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 1yzr_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVcPDGTRVS HAAccAFIPL AQDLQETIFQ NEcGEDAHEV IRLTFHDAIA DATA SEQUENCE ISRSQGPKAG GGADGSMLLF PTVEPNFSAN NGIDDSVNNL IPFMQKHNTI DATA SEQUENCE SAADLVQFAG AVALSNcPGA PRLEFLAGRP NKTIAAVDGL IPEPQDSVTK DATA SEQUENCE ILQRFEDAGG FTPFEVVSLL ASHSVARADK VDQTIDAAPF DSTPFTFDTQ DATA SEQUENCE VFLEVLLKGV GFPGSANNTG EVASPLPLGS GSDTGEMRLQ SDFALAHDPR DATA SEQUENCE TAcIWQGFVN EQAFMAASFR AAMSKLAVLG HNRNSLIDcS DVVPVPKPAT DATA SEQUENCE GQPAMFPAST GPQDLELScP SERFPTLTTQ PGASQSLIAH cPDGSMScPG DATA SEQUENCE VQFNGPA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 52.051 52.037 0.024 0.000 0.836 1 A CB 0.000 19.027 19.000 0.045 0.000 0.831 2 V N 1.059 120.988 119.914 0.025 0.000 2.350 2 V HA 0.363 4.483 4.120 0.001 0.000 0.285 2 V C 0.215 176.327 176.094 0.030 0.000 1.014 2 V CA -0.627 61.688 62.300 0.025 0.000 0.831 2 V CB 0.769 32.603 31.823 0.019 0.000 1.000 2 V HN 1.068 nan 8.190 nan 0.000 0.433 3 c N 6.739 125.361 118.600 0.036 0.000 2.656 3 c HA 0.204 4.775 4.570 0.001 0.000 0.391 3 c C -0.291 173.817 174.090 0.030 0.000 1.300 3 c CA -0.753 55.599 56.329 0.038 0.000 2.302 3 c CB 0.483 43.022 42.510 0.049 0.000 2.655 3 c HN 0.689 nan 8.230 nan 0.000 0.656 4 P HA -0.182 nan 4.420 nan 0.000 0.217 4 P C 1.076 178.389 177.300 0.022 0.000 1.151 4 P CA 1.761 64.874 63.100 0.021 0.000 0.849 4 P CB -0.085 31.626 31.700 0.018 0.000 0.787 5 D N -1.978 118.439 120.400 0.028 0.000 2.363 5 D HA 0.008 4.649 4.640 0.001 0.000 0.226 5 D C 1.442 177.758 176.300 0.027 0.000 1.020 5 D CA 1.015 55.032 54.000 0.028 0.000 0.892 5 D CB -0.689 40.133 40.800 0.036 0.000 0.900 5 D HN 0.274 nan 8.370 nan 0.000 0.531 6 G N -0.386 108.430 108.800 0.026 0.000 2.194 6 G HA2 -0.241 3.720 3.960 0.001 0.000 0.236 6 G HA3 -0.241 3.720 3.960 0.001 0.000 0.236 6 G C 0.395 175.311 174.900 0.027 0.000 0.987 6 G CA 0.213 45.327 45.100 0.024 0.000 0.635 6 G HN 0.446 nan 8.290 nan 0.000 0.520 7 T N 1.400 115.974 114.554 0.034 0.000 2.888 7 T HA 0.401 4.751 4.350 0.001 0.000 0.301 7 T C 0.605 175.326 174.700 0.035 0.000 1.001 7 T CA 0.164 62.286 62.100 0.037 0.000 1.147 7 T CB 1.303 70.201 68.868 0.049 0.000 0.931 7 T HN 0.530 nan 8.240 nan 0.000 0.541 8 R N 2.874 123.392 120.500 0.029 0.000 2.234 8 R HA 0.478 4.819 4.340 0.001 0.000 0.324 8 R C -0.239 176.077 176.300 0.027 0.000 1.054 8 R CA -0.469 55.645 56.100 0.023 0.000 0.912 8 R CB 0.181 30.490 30.300 0.014 0.000 1.030 8 R HN 0.571 nan 8.270 nan 0.000 0.455 9 V N 1.186 121.118 119.914 0.030 0.000 3.155 9 V HA 0.428 4.548 4.120 0.001 0.000 0.313 9 V C 1.032 177.127 176.094 0.001 0.000 1.162 9 V CA -0.093 62.228 62.300 0.035 0.000 1.048 9 V CB 1.766 33.632 31.823 0.072 0.000 1.092 9 V HN 0.898 nan 8.190 nan 0.000 0.447 10 S N -0.217 115.471 115.700 -0.020 0.000 2.356 10 S HA -0.044 4.426 4.470 0.001 0.000 0.223 10 S C 0.695 175.144 174.600 -0.252 0.000 1.032 10 S CA 1.210 59.306 58.200 -0.174 0.000 1.005 10 S CB -0.778 62.319 63.200 -0.172 0.000 0.867 10 S HN 0.938 nan 8.310 nan 0.000 0.449 11 H N -1.100 117.986 119.070 0.027 0.000 2.894 11 H HA 0.582 5.138 4.556 0.000 0.000 0.367 11 H C 0.902 176.255 175.328 0.042 0.000 1.144 11 H CA -0.301 55.764 56.048 0.027 0.000 1.180 11 H CB 1.896 31.669 29.762 0.019 0.000 1.758 11 H HN 0.258 nan 8.280 nan 0.000 0.541 12 A N 2.207 125.127 122.820 0.166 0.000 1.978 12 A HA -0.148 4.173 4.320 0.001 0.000 0.220 12 A C 2.235 179.883 177.584 0.107 0.000 1.170 12 A CA 1.905 54.006 52.037 0.106 0.000 0.636 12 A CB -0.621 18.424 19.000 0.074 0.000 0.810 12 A HN 0.768 nan 8.150 nan 0.000 0.448 13 A N -1.408 121.478 122.820 0.110 0.000 2.125 13 A HA -0.093 4.228 4.320 0.001 0.000 0.219 13 A C 1.967 179.668 177.584 0.196 0.000 1.156 13 A CA 1.487 53.586 52.037 0.104 0.000 0.671 13 A CB -1.008 18.021 19.000 0.048 0.000 0.794 13 A HN 0.634 nan 8.150 nan 0.000 0.459 14 c N -2.165 116.562 118.600 0.211 0.000 2.594 14 c HA 0.026 4.596 4.570 0.001 0.000 0.265 14 c C 2.539 176.799 174.090 0.284 0.000 1.351 14 c CA -0.126 56.385 56.329 0.305 0.000 1.744 14 c CB -1.856 40.772 42.510 0.197 0.000 1.890 14 c HN 0.761 nan 8.230 nan 0.000 0.551 15 c N 1.415 120.112 118.600 0.163 0.000 2.413 15 c HA -0.121 4.449 4.570 0.001 0.000 0.277 15 c C 3.068 177.195 174.090 0.062 0.000 1.265 15 c CA 1.559 57.951 56.329 0.104 0.000 1.752 15 c CB -1.382 41.169 42.510 0.067 0.000 1.998 15 c HN 0.719 nan 8.230 nan 0.000 0.489 16 A N -0.505 122.308 122.820 -0.012 0.000 2.067 16 A HA -0.054 4.266 4.320 0.001 0.000 0.219 16 A C 1.676 179.103 177.584 -0.261 0.000 1.158 16 A CA 1.168 53.120 52.037 -0.142 0.000 0.661 16 A CB -0.687 18.175 19.000 -0.229 0.000 0.801 16 A HN 0.578 nan 8.150 nan 0.000 0.452 17 F N -0.133 119.717 119.950 -0.167 0.000 2.502 17 F HA 0.022 4.549 4.527 0.001 0.000 0.298 17 F C 1.917 177.622 175.800 -0.158 0.000 1.111 17 F CA 0.617 58.371 58.000 -0.409 0.000 1.445 17 F CB -0.355 38.115 39.000 -0.884 0.000 1.081 17 F HN 0.153 nan 8.300 nan 0.000 0.558 18 I N 1.124 121.758 120.570 0.107 0.000 2.113 18 I HA -0.200 3.971 4.170 0.001 0.000 0.238 18 I C -0.276 175.909 176.117 0.113 0.000 1.070 18 I CA 1.207 62.587 61.300 0.134 0.000 1.332 18 I CB -1.842 36.223 38.000 0.109 0.000 1.044 18 I HN -0.026 nan 8.210 nan 0.000 0.402 19 P HA -0.151 nan 4.420 nan 0.000 0.223 19 P C 1.838 179.196 177.300 0.097 0.000 1.151 19 P CA 1.131 64.305 63.100 0.122 0.000 0.787 19 P CB 0.001 31.793 31.700 0.153 0.000 0.788 20 L N 0.345 121.529 121.223 -0.065 0.000 2.056 20 L HA 0.014 4.355 4.340 0.001 0.000 0.207 20 L C 2.478 179.352 176.870 0.006 0.000 1.078 20 L CA 1.908 56.550 54.840 -0.329 0.000 0.749 20 L CB -1.528 40.292 42.059 -0.398 0.000 0.901 20 L HN -0.099 nan 8.230 nan 0.000 0.433 21 A N -0.820 122.146 122.820 0.243 0.000 1.883 21 A HA -0.282 4.039 4.320 0.001 0.000 0.217 21 A C 2.191 179.829 177.584 0.092 0.000 1.186 21 A CA 2.009 54.169 52.037 0.206 0.000 0.624 21 A CB -0.678 18.489 19.000 0.278 0.000 0.822 21 A HN 0.673 nan 8.150 nan 0.000 0.444 22 Q N -1.053 118.809 119.800 0.103 0.000 2.124 22 Q HA -0.200 4.140 4.340 0.001 0.000 0.202 22 Q C 1.759 177.816 176.000 0.094 0.000 0.977 22 Q CA 1.408 57.264 55.803 0.088 0.000 0.850 22 Q CB -0.210 28.583 28.738 0.092 0.000 0.901 22 Q HN 0.665 nan 8.270 nan 0.000 0.429 23 D N 0.584 121.064 120.400 0.133 0.000 2.123 23 D HA -0.082 4.558 4.640 0.001 0.000 0.200 23 D C 1.828 178.256 176.300 0.214 0.000 0.976 23 D CA 0.751 54.894 54.000 0.238 0.000 0.831 23 D CB 0.006 41.063 40.800 0.430 0.000 0.974 23 D HN 0.152 nan 8.370 nan 0.000 0.469 24 L N 0.317 121.525 121.223 -0.025 0.000 2.046 24 L HA -0.187 4.154 4.340 0.001 0.000 0.208 24 L C 2.662 179.335 176.870 -0.329 0.000 1.077 24 L CA 1.003 55.585 54.840 -0.430 0.000 0.747 24 L CB -0.359 41.401 42.059 -0.499 0.000 0.896 24 L HN 0.071 nan 8.230 nan 0.000 0.432 25 Q N -0.071 119.691 119.800 -0.063 0.000 2.046 25 Q HA -0.212 4.128 4.340 0.001 0.000 0.200 25 Q C 2.104 178.114 176.000 0.017 0.000 0.975 25 Q CA 1.497 57.322 55.803 0.038 0.000 0.836 25 Q CB -0.164 28.618 28.738 0.073 0.000 0.896 25 Q HN 0.578 nan 8.270 nan 0.000 0.428 26 E N -0.321 119.900 120.200 0.035 0.000 2.110 26 E HA -0.112 4.239 4.350 0.001 0.000 0.193 26 E C 1.838 178.462 176.600 0.041 0.000 0.988 26 E CA 1.558 57.984 56.400 0.044 0.000 0.804 26 E CB 0.163 29.901 29.700 0.063 0.000 0.745 26 E HN 0.279 nan 8.360 nan 0.000 0.458 27 T N 0.429 115.023 114.554 0.068 0.000 2.953 27 T HA 0.051 4.401 4.350 0.001 0.000 0.247 27 T C 1.990 176.701 174.700 0.019 0.000 1.029 27 T CA 0.965 63.134 62.100 0.115 0.000 1.144 27 T CB 0.129 69.205 68.868 0.346 0.000 0.870 27 T HN 0.261 nan 8.240 nan 0.000 0.446 28 I N -3.189 117.301 120.570 -0.134 0.000 4.312 28 I HA 0.406 4.577 4.170 0.001 0.000 0.324 28 I C 1.403 177.416 176.117 -0.173 0.000 1.298 28 I CA 0.192 61.354 61.300 -0.230 0.000 1.231 28 I CB 0.006 37.807 38.000 -0.331 0.000 1.152 28 I HN 0.097 nan 8.210 nan 0.000 0.421 29 F N 1.165 121.084 119.950 -0.050 0.000 2.559 29 F HA 0.234 4.761 4.527 0.001 0.000 0.286 29 F C 0.645 176.398 175.800 -0.079 0.000 1.108 29 F CA -0.426 57.525 58.000 -0.082 0.000 1.436 29 F CB 0.163 39.106 39.000 -0.095 0.000 1.130 29 F HN -0.033 nan 8.300 nan 0.000 0.584 30 Q N 1.072 120.930 119.800 0.096 0.000 2.435 30 Q HA -0.306 4.035 4.340 0.001 0.000 0.286 30 Q C -0.151 175.868 176.000 0.033 0.000 1.229 30 Q CA 0.922 56.749 55.803 0.040 0.000 0.884 30 Q CB -2.427 26.311 28.738 -0.001 0.000 1.245 30 Q HN 0.527 nan 8.270 nan 0.000 0.488 31 N N -1.614 117.126 118.700 0.066 0.000 2.713 31 N HA -0.200 4.540 4.740 0.001 0.000 0.251 31 N C -0.828 174.668 175.510 -0.024 0.000 1.117 31 N CA 1.652 54.715 53.050 0.021 0.000 0.770 31 N CB -0.084 38.405 38.487 0.004 0.000 1.137 31 N HN 0.470 nan 8.380 nan 0.000 0.566 32 E N -0.499 119.680 120.200 -0.035 0.000 2.222 32 E HA 0.278 4.628 4.350 0.001 0.000 0.272 32 E C -0.045 176.480 176.600 -0.124 0.000 0.982 32 E CA -0.525 55.817 56.400 -0.097 0.000 0.842 32 E CB 1.444 31.055 29.700 -0.148 0.000 1.144 32 E HN 0.218 nan 8.360 nan 0.000 0.397 33 c N 3.407 121.944 118.600 -0.106 0.000 2.687 33 c HA 0.492 5.062 4.570 0.001 0.000 0.465 33 c C 0.743 174.753 174.090 -0.133 0.000 1.304 33 c CA -0.234 56.060 56.329 -0.058 0.000 1.620 33 c CB -1.949 40.616 42.510 0.091 0.000 2.212 33 c HN 0.642 nan 8.230 nan 0.000 0.616 34 G N 0.676 109.287 108.800 -0.315 0.000 2.857 34 G HA2 0.317 4.277 3.960 0.001 0.000 0.217 34 G HA3 0.317 4.277 3.960 0.001 0.000 0.217 34 G C 0.598 175.130 174.900 -0.613 0.000 1.357 34 G CA 0.098 44.934 45.100 -0.440 0.000 1.033 34 G HN 0.388 nan 8.290 nan 0.000 0.571 35 E N -0.206 119.789 120.200 -0.342 0.000 2.070 35 E HA -0.168 4.182 4.350 0.001 0.000 0.197 35 E C 1.759 178.308 176.600 -0.087 0.000 1.004 35 E CA 2.256 58.545 56.400 -0.184 0.000 0.805 35 E CB -0.181 29.468 29.700 -0.084 0.000 0.744 35 E HN 0.375 nan 8.360 nan 0.000 0.451 36 D N -0.545 119.840 120.400 -0.025 0.000 2.183 36 D HA -0.016 4.625 4.640 0.001 0.000 0.203 36 D C 1.743 178.170 176.300 0.211 0.000 0.969 36 D CA 1.325 55.395 54.000 0.117 0.000 0.842 36 D CB -0.482 40.411 40.800 0.155 0.000 0.957 36 D HN 0.322 nan 8.370 nan 0.000 0.484 37 A N 0.502 123.343 122.820 0.034 0.000 1.883 37 A HA -0.238 4.082 4.320 0.001 0.000 0.217 37 A C 1.851 179.406 177.584 -0.048 0.000 1.186 37 A CA 1.616 53.468 52.037 -0.307 0.000 0.624 37 A CB -1.083 17.665 19.000 -0.419 0.000 0.822 37 A HN 0.402 nan 8.150 nan 0.000 0.444 38 H N -0.595 118.453 119.070 -0.037 0.000 2.319 38 H HA -0.120 4.436 4.556 0.000 0.000 0.299 38 H C 2.140 177.478 175.328 0.017 0.000 1.092 38 H CA 1.192 57.231 56.048 -0.014 0.000 1.302 38 H CB 0.025 29.772 29.762 -0.024 0.000 1.373 38 H HN 0.572 nan 8.280 nan 0.000 0.497 39 E N 0.473 120.769 120.200 0.161 0.000 2.110 39 E HA -0.125 4.226 4.350 0.001 0.000 0.193 39 E C 2.437 179.106 176.600 0.116 0.000 0.988 39 E CA 0.959 57.427 56.400 0.114 0.000 0.804 39 E CB -0.007 29.750 29.700 0.096 0.000 0.745 39 E HN 0.264 nan 8.360 nan 0.000 0.458 40 V N 1.455 121.456 119.914 0.144 0.000 2.453 40 V HA -0.206 3.914 4.120 0.001 0.000 0.247 40 V C 2.246 178.413 176.094 0.123 0.000 1.048 40 V CA 1.202 63.592 62.300 0.151 0.000 1.049 40 V CB -0.304 31.667 31.823 0.247 0.000 0.672 40 V HN 0.202 nan 8.190 nan 0.000 0.457 41 I N -0.246 120.385 120.570 0.102 0.000 2.315 41 I HA -0.235 3.935 4.170 0.001 0.000 0.248 41 I C 2.682 178.922 176.117 0.205 0.000 1.117 41 I CA 1.602 62.982 61.300 0.134 0.000 1.404 41 I CB -0.396 37.677 38.000 0.121 0.000 1.071 41 I HN 0.198 nan 8.210 nan 0.000 0.419 42 R N 0.970 121.583 120.500 0.188 0.000 2.096 42 R HA -0.206 4.135 4.340 0.001 0.000 0.235 42 R C 2.365 178.786 176.300 0.202 0.000 1.127 42 R CA 1.413 57.654 56.100 0.235 0.000 0.968 42 R CB -0.265 30.107 30.300 0.120 0.000 0.861 42 R HN 0.235 nan 8.270 nan 0.000 0.440 43 L N 1.149 122.440 121.223 0.113 0.000 2.042 43 L HA -0.182 4.159 4.340 0.001 0.000 0.210 43 L C 2.382 179.360 176.870 0.180 0.000 1.076 43 L CA 2.618 57.522 54.840 0.106 0.000 0.749 43 L CB -0.913 41.202 42.059 0.093 0.000 0.893 43 L HN 0.431 nan 8.230 nan 0.000 0.432 44 T N -2.877 111.800 114.554 0.204 0.000 2.759 44 T HA -0.316 4.034 4.350 0.001 0.000 0.269 44 T C 1.886 176.754 174.700 0.280 