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 1bf5_1_A DATA FIRST_RESID 136 DATA SEQUENCE LDKQKELDSK VRNVKDKVMC IEHEIKSLED LQDEYDFKCK TLQNREHXXX DATA SEQUENCE XXXXXXXXXX XLLLKKMYLM LDNKRKEVVH KIIELLNVTE LTQNALINDE DATA SEQUENCE LVEWKRRQQS ACIGGPPNAC LDQLQNWFTI VAESLQQVRQ QLKKLEELEQ DATA SEQUENCE KYTYEHDPIT KNKQVLWDRT FSLFQQLIQS SFVVERQPCM PTHPQRPLVL DATA SEQUENCE KTGVQFTVKL RLLVKLQELN YNLKVKVLFD KDVNERNTVK GFRKFNILGT DATA SEQUENCE HTKVMNMEES TNGSLAAEFR HLQLKEQKNA GTRTNEGPLI VTEELHSLSF DATA SEQUENCE ETQLCQPGLV IDLETTSLPV VVISNVSQLP SGWASILWYN MLVAEPRNLS DATA SEQUENCE FFLTPPCARW AQLSEVLSWQ FSSVTKRGLN VDQLNMLGEK LLGPNASPDG DATA SEQUENCE LIPWTRFCKE NINDKNFPFW LWIESILELI KKHLLPLWND GCIMGFISKE DATA SEQUENCE RERALLKDQQ PGTFLLRFSE SSREGAITFT WVERSQNGGE PDFHAVEPYT DATA SEQUENCE KKELSAVTFP DIIRNYKVMA AENIPENPLK YLYPNIDKDH AFGKYYSRXX DATA SEQUENCE XXXXXXXXXX XXXXGXIKTE LISVS 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 136 L HA 0.000 nan 4.340 nan 0.000 0.249 136 L C 0.000 176.912 176.870 0.070 0.000 1.165 136 L CA 0.000 54.883 54.840 0.071 0.000 0.813 136 L CB 0.000 42.098 42.059 0.064 0.000 0.961 137 D N 1.928 122.357 120.400 0.048 0.000 2.205 137 D HA -0.250 4.389 4.640 -0.001 0.000 0.190 137 D C 1.810 178.128 176.300 0.031 0.000 1.002 137 D CA 2.320 56.341 54.000 0.034 0.000 0.848 137 D CB 0.249 41.062 40.800 0.022 0.000 0.975 137 D HN 0.183 nan 8.370 nan 0.000 0.449 138 K N -0.478 119.940 120.400 0.029 0.000 2.074 138 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 138 K C 2.493 179.101 176.600 0.014 0.000 1.048 138 K CA 1.620 57.915 56.287 0.013 0.000 0.926 138 K CB -0.211 32.302 32.500 0.022 0.000 0.713 138 K HN 0.447 nan 8.250 nan 0.000 0.444 139 Q N 0.897 120.750 119.800 0.089 0.000 2.002 139 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 139 Q C 2.051 178.113 176.000 0.102 0.000 0.988 139 Q CA 1.641 57.557 55.803 0.188 0.000 0.843 139 Q CB -0.238 28.692 28.738 0.321 0.000 0.908 139 Q HN 0.297 nan 8.270 nan 0.000 0.420 140 K N 0.820 121.283 120.400 0.105 0.000 2.127 140 K HA -0.250 4.070 4.320 -0.001 0.000 0.208 140 K C 2.020 178.616 176.600 -0.008 0.000 1.047 140 K CA 1.614 57.943 56.287 0.070 0.000 0.927 140 K CB -0.155 32.379 32.500 0.057 0.000 0.716 140 K HN 0.294 nan 8.250 nan 0.000 0.450 141 E N 0.841 121.016 120.200 -0.042 0.000 2.152 141 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 141 E C 1.889 178.391 176.600 -0.164 0.000 0.983 141 E CA 0.409 56.761 56.400 -0.080 0.000 0.818 141 E CB 0.099 29.761 29.700 -0.063 0.000 0.758 141 E HN 0.150 nan 8.360 nan 0.000 0.467 142 L N 1.126 122.190 121.223 -0.265 0.000 2.291 142 L HA -0.075 4.264 4.340 -0.001 0.000 0.214 142 L C 1.685 178.188 176.870 -0.612 0.000 1.120 142 L CA 1.623 56.176 54.840 -0.480 0.000 0.799 142 L CB -0.202 41.431 42.059 -0.711 0.000 0.925 142 L HN 0.088 nan 8.230 nan 0.000 0.446 143 D N -0.913 119.237 120.400 -0.418 0.000 2.144 143 D HA -0.163 4.477 4.640 -0.001 0.000 0.200 143 D C 2.172 178.389 176.300 -0.139 0.000 0.978 143 D CA 1.475 55.342 54.000 -0.222 0.000 0.833 143 D CB 0.344 41.197 40.800 0.088 0.000 0.961 143 D HN 0.590 nan 8.370 nan 0.000 0.470 144 S N 0.071 115.701 115.700 -0.116 0.000 2.395 144 S HA -0.050 4.420 4.470 -0.001 0.000 0.225 144 S C 1.854 176.393 174.600 -0.102 0.000 1.027 144 S CA 0.439 58.593 58.200 -0.076 0.000 0.965 144 S CB -0.121 63.048 63.200 -0.053 0.000 0.812 144 S HN 0.130 nan 8.310 nan 0.000 0.482 145 K N 0.739 121.047 120.400 -0.153 0.000 2.152 145 K HA -0.008 4.312 4.320 -0.001 0.000 0.206 145 K C 2.023 178.534 176.600 -0.147 0.000 1.048 145 K CA 1.402 57.600 56.287 -0.148 0.000 0.933 145 K CB -0.438 31.952 32.500 -0.184 0.000 0.721 145 K HN 0.286 nan 8.250 nan 0.000 0.447 146 V N 0.822 120.621 119.914 -0.192 0.000 2.379 146 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 146 V C 2.100 178.158 176.094 -0.059 0.000 1.044 146 V CA 1.470 63.685 62.300 -0.141 0.000 1.036 146 V CB -0.324 31.395 31.823 -0.173 0.000 0.664 146 V HN 0.158 nan 8.190 nan 0.000 0.453 147 R N 0.755 121.231 120.500 -0.041 0.000 2.091 147 R HA -0.144 4.196 4.340 -0.001 0.000 0.238 147 R C 2.086 178.377 176.300 -0.015 0.000 1.136 147 R CA 1.731 57.827 56.100 -0.007 0.000 0.959 147 R CB -1.219 29.083 30.300 0.004 0.000 0.856 147 R HN 0.638 nan 8.270 nan 0.000 0.437 148 N N -0.036 118.645 118.700 -0.032 0.000 2.069 148 N HA -0.141 4.598 4.740 -0.001 0.000 0.191 148 N C 1.398 176.893 175.510 -0.024 0.000 1.031 148 N CA 1.556 54.590 53.050 -0.027 0.000 0.852 148 N CB -0.077 38.387 38.487 -0.039 0.000 1.018 148 N HN 0.018 nan 8.380 nan 0.000 0.423 149 V N 0.915 120.807 119.914 -0.037 0.000 2.255 149 V HA -0.252 3.868 4.120 -0.001 0.000 0.247 149 V C 2.445 178.529 176.094 -0.016 0.000 1.051 149 V CA 2.054 64.334 62.300 -0.033 0.000 1.018 149 V CB -0.752 31.043 31.823 -0.047 0.000 0.641 149 V HN 0.458 nan 8.190 nan 0.000 0.445 150 K N -0.117 120.278 120.400 -0.009 0.000 2.044 150 K HA -0.268 4.052 4.320 -0.001 0.000 0.210 150 K C 1.877 178.480 176.600 0.005 0.000 1.049 150 K CA 2.187 58.475 56.287 0.002 0.000 0.927 150 K CB -0.348 32.160 32.500 0.013 0.000 0.713 150 K HN 0.494 nan 8.250 nan 0.000 0.443 151 D N 0.912 121.317 120.400 0.009 0.000 2.108 151 D HA -0.183 4.457 4.640 -0.001 0.000 0.190 151 D C 1.820 178.132 176.300 0.020 0.000 0.995 151 D CA 1.384 55.396 54.000 0.020 0.000 0.834 151 D CB -0.229 40.582 40.800 0.019 0.000 0.967 151 D HN 0.273 nan 8.370 nan 0.000 0.446 152 K N 0.441 120.848 120.400 0.012 0.000 2.173 152 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 152 K C 2.178 178.783 176.600 0.009 0.000 1.046 152 K CA 0.786 57.081 56.287 0.014 0.000 0.929 152 K CB -0.159 32.344 32.500 0.005 0.000 0.720 152 K HN 0.089 nan 8.250 nan 0.000 0.453 153 V N 1.135 121.047 119.914 -0.003 0.000 2.379 153 V HA -0.207 3.913 4.120 -0.001 0.000 0.245 153 V C 2.222 178.298 176.094 -0.030 0.000 1.044 153 V CA 1.529 63.820 62.300 -0.015 0.000 1.036 153 V CB -0.378 31.433 31.823 -0.020 0.000 0.664 153 V HN 0.304 nan 8.190 nan 0.000 0.453 154 M N -0.763 118.820 119.600 -0.029 0.000 2.156 154 M HA -0.165 4.314 4.480 -0.001 0.000 0.264 154 M C 2.484 178.757 176.300 -0.045 0.000 1.067 154 M CA 1.794 57.048 55.300 -0.077 0.000 1.131 154 M CB -0.712 31.867 32.600 -0.034 0.000 1.368 154 M HN 0.510 nan 8.290 nan 0.000 0.416 155 C N 1.206 120.543 119.300 0.063 0.000 2.401 155 C HA -0.169 4.290 4.460 -0.001 0.000 0.276 155 C C 2.587 177.633 174.990 0.094 0.000 1.233 155 C CA 0.972 60.071 59.018 0.135 0.000 1.753 155 C CB -0.892 26.900 27.740 0.088 0.000 2.029 155 C HN 0.506 nan 8.230 nan 0.000 0.478 156 I N 0.265 120.858 120.570 0.038 0.000 2.394 156 I HA -0.155 4.015 4.170 -0.001 0.000 0.251 156 I C 2.579 178.700 176.117 0.007 0.000 1.136 156 I CA 1.834 63.152 61.300 0.029 0.000 1.425 156 I CB -0.654 37.356 38.000 0.017 0.000 1.079 156 I HN 0.511 nan 8.210 nan 0.000 0.425 157 E N 0.164 120.332 120.200 -0.054 0.000 2.208 157 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 157 E C 2.139 178.693 176.600 -0.078 0.000 0.988 157 E CA 0.758 57.104 56.400 -0.090 0.000 0.828 157 E CB 0.145 29.753 29.700 -0.152 0.000 0.763 157 E HN 0.495 nan 8.360 nan 0.000 0.478 158 H N 0.902 119.979 119.070 0.011 0.000 2.293 158 H HA -0.077 4.479 4.556 -0.001 0.000 0.300 158 H C 1.845 177.179 175.328 0.010 0.000 1.082 158 H CA 1.557 57.611 56.048 0.010 0.000 1.308 158 H CB -0.140 29.628 29.762 0.009 0.000 1.375 158 H HN 0.324 nan 8.280 nan 0.000 0.495 159 E N 0.201 120.490 120.200 0.149 0.000 2.273 159 E HA -0.129 4.221 4.350 -0.001 0.000 0.198 159 E C 2.155 178.789 176.600 0.057 0.000 1.002 159 E CA 0.564 57.014 56.400 0.083 0.000 0.828 159 E CB 0.018 29.758 29.700 0.067 0.000 0.747 159 E HN 0.465 nan 8.360 nan 0.000 0.491 160 I N 0.673 121.273 120.570 0.049 0.000 2.480 160 I HA -0.187 3.982 4.170 -0.001 0.000 0.251 160 I C 2.149 178.285 176.117 0.032 0.000 1.124 160 I CA 0.730 62.050 61.300 0.034 0.000 1.444 160 I CB -0.045 37.969 38.000 0.023 0.000 1.098 160 I HN 0.003 nan 8.210 nan 0.000 0.428 161 K N 0.661 121.084 120.400 0.038 0.000 2.057 161 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 161 K C 2.163 178.784 176.600 0.034 0.000 1.049 161 K CA 1.583 57.892 56.287 0.036 0.000 0.931 161 K CB -0.196 32.334 32.500 0.050 0.000 0.714 161 K HN 0.151 nan 8.250 nan 0.000 0.440 162 S N 1.544 117.270 115.700 0.042 0.000 2.442 162 S HA -0.094 4.376 4.470 -0.001 0.000 0.236 162 S C 1.750 176.353 174.600 0.005 0.000 1.007 162 S CA 0.777 58.992 58.200 0.027 0.000 0.965 162 S CB -0.094 63.126 63.200 0.032 0.000 0.773 162 S HN 0.267 nan 8.310 nan 0.000 0.504 163 L N 0.970 122.199 121.223 0.010 0.000 2.168 163 L HA 0.021 4.360 4.340 -0.001 0.000 0.203 163 L C 2.279 179.147 176.870 -0.004 0.000 1.078 163 L CA 1.085 55.923 54.840 -0.004 0.000 0.780 163 L CB -0.251 41.818 42.059 0.017 0.000 0.939 163 L HN 0.281 nan 8.230 nan 0.000 0.451 164 E N 0.130 120.338 120.200 0.014 0.000 2.031 164 E HA -0.239 4.111 4.350 -0.001 0.000 0.193 164 E C 1.667 178.276 176.600 0.014 0.000 0.994 164 E CA 1.648 58.060 56.400 0.020 0.000 0.800 164 E CB -0.058 29.657 29.700 0.024 0.000 0.752 164 E HN 0.557 nan 8.360 nan 0.000 0.447 165 D N 1.064 121.471 120.400 0.011 0.000 2.084 165 D HA -0.153 4.487 4.640 -0.001 0.000 0.196 165 D C 2.135 178.442 176.300 0.011 0.000 0.985 165 D CA 0.632 54.640 54.000 0.012 0.000 0.826 165 D CB -0.423 40.385 40.800 0.013 0.000 0.978 165 D HN 0.095 nan 8.370 nan 0.000 0.456 166 L N 0.638 121.854 121.223 -0.012 0.000 2.351 166 L HA -0.228 4.111 4.340 -0.001 0.000 0.220 166 L C 2.293 179.083 176.870 -0.133 0.000 1.127 166 L CA 1.152 55.961 54.840 -0.052 0.000 0.786 166 L CB -0.001 41.989 42.059 -0.115 0.000 0.914 166 L HN 0.041 nan 8.230 nan 0.000 0.443 167 Q N -0.862 118.894 119.800 -0.074 0.000 2.200 167 Q HA -0.145 4.194 4.340 -0.001 0.000 0.197 167 Q C 1.392 177.416 176.000 0.040 0.000 0.953 167 Q CA 1.012 56.779 55.803 -0.060 0.000 0.851 167 Q CB 0.209 28.946 28.738 -0.002 0.000 0.938 167 Q HN 0.496 nan 8.270 nan 0.000 0.488 168 D N 0.707 121.139 120.400 0.053 0.000 2.351 168 D HA -0.164 4.476 4.640 -0.001 0.000 0.216 168 D C 1.334 177.706 176.300 0.121 0.000 0.968 168 D CA 0.772 54.819 54.000 0.077 0.000 0.899 168 D CB 0.161 40.988 40.800 0.045 0.000 0.907 168 D HN 0.471 nan 8.370 nan 0.000 0.514 169 E N -0.237 120.050 120.200 0.145 0.000 2.030 169 E HA -0.150 4.200 4.350 -0.001 0.000 0.189 169 E C 1.651 178.418 176.600 0.278 0.000 0.974 169 E CA 0.397 56.919 56.400 0.203 0.000 0.807 169 E CB 0.030 29.870 29.700 0.233 0.000 0.771 169 E HN 0.124 nan 8.360 nan 0.000 0.451 170 Y N 1.369 121.665 120.300 -0.007 0.000 2.224 170 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 170 Y C 2.101 177.948 175.900 -0.090 0.000 1.146 170 Y CA 1.612 59.669 58.100 -0.073 0.000 1.182 170 Y CB -0.615 37.761 38.460 -0.139 0.000 0.983 170 Y HN 0.271 nan 8.280 nan 0.000 0.524 171 D N -0.968 119.500 120.400 0.114 0.000 2.117 171 D HA -0.211 4.428 4.640 -0.001 0.000 0.198 171 D C 2.040 178.385 176.300 0.075 0.000 0.982 171 D CA 0.825 54.846 54.000 0.036 0.000 0.828 171 D CB -0.366 40.461 40.800 0.046 0.000 0.967 171 D HN 0.181 nan 8.370 nan 0.000 0.464 172 F N 1.475 121.422 119.950 -0.006 0.000 2.102 172 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 172 F C 1.957 177.738 175.800 -0.032 0.000 1.105 172 F CA 1.378 59.371 58.000 -0.011 0.000 1.239 172 F CB -0.108 38.891 39.000 -0.002 0.000 0.991 172 F HN -0.146 nan 8.300 nan 0.000 0.474 173 K N -0.643 119.767 120.400 0.016 0.000 2.280 173 K HA -0.179 4.141 4.320 -0.001 0.000 0.202 173 K C 2.157 178.649 176.600 -0.180 0.000 1.047 173 K CA 1.245 57.460 56.287 -0.120 0.000 0.942 173 K CB -0.613 31.824 32.500 -0.105 0.000 0.739 173 K HN 0.355 nan 8.250 nan 0.000 0.457 174 C N 0.937 120.148 119.300 -0.148 0.000 2.543 174 C HA -0.041 4.418 4.460 -0.001 0.000 0.281 174 C C 2.617 177.523 174.990 -0.140 0.000 1.276 174 C CA 0.336 59.275 59.018 -0.133 0.000 1.700 174 C CB -0.479 27.197 27.740 -0.106 0.000 2.093 174 C HN 0.502 nan 8.230 nan 0.000 0.488 175 K N 1.002 121.309 120.400 -0.154 0.000 2.034 175 K HA -0.254 4.066 4.320 -0.001 0.000 0.214 175 K C 2.012 178.491 176.600 -0.203 0.000 1.051 175 K CA 2.705 58.900 56.287 -0.153 0.000 0.931 175 K CB -0.511 31.894 32.500 -0.158 0.000 0.715 175 K HN 0.713 nan 8.250 nan 0.000 0.446 176 T N 0.324 114.674 114.554 -0.340 0.000 2.595 176 T HA -0.201 4.149 4.350 -0.001 0.000 0.264 176 T C 1.913 176.502 174.700 -0.185 0.000 1.058 176 T CA 1.522 63.440 62.100 -0.303 0.000 1.166 176 T CB -0.688 67.939 68.868 -0.403 0.000 0.863 176 T HN 0.147 nan 8.240 nan 0.000 0.415 177 L N 1.891 123.011 121.223 -0.172 0.000 2.270 177 L HA -0.136 4.204 4.340 -0.001 0.000 0.217 177 L C 2.895 179.688 176.870 -0.130 0.000 1.107 177 L CA 1.591 56.351 54.840 -0.134 0.000 0.772 177 L CB -1.051 40.935 42.059 -0.123 0.000 0.902 177 L HN 0.477 nan 8.230 nan 0.000 0.439 178 Q N -1.312 118.419 119.800 -0.116 0.000 2.096 178 Q HA -0.064 4.276 4.340 -0.001 0.000 0.197 178 Q C 1.710 177.658 176.000 -0.086 0.000 0.964 178 Q CA 1.060 56.802 55.803 -0.101 0.000 0.838 178 Q CB -0.033 28.689 28.738 -0.027 0.000 0.906 178 Q HN 0.572 nan 8.270 nan 0.000 0.444 179 N N 0.535 119.208 118.700 -0.044 0.000 2.415 179 N HA -0.008 4.732 4.740 -0.001 0.000 0.176 179 N C 0.545 176.033 175.510 -0.037 0.000 1.042 179 N CA 0.464 53.516 53.050 0.004 0.000 0.902 179 N CB 0.176 38.660 38.487 -0.004 0.000 0.986 179 N HN 0.089 nan 8.380 nan 0.000 0.447 180 R N 1.070 121.522 120.500 -0.080 0.000 3.298 180 R HA 0.131 4.470 4.340 -0.001 0.000 0.249 180 R C 0.391 176.636 176.300 -0.091 0.000 1.563 180 R CA 0.274 56.328 56.100 -0.076 0.000 1.378 180 R CB 0.218 30.467 30.300 -0.085 0.000 1.250 180 R HN 0.371 nan 8.270 nan 0.000 0.580 181 E N -1.620 118.512 120.200 -0.114 0.000 3.952 181 E HA 0.093 4.443 4.350 -0.001 0.000 0.223 181 E C 0.035 176.569 176.600 -0.111 0.000 1.295 181 E CA -0.536 55.769 56.400 -0.159 0.000 1.670 181 E CB 0.324 29.851 29.700 -0.289 0.000 1.588 181 E HN 0.256 nan 8.360 nan 0.000 0.664 198 L N 2.204 123.363 121.223 -0.106 0.000 1.987 198 L HA 0.073 4.413 4.340 -0.001 0.000 0.230 198 L C 3.257 180.043 176.870 -0.140 0.000 1.089 198 L CA 4.923 59.674 54.840 -0.149 0.000 0.802 198 L CB -1.576 40.411 42.059 -0.119 0.000 0.905 198 L HN 2.529 nan 8.230 nan 0.000 0.441 199 L N -1.126 120.061 121.223 -0.059 0.000 1.971 199 L HA -0.284 4.055 4.340 -0.001 0.000 0.215 199 L C 2.734 179.623 176.870 0.032 0.000 1.072 199 L CA 3.444 58.297 54.840 0.021 0.000 0.758 199 L CB -1.880 40.229 42.059 0.083 0.000 0.889 199 L HN 0.698 nan 8.230 nan 0.000 0.433 200 K N -0.554 119.862 120.400 0.026 0.000 2.001 200 K HA -0.259 4.061 4.320 -0.001 0.000 0.214 200 K C 2.296 178.919 176.600 0.038 0.000 1.050 200 K CA 2.015 58.328 56.287 0.042 0.000 0.934 200 K CB -0.412 32.103 32.500 0.025 0.000 0.718 200 K HN 0.640 nan 8.250 nan 0.000 0.443 201 K N 0.435 120.838 120.400 0.004 0.000 1.990 201 K HA -0.233 4.086 4.320 -0.001 0.000 0.225 201 K C 2.218 178.957 176.600 0.232 0.000 1.053 201 K CA 1.721 58.055 56.287 0.080 0.000 0.982 201 K CB -0.274 32.168 32.500 -0.097 0.000 0.734 201 K HN 0.118 nan 8.250 nan 0.000 0.448 202 M N 0.263 119.939 119.600 0.126 0.000 5.024 202 M HA -0.259 4.220 4.480 -0.001 0.000 0.326 202 M C 2.231 178.477 176.300 -0.091 0.000 1.012 202 M CA 1.828 57.176 55.300 0.080 0.000 1.049 202 M CB -1.179 31.084 32.600 -0.562 0.000 1.121 202 M HN 0.204 nan 8.290 nan 0.000 0.797 203 Y N 0.015 120.338 120.300 0.037 0.000 2.491 203 Y HA -0.215 4.334 4.550 -0.001 0.000 0.280 203 Y C 2.047 177.918 175.900 -0.048 0.000 1.177 203 Y CA 1.054 59.128 58.100 -0.044 0.000 1.366 203 Y CB -1.033 37.393 38.460 -0.056 0.000 0.966 203 Y HN 0.332 nan 8.280 nan 0.000 0.573 204 L N -1.474 119.814 121.223 0.108 0.000 2.445 204 L HA 0.160 4.500 4.340 -0.001 0.000 0.207 204 L C 2.095 179.003 176.870 0.063 0.000 1.053 204 L CA 0.943 55.832 54.840 0.082 0.000 0.841 204 L CB -0.373 41.734 42.059 0.080 0.000 1.074 204 L HN 0.188 nan 8.230 nan 0.000 0.479 205 M N -1.269 118.366 119.600 0.059 0.000 2.193 205 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 205 M C 1.973 178.265 176.300 -0.013 0.000 1.071 205 M CA 1.450 56.767 55.300 0.028 0.000 1.140 205 M CB -0.012 32.614 32.600 0.042 0.000 1.369 205 M HN 0.273 nan 8.290 nan 0.000 0.423 206 L N 0.281 121.464 121.223 -0.066 0.000 2.043 206 L HA -0.298 4.042 4.340 -0.001 0.000 0.212 206 L C 2.035 178.950 176.870 0.075 0.000 1.075 206 L CA 1.886 56.697 54.840 -0.049 0.000 0.752 206 L CB -1.031 41.009 42.059 -0.032 0.000 0.891 206 L HN 0.398 nan 8.230 nan 0.000 0.432 207 D N 0.129 120.595 120.400 0.110 0.000 2.092 207 D HA -0.202 4.438 4.640 -0.001 0.000 0.193 207 D C 1.843 178.220 176.300 0.128 0.000 0.994 207 D CA 1.516 55.627 54.000 0.185 0.000 0.828 207 D CB 0.010 40.899 40.800 0.147 0.000 0.963 207 D HN 0.159 nan 8.370 nan 0.000 0.450 208 N N -0.368 118.380 118.700 0.079 0.000 2.205 208 N HA -0.106 4.634 4.740 -0.001 0.000 0.186 208 N C 1.433 176.970 175.510 0.044 0.000 1.015 208 N CA 0.808 53.891 53.050 0.054 0.000 0.862 208 N CB 0.085 38.593 38.487 0.036 0.000 0.986 208 N HN 0.099 nan 8.380 nan 0.000 0.429 209 K N 0.526 120.950 120.400 0.040 0.000 2.116 209 K HA 0.108 4.427 4.320 -0.001 0.000 0.203 209 K C 1.922 178.553 176.600 0.052 0.000 1.052 209 K CA 0.652 56.957 56.287 0.030 0.000 0.952 209 K CB -0.079 32.421 32.500 0.001 0.000 0.729 209 K HN 0.256 nan 8.250 nan 0.000 0.446 210 R N 1.134 121.681 120.500 0.079 0.000 2.075 210 R HA -0.067 4.273 4.340 -0.001 0.000 0.230 210 R C 2.351 178.700 176.300 0.082 0.000 1.140 210 R CA 1.446 57.599 56.100 0.088 0.000 0.928 210 R CB -0.270 30.107 30.300 0.127 0.000 0.834 210 R HN 0.138 nan 8.270 nan 0.000 0.429 211 K N 0.472 120.927 120.400 0.093 0.000 2.089 211 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 211 K C 2.121 178.774 176.600 0.087 0.000 1.048 211 K CA 1.244 57.584 56.287 0.089 0.000 0.926 211 K CB -0.124 32.426 32.500 0.084 0.000 0.714 211 K HN 0.130 nan 8.250 nan 0.000 0.448 212 E N 0.913 121.148 120.200 0.059 0.000 2.033 212 E HA -0.180 4.170 4.350 -0.001 0.000 0.199 212 E C 2.118 178.767 176.600 0.082 0.000 1.011 212 E CA 1.233 57.657 56.400 0.041 0.000 0.815 212 E CB -0.327 29.385 29.700 0.021 0.000 0.755 212 E HN 0.043 nan 8.360 nan 0.000 0.451 213 V N 0.598 120.556 119.914 0.073 0.000 2.220 213 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 213 V C 2.717 178.864 176.094 0.088 0.000 1.049 213 V CA 1.788 64.132 62.300 0.074 0.000 1.003 213 V CB -0.809 31.048 31.823 0.057 0.000 0.634 213 V HN 0.093 nan 8.190 nan 0.000 0.444 214 V N 0.289 120.252 119.914 0.082 0.000 2.233 214 V HA -0.405 3.715 4.120 -0.001 0.000 0.252 214 V C 2.493 178.640 176.094 0.087 0.000 1.063 214 V CA 2.726 65.069 62.300 0.073 0.000 1.032 214 V CB -1.024 30.838 31.823 0.066 0.000 0.645 214 V HN 0.760 nan 8.190 nan 0.000 0.446 215 H N 0.721 119.803 119.070 0.021 0.000 2.289 215 H HA -0.213 4.343 4.556 -0.001 0.000 0.294 215 H C 2.372 177.708 175.328 0.014 0.000 1.095 215 H CA 2.431 58.489 56.048 0.017 0.000 1.256 215 H CB -0.171 29.602 29.762 0.017 0.000 1.359 215 H HN 0.397 nan 8.280 nan 0.000 0.487 216 K N -0.035 120.508 120.400 0.239 0.000 2.211 216 K HA -0.090 4.230 4.320 -0.001 0.000 0.204 216 K C 2.505 179.127 176.600 0.037 0.000 1.047 216 K CA 1.196 57.571 56.287 0.147 0.000 0.935 216 K CB 0.086 32.664 32.500 0.130 0.000 0.728 216 K HN 0.362 nan 8.250 nan 0.000 0.452 217 I N 0.727 121.311 120.570 0.023 0.000 2.233 217 I HA -0.247 3.923 4.170 -0.001 0.000 0.243 217 I C 2.150 178.248 176.117 -0.031 0.000 1.093 217 I CA 1.035 62.336 61.300 0.001 0.000 1.380 217 I CB -0.187 37.821 38.000 0.012 0.000 1.067 217 I HN 0.085 nan 8.210 nan 0.000 0.413 218 I N 0.658 121.194 120.570 -0.057 0.000 2.315 218 I HA -0.320 3.850 4.170 -0.001 0.000 0.251 218 I C 2.392 178.437 176.117 -0.120 0.000 1.125 218 I CA 1.518 62.763 61.300 -0.093 0.000 1.392 218 I CB -0.294 37.624 38.000 -0.136 0.000 1.065 218 I HN 0.315 nan 8.210 nan 0.000 0.424 219 E N 0.636 120.752 120.200 -0.141 0.000 2.230 219 E HA -0.121 4.229 4.350 -0.001 0.000 0.192 219 E C 2.272 178.838 176.600 -0.057 0.000 0.987 219 E CA 0.293 56.624 56.400 -0.114 0.000 0.841 219 E CB 0.222 29.863 29.700 -0.097 0.000 0.783 219 E HN 0.452 nan 8.360 nan 0.000 0.481 220 L N 0.526 121.725 121.223 -0.040 0.000 2.044 220 L HA -0.117 4.223 4.340 -0.001 0.000 0.205 220 L C 2.113 178.959 176.870 -0.039 0.000 1.075 220 L CA 0.837 55.659 54.840 -0.030 0.000 0.747 220 L CB -0.078 41.969 42.059 -0.020 0.000 0.903 220 L HN 0.238 nan 8.230 nan 0.000 0.435 221 L N 0.039 121.237 121.223 -0.042 0.000 2.079 221 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 221 L C 2.401 179.243 176.870 -0.046 0.000 1.081 221 L CA 1.133 55.948 54.840 -0.042 0.000 0.752 221 L CB -0.874 41.162 42.059 -0.038 0.000 0.896 221 L HN 0.419 nan 8.230 nan 0.000 0.433 222 N N 0.053 118.723 118.700 -0.050 0.000 2.025 222 N HA -0.158 4.582 4.740 -0.001 0.000 0.194 222 N C 1.889 177.369 175.510 -0.050 0.000 1.044 222 N CA 1.457 54.478 53.050 -0.049 0.000 0.851 222 N CB -0.696 37.758 38.487 -0.054 0.000 1.036 222 N HN 0.117 nan 8.380 nan 0.000 0.422 223 V N 1.518 121.402 119.914 -0.050 0.000 2.469 223 V HA -0.208 3.912 4.120 -0.001 0.000 0.251 223 V C 2.223 178.279 176.094 -0.065 0.000 1.064 223 V CA 1.782 64.050 62.300 -0.054 0.000 1.066 223 V CB -1.087 30.707 31.823 -0.047 0.000 0.667 223 V HN 0.372 nan 8.190 nan 0.000 0.461 224 T N -0.433 114.085 114.554 -0.060 0.000 2.746 224 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 224 T C 1.884 176.537 174.700 -0.079 0.000 1.039 224 T CA 1.781 63.840 62.100 -0.069 0.000 1.142 224 T CB -0.210 68.625 68.868 -0.055 0.000 0.866 224 T HN 0.545 nan 8.240 nan 0.000 0.444 225 E N 1.473 121.633 120.200 -0.066 0.000 2.023 225 E HA -0.094 4.256 4.350 -0.001 0.000 0.196 225 E C 2.088 178.644 176.600 -0.074 0.000 1.003 225 E CA 1.287 57.648 56.400 -0.065 0.000 0.809 225 E CB -0.792 28.878 29.700 -0.050 0.000 0.755 225 E HN 0.433 nan 8.360 nan 0.000 0.449 226 L N 0.156 121.337 121.223 -0.070 0.000 2.051 226 L HA -0.264 4.076 4.340 -0.001 0.000 0.214 226 L C 2.498 179.308 176.870 -0.100 0.000 1.076 226 L CA 1.967 56.763 54.840 -0.075 0.000 0.758 226 L CB -0.820 41.198 42.059 -0.068 0.000 0.890 226 L HN 0.293 nan 8.230 nan 0.000 0.433 227 T N -1.539 112.945 114.554 -0.118 0.000 2.668 227 T HA -0.252 4.098 4.350 -0.001 0.000 0.262 227 T C 1.801 176.393 174.700 -0.180 0.000 1.045 227 T CA 1.196 63.199 62.100 -0.161 0.000 1.152 227 T CB -0.214 68.556 68.868 -0.164 0.000 0.864 227 T HN 0.304 nan 8.240 nan 0.000 0.419 228 Q N 0.980 120.680 119.800 -0.166 0.000 2.029 228 Q HA -0.229 4.111 4.340 -0.001 0.000 0.209 228 Q C 2.478 178.386 176.000 -0.153 0.000 0.999 228 Q CA 1.646 57.334 55.803 -0.191 0.000 0.857 228 Q CB -0.283 28.365 28.738 -0.151 0.000 0.926 228 Q HN 0.445 nan 8.270 nan 0.000 0.415 229 N N -0.136 118.502 118.700 -0.104 0.000 2.184 229 N HA -0.218 4.522 4.740 -0.001 0.000 0.190 229 N C 1.460 176.931 175.510 -0.064 0.000 1.011 229 N CA 1.645 54.653 53.050 -0.069 0.000 0.867 229 N CB -0.093 38.361 38.487 -0.054 0.000 0.993 229 N HN 0.307 nan 8.380 nan 0.000 0.433 230 A N 0.817 123.581 122.820 -0.093 0.000 1.930 230 A HA -0.009 4.311 4.320 -0.001 0.000 0.215 230 A C 2.201 179.746 177.584 -0.065 0.000 1.176 230 A CA 0.678 52.664 52.037 -0.084 0.000 0.632 230 A CB -0.606 18.316 19.000 -0.131 0.000 0.819 230 A HN 0.331 nan 8.150 nan 0.000 0.445 231 L N 0.443 121.593 121.223 -0.121 0.000 1.937 231 L HA -0.131 4.209 4.340 -0.001 0.000 0.213 231 L C 2.298 179.188 176.870 0.033 0.000 1.077 231 L CA 2.021 56.806 54.840 -0.092 0.000 0.758 231 L CB -0.715 41.131 42.059 -0.354 0.000 0.888 231 L HN 0.449 nan 8.230 nan 0.000 0.433 232 I N 0.168 120.725 120.570 -0.021 0.000 2.069 232 I HA -0.358 3.811 4.170 -0.001 0.000 0.237 232 I C 2.106 178.288 176.117 0.108 0.000 1.053 232 I CA 1.850 63.217 61.300 0.112 0.000 1.311 232 I CB -0.698 37.337 38.000 0.058 0.000 1.030 232 I HN 0.438 nan 8.210 nan 0.000 0.398 233 N N 0.084 118.815 118.700 0.052 0.000 2.331 233 N HA -0.171 4.569 4.740 -0.001 0.000 0.180 233 N C 1.431 176.975 175.510 0.057 0.000 1.019 233 N CA 1.261 54.340 53.050 0.048 0.000 0.881 233 N CB -0.206 38.293 38.487 0.020 0.000 0.972 233 N HN 0.520 nan 8.380 nan 0.000 0.435 234 D N 0.199 120.637 120.400 0.062 0.000 2.716 234 D HA -0.011 4.628 4.640 -0.001 0.000 0.273 234 D C 1.296 177.669 176.300 0.122 0.000 1.024 234 D CA 0.317 54.359 54.000 0.070 0.000 0.944 234 D CB 0.538 41.363 40.800 0.041 0.000 1.186 234 D HN -0.108 nan 8.370 nan 0.000 0.485 235 E N 1.170 121.466 120.200 0.161 0.000 2.046 235 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 235 E C 2.285 179.056 176.600 0.285 0.000 0.982 235 E CA 0.217 56.769 56.400 0.253 0.000 0.800 235 E CB -0.289 29.631 29.700 0.367 0.000 0.756 235 E HN 0.327 nan 8.360 nan 0.000 0.449 236 L N 0.742 122.135 121.223 0.283 0.000 2.005 236 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 236 L C 2.436 179.464 176.870 0.264 0.000 1.072 236 L CA 0.933 55.946 54.840 0.288 0.000 0.744 236 L CB -0.239 41.985 42.059 0.275 0.000 0.895 236 L HN -0.029 nan 8.230 nan 0.000 0.433 237 V N 0.153 120.178 119.914 0.185 0.000 2.380 237 V HA -0.351 3.769 4.120 -0.001 0.000 0.251 237 V C 2.441 178.606 176.094 0.119 0.000 1.063 237 V CA 2.255 64.633 62.300 0.131 0.000 1.055 237 V CB -0.578 31.298 31.823 0.087 0.000 0.657 237 V HN 0.547 nan 8.190 nan 0.000 0.455 238 E N -1.410 118.874 120.200 0.140 0.000 2.072 238 E HA -0.256 4.093 4.350 -0.001 0.000 0.190 238 E C 2.020 178.689 176.600 0.114 0.000 0.982 238 E CA 1.290 57.755 56.400 0.107 0.000 0.803 238 E CB -0.196 29.574 29.700 0.116 0.000 0.755 238 E HN 0.702 nan 8.360 nan 0.000 0.453 239 W N 2.093 123.416 121.300 0.038 0.000 2.338 239 W HA -0.195 4.465 4.660 -0.001 0.000 0.304 239 W C 1.883 178.403 176.519 0.002 0.000 1.212 239 W CA 1.855 59.210 57.345 0.017 0.000 1.264 239 W CB 0.048 29.518 29.460 0.016 0.000 1.142 239 W HN -0.064 nan 8.180 nan 0.000 0.512 240 K N -0.328 120.138 120.400 0.111 0.000 2.026 240 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 240 K C 2.120 178.623 176.600 -0.162 0.000 1.048 240 K CA 1.286 57.543 56.287 -0.050 0.000 0.929 240 K CB -0.394 32.163 32.500 0.095 0.000 0.713 240 K HN 0.014 nan 8.250 nan 0.000 0.439 241 R N 1.115 121.561 120.500 -0.091 0.000 2.083 241 R HA -0.112 4.228 4.340 -0.001 0.000 0.237 241 R C 2.208 178.415 176.300 -0.156 0.000 1.137 241 R CA 1.373 57.413 56.100 -0.099 0.000 0.951 241 R CB -0.597 29.669 30.300 -0.057 0.000 0.851 241 R HN 0.283 nan 8.270 nan 0.000 0.434 242 R N 0.552 120.925 120.500 -0.213 0.000 2.120 242 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 242 R C 2.370 178.463 176.300 -0.345 0.000 1.123 242 R CA 1.290 57.238 56.100 -0.253 0.000 0.975 242 R CB -0.253 29.884 30.300 -0.273 0.000 0.866 242 R HN 0.401 nan 8.270 nan 0.000 0.446 243 Q N 1.133 120.627 119.800 -0.512 0.000 2.050 243 Q HA -0.230 4.110 4.340 -0.001 0.000 0.202 243 Q C 1.976 177.829 176.000 -0.246 0.000 0.980 243 Q CA 1.560 57.063 55.803 -0.501 0.000 0.840 243 Q CB 0.097 28.429 28.738 -0.677 0.000 0.898 243 Q HN 0.413 nan 8.270 nan 0.000 0.424 244 Q N -0.152 119.539 119.800 -0.181 0.000 2.029 244 Q HA -0.223 4.117 4.340 -0.001 0.000 0.209 244 Q C 2.282 178.247 176.000 -0.059 0.000 0.999 244 Q CA 1.856 57.603 55.803 -0.093 0.000 0.857 244 Q CB -0.442 28.247 28.738 -0.081 0.000 0.926 244 Q HN 0.313 nan 8.270 nan 0.000 0.415 245 S N -0.222 115.442 115.700 -0.060 0.000 2.419 245 S HA -0.181 4.289 4.470 -0.001 0.000 0.235 245 S C 1.873 176.425 174.600 -0.079 0.000 1.019 245 S CA 1.045 59.250 58.200 0.009 0.000 0.982 245 S CB -0.175 63.038 63.200 0.022 0.000 0.789 245 S HN 0.456 nan 8.310 nan 0.000 0.490 246 A N 0.324 123.061 122.820 -0.139 0.000 1.873 246 A HA -0.087 4.232 4.320 -0.001 0.000 0.215 246 A C 2.483 180.037 177.584 -0.049 0.000 1.186 246 A CA 1.510 53.455 52.037 -0.154 0.000 0.616 246 A CB -1.430 17.467 19.000 -0.172 0.000 0.823 246 A HN 0.711 nan 8.150 nan 0.000 0.442 247 C N 0.065 119.368 119.300 0.004 0.000 2.403 247 C HA -0.126 4.333 4.460 -0.001 0.000 0.279 247 C C 2.075 177.233 174.990 0.280 0.000 1.269 247 C CA 1.054 60.144 59.018 0.121 0.000 1.774 247 C CB -1.463 26.338 27.740 0.102 0.000 1.993 247 C HN 0.721 nan 8.230 nan 0.000 0.496 248 I N -1.248 119.451 120.570 0.214 0.000 3.858 248 I HA 0.416 4.585 4.170 -0.001 0.000 0.325 248 I C 1.201 177.577 176.117 0.431 0.000 1.403 248 I CA 0.675 62.178 61.300 0.338 0.000 1.169 248 I CB -0.907 37.183 38.000 0.151 0.000 1.077 248 I HN 0.303 nan 8.210 nan 0.000 0.403 249 G N 0.886 109.803 108.800 0.194 0.000 2.141 249 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.231 249 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.231 249 G C 0.491 174.996 174.900 -0.660 0.000 0.984 249 G CA -0.195 44.907 45.100 0.004 0.000 0.660 249 G HN 0.782 nan 8.290 nan 0.000 0.525 250 G N 0.129 108.310 108.800 -1.031 0.000 2.504 250 G HA2 0.652 4.611 3.960 -0.001 0.000 0.257 250 G HA3 0.652 4.611 3.960 -0.001 0.000 0.257 250 G C -1.770 172.634 174.900 -0.826 0.000 1.451 250 G CA -0.437 43.558 45.100 -1.842 0.000 1.059 250 G HN 0.295 nan 8.290 nan 0.000 0.550 251 P HA 0.205 nan 4.420 nan 0.000 0.269 251 P C -2.247 174.915 177.300 -0.229 0.000 1.215 251 P CA -0.682 62.244 63.100 -0.290 0.000 0.780 251 P CB 0.373 31.966 31.700 -0.178 0.000 0.898 252 P HA 0.063 nan 4.420 nan 0.000 0.276 252 P C -0.410 176.830 177.300 -0.100 0.000 1.230 252 P CA -0.129 62.901 63.100 -0.116 0.000 0.776 252 P CB 0.589 32.243 31.700 -0.076 0.000 0.888 253 N N 0.922 119.555 118.700 -0.111 0.000 2.441 253 N HA 0.135 4.874 4.740 -0.001 0.000 0.251 253 N C 0.239 175.769 175.510 0.034 0.000 1.242 253 N CA 0.211 53.194 53.050 -0.112 0.000 0.898 253 N CB 0.535 38.925 38.487 -0.163 0.000 1.100 253 N HN 0.479 nan 8.380 nan 0.000 0.443 254 A N 1.579 124.468 122.820 0.115 0.000 2.304 254 A HA 0.204 4.524 4.320 -0.001 0.000 0.271 254 A C 0.507 178.243 177.584 0.252 0.000 1.091 254 A CA -0.563 51.566 52.037 0.153 0.000 0.812 254 A CB 0.299 19.388 19.000 0.149 0.000 1.056 254 A HN 0.790 nan 8.150 nan 0.000 0.489 255 C N 1.615 120.982 119.300 0.112 0.000 2.676 255 C HA 0.263 4.723 4.460 -0.001 0.000 0.416 255 C C 1.547 176.512 174.990 -0.041 0.000 1.299 255 C CA -0.304 58.744 59.018 0.051 0.000 2.048 255 C CB -1.255 26.477 27.740 -0.013 0.000 2.713 255 C HN 0.739 nan 8.230 nan 0.000 0.624 256 L N 3.999 125.120 121.223 -0.170 0.000 2.650 256 L HA 0.038 4.378 4.340 -0.001 0.000 0.235 256 L C 1.666 178.340 176.870 -0.326 0.000 1.149 256 L CA 0.402 54.991 54.840 -0.419 0.000 0.887 256 L CB -0.527 41.164 42.059 -0.613 0.000 1.021 256 L HN 0.772 nan 8.230 nan 0.000 0.441 257 D N 0.082 120.346 120.400 -0.227 0.000 2.097 257 D HA -0.241 4.399 4.640 -0.001 0.000 0.195 257 D C 1.944 178.071 176.300 -0.289 0.000 0.989 257 D CA 1.074 54.948 54.000 -0.210 0.000 0.827 257 D CB 0.090 40.802 40.800 -0.147 0.000 0.966 257 D HN 0.390 nan 8.370 nan 0.000 0.456 258 Q N 0.475 120.065 119.800 -0.349 0.000 2.014 258 Q HA -0.184 4.156 4.340 -0.001 0.000 0.207 258 Q C 2.499 177.999 176.000 -0.833 0.000 0.993 258 Q CA 1.225 56.671 55.803 -0.595 0.000 0.850 258 Q CB -0.274 28.118 28.738 -0.577 