 0.000 0.459 304 F N 0.084 120.110 119.950 0.127 0.000 2.239 304 F HA 0.185 4.713 4.527 0.002 0.000 0.288 304 F C 1.406 177.181 175.800 -0.042 0.000 1.225 304 F CA -0.063 57.978 58.000 0.070 0.000 1.162 304 F CB -0.382 38.646 39.000 0.045 0.000 1.484 304 F HN 0.047 nan 8.300 nan 0.000 0.512 305 N N -0.527 118.234 118.700 0.101 0.000 2.747 305 N HA -0.224 4.517 4.740 0.002 0.000 0.249 305 N C -1.451 173.993 175.510 -0.110 0.000 1.107 305 N CA 0.518 53.546 53.050 -0.036 0.000 0.707 305 N CB -0.886 37.601 38.487 0.000 0.000 1.054 305 N HN 0.410 nan 8.380 nan 0.000 0.555 306 K N 0.040 120.302 120.400 -0.230 0.000 2.513 306 K HA 0.367 4.688 4.320 0.002 0.000 0.251 306 K C -2.727 173.499 176.600 -0.623 0.000 0.939 306 K CA -1.626 54.497 56.287 -0.274 0.000 0.793 306 K CB 2.593 35.025 32.500 -0.112 0.000 1.241 306 K HN -0.150 nan 8.250 nan 0.000 0.431 307 P HA 0.020 nan 4.420 nan 0.000 0.271 307 P C -1.269 175.523 177.300 -0.847 0.000 1.216 307 P CA 0.058 62.669 63.100 -0.816 0.000 0.776 307 P CB 0.326 31.616 31.700 -0.683 0.000 0.881 308 Y N 0.903 120.772 120.300 -0.718 0.000 2.326 308 Y HA 0.331 4.882 4.550 0.002 0.000 0.331 308 Y C -0.148 175.316 175.900 -0.726 0.000 0.962 308 Y CA -0.893 56.888 58.100 -0.531 0.000 1.167 308 Y CB 1.262 39.523 38.460 -0.331 0.000 1.148 308 Y HN 0.343 nan 8.280 nan 0.000 0.463 309 W N 5.986 127.293 121.300 0.012 0.000 2.311 309 W HA 0.527 5.188 4.660 0.002 0.000 0.317 309 W C -0.664 175.806 176.519 -0.082 0.000 1.065 309 W CA -0.992 56.326 57.345 -0.046 0.000 1.364 309 W CB 0.855 30.326 29.460 0.019 0.000 1.233 309 W HN 0.354 nan 8.180 nan 0.000 0.409 310 L N 2.175 123.408 121.223 0.018 0.000 2.283 310 L HA 0.381 4.723 4.340 0.002 0.000 0.287 310 L C 0.976 177.885 176.870 0.066 0.000 1.073 310 L CA -0.404 54.416 54.840 -0.033 0.000 0.822 310 L CB 0.722 42.672 42.059 -0.182 0.000 1.186 310 L HN 0.605 nan 8.230 nan 0.000 0.436 311 Q N 1.812 121.673 119.800 0.102 0.000 2.391 311 Q HA 0.196 4.538 4.340 0.002 0.000 0.243 311 Q C 0.069 176.108 176.000 0.065 0.000 0.874 311 Q CA -0.186 55.671 55.803 0.090 0.000 0.950 311 Q CB 0.483 29.281 28.738 0.101 0.000 1.103 311 Q HN 0.547 nan 8.270 nan 0.000 0.544 312 K N 1.537 121.982 120.400 0.074 0.000 2.764 312 K HA 0.480 4.801 4.320 0.002 0.000 0.239 312 K C -1.329 175.321 176.600 0.084 0.000 1.048 312 K CA -0.182 56.144 56.287 0.066 0.000 1.057 312 K CB 1.110 33.649 32.500 0.065 0.000 1.251 312 K HN 0.250 nan 8.250 nan 0.000 0.524 313 A N 2.341 125.206 122.820 0.074 0.000 2.507 313 A HA 0.125 4.447 4.320 0.002 0.000 0.235 313 A C 0.665 178.322 177.584 0.122 0.000 1.070 313 A CA 0.361 52.476 52.037 0.130 0.000 0.768 313 A CB 0.294 19.366 19.000 0.120 0.000 1.011 313 A HN 0.792 nan 8.150 nan 0.000 0.502 314 Q N 1.307 121.195 119.800 0.147 0.000 2.378 314 Q HA 0.225 4.566 4.340 0.002 0.000 0.205 314 Q C 0.855 176.892 176.000 0.062 0.000 0.954 314 Q CA 0.952 56.812 55.803 0.095 0.000 0.901 314 Q CB -0.846 27.954 28.738 0.104 0.000 0.981 314 Q HN 0.745 nan 8.270 nan 0.000 0.483 315 G N -0.851 108.018 108.800 0.116 0.000 2.568 315 G HA2 0.298 4.259 3.960 0.002 0.000 0.293 315 G HA3 0.298 4.259 3.960 0.002 0.000 0.293 315 G C -0.468 174.457 174.900 0.043 0.000 1.347 315 G CA -0.570 44.578 45.100 0.080 0.000 1.039 315 G HN 0.282 nan 8.290 nan 0.000 0.523 316 H N -1.108 118.112 119.070 0.250 0.000 2.482 316 H HA 0.059 4.616 4.556 0.002 0.000 0.286 316 H C 0.789 176.291 175.328 0.290 0.000 1.017 316 H CA 0.314 56.520 56.048 0.263 0.000 1.322 316 H CB 0.424 30.373 29.762 0.311 0.000 1.426 316 H HN 0.265 nan 8.280 nan 0.000 0.546 317 N N 1.462 120.429 118.700 0.445 0.000 2.415 317 N HA -0.077 4.664 4.740 0.002 0.000 0.246 317 N C -0.734 174.887 175.510 0.185 0.000 1.078 317 N CA 0.021 53.304 53.050 0.389 0.000 0.942 317 N CB 0.040 38.850 38.487 0.539 0.000 1.140 317 N HN 0.202 nan 8.380 nan 0.000 0.501 318 N N 3.001 121.720 118.700 0.031 0.000 3.303 318 N HA 0.109 4.850 4.740 0.002 0.000 0.304 318 N C 0.379 175.685 175.510 -0.340 0.000 1.302 318 N CA 0.427 53.407 53.050 -0.116 0.000 1.213 318 N CB -0.522 37.939 38.487 -0.043 0.000 1.481 318 N HN 0.826 nan 8.380 nan 0.000 0.546 319 G N 1.391 109.713 108.800 -0.795 0.000 2.160 319 G HA2 -0.218 3.743 3.960 0.002 0.000 0.244 319 G HA3 -0.218 3.743 3.960 0.002 0.000 0.244 319 G C 0.070 174.740 174.900 -0.383 0.000 1.022 319 G CA -0.394 44.085 45.100 -1.035 0.000 0.741 319 G HN 0.409 nan 8.290 nan 0.000 0.508 320 I N 0.926 121.327 120.570 -0.281 0.000 2.363 320 I HA 0.166 4.337 4.170 0.002 0.000 0.292 320 I C 1.147 177.085 176.117 -0.299 0.000 1.075 320 I CA -0.922 60.142 61.300 -0.394 