0.000 1.042 44 T CA 1.838 64.070 62.100 0.220 0.000 1.140 44 T CB -1.199 67.790 68.868 0.201 0.000 0.864 44 T HN 0.483 nan 8.240 nan 0.000 0.455 45 F N 1.232 121.300 119.950 0.197 0.000 2.187 45 F HA 0.037 4.565 4.527 0.001 0.000 0.295 45 F C 2.604 178.533 175.800 0.214 0.000 1.091 45 F CA 1.157 59.277 58.000 0.200 0.000 1.308 45 F CB -0.123 39.027 39.000 0.249 0.000 1.030 45 F HN 0.223 nan 8.300 nan 0.000 0.487 46 H N -1.069 117.857 119.070 -0.240 0.000 2.423 46 H HA -0.156 4.400 4.556 0.000 0.000 0.297 46 H C 1.526 176.755 175.328 -0.166 0.000 1.075 46 H CA 1.098 56.940 56.048 -0.344 0.000 1.342 46 H CB -0.149 29.535 29.762 -0.130 0.000 1.395 46 H HN 0.337 nan 8.280 nan 0.000 0.530 47 D N 0.911 121.363 120.400 0.086 0.000 2.084 47 D HA -0.107 4.534 4.640 0.001 0.000 0.194 47 D C 2.337 178.668 176.300 0.051 0.000 0.990 47 D CA 1.380 55.429 54.000 0.081 0.000 0.826 47 D CB -0.145 40.730 40.800 0.124 0.000 0.971 47 D HN 0.303 nan 8.370 nan 0.000 0.453 48 A N -0.021 122.840 122.820 0.068 0.000 1.897 48 A HA -0.064 4.256 4.320 0.001 0.000 0.215 48 A C 2.246 179.845 177.584 0.025 0.000 1.181 48 A CA 0.919 53.012 52.037 0.094 0.000 0.620 48 A CB -0.658 18.446 19.000 0.174 0.000 0.821 48 A HN 0.336 nan 8.150 nan 0.000 0.443 49 I N -0.131 120.367 120.570 -0.120 0.000 3.176 49 I HA 0.068 4.238 4.170 0.001 0.000 0.275 49 I C 1.456 177.472 176.117 -0.169 0.000 1.298 49 I CA 0.313 61.499 61.300 -0.189 0.000 1.445 49 I CB -0.238 37.463 38.000 -0.498 0.000 1.075 49 I HN 0.218 nan 8.210 nan 0.000 0.482 50 A N 1.747 124.493 122.820 -0.124 0.000 3.037 50 A HA 0.479 4.799 4.320 0.001 0.000 0.272 50 A C 0.104 177.667 177.584 -0.035 0.000 1.723 50 A CA -0.057 51.935 52.037 -0.075 0.000 1.413 50 A CB -0.868 18.113 19.000 -0.032 0.000 1.112 50 A HN 0.367 nan 8.150 nan 0.000 0.606 51 I N 0.185 120.733 120.570 -0.037 0.000 2.842 51 I HA 0.549 4.719 4.170 0.001 0.000 0.297 51 I C -1.056 175.050 176.117 -0.019 0.000 1.380 51 I CA -0.235 61.052 61.300 -0.021 0.000 1.018 51 I CB 2.181 40.176 38.000 -0.009 0.000 1.311 51 I HN 0.214 nan 8.210 nan 0.000 0.439 52 S N 5.582 121.272 115.700 -0.017 0.000 2.736 52 S HA 0.504 4.975 4.470 0.001 0.000 0.285 52 S C 0.511 175.105 174.600 -0.009 0.000 1.163 52 S CA -0.682 57.511 58.200 -0.012 0.000 1.025 52 S CB 1.648 64.836 63.200 -0.020 0.000 1.030 52 S HN 0.827 nan 8.310 nan 0.000 0.486 53 R N 2.002 122.501 120.500 -0.001 0.000 2.081 53 R HA -0.075 4.265 4.340 0.001 0.000 0.235 53 R C 2.391 178.688 176.300 -0.005 0.000 1.131 53 R CA 2.019 58.117 56.100 -0.004 0.000 0.960 53 R CB -0.307 29.993 30.300 0.001 0.000 0.856 53 R HN 0.791 nan 8.270 nan 0.000 0.436 54 S N 0.324 116.023 115.700 -0.001 0.000 2.414 54 S HA -0.111 4.359 4.470 0.001 0.000 0.227 54 S C 1.809 176.405 174.600 -0.008 0.000 1.022 54 S CA 0.595 58.794 58.200 -0.002 0.000 0.958 54 S CB 0.009 63.211 63.200 0.002 0.000 0.797 54 S HN 0.328 nan 8.310 nan 0.000 0.493 55 Q N 1.058 120.851 119.800 -0.012 0.000 2.389 55 Q HA 0.378 4.719 4.340 0.001 0.000 0.204 55 Q C 1.032 177.022 176.000 -0.017 0.000 0.944 55 Q CA 0.262 56.055 55.803 -0.016 0.000 0.908 55 Q CB 0.018 28.743 28.738 -0.021 0.000 1.002 55 Q HN 0.744 nan 8.270 nan 0.000 0.493 56 G N 0.848 109.638 108.800 -0.016 0.000 2.712 56 G HA2 -0.180 3.780 3.960 0.001 0.000 0.683 56 G HA3 -0.180 3.780 3.960 0.001 0.000 0.683 56 G C -2.393 172.494 174.900 -0.022 0.000 1.320 56 G CA -0.665 44.425 45.100 -0.018 0.000 0.847 56 G HN -0.062 nan 8.290 nan 0.000 0.553 57 P HA -0.041 nan 4.420 nan 0.000 0.218 57 P C 1.681 178.963 177.300 -0.029 0.000 1.146 57 P CA 1.457 64.540 63.100 -0.028 0.000 0.813 57 P CB 0.016 31.701 31.700 -0.025 0.000 0.778 58 K N -0.605 119.779 120.400 -0.027 0.000 2.442 58 K HA 0.057 4.377 4.320 0.001 0.000 0.198 58 K C 1.913 178.492 176.600 -0.035 0.000 1.042 58 K CA 0.953 57.222 56.287 -0.031 0.000 0.958 58 K CB -0.851 31.633 32.500 -0.026 0.000 0.766 58 K HN 0.046 nan 8.250 nan 0.000 0.474 59 A N -0.035 122.766 122.820 -0.031 0.000 2.072 59 A HA 0.327 4.648 4.320 0.001 0.000 0.216 59 A C 0.842 178.410 177.584 -0.026 0.000 1.156 59 A CA 1.010 53.029 52.037 -0.029 0.000 0.701 59 A CB 0.078 19.061 19.000 -0.029 0.000 0.816 59 A HN 0.270 nan 8.150 nan 0.000 0.458 60 G N -3.526 105.256 108.800 -0.031 0.000 2.376 60 G HA2 0.434 4.394 3.960 0.001 0.000 0.302 60 G HA3 0.434 4.394 3.960 0.001 0.000 0.302 60 G C 0.118 175.000 174.900 -0.029 0.000 1.586 60 G CA -0.013 45.071 45.100 -0.026 0.000 0.907 60 G HN 0.792 nan 8.290 nan 0.000 0.655 61 G N -0.514 108.272 108.800 -0.023 0.000 3.434 61 G HA2 0.618 4.578 3.960 0.001 0.000 0.258 61 G HA3 0.618 4.578 3.960 0.001 0.000 0.258 61 G C 1.299 176.170 174.900 -0.047 0.000 1.128 61 G CA 1.397 46.472 45.100 -0.042 0.000 0.792 61 G HN 2.327 nan 8.290 nan 0.000 0.539 62 G N 0.400 109.194 108.800 -0.010 0.000 2.550 62 G HA2 0.103 4.064 3.960 0.001 0.000 0.277 62 G HA3 0.103 4.064 3.960 0.001 0.000 0.277 62 G C 0.798 175.747 174.900 0.082 0.000 1.190 62 G CA 0.146 45.259 45.100 0.022 0.000 0.971 62 G HN 1.420 nan 8.290 nan 0.000 0.559 63 A N 1.276 124.187 122.820 0.151 0.000 2.981 63 A HA 0.502 4.822 4.320 0.001 0.000 0.280 63 A C 0.946 178.717 177.584 0.311 0.000 1.743 63 A CA 1.329 53.502 52.037 0.226 0.000 1.430 63 A CB -0.597 18.559 19.000 0.259 0.000 1.085 63 A HN 1.255 nan 8.150 nan 0.000 0.597 64 D N 0.050 120.582 120.400 0.221 0.000 2.539 64 D HA 0.211 4.851 4.640 0.001 0.000 0.232 64 D C 0.912 177.324 176.300 0.187 0.000 1.256 64 D CA 0.470 54.605 54.000 0.224 0.000 0.810 64 D CB -0.566 40.325 40.800 0.152 0.000 1.090 64 D HN 0.917 nan 8.370 nan 0.000 0.519 65 G N 1.098 110.001 108.800 0.171 0.000 2.153 65 G HA2 -0.382 3.579 3.960 0.001 0.000 0.252 65 G HA3 -0.382 3.579 3.960 0.001 0.000 0.252 65 G C 1.198 176.193 174.900 0.159 0.000 0.994 65 G CA 1.052 46.244 45.100 0.152 0.000 0.698 65 G HN 0.732 nan 8.290 nan 0.000 0.521 66 S N -0.861 114.948 115.700 0.181 0.000 2.419 66 S HA -0.009 4.462 4.470 0.001 0.000 0.233 66 S C 2.319 177.051 174.600 0.221 0.000 1.016 66 S CA 1.566 59.920 58.200 0.257 0.000 0.974 66 S CB -0.228 63.076 63.200 0.173 0.000 0.786 66 S HN 0.343 nan 8.310 nan 0.000 0.492 67 M N 1.160 120.841 119.600 0.134 0.000 2.229 67 M HA 0.124 4.605 4.480 0.001 0.000 0.264 67 M C 2.089 178.439 176.300 0.084 0.000 1.063 67 M CA 1.084 56.439 55.300 0.092 0.000 1.114 67 M CB -1.102 31.545 32.600 0.078 0.000 1.387 67 M HN 0.404 nan 8.290 nan 0.000 0.420 68 L N -0.936 120.338 121.223 0.085 0.000 2.162 68 L HA -0.072 4.268 4.340 0.001 0.000 0.205 68 L C 2.245 179.111 176.870 -0.006 0.000 1.086 68 L CA 0.586 55.456 54.840 0.051 0.000 0.778 68 L CB -0.556 41.540 42.059 0.061 0.000 0.928 68 L HN 0.236 nan 8.230 nan 0.000 0.446 69 L N -1.133 120.077 121.223 -0.023 0.000 2.240 69 L HA -0.036 4.304 4.340 0.001 0.000 0.211 69 L C 0.274 176.813 176.870 -0.551 0.000 1.106 69 L CA 0.932 55.618 54.840 -0.256 0.000 0.793 69 L CB 0.093 42.014 42.059 -0.229 0.000 0.927 69 L HN 0.130 nan 8.230 nan 0.000 0.446 70 F N -0.330 119.620 119.950 0.001 0.000 2.523 70 F HA 0.295 4.822 4.527 0.000 0.000 0.322 70 F C -1.574 174.204 175.800 -0.037 0.000 1.361 70 F CA -1.655 56.335 58.000 -0.016 0.000 1.151 70 F CB 0.418 39.406 39.000 -0.019 0.000 1.391 70 F HN -0.159 nan 8.300 nan 0.000 0.566 71 P HA -0.122 nan 4.420 nan 0.000 0.226 71 P C 1.302 178.610 177.300 0.013 0.000 1.153 71 P CA 1.308 64.424 63.100 0.027 0.000 0.777 71 P CB -0.025 31.680 31.700 0.008 0.000 0.794 72 T N -4.459 110.112 114.554 0.028 0.000 3.086 72 T HA 0.187 4.538 4.350 0.001 0.000 0.250 72 T C 1.388 176.071 174.700 -0.027 0.000 1.074 72 T CA -0.043 62.061 62.100 0.008 0.000 0.988 72 T CB -0.552 68.332 68.868 0.027 0.000 0.988 72 T HN -0.152 nan 8.240 nan 0.000 0.530 73 V N 1.343 121.220 119.914 -0.061 0.000 2.693 73 V HA 0.148 4.268 4.120 0.001 0.000 0.223 73 V C 2.514 178.249 176.094 -0.598 0.000 1.131 73 V CA 0.691 62.880 62.300 -0.185 0.000 1.177 73 V CB -0.498 31.270 31.823 -0.092 0.000 0.852 73 V HN 0.327 nan 8.190 nan 0.000 0.507 74 E N 0.768 120.567 120.200 -0.668 0.000 2.077 74 E HA -0.169 4.182 4.350 0.001 0.000 0.193 74 E C -0.627 175.605 176.600 -0.612 0.000 0.989 74 E CA 1.680 57.434 56.400 -1.077 0.000 0.800 74 E CB -1.100 28.345 29.700 -0.426 0.000 0.746 74 E HN 0.514 nan 8.360 nan 0.000 0.452 75 P HA -0.119 nan 4.420 nan 0.000 0.223 75 P C 0.149 177.403 177.300 -0.078 0.000 1.144 75 P CA 1.224 64.259 63.100 -0.108 0.000 0.783 75 P CB 0.025 31.695 31.700 -0.049 0.000 0.771 76 N N -2.235 116.380 118.700 -0.141 0.000 2.336 76 N HA 0.044 4.784 4.740 0.001 0.000 0.189 76 N C -0.161 175.422 175.510 0.122 0.000 1.113 76 N CA -0.222 52.819 53.050 -0.016 0.000 0.858 76 N CB -0.129 38.355 38.487 -0.006 0.000 0.970 76 N HN -0.006 nan 8.380 nan 0.000 0.471 77 F N 0.974 120.952 119.950 0.047 0.000 2.506 77 F HA 0.038 4.566 4.527 0.000 0.000 0.351 77 F C 2.013 177.843 175.800 0.050 0.000 1.136 77 F CA -1.349 56.675 58.000 0.040 0.000 1.298 77 F CB 0.479 39.499 39.000 0.032 0.000 1.145 77 F HN 0.019 nan 8.300 nan 0.000 0.593 78 S N 1.099 116.942 115.700 0.238 0.000 2.423 78 S HA -0.129 4.342 4.470 0.001 0.000 0.231 78 S C 1.908 176.604 174.600 0.159 0.000 1.014 78 S CA 0.639 58.931 58.200 0.153 0.000 0.965 78 S CB -0.695 62.565 63.200 0.100 0.000 0.785 78 S HN 0.664 nan 8.310 nan 0.000 0.495 79 A N 2.181 125.106 122.820 0.174 0.000 2.121 79 A HA 0.070 4.390 4.320 0.001 0.000 0.218 79 A C 1.696 179.429 177.584 0.248 0.000 1.154 79 A CA 0.944 53.084 52.037 0.171 0.000 0.679 79 A CB -0.435 18.633 19.000 0.113 0.000 0.795 79 A HN 0.533 nan 8.150 nan 0.000 0.458 80 N N 0.680 119.535 118.700 0.258 0.000 2.276 80 N HA 0.008 4.749 4.740 0.001 0.000 0.212 80 N C -0.199 175.401 175.510 0.149 0.000 1.127 80 N CA -0.115 53.088 53.050 0.254 0.000 0.834 80 N CB -0.243 38.365 38.487 0.201 0.000 1.014 80 N HN 0.354 nan 8.380 nan 0.000 0.491 81 N N 0.839 119.626 118.700 0.145 0.000 2.411 81 N HA 0.070 4.810 4.740 0.001 0.000 0.261 81 N C 1.310 176.866 175.510 0.076 0.000 1.248 81 N CA 1.457 54.568 53.050 0.101 0.000 0.885 81 N CB 0.242 38.791 38.487 0.102 0.000 1.062 81 N HN 0.416 nan 8.380 nan 0.000 0.471 82 G N 3.440 112.271 108.800 0.053 0.000 2.195 82 G HA2 -0.227 3.733 3.960 0.001 0.000 0.246 82 G HA3 -0.227 3.733 3.960 0.001 0.000 0.246 82 G C 0.878 175.788 174.900 0.016 0.000 0.984 82 G CA 0.175 45.297 45.100 0.037 0.000 0.633 82 G HN 0.546 nan 8.290 nan 0.000 0.525 83 I N 2.606 123.177 120.570 0.001 0.000 2.928 83 I HA -0.001 4.169 4.170 0.001 0.000 0.266 83 I C 2.537 178.661 176.117 0.011 0.000 1.234 83 I CA 1.913 63.198 61.300 -0.024 0.000 1.483 83 I CB -0.838 37.138 38.000 -0.039 0.000 1.097 83 I HN 0.481 nan 8.210 nan 0.000 0.455 84 D N 1.028 121.441 120.400 0.022 0.000 2.116 84 D HA -0.259 4.382 4.640 0.001 0.000 0.193 84 D C 1.435 177.763 176.300 0.047 0.000 0.998 84 D CA 1.447 55.466 54.000 0.032 0.000 0.836 84 D CB -0.656 40.163 40.800 0.031 0.000 0.951 84 D HN 0.226 nan 8.370 nan 0.000 0.449 85 D N 0.360 120.788 120.400 0.047 0.000 2.144 85 D HA -0.137 4.503 4.640 0.001 0.000 0.199 85 D C 2.331 178.678 176.300 0.079 0.000 0.984 85 D CA 2.058 56.094 54.000 0.060 0.000 0.834 85 D CB -0.341 40.488 40.800 0.048 0.000 0.955 85 D HN 0.440 nan 8.370 nan 0.000 0.465 86 S N 0.260 116.004 115.700 0.073 0.000 2.368 86 S HA -0.120 4.351 4.470 0.001 0.000 0.225 86 S C 2.302 176.964 174.600 0.102 0.000 1.030 86 S CA 0.911 59.166 58.200 0.092 0.000 0.999 86 S CB -0.751 62.497 63.200 0.080 0.000 0.844 86 S HN 0.083 nan 8.310 nan 0.000 0.459 87 V N 3.484 123.447 119.914 0.082 0.000 2.295 87 V HA -0.182 3.938 4.120 0.001 0.000 0.246 87 V C 2.507 178.662 176.094 0.101 0.000 1.049 87 V CA 2.103 64.453 62.300 0.084 0.000 1.024 87 V CB -1.058 30.800 31.823 0.059 0.000 0.648 87 V HN 0.499 nan 8.190 nan 0.000 0.447 88 N N 0.606 119.368 118.700 0.104 0.000 2.223 88 N HA -0.133 4.607 4.740 0.001 0.000 0.185 88 N C 1.626 177.265 175.510 0.215 0.000 1.016 88 N CA 1.155 54.282 53.050 0.128 0.000 0.863 88 N CB -0.544 38.015 38.487 0.120 0.000 0.983 88 N HN 0.442 nan 8.380 nan 0.000 0.429 89 N N 0.505 119.352 118.700 0.244 0.000 2.331 89 N HA 0.063 4.803 4.740 0.001 0.000 0.180 89 N C 1.609 177.369 175.510 0.417 0.000 1.019 89 N CA 0.352 53.642 53.050 0.400 0.000 0.881 89 N CB -0.018 38.621 