0.000 0.916 258 Q HN 0.262 nan 8.270 nan 0.000 0.417 259 L N 0.270 121.145 121.223 -0.580 0.000 2.013 259 L HA -0.279 4.061 4.340 -0.001 0.000 0.212 259 L C 2.812 179.641 176.870 -0.069 0.000 1.073 259 L CA 1.923 56.588 54.840 -0.292 0.000 0.753 259 L CB -0.491 41.421 42.059 -0.246 0.000 0.890 259 L HN 0.481 nan 8.230 nan 0.000 0.432 260 Q N 0.025 119.712 119.800 -0.188 0.000 2.135 260 Q HA -0.274 4.066 4.340 -0.001 0.000 0.204 260 Q C 1.931 177.935 176.000 0.007 0.000 0.981 260 Q CA 2.111 57.856 55.803 -0.096 0.000 0.856 260 Q CB -0.012 28.634 28.738 -0.154 0.000 0.902 260 Q HN 0.411 nan 8.270 nan 0.000 0.425 261 N N -0.359 118.285 118.700 -0.093 0.000 2.058 261 N HA -0.181 4.558 4.740 -0.001 0.000 0.191 261 N C 1.221 176.834 175.510 0.171 0.000 1.037 261 N CA 1.894 54.934 53.050 -0.015 0.000 0.848 261 N CB -0.300 38.123 38.487 -0.106 0.000 1.021 261 N HN 0.337 nan 8.380 nan 0.000 0.422 262 W N 0.475 121.813 121.300 0.064 0.000 2.315 262 W HA -0.122 4.537 4.660 -0.001 0.000 0.323 262 W C 2.167 178.695 176.519 0.015 0.000 1.233 262 W CA 0.537 57.895 57.345 0.021 0.000 1.267 262 W CB -1.643 27.816 29.460 -0.002 0.000 1.160 262 W HN 0.066 nan 8.180 nan 0.000 0.474 263 F N 1.070 121.140 119.950 0.200 0.000 2.027 263 F HA -0.342 4.185 4.527 -0.001 0.000 0.297 263 F C 2.910 178.748 175.800 0.062 0.000 1.129 263 F CA 3.079 61.131 58.000 0.087 0.000 1.195 263 F CB -1.469 37.544 39.000 0.022 0.000 0.960 263 F HN -0.071 nan 8.300 nan 0.000 0.485 264 T N -0.676 114.028 114.554 0.250 0.000 2.759 264 T HA -0.214 4.136 4.350 -0.001 0.000 0.269 264 T C 1.998 176.771 174.700 0.123 0.000 1.042 264 T CA 1.802 63.995 62.100 0.156 0.000 1.140 264 T CB -0.887 68.042 68.868 0.102 0.000 0.864 264 T HN 0.309 nan 8.240 nan 0.000 0.455 265 I N 0.768 121.411 120.570 0.122 0.000 2.286 265 I HA -0.080 4.090 4.170 -0.001 0.000 0.248 265 I C 2.697 178.852 176.117 0.064 0.000 1.115 265 I CA 1.175 62.530 61.300 0.091 0.000 1.392 265 I CB -0.380 37.685 38.000 0.109 0.000 1.065 265 I HN 0.241 nan 8.210 nan 0.000 0.418 266 V N 0.448 120.393 119.914 0.053 0.000 2.788 266 V HA -0.032 4.088 4.120 -0.001 0.000 0.251 266 V C 2.462 178.594 176.094 0.063 0.000 1.068 266 V CA 1.524 63.833 62.300 0.015 0.000 1.090 266 V CB 0.037 31.824 31.823 -0.061 0.000 0.710 266 V HN 0.375 nan 8.190 nan 0.000 0.467 267 A N -0.194 122.693 122.820 0.112 0.000 1.969 267 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 267 A C 2.010 179.708 177.584 0.189 0.000 1.169 267 A CA 1.791 53.957 52.037 0.214 0.000 0.635 267 A CB -0.391 18.738 19.000 0.216 0.000 0.810 267 A HN 0.692 nan 8.150 nan 0.000 0.445 268 E N -0.239 120.024 120.200 0.105 0.000 2.112 268 E HA -0.064 4.285 4.350 -0.001 0.000 0.190 268 E C 2.224 178.833 176.600 0.015 0.000 0.979 268 E CA 1.014 57.446 56.400 0.053 0.000 0.814 268 E CB -0.115 29.611 29.700 0.044 0.000 0.762 268 E HN 0.544 nan 8.360 nan 0.000 0.460 269 S N 1.151 116.863 115.700 0.020 0.000 2.356 269 S HA -0.136 4.333 4.470 -0.001 0.000 0.223 269 S C 1.928 176.513 174.600 -0.025 0.000 1.032 269 S CA 0.892 59.089 58.200 -0.005 0.000 1.005 269 S CB -0.136 63.062 63.200 -0.003 0.000 0.867 269 S HN 0.067 nan 8.310 nan 0.000 0.449 270 L N 1.808 123.027 121.223 -0.006 0.000 2.046 270 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 270 L C 2.524 179.288 176.870 -0.177 0.000 1.077 270 L CA 1.573 56.381 54.840 -0.053 0.000 0.747 270 L CB -0.881 41.214 42.059 0.060 0.000 0.896 270 L HN 0.305 nan 8.230 nan 0.000 0.432 271 Q N -1.073 118.603 119.800 -0.206 0.000 2.181 271 Q HA -0.281 4.059 4.340 -0.001 0.000 0.205 271 Q C 2.239 178.148 176.000 -0.152 0.000 0.980 271 Q CA 1.566 57.206 55.803 -0.272 0.000 0.862 271 Q CB -0.138 28.483 28.738 -0.196 0.000 0.905 271 Q HN 0.593 nan 8.270 nan 0.000 0.429 272 Q N 0.063 119.807 119.800 -0.094 0.000 2.020 272 Q HA -0.129 4.211 4.340 -0.001 0.000 0.198 272 Q C 2.158 178.123 176.000 -0.058 0.000 0.974 272 Q CA 1.186 56.951 55.803 -0.062 0.000 0.829 272 Q CB 0.156 28.867 28.738 -0.046 0.000 0.894 272 Q HN 0.202 nan 8.270 nan 0.000 0.433 273 V N 1.248 121.124 119.914 -0.063 0.000 2.439 273 V HA -0.337 3.783 4.120 -0.001 0.000 0.253 273 V C 2.393 178.458 176.094 -0.048 0.000 1.074 273 V CA 2.225 64.495 62.300 -0.050 0.000 1.076 273 V CB -0.699 31.088 31.823 -0.059 0.000 0.664 273 V HN 0.363 nan 8.190 nan 0.000 0.461 274 R N -0.527 119.917 120.500 -0.093 0.000 2.081 274 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 274 R C 2.508 178.829 176.300 0.036 0.000 1.131 274 R CA 1.546 57.602 56.100 -0.073 0.000 0.960 274 R CB -0.108 30.093 30.300 -0.164 0.000 0.856 274 R HN 0.541 nan 8.270 nan 0.000 0.436 275 Q N 0.516 120.318 119.800 0.003 0.000 2.016 275 Q HA -0.201 4.139 4.340 -0.001 0.000 0.200 275 Q C 2.091 178.110 176.000 0.032 0.000 0.978 275 Q CA 1.658 57.473 55.803 0.021 0.000 0.833 275 Q CB -0.480 28.255 28.738 -0.004 0.000 0.895 275 Q HN 0.515 nan 8.270 nan 0.000 0.427 276 Q N 0.413 120.221 119.800 0.015 0.000 2.173 276 Q HA -0.134 4.206 4.340 -0.001 0.000 0.208 276 Q C 2.268 178.295 176.000 0.046 0.000 0.989 276 Q CA 1.058 56.873 55.803 0.020 0.000 0.872 276 Q CB -0.251 28.491 28.738 0.006 0.000 0.909 276 Q HN 0.309 nan 8.270 nan 0.000 0.420 277 L N 0.327 121.593 121.223 0.072 0.000 2.141 277 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 277 L C 2.194 179.138 176.870 0.124 0.000 1.094 277 L CA 1.137 56.052 54.840 0.126 0.000 0.763 277 L CB -0.206 41.986 42.059 0.222 0.000 0.908 277 L HN 0.169 nan 8.230 nan 0.000 0.437 278 K N 0.016 120.485 120.400 0.114 0.000 2.057 278 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 278 K C 2.109 178.735 176.600 0.043 0.000 1.050 278 K CA 1.089 57.422 56.287 0.076 0.000 0.935 278 K CB -0.033 32.511 32.500 0.073 0.000 0.715 278 K HN 0.232 nan 8.250 nan 0.000 0.439 279 K N 1.031 121.455 120.400 0.041 0.000 2.032 279 K HA -0.116 4.204 4.320 -0.001 0.000 0.209 279 K C 2.167 178.786 176.600 0.032 0.000 1.048 279 K CA 1.245 57.551 56.287 0.031 0.000 0.927 279 K CB -0.245 32.271 32.500 0.026 0.000 0.712 279 K HN 0.090 nan 8.250 nan 0.000 0.441 280 L N 1.173 122.418 121.223 0.037 0.000 2.042 280 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 280 L C 2.342 179.224 176.870 0.020 0.000 1.076 280 L CA 1.474 56.334 54.840 0.033 0.000 0.749 280 L CB -0.507 41.574 42.059 0.037 0.000 0.893 280 L HN 0.296 nan 8.230 nan 0.000 0.432 281 E N -0.020 120.188 120.200 0.014 0.000 2.110 281 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 281 E C 2.024 178.623 176.600 -0.002 0.000 0.988 281 E CA 1.088 57.483 56.400 -0.009 0.000 0.804 281 E CB -0.061 29.620 29.700 -0.030 0.000 0.745 281 E HN 0.545 nan 8.360 nan 0.000 0.458 282 E N 0.544 120.750 120.200 0.010 0.000 2.160 282 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 282 E C 2.130 178.750 176.600 0.034 0.000 0.991 282 E CA 0.687 57.098 56.400 0.018 0.000 0.810 282 E CB -0.024 29.689 29.700 0.022 0.000 0.742 282 E HN 0.294 nan 8.360 nan 0.000 0.466 283 L N 0.809 122.056 121.223 0.041 0.000 2.156 283 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 283 L C 2.632 179.546 176.870 0.074 0.000 1.095 283 L CA 1.152 56.033 54.840 0.069 0.000 0.770 283 L CB -0.571 41.533 42.059 0.074 0.000 0.914 283 L HN 0.214 nan 8.230 nan 0.000 0.439 284 E N 0.203 120.416 120.200 0.022 0.000 2.150 284 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 284 E C 1.950 178.552 176.600 0.003 0.000 0.985 284 E CA 0.840 57.227 56.400 -0.021 0.000 0.814 284 E CB -0.235 29.421 29.700 -0.074 0.000 0.752 284 E HN 0.520 nan 8.360 nan 0.000 0.466 285 Q N 0.731 120.540 119.800 0.015 0.000 2.170 285 Q HA -0.107 4.233 4.340 -0.001 0.000 0.203 285 Q C 1.981 178.020 176.000 0.064 0.000 0.976 285 Q CA 1.545 57.362 55.803 0.023 0.000 0.858 285 Q CB 0.010 28.756 28.738 0.014 0.000 0.907 285 Q HN 0.301 nan 8.270 nan 0.000 0.433 286 K N -1.063 119.393 120.400 0.094 0.000 2.167 286 K HA -0.046 4.274 4.320 -0.001 0.000 0.203 286 K C -0.139 176.611 176.600 0.250 0.000 1.052 286 K CA 0.548 56.918 56.287 0.139 0.000 0.956 286 K CB 0.380 32.957 32.500 0.128 0.000 0.735 286 K HN 0.019 nan 8.250 nan 0.000 0.451 287 Y N 0.027 120.373 120.300 0.078 0.000 2.424 287 Y HA 0.201 4.751 4.550 -0.000 0.000 0.323 287 Y C -1.287 174.695 175.900 0.138 0.000 1.174 287 Y CA -0.821 57.353 58.100 0.124 0.000 1.060 287 Y CB 1.495 40.048 38.460 0.155 0.000 1.314 287 Y HN -0.164 nan 8.280 nan 0.000 0.439 288 T N 4.758 119.011 114.554 -0.502 0.000 2.696 288 T HA 0.799 5.149 4.350 -0.001 0.000 0.291 288 T C -1.908 172.540 174.700 -0.420 0.000 1.095 288 T CA -0.529 61.270 62.100 -0.502 0.000 1.026 288 T CB 2.350 71.058 68.868 -0.267 0.000 1.390 288 T HN 0.705 nan 8.240 nan 0.000 0.513 289 Y N -2.305 117.783 120.300 -0.353 0.000 2.755 289 Y HA 0.409 4.958 4.550 -0.000 0.000 0.368 289 Y C 0.732 176.509 175.900 -0.204 0.000 1.177 289 Y CA -1.125 56.821 58.100 -0.255 0.000 1.290 289 Y CB -0.093 38.217 38.460 -0.250 0.000 1.415 289 Y HN 0.592 nan 8.280 nan 0.000 0.501 290 E N 0.290 120.438 120.200 -0.087 0.000 2.246 290 E HA -0.291 4.058 4.350 -0.001 0.000 0.232 290 E C 0.102 176.485 176.600 -0.362 0.000 1.087 290 E CA 2.479 58.697 56.400 -0.303 0.000 0.964 290 E CB -0.303 29.098 29.700 -0.499 0.000 0.827 290 E HN 0.664 nan 8.360 nan 0.000 0.476 291 H N -0.144 118.967 119.070 0.069 0.000 2.502 291 H HA 0.174 4.730 4.556 -0.001 0.000 0.268 291 H C -0.863 174.401 175.328 -0.106 0.000 1.177 291 H CA -0.385 55.672 56.048 0.015 0.000 0.961 291 H CB -0.473 29.348 29.762 0.097 0.000 1.737 291 H HN 0.077 nan 8.280 nan 0.000 0.569 292 D N 3.158 123.271 120.400 -0.479 0.000 2.342 292 D HA 0.025 4.664 4.640 -0.001 0.000 0.260 292 D C -1.105 175.015 176.300 -0.300 0.000 1.278 292 D CA -1.855 51.629 54.000 -0.860 0.000 0.910 292 D CB 1.474 41.500 40.800 -1.290 0.000 1.079 292 D HN 0.123 nan 8.370 nan 0.000 0.496 293 P HA -0.190 nan 4.420 nan 0.000 0.216 293 P C 1.784 179.056 177.300 -0.047 0.000 1.150 293 P CA 0.708 63.789 63.100 -0.032 0.000 0.837 293 P CB 0.246 31.965 31.700 0.032 0.000 0.786 294 I N -0.661 119.865 120.570 -0.073 0.000 3.164 294 I HA -0.131 4.039 4.170 -0.001 0.000 0.278 294 I C 1.135 177.207 176.117 -0.074 0.000 1.320 294 I CA 1.111 62.379 61.300 -0.053 0.000 1.422 294 I CB -0.080 37.891 38.000 -0.049 0.000 1.066 294 I HN -0.007 nan 8.210 nan 0.000 0.503 295 T N -0.918 113.573 114.554 -0.106 0.000 3.026 295 T HA 0.064 4.414 4.350 -0.001 0.000 0.245 295 T C 1.737 176.402 174.700 -0.059 0.000 1.004 295 T CA 0.069 62.110 62.100 -0.098 0.000 1.069 295 T CB 0.354 69.133 68.868 -0.149 0.000 1.005 295 T HN 0.189 nan 8.240 nan 0.000 0.472 296 K N 1.820 122.192 120.400 -0.046 0.000 1.980 296 K HA 0.090 4.410 4.320 -0.001 0.000 0.208 296 K C 1.923 178.521 176.600 -0.003 0.000 1.043 296 K CA 0.970 57.246 56.287 -0.018 0.000 0.938 296 K CB -0.109 32.388 32.500 -0.006 0.000 0.724 296 K HN 0.098 nan 8.250 nan 0.000 0.438 297 N N 1.782 120.484 118.700 0.004 0.000 2.519 297 N HA -0.152 4.588 4.740 -0.001 0.000 0.186 297 N C 1.484 177.013 175.510 0.031 0.000 1.062 297 N CA 0.648 53.710 53.050 0.019 0.000 0.910 297 N CB -0.024 38.477 38.487 0.022 0.000 0.958 297 N HN 0.254 nan 8.380 nan 0.000 0.445 298 K N 1.481 121.891 120.400 0.017 0.000 1.998 298 K HA -0.330 3.990 4.320 -0.001 0.000 0.228 298 K C 2.027 178.665 176.600 0.064 0.000 1.053 298 K CA 2.115 58.417 56.287 0.025 0.000 0.988 298 K CB -0.105 32.386 32.500 -0.016 0.000 0.735 298 K HN -0.036 nan 8.250 nan 0.000 0.448 299 Q N 0.373 120.198 119.800 0.043 0.000 2.050 299 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 299 Q C 1.972 178.048 176.000 0.127 0.000 0.980 299 Q CA 1.958 57.804 55.803 0.073 0.000 0.840 299 Q CB -0.188 28.566 28.738 0.027 0.000 0.898 299 Q HN 0.338 nan 8.270 nan 0.000 0.424 300 V N 0.727 120.692 119.914 0.085 0.000 2.231 300 V HA -0.336 3.784 4.120 -0.001 0.000 0.250 300 V C 2.357 178.512 176.094 0.102 0.000 1.058 300 V CA 2.178 64.527 62.300 0.081 0.000 1.022 300 V CB -0.862 30.989 31.823 0.047 0.000 0.640 300 V HN 0.416 nan 8.190 nan 0.000 0.445 301 L N -1.955 119.326 121.223 0.097 0.000 2.079 301 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 301 L C 2.316 179.255 176.870 0.115 0.000 1.081 301 L CA 2.141 57.032 54.840 0.085 0.000 0.752 301 L CB -0.554 41.550 42.059 0.074 0.000 0.896 301 L HN 0.494 nan 8.230 nan 0.000 0.433 302 W N 1.622 122.933 121.300 0.018 0.000 2.352 302 W HA -0.212 4.448 4.660 -0.001 0.000 0.322 302 W C 2.462 179.023 176.519 0.069 0.000 1.208 302 W CA 1.824 59.187 57.345 0.029 0.000 1.286 302 W CB -0.250 29.215 29.460 0.009 0.000 1.167 302 W HN 0.141 nan 8.180 nan 0.000 0.469 303 D N -0.452 120.144 120.400 0.326 0.000 2.149 303 D HA -0.273 4.367 4.640 -0.001 0.000 0.194 303 D C 2.081 178.451 176.300 0.116 0.000 1.001 303 D CA 1.884 56.018 54.000 0.223 0.000 0.849 303 D CB -0.733 40.194 40.800 0.213 0.000 0.939 303 D HN 0.231 nan 8.370 nan 0.000 0.449 304 R N 0.230 120.774 120.500 0.074 0.000 2.152 304 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 304 R C 1.577 177.871 176.300 -0.009 0.000 1.117 304 R CA 1.250 57.372 56.100 0.036 0.000 0.981 304 R CB -0.013 30.300 30.300 0.022 0.000 0.870 304 R HN 0.061 nan 8.270 nan 0.000 0.451 305 T N 0.049 114.559 114.554 -0.073 0.000 3.081 305 T HA -0.027 4.323 4.350 -0.001 0.000 0.255 305 T C 0.859 175.482 174.700 -0.127 0.000 1.113 305 T CA 0.362 62.383 62.100 -0.132 0.000 1.082 305 T CB -0.083 68.647 68.868 -0.231 0.000 0.939 305 T HN 0.218 nan 8.240 nan 0.000 0.506 306 F N 1.871 121.663 119.950 -0.263 0.000 2.179 306 F HA 0.049 4.576 4.527 -0.001 0.000 0.292 306 F C 2.356 178.149 175.800 -0.012 0.000 1.089 306 F CA 0.726 58.616 58.000 -0.183 0.000 1.295 306 F CB -0.475 38.394 39.000 -0.218 0.000 1.041 306 F HN -0.005 nan 8.300 nan 0.000 0.487 307 S N 1.523 117.213 115.700 -0.017 0.000 2.378 307 S HA -0.202 4.267 4.470 -0.001 0.000 0.221 307 S C 2.037 176.561 174.600 -0.128 0.000 1.037 307 S CA 1.594 59.750 58.200 -0.073 0.000 1.069 307 S CB -0.888 62.324 63.200 0.021 0.000 1.006 307 S HN 0.271 nan 8.310 nan 0.000 0.423 308 L N 0.287 121.469 121.223 -0.068 0.000 2.064 308 L HA -0.180 4.160 4.340 -0.001 0.000 0.216 308 L C 2.196 179.019 176.870 -0.079 0.000 1.077 308 L CA 1.946 56.748 54.840 -0.063 0.000 0.766 308 L CB -1.416 40.621 42.059 -0.035 0.000 0.890 308 L HN 0.324 nan 8.230 nan 0.000 0.435 309 F N 0.470 120.287 119.950 -0.222 0.000 2.206 309 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 309 F C 2.800 178.431 175.800 -0.281 0.000 1.090 309 F CA 1.607 59.468 58.000 -0.231 0.000 1.323 309 F CB -0.228 38.622 39.000 -0.249 0.000 1.028 309 F HN 0.156 nan 8.300 nan 0.000 0.492 310 Q N 0.229 119.734 119.800 -0.493 0.000 2.020 310 Q HA -0.288 4.052 4.340 -0.001 0.000 0.202 310 Q C 2.361 178.148 176.000 -0.355 0.000 0.982 310 Q CA 1.990 57.461 55.803 -0.552 0.000 0.838 310 Q CB -0.493 27.857 28.738 -0.647 0.000 0.899 310 Q HN 0.621 nan 8.270 nan 0.000 0.423 311 Q N 0.043 119.696 119.800 -0.245 0.000 2.014 311 Q HA -0.238 4.102 4.340 -0.001 0.000 0.207 311 Q C 2.287 178.212 176.000 -0.124 0.000 0.993 311 Q CA 1.978 57.698 55.803 -0.139 0.000 0.850 311 Q CB -0.312 28.369 28.738 -0.096 0.000 0.916 311 Q HN 0.437 nan 8.270 nan 0.000 0.417 312 L N 0.680 121.804 121.223 -0.166 0.000 2.013 312 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 312 L C 2.212 179.043 176.870 -0.064 0.000 1.073 312 L CA 1.906 56.681 54.840 -0.107 0.000 0.753 312 L CB -0.598 41.357 42.059 -0.174 0.000 0.890 312 L HN 0.515 nan 8.230 nan 0.000 0.432 313 I N -1.307 119.062 120.570 -0.336 0.000 2.353 313 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 313 I C 2.284 178.317 176.117 -0.141 0.000 