0.000 1.333 320 I CB 0.512 38.048 38.000 -0.773 0.000 1.415 320 I HN 0.162 nan 8.210 nan 0.000 0.502 321 C N 6.610 125.846 119.300 -0.107 0.000 2.896 321 C HA 0.103 4.565 4.460 0.002 0.000 0.499 321 C C 0.642 175.658 174.990 0.044 0.000 1.022 321 C CA -1.084 57.969 59.018 0.059 0.000 1.127 321 C CB -2.302 25.515 27.740 0.128 0.000 1.452 321 C HN 0.605 nan 8.230 nan 0.000 0.580 322 W N 0.634 122.013 121.300 0.131 0.000 2.314 322 W HA 0.337 4.998 4.660 0.002 0.000 0.339 322 W C 1.408 177.894 176.519 -0.054 0.000 1.293 322 W CA 1.327 58.691 57.345 0.032 0.000 1.288 322 W CB 0.227 29.685 29.460 -0.003 0.000 1.186 322 W HN 0.894 nan 8.180 nan 0.000 0.566 323 G N 2.552 111.437 108.800 0.142 0.000 2.155 323 G HA2 -0.436 3.525 3.960 0.002 0.000 0.257 323 G HA3 -0.436 3.525 3.960 0.002 0.000 0.257 323 G C 0.453 175.231 174.900 -0.202 0.000 0.983 323 G CA 0.209 45.230 45.100 -0.131 0.000 0.676 323 G HN 0.881 nan 8.290 nan 0.000 0.528 324 N N -1.024 117.670 118.700 -0.010 0.000 2.741 324 N HA -0.186 4.555 4.740 0.002 0.000 0.250 324 N C 0.106 175.640 175.510 0.039 0.000 1.115 324 N CA 1.910 54.969 53.050 0.014 0.000 0.724 324 N CB -1.876 36.606 38.487 -0.008 0.000 1.090 324 N HN 0.889 nan 8.380 nan 0.000 0.558 325 H N -0.190 118.886 119.070 0.010 0.000 2.615 325 H HA 0.758 5.315 4.556 0.002 0.000 0.346 325 H C 0.072 175.397 175.328 -0.005 0.000 1.200 325 H CA -0.780 55.258 56.048 -0.016 0.000 1.264 325 H CB 1.937 31.705 29.762 0.010 0.000 1.699 325 H HN -0.008 nan 8.280 nan 0.000 0.567 326 L N 1.523 122.797 121.223 0.084 0.000 2.795 326 L HA 0.159 4.500 4.340 0.002 0.000 0.260 326 L C -1.308 175.557 176.870 -0.009 0.000 0.935 326 L CA -0.216 54.662 54.840 0.063 0.000 0.985 326 L CB 1.722 43.811 42.059 0.049 0.000 1.433 326 L HN 0.543 nan 8.230 nan 0.000 0.447 327 S N 2.902 118.588 115.700 -0.024 0.000 2.429 327 S HA 0.602 5.073 4.470 0.002 0.000 0.302 327 S C -0.417 174.213 174.600 0.051 0.000 1.115 327 S CA -0.424 57.737 58.200 -0.066 0.000 1.095 327 S CB 1.734 64.819 63.200 -0.193 0.000 0.987 327 S HN 0.304 nan 8.310 nan 0.000 0.474 328 V N 4.243 124.245 119.914 0.147 0.000 2.350 328 V HA 0.376 4.497 4.120 0.002 0.000 0.285 328 V C 0.121 176.370 176.094 0.258 0.000 1.014 328 V CA -0.583 61.863 62.300 0.244 0.000 0.831 328 V CB 1.541 33.561 31.823 0.328 0.000 1.000 328 V HN 0.838 nan 8.190 nan 0.000 0.433 329 T N 4.713 119.391 114.554 0.206 0.000 2.837 329 T HA 0.707 5.058 4.350 0.002 0.000 0.285 329 T C -0.337 174.526 174.700 0.273 0.000 0.984 329 T CA -0.334 61.885 62.100 0.198 0.000 1.049 329 T CB 1.684 70.647 68.868 0.159 0.000 0.947 329 T HN 0.372 nan 8.240 nan 0.000 0.472 330 V N 3.003 123.070 119.914 0.256 0.000 2.888 330 V HA 0.639 4.760 4.120 0.002 0.000 0.309 330 V C -0.911 175.313 176.094 0.217 0.000 1.114 330 V CA -0.765 61.712 62.300 0.295 0.000 0.940 330 V CB 2.437 34.427 31.823 0.278 0.000 1.021 330 V HN 0.690 nan 8.190 nan 0.000 0.426 331 V N 2.738 122.798 119.914 0.243 0.000 2.612 331 V HA 0.631 4.752 4.120 0.002 0.000 0.301 331 V C -1.532 174.694 176.094 0.221 0.000 1.059 331 V CA -0.352 62.011 62.300 0.106 0.000 0.886 331 V CB 2.037 33.818 31.823 -0.071 0.000 1.007 331 V HN 1.005 nan 8.190 nan 0.000 0.426 332 D N 2.440 122.911 120.400 0.118 0.000 2.478 332 D HA 0.343 4.984 4.640 0.002 0.000 0.240 332 D C 0.615 176.911 176.300 -0.007 0.000 1.364 332 D CA 0.201 54.287 54.000 0.143 0.000 0.987 332 D CB 2.126 42.958 40.800 0.053 0.000 1.328 332 D HN 0.593 nan 8.370 nan 0.000 0.584 333 T N -0.660 113.866 114.554 -0.047 0.000 3.069 333 T HA 0.017 4.368 4.350 0.002 0.000 0.252 333 T C 1.542 176.184 174.700 -0.096 0.000 1.053 333 T CA 0.713 62.672 62.100 -0.236 0.000 0.964 333 T CB -0.165 68.487 68.868 -0.361 0.000 1.005 333 T HN 0.331 nan 8.240 nan 0.000 0.532 334 T N 0.031 114.591 114.554 0.010 0.000 3.163 334 T HA 0.136 4.487 4.350 0.002 0.000 0.260 334 T C 1.198 175.909 174.700 0.018 0.000 1.156 334 T CA 0.050 62.172 62.100 0.038 0.000 1.072 334 T CB -0.376 68.541 68.868 0.081 0.000 0.937 334 T HN 0.444 nan 8.240 nan 0.000 0.528 335 R N 0.888 121.385 120.500 -0.005 0.000 2.688 335 R HA 0.231 4.573 4.340 0.002 0.000 0.396 335 R C 0.634 176.984 176.300 0.083 0.000 1.081 335 R CA 0.101 56.206 56.100 0.009 0.000 1.093 335 R CB 0.695 30.968 30.300 -0.044 0.000 1.338 335 R HN 0.438 nan 8.270 nan 0.000 0.613 336 S N -0.980 114.731 115.700 0.020 0.000 2.618 336 S HA 0.014 4.486 4.470 0.002 0.000 0.242 336 S C 0.608 175.145 174.600 -0.106 0.000 0.972 336 S CA -0.547 57.612 58.200 -0.068 0.000 1.004 336 S CB -0.058 62.975 63.200 -0.278 0.000 0.778 336 S HN 0.118 nan 8.310 nan 0.000 0.459 337 