38.487 0.254 0.000 0.972 89 N HN 0.273 nan 8.380 nan 0.000 0.435 90 L N -0.169 121.212 121.223 0.264 0.000 2.307 90 L HA 0.157 4.497 4.340 0.001 0.000 0.211 90 L C 1.833 178.863 176.870 0.266 0.000 1.099 90 L CA 0.204 55.209 54.840 0.275 0.000 0.816 90 L CB -0.093 42.050 42.059 0.140 0.000 0.952 90 L HN 0.079 nan 8.230 nan 0.000 0.455 91 I N 0.906 121.565 120.570 0.149 0.000 2.194 91 I HA -0.243 3.928 4.170 0.001 0.000 0.246 91 I C -0.417 175.703 176.117 0.005 0.000 1.093 91 I CA 1.653 62.993 61.300 0.066 0.000 1.355 91 I CB -1.199 36.816 38.000 0.024 0.000 1.046 91 I HN 0.211 nan 8.210 nan 0.000 0.413 92 P HA -0.144 nan 4.420 nan 0.000 0.220 92 P C 1.435 178.565 177.300 -0.285 0.000 1.148 92 P CA 1.475 64.388 63.100 -0.311 0.000 0.803 92 P CB -0.058 31.227 31.700 -0.691 0.000 0.782 93 F N -1.557 118.371 119.950 -0.036 0.000 2.206 93 F HA 0.004 4.531 4.527 0.001 0.000 0.298 93 F C 2.546 178.400 175.800 0.090 0.000 1.090 93 F CA 1.015 59.068 58.000 0.088 0.000 1.323 93 F CB -0.981 38.058 39.000 0.065 0.000 1.028 93 F HN -0.165 nan 8.300 nan 0.000 0.492 94 M N 0.011 119.732 119.600 0.200 0.000 2.149 94 M HA -0.277 4.204 4.480 0.001 0.000 0.261 94 M C 1.895 178.217 176.300 0.038 0.000 1.064 94 M CA 1.895 57.261 55.300 0.110 0.000 1.102 94 M CB -0.160 32.484 32.600 0.074 0.000 1.369 94 M HN 0.220 nan 8.290 nan 0.000 0.408 95 Q N -0.480 119.309 119.800 -0.017 0.000 2.212 95 Q HA -0.134 4.206 4.340 0.001 0.000 0.199 95 Q C 2.009 177.948 176.000 -0.102 0.000 0.950 95 Q CA 1.245 57.008 55.803 -0.068 0.000 0.863 95 Q CB 0.007 28.684 28.738 -0.103 0.000 0.944 95 Q HN 0.538 nan 8.270 nan 0.000 0.465 96 K N 0.299 120.616 120.400 -0.140 0.000 2.021 96 K HA -0.056 4.264 4.320 0.001 0.000 0.205 96 K C 0.580 177.000 176.600 -0.299 0.000 1.047 96 K CA 0.669 56.806 56.287 -0.250 0.000 0.943 96 K CB 0.257 32.543 32.500 -0.357 0.000 0.725 96 K HN 0.195 nan 8.250 nan 0.000 0.439 97 H N 2.065 121.105 119.070 -0.051 0.000 2.799 97 H HA 0.026 4.582 4.556 0.001 0.000 0.225 97 H C -0.160 175.127 175.328 -0.069 0.000 1.904 97 H CA -0.009 56.007 56.048 -0.054 0.000 1.344 97 H CB -0.227 29.520 29.762 -0.026 0.000 1.744 97 H HN 0.398 nan 8.280 nan 0.000 0.542 98 N N 0.134 118.816 118.700 -0.029 0.000 2.362 98 N HA -0.083 4.657 4.740 0.001 0.000 0.211 98 N C 1.072 176.562 175.510 -0.033 0.000 1.170 98 N CA -0.006 53.027 53.050 -0.028 0.000 0.828 98 N CB -0.131 38.327 38.487 -0.048 0.000 1.034 98 N HN 0.289 nan 8.380 nan 0.000 0.475 99 T N -3.178 111.350 114.554 -0.045 0.000 3.069 99 T HA 0.362 4.712 4.350 0.001 0.000 0.252 99 T C 0.427 175.082 174.700 -0.076 0.000 1.053 99 T CA -0.322 61.745 62.100 -0.054 0.000 0.964 99 T CB -0.099 68.731 68.868 -0.063 0.000 1.005 99 T HN 0.104 nan 8.240 nan 0.000 0.532 100 I N 3.157 123.677 120.570 -0.084 0.000 2.378 100 I HA 0.358 4.528 4.170 0.001 0.000 0.291 100 I C 0.468 176.593 176.117 0.013 0.000 0.992 100 I CA -1.000 60.239 61.300 -0.102 0.000 1.154 100 I CB 1.974 39.796 38.000 -0.297 0.000 1.315 100 I HN 0.251 nan 8.210 nan 0.000 0.448 101 S N 4.699 120.438 115.700 0.065 0.000 2.573 101 S HA 0.191 4.661 4.470 0.001 0.000 0.277 101 S C 1.350 176.016 174.600 0.111 0.000 1.346 101 S CA -0.051 58.198 58.200 0.082 0.000 1.034 101 S CB 1.452 64.706 63.200 0.091 0.000 0.879 101 S HN 0.758 nan 8.310 nan 0.000 0.528 102 A N 2.869 125.747 122.820 0.096 0.000 1.917 102 A HA 0.015 4.335 4.320 0.001 0.000 0.219 102 A C 2.447 180.119 177.584 0.148 0.000 1.182 102 A CA 2.153 54.257 52.037 0.111 0.000 0.633 102 A CB -1.723 17.329 19.000 0.086 0.000 0.819 102 A HN 1.429 nan 8.150 nan 0.000 0.448 103 A N -0.190 122.722 122.820 0.153 0.000 1.877 103 A HA -0.177 4.143 4.320 0.001 0.000 0.216 103 A C 1.798 179.512 177.584 0.217 0.000 1.186 103 A CA 1.951 54.094 52.037 0.177 0.000 0.620 103 A CB -0.616 18.488 19.000 0.173 0.000 0.822 103 A HN 0.459 nan 8.150 nan 0.000 0.443 104 D N -0.483 120.061 120.400 0.241 0.000 2.117 104 D HA -0.116 4.524 4.640 0.001 0.000 0.198 104 D C 1.845 178.431 176.300 0.476 0.000 0.982 104 D CA 1.217 55.465 54.000 0.414 0.000 0.828 104 D CB -0.442 40.661 40.800 0.505 0.000 0.967 104 D HN 0.345 nan 8.370 nan 0.000 0.464 105 L N 0.547 121.964 121.223 0.322 0.000 2.042 105 L HA -0.164 4.176 4.340 0.001 0.000 0.210 105 L C 2.091 179.103 176.870 0.236 0.000 1.076 105 L CA 1.471 56.468 54.840 0.262 0.000 0.749 105 L CB -0.535 41.627 42.059 0.171 0.000 0.893 105 L HN -0.098 nan 8.230 nan 0.000 0.432 106 V N -0.376 119.667 119.914 0.215 0.000 2.307 106 V HA -0.248 3.873 4.120 0.001 0.000 0.245 106 V C 2.696 178.908 176.094 0.197 0.000 1.045 106 V CA 1.754 64.163 62.300 0.182 0.000 1.024 106 V CB -0.647 31.279 31.823 0.172 0.000 0.651 106 V HN 0.531 nan 8.190 nan 0.000 0.449 107 Q N -1.048 118.911 119.800 0.265 0.000 2.079 107 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 107 Q C 2.077 178.204 176.000 0.211 0.000 0.974 107 Q CA 1.731 57.702 55.803 0.280 0.000 0.840 107 Q CB -0.561 28.403 28.738 0.378 0.000 0.898 107 Q HN 0.682 nan 8.270 nan 0.000 0.430 108 F N 1.238 121.167 119.950 -0.034 0.000 2.134 108 F HA -0.175 4.353 4.527 0.001 0.000 0.299 108 F C 2.134 177.823 175.800 -0.185 0.000 1.097 108 F CA 1.265 58.972 58.000 -0.488 0.000 1.264 108 F CB -0.005 38.599 39.000 -0.661 0.000 1.001 108 F HN 0.074 nan 8.300 nan 0.000 0.479 109 A N 0.192 122.994 122.820 -0.030 0.000 1.972 109 A HA -0.056 4.264 4.320 0.001 0.000 0.219 109 A C 2.395 179.946 177.584 -0.054 0.000 1.169 109 A CA 1.549 53.562 52.037 -0.039 0.000 0.635 109 A CB -1.732 17.306 19.000 0.065 0.000 0.810 109 A HN 0.504 nan 8.150 nan 0.000 0.446 110 G N -0.529 108.254 108.800 -0.028 0.000 2.408 110 G HA2 0.036 3.996 3.960 0.001 0.000 0.217 110 G HA3 0.036 3.996 3.960 0.001 0.000 0.217 110 G C 1.716 176.539 174.900 -0.128 0.000 1.150 110 G CA 1.297 46.377 45.100 -0.033 0.000 0.776 110 G HN 0.752 nan 8.290 nan 0.000 0.542 111 A N 0.152 122.861 122.820 -0.185 0.000 1.902 111 A HA 0.098 4.419 4.320 0.001 0.000 0.217 111 A C 2.599 179.985 177.584 -0.329 0.000 1.181 111 A CA 1.771 53.669 52.037 -0.232 0.000 0.623 111 A CB -0.590 18.252 19.000 -0.262 0.000 0.818 111 A HN 0.240 nan 8.150 nan 0.000 0.443 112 V N -0.105 119.526 119.914 -0.471 0.000 2.307 112 V HA -0.236 3.885 4.120 0.001 0.000 0.245 112 V C 3.073 178.949 176.094 -0.365 0.000 1.045 112 V CA 1.891 63.955 62.300 -0.393 0.000 1.024 112 V CB -1.286 30.326 31.823 -0.351 0.000 0.651 112 V HN 0.613 nan 8.190 nan 0.000 0.449 113 A N -0.246 122.244 122.820 -0.551 0.000 1.883 113 A HA -0.217 4.103 4.320 0.001 0.000 0.217 113 A C 2.221 179.537 177.584 -0.447 0.000 1.186 113 A CA 2.044 53.548 52.037 -0.887 0.000 0.624 113 A CB -0.650 17.778 19.000 -0.953 0.000 0.822 113 A HN 0.497 nan 8.150 nan 0.000 0.444 114 L N 0.499 121.545 121.223 -0.294 0.000 2.131 114 L HA -0.180 4.161 4.340 0.001 0.000 0.210 114 L C 2.925 179.654 176.870 -0.234 0.000 1.092 114 L CA 1.475 56.179 54.840 -0.228 0.000 0.759 114 L CB -0.339 41.609 42.059 -0.184 0.000 0.903 114 L HN 0.631 nan 8.230 nan 0.000 0.435 115 S N -0.649 114.919 115.700 -0.221 0.000 2.469 115 S HA -0.133 4.337 4.470 0.001 0.000 0.238 115 S C 1.561 176.078 174.600 -0.139 0.000 0.998 115 S CA 1.100 59.198 58.200 -0.170 0.000 0.957 115 S CB -0.409 62.701 63.200 -0.151 0.000 0.764 115 S HN 0.451 nan 8.310 nan 0.000 0.514 116 N N 0.614 119.220 118.700 -0.157 0.000 2.461 116 N HA 0.137 4.877 4.740 0.001 0.000 0.188 116 N C -0.529 174.939 175.510 -0.070 0.000 1.134 116 N CA 0.201 53.183 53.050 -0.112 0.000 0.878 116 N CB -0.282 38.121 38.487 -0.141 0.000 0.972 116 N HN 0.426 nan 8.380 nan 0.000 0.456 117 c N 2.946 121.505 118.600 -0.069 0.000 2.225 117 c HA 0.352 4.922 4.570 0.001 0.000 0.328 117 c C -2.182 171.912 174.090 0.008 0.000 1.187 117 c CA -1.877 54.456 56.329 0.006 0.000 1.665 117 c CB 0.570 43.109 42.510 0.048 0.000 2.253 117 c HN 0.127 nan 8.230 nan 0.000 0.497 118 P HA 0.192 nan 4.420 nan 0.000 0.261 118 P C 1.036 178.371 177.300 0.059 0.000 1.183 118 P CA 1.884 65.001 63.100 0.029 0.000 0.761 118 P CB 0.277 31.999 31.700 0.036 0.000 0.785 119 G N 2.035 110.854 108.800 0.032 0.000 2.217 119 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 119 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 119 G C 0.481 175.387 174.900 0.010 0.000 0.990 119 G CA -0.022 45.113 45.100 0.060 0.000 0.627 119 G HN 0.836 nan 8.290 nan 0.000 0.522 120 A N 1.611 124.330 122.820 -0.167 0.000 2.425 120 A HA 0.651 4.971 4.320 0.001 0.000 0.242 120 A C -0.941 176.471 177.584 -0.285 0.000 1.077 120 A CA -0.050 51.649 52.037 -0.563 0.000 0.781 120 A CB 0.270 18.876 19.000 -0.657 0.000 1.020 120 A HN 0.344 nan 8.150 nan 0.000 0.494 121 P HA 0.247 nan 4.420 nan 0.000 0.278 121 P C -0.789 176.454 177.300 -0.094 0.000 1.266 121 P CA -0.640 62.403 63.100 -0.095 0.000 0.807 121 P CB 0.678 32.370 31.700 -0.014 0.000 1.094 122 R N 1.789 122.260 120.500 -0.048 0.000 2.205 122 R HA 0.313 4.653 4.340 0.001 0.000 0.342 122 R C 0.078 176.370 176.300 -0.015 0.000 1.058 122 R CA -0.513 55.563 56.100 -0.040 0.000 0.904 122 R CB -0.472 29.816 30.300 -0.019 0.000 1.089 122 R HN 0.474 nan 8.270 nan 0.000 0.471 123 L N 2.946 124.158 121.223 -0.020 0.000 2.483 123 L HA 0.055 4.395 4.340 0.001 0.000 0.275 123 L C 0.985 177.885 176.870 0.050 0.000 1.220 123 L CA 0.340 55.183 54.840 0.006 0.000 0.833 123 L CB 0.479 42.541 42.059 0.005 0.000 1.102 123 L HN 0.645 nan 8.230 nan 0.000 0.490 124 E N 1.669 121.897 120.200 0.046 0.000 2.415 124 E HA -0.005 4.345 4.350 0.001 0.000 0.262 124 E C -1.392 175.298 176.600 0.150 0.000 1.038 124 E CA -0.127 56.314 56.400 0.068 0.000 0.921 124 E CB 0.624 30.340 29.700 0.027 0.000 0.950 124 E HN 0.338 nan 8.360 nan 0.000 0.438 125 F N 5.695 125.635 119.950 -0.016 0.000 2.612 125 F HA 0.343 4.870 4.527 0.000 0.000 0.332 125 F C -1.659 174.088 175.800 -0.088 0.000 1.167 125 F CA -0.732 57.251 58.000 -0.030 0.000 0.970 125 F CB 0.599 39.611 39.000 0.021 0.000 1.234 125 F HN 0.299 nan 8.300 nan 0.000 0.453 126 L N 5.477 126.245 121.223 -0.759 0.000 2.360 126 L HA 0.911 5.251 4.340 0.001 0.000 0.271 126 L C 0.022 176.204 176.870 -1.147 0.000 1.057 126 L CA -0.958 53.447 54.840 -0.725 0.000 0.803 126 L CB 1.495 43.329 42.059 -0.375 0.000 1.207 126 L HN 0.737 nan 8.230 nan 0.000 0.445 127 A N 0.391 122.748 122.820 -0.770 0.000 2.430 127 A HA 0.824 5.144 4.320 0.001 0.000 0.300 127 A C 0.401 177.832 177.584 -0.254 0.000 1.124 127 A CA 0.127 51.833 52.037 -0.552 0.000 0.766 127 A CB 1.708 20.474 19.000 -0.389 0.000 1.328 127 A HN 0.962 nan 8.150 nan 0.000 0.424 128 G N -0.206 108.530 108.800 -0.106 0.000 2.159 128 G HA2 -0.136 3.825 3.960 0.001 0.000 0.170 128 G HA3 -0.136 3.825 3.960 0.001 0.000 0.170 128 G C 0.108 174.950 174.900 -0.096 0.000 1.007 128 G CA -0.088 44.966 45.100 -0.077 0.000 0.672 128 G HN 0.821 nan 8.290 nan 0.000 0.507 129 R N 0.968 121.378 120.500 -0.149 0.000 2.491 129 R HA 0.413 4.754 4.340 0.001 0.000 0.283 129 R C -2.192 174.116 176.300 0.013 0.000 1.072 129 R CA -1.268 54.718 56.100 -0.189 0.000 1.048 129 R CB 0.332 30.463 30.300 -0.281 0.000 0.983 129 R HN 0.134 nan 8.270 nan 0.000 0.450 130 P HA -0.012 nan 4.420 nan 0.000 0.271 130 P C -0.221 177.139 177.300 0.101 0.000 1.233 130 P CA -0.071 63.084 63.100 0.090 0.000 0.789 130 P CB 0.530 32.294 31.700 0.107 0.000 0.951 131 N N 0.067 118.813 118.700 0.076 0.000 2.279 131 N HA 0.090 4.830 4.740 0.001 0.000 0.226 131 N C -0.640 174.910 175.510 0.068 0.000 1.126 131 N CA 0.141 53.233 53.050 0.069 0.000 0.846 131 N CB -0.216 38.297 38.487 0.044 0.000 1.050 131 N HN 0.212 nan 8.380 nan 0.000 0.502 132 K N -1.165 119.289 120.400 0.090 0.000 2.464 132 K HA 0.507 4.828 4.320 0.001 0.000 0.253 132 K C -0.871 175.814 176.600 0.142 0.000 0.933 132 K CA -0.713 55.635 56.287 0.102 0.000 0.801 132 K CB 2.347 34.895 32.500 0.081 0.000 1.271 132 K HN -0.064 nan 8.250 nan 0.000 0.430 133 T N 0.748 115.429 114.554 0.213 0.000 2.627 133 T HA 0.609 4.959 4.350 0.001 0.000 0.294 133 T C -1.609 173.240 174.700 0.248 0.000 1.230 133 T CA -0.703 61.517 62.100 0.200 0.000 1.084 133 T CB 0.554 69.535 68.868 0.189 0.000 1.693 133 T HN 0.563 nan 8.240 nan 0.000 0.465 134 I N -0.228 120.376 120.570 0.057 0.000 3.067 134 I HA 0.943 5.114 4.170 0.001 0.000 0.312 134 I C -0.145 