1.119 313 I CA 1.237 62.353 61.300 -0.307 0.000 1.417 313 I CB -0.075 37.576 38.000 -0.580 0.000 1.078 313 I HN 0.495 nan 8.210 nan 0.000 0.421 314 Q N 0.090 119.819 119.800 -0.120 0.000 2.119 314 Q HA -0.146 4.193 4.340 -0.001 0.000 0.201 314 Q C 2.277 178.317 176.000 0.067 0.000 0.972 314 Q CA 1.838 57.629 55.803 -0.020 0.000 0.847 314 Q CB -0.075 28.649 28.738 -0.023 0.000 0.903 314 Q HN 0.448 nan 8.270 nan 0.000 0.433 315 S N 0.972 116.719 115.700 0.079 0.000 2.402 315 S HA -0.112 4.358 4.470 -0.001 0.000 0.229 315 S C 2.131 176.775 174.600 0.073 0.000 1.021 315 S CA 1.195 59.476 58.200 0.136 0.000 0.974 315 S CB -0.151 63.180 63.200 0.219 0.000 0.800 315 S HN 0.507 nan 8.310 nan 0.000 0.484 316 S N 0.899 116.608 115.700 0.015 0.000 2.447 316 S HA 0.025 4.494 4.470 -0.001 0.000 0.233 316 S C 0.476 174.969 174.600 -0.179 0.000 1.006 316 S CA 0.119 58.086 58.200 -0.388 0.000 0.957 316 S CB -0.553 62.474 63.200 -0.288 0.000 0.773 316 S HN 0.323 nan 8.310 nan 0.000 0.507 317 F N 2.809 122.652 119.950 -0.178 0.000 2.494 317 F HA 0.601 5.128 4.527 -0.001 0.000 0.369 317 F C -0.086 175.651 175.800 -0.105 0.000 1.098 317 F CA -1.402 56.526 58.000 -0.121 0.000 1.154 317 F CB 0.569 39.539 39.000 -0.050 0.000 1.103 317 F HN 0.018 nan 8.300 nan 0.000 0.549 318 V N 6.435 126.220 119.914 -0.215 0.000 3.130 318 V HA 0.506 4.626 4.120 -0.001 0.000 0.310 318 V C -1.289 174.618 176.094 -0.311 0.000 1.158 318 V CA -0.791 61.353 62.300 -0.259 0.000 1.029 318 V CB 2.647 34.357 31.823 -0.188 0.000 1.057 318 V HN 0.287 nan 8.190 nan 0.000 0.436 319 V N 4.467 124.265 119.914 -0.193 0.000 2.299 319 V HA 0.199 4.319 4.120 -0.001 0.000 0.255 319 V C 1.249 177.345 176.094 0.003 0.000 1.100 319 V CA 0.709 62.902 62.300 -0.178 0.000 0.938 319 V CB 0.322 32.071 31.823 -0.123 0.000 1.139 319 V HN 1.056 nan 8.190 nan 0.000 0.490 320 E N 3.902 124.084 120.200 -0.030 0.000 2.038 320 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 320 E C 1.246 177.941 176.600 0.159 0.000 1.000 320 E CA 1.028 57.482 56.400 0.092 0.000 0.803 320 E CB 0.283 29.963 29.700 -0.033 0.000 0.750 320 E HN 0.439 nan 8.360 nan 0.000 0.448 321 R N 1.468 121.999 120.500 0.052 0.000 2.337 321 R HA 0.147 4.487 4.340 -0.001 0.000 0.319 321 R C -1.148 175.175 176.300 0.038 0.000 0.954 321 R CA -0.639 55.495 56.100 0.055 0.000 0.840 321 R CB 0.838 31.164 30.300 0.043 0.000 1.164 321 R HN 0.101 nan 8.270 nan 0.000 0.472 322 Q N 3.733 123.560 119.800 0.045 0.000 2.450 322 Q HA 0.064 4.403 4.340 -0.001 0.000 0.294 322 Q C -1.938 174.109 176.000 0.078 0.000 1.129 322 Q CA -1.135 54.698 55.803 0.050 0.000 0.970 322 Q CB -0.207 28.556 28.738 0.041 0.000 1.294 322 Q HN 0.449 nan 8.270 nan 0.000 0.453 323 P HA 0.013 nan 4.420 nan 0.000 0.267 323 P C -0.563 176.798 177.300 0.101 0.000 1.201 323 P CA 0.054 63.233 63.100 0.131 0.000 0.775 323 P CB 0.559 32.263 31.700 0.006 0.000 0.854 324 C N 2.727 122.124 119.300 0.161 0.000 3.099 324 C HA 0.351 4.810 4.460 -0.001 0.000 0.357 324 C C -1.393 173.714 174.990 0.194 0.000 1.171 324 C CA -0.600 58.498 59.018 0.134 0.000 1.129 324 C CB 0.223 28.027 27.740 0.106 0.000 1.420 324 C HN 0.460 nan 8.230 nan 0.000 0.510 325 M N 4.345 124.047 119.600 0.170 0.000 2.144 325 M HA 0.294 4.774 4.480 -0.001 0.000 0.356 325 M C -1.693 174.677 176.300 0.116 0.000 1.217 325 M CA -1.357 54.056 55.300 0.189 0.000 1.087 325 M CB 1.644 34.398 32.600 0.256 0.000 1.609 325 M HN 0.444 nan 8.290 nan 0.000 0.467 326 P HA -0.102 nan 4.420 nan 0.000 0.221 326 P C 0.725 177.992 177.300 -0.055 0.000 1.145 326 P CA 1.217 64.322 63.100 0.007 0.000 0.795 326 P CB 0.136 31.836 31.700 0.001 0.000 0.775 327 T N -2.480 112.009 114.554 -0.108 0.000 3.100 327 T HA 0.008 4.357 4.350 -0.001 0.000 0.253 327 T C 0.516 174.869 174.700 -0.579 0.000 1.118 327 T CA 0.726 62.641 62.100 -0.309 0.000 1.058 327 T CB -0.346 68.303 68.868 -0.364 0.000 0.953 327 T HN 0.255 nan 8.240 nan 0.000 0.515 328 H N 0.642 119.684 119.070 -0.047 0.000 2.535 328 H HA 0.202 4.757 4.556 -0.001 0.000 0.232 328 H C -1.836 173.437 175.328 -0.091 0.000 1.405 328 H CA -1.787 54.208 56.048 -0.087 0.000 1.224 328 H CB 0.812 30.518 29.762 -0.092 0.000 1.763 328 H HN 0.187 nan 8.280 nan 0.000 0.529 329 P HA -0.178 nan 4.420 nan 0.000 0.218 329 P C 0.772 178.049 177.300 -0.039 0.000 1.146 329 P CA 1.203 64.291 63.100 -0.021 0.000 0.820 329 P CB 0.532 32.210 31.700 -0.036 0.000 0.778 330 Q N -1.081 118.666 119.800 -0.088 0.000 2.204 330 Q HA 0.195 4.534 4.340 -0.001 0.000 0.209 330 Q C 0.389 176.157 176.000 -0.387 0.000 0.861 330 Q CA 0.211 55.921 55.803 -0.155 0.000 0.971 330 Q CB 0.272 28.921 28.738 -0.149 0.000 1.095 330 Q HN 0.219 nan 8.270 nan 0.000 0.486 331 R N 0.382 120.676 120.500 -0.343 0.000 2.754 331 R HA 0.163 4.502 4.340 -0.001 0.000 0.255 331 R C -2.144 174.122 176.300 -0.056 0.000 1.723 331 R CA -0.890 54.857 56.100 -0.589 0.000 1.596 331 R CB 1.024 30.883 30.300 -0.736 0.000 1.424 331 R HN 0.031 nan 8.270 nan 0.000 0.662 332 P HA -0.122 nan 4.420 nan 0.000 0.220 332 P C 0.693 178.083 177.300 0.150 0.000 1.148 332 P CA 1.035 64.225 63.100 0.150 0.000 0.803 332 P CB 0.513 32.300 31.700 0.145 0.000 0.782 333 L N -0.616 120.742 121.223 0.226 0.000 2.769 333 L HA 0.189 4.529 4.340 -0.001 0.000 0.240 333 L C 0.291 177.188 176.870 0.044 0.000 1.163 333 L CA -0.228 54.665 54.840 0.089 0.000 0.962 333 L CB 0.618 42.707 42.059 0.050 0.000 1.258 333 L HN -0.305 nan 8.230 nan 0.000 0.513 334 V N 2.045 122.006 119.914 0.078 0.000 2.294 334 V HA 0.280 4.399 4.120 -0.001 0.000 0.272 334 V C 0.129 176.193 176.094 -0.051 0.000 1.027 334 V CA -0.294 62.019 62.300 0.022 0.000 0.823 334 V CB 1.187 33.054 31.823 0.075 0.000 1.030 334 V HN 0.150 nan 8.190 nan 0.000 0.457 335 L N 4.951 126.103 121.223 -0.118 0.000 2.275 335 L HA 0.559 4.899 4.340 -0.001 0.000 0.288 335 L C 0.210 177.009 176.870 -0.118 0.000 1.046 335 L CA -0.353 54.393 54.840 -0.157 0.000 0.805 335 L CB 1.297 43.124 42.059 -0.387 0.000 1.193 335 L HN 0.525 nan 8.230 nan 0.000 0.426 336 K N 2.372 122.751 120.400 -0.035 0.000 2.185 336 K HA 0.321 4.641 4.320 -0.001 0.000 0.269 336 K C -0.265 176.339 176.600 0.007 0.000 0.987 336 K CA -0.537 55.739 56.287 -0.020 0.000 0.865 336 K CB 1.470 33.980 32.500 0.015 0.000 1.090 336 K HN 0.498 nan 8.250 nan 0.000 0.450 337 T N 2.447 116.994 114.554 -0.012 0.000 2.934 337 T HA 0.072 4.422 4.350 -0.001 0.000 0.321 337 T C 1.152 175.881 174.700 0.048 0.000 1.080 337 T CA 1.857 63.971 62.100 0.023 0.000 1.132 337 T CB 0.324 69.233 68.868 0.070 0.000 1.039 337 T HN 0.935 nan 8.240 nan 0.000 0.543 338 G N 2.074 110.907 108.800 0.054 0.000 2.550 338 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.233 338 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.233 338 G C 0.340 175.275 174.900 0.058 0.000 1.170 338 G CA 0.191 45.321 45.100 0.050 0.000 0.693 338 G HN 0.857 nan 8.290 nan 0.000 0.512 339 V N 3.115 123.074 119.914 0.075 0.000 2.881 339 V HA 0.485 4.604 4.120 -0.001 0.000 0.303 339 V C 0.713 176.875 176.094 0.114 0.000 1.070 339 V CA 0.419 62.772 62.300 0.088 0.000 1.074 339 V CB 1.563 33.449 31.823 0.104 0.000 1.012 339 V HN 0.719 nan 8.190 nan 0.000 0.482 340 Q N 3.354 123.200 119.800 0.077 0.000 2.347 340 Q HA 0.562 4.902 4.340 -0.001 0.000 0.262 340 Q C -0.838 175.156 176.000 -0.010 0.000 0.980 340 Q CA -0.579 55.221 55.803 -0.006 0.000 0.867 340 Q CB 1.209 29.933 28.738 -0.023 0.000 1.242 340 Q HN 0.635 nan 8.270 nan 0.000 0.453 341 F N -0.068 119.900 119.950 0.030 0.000 2.348 341 F HA 0.735 5.262 4.527 -0.001 0.000 0.308 341 F C -0.247 175.571 175.800 0.030 0.000 1.175 341 F CA -0.877 57.142 58.000 0.031 0.000 1.080 341 F CB 0.733 39.754 39.000 0.035 0.000 1.341 341 F HN 0.298 nan 8.300 nan 0.000 0.518 342 T N 1.275 115.952 114.554 0.206 0.000 2.848 342 T HA 0.638 4.987 4.350 -0.001 0.000 0.285 342 T C -0.963 173.871 174.700 0.223 0.000 0.995 342 T CA -0.567 61.600 62.100 0.112 0.000 0.970 342 T CB 1.580 70.471 68.868 0.038 0.000 0.976 342 T HN 0.592 nan 8.240 nan 0.000 0.441 343 V N 2.582 122.627 119.914 0.219 0.000 2.914 343 V HA 0.672 4.792 4.120 -0.001 0.000 0.314 343 V C -0.400 175.755 176.094 0.102 0.000 1.084 343 V CA -1.081 61.319 62.300 0.166 0.000 0.963 343 V CB 2.392 34.316 31.823 0.169 0.000 1.025 343 V HN 0.740 nan 8.190 nan 0.000 0.432 344 K N 2.605 123.004 120.400 -0.001 0.000 2.507 344 K HA 0.694 5.013 4.320 -0.001 0.000 0.252 344 K C -1.570 174.956 176.600 -0.123 0.000 0.943 344 K CA -0.539 55.733 56.287 -0.025 0.000 0.808 344 K CB 1.490 33.980 32.500 -0.017 0.000 1.142 344 K HN 0.631 nan 8.250 nan 0.000 0.426 345 L N 2.888 124.035 121.223 -0.126 0.000 2.365 345 L HA 0.669 5.009 4.340 -0.001 0.000 0.267 345 L C -0.127 176.685 176.870 -0.096 0.000 1.033 345 L CA -1.093 53.622 54.840 -0.207 0.000 0.802 345 L CB 1.660 43.601 42.059 -0.197 0.000 1.267 345 L HN 0.650 nan 8.230 nan 0.000 0.457 346 R N 1.027 121.475 120.500 -0.086 0.000 2.633 346 R HA 0.404 4.743 4.340 -0.001 0.000 0.255 346 R C -2.290 174.020 176.300 0.017 0.000 1.106 346 R CA -0.763 55.310 56.100 -0.045 0.000 0.959 346 R CB 1.506 31.729 30.300 -0.129 0.000 1.259 346 R HN 0.419 nan 8.270 nan 0.000 0.453 347 L N 5.872 127.107 121.223 0.021 0.000 2.276 347 L HA 0.386 4.726 4.340 -0.001 0.000 0.286 347 L C 0.060 176.859 176.870 -0.119 0.000 1.024 347 L CA -0.195 54.646 54.840 0.002 0.000 0.826 347 L CB 1.445 43.502 42.059 -0.002 0.000 1.211 347 L HN 0.816 nan 8.230 nan 0.000 0.422 348 L N 4.875 125.945 121.223 -0.254 0.000 2.711 348 L HA -0.009 4.330 4.340 -0.001 0.000 0.242 348 L C 1.326 178.103 176.870 -0.155 0.000 1.153 348 L CA -0.006 54.631 54.840 -0.338 0.000 0.898 348 L CB -0.301 41.303 42.059 -0.759 0.000 1.044 348 L HN 0.545 nan 8.230 nan 0.000 0.437 349 V N -1.094 118.780 119.914 -0.066 0.000 2.992 349 V HA -0.032 4.088 4.120 -0.001 0.000 0.250 349 V C 0.940 177.063 176.094 0.049 0.000 1.090 349 V CA 0.160 62.487 62.300 0.045 0.000 1.101 349 V CB -0.351 31.495 31.823 0.040 0.000 0.743 349 V HN 0.481 nan 8.190 nan 0.000 0.468 350 K N 0.995 121.402 120.400 0.012 0.000 5.617 350 K HA -0.186 4.134 4.320 -0.001 0.000 0.401 350 K C -0.848 175.778 176.600 0.044 0.000 0.978 350 K CA 0.300 56.598 56.287 0.019 0.000 1.200 350 K CB -1.023 31.486 32.500 0.015 0.000 1.863 350 K HN 0.346 nan 8.250 nan 0.000 0.382 351 L N 2.567 123.817 121.223 0.046 0.000 2.415 351 L HA 0.098 4.438 4.340 -0.001 0.000 0.268 351 L C 1.363 178.264 176.870 0.051 0.000 0.984 351 L CA -0.785 54.091 54.840 0.060 0.000 0.853 351 L CB 1.600 43.713 42.059 0.090 0.000 1.215 351 L HN 0.407 nan 8.230 nan 0.000 0.419 352 Q N 2.709 122.537 119.800 0.046 0.000 2.045 352 Q HA -0.261 4.079 4.340 -0.001 0.000 0.215 352 Q C 1.132 177.166 176.000 0.057 0.000 1.026 352 Q CA 2.696 58.528 55.803 0.047 0.000 0.885 352 Q CB 0.067 28.828 28.738 0.038 0.000 0.984 352 Q HN 0.707 nan 8.270 nan 0.000 0.414 353 E N -0.412 119.819 120.200 0.051 0.000 2.381 353 E HA 0.024 4.374 4.350 -0.001 0.000 0.198 353 E C 0.484 177.122 176.600 0.063 0.000 1.204 353 E CA 0.325 56.757 56.400 0.053 0.000 0.998 353 E CB -0.386 29.339 29.700 0.042 0.000 1.080 353 E HN 0.393 nan 8.360 nan 0.000 0.481 354 L N -0.422 120.840 121.223 0.066 0.000 3.259 354 L HA 0.375 4.715 4.340 -0.001 0.000 0.292 354 L C -0.660 176.244 176.870 0.056 0.000 1.219 354 L CA -0.293 54.582 54.840 0.059 0.000 1.035 354 L CB 0.289 42.379 42.059 0.050 0.000 1.424 354 L HN 0.047 nan 8.230 nan 0.000 0.603 355 N N -0.471 118.287 118.700 0.096 0.000 2.472 355 N HA 0.179 4.918 4.740 -0.001 0.000 0.277 355 N C -0.453 175.225 175.510 0.281 0.000 1.081 355 N CA 0.198 53.327 53.050 0.132 0.000 0.973 355 N CB 0.241 38.851 38.487 0.205 0.000 1.105 355 N HN 0.166 nan 8.380 nan 0.000 0.470 356 Y N 0.728 121.029 120.300 0.001 0.000 4.272 356 Y HA -0.277 4.273 4.550 -0.001 0.000 0.232 356 Y C 0.680 176.585 175.900 0.008 0.000 1.149 356 Y CA 0.423 58.525 58.100 0.003 0.000 1.961 356 Y CB -2.078 36.383 38.460 0.002 0.000 1.611 356 Y HN 0.670 nan 8.280 nan 0.000 0.682 357 N N -0.346 118.413 118.700 0.098 0.000 2.503 357 N HA 0.224 4.963 4.740 -0.001 0.000 0.210 357 N C 0.241 175.773 175.510 0.037 0.000 1.077 357 N CA 0.104 53.197 53.050 0.072 0.000 0.855 357 N CB 0.355 38.881 38.487 0.065 0.000 1.323 357 N HN 0.210 nan 8.380 nan 0.000 0.452 358 L N 2.319 123.546 121.223 0.005 0.000 2.325 358 L HA 0.226 4.565 4.340 -0.001 0.000 0.284 358 L C 0.544 177.419 176.870 0.009 0.000 1.089 358 L CA -0.060 54.769 54.840 -0.018 0.000 0.836 358 L CB 0.515 42.530 42.059 -0.072 0.000 1.184 358 L HN -0.131 nan 8.230 nan 0.000 0.444 359 K N 3.399 123.820 120.400 0.037 0.000 2.234 359 K HA 0.463 4.783 4.320 -0.001 0.000 0.277 359 K C -0.937 175.738 176.600 0.125 0.000 1.038 359 K CA -0.565 55.768 56.287 0.076 0.000 0.888 359 K CB 1.277 33.824 32.500 0.077 0.000 1.091 359 K HN 0.325 nan 8.250 nan 0.000 0.467 360 V N 4.833 124.871 119.914 0.207 0.000 2.481 360 V HA 0.319 4.439 4.120 -0.001 0.000 0.286 360 V C -0.525 175.793 176.094 0.373 0.000 1.042 360 V CA -0.655 61.850 62.300 0.342 0.000 0.928 360 V CB 1.399 33.541 31.823 0.532 0.000 0.986 360 V HN 0.742 nan 8.190 nan 0.000 0.462 361 K N 3.499 124.085 120.400 0.311 0.000 2.345 361 K HA 0.697 5.016 4.320 -0.001 0.000 0.255 361 K C -1.385 175.303 176.600 0.147 0.000 0.934 361 K CA -0.754 55.675 56.287 0.236 0.000 0.801 361 K CB 2.364 34.965 32.500 0.167 0.000 1.137 361 K HN 0.374 nan 8.250 nan 0.000 0.424 362 V N 4.152 124.097 119.914 0.051 0.000 2.432 362 V HA 0.307 4.426 4.120 -0.001 0.000 0.275 362 V C -0.422 175.578 176.094 -0.158 0.000 1.043 362 V CA -0.761 61.426 62.300 -0.188 0.000 0.925 362 V CB 0.572 32.261 31.823 -0.224 0.000 0.985 362 V HN 0.518 nan 8.190 nan 0.000 0.466 363 L N 4.696 125.784 121.223 -0.224 0.000 2.341 363 L HA 0.617 4.956 4.340 -0.001 0.000 0.267 363 L C -0.661 176.189 176.870 -0.032 0.000 1.009 363 L CA -0.254 54.528 54.840 -0.098 0.000 0.819 363 L CB 1.758 43.774 42.059 -0.072 0.000 1.323 363 L HN 0.522 nan 8.230 nan 0.000 0.425 364 F N 1.442 121.311 119.950 -0.135 0.000 2.469 364 F HA 0.383 4.910 4.527 -0.001 0.000 0.332 364 F C 0.355 176.138 175.800 -0.027 0.000 1.103 364 F CA -0.685 57.255 58.000 -0.099 0.000 0.979 364 F CB 0.964 39.919 39.000 -0.076 0.000 1.137 364 F HN 0.664 nan 8.300 nan 0.000 0.463 365 D N 2.822 122.912 120.400 -0.517 0.000 2.701 365 D HA -0.276 4.364 4.640 -0.001 0.000 0.235 365 D C 0.124 176.380 176.300 -0.074 0.000 1.155 365 D CA 0.667 54.519 54.000 -0.246 0.000 0.649 365 D CB -0.499 40.276 40.800 -0.040 0.000 1.050 365 D HN 0.547 nan 8.370 nan 0.000 0.425 366 K N 1.301 121.648 120.400 -0.089 0.000 2.416 366 K HA 0.011 4.331 4.320 -0.001 0.000 0.283 366 K C 0.096 176.675 176.600 -0.036 0.000 1.037 366 K CA 0.031 56.293 56.287 -0.042 0.000 0.995 366 K CB 0.524 32.995 32.500 -0.048 0.000 0.938 366 K HN 0.002 nan 8.250 nan 0.000 0.475 367 D N 1.941 122.332 120.400 -0.014 0.000 2.705 367 D HA -0.135 4.504 4.640 -0.001 0.000 0.240 367 D C -1.094 175.189 176.300 -0.029 0.000 1.137 367 D CA 0.586 54.576 54.000 -0.016 0.000 0.677 367 D CB -0.976 39.815 40.800 -0.015 0.000 1.049 367 D HN 0.178 nan 8.370 nan 0.000 0.427 368 V N 2.002 121.903 119.914 -0.022 0.000 2.305 368 V HA 0.117 4.237 4.120 -0.001 0.000 0.275 368 V C 1.357 177.407 176.094 -0.072 0.000 1.020 368 V CA -0.791 61.486 62.300 -0.039 0.000 0.811 368 V CB 1.493 33.324 31.823 0.013 0.000 1.031 368 V HN 0.143 nan 8.190 nan 0.000 0.439 369 N N 2.708 121.347 118.700 -0.100 0.000 2.289 369 N HA -0.156 4.584 4.740 -0.001 0.000 0.184 369 N C 1.406 176.779 175.510 -0.229 0.000 1.016 369 N CA 0.931 53.909 53.050 -0.120 0.000 0.872 369 N CB 0.309 38.740 