T N 2.604 117.187 114.554 0.048 0.000 2.867 337 T HA 0.123 4.475 4.350 0.002 0.000 0.297 337 T C -0.123 174.597 174.700 0.033 0.000 0.989 337 T CA -0.216 61.900 62.100 0.027 0.000 1.159 337 T CB -0.217 68.679 68.868 0.046 0.000 0.928 337 T HN 0.441 nan 8.240 nan 0.000 0.538 338 N N 3.844 122.511 118.700 -0.055 0.000 2.645 338 N HA 0.264 5.005 4.740 0.002 0.000 0.233 338 N C 0.508 175.990 175.510 -0.047 0.000 1.058 338 N CA -0.583 52.414 53.050 -0.089 0.000 0.942 338 N CB 0.456 38.831 38.487 -0.187 0.000 1.210 338 N HN 0.669 nan 8.380 nan 0.000 0.512 339 M N -0.404 119.193 119.600 -0.004 0.000 2.232 339 M HA 0.257 4.738 4.480 0.002 0.000 0.321 339 M C -0.002 176.279 176.300 -0.030 0.000 1.101 339 M CA 0.208 55.502 55.300 -0.011 0.000 1.181 339 M CB 0.331 32.933 32.600 0.002 0.000 1.432 339 M HN 0.038 nan 8.290 nan 0.000 0.457 340 T N 3.340 117.887 114.554 -0.012 0.000 2.887 340 T HA 0.827 5.178 4.350 0.002 0.000 0.288 340 T C -0.757 173.959 174.700 0.028 0.000 1.021 340 T CA -0.937 61.165 62.100 0.003 0.000 1.000 340 T CB 1.400 70.268 68.868 0.000 0.000 1.034 340 T HN 0.699 nan 8.240 nan 0.000 0.467 341 L N 0.713 121.979 121.223 0.072 0.000 2.505 341 L HA 0.952 5.293 4.340 0.002 0.000 0.259 341 L C -0.951 176.022 176.870 0.172 0.000 0.952 341 L CA -1.144 53.748 54.840 0.088 0.000 0.840 341 L CB 1.457 43.554 42.059 0.063 0.000 1.358 341 L HN 0.835 nan 8.230 nan 0.000 0.409 342 C N 1.101 120.481 119.300 0.132 0.000 2.698 342 C HA 0.998 5.460 4.460 0.002 0.000 0.309 342 C C 0.166 175.263 174.990 0.178 0.000 1.186 342 C CA 0.095 59.217 59.018 0.173 0.000 1.474 342 C CB 0.890 28.663 27.740 0.055 0.000 2.020 342 C HN 1.301 nan 8.230 nan 0.000 0.474 343 A N 3.205 126.180 122.820 0.260 0.000 2.350 343 A HA 0.882 5.203 4.320 0.002 0.000 0.324 343 A C 0.222 177.969 177.584 0.271 0.000 1.118 343 A CA 0.014 52.185 52.037 0.223 0.000 0.783 343 A CB 1.055 20.171 19.000 0.193 0.000 1.236 343 A HN 1.919 nan 8.150 nan 0.000 0.457 344 S N 0.467 116.320 115.700 0.256 0.000 2.632 344 S HA 0.521 4.992 4.470 0.002 0.000 0.267 344 S C 0.191 174.800 174.600 0.015 0.000 1.276 344 S CA -0.130 58.168 58.200 0.164 0.000 0.998 344 S CB 1.321 64.600 63.200 0.130 0.000 0.953 344 S HN 0.958 nan 8.310 nan 0.000 0.547 345 V N 0.259 120.106 119.914 -0.111 0.000 3.382 345 V HA 0.307 4.428 4.120 0.002 0.000 0.296 345 V C 0.228 176.251 176.094 -0.119 0.000 1.529 345 V CA -0.068 62.184 62.300 -0.080 0.000 1.048 345 V CB 0.340 32.123 31.823 -0.065 0.000 0.878 345 V HN 0.904 nan 8.190 nan 0.000 0.442 346 S N -0.254 115.329 115.700 -0.195 0.000 2.801 346 S HA 0.224 4.695 4.470 0.002 0.000 0.236 346 S C 0.182 174.681 174.600 -0.169 0.000 0.852 346 S CA -0.615 57.482 58.200 -0.172 0.000 1.089 346 S CB 0.123 63.207 63.200 -0.194 0.000 1.376 346 S HN 0.343 nan 8.310 nan 0.000 0.470 347 K N 1.946 122.275 120.400 -0.119 0.000 2.188 347 K HA 0.018 4.339 4.320 0.002 0.000 0.203 347 K C 0.840 177.417 176.600 -0.038 0.000 1.033 347 K CA 0.239 56.491 56.287 -0.060 0.000 1.296 347 K CB -0.319 32.179 32.500 -0.003 0.000 1.009 347 K HN 0.350 nan 8.250 nan 0.000 0.243 348 S N -0.568 115.099 115.700 -0.056 0.000 4.199 348 S HA 0.096 4.567 4.470 0.002 0.000 0.180 348 S C -0.179 174.404 174.600 -0.029 0.000 1.034 348 S CA 0.148 58.332 58.200 -0.028 0.000 1.276 348 S CB -0.388 62.796 63.200 -0.027 0.000 1.471 348 S HN 0.504 nan 8.310 nan 0.000 0.439 349 A N 1.972 124.756 122.820 -0.059 0.000 2.614 349 A HA 0.381 4.702 4.320 0.002 0.000 0.231 349 A C 0.310 177.883 177.584 -0.018 0.000 1.076 349 A CA 1.033 53.041 52.037 -0.048 0.000 0.767 349 A CB -0.411 18.539 19.000 -0.083 0.000 1.012 349 A HN 0.462 nan 8.150 nan 0.000 0.512 350 T N 1.887 116.448 114.554 0.012 0.000 2.769 350 T HA 0.244 4.596 4.350 0.002 0.000 0.293 350 T C -0.072 174.685 174.700 0.096 0.000 0.931 350 T CA 0.622 62.760 62.100 0.064 0.000 1.139 350 T CB -0.653 68.252 68.868 0.061 0.000 0.881 350 T HN 0.484 nan 8.240 nan 0.000 0.532 351 Y N 3.862 124.195 120.300 0.054 0.000 2.501 351 Y HA -0.250 4.301 4.550 0.002 0.000 0.409 351 Y C 0.311 176.255 175.900 0.074 0.000 1.119 351 Y CA 0.881 59.037 58.100 0.094 0.000 1.469 351 Y CB -0.491 38.024 38.460 0.092 0.000 1.192 351 Y HN 0.582 nan 8.280 nan 0.000 0.433 352 T N 6.164 120.489 114.554 -0.382 0.000 2.949 352 T HA 0.178 4.529 4.350 0.002 0.000 0.300 352 T C 0.865 175.400 174.700 -0.274 0.000 0.988 352 T CA -0.458 61.514 62.100 -0.214 0.000 0.993 352 T CB 1.152 69.926 68.868 -0.157 0.000 0.984 352 T HN 0.693 nan 8.240 nan 0.000 0.442 353 N N 1.634 120.283 118.700 -0.086 0.000 2.060 353 N HA -0.207 4.534 4.740 0.002 0.000 0.195 353 N