175.609 176.117 -0.606 0.000 1.073 134 I CA -1.666 59.453 61.300 -0.302 0.000 1.016 134 I CB 1.743 39.628 38.000 -0.192 0.000 1.227 134 I HN 0.695 nan 8.210 nan 0.000 0.456 135 A N 2.095 124.291 122.820 -1.040 0.000 2.363 135 A HA 0.751 5.071 4.320 0.001 0.000 0.270 135 A C 0.358 177.803 177.584 -0.232 0.000 1.121 135 A CA -0.088 51.560 52.037 -0.648 0.000 0.800 135 A CB 0.275 18.918 19.000 -0.597 0.000 1.052 135 A HN 1.066 nan 8.150 nan 0.000 0.493 136 A N 1.523 124.300 122.820 -0.072 0.000 2.296 136 A HA 0.557 4.877 4.320 0.001 0.000 0.264 136 A C 0.698 178.365 177.584 0.137 0.000 1.097 136 A CA 0.228 52.278 52.037 0.023 0.000 0.811 136 A CB -0.138 18.899 19.000 0.063 0.000 1.072 136 A HN 2.084 nan 8.150 nan 0.000 0.495 137 V N -1.177 118.791 119.914 0.089 0.000 3.170 137 V HA 0.459 4.580 4.120 0.001 0.000 0.309 137 V C 0.237 176.298 176.094 -0.055 0.000 1.071 137 V CA -0.778 61.550 62.300 0.047 0.000 1.063 137 V CB 0.922 32.722 31.823 -0.039 0.000 1.123 137 V HN 0.835 nan 8.190 nan 0.000 0.464 138 D N 0.427 120.542 120.400 -0.475 0.000 2.377 138 D HA 0.495 5.136 4.640 0.001 0.000 0.245 138 D C 1.171 177.265 176.300 -0.343 0.000 1.196 138 D CA 1.129 54.620 54.000 -0.848 0.000 0.962 138 D CB 1.173 41.239 40.800 -1.224 0.000 1.127 138 D HN 1.449 nan 8.370 nan 0.000 0.471 139 G N 0.471 109.119 108.800 -0.255 0.000 2.176 139 G HA2 -0.227 3.734 3.960 0.001 0.000 0.253 139 G HA3 -0.227 3.734 3.960 0.001 0.000 0.253 139 G C 1.062 175.902 174.900 -0.100 0.000 0.979 139 G CA 0.511 45.526 45.100 -0.142 0.000 0.641 139 G HN 0.451 nan 8.290 nan 0.000 0.530 140 L N 0.324 121.491 121.223 -0.094 0.000 2.554 140 L HA 0.355 4.695 4.340 0.001 0.000 0.225 140 L C 0.661 177.434 176.870 -0.161 0.000 1.104 140 L CA -0.066 54.712 54.840 -0.103 0.000 0.866 140 L CB 0.055 42.066 42.059 -0.080 0.000 1.047 140 L HN 0.120 nan 8.230 nan 0.000 0.468 141 I N 1.190 121.667 120.570 -0.155 0.000 2.331 141 I HA 0.313 4.484 4.170 0.001 0.000 0.292 141 I C -2.043 173.995 176.117 -0.131 0.000 0.998 141 I CA -2.710 58.437 61.300 -0.254 0.000 1.267 141 I CB 0.624 38.467 38.000 -0.261 0.000 1.386 141 I HN -0.248 nan 8.210 nan 0.000 0.476 142 P HA 0.212 nan 4.420 nan 0.000 0.269 142 P C -0.554 176.803 177.300 0.094 0.000 1.215 142 P CA -0.113 63.019 63.100 0.054 0.000 0.780 142 P CB 0.846 32.659 31.700 0.188 0.000 0.898 143 E N 2.572 122.832 120.200 0.100 0.000 2.312 143 E HA 0.212 4.563 4.350 0.001 0.000 0.267 143 E C -1.774 174.893 176.600 0.111 0.000 0.894 143 E CA -1.917 54.550 56.400 0.111 0.000 0.773 143 E CB 1.671 31.419 29.700 0.080 0.000 1.241 143 E HN 0.298 nan 8.360 nan 0.000 0.432 144 P HA -0.178 nan 4.420 nan 0.000 0.226 144 P C 0.876 178.216 177.300 0.067 0.000 1.153 144 P CA 1.056 64.209 63.100 0.088 0.000 0.777 144 P CB 0.336 32.084 31.700 0.080 0.000 0.794 145 Q N -0.796 119.042 119.800 0.064 0.000 2.403 145 Q HA 0.038 4.379 4.340 0.001 0.000 0.203 145 Q C -0.215 175.817 176.000 0.053 0.000 0.932 145 Q CA 0.462 56.296 55.803 0.052 0.000 0.945 145 Q CB -0.585 28.180 28.738 0.045 0.000 1.045 145 Q HN 0.177 nan 8.270 nan 0.000 0.511 146 D N 2.759 123.196 120.400 0.061 0.000 2.362 146 D HA 0.081 4.721 4.640 0.001 0.000 0.242 146 D C 0.169 176.504 176.300 0.059 0.000 1.132 146 D CA 0.154 54.190 54.000 0.060 0.000 0.907 146 D CB 1.198 42.040 40.800 0.071 0.000 1.195 146 D HN 0.283 nan 8.370 nan 0.000 0.429 147 S N -0.112 115.620 115.700 0.053 0.000 2.614 147 S HA 0.125 4.596 4.470 0.001 0.000 0.265 147 S C 1.350 175.982 174.600 0.054 0.000 1.303 147 S CA -0.847 57.383 58.200 0.049 0.000 1.000 147 S CB 0.977 64.203 63.200 0.042 0.000 0.935 147 S HN 0.202 nan 8.310 nan 0.000 0.551 148 V N 1.763 121.702 119.914 0.042 0.000 2.343 148 V HA -0.158 3.962 4.120 0.001 0.000 0.247 148 V C 2.806 178.934 176.094 0.056 0.000 1.051 148 V CA 2.446 64.770 62.300 0.040 0.000 1.036 148 V CB -1.657 30.175 31.823 0.016 0.000 0.654 148 V HN 1.044 nan 8.190 nan 0.000 0.451 149 T N -0.398 114.186 114.554 0.049 0.000 2.720 149 T HA -0.288 4.062 4.350 0.001 0.000 0.268 149 T C 1.962 176.703 174.700 0.069 0.000 1.037 149 T CA 2.090 64.222 62.100 0.054 0.000 1.144 149 T CB -0.217 68.677 68.868 0.042 0.000 0.864 149 T HN 0.486 nan 8.240 nan 0.000 0.444 150 K N 0.535 120.974 120.400 0.066 0.000 2.026 150 K HA -0.037 4.284 4.320 0.001 0.000 0.208 150 K C 2.256 178.919 176.600 0.104 0.000 1.048 150 K CA 1.272 57.601 56.287 0.070 0.000 0.929 150 K CB -0.299 32.235 32.500 0.057 0.000 0.713 150 K HN 0.298 nan 8.250 nan 0.000 0.439 151 I N 1.216 121.864 120.570 0.129 0.000 2.142 151 I HA -0.314 3.856 4.170 0.001 0.000 0.240 151 I C 2.237 178.529 176.117 0.293 0.000 1.078 151 I CA 1.219 62.650 61.300 0.217 0.000 1.343 151 I CB -0.229 37.887 38.000 0.193 0.000 1.046 151 I HN 0.194 nan 8.210 nan 0.000 0.405 152 L N -0.005 121.333 121.223 0.192 0.000 2.083 152 L HA -0.228 4.112 4.340 0.001 0.000 0.209 152 L C 2.693 179.692 176.870 0.215 0.000 1.083 152 L CA 1.093 56.049 54.840 0.193 0.000 0.752 152 L CB -0.674 41.453 42.059 0.114 0.000 0.899 152 L HN 0.396 nan 8.230 nan 0.000 0.433 153 Q N 0.669 120.564 119.800 0.158 0.000 2.050 153 Q HA -0.250 4.090 4.340 0.001 0.000 0.202 153 Q C 2.295 178.378 176.000 0.139 0.000 0.980 153 Q CA 1.644 57.523 55.803 0.128 0.000 0.840 153 Q CB -0.024 28.764 28.738 0.084 0.000 0.898 153 Q HN 0.261 nan 8.270 nan 0.000 0.424 154 R N -0.337 120.242 120.500 0.132 0.000 2.083 154 R HA -0.127 4.213 4.340 0.001 0.000 0.237 154 R C 2.161 178.505 176.300 0.074 0.000 1.137 154 R CA 1.792 57.923 56.100 0.053 0.000 0.951 154 R CB -0.863 29.430 30.300 -0.013 0.000 0.851 154 R HN 0.251 nan 8.270 nan 0.000 0.434 155 F N 0.461 120.492 119.950 0.134 0.000 2.259 155 F HA -0.015 4.512 4.527 0.001 0.000 0.298 155 F C 2.386 178.375 175.800 0.315 0.000 1.088 155 F CA 1.670 59.806 58.000 0.227 0.000 1.358 155 F CB -0.223 38.868 39.000 0.152 0.000 1.040 155 F HN 0.266 nan 8.300 nan 0.000 0.505 156 E N 0.265 120.684 120.200 0.366 0.000 2.106 156 E HA -0.258 4.092 4.350 0.001 0.000 0.192 156 E C 1.715 178.408 176.600 0.156 0.000 0.984 156 E CA 1.494 58.038 56.400 0.239 0.000 0.806 156 E CB -0.143 29.656 29.700 0.165 0.000 0.750 156 E HN 0.360 nan 8.360 nan 0.000 0.458 157 D N -0.198 120.279 120.400 0.129 0.000 2.144 157 D HA -0.080 4.560 4.640 0.001 0.000 0.200 157 D C 1.789 178.129 176.300 0.067 0.000 0.978 157 D CA 1.413 55.456 54.000 0.072 0.000 0.833 157 D CB -0.036 40.791 40.800 0.046 0.000 0.961 157 D HN 0.271 nan 8.370 nan 0.000 0.470 158 A N -0.585 122.298 122.820 0.105 0.000 1.897 158 A HA 0.269 4.589 4.320 0.001 0.000 0.215 158 A C 1.970 179.626 177.584 0.119 0.000 1.181 158 A CA 1.531 53.629 52.037 0.102 0.000 0.620 158 A CB -0.279 18.785 19.000 0.107 0.000 0.821 158 A HN 0.363 nan 8.150 nan 0.000 0.443 159 G N -3.366 105.515 108.800 0.135 0.000 5.364 159 G HA2 0.462 4.422 3.960 0.001 0.000 0.220 159 G HA3 0.462 4.422 3.960 0.001 0.000 0.220 159 G C 0.849 175.553 174.900 -0.326 0.000 0.838 159 G CA 0.704 45.725 45.100 -0.132 0.000 0.727 159 G HN 1.593 nan 8.290 nan 0.000 0.303 160 G N 0.047 108.792 108.800 -0.092 0.000 2.153 160 G HA2 -0.303 3.658 3.960 0.001 0.000 0.252 160 G HA3 -0.303 3.658 3.960 0.001 0.000 0.252 160 G C 0.301 175.162 174.900 -0.065 0.000 0.994 160 G CA 0.018 45.074 45.100 -0.073 0.000 0.698 160 G HN 0.504 nan 8.290 nan 0.000 0.521 161 F N 1.826 121.865 119.950 0.148 0.000 2.518 161 F HA 0.412 4.940 4.527 0.000 0.000 0.359 161 F C 1.728 177.598 175.800 0.117 0.000 1.118 161 F CA 0.727 58.817 58.000 0.150 0.000 1.287 161 F CB 0.675 39.815 39.000 0.233 0.000 1.132 161 F HN 0.213 nan 8.300 nan 0.000 0.587 162 T N 0.565 115.287 114.554 0.279 0.000 2.874 162 T HA 0.263 4.613 4.350 0.001 0.000 0.281 162 T C -2.000 172.805 174.700 0.174 0.000 0.994 162 T CA -1.887 60.335 62.100 0.203 0.000 1.015 162 T CB 1.571 70.553 68.868 0.190 0.000 1.028 162 T HN 0.259 nan 8.240 nan 0.000 0.523 163 P HA -0.027 nan 4.420 nan 0.000 0.218 163 P C 1.174 178.531 177.300 0.095 0.000 1.148 163 P CA 0.589 63.736 63.100 0.079 0.000 0.822 163 P CB -0.130 31.623 31.700 0.089 0.000 0.784 164 F N 1.163 121.133 119.950 0.034 0.000 2.095 164 F HA -0.197 4.331 4.527 0.000 0.000 0.298 164 F C 1.947 177.778 175.800 0.052 0.000 1.104 164 F CA 1.699 59.724 58.000 0.041 0.000 1.232 164 F CB -0.550 38.479 39.000 0.047 0.000 0.987 164 F HN -0.077 nan 8.300 nan 0.000 0.475 165 E N -0.401 119.869 120.200 0.117 0.000 2.106 165 E HA -0.166 4.184 4.350 0.001 0.000 0.192 165 E C 2.326 178.807 176.600 -0.199 0.000 0.984 165 E CA 1.380 57.794 56.400 0.024 0.000 0.806 165 E CB -0.294 29.591 29.700 0.308 0.000 0.750 165 E HN 0.303 nan 8.360 nan 0.000 0.458 166 V N 0.822 120.575 119.914 -0.268 0.000 2.261 166 V HA -0.232 3.888 4.120 0.001 0.000 0.246 166 V C 2.300 178.141 176.094 -0.422 0.000 1.047 166 V CA 1.405 63.333 62.300 -0.620 0.000 1.015 166 V CB -0.325 31.096 31.823 -0.671 0.000 0.642 166 V HN 0.142 nan 8.190 nan 0.000 0.446 167 V N -0.155 119.624 119.914 -0.225 0.000 2.515 167 V HA -0.214 3.906 4.120 0.001 0.000 0.250 167 V C 2.536 178.555 176.094 -0.125 0.000 1.058 167 V CA 2.038 64.297 62.300 -0.068 0.000 1.064 167 V CB -0.613 31.258 31.823 0.079 0.000 0.675 167 V HN 0.551 nan 8.190 nan 0.000 0.461 168 S N 0.325 115.849 115.700 -0.294 0.000 2.370 168 S HA -0.167 4.303 4.470 0.001 0.000 0.226 168 S C 1.890 176.398 174.600 -0.153 0.000 1.033 168 S CA 1.583 59.534 58.200 -0.414 0.000 1.011 168 S CB -0.385 62.539 63.200 -0.460 0.000 0.852 168 S HN 0.497 nan 8.310 nan 0.000 0.457 169 L N 0.813 121.932 121.223 -0.173 0.000 2.201 169 L HA 0.004 4.344 4.340 0.001 0.000 0.212 169 L C 1.836 178.671 176.870 -0.059 0.000 1.105 169 L CA 0.759 55.559 54.840 -0.067 0.000 0.775 169 L CB -0.402 41.475 42.059 -0.303 0.000 0.913 169 L HN 0.279 nan 8.230 nan 0.000 0.440 170 L N -0.434 120.650 121.223 -0.232 0.000 2.622 170 L HA -0.040 4.300 4.340 0.001 0.000 0.233 170 L C 2.529 179.161 176.870 -0.396 0.000 1.156 170 L CA 0.113 54.725 54.840 -0.381 0.000 0.866 170 L CB -0.430 41.427 42.059 -0.336 0.000 0.980 170 L HN 0.206 nan 8.230 nan 0.000 0.448 171 A N 0.045 122.713 122.820 -0.253 0.000 2.070 171 A HA -0.201 4.119 4.320 0.001 0.000 0.220 171 A C 2.477 179.653 177.584 -0.680 0.000 1.159 171 A CA 1.606 53.357 52.037 -0.477 0.000 0.656 171 A CB -0.452 18.247 19.000 -0.501 0.000 0.800 171 A HN 0.540 nan 8.150 nan 0.000 0.453 172 S N -0.581 114.900 115.700 -0.365 0.000 2.440 172 S HA -0.242 4.228 4.470 0.001 0.000 0.238 172 S C 1.462 176.039 174.600 -0.038 0.000 1.010 172 S CA 1.413 59.528 58.200 -0.142 0.000 0.972 172 S CB -1.068 62.208 63.200 0.126 0.000 0.774 172 S HN 0.796 nan 8.310 nan 0.000 0.501 173 H N 0.397 119.309 119.070 -0.263 0.000 2.556 173 H HA 0.191 4.748 4.556 0.000 0.000 0.268 173 H C 2.019 177.194 175.328 -0.255 0.000 0.996 173 H CA 0.469 56.440 56.048 -0.128 0.000 1.157 173 H CB 0.070 29.782 29.762 -0.083 0.000 1.355 173 H HN 0.517 nan 8.280 nan 0.000 0.597 174 S N 0.919 116.401 115.700 -0.363 0.000 2.481 174 S HA -0.063 4.407 4.470 0.001 0.000 0.231 174 S C 1.058 175.446 174.600 -0.354 0.000 0.996 174 S CA 0.681 58.619 58.200 -0.437 0.000 0.942 174 S CB -0.030 62.745 63.200 -0.709 0.000 0.768 174 S HN 0.308 nan 8.310 nan 0.000 0.520 175 V N -0.959 118.755 119.914 -0.332 0.000 2.464 175 V HA 0.896 5.016 4.120 0.001 0.000 0.255 175 V C -0.521 175.095 176.094 -0.796 0.000 0.946 175 V CA -0.318 61.742 62.300 -0.400 0.000 0.988 175 V CB -0.028 31.730 31.823 -0.107 0.000 1.210 175 V HN 0.298 nan 8.190 nan 0.000 0.523 176 A N 2.653 125.037 122.820 -0.728 0.000 2.547 176 A HA 0.967 5.287 4.320 0.001 0.000 0.297 176 A C -0.591 176.455 177.584 -0.896 0.000 1.056 176 A CA -0.869 50.734 52.037 -0.723 0.000 0.688 176 A CB 2.115 20.872 19.000 -0.405 0.000 1.282 176 A HN 0.638 nan 8.150 nan 0.000 0.400 177 R N 0.162 120.189 120.500 -0.788 0.000 2.836 177 R HA 0.821 5.162 4.340 0.001 0.000 0.269 177 R C -0.757 175.166 176.300 -0.629 0.000 1.010 177 R CA -0.759 54.882 56.100 -0.766 0.000 0.930 177 R CB 2.535 32.644 30.300 -0.318 0.000 1.218 177 R HN 1.013 nan 8.270 nan 0.000 0.473 178 A N 0.704 123.256 122.820 -0.448 0.000 2.318 178 A HA 0.407 4.727 4.320 0.001 0.000 0.317 178 A C -0.603 176.964 177.584 -0.029 0.000 1.159 178 A CA -0.644 51.313 52.037 -0.134 0.000 0.799 178 