38.487 -0.094 0.000 0.973 369 N HN 0.615 nan 8.380 nan 0.000 0.433 370 E N 1.030 121.003 120.200 -0.378 0.000 2.333 370 E HA -0.125 4.225 4.350 -0.001 0.000 0.200 370 E C 1.835 177.800 176.600 -1.058 0.000 1.010 370 E CA 0.572 56.520 56.400 -0.753 0.000 0.841 370 E CB -0.128 28.959 29.700 -1.022 0.000 0.757 370 E HN 0.381 nan 8.360 nan 0.000 0.508 371 R N 0.200 120.378 120.500 -0.537 0.000 2.083 371 R HA -0.076 4.264 4.340 -0.001 0.000 0.237 371 R C 1.702 177.994 176.300 -0.013 0.000 1.137 371 R CA 1.514 57.593 56.100 -0.034 0.000 0.951 371 R CB -0.203 30.177 30.300 0.133 0.000 0.851 371 R HN 0.252 nan 8.270 nan 0.000 0.434 372 N N -0.484 118.174 118.700 -0.070 0.000 2.240 372 N HA -0.043 4.697 4.740 -0.001 0.000 0.187 372 N C 1.850 177.322 175.510 -0.063 0.000 1.042 372 N CA 1.310 54.340 53.050 -0.033 0.000 0.861 372 N CB -0.735 37.736 38.487 -0.026 0.000 1.026 372 N HN 0.030 nan 8.380 nan 0.000 0.441 373 T N 2.155 116.646 114.554 -0.105 0.000 2.721 373 T HA -0.071 4.278 4.350 -0.001 0.000 0.268 373 T C 0.962 175.601 174.700 -0.101 0.000 1.038 373 T CA 0.807 62.847 62.100 -0.100 0.000 1.145 373 T CB -0.138 68.660 68.868 -0.117 0.000 0.858 373 T HN -0.034 nan 8.240 nan 0.000 0.459 374 V N 2.102 121.911 119.914 -0.174 0.000 2.465 374 V HA 0.281 4.400 4.120 -0.001 0.000 0.279 374 V C 0.232 176.349 176.094 0.038 0.000 1.045 374 V CA -1.087 61.156 62.300 -0.097 0.000 0.938 374 V CB 1.498 33.204 31.823 -0.195 0.000 0.986 374 V HN 0.206 nan 8.190 nan 0.000 0.467 375 K N 2.849 123.289 120.400 0.067 0.000 2.202 375 K HA 0.447 4.767 4.320 -0.001 0.000 0.264 375 K C 1.319 178.005 176.600 0.142 0.000 1.010 375 K CA 0.742 57.083 56.287 0.090 0.000 0.940 375 K CB 0.652 33.188 32.500 0.060 0.000 0.983 375 K HN 0.958 nan 8.250 nan 0.000 0.475 376 G N 3.138 112.015 108.800 0.128 0.000 2.322 376 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.264 376 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.264 376 G C 0.145 175.149 174.900 0.173 0.000 0.992 376 G CA 0.410 45.584 45.100 0.124 0.000 0.624 376 G HN 0.661 nan 8.290 nan 0.000 0.543 377 F N 4.005 123.993 119.950 0.062 0.000 2.548 377 F HA 0.265 4.791 4.527 -0.001 0.000 0.403 377 F C 1.509 177.376 175.800 0.110 0.000 1.004 377 F CA 0.546 58.605 58.000 0.098 0.000 1.177 377 F CB 0.388 39.437 39.000 0.082 0.000 0.974 377 F HN 0.517 nan 8.300 nan 0.000 0.541 378 R N 5.150 125.513 120.500 -0.229 0.000 2.500 378 R HA 0.594 4.933 4.340 -0.001 0.000 0.277 378 R C -1.015 175.134 176.300 -0.253 0.000 1.026 378 R CA -1.062 54.904 56.100 -0.223 0.000 1.058 378 R CB 1.076 31.226 30.300 -0.250 0.000 1.078 378 R HN 0.500 nan 8.270 nan 0.000 0.509 379 K N 1.358 121.556 120.400 -0.338 0.000 2.203 379 K HA 0.468 4.788 4.320 -0.001 0.000 0.251 379 K C -1.156 175.167 176.600 -0.462 0.000 0.944 379 K CA -0.551 55.641 56.287 -0.158 0.000 0.829 379 K CB 1.359 33.833 32.500 -0.044 0.000 1.125 379 K HN 0.304 nan 8.250 nan 0.000 0.430 380 F N 0.097 120.030 119.950 -0.028 0.000 2.629 380 F HA 0.425 4.952 4.527 -0.001 0.000 0.316 380 F C -0.002 175.681 175.800 -0.196 0.000 1.081 380 F CA -1.058 56.828 58.000 -0.190 0.000 0.954 380 F CB 1.636 40.362 39.000 -0.457 0.000 1.337 380 F HN 0.337 nan 8.300 nan 0.000 0.474 381 N N 1.102 119.774 118.700 -0.046 0.000 2.269 381 N HA 0.547 5.286 4.740 -0.001 0.000 0.304 381 N C -0.737 174.664 175.510 -0.182 0.000 1.072 381 N CA -0.456 52.538 53.050 -0.093 0.000 0.802 381 N CB 2.497 40.959 38.487 -0.042 0.000 1.348 381 N HN 0.417 nan 8.380 nan 0.000 0.484 382 I N 0.936 121.368 120.570 -0.231 0.000 3.138 382 I HA 0.034 4.204 4.170 -0.001 0.000 0.288 382 I C 1.028 177.078 176.117 -0.111 0.000 1.148 382 I CA -0.064 61.115 61.300 -0.200 0.000 1.315 382 I CB 0.610 38.475 38.000 -0.225 0.000 1.426 382 I HN 0.415 nan 8.210 nan 0.000 0.615 383 L N 1.066 122.313 121.223 0.040 0.000 2.437 383 L HA 0.362 4.702 4.340 -0.001 0.000 0.188 383 L C 1.557 178.581 176.870 0.257 0.000 1.123 383 L CA 1.286 56.236 54.840 0.183 0.000 0.981 383 L CB -0.861 41.248 42.059 0.083 0.000 1.935 383 L HN 0.680 nan 8.230 nan 0.000 0.494 384 G N -0.360 108.531 108.800 0.152 0.000 2.950 384 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.190 384 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.190 384 G C -0.036 174.949 174.900 0.143 0.000 1.458 384 G CA 1.127 46.301 45.100 0.124 0.000 0.800 384 G HN 0.303 nan 8.290 nan 0.000 0.685 385 T N 0.179 114.850 114.554 0.195 0.000 3.042 385 T HA 0.399 4.748 4.350 -0.001 0.000 0.356 385 T C 0.791 175.695 174.700 0.339 0.000 1.233 385 T CA -0.185 62.026 62.100 0.187 0.000 1.038 385 T CB 0.527 69.501 68.868 0.176 0.000 1.089 385 T HN 0.472 nan 8.240 nan 0.000 0.531 386 H N 1.313 120.471 119.070 0.147 0.000 2.489 386 H HA -0.022 4.533 4.556 -0.001 0.000 0.295 386 H C 0.709 176.181 175.328 0.241 0.000 1.082 386 H CA 0.218 56.355 56.048 0.148 0.000 1.295 386 H CB 0.391 30.212 29.762 0.099 0.000 1.380 386 H HN 0.328 nan 8.280 nan 0.000 0.548 387 T N 0.131 114.910 114.554 0.374 0.000 2.907 387 T HA 0.470 4.819 4.350 -0.001 0.000 0.292 387 T C -0.671 174.205 174.700 0.292 0.000 1.043 387 T CA -0.946 61.370 62.100 0.360 0.000 1.003 387 T CB 3.054 72.049 68.868 0.212 0.000 1.084 387 T HN 0.088 nan 8.240 nan 0.000 0.483 388 K N 1.916 122.453 120.400 0.228 0.000 2.587 388 K HA 0.434 4.754 4.320 -0.001 0.000 0.256 388 K C -1.264 175.308 176.600 -0.047 0.000 0.974 388 K CA -0.499 55.751 56.287 -0.062 0.000 0.855 388 K CB 1.384 33.549 32.500 -0.558 0.000 1.292 388 K HN 0.412 nan 8.250 nan 0.000 0.444 389 V N 4.969 124.853 119.914 -0.051 0.000 2.740 389 V HA 0.127 4.247 4.120 -0.001 0.000 0.303 389 V C 0.783 176.788 176.094 -0.147 0.000 1.054 389 V CA 0.147 62.411 62.300 -0.060 0.000 1.106 389 V CB 0.860 32.656 31.823 -0.046 0.000 0.957 389 V HN 0.765 nan 8.190 nan 0.000 0.486 390 M N 5.127 124.649 119.600 -0.129 0.000 2.211 390 M HA 0.319 4.799 4.480 -0.001 0.000 0.356 390 M C 0.033 176.146 176.300 -0.312 0.000 1.216 390 M CA 0.139 55.340 55.300 -0.165 0.000 1.134 390 M CB 0.507 33.063 32.600 -0.073 0.000 1.564 390 M HN 0.723 nan 8.290 nan 0.000 0.463 391 N N 2.377 120.883 118.700 -0.324 0.000 3.002 391 N HA 0.564 5.304 4.740 -0.001 0.000 0.331 391 N C -0.135 175.252 175.510 -0.206 0.000 1.384 391 N CA -0.566 52.228 53.050 -0.427 0.000 0.780 391 N CB 1.561 39.802 38.487 -0.411 0.000 1.492 391 N HN 0.651 nan 8.380 nan 0.000 0.608 392 M N 0.151 119.670 119.600 -0.135 0.000 2.260 392 M HA 0.073 4.553 4.480 -0.001 0.000 0.326 392 M C 1.359 177.639 176.300 -0.034 0.000 0.930 392 M CA 0.058 55.324 55.300 -0.058 0.000 1.051 392 M CB 0.651 33.244 32.600 -0.012 0.000 1.748 392 M HN 0.565 nan 8.290 nan 0.000 0.606 393 E N 1.198 121.378 120.200 -0.033 0.000 2.051 393 E HA -0.107 4.243 4.350 -0.001 0.000 0.189 393 E C 1.206 177.789 176.600 -0.028 0.000 0.979 393 E CA 0.866 57.265 56.400 -0.002 0.000 0.803 393 E CB -0.286 29.442 29.700 0.047 0.000 0.761 393 E HN 0.440 nan 8.360 nan 0.000 0.451 394 E N 1.015 121.179 120.200 -0.060 0.000 2.086 394 E HA -0.127 4.223 4.350 -0.001 0.000 0.205 394 E C 0.286 176.855 176.600 -0.052 0.000 1.027 394 E CA 1.334 57.695 56.400 -0.065 0.000 0.830 394 E CB -0.057 29.584 29.700 -0.098 0.000 0.751 394 E HN 0.101 nan 8.360 nan 0.000 0.456 395 S N -0.324 115.343 115.700 -0.054 0.000 2.422 395 S HA 0.267 4.737 4.470 -0.001 0.000 0.298 395 S C 0.929 175.508 174.600 -0.035 0.000 1.118 395 S CA 0.236 58.409 58.200 -0.046 0.000 1.083 395 S CB 1.444 64.612 63.200 -0.054 0.000 0.971 395 S HN 0.412 nan 8.310 nan 0.000 0.478 396 T N 2.132 116.669 114.554 -0.028 0.000 2.721 396 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 396 T C 1.119 175.804 174.700 -0.024 0.000 1.038 396 T CA 1.870 63.957 62.100 -0.021 0.000 1.145 396 T CB -1.388 67.469 68.868 -0.018 0.000 0.858 396 T HN 0.851 nan 8.240 nan 0.000 0.459 397 N N 1.602 120.283 118.700 -0.031 0.000 2.440 397 N HA 0.452 5.191 4.740 -0.001 0.000 0.265 397 N C 0.786 176.274 175.510 -0.037 0.000 1.239 397 N CA 0.008 53.036 53.050 -0.036 0.000 0.909 397 N CB -0.072 38.387 38.487 -0.046 0.000 1.066 397 N HN 0.754 nan 8.380 nan 0.000 0.474 398 G N 0.181 108.962 108.800 -0.031 0.000 2.576 398 G HA2 0.531 4.491 3.960 -0.001 0.000 0.291 398 G HA3 0.531 4.491 3.960 -0.001 0.000 0.291 398 G C 0.488 175.366 174.900 -0.036 0.000 0.782 398 G CA 0.953 46.038 45.100 -0.026 0.000 1.886 398 G HN 1.407 nan 8.290 nan 0.000 0.493 399 S N 1.085 116.759 115.700 -0.043 0.000 2.547 399 S HA 0.599 5.068 4.470 -0.001 0.000 0.270 399 S C -0.817 173.747 174.600 -0.059 0.000 1.150 399 S CA -0.773 57.393 58.200 -0.056 0.000 0.850 399 S CB 1.213 64.367 63.200 -0.077 0.000 1.118 399 S HN 0.661 nan 8.310 nan 0.000 0.461 400 L N 2.507 123.694 121.223 -0.059 0.000 2.281 400 L HA 0.833 5.172 4.340 -0.001 0.000 0.285 400 L C 0.260 177.092 176.870 -0.064 0.000 1.074 400 L CA 0.532 55.335 54.840 -0.062 0.000 0.817 400 L CB 0.531 42.561 42.059 -0.048 0.000 1.168 400 L HN 1.180 nan 8.230 nan 0.000 0.434 401 A N 3.947 126.722 122.820 -0.075 0.000 2.583 401 A HA 1.014 5.333 4.320 -0.001 0.000 0.299 401 A C -1.508 176.027 177.584 -0.081 0.000 1.258 401 A CA -0.170 51.828 52.037 -0.065 0.000 0.682 401 A CB 1.240 20.194 19.000 -0.076 0.000 1.332 401 A HN 1.341 nan 8.150 nan 0.000 0.485 402 A N 0.038 122.808 122.820 -0.083 0.000 2.511 402 A HA 0.598 4.918 4.320 -0.001 0.000 0.292 402 A C -1.165 176.315 177.584 -0.174 0.000 1.045 402 A CA 0.023 51.964 52.037 -0.160 0.000 0.870 402 A CB 0.669 19.613 19.000 -0.093 0.000 1.361 402 A HN 0.809 nan 8.150 nan 0.000 0.396 403 E N 2.282 122.326 120.200 -0.260 0.000 2.158 403 E HA 0.672 5.021 4.350 -0.001 0.000 0.271 403 E C -1.502 174.919 176.600 -0.298 0.000 0.911 403 E CA -0.487 55.818 56.400 -0.159 0.000 0.767 403 E CB 0.884 30.521 29.700 -0.105 0.000 1.120 403 E HN 0.452 nan 8.360 nan 0.000 0.405 404 F N 2.899 122.800 119.950 -0.080 0.000 2.422 404 F HA 0.538 5.064 4.527 -0.001 0.000 0.333 404 F C 0.558 176.239 175.800 -0.198 0.000 1.095 404 F CA -0.519 57.424 58.000 -0.095 0.000 1.038 404 F CB 1.385 40.371 39.000 -0.023 0.000 1.156 404 F HN 0.307 nan 8.300 nan 0.000 0.483 405 R N 0.504 120.880 120.500 -0.207 0.000 2.799 405 R HA 0.453 4.793 4.340 -0.001 0.000 0.270 405 R C -0.905 175.000 176.300 -0.658 0.000 1.010 405 R CA -1.020 54.758 56.100 -0.535 0.000 0.916 405 R CB 1.638 31.468 30.300 -0.784 0.000 1.228 405 R HN 0.784 nan 8.270 nan 0.000 0.469 406 H N -1.321 117.688 119.070 -0.101 0.000 3.257 406 H HA -0.157 4.398 4.556 -0.001 0.000 0.222 406 H C -0.510 174.709 175.328 -0.181 0.000 1.143 406 H CA 0.418 56.407 56.048 -0.099 0.000 1.152 406 H CB -1.705 28.032 29.762 -0.040 0.000 1.188 406 H HN 0.377 nan 8.280 nan 0.000 0.315 407 L N 0.728 121.707 121.223 -0.407 0.000 2.379 407 L HA 0.482 4.822 4.340 -0.001 0.000 0.269 407 L C 0.584 177.099 176.870 -0.592 0.000 1.084 407 L CA -0.018 54.499 54.840 -0.540 0.000 0.802 407 L CB 1.612 42.981 42.059 -1.150 0.000 1.175 407 L HN 0.249 nan 8.230 nan 0.000 0.448 408 Q N 2.254 121.936 119.800 -0.197 0.000 2.352 408 Q HA 0.389 4.728 4.340 -0.001 0.000 0.270 408 Q C -2.061 173.983 176.000 0.073 0.000 1.006 408 Q CA -0.797 55.018 55.803 0.019 0.000 0.880 408 Q CB 2.032 30.774 28.738 0.007 0.000 1.392 408 Q HN 0.326 nan 8.270 nan 0.000 0.401 409 L N 2.960 124.231 121.223 0.080 0.000 2.325 409 L HA 0.641 4.980 4.340 -0.001 0.000 0.278 409 L C -0.508 176.372 176.870 0.017 0.000 1.023 409 L CA -0.065 54.731 54.840 -0.074 0.000 0.811 409 L CB 1.559 43.425 42.059 -0.322 0.000 1.249 409 L HN 0.591 nan 8.230 nan 0.000 0.431 410 K N 1.494 121.930 120.400 0.060 0.000 2.498 410 K HA 0.391 4.711 4.320 -0.001 0.000 0.254 410 K C -0.803 175.856 176.600 0.097 0.000 0.933 410 K CA -0.661 55.683 56.287 0.094 0.000 0.806 410 K CB 1.831 34.352 32.500 0.035 0.000 1.301 410 K HN 0.584 nan 8.250 nan 0.000 0.432 411 E N 1.662 121.864 120.200 0.002 0.000 2.404 411 E HA -0.065 4.284 4.350 -0.001 0.000 0.261 411 E C -0.492 175.974 176.600 -0.223 0.000 1.074 411 E CA 0.239 56.448 56.400 -0.318 0.000 0.917 411 E CB 1.095 30.604 29.700 -0.318 0.000 0.965 411 E HN 0.415 nan 8.360 nan 0.000 0.433 412 Q N 2.979 122.604 119.800 -0.291 0.000 3.035 412 Q HA 0.031 4.371 4.340 -0.001 0.000 0.354 412 Q C -0.845 175.069 176.000 -0.144 0.000 1.247 412 Q CA -0.499 55.209 55.803 -0.158 0.000 1.068 412 Q CB 0.047 28.711 28.738 -0.124 0.000 1.424 412 Q HN 0.123 nan 8.270 nan 0.000 0.486 413 K N 2.389 122.711 120.400 -0.130 0.000 2.441 413 K HA -0.024 4.295 4.320 -0.001 0.000 0.273 413 K C -0.419 176.143 176.600 -0.064 0.000 1.090 413 K CA 0.710 56.938 56.287 -0.097 0.000 1.158 413 K CB -0.053 32.406 32.500 -0.068 0.000 0.847 413 K HN 0.520 nan 8.250 nan 0.000 0.483 414 N N -0.104 118.562 118.700 -0.057 0.000 3.277 414 N HA 0.256 4.996 4.740 -0.001 0.000 0.278 414 N C 0.022 175.519 175.510 -0.022 0.000 1.544 414 N CA -0.325 52.704 53.050 -0.034 0.000 0.869 414 N CB 1.143 39.613 38.487 -0.029 0.000 1.584 414 N HN 0.323 nan 8.380 nan 0.000 0.564 415 A N -0.284 122.529 122.820 -0.012 0.000 2.063 415 A HA 0.282 4.601 4.320 -0.001 0.000 0.211 415 A C 1.710 179.295 177.584 0.001 0.000 1.177 415 A CA 1.476 53.511 52.037 -0.005 0.000 0.759 415 A CB -0.715 18.284 19.000 -0.002 0.000 0.857 415 A HN 0.666 nan 8.150 nan 0.000 0.468 416 G N -0.078 108.724 108.800 0.002 0.000 2.491 416 G HA2 0.085 4.045 3.960 -0.001 0.000 0.218 416 G HA3 0.085 4.045 3.960 -0.001 0.000 0.218 416 G C 1.031 175.942 174.900 0.018 0.000 1.180 416 G CA 1.705 46.811 45.100 0.010 0.000 0.774 416 G HN 0.874 nan 8.290 nan 0.000 0.562 417 T N 0.037 114.600 114.554 0.014 0.000 3.377 417 T HA 0.686 5.036 4.350 -0.001 0.000 0.270 417 T C 0.562 175.270 174.700 0.012 0.000 1.586 417 T CA 0.584 62.700 62.100 0.027 0.000 1.487 417 T CB -0.304 68.589 68.868 0.042 0.000 0.994 417 T HN 0.646 nan 8.240 nan 0.000 0.689 418 R N 0.716 121.222 120.500 0.011 0.000 2.697 418 R HA 0.632 4.971 4.340 -0.001 0.000 0.265 418 R C 0.846 177.153 176.300 0.011 0.000 1.009 418 R CA 0.531 56.634 56.100 0.005 0.000 1.099 418 R CB -1.488 28.817 30.300 0.008 0.000 0.965 418 R HN 1.120 nan 8.270 nan 0.000 0.428 419 T N -0.706 113.849 114.554 0.003 0.000 2.795 419 T HA 0.413 4.763 4.350 -0.001 0.000 0.314 419 T C 1.378 176.091 174.700 0.021 0.000 1.069 419 T CA 0.811 62.916 62.100 0.010 0.000 1.071 419 T CB 0.032 68.901 68.868 0.002 0.000 0.988 419 T HN 1.285 nan 8.240 nan 0.000 0.543 420 N N -0.305 118.413 118.700 0.030 0.000 2.104 420 N HA 0.244 4.984 4.740 -0.001 0.000 0.227 420 N C 0.680 176.209 175.510 0.031 0.000 1.321 420 N CA 1.102 54.171 53.050 0.032 0.000 0.877 420 N CB -0.148 38.364 38.487 0.043 0.000 1.117 420 N HN 1.110 nan 8.380 nan 0.000 0.486 421 E N -2.141 118.079 120.200 0.033 0.000 2.365 421 E HA -0.217 4.133 4.350 -0.001 0.000 0.237 421 E C 0.762 177.383 176.600 0.034 0.000 1.238 421 E CA 1.029 57.449 56.400 0.032 0.000 0.718 421 E CB -2.185 27.529 29.700 0.023 0.000 1.218 421 E HN 1.119 nan 8.360 nan 0.000 0.387 422 G N -0.624 108.202 108.800 0.042 0.000 4.474 422 G HA2 0.067 4.027 3.960 -0.001 0.000 0.202 422 G HA3 0.067 4.027 3.960 -0.001 0.000 0.202 422 G C -1.774 173.153 174.900 0.044 0.000 0.708 422 G CA 0.112 45.234 45.100 0.035 0.000 0.806 422 G HN 0.352 nan 8.290 nan 0.000 0.508 423 P HA 0.269 nan 4.420 nan 0.000 0.275 423 P C 1.581 178.924 177.300 0.072 0.000 1.270 423 P CA -0.497 62.642 63.100 0.066 0.000 0.791 423 P CB 0.723 32.475 31.700 0.086 0.000 1.089 424 L N -1.257 120.011 121.223 0.075 0.000 2.171 424 L HA -0.151 4.189 4.340 -0.001 0.000 0.216 424 L C 1.343 178.270 176.870 0.095 0.000 1.084 424 L CA 1.687 56.573 54.840 0.076 0.000 0.771 424 L CB -1.064 41.037 42.059 0.069 