C 2.142 177.645 175.510 -0.012 0.000 1.028 353 N CA 1.676 54.742 53.050 0.027 0.000 0.861 353 N CB 0.025 38.565 38.487 0.089 0.000 1.029 353 N HN 0.647 nan 8.380 nan 0.000 0.428 354 S N 0.225 115.886 115.700 -0.066 0.000 2.465 354 S HA -0.122 4.350 4.470 0.002 0.000 0.241 354 S C 0.949 175.449 174.600 -0.167 0.000 1.000 354 S CA 1.207 59.358 58.200 -0.082 0.000 0.964 354 S CB -0.108 63.049 63.200 -0.072 0.000 0.763 354 S HN 0.210 nan 8.310 nan 0.000 0.512 355 D N 0.388 120.585 120.400 -0.338 0.000 2.371 355 D HA 0.154 4.795 4.640 0.002 0.000 0.221 355 D C -0.342 175.527 176.300 -0.718 0.000 0.986 355 D CA 0.707 54.342 54.000 -0.609 0.000 0.899 355 D CB -0.054 40.166 40.800 -0.967 0.000 0.902 355 D HN 0.617 nan 8.370 nan 0.000 0.530 356 Y N -0.613 119.634 120.300 -0.089 0.000 2.545 356 Y HA 0.443 4.994 4.550 0.001 0.000 0.348 356 Y C 0.247 176.116 175.900 -0.052 0.000 1.002 356 Y CA -1.220 56.849 58.100 -0.052 0.000 1.039 356 Y CB 1.838 40.268 38.460 -0.049 0.000 1.271 356 Y HN -0.517 nan 8.280 nan 0.000 0.467 357 K N 2.369 122.853 120.400 0.140 0.000 2.394 357 K HA 0.294 4.615 4.320 0.002 0.000 0.260 357 K C -1.030 175.472 176.600 -0.164 0.000 0.967 357 K CA -0.769 55.480 56.287 -0.063 0.000 0.855 357 K CB 1.627 34.085 32.500 -0.070 0.000 1.101 357 K HN 0.590 nan 8.250 nan 0.000 0.433 358 E N 2.436 122.495 120.200 -0.235 0.000 2.301 358 E HA 0.252 4.603 4.350 0.002 0.000 0.275 358 E C -0.654 175.722 176.600 -0.373 0.000 1.030 358 E CA -0.165 56.138 56.400 -0.162 0.000 0.852 358 E CB 1.029 30.692 29.700 -0.063 0.000 1.060 358 E HN 0.362 nan 8.360 nan 0.000 0.401 359 Y N 0.068 120.387 120.300 0.033 0.000 2.665 359 Y HA 0.456 5.008 4.550 0.003 0.000 0.336 359 Y C 0.294 176.168 175.900 -0.044 0.000 1.085 359 Y CA -1.061 57.056 58.100 0.028 0.000 1.096 359 Y CB 1.509 39.990 38.460 0.036 0.000 1.301 359 Y HN 0.207 nan 8.280 nan 0.000 0.493 360 M N 2.185 121.825 119.600 0.067 0.000 2.259 360 M HA 0.502 4.983 4.480 0.002 0.000 0.304 360 M C -1.200 174.932 176.300 -0.281 0.000 1.019 360 M CA -0.685 54.472 55.300 -0.238 0.000 0.922 360 M CB 1.931 34.159 32.600 -0.619 0.000 1.600 360 M HN 0.564 nan 8.290 nan 0.000 0.433 361 R N 1.424 121.809 120.500 -0.191 0.000 2.564 361 R HA 0.484 4.826 4.340 0.002 0.000 0.284 361 R C -1.266 175.010 176.300 -0.040 0.000 1.031 361 R CA -0.525 55.505 56.100 -0.117 0.000 0.904 361 R CB 2.105 32.375 30.300 -0.051 0.000 1.199 361 R HN 0.806 nan 8.270 nan 0.000 0.443 362 H N 0.796 119.779 119.070 -0.144 0.000 2.710 362 H HA 0.716 5.274 4.556 0.002 0.000 0.361 362 H C -1.052 174.252 175.328 -0.041 0.000 1.175 362 H CA -0.959 55.031 56.048 -0.096 0.000 1.206 362 H CB 2.224 31.929 29.762 -0.095 0.000 1.750 362 H HN 0.193 nan 8.280 nan 0.000 0.553 363 V N 2.321 121.807 119.914 -0.714 0.000 2.971 363 V HA 0.208 4.329 4.120 0.002 0.000 0.309 363 V C -1.022 174.735 176.094 -0.562 0.000 1.130 363 V CA -0.679 61.343 62.300 -0.463 0.000 0.964 363 V CB 2.214 33.908 31.823 -0.214 0.000 1.029 363 V HN 0.748 nan 8.190 nan 0.000 0.427 364 E N 1.996 122.056 120.200 -0.234 0.000 2.272 364 E HA 0.542 4.894 4.350 0.002 0.000 0.269 364 E C -1.206 175.347 176.600 -0.078 0.000 0.877 364 E CA -0.444 55.864 56.400 -0.152 0.000 0.755 364 E CB 2.069 31.838 29.700 0.114 0.000 1.192 364 E HN 0.693 nan 8.360 nan 0.000 0.422 365 E N 3.923 123.953 120.200 -0.283 0.000 2.255 365 E HA 0.385 4.736 4.350 0.002 0.000 0.256 365 E C -1.224 175.130 176.600 -0.409 0.000 0.887 365 E CA -0.380 55.901 56.400 -0.199 0.000 0.782 365 E CB 0.607 30.209 29.700 -0.162 0.000 1.214 365 E HN 0.307 nan 8.360 nan 0.000 0.417 366 F N 1.703 121.585 119.950 -0.114 0.000 2.613 366 F HA 0.464 4.993 4.527 0.002 0.000 0.342 366 F C 0.072 175.742 175.800 -0.216 0.000 1.066 366 F CA -0.671 57.198 58.000 -0.217 0.000 1.002 366 F CB 1.677 40.467 39.000 -0.350 0.000 1.319 366 F HN 0.287 nan 8.300 nan 0.000 0.495 367 D N 1.508 121.888 120.400 -0.034 0.000 2.668 367 D HA 0.176 4.817 4.640 0.002 0.000 0.234 367 D C -1.527 174.654 176.300 -0.199 0.000 1.349 367 D CA -0.109 53.828 54.000 -0.104 0.000 0.889 367 D CB 0.247 41.005 40.800 -0.070 0.000 1.520 367 D HN 0.352 nan 8.370 nan 0.000 0.521 368 L N 3.000 124.041 121.223 -0.303 0.000 2.369 368 L HA 0.285 4.626 4.340 0.002 0.000 0.279 368 L C 0.659 177.276 176.870 -0.421 0.000 1.108 368 L CA -0.002 54.564 54.840 -0.456 0.000 0.852 368 L CB 0.499 42.285 42.059 -0.455 0.000 1.169 368 L HN 0.272 nan 8.230 nan 0.000 0.452 369 Q N 3.245 122.650 119.800 -0.659 0.000 2.353 369 Q HA 0.722 5.064 4.340 0.002 0.000 0.268 369 Q C -1.387 174.106 176.000 -0.846 0.000 1.045 369 Q CA -0.746 54.752 