A CB 0.792 19.839 19.000 0.078 0.000 1.194 178 A HN 0.782 nan 8.150 nan 0.000 0.479 179 D N 1.093 121.501 120.400 0.013 0.000 2.454 179 D HA 0.041 4.681 4.640 0.001 0.000 0.219 179 D C 0.847 177.175 176.300 0.048 0.000 1.081 179 D CA 0.524 54.543 54.000 0.032 0.000 0.867 179 D CB 0.491 41.311 40.800 0.034 0.000 1.054 179 D HN 0.465 nan 8.370 nan 0.000 0.500 180 K N 0.693 121.131 120.400 0.063 0.000 2.354 180 K HA 0.172 4.493 4.320 0.001 0.000 0.194 180 K C 1.988 178.633 176.600 0.075 0.000 1.045 180 K CA 0.108 56.435 56.287 0.067 0.000 1.026 180 K CB 0.667 33.212 32.500 0.075 0.000 0.866 180 K HN -0.005 nan 8.250 nan 0.000 0.530 181 V N 1.573 121.543 119.914 0.094 0.000 2.427 181 V HA -0.133 3.987 4.120 0.001 0.000 0.248 181 V C 0.781 176.918 176.094 0.072 0.000 1.051 181 V CA 1.414 63.772 62.300 0.097 0.000 1.048 181 V CB -0.215 31.688 31.823 0.133 0.000 0.666 181 V HN 0.257 nan 8.190 nan 0.000 0.456 182 D N -0.647 119.793 120.400 0.068 0.000 2.471 182 D HA 0.176 4.816 4.640 0.001 0.000 0.245 182 D C 0.787 177.109 176.300 0.037 0.000 1.116 182 D CA -0.407 53.621 54.000 0.047 0.000 0.853 182 D CB 1.634 42.467 40.800 0.056 0.000 1.123 182 D HN 0.034 nan 8.370 nan 0.000 0.540 183 Q N 1.538 121.354 119.800 0.027 0.000 2.437 183 Q HA -0.048 4.293 4.340 0.001 0.000 0.210 183 Q C 1.561 177.572 176.000 0.018 0.000 0.972 183 Q CA 0.902 56.720 55.803 0.024 0.000 0.903 183 Q CB -0.043 28.708 28.738 0.020 0.000 0.967 183 Q HN 0.655 nan 8.270 nan 0.000 0.486 184 T N -2.256 112.307 114.554 0.015 0.000 3.081 184 T HA 0.197 4.548 4.350 0.001 0.000 0.255 184 T C 1.151 175.858 174.700 0.011 0.000 1.113 184 T CA -0.075 62.031 62.100 0.010 0.000 1.082 184 T CB -0.226 68.645 68.868 0.005 0.000 0.939 184 T HN 0.274 nan 8.240 nan 0.000 0.506 185 I N -2.537 118.044 120.570 0.019 0.000 2.934 185 I HA 0.767 4.937 4.170 0.001 0.000 0.306 185 I C -1.722 174.408 176.117 0.021 0.000 1.110 185 I CA -1.286 60.024 61.300 0.017 0.000 1.019 185 I CB 2.288 40.304 38.000 0.027 0.000 1.227 185 I HN -0.271 nan 8.210 nan 0.000 0.434 186 D N 3.149 123.558 120.400 0.016 0.000 2.252 186 D HA 0.592 5.232 4.640 0.001 0.000 0.245 186 D C 0.244 176.575 176.300 0.052 0.000 1.009 186 D CA 0.539 54.558 54.000 0.032 0.000 0.870 186 D CB 2.122 42.939 40.800 0.028 0.000 1.251 186 D HN 1.033 nan 8.370 nan 0.000 0.460 187 A N 1.508 124.360 122.820 0.053 0.000 2.739 187 A HA -0.041 4.279 4.320 0.001 0.000 0.296 187 A C 0.358 177.946 177.584 0.007 0.000 1.488 187 A CA 0.839 52.909 52.037 0.055 0.000 0.746 187 A CB -1.953 17.174 19.000 0.211 0.000 1.047 187 A HN 0.690 nan 8.150 nan 0.000 0.477 188 A N 1.154 123.948 122.820 -0.042 0.000 2.350 188 A HA 0.612 4.932 4.320 0.001 0.000 0.293 188 A C -1.367 176.104 177.584 -0.187 0.000 1.231 188 A CA -0.902 51.104 52.037 -0.051 0.000 0.883 188 A CB 0.097 19.107 19.000 0.017 0.000 1.133 188 A HN 0.539 nan 8.150 nan 0.000 0.533 189 P HA 0.182 nan 4.420 nan 0.000 0.274 189 P C -0.081 177.124 177.300 -0.157 0.000 1.231 189 P CA -0.221 62.696 63.100 -0.306 0.000 0.790 189 P CB 0.521 32.080 31.700 -0.235 0.000 0.951 190 F N 0.292 120.129 119.950 -0.188 0.000 2.743 190 F HA 0.078 4.605 4.527 0.000 0.000 0.297 190 F C 1.273 176.986 175.800 -0.144 0.000 1.131 190 F CA 0.367 58.270 58.000 -0.162 0.000 1.426 190 F CB -0.483 38.386 39.000 -0.219 0.000 1.116 190 F HN 0.305 nan 8.300 nan 0.000 0.583 191 D N -2.479 117.902 120.400 -0.031 0.000 2.610 191 D HA 0.142 4.782 4.640 0.001 0.000 0.271 191 D C 0.500 176.741 176.300 -0.099 0.000 1.174 191 D CA -0.252 53.711 54.000 -0.061 0.000 0.949 191 D CB 0.725 41.463 40.800 -0.103 0.000 1.430 191 D HN -0.151 nan 8.370 nan 0.000 0.467 192 S N -1.631 114.024 115.700 -0.075 0.000 2.607 192 S HA 0.098 4.569 4.470 0.001 0.000 0.224 192 S C 0.675 175.212 174.600 -0.105 0.000 0.969 192 S CA 0.572 58.728 58.200 -0.072 0.000 0.927 192 S CB -1.044 62.139 63.200 -0.028 0.000 0.772 192 S HN 0.742 nan 8.310 nan 0.000 0.533 193 T N -1.265 113.200 114.554 -0.148 0.000 3.658 193 T HA 0.408 4.758 4.350 0.001 0.000 0.245 193 T C -2.200 172.345 174.700 -0.259 0.000 1.292 193 T CA -1.233 60.772 62.100 -0.159 0.000 1.598 193 T CB 1.298 70.115 68.868 -0.085 0.000 0.861 193 T HN 0.035 nan 8.240 nan 0.000 0.663 194 P HA 0.068 nan 4.420 nan 0.000 0.239 194 P C 0.193 177.223 177.300 -0.449 0.000 1.184 194 P CA 0.266 63.035 63.100 -0.550 0.000 0.760 194 P CB -0.270 31.009 31.700 -0.701 0.000 0.884 195 F N -0.561 119.418 119.950 0.047 0.000 2.653 195 F HA 0.267 4.795 4.527 0.000 0.000 0.304 195 F C 0.721 176.543 175.800 0.038 0.000 1.092 195 F CA -0.133 57.907 58.000 0.067 0.000 1.279 195 F CB -0.458 38.546 39.000 0.007 0.000 1.044 195 F HN -0.264 nan 8.300 nan 0.000 0.564 196 T N 0.282 114.896 114.554 0.100 0.000 2.841 196 T HA 0.253 4.603 4.350 0.001 0.000 0.285 196 T C -0.919 173.805 174.700 0.039 0.000 0.991 196 T CA -0.363 61.781 62.100 0.074 0.000 0.966 196 T CB 1.274 70.161 68.868 0.032 0.000 0.962 196 T HN -0.038 nan 8.240 nan 0.000 0.438 197 F N 5.661 125.559 119.950 -0.088 0.000 2.626 197 F HA 0.259 4.786 4.527 0.000 0.000 0.353 197 F C 0.338 176.057 175.800 -0.136 0.000 1.230 197 F CA -0.759 57.150 58.000 -0.153 0.000 1.298 197 F CB -0.391 38.497 39.000 -0.186 0.000 1.670 197 F HN 0.579 nan 8.300 nan 0.000 0.633 198 D N -0.470 119.818 120.400 -0.188 0.000 2.616 198 D HA 0.217 4.857 4.640 0.001 0.000 0.260 198 D C 0.756 176.929 176.300 -0.211 0.000 1.158 198 D CA -0.422 53.492 54.000 -0.144 0.000 1.085 198 D CB 0.423 41.177 40.800 -0.078 0.000 1.222 198 D HN 0.101 nan 8.370 nan 0.000 0.626 199 T N -3.114 111.373 114.554 -0.112 0.000 3.163 199 T HA 0.004 4.354 4.350 0.001 0.000 0.252 199 T C 1.064 175.754 174.700 -0.017 0.000 1.056 199 T CA -0.155 61.925 62.100 -0.034 0.000 0.947 199 T CB -0.045 68.805 68.868 -0.031 0.000 1.016 199 T HN 0.192 nan 8.240 nan 0.000 0.554 200 Q N 0.892 120.640 119.800 -0.088 0.000 2.135 200 Q HA -0.062 4.278 4.340 0.001 0.000 0.204 200 Q C 2.397 178.348 176.000 -0.081 0.000 0.981 200 Q CA 1.122 56.879 55.803 -0.076 0.000 0.856 200 Q CB -0.941 27.747 28.738 -0.083 0.000 0.902 200 Q HN 0.529 nan 8.270 nan 0.000 0.425 201 V N 0.345 120.146 119.914 -0.189 0.000 2.392 201 V HA -0.254 3.866 4.120 0.001 0.000 0.249 201 V C 1.858 177.822 176.094 -0.217 0.000 1.059 201 V CA 1.579 63.732 62.300 -0.244 0.000 1.051 201 V CB -0.474 31.089 31.823 -0.433 0.000 0.658 201 V HN 0.215 nan 8.190 nan 0.000 0.455 202 F N -0.889 118.947 119.950 -0.191 0.000 2.186 202 F HA -0.075 4.453 4.527 0.000 0.000 0.299 202 F C 2.052 177.956 175.800 0.172 0.000 1.090 202 F CA 1.687 59.543 58.000 -0.239 0.000 1.307 202 F CB -0.532 38.142 39.000 -0.543 0.000 1.019 202 F HN 0.229 nan 8.300 nan 0.000 0.489 203 L N 0.576 121.931 121.223 0.219 0.000 2.027 203 L HA -0.163 4.177 4.340 0.001 0.000 0.206 203 L C 2.020 178.999 176.870 0.182 0.000 1.074 203 L CA 1.948 56.902 54.840 0.189 0.000 0.745 203 L CB -0.827 41.233 42.059 0.000 0.000 0.898 203 L HN 0.114 nan 8.230 nan 0.000 0.433 204 E N -1.146 119.127 120.200 0.122 0.000 2.208 204 E HA -0.120 4.230 4.350 0.001 0.000 0.193 204 E C 2.096 178.782 176.600 0.143 0.000 0.988 204 E CA 1.003 57.468 56.400 0.109 0.000 0.828 204 E CB -0.015 29.719 29.700 0.057 0.000 0.763 204 E HN 0.378 nan 8.360 nan 0.000 0.478 205 V N 1.240 121.276 119.914 0.202 0.000 2.913 205 V HA -0.169 3.951 4.120 0.001 0.000 0.260 205 V C 1.842 178.015 176.094 0.132 0.000 1.098 205 V CA 1.164 63.565 62.300 0.168 0.000 1.121 205 V CB -0.236 31.707 31.823 0.200 0.000 0.714 205 V HN 0.295 nan 8.190 nan 0.000 0.487 206 L N -0.534 120.794 121.223 0.174 0.000 2.591 206 L HA 0.194 4.534 4.340 0.001 0.000 0.228 206 L C 0.554 177.517 176.870 0.154 0.000 1.133 206 L CA 0.184 55.101 54.840 0.129 0.000 0.880 206 L CB -0.089 42.072 42.059 0.170 0.000 1.033 206 L HN 0.258 nan 8.230 nan 0.000 0.450 207 L N 0.136 121.453 121.223 0.157 0.000 2.399 207 L HA 0.205 4.545 4.340 0.001 0.000 0.266 207 L C 0.776 177.714 176.870 0.114 0.000 1.114 207 L CA -0.383 54.538 54.840 0.134 0.000 0.804 207 L CB 0.576 42.719 42.059 0.139 0.000 1.146 207 L HN -0.020 nan 8.230 nan 0.000 0.451 208 K N 1.521 121.966 120.400 0.074 0.000 2.484 208 K HA 0.084 4.404 4.320 0.001 0.000 0.280 208 K C 0.057 176.657 176.600 -0.000 0.000 1.013 208 K CA -0.135 56.177 56.287 0.042 0.000 1.029 208 K CB 0.703 33.210 32.500 0.012 0.000 0.902 208 K HN 0.791 nan 8.250 nan 0.000 0.481 209 G N 1.717 110.488 108.800 -0.049 0.000 2.483 209 G HA2 0.288 4.248 3.960 0.001 0.000 0.248 209 G HA3 0.288 4.248 3.960 0.001 0.000 0.248 209 G C 0.591 175.410 174.900 -0.136 0.000 1.248 209 G CA -0.344 44.673 45.100 -0.138 0.000 0.838 209 G HN 0.572 nan 8.290 nan 0.000 0.566 210 V N -0.479 119.347 119.914 -0.147 0.000 3.398 210 V HA 0.717 4.837 4.120 0.001 0.000 0.298 210 V C 0.783 176.811 176.094 -0.110 0.000 1.496 210 V CA 0.663 62.903 62.300 -0.100 0.000 1.044 210 V CB -0.144 31.648 31.823 -0.052 0.000 0.880 210 V HN 1.400 nan 8.190 nan 0.000 0.443 211 G N -0.138 108.531 108.800 -0.218 0.000 2.341 211 G HA2 0.559 4.519 3.960 0.001 0.000 0.299 211 G HA3 0.559 4.519 3.960 0.001 0.000 0.299 211 G C -2.114 172.561 174.900 -0.375 0.000 1.274 211 G CA -0.629 44.387 45.100 -0.141 0.000 0.853 211 G HN 0.074 nan 8.290 nan 0.000 0.493 212 F N 0.414 120.358 119.950 -0.010 0.000 2.551 212 F HA 0.551 5.078 4.527 0.001 0.000 0.316 212 F C -1.304 174.497 175.800 0.002 0.000 1.089 212 F CA -1.798 56.197 58.000 -0.007 0.000 0.915 212 F CB 2.783 41.776 39.000 -0.012 0.000 1.186 212 F HN 0.256 nan 8.300 nan 0.000 0.456 213 P HA 0.060 nan 4.420 nan 0.000 0.223 213 P C 0.521 177.880 177.300 0.098 0.000 1.151 213 P CA 1.124 64.286 63.100 0.103 0.000 0.787 213 P CB 0.666 32.416 31.700 0.083 0.000 0.788 214 G N -0.183 108.691 108.800 0.124 0.000 3.259 214 G HA2 0.361 4.321 3.960 0.001 0.000 0.193 214 G HA3 0.361 4.321 3.960 0.001 0.000 0.193 214 G C -0.495 174.434 174.900 0.049 0.000 1.457 214 G CA 0.130 45.272 45.100 0.071 0.000 0.771 214 G HN 0.267 nan 8.290 nan 0.000 0.765 215 S N -0.407 115.289 115.700 -0.006 0.000 2.693 215 S HA 0.622 5.092 4.470 0.001 0.000 0.276 215 S C 0.779 175.213 174.600 -0.275 0.000 1.192 215 S CA 0.246 58.389 58.200 -0.094 0.000 0.994 215 S CB 1.789 64.936 63.200 -0.088 0.000 1.012 215 S HN 1.244 nan 8.310 nan 0.000 0.550 216 A N 0.401 122.948 122.820 -0.456 0.000 2.308 216 A HA 0.284 4.605 4.320 0.001 0.000 0.217 216 A C 0.251 177.338 177.584 -0.829 0.000 1.216 216 A CA -0.231 51.161 52.037 -1.076 0.000 0.864 216 A CB -0.703 17.836 19.000 -0.769 0.000 0.902 216 A HN 0.830 nan 8.150 nan 0.000 0.499 217 N N 0.203 118.660 118.700 -0.405 0.000 2.646 217 N HA 0.182 4.922 4.740 0.001 0.000 0.303 217 N C -1.323 174.104 175.510 -0.137 0.000 1.921 217 N CA -0.442 52.458 53.050 -0.250 0.000 0.872 217 N CB -0.626 37.758 38.487 -0.171 0.000 1.327 217 N HN 0.275 nan 8.380 nan 0.000 0.492 218 N N -0.181 118.452 118.700 -0.111 0.000 2.499 218 N HA 0.267 5.007 4.740 0.001 0.000 0.281 218 N C -0.441 175.066 175.510 -0.004 0.000 1.098 218 N CA -0.313 52.716 53.050 -0.035 0.000 0.979 218 N CB 0.770 39.257 38.487 -0.000 0.000 1.121 218 N HN 0.079 nan 8.380 nan 0.000 0.466 219 T N 1.201 115.760 114.554 0.008 0.000 2.934 219 T HA 0.238 4.588 4.350 0.001 0.000 0.306 219 T C 1.455 176.180 174.700 0.040 0.000 1.042 219 T CA 0.978 63.091 62.100 0.022 0.000 1.145 219 T CB 0.365 69.249 68.868 0.026 0.000 0.982 219 T HN 0.836 nan 8.240 nan 0.000 0.544 220 G N 2.319 111.143 108.800 0.040 0.000 2.179 220 G HA2 -0.224 3.737 3.960 0.001 0.000 0.260 220 G HA3 -0.224 3.737 3.960 0.001 0.000 0.260 220 G C -0.082 174.845 174.900 0.044 0.000 0.977 220 G CA 0.375 45.503 45.100 0.048 0.000 0.641 220 G HN 0.810 nan 8.290 nan 0.000 0.533 221 E N -0.238 119.995 120.200 0.055 0.000 2.227 221 E HA 0.672 5.022 4.350 0.001 0.000 0.268 221 E C 0.289 176.949 176.600 0.099 0.000 0.907 221 E CA -0.420 56.030 56.400 0.083 0.000 0.786 221 E CB 2.360 32.143 29.700 0.138 0.000 1.191 221 E HN 0.710 nan 8.360 nan 0.000 0.411 222 V N -0.208 119.730 119.914 0.040 0.000 3.164 222 V HA 0.866 4.987 4.120 0.001 0.000 0.313 222 V C -0.055 175.904 176.094 -0.224 0.000 1.188 222 V CA -0.868 61.404 62.300 -0.046 0.000 1.058 222 V CB 0.997 32.608 31.823 -0.353 0.000 1.110 222 V HN 0.838 nan 8.190 nan 0.000 