0.000 0.890 424 L HN 0.418 nan 8.230 nan 0.000 0.437 425 I N -6.351 114.287 120.570 0.113 0.000 2.918 425 I HA 0.391 4.561 4.170 -0.001 0.000 0.301 425 I C -0.055 176.126 176.117 0.107 0.000 1.312 425 I CA -1.161 60.213 61.300 0.124 0.000 1.007 425 I CB 1.849 39.945 38.000 0.161 0.000 1.281 425 I HN -0.429 nan 8.210 nan 0.000 0.440 426 V N 2.378 122.346 119.914 0.090 0.000 3.332 426 V HA -0.059 4.060 4.120 -0.001 0.000 0.305 426 V C 1.918 178.052 176.094 0.067 0.000 1.114 426 V CA 0.928 63.268 62.300 0.066 0.000 1.194 426 V CB 1.044 32.897 31.823 0.050 0.000 1.027 426 V HN 1.056 nan 8.190 nan 0.000 0.492 427 T N -0.654 113.937 114.554 0.061 0.000 3.202 427 T HA -0.070 4.280 4.350 -0.001 0.000 0.267 427 T C 0.428 175.160 174.700 0.054 0.000 1.183 427 T CA 0.598 62.740 62.100 0.071 0.000 1.055 427 T CB -0.493 68.422 68.868 0.077 0.000 0.898 427 T HN 0.603 nan 8.240 nan 0.000 0.555 428 E N 2.589 122.800 120.200 0.017 0.000 2.127 428 E HA 0.254 4.604 4.350 -0.001 0.000 0.262 428 E C 0.087 176.665 176.600 -0.036 0.000 1.144 428 E CA -0.290 56.079 56.400 -0.050 0.000 1.144 428 E CB 0.119 29.731 29.700 -0.145 0.000 1.297 428 E HN 0.797 nan 8.360 nan 0.000 0.469 429 E N 1.056 121.282 120.200 0.044 0.000 2.235 429 E HA 0.581 4.931 4.350 -0.001 0.000 0.265 429 E C -0.530 176.060 176.600 -0.017 0.000 0.940 429 E CA -0.963 55.500 56.400 0.105 0.000 0.819 429 E CB 1.652 31.428 29.700 0.126 0.000 1.206 429 E HN 0.078 nan 8.360 nan 0.000 0.409 430 L N 1.932 123.137 121.223 -0.031 0.000 2.317 430 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 430 L C 0.158 176.837 176.870 -0.317 0.000 1.024 430 L CA -0.866 53.882 54.840 -0.153 0.000 0.810 430 L CB 1.020 42.988 42.059 -0.152 0.000 1.240 430 L HN 0.503 nan 8.230 nan 0.000 0.427 431 H N 0.660 119.672 119.070 -0.096 0.000 2.771 431 H HA 0.682 5.237 4.556 -0.001 0.000 0.344 431 H C -0.611 174.527 175.328 -0.316 0.000 1.260 431 H CA -0.666 55.249 56.048 -0.222 0.000 1.276 431 H CB 2.305 31.857 29.762 -0.351 0.000 1.881 431 H HN 0.619 nan 8.280 nan 0.000 0.615 432 S N 0.439 115.937 115.700 -0.336 0.000 2.564 432 S HA 0.563 5.033 4.470 -0.001 0.000 0.274 432 S C -1.254 173.099 174.600 -0.412 0.000 1.124 432 S CA -0.955 57.068 58.200 -0.294 0.000 0.869 432 S CB 1.398 64.476 63.200 -0.204 0.000 1.105 432 S HN 0.396 nan 8.310 nan 0.000 0.472 433 L N 2.538 123.611 121.223 -0.251 0.000 2.294 433 L HA 0.549 4.888 4.340 -0.001 0.000 0.283 433 L C -0.285 176.284 176.870 -0.502 0.000 1.015 433 L CA -0.325 54.335 54.840 -0.299 0.000 0.831 433 L CB 1.872 43.847 42.059 -0.141 0.000 1.217 433 L HN 0.747 nan 8.230 nan 0.000 0.420 434 S N 2.576 117.943 115.700 -0.556 0.000 2.565 434 S HA 0.708 5.178 4.470 -0.001 0.000 0.290 434 S C -0.779 173.348 174.600 -0.789 0.000 1.150 434 S CA -0.456 57.467 58.200 -0.461 0.000 1.058 434 S CB 1.203 64.282 63.200 -0.200 0.000 1.032 434 S HN 0.211 nan 8.310 nan 0.000 0.510 435 F N 1.229 121.180 119.950 0.002 0.000 2.493 435 F HA 0.502 5.028 4.527 -0.001 0.000 0.329 435 F C 0.319 176.263 175.800 0.240 0.000 1.126 435 F CA -0.627 57.413 58.000 0.065 0.000 0.937 435 F CB 1.508 40.484 39.000 -0.041 0.000 1.146 435 F HN 0.523 nan 8.300 nan 0.000 0.442 436 E N 1.629 122.033 120.200 0.340 0.000 2.248 436 E HA 0.647 4.997 4.350 -0.001 0.000 0.267 436 E C -1.194 175.539 176.600 0.222 0.000 0.877 436 E CA -0.410 56.152 56.400 0.271 0.000 0.759 436 E CB 2.236 32.021 29.700 0.142 0.000 1.182 436 E HN 0.678 nan 8.360 nan 0.000 0.418 437 T N 2.134 116.747 114.554 0.098 0.000 2.762 437 T HA 0.345 4.695 4.350 -0.001 0.000 0.301 437 T C -1.977 172.693 174.700 -0.049 0.000 1.299 437 T CA -0.576 61.523 62.100 -0.002 0.000 1.005 437 T CB 1.738 70.535 68.868 -0.119 0.000 1.377 437 T HN 0.482 nan 8.240 nan 0.000 0.504 438 Q N 2.312 122.089 119.800 -0.039 0.000 2.263 438 Q HA 0.526 4.865 4.340 -0.001 0.000 0.262 438 Q C -1.839 174.155 176.000 -0.010 0.000 0.984 438 Q CA -0.837 54.954 55.803 -0.019 0.000 0.813 438 Q CB 1.613 30.365 28.738 0.024 0.000 1.299 438 Q HN 0.590 nan 8.270 nan 0.000 0.428 439 L N 5.022 126.239 121.223 -0.010 0.000 2.433 439 L HA 0.361 4.700 4.340 -0.001 0.000 0.284 439 L C -1.223 175.687 176.870 0.067 0.000 1.120 439 L CA 0.059 54.913 54.840 0.024 0.000 0.879 439 L CB 0.545 42.623 42.059 0.032 0.000 1.232 439 L HN 0.789 nan 8.230 nan 0.000 0.454 440 C N 6.390 125.727 119.300 0.062 0.000 2.264 440 C HA 0.704 5.163 4.460 -0.001 0.000 0.324 440 C C -0.119 174.917 174.990 0.076 0.000 1.267 440 C CA -0.262 58.800 59.018 0.072 0.000 1.618 440 C CB -0.039 27.737 27.740 0.059 0.000 2.278 440 C HN 0.930 nan 8.230 nan 0.000 0.499 441 Q N 5.212 125.067 119.800 0.091 0.000 2.511 441 Q HA 0.499 4.838 4.340 -0.001 0.000 0.289 441 Q C -2.603 173.448 176.000 0.086 0.000 1.021 441 Q CA -1.561 54.293 55.803 0.085 0.000 0.785 441 Q CB 2.888 31.683 28.738 0.096 0.000 1.472 441 Q HN 0.564 nan 8.270 nan 0.000 0.411 442 P HA -0.003 nan 4.420 nan 0.000 0.269 442 P C 0.342 177.694 177.300 0.088 0.000 1.252 442 P CA 1.086 64.225 63.100 0.064 0.000 0.780 442 P CB 0.402 32.131 31.700 0.048 0.000 0.829 443 G N 2.637 111.491 108.800 0.090 0.000 2.199 443 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.254 443 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.254 443 G C -0.222 174.801 174.900 0.205 0.000 0.982 443 G CA -0.191 44.989 45.100 0.134 0.000 0.632 443 G HN 0.519 nan 8.290 nan 0.000 0.529 444 L N 0.059 121.390 121.223 0.181 0.000 2.388 444 L HA 0.794 5.133 4.340 -0.001 0.000 0.264 444 L C -0.696 176.302 176.870 0.214 0.000 0.998 444 L CA -1.256 53.735 54.840 0.251 0.000 0.817 444 L CB 2.672 44.880 42.059 0.248 0.000 1.338 444 L HN 0.038 nan 8.230 nan 0.000 0.414 445 V N 4.084 124.166 119.914 0.279 0.000 2.775 445 V HA 0.487 4.607 4.120 -0.001 0.000 0.295 445 V C -0.826 175.423 176.094 0.258 0.000 1.226 445 V CA -0.411 62.012 62.300 0.205 0.000 0.934 445 V CB 2.096 34.006 31.823 0.144 0.000 1.056 445 V HN 0.534 nan 8.190 nan 0.000 0.436 446 I N 2.803 123.471 120.570 0.164 0.000 2.722 446 I HA 0.531 4.700 4.170 -0.001 0.000 0.295 446 I C -1.420 174.724 176.117 0.045 0.000 1.161 446 I CA -0.573 60.794 61.300 0.112 0.000 1.032 446 I CB 2.860 40.881 38.000 0.035 0.000 1.244 446 I HN 0.500 nan 8.210 nan 0.000 0.421 447 D N 6.613 127.035 120.400 0.036 0.000 2.256 447 D HA 0.547 5.186 4.640 -0.001 0.000 0.240 447 D C -0.699 175.595 176.300 -0.010 0.000 1.062 447 D CA -0.246 53.763 54.000 0.016 0.000 0.832 447 D CB 2.490 43.317 40.800 0.045 0.000 1.135 447 D HN 0.240 nan 8.370 nan 0.000 0.484 448 L N 1.585 122.768 121.223 -0.067 0.000 2.309 448 L HA 0.506 4.846 4.340 -0.001 0.000 0.282 448 L C 0.283 177.228 176.870 0.125 0.000 1.036 448 L CA -0.519 54.275 54.840 -0.078 0.000 0.806 448 L CB 1.654 43.448 42.059 -0.443 0.000 1.220 448 L HN 0.321 nan 8.230 nan 0.000 0.429 449 E N 1.464 121.859 120.200 0.325 0.000 2.366 449 E HA 0.597 4.947 4.350 -0.001 0.000 0.278 449 E C -1.633 175.171 176.600 0.339 0.000 0.923 449 E CA -0.461 56.166 56.400 0.378 0.000 0.761 449 E CB 2.725 32.536 29.700 0.186 0.000 1.231 449 E HN 0.533 nan 8.360 nan 0.000 0.443 450 T N 1.169 115.856 114.554 0.222 0.000 2.885 450 T HA 0.502 4.852 4.350 -0.001 0.000 0.322 450 T C -1.483 173.275 174.700 0.097 0.000 1.387 450 T CA -0.092 62.044 62.100 0.062 0.000 1.041 450 T CB 1.624 70.387 68.868 -0.174 0.000 1.287 450 T HN 0.606 nan 8.240 nan 0.000 0.491 451 T N 0.111 114.708 114.554 0.072 0.000 2.906 451 T HA 0.776 5.126 4.350 -0.001 0.000 0.295 451 T C 0.357 175.118 174.700 0.102 0.000 1.075 451 T CA -0.226 61.923 62.100 0.083 0.000 1.005 451 T CB 1.407 70.264 68.868 -0.018 0.000 1.136 451 T HN 1.009 nan 8.240 nan 0.000 0.498 452 S N 1.620 117.405 115.700 0.143 0.000 2.617 452 S HA 0.535 5.004 4.470 -0.001 0.000 0.259 452 S C 0.439 175.047 174.600 0.012 0.000 1.301 452 S CA -0.968 57.295 58.200 0.105 0.000 0.984 452 S CB -0.245 63.040 63.200 0.141 0.000 0.954 452 S HN 0.737 nan 8.310 nan 0.000 0.572 453 L N 1.894 123.114 121.223 -0.005 0.000 2.476 453 L HA 0.325 4.664 4.340 -0.001 0.000 0.264 453 L C -1.766 175.030 176.870 -0.124 0.000 1.224 453 L CA -1.983 52.828 54.840 -0.047 0.000 0.821 453 L CB -0.170 41.874 42.059 -0.026 0.000 1.101 453 L HN 0.539 nan 8.230 nan 0.000 0.488 454 P HA -0.020 nan 4.420 nan 0.000 0.265 454 P C -0.681 176.481 177.300 -0.230 0.000 1.187 454 P CA 0.115 63.028 63.100 -0.310 0.000 0.766 454 P CB 0.816 32.152 31.700 -0.606 0.000 0.820 455 V N 3.655 123.478 119.914 -0.151 0.000 2.975 455 V HA 0.353 4.473 4.120 -0.001 0.000 0.318 455 V C 0.338 176.406 176.094 -0.044 0.000 1.077 455 V CA -0.749 61.496 62.300 -0.090 0.000 1.000 455 V CB 2.320 34.094 31.823 -0.081 0.000 1.066 455 V HN 0.273 nan 8.190 nan 0.000 0.452 456 V N 2.998 122.894 119.914 -0.030 0.000 2.407 456 V HA 0.389 4.509 4.120 -0.001 0.000 0.291 456 V C -0.441 175.627 176.094 -0.043 0.000 1.018 456 V CA -0.522 61.778 62.300 0.000 0.000 0.842 456 V CB 1.921 33.749 31.823 0.009 0.000 0.996 456 V HN 0.575 nan 8.190 nan 0.000 0.426 457 V N 7.097 126.972 119.914 -0.066 0.000 2.383 457 V HA 0.527 4.647 4.120 -0.001 0.000 0.275 457 V C 0.091 176.108 176.094 -0.129 0.000 1.036 457 V CA -0.263 61.888 62.300 -0.249 0.000 0.889 457 V CB 1.185 32.549 31.823 -0.765 0.000 0.985 457 V HN 0.784 nan 8.190 nan 0.000 0.459 458 I N 2.194 122.709 120.570 -0.092 0.000 2.957 458 I HA 0.695 4.865 4.170 -0.001 0.000 0.310 458 I C 0.786 176.905 176.117 0.004 0.000 1.063 458 I CA -0.520 60.769 61.300 -0.017 0.000 1.033 458 I CB 2.391 40.385 38.000 -0.010 0.000 1.230 458 I HN 0.509 nan 8.210 nan 0.000 0.447 459 S N 0.665 116.385 115.700 0.035 0.000 2.520 459 S HA 0.236 4.705 4.470 -0.001 0.000 0.219 459 S C 0.384 175.003 174.600 0.030 0.000 1.028 459 S CA -0.223 58.003 58.200 0.044 0.000 0.921 459 S CB -0.128 63.108 63.200 0.061 0.000 0.844 459 S HN 0.778 nan 8.310 nan 0.000 0.495 460 N N 0.680 119.393 118.700 0.022 0.000 2.260 460 N HA 0.289 5.029 4.740 -0.001 0.000 0.293 460 N C 0.474 175.989 175.510 0.008 0.000 1.058 460 N CA -0.276 52.784 53.050 0.017 0.000 0.824 460 N CB 2.407 40.904 38.487 0.016 0.000 1.551 460 N HN -0.046 nan 8.380 nan 0.000 0.475 461 V N 1.940 121.861 119.914 0.011 0.000 3.140 461 V HA -0.191 3.929 4.120 -0.001 0.000 0.269 461 V C 2.141 178.228 176.094 -0.012 0.000 1.149 461 V CA 1.984 64.282 62.300 -0.002 0.000 1.162 461 V CB -1.086 30.759 31.823 0.036 0.000 0.756 461 V HN 0.778 nan 8.190 nan 0.000 0.523 462 S N -0.033 115.665 115.700 -0.004 0.000 2.489 462 S HA -0.122 4.348 4.470 -0.001 0.000 0.228 462 S C 1.581 176.182 174.600 0.002 0.000 0.995 462 S CA 0.525 58.720 58.200 -0.007 0.000 0.934 462 S CB -0.258 62.939 63.200 -0.006 0.000 0.771 462 S HN 0.730 nan 8.310 nan 0.000 0.522 463 Q N 0.296 120.101 119.800 0.008 0.000 2.320 463 Q HA 0.372 4.712 4.340 -0.001 0.000 0.201 463 Q C 1.627 177.647 176.000 0.034 0.000 0.910 463 Q CA -0.064 55.754 55.803 0.024 0.000 0.946 463 Q CB 0.010 28.762 28.738 0.024 0.000 1.062 463 Q HN 0.598 nan 8.270 nan 0.000 0.503 464 L N 1.697 122.927 121.223 0.012 0.000 2.102 464 L HA 0.034 4.373 4.340 -0.001 0.000 0.202 464 L C -0.762 176.183 176.870 0.126 0.000 1.076 464 L CA 0.716 55.562 54.840 0.010 0.000 0.761 464 L CB -0.628 41.355 42.059 -0.126 0.000 0.921 464 L HN 0.053 nan 8.230 nan 0.000 0.444 465 P HA -0.198 nan 4.420 nan 0.000 0.216 465 P C 1.687 179.265 177.300 0.464 0.000 1.150 465 P CA 1.744 65.015 63.100 0.284 0.000 0.837 465 P CB 0.049 31.806 31.700 0.095 0.000 0.786 466 S N -0.435 115.429 115.700 0.273 0.000 2.387 466 S HA -0.014 4.456 4.470 -0.001 0.000 0.226 466 S C 2.255 176.981 174.600 0.210 0.000 1.026 466 S CA 1.413 59.759 58.200 0.244 0.000 0.972 466 S CB -1.295 61.980 63.200 0.125 0.000 0.814 466 S HN 0.231 nan 8.310 nan 0.000 0.477 467 G N 0.451 109.359 108.800 0.181 0.000 2.418 467 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 467 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 467 G C 1.366 176.397 174.900 0.220 0.000 1.158 467 G CA 0.643 45.830 45.100 0.145 0.000 0.771 467 G HN 0.663 nan 8.290 nan 0.000 0.545 468 W N 1.629 122.986 121.300 0.095 0.000 2.355 468 W HA -0.123 4.536 4.660 -0.001 0.000 0.309 468 W C 2.633 179.193 176.519 0.069 0.000 1.206 468 W CA 1.506 58.912 57.345 0.101 0.000 1.284 468 W CB -0.166 29.397 29.460 0.172 0.000 1.145 468 W HN 0.335 nan 8.180 nan 0.000 0.502 469 A N 0.686 123.527 122.820 0.034 0.000 1.927 469 A HA -0.296 4.024 4.320 -0.001 0.000 0.220 469 A C 2.022 179.687 177.584 0.134 0.000 1.185 469 A CA 2.678 54.602 52.037 -0.190 0.000 0.639 469 A CB -1.280 17.638 19.000 -0.137 0.000 0.820 469 A HN 0.349 nan 8.150 nan 0.000 0.451 470 S N -0.509 115.283 115.700 0.154 0.000 2.368 470 S HA -0.070 4.400 4.470 -0.001 0.000 0.225 470 S C 1.746 176.465 174.600 0.197 0.000 1.030 470 S CA 1.442 59.708 58.200 0.110 0.000 0.999 470 S CB -0.432 62.643 63.200 -0.207 0.000 0.844 470 S HN 0.558 nan 8.310 nan 0.000 0.459 471 I N 1.134 121.675 120.570 -0.048 0.000 2.546 471 I HA -0.096 4.074 4.170 -0.001 0.000 0.255 471 I C 1.856 177.790 176.117 -0.304 0.000 1.163 471 I CA 0.729 61.932 61.300 -0.162 0.000 1.457 471 I CB -0.286 37.570 38.000 -0.240 0.000 1.092 471 I HN 0.239 nan 8.210 nan 0.000 0.434 472 L N -0.439 120.506 121.223 -0.464 0.000 2.027 472 L HA -0.212 4.128 4.340 -0.001 0.000 0.206 472 L C 2.535 179.323 176.870 -0.137 0.000 1.074 472 L CA 1.482 56.085 54.840 -0.395 0.000 0.745 472 L CB -0.664 41.147 42.059 -0.414 0.000 0.898 472 L HN 0.497 nan 8.230 nan 0.000 0.433 473 W N -0.103 121.093 121.300 -0.174 0.000 2.363 473 W HA -0.280 4.379 4.660 -0.001 0.000 0.296 473 W C 2.611 178.996 176.519 -0.224 0.000 1.212 473 W CA 1.583 58.866 57.345 -0.104 0.000 1.260 473 W CB -0.232 29.249 29.460 0.034 0.000 1.131 473 W HN 0.173 nan 8.180 nan 0.000 0.530 474 Y N 1.848 122.027 120.300 -0.202 0.000 2.084 474 Y HA -0.246 4.304 4.550 -0.001 0.000 0.279 474 Y C 2.402 177.967 175.900 -0.559 0.000 1.119 474 Y CA 2.509 60.180 58.100 -0.715 0.000 1.101 474 Y CB -1.096 37.044 38.460 -0.534 0.000 0.989 474 Y HN -0.185 nan 8.280 nan 0.000 0.484 475 N N 0.065 118.604 118.700 -0.268 0.000 2.364 475 N HA -0.212 4.528 4.740 -0.001 0.000 0.183 475 N C 1.915 177.245 175.510 -0.301 0.000 1.022 475 N CA 1.491 54.387 53.050 -0.256 0.000 0.883 475 N CB -0.310 38.124 38.487 -0.088 0.000 0.965 475 N HN 0.506 nan 8.380 nan 0.000 0.438 476 M N 0.315 119.713 119.600 -0.337 0.000 2.254 476 M HA -0.002 4.478 4.480 -0.001 0.000 0.265 476 M C 0.789 176.844 176.300 -0.409 0.000 1.066 476 M CA 1.216 56.303 55.300 -0.355 0.000 1.123 476 M CB 0.311 32.651 32.600 -0.434 0.000 1.388 476 M HN 0.014 nan 8.290 nan 0.000 0.425 477 L N -0.043 120.887 121.223 -0.489 0.000 3.122 477 L HA 0.332 4.672 4.340 -0.001 0.000 0.274 477 L C -0.811 175.810 176.870 -0.416 0.000 1.222 477 L CA -0.599 53.996 54.840 -0.407 0.000 1.028 477 L CB 0.869 42.726 42.059 -0.337 0.000 1.386 477 L HN -0.057 nan 8.230 nan 0.000 0.578 478 V N -0.879 118.691 119.914 -0.574 0.000 3.130 478 V HA 0.690 4.810 4.120 -0.001 0.000 0.310 478 V C 0.234 176.103 176.094 -0.376 0.000 1.158 478 V CA -0.123 61.830 62.300 -0.577 0.000 1.029 478 V CB 2.026 33.147 31.823 -1.169 0.000 1.057 478 V HN 0.006 nan 8.190 nan 0.000 0.436 479 A N 1.372 124.046 122.820 -0.243 0.000 2.644 479 A HA 0.470 4.790 4.320 -0.001 0.000 0.193 479 A C 0.304 177.841 177.584 -0.080 0.000 1.464 479 A CA -0.041 51.912 52.037 -0.140 0.000 1.095 479 A CB 0.351 19.285 19.000 -0.110 0.000 1.405 479 A HN 0.765 nan 8.150 nan 0.000 0.558 480 E N 0.816 120.970 120.200 -0.077 0.000 2.334 480 E HA 0.414 4.764 4.350 -0.001 0.000 0.256 480 E C -2.703 173.886 176.600 -0.019 0.000 0.958 480 E CA -2.556 53.818 56.400 -0.044 0.000 0.821 480 E CB 0.978 30.651 29.700 -0.045 0.000 1.269 480 E HN 0.099 nan 8.360 nan 0.000 0.413 481 P HA -0.035 nan 4.420 nan 0.000 0.265 481 P C -0.949 176.362 177.300 0.017 0.000 1.193 481 P CA 0.200 63.304 63.100 0.008 0.000 0.765 481 P CB 0.408 32.111 31.700 0.005 0.000 0.823 482 R N 2.202 122.724 120.500 0.038 0.000 2.368 482 R HA 0.268 4.608 4.340 -0.001 0.000 0.302 482 R C 0.030 176.373 176.300 0.071 0.000 1.002 482 R CA -0.664 55.489 56.100 0.088 0.000 0.929 482 R CB -0.285 30.143 30.300 0.214 0.000 1.073 482 R HN 0.483 nan 8.270 nan 0.000 0.464 483 N N 3.907 122.677 118.700 0.117 0.000 2.400 483 N HA 0.012 4.752 4.740 -0.001 0.000 0.267 483 N C 0.309 175.880 175.510 0.102 0.000 1.208 483 N CA -0.261 52.850 53.050 0.102 0.000 0.951 483 N CB 0.442 39.011 38.487 0.136 0.000 1.227 483 N HN 0.547 nan 8.380 nan 0.000 0.488 484 L N 2.216 123.443 121.223 0.007 0.000 2.650 484 L HA 0.015 4.355 4.340 -0.001 0.000 0.235 484 L C 0.903 177.784 176.870 0.019 0.000 1.149 484 L CA 0.284 55.107 54.840 -0.029 0.000 0.887 484 L CB 0.006 42.021 42.059 -0.073 0.000 1.021 484 L HN 0.506 nan 8.230 nan 0.000 0.441 485 S N -1.099 114.626 115.700 0.041 0.000 2.593 485 S HA 0.085 4.555 4.470 -0.001 0.000 0.236 485 S C 1.223 175.856 174.600 0.054 0.000 0.991 485 S CA -0.573 57.647 58.200 0.033 0.000 0.963 485 S CB 0.035 63.221 63.200 -0.023 0.000 0.865 485 S HN 0.309 nan 8.310 nan 0.000 0.488 486 F N 2.551 122.436 119.950 -0.108 0.000 2.063 486 F HA -0.260 4.267 4.527 -0.001 0.000 0.297 486 F C 1.182 176.744 175.800 -0.398 0.000 1.099 486 F CA 1.793 59.633 58.000 -0.266 0.000 1.220 486 F CB -0.415 38.382 39.000 -0.339 0.000 0.972 486 F HN 0.289 nan 8.300 nan 0.000 0.487 487 F N 0.147 120.135 119.950 0.063 0.000 2.771 487 F HA -0.024 4.503 4.527 -0.001 0.000 0.299 487 F C 1.869 177.616 175.800 -0.088 0.000 1.177 487 F CA 0.378 58.306 58.000 -0.120 0.000 1.450 487 F CB -0.825 38.152 39.000 -0.038 0.000 1.114 487 F HN 0.011 nan 8.300 nan 0.000 0.587 488 L N -1.016 120.219 121.223 0.019 0.000 2.376 488 L HA -0.032 4.308 4.340 -0.001 0.000 0.219 488 L C 0.323 177.170 176.870 -0.038 0.000 1.133 488 L CA 1.049 55.900 54.840 0.019 0.000 0.816 488 L CB -0.245 41.814 42.059 0.000 0.000 0.933 488 L HN -0.029 nan 8.230 nan 0.000 0.449 489 T N 0.207 114.671 114.554 -0.149 0.000 3.523 489 T HA 0.152 4.501 4.350 -0.001 0.000 0.265 489 T C -2.578 171.908 174.700 -0.357 0.000 0.986 489 T CA -0.711 61.284 62.100 -0.175 0.000 1.616 489 T CB 0.996 69.775 68.868 -0.149 0.000 0.803 489 T HN -0.086 nan 8.240 nan 0.000 0.603 490 P HA 0.180 nan 4.420 nan 0.000 0.264 490 P C -2.440 174.768 177.300 -0.154 0.000 1.236 490 P CA -0.861 61.952 63.100 -0.478 0.000 0.811 490 P CB -0.078 31.435 31.700 -0.312 0.000 0.840 491 P HA 0.011 nan 4.420 nan 0.000 0.269 491 P C 0.280 177.679 177.300 0.165 0.000 1.209 491 P CA -0.145 62.913 63.100 -0.070 0.000 0.776 491 P CB 0.711 32.314 31.700 -0.162 0.000 0.876 492 C N 1.602 120.988 119.300 0.143 0.000 2.705 492 C HA 0.517 4.977 4.460 -0.001 0.000 0.348 492 C C 1.085 176.108 174.990 0.054 0.000 1.386 492 C CA 0.015 59.178 59.018 0.242 0.000 2.361 492 C CB -0.129 27.696 27.740 0.143 0.000 2.486 492 C HN 0.692 nan 8.230 nan 0.000 0.728 493 A N 0.787 123.611 122.820 0.007 0.000 2.356 493 A HA 0.671 4.991 4.320 -0.001 0.000 0.310 493 A C -0.286 177.235 177.584 -0.104 0.000 1.075 493 A CA -0.541 51.319 52.037 -0.295 0.000 0.746 493 A CB 0.592 19.109 19.000 -0.806 0.000 1.221 493 A HN 0.883 nan 8.150 nan 0.000 0.443 494 R N 1.530 121.956 120.500 -0.123 0.000 2.543 494 R HA 0.100 4.440 4.340 -0.001 0.000 0.277 494 R C 0.293 176.607 176.300 0.023 0.000 1.074 494 R CA -0.252 55.829 56.100 -0.032 0.000 1.076 494 R CB 0.322 30.581 30.300 -0.068 0.000 0.993 494 R HN 0.876 nan 8.270 nan 0.000 0.459 495 W N 3.801 125.046 121.300 -0.092 0.000 2.467 495 W HA 0.025 4.685 4.660 -0.001 0.000 0.275 495 W C 1.560 178.024 176.519 -0.092 0.000 1.239 495 W CA 1.174 58.470 57.345 -0.081 0.000 1.266 495 W CB -0.141 29.292 29.460 -0.045 0.000 1.112 495 W HN 0.817 nan 8.180 nan 0.000 0.576 496 A N -0.256 122.458 122.820 -0.177 0.000 2.024 496 A HA -0.272 4.047 4.320 -0.001 0.000 0.220 496 A C 1.974 179.323 177.584 -0.392 0.000 1.164 496 A CA 2.046 53.885 52.037 -0.330 0.000 0.643 496 A CB -0.759 18.137 19.000 -0.172 0.000 0.806 496 A HN 0.549 nan 8.150 nan 0.000 0.451 497 Q N -0.912 118.696 119.800 -0.320 0.000 2.165 497 Q HA 0.071 4.410 4.340 -0.001 0.000 0.197 497 Q C 2.040 177.792 176.000 -0.414 0.000 0.952 497 Q CA 0.764 56.352 55.803 -0.357 0.000 0.848 497 Q CB -0.133 28.424 28.738 -0.301 0.000 0.931 497 Q HN 0.649 nan 8.270 nan 0.000 0.470 498 L N 0.874 121.900 121.223 -0.328 0.000 2.027 498 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 498 L C 2.550 179.288 176.870 -0.219 0.000 1.074 498 L CA 1.660 56.367 54.840 -0.221 0.000 0.745 498 L CB -0.445 41.628 42.059 0.023 0.000 0.898 498 L HN 0.395 nan 8.230 nan 0.000 0.433 499 S N -0.791 114.601 115.700 -0.514 0.000 2.380 499 S HA -0.343 4.126 4.470 -0.001 0.000 0.229 499 S C 1.750 176.135 174.600 -0.358 0.000 1.043 499 S CA 1.803 59.683 58.200 -0.533 0.000 1.038 499 S CB -0.626 61.757 63.200 -1.361 0.000 0.872 499 S HN 0.598 nan 8.310 nan 0.000 0.456 500 E N 0.964 120.873 120.200 -0.485 0.000 2.007 500 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 500 E C 2.050 178.224 176.600 -0.710 0.000 0.999 500 E CA 1.582 57.652 56.400 -0.549 0.000 0.811 500 E CB -0.320 28.991 29.700 -0.650 0.000 0.762 500 E HN 0.375 nan 8.360 nan 0.000 0.450 501 V N 1.612 121.045 119.914 -0.802 0.000 2.370 501 V HA -0.315 3.805 4.120 -0.001 0.000 0.252 501 V C 2.485 178.578 176.094 -0.002 0.000 1.068 501 V CA 1.715 63.681 62.300 -0.557 0.000 1.061 501 V CB -0.526 31.082 31.823 -0.358 0.000 0.656 501 V HN 0.355 nan 8.190 nan 0.000 0.455 502 L N -0.441 120.832 121.223 0.084 0.000 1.970 502 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 502 L C 2.734 179.844 176.870 0.400 0.000 1.071 502 L CA 2.106 57.163 54.840 0.361 0.000 0.751 502 L CB -0.843 41.459 42.059 0.405 0.000 0.889 502 L HN 0.385 nan 8.230 nan 0.000 0.432 503 S N -0.933 114.892 115.700 0.209 0.000 2.374 503 S HA -0.216 4.254 4.470 -0.001 0.000 0.227 503 S C 1.770 176.674 174.600 0.507 0.000 1.037 503 S CA 1.373 59.738 58.200 0.276 0.000 1.024 503 S CB -0.326 62.959 63.200 0.143 0.000 0.861 503 S HN 0.375 nan 8.310 nan 0.000 0.456 504 W N 1.930 123.364 121.300 0.224 0.000 2.318 504 W HA -0.104 4.555 4.660 -0.001 0.000 0.313 504 W C 2.536 179.221 176.519 0.276 0.000 1.221 504 W CA 0.826 58.297 57.345 0.210 0.000 1.266 504 W CB -1.572 27.984 29.460 0.161 0.000 1.150 504 W HN 0.384 nan 8.180 nan 0.000 0.496 505 Q N -0.574 119.585 119.800 0.599 0.000 2.096 505 Q HA -0.210 4.130 4.340 -0.001 0.000 0.208 505 Q C 2.119 178.281 176.000 0.271 0.000 0.993 505 Q CA 1.806 57.885 55.803 0.459 0.000 0.862 505 Q CB -1.574 27.480 28.738 0.526 0.000 0.915 505 Q HN 0.327 nan 8.270 nan 0.000 0.416 506 F N 1.105 121.189 119.950 0.224 0.000 2.146 506 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 506 F C 2.399 178.327 175.800 0.213 0.000 1.096 506 F CA 1.335 59.429 58.000 0.157 0.000 1.275 506 F CB -0.677 38.442 39.000 0.197 0.000 1.008 506 F HN 0.050 nan 8.300 nan 0.000 0.480 507 S N -1.803 114.166 115.700 0.447 0.000 2.720 507 S HA 0.007 4.477 4.470 -0.001 0.000 0.222 507 S C 1.440 176.156 174.600 0.194 0.000 0.958 507 S CA 0.713 59.100 58.200 0.312 0.000 0.943 507 S CB -0.388 62.975 63.200 0.272 0.000 0.779 507 S HN 0.192 nan 8.310 nan 0.000 0.526 508 S N 0.246 116.049 115.700 0.172 0.000 2.514 508 S HA 0.222 4.692 4.470 -0.001 0.000 0.223 508 S C 1.323 175.942 174.600 0.031 0.000 1.046 508 S CA 0.065 58.318 58.200 0.089 0.000 0.914 508 S CB 0.322 63.589 63.200 0.111 0.000 0.807 508 S HN 0.431 nan 8.310 nan 0.000 0.497 509 V N 2.266 122.184 119.914 0.007 0.000 3.644 509 V HA 0.205 4.324 4.120 -0.001 0.000 0.267 509 V C 1.061 177.155 176.094 0.000 0.000 1.277 509 V CA 1.065 63.334 62.300 -0.053 0.000 1.096 509 V CB -0.084 31.645 31.823 -0.156 0.000 0.828 509 V HN 0.661 nan 8.190 nan 0.000 0.446 510 T N -3.267 111.344 114.554 0.096 0.000 2.618 510 T HA 0.390 4.740 4.350 -0.001 0.000 0.286 510 T C 0.225 175.063 174.700 0.230 0.000 1.027 510 T CA -0.640 61.581 62.100 0.201 0.000 1.063 510 T CB 2.010 71.112 68.868 0.390 0.000 1.440 510 T HN -0.017 nan 8.240 nan 0.000 0.505 511 K N 0.089 120.651 120.400 0.271 0.000 2.374 511 K HA 0.239 4.559 4.320 -0.001 0.000 0.196 511 K C 0.693 177.409 176.600 0.193 0.000 1.023 511 K CA -0.122 56.278 56.287 0.188 0.000 1.103 511 K CB 0.238 32.815 32.500 0.129 0.000 0.848 511 K HN 0.550 nan 8.250 nan 0.000 0.528 512 R N -0.476 120.215 120.500 0.318 0.000 2.548 512 R HA 0.386 4.725 4.340 -0.001 0.000 0.280 512 R C -0.227 176.356 176.300 0.472 0.000 1.061 512 R CA -0.786 55.464 56.100 0.251 0.000 0.915 512 R CB 1.174 31.478 30.300 0.007 0.000 1.210 512 R HN -0.020 nan 8.270 nan 0.000 0.442 513 G N 2.671 111.678 108.800 0.345 0.000 2.580 513 G HA2 0.328 4.288 3.960 -0.001 0.000 0.225 513 G HA3 0.328 4.288 3.960 -0.001 0.000 0.225 513 G C -0.368 174.709 174.900 0.295 0.000 1.521 513 G CA -0.935 44.395 45.100 0.383 0.000 1.068 513 G HN 0.394 nan 8.290 nan 0.000 0.564 514 L N 0.817 122.118 121.223 0.130 0.000 2.325 514 L HA 0.352 4.692 4.340 -0.001 0.000 0.278 514 L C -0.112 176.774 176.870 0.027 0.000 1.023 514 L CA -1.004 53.841 54.840 0.008 0.000 0.811 514 L CB 1.918 43.880 42.059 -0.162 0.000 1.249 514 L HN 0.737 nan 8.230 nan 0.000 0.431 515 N N 0.924 119.636 118.700 0.021 0.000 2.538 515 N HA 0.247 4.987 4.740 -0.001 0.000 0.292 515 N C 0.548 176.068 175.510 0.016 0.000 1.262 515 N CA -0.894 52.168 53.050 0.019 0.000 0.976 515 N CB 0.493 38.991 38.487 0.018 0.000 1.161 515 N HN 0.211 nan 8.380 nan 0.000 0.598 516 V N 0.065 119.992 119.914 0.022 0.000 2.343 516 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 516 V C 1.453 177.588 176.094 0.067 0.000 1.051 516 V CA 1.962 64.283 62.300 0.034 0.000 1.036 516 V CB -0.798 31.043 31.823 0.031 0.000 0.654 516 V HN 0.642 nan 8.190 nan 0.000 0.451 517 D N -0.340 120.099 120.400 0.065 0.000 2.117 517 D HA -0.212 4.428 4.640 -0.001 0.000 0.197 517 D C 2.270 178.635 176.300 0.109 0.000 0.987 517 D CA 1.442 55.492 54.000 0.084 0.000 0.829 517 D CB -0.133 40.709 40.800 0.070 0.000 0.961 517 D HN 0.568 nan 8.370 nan 0.000 0.460 518 Q N 0.298 120.154 119.800 0.092 0.000 2.084 518 Q HA -0.064 4.275 4.340 -0.001 0.000 0.202 518 Q C 2.587 178.617 176.000 0.050 0.000 0.978 518 Q CA 0.725 56.576 55.803 0.081 0.000 0.844 518 Q CB -0.097 28.654 28.738 0.022 0.000 0.898 518 Q HN 0.312 nan 8.270 nan 0.000 0.426 519 L N 0.875 122.142 121.223 0.073 0.000 2.201 519 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 519 L C 1.770 178.890 176.870 0.416 0.000 1.105 519 L CA 0.542 55.499 54.840 0.195 0.000 0.775 519 L CB -0.393 41.714 42.059 0.080 0.000 0.913 519 L HN 0.286 nan 8.230 nan 0.000 0.440 520 N N -0.385 118.493 118.700 0.297 0.000 2.354 520 N HA -0.130 4.610 4.740 -0.001 0.000 0.179 520 N C 1.840 177.452 175.510 0.169 0.000 1.021 520 N CA 0.831 54.050 53.050 0.282 0.000 0.887 520 N CB -0.083 38.514 38.487 0.185 0.000 0.974 520 N HN 0.265 nan 8.380 nan 0.000 0.437 521 M N 0.992 120.704 119.600 0.187 0.000 2.132 521 M HA -0.015 4.465 4.480 -0.001 0.000 0.263 521 M C 1.673 178.111 176.300 0.229 0.000 1.065 521 M CA 1.188 56.607 55.300 0.199 0.000 1.122 521 M CB -0.507 32.251 32.600 0.264 0.000 1.365 521 M HN 0.035 nan 8.290 nan 0.000 0.411 522 L N -0.536 120.856 121.223 0.283 0.000 2.109 522 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 522 L C 2.601 179.522 176.870 0.085 0.000 1.086 522 L CA 1.011 56.072 54.840 0.367 0.000 0.760 522 L CB -1.301 41.044 42.059 0.476 0.000 0.910 522 L HN 0.406 nan 8.230 nan 0.000 0.437 523 G N -0.183 108.579 108.800 -0.065 0.000 2.421 523 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 523 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 523 G C 1.290 175.874 174.900 -0.528 0.000 1.171 523 G CA 0.332 44.944 45.100 -0.812 0.000 0.775 523 G HN 0.404 nan 8.290 nan 0.000 0.543 524 E N -0.259 119.800 120.200 -0.236 0.000 2.512 524 E HA 0.057 4.406 4.350 -0.001 0.000 0.195 524 E C 1.876 178.391 176.600 -0.141 0.000 1.083 524 E CA 0.112 56.411 56.400 -0.169 0.000 0.873 524 E CB 0.183 29.840 29.700 -0.071 0.000 0.897 524 E HN 0.460 nan 8.360 nan 0.000 0.514 525 K N 0.183 120.490 120.400 -0.154 0.000 2.354 525 K HA 0.128 4.448 4.320 -0.001 0.000 0.194 525 K C 1.385 177.849 176.600 -0.227 0.000 1.045 525 K CA 0.121 56.338 56.287 -0.117 0.000 1.026 525 K CB 0.586 33.102 32.500 0.027 0.000 0.866 525 K HN 0.070 nan 8.250 nan 0.000 0.530 526 L N 0.097 121.109 121.223 -0.352 0.000 2.642 526 L HA 0.220 4.560 4.340 -0.001 0.000 0.233 526 L C 1.173 177.857 176.870 -0.311 0.000 1.077 526 L CA 0.205 54.807 54.840 -0.397 0.000 0.879 526 L CB 0.555 42.281 42.059 -0.555 0.000 1.151 526 L HN 0.082 nan 8.230 nan 0.000 0.495 527 L N -1.254 119.768 121.223 -0.336 0.000 3.174 527 L HA 0.433 4.772 4.340 -0.001 0.000 0.283 527 L C 0.879 177.638 176.870 -0.185 0.000 1.187 527 L CA 0.165 54.853 54.840 -0.253 0.000 1.018 527 L CB 0.891 42.760 42.059 -0.316 0.000 1.433 527 L HN 0.235 nan 8.230 nan 0.000 0.593 528 G N 1.361 110.051 108.800 -0.184 0.000 2.782 528 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.228 528 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.228 528 G C -2.000 172.836 174.900 -0.106 0.000 1.372 528 G CA -0.271 44.756 45.100 -0.122 0.000 0.862 528 G HN 0.010 nan 8.290 nan 0.000 0.547 529 P HA -0.144 nan 4.420 nan 0.000 0.218 529 P C 0.916 178.192 177.300 -0.040 0.000 1.150 529 P CA 1.687 64.760 63.100 -0.045 0.000 0.841 529 P CB -0.089 31.593 31.700 -0.030 0.000 0.784 530 N N -0.193 118.478 118.700 -0.047 0.000 2.346 530 N HA 0.200 4.940 4.740 -0.001 0.000 0.225 530 N C 0.352 175.834 175.510 -0.046 0.000 1.144 530 N CA -0.080 52.950 53.050 -0.033 0.000 0.837 530 N CB -0.211 38.260 38.487 -0.026 0.000 1.069 530 N HN 0.119 nan 8.380 nan 0.000 0.487 531 A N 0.651 123.420 122.820 -0.085 0.000 2.565 531 A HA 0.255 4.575 4.320 -0.001 0.000 0.237 531 A C 0.666 178.243 177.584 -0.012 0.000 1.053 531 A CA 0.417 52.368 52.037 -0.142 0.000 0.755 531 A CB 0.177 19.017 19.000 -0.266 0.000 0.980 531 A HN 0.181 nan 8.150 nan 0.000 0.506 532 S N 2.771 118.507 115.700 0.060 0.000 2.537 532 S HA 0.651 5.121 4.470 -0.001 0.000 0.270 532 S C -2.002 172.758 174.600 0.266 0.000 1.142 532 S CA -0.641 57.646 58.200 0.146 0.000 0.870 532 S CB 1.721 64.964 63.200 0.071 0.000 1.112 532 S HN 0.453 nan 8.310 nan 0.000 0.466 533 P HA -0.121 nan 4.420 nan 0.000 0.216 533 P C 0.498 177.874 177.300 0.126 0.000 1.150 533 P CA 1.338 64.542 63.100 0.173 0.000 0.843 533 P CB 0.026 31.754 31.700 0.048 0.000 0.787 534 D N -0.041 120.411 120.400 0.087 0.000 2.317 534 D HA 0.014 4.653 4.640 -0.001 0.000 0.211 534 D C 1.377 177.715 176.300 0.063 0.000 0.966 534 D CA 0.444 54.475 54.000 0.052 0.000 0.876 534 D CB -0.436 40.380 40.800 0.027 0.000 0.927 534 D HN 0.164 nan 8.370 nan 0.000 0.519 535 G N 1.067 109.921 108.800 0.091 0.000 2.321 535 G HA2 0.171 4.131 3.960 -0.001 0.000 0.237 535 G HA3 0.171 4.131 3.960 -0.001 0.000 0.237 535 G C 0.148 175.088 174.900 0.068 0.000 1.282 535 G CA -0.224 44.913 45.100 0.060 0.000 0.886 535 G HN 0.128 nan 8.290 nan 0.000 0.528 536 L N 1.956 123.203 121.223 0.041 0.000 2.350 536 L HA 0.418 4.758 4.340 -0.001 0.000 0.275 536 L C 0.317 177.231 176.870 0.073 0.000 1.099 536 L CA -0.425 54.447 54.840 0.054 0.000 0.808 536 L CB 1.274 43.357 42.059 0.040 0.000 1.149 536 L HN 0.347 nan 