55.803 -0.509 0.000 0.811 369 Q CB 2.307 30.891 28.738 -0.256 0.000 1.305 369 Q HN 0.306 nan 8.270 nan 0.000 0.447 370 F N 0.730 120.324 119.950 -0.593 0.000 2.764 370 F HA 0.686 5.215 4.527 0.002 0.000 0.347 370 F C -0.298 174.987 175.800 -0.859 0.000 1.151 370 F CA -1.377 56.185 58.000 -0.730 0.000 1.021 370 F CB 1.492 39.955 39.000 -0.894 0.000 1.438 370 F HN 0.404 nan 8.300 nan 0.000 0.516 371 I N 1.354 121.492 120.570 -0.719 0.000 2.563 371 I HA 0.280 4.452 4.170 0.002 0.000 0.285 371 I C -1.616 174.111 176.117 -0.649 0.000 1.123 371 I CA -0.175 60.765 61.300 -0.599 0.000 1.059 371 I CB 1.433 39.166 38.000 -0.446 0.000 1.229 371 I HN 0.314 nan 8.210 nan 0.000 0.442 372 F N 3.840 123.640 119.950 -0.250 0.000 2.483 372 F HA 0.543 5.071 4.527 0.002 0.000 0.329 372 F C 0.312 176.193 175.800 0.136 0.000 1.064 372 F CA -0.610 57.323 58.000 -0.111 0.000 0.986 372 F CB 1.420 40.202 39.000 -0.363 0.000 1.218 372 F HN 0.344 nan 8.300 nan 0.000 0.484 373 Q N 2.508 122.551 119.800 0.406 0.000 2.325 373 Q HA 0.427 4.769 4.340 0.002 0.000 0.270 373 Q C -1.479 174.652 176.000 0.219 0.000 1.020 373 Q CA -1.162 54.710 55.803 0.115 0.000 0.785 373 Q CB 1.829 30.481 28.738 -0.143 0.000 1.259 373 Q HN 0.713 nan 8.270 nan 0.000 0.452 374 L N 3.893 125.222 121.223 0.176 0.000 2.499 374 L HA 0.186 4.527 4.340 0.002 0.000 0.273 374 L C -1.178 175.561 176.870 -0.218 0.000 1.195 374 L CA 0.712 55.462 54.840 -0.151 0.000 0.882 374 L CB 0.381 42.324 42.059 -0.194 0.000 1.133 374 L HN 0.854 nan 8.230 nan 0.000 0.483 375 C N 2.551 121.683 119.300 -0.281 0.000 3.044 375 C HA 0.898 5.360 4.460 0.002 0.000 0.315 375 C C 0.029 174.862 174.990 -0.261 0.000 1.320 375 C CA -0.487 58.396 59.018 -0.224 0.000 1.582 375 C CB 1.813 29.448 27.740 -0.174 0.000 2.039 375 C HN 0.944 nan 8.230 nan 0.000 0.466 376 S N 0.027 115.615 115.700 -0.186 0.000 2.627 376 S HA 0.889 5.360 4.470 0.002 0.000 0.283 376 S C -1.414 173.151 174.600 -0.059 0.000 1.127 376 S CA -0.550 57.551 58.200 -0.165 0.000 0.863 376 S CB 1.121 64.228 63.200 -0.155 0.000 1.121 376 S HN 0.646 nan 8.310 nan 0.000 0.479 377 I N 1.996 122.546 120.570 -0.033 0.000 2.560 377 I HA 0.236 4.408 4.170 0.002 0.000 0.283 377 I C -0.315 175.829 176.117 0.044 0.000 1.115 377 I CA -0.560 60.779 61.300 0.065 0.000 1.066 377 I CB 2.326 40.438 38.000 0.187 0.000 1.221 377 I HN 0.887 nan 8.210 nan 0.000 0.450 378 T N 4.283 118.880 114.554 0.070 0.000 2.799 378 T HA 0.375 4.726 4.350 0.002 0.000 0.296 378 T C 0.209 174.953 174.700 0.073 0.000 0.947 378 T CA -0.454 61.677 62.100 0.052 0.000 1.141 378 T CB 0.511 69.408 68.868 0.049 0.000 0.891 378 T HN 0.392 nan 8.240 nan 0.000 0.533 379 L N 4.266 125.519 121.223 0.050 0.000 2.376 379 L HA 0.173 4.515 4.340 0.002 0.000 0.250 379 L C 1.353 178.260 176.870 0.062 0.000 1.335 379 L CA -0.631 54.257 54.840 0.080 0.000 1.214 379 L CB -1.011 41.092 42.059 0.072 0.000 1.395 379 L HN 0.879 nan 8.230 nan 0.000 0.424 380 S N 0.113 115.851 115.700 0.064 0.000 2.624 380 S HA 0.395 4.866 4.470 0.002 0.000 0.263 380 S C 1.469 176.094 174.600 0.041 0.000 1.287 380 S CA -0.171 58.055 58.200 0.043 0.000 0.990 380 S CB 1.700 64.924 63.200 0.040 0.000 0.950 380 S HN 0.435 nan 8.310 nan 0.000 0.561 381 A N 1.358 124.194 122.820 0.026 0.000 1.873 381 A HA -0.210 4.111 4.320 0.002 0.000 0.218 381 A C 2.220 179.817 177.584 0.023 0.000 1.193 381 A CA 1.991 54.039 52.037 0.019 0.000 0.629 381 A CB -1.471 17.535 19.000 0.009 0.000 0.826 381 A HN 1.037 nan 8.150 nan 0.000 0.447 382 E N -0.347 119.865 120.200 0.021 0.000 2.077 382 E HA -0.125 4.226 4.350 0.002 0.000 0.193 382 E C 1.775 178.392 176.600 0.028 0.000 0.989 382 E CA 1.519 57.931 56.400 0.019 0.000 0.800 382 E CB -0.674 29.029 29.700 0.006 0.000 0.746 382 E HN 0.296 nan 8.360 nan 0.000 0.452 383 V N 1.160 121.093 119.914 0.032 0.000 2.343 383 V HA -0.281 3.840 4.120 0.002 0.000 0.247 383 V C 2.525 178.671 176.094 0.088 0.000 1.051 383 V CA 2.067 64.391 62.300 0.040 0.000 1.036 383 V CB -0.510 31.375 31.823 0.105 0.000 0.654 383 V HN 0.237 nan 8.190 nan 0.000 0.451 384 M N 0.306 119.960 119.600 0.090 0.000 2.108 384 M HA -0.155 4.326 4.480 0.002 0.000 0.261 384 M C 2.052 178.396 176.300 0.073 0.000 1.066 384 M CA 2.190 57.547 55.300 0.094 0.000 1.107 384 M CB -0.641 31.999 32.600 0.066 0.000 1.356 384 M HN 0.322 nan 8.290 nan 0.000 0.406 385 A N -1.092 121.761 122.820 0.056 0.000 1.835 385 A HA -0.238 4.084 4.320 0.002 0.000 0.215 385 A C 2.089 179.721 177.584 0.079 0.000 1.199 385 A CA 1.908 53.976 52.037 0.051 0.000 0.615 385 A CB -1.612 17.411 19.000 0.039 0.000 0.838 385 A HN 0.648 nan 8.150 nan 