0.453 223 A N 0.972 123.468 122.820 -0.542 0.000 2.483 223 A HA 0.567 4.888 4.320 0.001 0.000 0.238 223 A C 0.488 177.744 177.584 -0.548 0.000 1.070 223 A CA 0.732 52.145 52.037 -1.041 0.000 0.770 223 A CB 0.113 18.648 19.000 -0.775 0.000 1.008 223 A HN 1.561 nan 8.150 nan 0.000 0.497 224 S N 1.790 117.197 115.700 -0.489 0.000 2.565 224 S HA 0.621 5.092 4.470 0.001 0.000 0.290 224 S C -1.650 172.858 174.600 -0.153 0.000 1.150 224 S CA -1.491 56.577 58.200 -0.220 0.000 1.058 224 S CB 1.289 64.404 63.200 -0.142 0.000 1.032 224 S HN 0.526 nan 8.310 nan 0.000 0.510 225 P HA 0.168 nan 4.420 nan 0.000 0.231 225 P C -0.051 177.241 177.300 -0.012 0.000 1.168 225 P CA 0.540 63.625 63.100 -0.025 0.000 0.779 225 P CB 0.029 31.745 31.700 0.026 0.000 0.844 226 L N 1.132 122.347 121.223 -0.014 0.000 2.625 226 L HA 0.320 4.661 4.340 0.001 0.000 0.255 226 L C -1.854 175.015 176.870 -0.002 0.000 1.493 226 L CA -1.265 53.576 54.840 0.001 0.000 0.796 226 L CB 1.788 43.855 42.059 0.015 0.000 1.064 226 L HN -0.200 nan 8.230 nan 0.000 0.516 227 P HA -0.061 nan 4.420 nan 0.000 0.245 227 P C 0.558 177.870 177.300 0.020 0.000 1.206 227 P CA 0.068 63.168 63.100 0.001 0.000 0.781 227 P CB 0.542 32.234 31.700 -0.014 0.000 0.994 228 L N 1.101 122.333 121.223 0.016 0.000 2.462 228 L HA 0.478 4.818 4.340 0.001 0.000 0.272 228 L C 0.303 177.185 176.870 0.021 0.000 1.166 228 L CA 0.506 55.358 54.840 0.020 0.000 0.880 228 L CB -0.100 41.970 42.059 0.017 0.000 1.142 228 L HN -0.024 nan 8.230 nan 0.000 0.473 229 G N 2.464 111.277 108.800 0.022 0.000 2.680 229 G HA2 0.666 4.626 3.960 0.001 0.000 0.290 229 G HA3 0.666 4.626 3.960 0.001 0.000 0.290 229 G C -1.670 173.238 174.900 0.014 0.000 1.355 229 G CA -0.449 44.663 45.100 0.020 0.000 0.903 229 G HN 0.700 nan 8.290 nan 0.000 0.474 230 S N -1.195 114.511 115.700 0.010 0.000 2.562 230 S HA 0.624 5.095 4.470 0.001 0.000 0.274 230 S C 0.624 175.220 174.600 -0.007 0.000 1.160 230 S CA 1.037 59.239 58.200 0.004 0.000 0.933 230 S CB 0.769 63.975 63.200 0.009 0.000 1.100 230 S HN 2.611 nan 8.310 nan 0.000 0.468 231 G N 3.661 112.451 108.800 -0.016 0.000 2.611 231 G HA2 -0.334 3.626 3.960 0.001 0.000 0.301 231 G HA3 -0.334 3.626 3.960 0.001 0.000 0.301 231 G C 1.120 175.979 174.900 -0.068 0.000 1.233 231 G CA 1.245 46.325 45.100 -0.034 0.000 0.993 231 G HN 1.969 nan 8.290 nan 0.000 0.553 232 S N -0.013 115.621 115.700 -0.110 0.000 2.562 232 S HA 0.203 4.673 4.470 0.001 0.000 0.221 232 S C 0.580 175.079 174.600 -0.169 0.000 0.975 232 S CA 1.252 59.296 58.200 -0.259 0.000 0.918 232 S CB 0.288 63.203 63.200 -0.475 0.000 0.772 232 S HN 0.481 nan 8.310 nan 0.000 0.531 233 D N 3.466 123.854 120.400 -0.021 0.000 2.551 233 D HA 0.235 4.875 4.640 0.001 0.000 0.223 233 D C -0.308 176.016 176.300 0.040 0.000 1.144 233 D CA 0.265 54.302 54.000 0.061 0.000 1.025 233 D CB 0.157 40.996 40.800 0.065 0.000 1.085 233 D HN 0.235 nan 8.370 nan 0.000 0.506 234 T N 0.307 114.887 114.554 0.044 0.000 2.930 234 T HA 0.355 4.705 4.350 0.001 0.000 0.306 234 T C 1.171 175.888 174.700 0.028 0.000 1.045 234 T CA -0.444 61.674 62.100 0.030 0.000 1.134 234 T CB 1.118 70.007 68.868 0.034 0.000 0.961 234 T HN 0.299 nan 8.240 nan 0.000 0.545 235 G N 1.206 110.022 108.800 0.027 0.000 2.636 235 G HA2 0.246 4.206 3.960 0.001 0.000 0.246 235 G HA3 0.246 4.206 3.960 0.001 0.000 0.246 235 G C -0.143 174.770 174.900 0.021 0.000 1.216 235 G CA -0.584 44.530 45.100 0.024 0.000 0.854 235 G HN 0.822 nan 8.290 nan 0.000 0.572 236 E N -0.304 119.905 120.200 0.016 0.000 2.414 236 E HA 0.180 4.530 4.350 0.001 0.000 0.263 236 E C 0.233 176.867 176.600 0.057 0.000 1.000 236 E CA -0.065 56.351 56.400 0.027 0.000 0.914 236 E CB 0.390 30.102 29.700 0.020 0.000 0.948 236 E HN 0.404 nan 8.360 nan 0.000 0.444 237 M N 4.490 124.164 119.600 0.123 0.000 2.472 237 M HA 0.350 4.830 4.480 0.001 0.000 0.331 237 M C -0.810 175.585 176.300 0.158 0.000 1.170 237 M CA -0.680 54.720 55.300 0.166 0.000 1.009 237 M CB 1.265 34.024 32.600 0.266 0.000 1.672 237 M HN 0.459 nan 8.290 nan 0.000 0.453 238 R N 4.530 125.054 120.500 0.039 0.000 2.437 238 R HA 0.574 4.914 4.340 0.001 0.000 0.310 238 R C -1.689 174.555 176.300 -0.092 0.000 0.955 238 R CA -0.603 55.468 56.100 -0.049 0.000 0.851 238 R CB 1.198 31.456 30.300 -0.070 0.000 1.161 238 R HN 0.830 nan 8.270 nan 0.000 0.446 239 L N 3.930 125.023 121.223 -0.215 0.000 2.371 239 L HA 0.093 4.433 4.340 0.001 0.000 0.272 239 L C 1.756 178.595 176.870 -0.052 0.000 1.124 239 L CA -0.243 54.502 54.840 -0.159 0.000 0.816 239 L CB 1.497 43.389 42.059 -0.278 0.000 1.129 239 L HN 0.743 nan 8.230 nan 0.000 0.448 240 Q N 1.661 121.456 119.800 -0.007 0.000 2.112 240 Q HA -0.209 4.132 4.340 0.001 0.000 0.206 240 Q C 1.960 178.006 176.000 0.077 0.000 0.987 240 Q CA 2.450 58.280 55.803 0.045 0.000 0.858 240 Q CB 0.103 28.867 28.738 0.043 0.000 0.905 240 Q HN 0.929 nan 8.270 nan 0.000 0.420 241 S N 0.434 116.153 115.700 0.031 0.000 2.368 241 S HA -0.142 4.328 4.470 0.001 0.000 0.225 241 S C 1.512 176.084 174.600 -0.047 0.000 1.030 241 S CA 1.313 59.524 58.200 0.019 0.000 0.999 241 S CB -0.332 62.894 63.200 0.043 0.000 0.844 241 S HN 0.305 nan 8.310 nan 0.000 0.459 242 D N 0.943 121.297 120.400 -0.076 0.000 2.117 242 D HA 0.001 4.641 4.640 0.001 0.000 0.198 242 D C 1.560 177.602 176.300 -0.430 0.000 0.982 242 D CA 0.875 54.756 54.000 -0.199 0.000 0.828 242 D CB -0.534 40.226 40.800 -0.066 0.000 0.967 242 D HN 0.468 nan 8.370 nan 0.000 0.464 243 F N 1.702 121.454 119.950 -0.330 0.000 2.095 243 F HA -0.214 4.314 4.527 0.000 0.000 0.298 243 F C 2.218 177.870 175.800 -0.248 0.000 1.104 243 F CA 1.844 59.673 58.000 -0.285 0.000 1.232 243 F CB -0.094 38.842 39.000 -0.106 0.000 0.987 243 F HN -0.059 nan 8.300 nan 0.000 0.475 244 A N 0.706 123.492 122.820 -0.056 0.000 1.877 244 A HA -0.151 4.169 4.320 0.001 0.000 0.216 244 A C 2.233 179.659 177.584 -0.263 0.000 1.186 244 A CA 1.836 53.800 52.037 -0.121 0.000 0.620 244 A CB -1.256 17.753 19.000 0.016 0.000 0.822 244 A HN 0.510 nan 8.150 nan 0.000 0.443 245 L N -0.718 120.328 121.223 -0.294 0.000 2.079 245 L HA -0.224 4.116 4.340 0.001 0.000 0.210 245 L C 3.009 179.585 176.870 -0.489 0.000 1.081 245 L CA 1.123 55.795 54.840 -0.280 0.000 0.752 245 L CB -0.452 41.520 42.059 -0.146 0.000 0.896 245 L HN 0.439 nan 8.230 nan 0.000 0.433 246 A N -1.438 120.762 122.820 -1.033 0.000 2.067 246 A HA -0.174 4.146 4.320 0.001 0.000 0.219 246 A C 1.892 178.925 177.584 -0.919 0.000 1.158 246 A CA 1.286 52.523 52.037 -1.335 0.000 0.661 246 A CB -0.480 17.347 19.000 -1.956 0.000 0.801 246 A HN 0.473 nan 8.150 nan 0.000 0.452 247 H N -1.241 117.520 119.070 -0.515 0.000 2.874 247 H HA 0.110 4.666 4.556 0.000 0.000 0.264 247 H C -0.149 175.042 175.328 -0.228 0.000 1.007 247 H CA -0.255 55.562 56.048 -0.385 0.000 1.207 247 H CB 0.176 29.610 29.762 -0.546 0.000 1.487 247 H HN 0.483 nan 8.280 nan 0.000 0.505 248 D N 1.950 122.284 120.400 -0.109 0.000 2.382 248 D HA -0.003 4.637 4.640 0.001 0.000 0.245 248 D C -1.639 174.646 176.300 -0.026 0.000 1.120 248 D CA -1.608 52.362 54.000 -0.050 0.000 0.890 248 D CB 2.363 43.136 40.800 -0.045 0.000 1.201 248 D HN 0.006 nan 8.370 nan 0.000 0.433 249 P HA -0.079 nan 4.420 nan 0.000 0.218 249 P C 1.056 178.364 177.300 0.012 0.000 1.148 249 P CA 1.100 64.202 63.100 0.004 0.000 0.822 249 P CB 0.235 31.939 31.700 0.006 0.000 0.784 250 R N -1.079 119.430 120.500 0.015 0.000 2.148 250 R HA -0.020 4.320 4.340 0.001 0.000 0.227 250 R C 1.547 177.870 176.300 0.039 0.000 1.103 250 R CA 1.904 58.021 56.100 0.028 0.000 0.983 250 R CB -0.613 29.705 30.300 0.031 0.000 0.874 250 R HN 0.344 nan 8.270 nan 0.000 0.451 251 T N -4.594 109.978 114.554 0.030 0.000 3.016 251 T HA 0.336 4.687 4.350 0.001 0.000 0.271 251 T C 1.686 176.429 174.700 0.073 0.000 0.968 251 T CA 0.184 62.319 62.100 0.058 0.000 0.891 251 T CB 0.651 69.552 68.868 0.056 0.000 1.149 251 T HN 0.094 nan 8.240 nan 0.000 0.524 252 A N 1.130 123.965 122.820 0.024 0.000 1.908 252 A HA -0.054 4.266 4.320 0.001 0.000 0.218 252 A C 2.457 180.089 177.584 0.080 0.000 1.181 252 A CA 1.672 53.721 52.037 0.020 0.000 0.627 252 A CB -1.412 17.578 19.000 -0.016 0.000 0.818 252 A HN 0.672 nan 8.150 nan 0.000 0.445 253 c N -0.901 117.731 118.600 0.054 0.000 2.450 253 c HA 0.041 4.611 4.570 0.001 0.000 0.279 253 c C 2.535 176.626 174.090 0.001 0.000 1.335 253 c CA 0.668 57.020 56.329 0.039 0.000 1.749 253 c CB -1.332 41.193 42.510 0.024 0.000 1.963 253 c HN 0.624 nan 8.230 nan 0.000 0.501 254 I N -0.191 120.384 120.570 0.008 0.000 2.226 254 I HA -0.234 3.937 4.170 0.001 0.000 0.245 254 I C 2.626 178.580 176.117 -0.271 0.000 1.100 254 I CA 1.487 62.714 61.300 -0.122 0.000 1.374 254 I CB -0.492 37.510 38.000 0.004 0.000 1.057 254 I HN 0.581 nan 8.210 nan 0.000 0.413 255 W N 2.042 123.249 121.300 -0.155 0.000 2.333 255 W HA -0.272 4.388 4.660 0.000 0.000 0.316 255 W C 2.471 178.940 176.519 -0.083 0.000 1.215 255 W CA 2.006 59.339 57.345 -0.021 0.000 1.278 255 W CB -0.450 29.042 29.460 0.053 0.000 1.154 255 W HN 0.257 nan 8.180 nan 0.000 0.486 256 Q N -0.078 119.846 119.800 0.208 0.000 2.170 256 Q HA -0.112 4.229 4.340 0.001 0.000 0.203 256 Q C 2.342 178.281 176.000 -0.102 0.000 0.976 256 Q CA 2.023 57.908 55.803 0.136 0.000 0.858 256 Q CB -0.813 28.033 28.738 0.181 0.000 0.907 256 Q HN 0.261 nan 8.270 nan 0.000 0.433 257 G N -0.350 108.316 108.800 -0.222 0.000 2.499 257 G HA2 -0.239 3.722 3.960 0.001 0.000 0.221 257 G HA3 -0.239 3.722 3.960 0.001 0.000 0.221 257 G C 0.919 175.649 174.900 -0.284 0.000 1.109 257 G CA 0.566 45.512 45.100 -0.256 0.000 0.749 257 G HN 0.420 nan 8.290 nan 0.000 0.568 258 F N 0.101 119.807 119.950 -0.406 0.000 2.754 258 F HA 0.228 4.755 4.527 0.000 0.000 0.297 258 F C 1.064 176.601 175.800 -0.438 0.000 1.122 258 F CA -0.714 56.914 58.000 -0.620 0.000 1.400 258 F CB 0.393 38.488 39.000 -1.509 0.000 1.117 258 F HN -0.227 nan 8.300 nan 0.000 0.587 259 V N 2.019 121.829 119.914 -0.174 0.000 2.557 259 V HA -0.134 3.986 4.120 0.001 0.000 0.301 259 V C 0.726 176.729 176.094 -0.151 0.000 1.026 259 V CA 0.476 62.699 62.300 -0.128 0.000 1.137 259 V CB -0.053 31.657 31.823 -0.188 0.000 0.917 259 V HN 0.598 nan 8.190 nan 0.000 0.484 260 N N 3.018 121.652 118.700 -0.110 0.000 2.741 260 N HA -0.177 4.563 4.740 0.001 0.000 0.251 260 N C 0.075 175.557 175.510 -0.046 0.000 1.112 260 N CA 1.294 54.288 53.050 -0.093 0.000 0.750 260 N CB -0.433 37.970 38.487 -0.140 0.000 1.119 260 N HN 0.810 nan 8.380 nan 0.000 0.561 261 E N 0.203 120.402 120.200 -0.002 0.000 3.406 261 E HA 0.098 4.448 4.350 0.001 0.000 0.210 261 E C 0.807 177.467 176.600 0.100 0.000 1.167 261 E CA -0.323 56.131 56.400 0.091 0.000 1.132 261 E CB 1.039 30.877 29.700 0.230 0.000 1.309 261 E HN 0.436 nan 8.360 nan 0.000 0.424 262 Q N 1.981 121.806 119.800 0.042 0.000 2.030 262 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 262 Q C 1.760 177.795 176.000 0.060 0.000 0.986 262 Q CA 2.534 58.351 55.803 0.023 0.000 0.843 262 Q CB -0.077 28.673 28.738 0.020 0.000 0.904 262 Q HN 0.413 nan 8.270 nan 0.000 0.420 263 A N -0.636 122.241 122.820 0.095 0.000 1.968 263 A HA -0.064 4.256 4.320 0.001 0.000 0.217 263 A C 1.932 179.629 177.584 0.188 0.000 1.169 263 A CA 1.113 53.216 52.037 0.111 0.000 0.638 263 A CB -0.840 18.216 19.000 0.094 0.000 0.812 263 A HN 0.571 nan 8.150 nan 0.000 0.446 264 F N 0.213 120.194 119.950 0.053 0.000 2.146 264 F HA -0.100 4.427 4.527 0.001 0.000 0.298 264 F C 2.150 178.014 175.800 0.106 0.000 1.096 264 F CA 1.665 59.737 58.000 0.119 0.000 1.275 264 F CB -0.454 38.637 39.000 0.151 0.000 1.008 264 F HN 0.278 nan 8.300 nan 0.000 0.480 265 M N 0.055 119.577 119.600 -0.130 0.000 2.067 265 M HA -0.154 4.326 4.480 0.001 0.000 0.260 265 M C 2.299 178.414 176.300 -0.309 0.000 1.069 265 M CA 2.217 57.120 55.300 -0.662 0.000 1.117 265 M CB -0.515 31.718 32.600 -0.611 0.000 1.334 265 M HN 0.202 nan 8.290 nan 0.000 0.407 266 A N 0.247 123.042 122.820 -0.040 0.000 1.877 266 A HA -0.078 4.243 4.320 0.001 0.000 0.216 266 A C 2.299 179.937 177.584 0.090 0.000 1.186 266 A CA 2.056 54.151 52.037 0.097 0.000 0.620 266 A CB -1.227 17.827 19.000 0.091 0.000 0.822 266 A HN 0.688 nan 8.150 nan 0.000 0.443 267 A N -0.684 122.185 122.820 0.081 0.000 1.930 267 A HA -0.034 4.287 4.320 0.001 0.000 0.217 267 A C 2.417 180.057 177.584 0.094 0.000 1.175 267 A CA 1.998 54.097 52.037 0.104 0.000 0.627 267 A CB -0.723 18.369 19.000 0.153 0.000 0.815 267 A HN 0.458 nan 8.150 nan 0.000 0.443 268 S N -1.115 114.606 115.700 0.036 0.000 2.368 268 S HA -0.086 4.385 4.470 0.001 0.000 0.224 268 S C 1.641 176.216 174.600 -0.042 0.000 1.029 268 S CA 1.243 59.450 58.200 0.011 0.000 0.988 268 S CB -0.492 62.597 63.200 -0.185 0.000 0.838 268 S HN 0.631 nan 8.310 nan 0.000 0.462 269 F N 2.767 122.590 119.950 -0.211 0.000 2.134 269 F HA -0.076 4.451 4.527 0.001 0.000 0.299 269 F C 2.409 178.174 175.800 -0.058 0.000 1.097 269 F CA 1.488 59.406 58.000 -0.138 0.000 1.264 269 F CB -0.249 38.728 39.000 -0.038 0.000 1.001 269 F HN 0.002 nan 8.300 nan 0.000 0.479 270 R N 0.243 120.745 120.500 0.003 0.000 2.073 270 R HA -0.143 4.197 4.340 0.001 0.000 0.234 270 R C 2.384 178.635 176.300 -0.082 0.000 1.134 270 R CA 1.346 57.403 56.100 -0.073 0.000 0.952 270 R CB -0.677 29.632 30.300 0.015 0.000 0.850 270 R HN 0.373 nan 8.270 nan 0.000 0.433 271 A N 0.576 123.391 122.820 -0.009 0.000 1.902 271 A HA -0.105 4.215 4.320 0.001 0.000 0.217 271 A C 2.302 179.900 177.584 0.023 0.000 1.181 271 A CA 1.729 53.786 52.037 0.033 0.000 0.623 271 A CB -0.678 18.383 19.000 0.102 0.000 0.818 271 A HN 0.540 nan 8.150 nan 0.000 0.443 272 A N -1.241 121.567 122.820 -0.020 0.000 1.968 272 A HA 0.000 4.320 4.320 0.001 0.000 0.217 272 A C 2.112 179.687 177.584 -0.014 0.000 1.169 272 A CA 1.619 53.678 52.037 0.037 0.000 0.638 272 A CB -0.404 18.565 19.000 -0.052 0.000 0.812 272 A HN 0.409 nan 8.150 nan 0.000 0.446 273 M N -0.318 119.130 119.600 -0.253 0.000 2.296 273 M HA -0.074 4.406 4.480 0.001 0.000 0.265 273 M C 2.366 178.640 176.300 -0.044 0.000 1.064 273 M CA 1.561 56.719 55.300 -0.236 0.000 1.109 273 M CB -1.331 30.985 32.600 -0.473 0.000 1.396 273 M HN 0.528 nan 8.290 nan 0.000 0.430 274 S N 0.437 116.122 115.700 -0.025 0.000 2.370 274 S HA -0.200 4.270 4.470 0.001 0.000 0.226 274 S C 2.009 176.644 174.600 0.058 0.000 1.033 274 S CA 1.721 59.932 58.200 0.018 0.000 1.011 274 S CB 0.003 63.212 63.200 0.016 0.000 0.852 274 S HN 0.484 nan 8.310 nan 0.000 0.457 275 K N -0.024 120.437 120.400 0.102 0.000 2.031 275 K HA 0.018 4.338 4.320 0.001 0.000 0.205 275 K C 2.154 178.897 176.600 0.237 0.000 1.049 275 K CA 1.206 57.568 56.287 0.125 0.000 0.939 275 K CB -0.407 32.161 32.500 0.114 0.000 0.717 275 K HN 0.345 nan 8.250 nan 0.000 0.438 276 L N 1.069 122.520 121.223 0.381 0.000 2.042 276 L HA -0.092 4.248 4.340 0.001 0.000 0.210 276 L C 2.090 179.113 176.870 0.255 0.000 1.076 276 L CA 2.154 57.244 54.840 0.416 0.000 0.749 276 L CB -0.664 41.551 42.059 0.261 0.000 0.893 276 L HN 0.242 nan 8.230 nan 0.000 0.432 277 A N -1.207 121.717 122.820 0.174 0.000 2.172 277 A HA -0.012 4.308 4.320 0.001 0.000 0.216 277 A C 1.712 179.387 177.584 0.151 0.000 1.154 277 A CA 1.330 53.461 52.037 0.156 0.000 0.701 277 A CB -0.810 18.264 19.000 0.123 0.000 0.789 277 A HN 0.541 nan 8.150 nan 0.000 0.465 278 V N -3.200 116.806 119.914 0.152 0.000 3.176 278 V HA 0.407 4.528 4.120 0.001 0.000 0.332 278 V C 0.279 176.510 176.094 0.228 0.000 1.414 278 V CA -0.588 61.821 62.300 0.182 0.000 1.133 278 V CB -0.883 30.993 31.823 0.089 0.000 1.088 278 V HN 0.262 nan 8.190 nan 0.000 0.473 279 L N 2.458 123.797 121.223 0.193 0.000 2.525 279 L HA 0.421 4.762 4.340 0.001 0.000 0.278 279 L C 1.585 178.473 176.870 0.029 0.000 1.218 279 L CA 1.602 56.513 54.840 0.118 0.000 0.878 279 L CB 0.188 42.338 42.059 0.151 0.000 1.127 279 L HN 0.622 nan 8.230 nan 0.000 0.492 280 G N 1.725 110.463 108.800 -0.103 0.000 2.175 280 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 280 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 280 G C -0.061 174.457 174.900 -0.638 0.000 0.982 280 G CA -0.023 44.872 45.100 -0.341 0.000 0.641 280 G HN 0.758 nan 8.290 nan 0.000 0.527 281 H N -0.883 118.195 119.070 0.013 0.000 2.928 281 H HA 0.614 5.170 4.556 0.000 0.000 0.371 281 H C -0.401 174.922 175.328 -0.008 0.000 1.186 281 H CA -0.818 55.232 56.048 0.003 0.000 1.134 281 H CB 1.114 30.876 29.762 -0.000 0.000 1.824 281 H HN 0.073 nan 8.280 nan 0.000 0.554 282 N N 1.530 120.301 118.700 0.118 0.000 2.408 282 N HA 0.017 4.758 4.740 0.001 0.000 0.257 282 N C 0.917 176.454 175.510 0.043 0.000 1.064 282 N CA -0.316 52.767 53.050 0.055 0.000 0.952 282 N CB 0.754 39.260 38.487 0.032 0.000 1.093 282 N HN 0.767 nan 8.380 nan 0.000 0.490 283 R N 3.013 123.526 120.500 0.022 0.000 2.241 283 R HA -0.064 4.276 4.340 0.001 0.000 0.224 283 R C 0.343 176.629 176.300 -0.025 0.000 1.101 283 R CA 1.420 57.516 56.100 -0.008 0.000 0.995 283 R CB -0.317 29.975 30.300 -0.013 0.000 0.870 283 R HN 0.450 nan 8.270 nan 0.000 0.463 284 N N 0.155 118.847 118.700 -0.013 0.000 2.515 284 N HA -0.008 4.733 4.740 0.001 0.000 0.185 284 N C 0.507 176.003 175.510 -0.023 0.000 1.109 284 N CA 0.842 53.882 53.050 -0.017 0.000 0.903 284 N CB 0.394 38.876 38.487 -0.008 0.000 0.969 284 N HN 0.151 nan 8.380 nan 0.000 0.450 285 S N -0.092 115.595 115.700 -0.021 0.000 2.540 285 S HA 0.256 4.726 4.470 0.001 0.000 0.218 285 S C 0.174 174.737 174.600 -0.061 0.000 0.977 285 S CA -0.088 58.097 58.200 -0.026 0.000 0.918 285 S CB 0.331 63.533 63.200 0.003 0.000 0.806 285 S HN 0.164 nan 8.310 nan 0.000 0.496 286 L N 1.293 122.461 121.223 -0.092 0.000 2.334 286 L HA 0.616 4.956 4.340 0.001 0.000 0.276 286 L C -0.294 176.468 176.870 -0.180 0.000 1.014 286 L CA -0.680 54.067 54.840 -0.156 0.000 0.815 286 L CB 1.567 43.505 42.059 -0.202 0.000 1.268 286 L HN 0.133 nan 8.230 nan 0.000 0.428 287 I N 1.095 121.526 120.570 -0.231 0.000 2.677 287 I HA 0.192 4.363 4.170 0.001 0.000 0.305 287 I C -0.275 175.674 176.117 -0.279 0.000 0.988 287 I CA -0.220 60.906 61.300 -0.290 0.000 1.260 287 I CB 1.487 39.251 38.000 -0.393 0.000 1.410 287 I HN 0.589 nan 8.210 nan 0.000 0.523 288 D N 5.698 125.986 120.400 -0.187 0.000 2.347 288 D HA 0.204 4.845 4.640 0.001 0.000 0.235 288 D C -0.598 175.709 176.300 0.011 0.000 1.149 288 D CA -0.197 53.758 54.000 -0.074 0.000 0.850 288 D CB 0.802 41.623 40.800 0.034 0.000 1.061 288 D HN 0.519 nan 8.370 nan 0.000 0.487 289 c N 2.927 121.476 118.600 -0.085 0.000 2.742 289 c HA 0.169 4.739 4.570 0.001 0.000 0.283 289 c C 2.062 176.241 174.090 0.149 0.000 1.451 289 c CA -0.379 55.964 56.329 0.024 0.000 1.785 289 c CB -1.217 41.228 42.510 -0.108 0.000 2.664 289 c HN 0.593 nan 8.230 nan 0.000 0.544 290 S N 2.171 117.941 115.700 0.116 0.000 2.419 290 S HA -0.166 4.304 4.470 0.001 0.000 0.235 290 S C 1.777 176.454 174.600 0.129 0.000 1.019 290 S CA 1.830 60.117 58.200 0.144 0.000 0.982 290 S CB -0.226 63.026 63.200 0.086 0.000 0.789 290 S HN 0.861 nan 8.310 nan 0.000 0.490 291 D N 1.421 121.885 120.400 0.107 0.000 2.363 291 D HA -0.057 4.583 4.640 0.001 0.000 0.220 291 D C 1.481 177.847 176.300 0.110 0.000 0.994 291 D CA 0.716 54.769 54.000 0.088 0.000 0.890 291 D CB -0.346 40.492 40.800 0.064 0.000 0.906 291 D HN 0.509 nan 8.370 nan 0.000 0.530 292 V N -2.056 117.949 119.914 0.153 0.000 3.621 292 V HA 0.228 4.349 4.120 0.001 0.000 0.285 292 V C 0.671 176.932 176.094 0.279 0.000 1.346 292 V CA -0.616 61.798 62.300 0.190 0.000 1.104 292 V CB -0.193 31.738 31.823 0.182 0.000 0.913 292 V HN -0.128 nan 8.190 nan 0.000 0.432 293 V N 2.979 123.027 119.914 0.223 0.000 2.572 293 V HA 0.277 4.397 4.120 0.001 0.000 0.291 293 V C -1.848 174.264 176.094 0.030 0.000 1.039 293 V CA -1.098 61.260 62.300 0.096 0.000 1.055 293 V CB 0.614 32.461 31.823 0.041 0.000 0.969 293 V HN 0.387 nan 8.190 nan 0.000 0.482 294 P HA 0.079 nan 4.420 nan 0.000 0.269 294 P C -0.396 176.887 177.300 -0.028 0.000 1.215 294 P CA -0.147 62.942 63.100 -0.018 0.000 0.780 294 P CB 0.379 32.050 31.700 -0.048 0.000 0.898 295 V N 5.029 124.935 119.914 -0.013 0.000 2.572 295 V HA 0.129 4.249 4.120 0.001 0.000 0.291 295 V C -1.495 174.578 176.094 -0.035 0.000 1.039 295 V CA -0.980 61.309 62.300 -0.017 0.000 1.055 295 V CB 0.041 31.861 31.823 -0.005 0.000 0.969 295 V HN 0.638 nan 8.190 nan 0.000 0.482 296 P HA 0.201 nan 4.420 nan 0.000 0.274 296 P C -0.632 176.641 177.300 -0.045 0.000 1.231 296 P CA -0.628 62.433 63.100 -0.065 0.000 0.790 296 P CB 0.693 32.342 31.700 -0.086 0.000 0.951 297 K N 2.685 123.058 120.400 -0.046 0.000 2.451 297 K HA 0.142 4.463 4.320 0.001 0.000 0.280 297 K C -1.817 174.771 176.600 -0.020 0.000 1.020 297 K CA -1.071 55.200 56.287 -0.027 0.000 1.008 297 K CB -0.389 32.097 32.500 -0.023 0.000 0.917 297 K HN 0.435 nan 8.250 nan 0.000 0.478 298 P HA 0.068 nan 4.420 nan 0.000 0.277 298 P C -0.761 176.543 177.300 0.007 0.000 1.240 298 P CA -0.393 62.706 63.100 -0.002 0.000 0.798 298 P CB 0.974 32.675 31.700 0.001 0.000 0.979 299 A N 1.884 124.712 122.820 0.014 0.000 2.366 299 A HA 0.264 4.584 4.320 0.001 0.000 0.250 299 A C 1.668 179.261 177.584 0.015 0.000 1.099 299 A CA 0.493 52.542 52.037 0.020 0.000 0.794 299 A CB -0.765 18.250 19.000 0.025 0.000 1.056 299 A HN 0.667 nan 8.150 nan 0.000 0.499 300 T N -2.425 112.139 114.554 0.016 0.000 2.995 300 T HA 0.324 4.674 4.350 0.001 0.000 0.269 300 T C 1.402 176.109 174.700 0.012 0.000 1.091 300 T CA 1.311 63.419 62.100 0.013 0.000 1.128 300 T CB -0.254 68.623 68.868 0.014 0.000 0.891 300 T HN 2.478 nan 8.240 nan 0.000 0.492 301 G N 0.613 109.420 108.800 0.012 0.000 2.175 301 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 301 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 301 G C -0.090 174.815 174.900 0.008 0.000 0.982 301 G CA -0.003 45.103 45.100 0.010 0.000 0.641 301 G HN 0.672 nan 8.290 nan 0.000 0.527 302 Q N 0.844 120.649 119.800 0.008 0.000 2.352 302 Q HA 0.407 4.747 4.340 0.001 0.000 0.260 302 Q C -1.930 174.070 176.000 0.000 0.000 0.976 302 Q CA -1.216 54.591 55.803 0.007 0.000 0.881 302 Q CB 0.610 29.354 28.738 0.009 0.000 1.235 302 Q HN 0.270 nan 8.270 nan 0.000 0.419 303 P HA 0.053 nan 4.420 nan 0.000 0.272 303 P C -1.140 176.148 177.300 -0.020 0.000 1.240 303 P CA -0.219 62.874 63.100 -0.012 0.000 0.791 303 P CB 0.446 32.143 31.700 -0.006 0.000 0.978 304 A N 1.942 124.736 122.820 -0.043 0.000 2.466 304 A HA 0.464 4.784 4.320 0.001 0.000 0.238 304 A C -0.021 177.528 177.584 -0.059 0.000 1.074 304 A CA 0.360 52.358 52.037 -0.064 0.000 0.774 304 A CB -0.410 18.530 19.000 -0.100 0.000 1.015 304 A HN 0.510 nan 8.150 nan 0.000 0.498 305 M N 0.524 120.088 119.600 -0.060 0.000 2.484 305 M HA 0.390 4.870 4.480 0.001 0.000 0.289 305 M C -1.391 174.892 176.300 -0.029 0.000 1.206 305 M CA -0.128 55.168 55.300 -0.007 0.000 0.892 305 M CB 1.993 34.625 32.600 0.053 0.000 1.712 305 M HN 0.579 nan 8.290 nan 0.000 0.462 306 F N 2.212 122.205 119.950 0.072 0.000 2.543 306 F HA 0.270 4.798 4.527 0.001 0.000 0.375 306 F C -1.909 173.918 175.800 0.045 0.000 1.075 306 F CA -1.048 56.992 58.000 0.068 0.000 1.225 306 F CB -0.002 39.038 39.000 0.066 0.000 1.099 306 F HN 0.183 nan 8.300 nan 0.000 0.561 307 P HA 0.098 nan 4.420 nan 0.000 0.269 307 P C -0.795 176.580 177.300 0.124 0.000 1.215 307 P CA -0.294 62.879 63.100 0.122 0.000 0.780 307 P CB 0.573 32.324 31.700 0.085 0.000 0.898 308 A N 2.626 125.496 122.820 0.083 0.000 2.520 308 A HA 0.339 4.659 4.320 0.001 0.000 0.235 308 A C 1.184 178.799 177.584 0.052 0.000 1.065 308 A CA 1.247 53.321 52.037 0.062 0.000 0.764 308 A CB -0.999 18.028 19.000 0.045 0.000 1.002 308 A HN 0.933 nan 8.150 nan 0.000 0.502 309 S N -0.833 114.888 115.700 0.036 0.000 2.488 309 S HA -0.207 4.263 4.470 0.001 0.000 0.258 309 S C 0.375 174.990 174.600 0.026 0.000 1.281 309 S CA 1.870 60.085 58.200 0.024 0.000 1.334 309 S CB -2.891 60.323 63.200 0.023 0.000 1.647 309 S HN 2.704 nan 8.310 nan 0.000 0.635 310 T N -1.381 113.205 114.554 0.052 0.000 2.926 310 T HA 0.878 5.228 4.350 0.001 0.000 0.289 310 T C 0.283 174.949 174.700 -0.057 0.000 1.054 310 T CA -0.133 61.999 62.100 0.054 0.000 1.015 310 T CB 1.542 70.518 68.868 0.179 0.000 1.167 310 T HN 1.881 nan 8.240 nan 0.000 0.526 311 G N -0.041 108.614 108.800 -0.242 0.000 2.550 311 G HA2 0.562 4.522 3.960 0.001 0.000 0.293 311 G HA3 0.562 4.522 3.960 0.001 0.000 0.293 311 G C -2.702 171.652 174.900 -0.909 0.000 1.402 311 G CA -1.119 43.521 45.100 -0.767 0.000 0.784 311 G HN 0.430 nan 8.290 nan 0.000 0.482 312 