0.000 0.444 386 Y N 0.701 120.965 120.300 -0.060 0.000 2.096 386 Y HA -0.295 4.256 4.550 0.002 0.000 0.278 386 Y C 2.071 177.892 175.900 -0.131 0.000 1.192 386 Y CA 2.167 60.207 58.100 -0.100 0.000 1.143 386 Y CB -0.310 38.023 38.460 -0.212 0.000 0.963 386 Y HN 0.305 nan 8.280 nan 0.000 0.505 387 I N -0.833 119.695 120.570 -0.070 0.000 2.252 387 I HA -0.346 3.826 4.170 0.002 0.000 0.245 387 I C 2.601 178.544 176.117 -0.289 0.000 1.102 387 I CA 1.727 62.876 61.300 -0.252 0.000 1.385 387 I CB -0.781 37.136 38.000 -0.138 0.000 1.064 387 I HN 0.401 nan 8.210 nan 0.000 0.414 388 H N 0.976 119.919 119.070 -0.211 0.000 2.422 388 H HA -0.149 4.409 4.556 0.002 0.000 0.298 388 H C 1.977 177.179 175.328 -0.209 0.000 1.098 388 H CA 1.967 57.900 56.048 -0.191 0.000 1.315 388 H CB 0.185 29.880 29.762 -0.112 0.000 1.382 388 H HN 0.245 nan 8.280 nan 0.000 0.523 389 T N 0.740 115.197 114.554 -0.162 0.000 2.937 389 T HA -0.055 4.297 4.350 0.002 0.000 0.260 389 T C 2.169 176.690 174.700 -0.298 0.000 1.051 389 T CA 0.943 62.939 62.100 -0.174 0.000 1.141 389 T CB 0.012 68.834 68.868 -0.077 0.000 0.879 389 T HN 0.329 nan 8.240 nan 0.000 0.459 390 M N 1.117 120.416 119.600 -0.502 0.000 2.062 390 M HA 0.026 4.507 4.480 0.002 0.000 0.259 390 M C 0.639 176.502 176.300 -0.728 0.000 1.076 390 M CA 1.566 56.342 55.300 -0.874 0.000 1.122 390 M CB 0.192 32.065 32.600 -1.211 0.000 1.312 390 M HN 0.068 nan 8.290 nan 0.000 0.412 391 N N -0.117 118.189 118.700 -0.657 0.000 2.707 391 N HA 0.224 4.965 4.740 0.002 0.000 0.249 391 N C -2.329 172.880 175.510 -0.502 0.000 1.299 391 N CA -1.308 51.413 53.050 -0.548 0.000 0.769 391 N CB 1.365 39.495 38.487 -0.596 0.000 1.236 391 N HN 0.055 nan 8.380 nan 0.000 0.524 392 P HA -0.181 nan 4.420 nan 0.000 0.218 392 P C 1.036 178.134 177.300 -0.336 0.000 1.146 392 P CA 1.211 64.031 63.100 -0.465 0.000 0.820 392 P CB 0.425 31.796 31.700 -0.547 0.000 0.778 393 S N 0.274 115.780 115.700 -0.324 0.000 2.353 393 S HA -0.122 4.349 4.470 0.002 0.000 0.222 393 S C 2.184 176.574 174.600 -0.350 0.000 1.035 393 S CA 1.593 59.627 58.200 -0.278 0.000 1.025 393 S CB -1.432 61.620 63.200 -0.247 0.000 0.902 393 S HN 0.007 nan 8.310 nan 0.000 0.440 394 V N 2.156 121.786 119.914 -0.474 0.000 2.313 394 V HA -0.249 3.872 4.120 0.002 0.000 0.253 394 V C 2.171 177.744 176.094 -0.868 0.000 1.070 394 V CA 1.818 63.688 62.300 -0.717 0.000 1.057 394 V CB -0.812 30.485 31.823 -0.877 0.000 0.653 394 V HN 0.402 nan 8.190 nan 0.000 0.450 395 L N -0.641 120.268 121.223 -0.523 0.000 2.068 395 L HA -0.104 4.237 4.340 0.002 0.000 0.204 395 L C 2.585 179.400 176.870 -0.093 0.000 1.076 395 L CA 1.410 56.113 54.840 -0.228 0.000 0.753 395 L CB -0.642 41.384 42.059 -0.055 0.000 0.910 395 L HN 0.331 nan 8.230 nan 0.000 0.439 396 E N 0.120 120.250 120.200 -0.116 0.000 2.273 396 E HA -0.242 4.109 4.350 0.002 0.000 0.198 396 E C 1.318 177.889 176.600 -0.047 0.000 1.002 396 E CA 1.173 57.538 56.400 -0.060 0.000 0.828 396 E CB -0.072 29.580 29.700 -0.080 0.000 0.747 396 E HN 0.514 nan 8.360 nan 0.000 0.491 397 D N -0.435 119.900 120.400 -0.107 0.000 2.201 397 D HA -0.072 4.570 4.640 0.002 0.000 0.209 397 D C 0.293 176.658 176.300 0.108 0.000 0.961 397 D CA 0.372 54.341 54.000 -0.051 0.000 0.861 397 D CB -0.100 40.617 40.800 -0.139 0.000 0.997 397 D HN 0.170 nan 8.370 nan 0.000 0.486 398 W N 3.204 124.501 121.300 -0.004 0.000 1.929 398 W HA 0.166 4.827 4.660 0.002 0.000 0.513 398 W C -0.009 176.513 176.519 0.004 0.000 0.800 398 W CA -0.124 57.226 57.345 0.008 0.000 2.023 398 W CB -1.739 27.736 29.460 0.026 0.000 1.670 398 W HN -0.074 nan 8.180 nan 0.000 0.257 434 Q N 0.270 120.061 119.800 -0.015 0.000 2.204 434 Q HA 0.482 4.823 4.340 0.002 0.000 0.254 434 Q C -1.198 174.798 176.000 -0.007 0.000 0.981 434 Q CA -0.472 55.326 55.803 -0.009 0.000 0.897 434 Q CB 1.629 30.356 28.738 -0.018 0.000 1.273 434 Q HN 0.589 nan 8.270 nan 0.000 0.464 435 D N 1.956 122.363 120.400 0.011 0.000 2.295 435 D HA 0.216 4.857 4.640 0.002 0.000 0.248 435 D C -1.681 174.608 176.300 -0.018 0.000 1.154 435 D CA -1.850 52.169 54.000 0.032 0.000 0.857 435 D CB 1.310 42.158 40.800 0.081 0.000 1.117 435 D HN 0.400 nan 8.370 nan 0.000 0.468 436 P HA -0.106 nan 4.420 nan 0.000 0.231 436 P C -0.160 176.865 177.300 -0.459 0.000 1.158 436 P CA 0.808 63.711 63.100 -0.329 0.000 0.763 436 P CB 0.072 31.488 31.700 -0.474 0.000 0.805 437 Y N -1.022 119.330 120.300 0.087 0.000 2.720 437 Y HA 0.261 4.812 4.550 0.002 0.000 0.264 437 Y C 1.874 177.847 175.900 0.122 0.000 0.989 437 Y CA -0.707 57.474 58.100 0.136 0.000 1.100 437 Y CB 0.643 39.262 38.460 0.264 0.000 1.196 437 Y HN -0.230 nan 8.280 nan 0.000 0.631 438 K N 0.669 121.170 120.400 0.168 0.000 2.097 438 K HA -0.150 4.171 4.320 0.002 0.000 0.205 438 K C 0.720 177.362 176.600 0.070 0.000 1.050 438 K CA 1.963 58.314 56.287 0.107 0.000 0.938 438 K CB 0.164 32.698 32.500 0.056 0.000 0.718 438 K HN 0.442 nan 8.250 nan 0.000 0.442 439 D N 1.045 121.480 120.400 0.058 0.000 2.144 439 D HA -0.097 4.544 4.640 0.002 0.000 0.200 439 D C 1.094 177.368 176.300 -0.043 0.000 0.978 439 D CA 0.770 54.776 54.000 0.010 0.000 0.833 439 D CB -0.045 40.763 40.800 0.014 0.000 0.961 439 D HN 0.307 nan 8.370 nan 0.000 0.470 440 M N 0.974 120.544 119.600 -0.050 0.000 2.232 440 M HA 0.091 4.572 4.480 0.002 0.000 0.321 440 M C 0.467 176.489 176.300 -0.463 0.000 1.101 440 M CA 0.200 55.327 55.300 -0.290 0.000 1.181 440 M CB 0.486 32.867 32.600 -0.364 0.000 1.432 440 M HN -0.198 nan 8.290 nan 0.000 0.457 441 S N 1.230 116.524 115.700 -0.676 0.000 2.552 441 S HA 0.793 5.264 4.470 0.002 0.000 0.314 441 S C -1.068 173.120 174.600 -0.686 0.000 1.099 441 S CA -0.822 57.069 58.200 -0.515 0.000 1.070 441 S CB 0.486 63.525 63.200 -0.268 0.000 0.998 441 S HN 0.532 nan 8.310 nan 0.000 0.474 442 F N 0.754 120.678 119.950 -0.043 0.000 2.593 442 F HA 0.526 5.054 4.527 0.002 0.000 0.320 442 F C -0.252 175.576 175.800 0.047 0.000 1.060 442 F CA -1.270 56.713 58.000 -0.030 0.000 0.940 442 F CB 0.991 39.965 39.000 -0.043 0.000 1.268 442 F HN 0.651 nan 8.300 nan 0.000 0.475 443 W N 4.045 125.370 121.300 0.041 0.000 2.497 443 W HA 0.211 4.872 4.660 0.002 0.000 0.354 443 W C -0.292 176.300 176.519 0.122 0.000 1.111 443 W CA -0.611 56.745 57.345 0.018 0.000 1.510 443 W CB -0.050 29.327 29.460 -0.139 0.000 1.466 443 W HN 0.475 nan 8.180 nan 0.000 0.409 444 E N 3.795 124.255 120.200 0.433 0.000 2.415 444 E HA 0.042 4.393 4.350 0.002 0.000 0.260 444 E C -0.555 176.265 176.600 0.368 0.000 1.016 444 E CA 0.222 56.807 56.400 0.309 0.000 0.924 444 E CB 1.495 31.308 29.700 0.190 0.000 0.961 444 E HN 0.132 nan 8.360 nan 0.000 0.459 445 V N 4.718 124.769 119.914 0.229 0.000 2.325 445 V HA 0.090 4.211 4.120 0.002 0.000 0.280 445 V C 0.066 176.205 176.094 0.075 0.000 1.016 445 V CA -0.952 61.442 62.300 0.155 0.000 0.818 445 V CB 1.357 33.223 31.823 0.071 0.000 1.019 445 V HN 0.458 nan 8.190 nan 0.000 0.434 446 N N 4.829 123.577 118.700 0.081 0.000 2.422 446 N HA 0.360 5.101 4.740 0.002 0.000 0.264 446 N C 0.131 175.656 175.510 0.025 0.000 1.063 446 N CA -0.147 52.927 53.050 0.040 0.000 0.959 446 N CB 1.123 39.641 38.487 0.052 0.000 1.087 446 N HN 0.629 nan 8.380 nan 0.000 0.483 447 L N 3.176 124.387 121.223 -0.020 0.000 2.910 447 L HA 0.220 4.561 4.340 0.002 0.000 0.252 447 L C 1.605 178.450 176.870 -0.042 0.000 1.195 447 L CA -0.120 54.726 54.840 0.009 0.000 1.003 447 L CB 0.131 42.203 42.059 0.023 0.000 1.328 447 L HN 0.525 nan 8.230 nan 0.000 0.540 448 K N 0.900 121.241 120.400 -0.098 0.000 1.991 448 K HA -0.206 4.116 4.320 0.002 0.000 0.212 448 K C 1.100 177.664 176.600 -0.059 0.000 1.049 448 K CA 1.587 57.777 56.287 -0.161 0.000 0.932 448 K CB 0.047 32.495 32.500 -0.086 0.000 0.717 448 K HN 0.093 nan 8.250 nan 0.000 0.441 449 E N 0.320 120.542 120.200 0.037 0.000 2.359 449 E HA -0.001 4.350 4.350 0.002 0.000 0.187 449 E C 0.446 177.136 176.600 0.150 0.000 1.081 449 E CA 0.200 56.661 56.400 0.102 0.000 0.929 449 E CB 0.402 30.158 29.700 0.093 0.000 1.086 449 E HN 0.045 nan 8.360 nan 0.000 0.462 450 K N -0.447 120.057 120.400 0.174 0.000 2.358 450 K HA 0.143 4.464 4.320 0.002 0.000 0.200 450 K C -0.225 176.543 176.600 0.280 0.000 1.030 450 K CA -0.079 56.334 56.287 0.211 0.000 1.097 450 K CB 0.365 32.960 32.500 0.158 0.000 0.862 450 K HN 0.052 nan 8.250 nan 0.000 0.534 451 F N 1.114 121.060 119.950 -0.007 0.000 2.406 451 F HA 0.245 4.773 4.527 0.002 0.000 0.327 451 F C 0.920 176.862 175.800 0.237 0.000 1.153 451 F CA -0.439 57.570 58.000 0.014 0.000 1.218 451 F CB 1.007 39.878 39.000 -0.215 0.000 1.215 451 F HN -0.267 nan 8.300 nan 0.000 0.570 452 S N -0.293 115.667 115.700 0.433 0.000 2.548 452 S HA 0.324 4.795 4.470 0.002 0.000 0.278 452 S C -0.099 174.688 174.600 0.311 0.000 1.150 452 S CA -0.207 58.246 58.200 0.422 0.000 0.907 452 S CB 0.951 64.330 63.200 0.298 0.000 1.108 452 S HN 0.667 nan 8.310 nan 0.000 0.459 453 S N 2.169 117.960 115.700 0.151 0.000 2.605 453 S HA 0.278 4.749 4.470 0.002 0.000 0.217 453 S C 0.177 174.806 174.600 0.049 0.000 0.958 453 S CA -0.061 58.046 58.200 -0.155 0.000 0.919 453 S CB -0.101 62.866 63.200 -0.388 0.000 0.780 453 S HN 0.579 nan 8.310 nan 0.000 0.507 454 E N 1.878 122.191 120.200 0.187 0.000 2.232 454 E HA 0.388 4.739 