P HA -0.119 nan 4.420 nan 0.000 0.219 312 P C 1.853 179.015 177.300 -0.230 0.000 1.146 312 P CA 1.401 64.220 63.100 -0.470 0.000 0.808 312 P CB 0.211 31.753 31.700 -0.264 0.000 0.779 313 Q N -0.672 119.000 119.800 -0.213 0.000 2.364 313 Q HA -0.141 4.200 4.340 0.001 0.000 0.207 313 Q C 0.533 176.479 176.000 -0.090 0.000 0.970 313 Q CA 1.395 57.124 55.803 -0.123 0.000 0.888 313 Q CB -0.855 27.821 28.738 -0.103 0.000 0.951 313 Q HN 0.284 nan 8.270 nan 0.000 0.469 314 D N 0.850 121.196 120.400 -0.089 0.000 2.339 314 D HA 0.182 4.822 4.640 0.001 0.000 0.217 314 D C 0.335 176.638 176.300 0.004 0.000 1.050 314 D CA -0.040 53.944 54.000 -0.026 0.000 0.856 314 D CB 0.334 41.136 40.800 0.003 0.000 0.922 314 D HN 0.230 nan 8.370 nan 0.000 0.518 315 L N 1.393 122.599 121.223 -0.028 0.000 2.485 315 L HA 0.054 4.394 4.340 0.001 0.000 0.275 315 L C 0.726 177.579 176.870 -0.027 0.000 1.207 315 L CA 0.554 55.362 54.840 -0.052 0.000 0.855 315 L CB 0.527 42.448 42.059 -0.230 0.000 1.114 315 L HN -0.231 nan 8.230 nan 0.000 0.485 316 E N 4.858 125.076 120.200 0.030 0.000 2.546 316 E HA 0.330 4.680 4.350 0.001 0.000 0.227 316 E C -0.914 175.756 176.600 0.117 0.000 1.009 316 E CA -0.271 56.165 56.400 0.060 0.000 0.813 316 E CB 0.898 30.658 29.700 0.101 0.000 1.269 316 E HN 0.457 nan 8.360 nan 0.000 0.432 317 L N 0.767 122.011 121.223 0.036 0.000 2.395 317 L HA 0.272 4.612 4.340 0.001 0.000 0.269 317 L C 0.891 177.810 176.870 0.081 0.000 1.133 317 L CA -0.090 54.782 54.840 0.054 0.000 0.812 317 L CB 1.194 43.260 42.059 0.012 0.000 1.125 317 L HN 0.356 nan 8.230 nan 0.000 0.452 318 S N -0.023 115.733 115.700 0.094 0.000 2.960 318 S HA 0.079 4.549 4.470 0.001 0.000 0.256 318 S C -0.464 174.169 174.600 0.054 0.000 1.017 318 S CA -0.392 57.855 58.200 0.077 0.000 1.144 318 S CB 0.522 63.790 63.200 0.113 0.000 1.109 318 S HN 0.669 nan 8.310 nan 0.000 0.638 319 c N 3.716 122.357 118.600 0.068 0.000 2.335 319 c HA 0.549 5.119 4.570 0.001 0.000 0.318 319 c C -1.823 172.299 174.090 0.054 0.000 1.150 319 c CA -1.919 54.446 56.329 0.059 0.000 1.466 319 c CB 0.143 42.698 42.510 0.074 0.000 2.024 319 c HN 0.276 nan 8.230 nan 0.000 0.429 320 P HA -0.069 nan 4.420 nan 0.000 0.221 320 P C 1.249 178.567 177.300 0.029 0.000 1.150 320 P CA 1.264 64.383 63.100 0.031 0.000 0.800 320 P CB 0.157 31.869 31.700 0.020 0.000 0.787 321 S N -2.432 113.283 115.700 0.025 0.000 2.540 321 S HA 0.181 4.651 4.470 0.001 0.000 0.218 321 S C 0.390 174.998 174.600 0.014 0.000 0.977 321 S CA -0.339 57.870 58.200 0.015 0.000 0.918 321 S CB -0.244 62.960 63.200 0.006 0.000 0.806 321 S HN 0.120 nan 8.310 nan 0.000 0.496 322 E N 1.304 121.520 120.200 0.028 0.000 2.272 322 E HA 0.344 4.695 4.350 0.001 0.000 0.269 322 E C -1.057 175.575 176.600 0.053 0.000 0.877 322 E CA -0.741 55.673 56.400 0.023 0.000 0.755 322 E CB 1.990 31.694 29.700 0.007 0.000 1.192 322 E HN 0.152 nan 8.360 nan 0.000 0.422 323 R N 2.960 123.483 120.500 0.039 0.000 2.370 323 R HA 0.114 4.454 4.340 0.001 0.000 0.309 323 R C -0.761 175.593 176.300 0.090 0.000 1.059 323 R CA -0.237 55.905 56.100 0.071 0.000 0.981 323 R CB 0.280 30.604 30.300 0.041 0.000 0.972 323 R HN 0.464 nan 8.270 nan 0.000 0.437 324 F N 7.673 127.645 119.950 0.037 0.000 2.538 324 F HA 0.200 4.727 4.527 0.000 0.000 0.371 324 F C -1.383 174.449 175.800 0.054 0.000 1.087 324 F CA -1.464 56.567 58.000 0.052 0.000 1.250 324 F CB 0.514 39.562 39.000 0.079 0.000 1.110 324 F HN 0.533 nan 8.300 nan 0.000 0.570 325 P HA 0.042 nan 4.420 nan 0.000 0.270 325 P C -0.948 176.373 177.300 0.036 0.000 1.223 325 P CA -0.323 62.659 63.100 -0.196 0.000 0.785 325 P CB 0.518 32.029 31.700 -0.317 0.000 0.923 326 T N 2.587 117.185 114.554 0.074 0.000 2.723 326 T HA 0.420 4.770 4.350 0.001 0.000 0.297 326 T C 0.251 175.035 174.700 0.139 0.000 0.925 326 T CA -0.156 62.033 62.100 0.148 0.000 1.030 326 T CB -0.291 68.637 68.868 0.100 0.000 0.905 326 T HN 0.189 nan 8.240 nan 0.000 0.502 327 L N 2.922 124.297 121.223 0.252 0.000 2.333 327 L HA 0.618 4.958 4.340 0.001 0.000 0.269 327 L C 1.074 178.115 176.870 0.285 0.000 1.010 327 L CA -1.238 53.737 54.840 0.225 0.000 0.818 327 L CB 1.957 44.113 42.059 0.161 0.000 1.306 327 L HN 0.582 nan 8.230 nan 0.000 0.430 328 T N -2.239 112.435 114.554 0.201 0.000 2.824 328 T HA 0.454 4.804 4.350 0.001 0.000 0.277 328 T C -0.002 174.857 174.700 0.266 0.000 0.975 328 T CA -0.534 61.678 62.100 0.186 0.000 0.966 328 T CB 1.409 70.342 68.868 0.109 0.000 1.054 328 T HN 0.519 nan 8.240 nan 0.000 0.533 329 T N 1.943 116.610 114.554 0.189 0.000 2.829 329 T HA 0.339 4.689 4.350 0.001 0.000 0.280 329 T C -0.180 174.591 174.700 0.120 0.000 0.999 329 T CA -0.696 61.520 62.100 0.193 0.000 0.983 329 T CB 1.477 70.402 68.868 0.096 0.000 0.968 329 T HN 0.566 nan 8.240 nan 0.000 0.446 330 Q N 3.603 123.473 119.800 0.117 0.000 2.311 330 Q HA 0.157 4.497 4.340 0.001 0.000 0.272 330 Q C -2.036 173.999 176.000 0.059 0.000 1.012 330 Q CA -1.275 54.574 55.803 0.077 0.000 0.891 330 Q CB 0.451 29.231 28.738 0.070 0.000 1.201 330 Q HN 0.387 nan 8.270 nan 0.000 0.391 331 P HA 0.224 nan 4.420 nan 0.000 0.272 331 P C -0.184 177.134 177.300 0.030 0.000 1.223 331 P CA 0.119 63.238 63.100 0.033 0.000 0.784 331 P CB 0.766 32.483 31.700 0.027 0.000 0.923 332 G N -0.427 108.387 108.800 0.023 0.000 2.379 332 G HA2 0.255 4.216 3.960 0.001 0.000 0.609 332 G HA3 0.255 4.216 3.960 0.001 0.000 0.609 332 G C 0.244 175.153 174.900 0.016 0.000 1.484 332 G CA -0.141 44.971 45.100 0.020 0.000 0.921 332 G HN 0.450 nan 8.290 nan 0.000 0.658 333 A N 0.045 122.873 122.820 0.013 0.000 2.072 333 A HA 0.638 4.959 4.320 0.001 0.000 0.216 333 A C 1.620 179.210 177.584 0.010 0.000 1.156 333 A CA 2.200 54.242 52.037 0.008 0.000 0.701 333 A CB -0.238 18.766 19.000 0.006 0.000 0.816 333 A HN 2.425 nan 8.150 nan 0.000 0.458 334 S N -1.741 113.968 115.700 0.014 0.000 2.661 334 S HA 0.487 4.957 4.470 0.001 0.000 0.285 334 S C -0.579 174.032 174.600 0.019 0.000 1.138 334 S CA -0.678 57.531 58.200 0.014 0.000 0.855 334 S CB 0.820 64.027 63.200 0.012 0.000 1.136 334 S HN 0.351 nan 8.310 nan 0.000 0.484 335 Q N 0.910 120.722 119.800 0.020 0.000 2.330 335 Q HA 0.271 4.611 4.340 0.001 0.000 0.279 335 Q C -0.644 175.370 176.000 0.024 0.000 1.024 335 Q CA 0.107 55.924 55.803 0.024 0.000 0.900 335 Q CB 0.451 29.202 28.738 0.021 0.000 1.221 335 Q HN 0.730 nan 8.270 nan 0.000 0.396 336 S N 3.481 119.197 115.700 0.027 0.000 2.584 336 S HA 0.289 4.760 4.470 0.001 0.000 0.273 336 S C 0.060 174.676 174.600 0.027 0.000 1.311 336 S CA -0.660 57.556 58.200 0.027 0.000 1.034 336 S CB 0.547 63.765 63.200 0.030 0.000 0.939 336 S HN 0.536 nan 8.310 nan 0.000 0.513 337 L N 2.584 123.824 121.223 0.028 0.000 2.485 337 L HA 0.166 4.507 4.340 0.001 0.000 0.275 337 L C -0.087 176.805 176.870 0.036 0.000 1.207 337 L CA 0.156 55.015 54.840 0.031 0.000 0.855 337 L CB -0.046 42.034 42.059 0.035 0.000 1.114 337 L HN 0.536 nan 8.230 nan 0.000 0.485 338 I N 3.026 123.615 120.570 0.032 0.000 2.312 338 I HA 0.210 4.380 4.170 0.001 0.000 0.291 338 I C 0.723 176.880 176.117 0.067 0.000 1.031 338 I CA -0.273 61.042 61.300 0.026 0.000 1.293 338 I CB 1.208 39.200 38.000 -0.014 0.000 1.403 338 I HN 0.664 nan 8.210 nan 0.000 0.484 339 A N 4.472 127.356 122.820 0.107 0.000 2.540 339 A HA -0.072 4.248 4.320 0.001 0.000 0.239 339 A C 1.100 178.852 177.584 0.281 0.000 1.061 339 A CA 0.140 52.287 52.037 0.183 0.000 0.758 339 A CB -0.131 18.989 19.000 0.199 0.000 0.991 339 A HN 0.863 nan 8.150 nan 0.000 0.502 340 H N 0.620 119.785 119.070 0.160 0.000 2.491 340 H HA 0.023 4.579 4.556 0.000 0.000 0.290 340 H C 0.044 175.542 175.328 0.283 0.000 1.050 340 H CA 1.489 57.648 56.048 0.186 0.000 1.309 340 H CB 0.048 29.864 29.762 0.089 0.000 1.392 340 H HN 0.590 nan 8.280 nan 0.000 0.554 341 c N 0.536 119.210 118.600 0.124 0.000 2.455 341 c HA 0.243 4.813 4.570 0.001 0.000 0.320 341 c C -1.134 172.712 174.090 -0.406 0.000 1.226 341 c CA -1.253 54.958 56.329 -0.197 0.000 1.569 341 c CB 2.159 44.614 42.510 -0.092 0.000 2.200 341 c HN 0.317 nan 8.230 nan 0.000 0.491 342 P HA -0.145 nan 4.420 nan 0.000 0.218 342 P C 0.730 177.861 177.300 -0.281 0.000 1.146 342 P CA 1.546 64.140 63.100 -0.843 0.000 0.813 342 P CB 0.053 31.291 31.700 -0.771 0.000 0.778 343 D N -2.693 117.592 120.400 -0.192 0.000 2.342 343 D HA 0.147 4.787 4.640 0.001 0.000 0.221 343 D C 1.387 177.667 176.300 -0.033 0.000 1.101 343 D CA 0.335 54.283 54.000 -0.087 0.000 0.837 343 D CB -0.612 40.142 40.800 -0.077 0.000 0.938 343 D HN 0.227 nan 8.370 nan 0.000 0.508 344 G N 0.215 109.007 108.800 -0.012 0.000 2.234 344 G HA2 -0.327 3.634 3.960 0.001 0.000 0.235 344 G HA3 -0.327 3.634 3.960 0.001 0.000 0.235 344 G C 0.695 175.622 174.900 0.044 0.000 0.997 344 G CA 0.542 45.666 45.100 0.040 0.000 0.623 344 G HN 0.775 nan 8.290 nan 0.000 0.514 345 S N -0.487 115.225 115.700 0.020 0.000 2.423 345 S HA 0.692 5.162 4.470 0.001 0.000 0.244 345 S C 1.343 175.991 174.600 0.080 0.000 1.267 345 S CA 0.816 59.038 58.200 0.036 0.000 0.988 345 S CB 0.634 63.843 63.200 0.016 0.000 0.978 345 S HN 0.405 nan 8.310 nan 0.000 0.506 346 M N 0.132 119.783 119.600 0.085 0.000 2.215 346 M HA 0.201 4.682 4.480 0.001 0.000 0.391 346 M C -0.781 175.607 176.300 0.148 0.000 0.914 346 M CA -0.017 55.368 55.300 0.141 0.000 1.035 346 M CB 1.052 33.692 32.600 0.067 0.000 1.944 346 M HN 0.619 nan 8.290 nan 0.000 0.656 347 S N 1.374 117.128 115.700 0.089 0.000 2.399 347 S HA 0.413 4.883 4.470 0.001 0.000 0.215 347 S C -0.162 174.455 174.600 0.029 0.000 1.456 347 S CA -0.805 57.431 58.200 0.059 0.000 1.199 347 S CB 0.202 63.417 63.200 0.025 0.000 1.063 347 S HN 0.446 nan 8.310 nan 0.000 0.476 348 c N 0.447 119.068 118.600 0.035 0.000 3.319 348 c HA 0.439 5.009 4.570 0.001 0.000 0.200 348 c C -2.296 171.777 174.090 -0.030 0.000 1.332 348 c CA -1.583 54.728 56.329 -0.030 0.000 1.170 348 c CB -1.194 41.257 42.510 -0.098 0.000 1.855 348 c HN 0.594 nan 8.230 nan 0.000 0.593 349 P HA 0.421 nan 4.420 nan 0.000 0.276 349 P C 0.524 177.799 177.300 -0.041 0.000 1.243 349 P CA 1.048 64.144 63.100 -0.007 0.000 0.768 349 P CB 1.224 32.922 31.700 -0.003 0.000 0.856 350 G N 1.990 110.762 108.800 -0.047 0.000 2.476 350 G HA2 0.345 4.306 3.960 0.001 0.000 0.269 350 G HA3 0.345 4.306 3.960 0.001 0.000 0.269 350 G C -0.243 174.600 174.900 -0.094 0.000 1.195 350 G CA -0.632 44.428 45.100 -0.067 0.000 0.843 350 G HN 0.419 nan 8.290 nan 0.000 0.545 351 V N 1.153 120.989 119.914 -0.130 0.000 2.599 351 V HA 0.180 4.300 4.120 0.001 0.000 0.300 351 V C 0.316 176.239 176.094 -0.284 0.000 1.034 351 V CA 0.520 62.679 62.300 -0.234 0.000 1.115 351 V CB 1.031 32.694 31.823 -0.268 0.000 0.934 351 V HN 0.794 nan 8.190 nan 0.000 0.485 352 Q N 4.311 123.905 119.800 -0.343 0.000 2.285 352 Q HA 0.530 4.870 4.340 0.001 0.000 0.269 352 Q C -1.506 174.308 176.000 -0.311 0.000 1.030 352 Q CA -0.388 55.262 55.803 -0.256 0.000 0.788 352 Q CB 1.493 30.173 28.738 -0.097 0.000 1.266 352 Q HN 0.481 nan 8.270 nan 0.000 0.438 353 F N 1.716 121.681 119.950 0.026 0.000 2.397 353 F HA 0.496 5.023 4.527 0.001 0.000 0.331 353 F C 0.678 176.487 175.800 0.014 0.000 1.090 353 F CA -0.518 57.491 58.000 0.014 0.000 1.065 353 F CB 1.274 40.284 39.000 0.017 0.000 1.184 353 F HN 0.547 nan 8.300 nan 0.000 0.499 354 N N -0.035 118.793 118.700 0.213 0.000 2.445 354 N HA 0.686 5.426 4.740 0.001 0.000 0.264 354 N C -0.034 175.540 175.510 0.107 0.000 1.227 354 N CA -0.120 53.002 53.050 0.119 0.000 0.963 354 N CB 1.022 39.557 38.487 0.079 0.000 1.188 354 N HN 0.799 nan 8.380 nan 0.000 0.491 355 G N -0.515 108.326 108.800 0.068 0.000 2.430 355 G HA2 0.218 4.178 3.960 0.001 0.000 0.300 355 G HA3 0.218 4.178 3.960 0.001 0.000 0.300 355 G C -2.346 172.572 174.900 0.031 0.000 1.330 355 G CA -0.661 44.466 45.100 0.045 0.000 0.813 355 G HN 0.374 nan 8.290 nan 0.000 0.487 356 P HA 0.213 nan 4.420 nan 0.000 0.229 356 P C 0.983 178.294 177.300 0.017 0.000 1.160 356 P CA 1.140 64.248 63.100 0.012 0.000 0.777 356 P CB 0.360 32.060 31.700 -0.000 0.000 0.814 357 A N 0.000 122.834 122.820 0.023 0.000 2.254 357 A HA 0.000 4.320 4.320 0.001 0.000 0.244 357 A CA 0.000 52.049 52.037 0.020 0.000 0.836 357 A CB 0.000 19.015 19.000 0.024 0.000 0.831 357 A HN 0.000 nan 8.150 nan 0.000 0.486