4.350 0.002 0.000 0.296 454 E C 1.012 177.794 176.600 0.302 0.000 1.372 454 E CA -0.276 56.252 56.400 0.213 0.000 1.527 454 E CB -0.594 29.237 29.700 0.217 0.000 1.424 454 E HN 0.470 nan 8.360 nan 0.000 0.485 455 L N 0.749 122.117 121.223 0.241 0.000 2.010 455 L HA -0.308 4.034 4.340 0.002 0.000 0.219 455 L C 1.906 178.929 176.870 0.254 0.000 1.077 455 L CA 1.897 56.903 54.840 0.276 0.000 0.773 455 L CB -0.658 41.550 42.059 0.249 0.000 0.892 455 L HN 0.440 nan 8.230 nan 0.000 0.436 456 D N -0.590 119.895 120.400 0.141 0.000 2.403 456 D HA -0.194 4.447 4.640 0.002 0.000 0.227 456 D C 1.570 177.853 176.300 -0.028 0.000 0.995 456 D CA 0.733 54.768 54.000 0.059 0.000 0.928 456 D CB -0.106 40.710 40.800 0.026 0.000 0.887 456 D HN 0.436 nan 8.370 nan 0.000 0.529 457 Q N -0.606 119.144 119.800 -0.083 0.000 2.319 457 Q HA 0.175 4.516 4.340 0.002 0.000 0.202 457 Q C -0.485 174.979 176.000 -0.894 0.000 0.896 457 Q CA 0.135 55.656 55.803 -0.471 0.000 0.942 457 Q CB 0.334 28.695 28.738 -0.629 0.000 1.083 457 Q HN 0.317 nan 8.270 nan 0.000 0.510 458 F N 0.264 120.105 119.950 -0.182 0.000 2.576 458 F HA 0.325 4.853 4.527 0.002 0.000 0.313 458 F C -1.495 174.235 175.800 -0.117 0.000 1.078 458 F CA -2.447 55.390 58.000 -0.272 0.000 0.921 458 F CB 1.330 39.833 39.000 -0.827 0.000 1.232 458 F HN -0.256 nan 8.300 nan 0.000 0.459 459 P HA -0.222 nan 4.420 nan 0.000 0.215 459 P C 1.806 179.185 177.300 0.132 0.000 1.163 459 P CA 1.652 64.800 63.100 0.081 0.000 0.894 459 P CB 0.665 32.396 31.700 0.052 0.000 0.791 460 L N -0.796 120.535 121.223 0.179 0.000 2.093 460 L HA -0.071 4.270 4.340 0.002 0.000 0.208 460 L C 2.680 179.745 176.870 0.326 0.000 1.085 460 L CA 1.911 56.870 54.840 0.199 0.000 0.755 460 L CB -1.246 40.880 42.059 0.112 0.000 0.904 460 L HN 0.055 nan 8.230 nan 0.000 0.435 461 G N -0.494 108.506 108.800 0.333 0.000 2.433 461 G HA2 -0.283 3.678 3.960 0.002 0.000 0.216 461 G HA3 -0.283 3.678 3.960 0.002 0.000 0.216 461 G C 1.647 176.712 174.900 0.276 0.000 1.186 461 G CA 0.551 45.848 45.100 0.328 0.000 0.779 461 G HN 0.281 nan 8.290 nan 0.000 0.543 462 R N 0.324 120.933 120.500 0.182 0.000 2.083 462 R HA -0.050 4.291 4.340 0.002 0.000 0.237 462 R C 2.721 179.085 176.300 0.108 0.000 1.137 462 R CA 1.658 57.821 56.100 0.104 0.000 0.951 462 R CB -0.244 30.091 30.300 0.059 0.000 0.851 462 R HN 0.291 nan 8.270 nan 0.000 0.434 463 K N -0.421 120.083 120.400 0.174 0.000 2.103 463 K HA -0.196 4.125 4.320 0.002 0.000 0.207 463 K C 1.876 178.611 176.600 0.226 0.000 1.048 463 K CA 1.490 57.907 56.287 0.218 0.000 0.930 463 K CB -0.281 32.404 32.500 0.308 0.000 0.716 463 K HN 0.085 nan 8.250 nan 0.000 0.444 464 F N 2.021 122.033 119.950 0.103 0.000 2.014 464 F HA -0.195 4.333 4.527 0.002 0.000 0.295 464 F C 1.818 177.417 175.800 -0.335 0.000 1.145 464 F CA 1.377 59.214 58.000 -0.273 0.000 1.178 464 F CB -0.685 38.242 39.000 -0.123 0.000 0.972 464 F HN -0.139 nan 8.300 nan 0.000 0.476 465 L N -0.193 120.800 121.223 -0.384 0.000 2.010 465 L HA -0.295 4.046 4.340 0.002 0.000 0.219 465 L C 2.536 179.161 176.870 -0.408 0.000 1.077 465 L CA 1.604 56.169 54.840 -0.457 0.000 0.773 465 L CB -1.204 40.760 42.059 -0.158 0.000 0.892 465 L HN 0.337 nan 8.230 nan 0.000 0.436 466 L N -0.316 120.758 121.223 -0.248 0.000 1.944 466 L HA -0.305 4.036 4.340 0.002 0.000 0.218 466 L C 2.792 179.483 176.870 -0.298 0.000 1.075 466 L CA 1.999 56.713 54.840 -0.209 0.000 0.767 466 L CB -0.808 41.189 42.059 -0.104 0.000 0.890 466 L HN 0.327 nan 8.230 nan 0.000 0.434 467 Q N -0.331 119.272 119.800 -0.328 0.000 2.112 467 Q HA -0.229 4.113 4.340 0.002 0.000 0.206 467 Q C 2.012 177.701 176.000 -0.518 0.000 0.987 467 Q CA 2.350 57.907 55.803 -0.409 0.000 0.858 467 Q CB -0.407 27.980 28.738 -0.585 0.000 0.905 467 Q HN 0.744 nan 8.270 nan 0.000 0.420 468 S N -1.213 114.057 115.700 -0.717 0.000 2.727 468 S HA 0.139 4.611 4.470 0.002 0.000 0.226 468 S C 1.443 175.770 174.600 -0.455 0.000 0.963 468 S CA 0.851 58.665 58.200 -0.643 0.000 0.950 468 S CB -0.297 62.284 63.200 -1.030 0.000 0.779 468 S HN 0.646 nan 8.310 nan 0.000 0.532 469 G N 0.785 109.290 108.800 -0.491 0.000 3.019 469 G HA2 -0.373 3.588 3.960 0.002 0.000 0.231 469 G HA3 -0.373 3.588 3.960 0.002 0.000 0.231 469 G C 0.084 174.597 174.900 -0.644 0.000 1.225 469 G CA 1.156 45.880 45.100 -0.626 0.000 0.845 469 G HN 0.692 nan 8.290 nan 0.000 0.527 470 Y N 0.000 120.154 120.300 -0.244 0.000 2.660 470 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 470 Y CA 0.000 57.987 58.100 -0.188 0.000 1.940 470 Y CB 0.000 38.377 38.460 -0.138 0.000 1.050 470 Y HN 0.000 nan 8.280 nan 0.000 0.758