8.230 nan 0.000 0.442 537 I N 4.017 124.666 120.570 0.132 0.000 2.437 537 I HA 0.284 4.454 4.170 -0.001 0.000 0.279 537 I C -2.287 174.032 176.117 0.336 0.000 1.028 537 I CA -1.966 59.447 61.300 0.188 0.000 1.142 537 I CB 1.663 39.796 38.000 0.222 0.000 1.266 537 I HN 0.271 nan 8.210 nan 0.000 0.461 538 P HA -0.117 nan 4.420 nan 0.000 0.266 538 P C 0.820 178.298 177.300 0.297 0.000 1.195 538 P CA 0.110 63.377 63.100 0.279 0.000 0.768 538 P CB 0.699 32.487 31.700 0.146 0.000 0.838 539 W N 3.235 124.545 121.300 0.017 0.000 2.302 539 W HA -0.290 4.370 4.660 -0.001 0.000 0.320 539 W C 0.954 177.347 176.519 -0.211 0.000 1.241 539 W CA 2.259 59.274 57.345 -0.550 0.000 1.264 539 W CB -1.142 28.046 29.460 -0.453 0.000 1.154 539 W HN 0.270 nan 8.180 nan 0.000 0.483 540 T N 0.970 115.446 114.554 -0.130 0.000 2.624 540 T HA -0.337 4.012 4.350 -0.001 0.000 0.268 540 T C 1.792 176.396 174.700 -0.160 0.000 1.041 540 T CA 2.232 64.204 62.100 -0.214 0.000 1.159 540 T CB -0.742 68.098 68.868 -0.047 0.000 0.863 540 T HN 0.228 nan 8.240 nan 0.000 0.434 541 R N -0.484 119.996 120.500 -0.032 0.000 2.241 541 R HA 0.002 4.342 4.340 -0.001 0.000 0.224 541 R C 1.974 178.308 176.300 0.058 0.000 1.101 541 R CA 0.714 56.812 56.100 -0.004 0.000 0.995 541 R CB -0.234 30.076 30.300 0.017 0.000 0.870 541 R HN 0.404 nan 8.270 nan 0.000 0.463 542 F N -1.613 118.258 119.950 -0.132 0.000 2.220 542 F HA 0.007 4.533 4.527 -0.001 0.000 0.290 542 F C 1.696 177.480 175.800 -0.027 0.000 1.080 542 F CA 0.711 58.711 58.000 -0.001 0.000 1.318 542 F CB -0.053 38.920 39.000 -0.044 0.000 1.063 542 F HN -0.005 nan 8.300 nan 0.000 0.498 543 C N 0.364 119.351 119.300 -0.522 0.000 3.385 543 C HA 0.362 4.821 4.460 -0.001 0.000 0.288 543 C C 1.574 176.304 174.990 -0.435 0.000 1.429 543 C CA -0.066 58.613 59.018 -0.565 0.000 1.778 543 C CB -1.427 25.761 27.740 -0.920 0.000 2.503 543 C HN 0.450 nan 8.230 nan 0.000 0.646 544 K N 0.050 120.230 120.400 -0.367 0.000 2.494 544 K HA 0.154 4.473 4.320 -0.001 0.000 0.201 544 K C 0.575 177.086 176.600 -0.149 0.000 1.338 544 K CA -0.252 55.888 56.287 -0.246 0.000 0.935 544 K CB 0.108 32.443 32.500 -0.274 0.000 1.514 544 K HN 0.339 nan 8.250 nan 0.000 0.490 545 E N 2.131 122.251 120.200 -0.133 0.000 2.422 545 E HA -0.043 4.307 4.350 -0.001 0.000 0.260 545 E C -0.648 175.889 176.600 -0.105 0.000 1.108 545 E CA 0.066 56.405 56.400 -0.102 0.000 0.943 545 E CB 0.544 30.193 29.700 -0.085 0.000 0.961 545 E HN 0.001 nan 8.360 nan 0.000 0.443 546 N N 1.954 120.577 118.700 -0.129 0.000 2.508 546 N HA 0.246 4.986 4.740 -0.001 0.000 0.285 546 N C -0.430 174.958 175.510 -0.204 0.000 1.144 546 N CA -0.334 52.600 53.050 -0.193 0.000 0.978 546 N CB 0.947 39.311 38.487 -0.205 0.000 1.180 546 N HN 0.485 nan 8.380 nan 0.000 0.484 547 I N 1.343 121.744 120.570 -0.283 0.000 4.019 547 I HA 0.220 4.389 4.170 -0.001 0.000 0.257 547 I C 1.055 177.024 176.117 -0.247 0.000 1.421 547 I CA -0.758 60.415 61.300 -0.212 0.000 0.967 547 I CB 0.371 38.328 38.000 -0.070 0.000 1.591 547 I HN 0.631 nan 8.210 nan 0.000 0.671 548 N N 1.849 120.423 118.700 -0.209 0.000 2.297 548 N HA -0.291 4.448 4.740 -0.001 0.000 0.198 548 N C 0.379 175.788 175.510 -0.168 0.000 0.934 548 N CA 2.327 55.273 53.050 -0.174 0.000 0.936 548 N CB -0.635 37.758 38.487 -0.157 0.000 1.065 548 N HN 0.789 nan 8.380 nan 0.000 0.645 549 D N -3.032 117.241 120.400 -0.211 0.000 2.811 549 D HA 0.032 4.672 4.640 -0.001 0.000 0.370 549 D C -0.064 176.104 176.300 -0.220 0.000 1.412 549 D CA -0.096 53.803 54.000 -0.168 0.000 0.964 549 D CB -0.192 40.539 40.800 -0.116 0.000 1.637 549 D HN 0.133 nan 8.370 nan 0.000 0.377 550 K N 0.258 120.441 120.400 -0.362 0.000 2.868 550 K HA 0.435 4.754 4.320 -0.001 0.000 0.304 550 K C 0.515 176.813 176.600 -0.505 0.000 1.007 550 K CA -0.559 55.404 56.287 -0.541 0.000 1.123 550 K CB 0.340 32.145 32.500 -1.158 0.000 1.408 550 K HN -0.169 nan 8.250 nan 0.000 0.522 551 N N 0.093 118.398 118.700 -0.659 0.000 2.451 551 N HA 0.225 4.965 4.740 -0.001 0.000 0.271 551 N C -1.479 173.953 175.510 -0.131 0.000 1.410 551 N CA -0.029 52.867 53.050 -0.256 0.000 0.884 551 N CB 0.428 38.907 38.487 -0.013 0.000 1.332 551 N HN 0.355 nan 8.380 nan 0.000 0.498 552 F N -1.665 118.249 119.950 -0.061 0.000 2.678 552 F HA 0.662 5.188 4.527 -0.001 0.000 0.308 552 F C -3.175 172.592 175.800 -0.054 0.000 1.118 552 F CA -2.380 55.587 58.000 -0.054 0.000 0.959 552 F CB 0.621 39.597 39.000 -0.040 0.000 1.305 552 F HN -0.247 nan 8.300 nan 0.000 0.443 553 P HA 0.224 nan 4.420 nan 0.000 0.276 553 P C 0.568 177.988 177.300 0.199 0.000 1.252 553 P CA -0.310 62.820 63.100 0.050 0.000 0.802 553 P CB 0.728 32.423 31.700 -0.008 0.000 1.035 554 F N 0.948 120.913 119.950 0.025 0.000 2.065 554 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 554 F C 2.017 177.932 175.800 0.192 0.000 1.112 554 F CA 1.546 59.637 58.000 0.152 0.000 1.212 554 F CB -0.865 38.208 39.000 0.121 0.000 0.975 554 F HN 0.392 nan 8.300 nan 0.000 0.476 555 W N 1.275 122.413 121.300 -0.271 0.000 2.338 555 W HA -0.245 4.415 4.660 -0.001 0.000 0.304 555 W C 1.916 178.295 176.519 -0.233 0.000 1.212 555 W CA 1.912 58.966 57.345 -0.484 0.000 1.264 555 W CB -0.540 28.458 29.460 -0.770 0.000 1.142 555 W HN 0.115 nan 8.180 nan 0.000 0.512 556 L N -0.570 120.440 121.223 -0.355 0.000 2.275 556 L HA -0.173 4.166 4.340 -0.001 0.000 0.215 556 L C 2.228 178.879 176.870 -0.365 0.000 1.119 556 L CA 1.430 56.035 54.840 -0.391 0.000 0.790 556 L CB -1.176 40.807 42.059 -0.126 0.000 0.919 556 L HN 0.095 nan 8.230 nan 0.000 0.443 557 W N 1.125 122.178 121.300 -0.411 0.000 2.407 557 W HA -0.117 4.543 4.660 -0.001 0.000 0.305 557 W C 2.180 178.403 176.519 -0.493 0.000 1.196 557 W CA 1.077 58.181 57.345 -0.402 0.000 1.311 557 W CB -0.214 29.181 29.460 -0.108 0.000 1.135 557 W HN -0.076 nan 8.180 nan 0.000 0.514 558 I N 0.806 120.952 120.570 -0.706 0.000 2.226 558 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 558 I C 2.536 178.103 176.117 -0.915 0.000 1.100 558 I CA 1.582 62.370 61.300 -0.852 0.000 1.374 558 I CB -0.459 37.167 38.000 -0.624 0.000 1.057 558 I HN -0.045 nan 8.210 nan 0.000 0.413 559 E N 0.408 119.913 120.200 -1.158 0.000 2.204 559 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 559 E C 2.239 178.445 176.600 -0.657 0.000 0.990 559 E CA 1.542 57.364 56.400 -0.963 0.000 0.821 559 E CB -0.041 29.130 29.700 -0.883 0.000 0.750 559 E HN 0.546 nan 8.360 nan 0.000 0.477 560 S N -0.849 114.473 115.700 -0.631 0.000 2.501 560 S HA 0.097 4.567 4.470 -0.001 0.000 0.220 560 S C 2.060 176.300 174.600 -0.600 0.000 0.997 560 S CA -0.055 57.833 58.200 -0.520 0.000 0.919 560 S CB -0.128 62.807 63.200 -0.441 0.000 0.778 560 S HN 0.145 nan 8.310 nan 0.000 0.523 561 I N 1.162 121.264 120.570 -0.780 0.000 2.333 561 I HA -0.042 4.128 4.170 -0.001 0.000 0.246 561 I C 2.418 178.036 176.117 -0.833 0.000 1.106 561 I CA 0.722 61.447 61.300 -0.959 0.000 1.411 561 I CB -0.281 36.964 38.000 -1.259 0.000 1.082 561 I HN 0.277 nan 8.210 nan 0.000 0.420 562 L N 0.637 121.393 121.223 -0.779 0.000 1.990 562 L HA -0.267 4.073 4.340 -0.001 0.000 0.213 562 L C 2.490 179.050 176.870 -0.518 0.000 1.072 562 L CA 1.877 56.270 54.840 -0.745 0.000 0.755 562 L CB -0.628 40.989 42.059 -0.738 0.000 0.889 562 L HN 0.327 nan 8.230 nan 0.000 0.432 563 E N -0.356 119.577 120.200 -0.444 0.000 2.204 563 E HA -0.266 4.084 4.350 -0.001 0.000 0.195 563 E C 2.042 178.474 176.600 -0.281 0.000 0.990 563 E CA 0.984 57.194 56.400 -0.317 0.000 0.821 563 E CB -0.025 29.512 29.700 -0.271 0.000 0.750 563 E HN 0.295 nan 8.360 nan 0.000 0.477 564 L N 0.582 121.592 121.223 -0.355 0.000 2.131 564 L HA -0.076 4.263 4.340 -0.001 0.000 0.206 564 L C 1.922 178.668 176.870 -0.206 0.000 1.087 564 L CA 1.204 55.885 54.840 -0.264 0.000 0.767 564 L CB -0.050 41.782 42.059 -0.379 0.000 0.917 564 L HN 0.049 nan 8.230 nan 0.000 0.441 565 I N -0.157 120.220 120.570 -0.323 0.000 2.113 565 I HA -0.324 3.846 4.170 -0.001 0.000 0.238 565 I C 2.550 178.581 176.117 -0.142 0.000 1.070 565 I CA 1.739 62.910 61.300 -0.214 0.000 1.332 565 I CB -0.493 37.275 38.000 -0.388 0.000 1.044 565 I HN 0.261 nan 8.210 nan 0.000 0.402 566 K N 1.447 121.725 120.400 -0.203 0.000 2.160 566 K HA -0.212 4.107 4.320 -0.001 0.000 0.206 566 K C 1.453 177.957 176.600 -0.160 0.000 1.047 566 K CA 1.670 57.860 56.287 -0.162 0.000 0.930 566 K CB 0.049 32.435 32.500 -0.189 0.000 0.720 566 K HN 0.300 nan 8.250 nan 0.000 0.450 567 K N -1.384 118.894 120.400 -0.204 0.000 2.373 567 K HA 0.098 4.417 4.320 -0.001 0.000 0.202 567 K C 0.201 176.423 176.600 -0.631 0.000 1.025 567 K CA 0.010 56.071 56.287 -0.378 0.000 1.115 567 K CB 0.661 32.900 32.500 -0.435 0.000 0.858 567 K HN 0.222 nan 8.250 nan 0.000 0.525 568 H N -1.325 117.705 119.070 -0.066 0.000 3.652 568 H HA 0.144 4.700 4.556 -0.001 0.000 0.262 568 H C 0.451 175.765 175.328 -0.023 0.000 1.104 568 H CA 0.146 56.167 56.048 -0.044 0.000 1.182 568 H CB 0.659 30.377 29.762 -0.073 0.000 1.756 568 H HN -0.025 nan 8.280 nan 0.000 0.867 569 L N 0.627 121.907 121.223 0.094 0.000 3.386 569 L HA 0.204 4.544 4.340 -0.001 0.000 0.307 569 L C 1.776 178.737 176.870 0.151 0.000 1.235 569 L CA 0.133 55.041 54.840 0.113 0.000 1.056 569 L CB 0.743 42.886 42.059 0.140 0.000 1.453 569 L HN -0.035 nan 8.230 nan 0.000 0.615 570 L N 1.777 123.071 121.223 0.118 0.000 1.991 570 L HA -0.194 4.146 4.340 -0.001 0.000 0.221 570 L C -0.057 176.912 176.870 0.166 0.000 1.079 570 L CA 2.294 57.236 54.840 0.170 0.000 0.778 570 L CB -1.314 40.807 42.059 0.103 0.000 0.893 570 L HN 0.252 nan 8.230 nan 0.000 0.437 571 P HA -0.213 nan 4.420 nan 0.000 0.214 571 P C 1.895 179.133 177.300 -0.103 0.000 1.163 571 P CA 1.792 64.918 63.100 0.043 0.000 0.889 571 P CB -0.086 31.666 31.700 0.087 0.000 0.790 572 L N -1.781 119.267 121.223 -0.292 0.000 2.012 572 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 572 L C 2.970 179.834 176.870 -0.010 0.000 1.073 572 L CA 1.794 56.474 54.840 -0.268 0.000 0.748 572 L CB -1.328 40.685 42.059 -0.078 0.000 0.891 572 L HN 0.141 nan 8.230 nan 0.000 0.431 573 W N 1.925 123.221 121.300 -0.007 0.000 2.353 573 W HA -0.228 4.431 4.660 -0.001 0.000 0.319 573 W C 2.348 178.914 176.519 0.078 0.000 1.207 573 W CA 1.790 59.177 57.345 0.071 0.000 1.291 573 W CB -0.370 29.174 29.460 0.141 0.000 1.159 573 W HN 0.255 nan 8.180 nan 0.000 0.478 574 N N 0.858 119.556 118.700 -0.003 0.000 2.036 574 N HA -0.176 4.564 4.740 -0.001 0.000 0.195 574 N C 0.545 175.960 175.510 -0.158 0.000 1.037 574 N CA 1.912 54.907 53.050 -0.092 0.000 0.855 574 N CB -1.112 37.428 38.487 0.089 0.000 1.033 574 N HN 0.160 nan 8.380 nan 0.000 0.423 575 D N 0.887 121.252 120.400 -0.058 0.000 2.977 575 D HA 0.125 4.765 4.640 -0.001 0.000 0.241 575 D C 0.621 176.865 176.300 -0.094 0.000 1.206 575 D CA 0.065 54.045 54.000 -0.033 0.000 0.902 575 D CB -1.010 39.847 40.800 0.096 0.000 1.131 575 D HN 0.241 nan 8.370 nan 0.000 0.447 576 G N 0.562 109.226 108.800 -0.227 0.000 2.451 576 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.296 576 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.296 576 G C 0.949 175.766 174.900 -0.138 0.000 0.922 576 G CA 0.331 45.279 45.100 -0.253 0.000 1.074 576 G HN 0.541 nan 8.290 nan 0.000 0.509 577 C N -0.733 118.508 119.300 -0.099 0.000 2.906 577 C HA 0.518 4.977 4.460 -0.001 0.000 0.274 577 C C 1.072 176.074 174.990 0.019 0.000 1.257 577 C CA -0.685 58.316 59.018 -0.027 0.000 1.695 577 C CB -0.879 26.842 27.740 -0.033 0.000 1.958 577 C HN 0.532 nan 8.230 nan 0.000 0.619 578 I N 0.548 121.093 120.570 -0.041 0.000 2.465 578 I HA 0.319 4.488 4.170 -0.001 0.000 0.291 578 I C 0.346 176.418 176.117 -0.075 0.000 1.014 578 I CA -0.186 61.088 61.300 -0.043 0.000 1.093 578 I CB 1.625 39.634 38.000 0.014 0.000 1.267 578 I HN 0.014 nan 8.210 nan 0.000 0.431 579 M N 3.749 123.293 119.600 -0.092 0.000 2.576 579 M HA 0.187 4.667 4.480 -0.001 0.000 0.322 579 M C 1.802 178.089 176.300 -0.022 0.000 1.184 579 M CA -0.062 55.215 55.300 -0.038 0.000 0.967 579 M CB 0.643 33.190 32.600 -0.089 0.000 1.372 579 M HN 0.999 nan 8.290 nan 0.000 0.509 580 G N 1.828 110.480 108.800 -0.247 0.000 3.010 580 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 580 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 580 G C 0.334 175.108 174.900 -0.211 0.000 1.068 580 G CA 1.368 46.102 45.100 -0.609 0.000 0.731 580 G HN 0.483 nan 8.290 nan 0.000 0.663 581 F N 1.165 121.190 119.950 0.126 0.000 2.384 581 F HA 0.584 5.110 4.527 -0.001 0.000 0.359 581 F C 0.275 176.164 175.800 0.148 0.000 1.143 581 F CA -0.476 57.649 58.000 0.208 0.000 1.216 581 F CB 0.541 39.689 39.000 0.246 0.000 1.512 581 F HN -0.099 nan 8.300 nan 0.000 0.573 582 I N 1.173 121.889 120.570 0.243 0.000 2.447 582 I HA 0.168 4.338 4.170 -0.001 0.000 0.287 582 I C 0.350 176.551 176.117 0.140 0.000 1.023 582 I CA -0.830 60.564 61.300 0.157 0.000 1.083 582 I CB 1.844 39.884 38.000 0.066 0.000 1.245 582 I HN 0.274 nan 8.210 nan 0.000 0.434 583 S N 4.561 120.339 115.700 0.131 0.000 2.571 583 S HA -0.051 4.419 4.470 -0.001 0.000 0.298 583 S C 1.332 175.978 174.600 0.075 0.000 1.280 583 S CA 0.357 58.617 58.200 0.101 0.000 1.052 583 S CB 0.460 63.706 63.200 0.078 0.000 0.799 583 S HN 0.606 nan 8.310 nan 0.000 0.501 584 K N 2.921 123.361 120.400 0.067 0.000 2.288 584 K HA -0.069 4.251 4.320 -0.001 0.000 0.201 584 K C 1.818 178.440 176.600 0.036 0.000 1.048 584 K CA 1.015 57.335 56.287 0.055 0.000 0.956 584 K CB 0.012 32.548 32.500 0.060 0.000 0.746 584 K HN 0.672 nan 8.250 nan 0.000 0.461 585 E N 0.990 121.210 120.200 0.033 0.000 1.998 585 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 585 E C 2.110 178.712 176.600 0.004 0.000 1.003 585 E CA 0.805 57.218 56.400 0.022 0.000 0.829 585 E CB -0.151 29.564 29.700 0.025 0.000 0.777 585 E HN 0.156 nan 8.360 nan 0.000 0.460 586 R N 1.369 121.876 120.500 0.012 0.000 2.170 586 R HA -0.227 4.113 4.340 -0.001 0.000 0.242 586 R C 2.149 178.433 176.300 -0.027 0.000 1.145 586 R CA 1.561 57.661 56.100 0.001 0.000 0.984 586 R CB -0.143 30.169 30.300 0.019 0.000 0.869 586 R HN 0.287 nan 8.270 nan 0.000 0.455 587 E N 0.646 120.831 120.200 -0.025 0.000 2.000 587 E HA -0.264 4.085 4.350 -0.001 0.000 0.199 587 E C 1.842 178.362 176.600 -0.135 0.000 1.011 587 E CA 1.521 57.888 56.400 -0.054 0.000 0.836 587 E CB -0.100 29.593 29.700 -0.013 0.000 0.778 587 E HN 0.317 nan 8.360 nan 0.000 0.462 588 R N 0.354 120.754 120.500 -0.167 0.000 2.206 588 R HA -0.308 4.032 4.340 -0.001 0.000 0.240 588 R C 2.564 178.681 176.300 -0.305 0.000 1.117 588 R CA 1.944 57.839 56.100 -0.340 0.000 0.915 588 R CB -1.109 29.116 30.300 -0.124 0.000 0.888 588 R HN 0.396 nan 8.270 nan 0.000 0.432 589 A N 1.235 123.980 122.820 -0.124 0.000 1.909 589 A HA -0.232 4.088 4.320 -0.001 0.000 0.221 589 A C 2.073 179.630 177.584 -0.045 0.000 1.223 589 A CA 2.006 54.009 52.037 -0.056 0.000 0.658 589 A CB -0.686 18.306 19.000 -0.014 0.000 0.831 589 A HN 0.327 nan 8.150 nan 0.000 0.462 590 L N -0.793 120.405 121.223 -0.041 0.000 2.610 590 L HA 0.186 4.525 4.340 -0.001 0.000 0.232 590 L C 1.422 178.315 176.870 0.039 0.000 1.149 590 L CA 0.993 55.850 54.840 0.029 0.000 0.872 590 L CB -0.481 41.609 42.059 0.051 0.000 0.992 590 L HN 0.409 nan 8.230 nan 0.000 0.447 591 L N -0.789 120.369 121.223 -0.108 0.000 2.628 591 L HA 0.124 4.463 4.340 -0.001 0.000 0.229 591 L C 0.644 177.539 176.870 0.043 0.000 1.137 591 L CA -0.026 54.762 54.840 -0.087 0.000 0.909 591 L CB -0.154 41.725 42.059 -0.300 0.000 1.137 591 L HN 0.092 nan 8.230 nan 0.000 0.470 592 K N 0.851 121.289 120.400 0.064 0.000 2.142 592 K HA 0.038 4.358 4.320 -0.001 0.000 0.250 592 K C -0.072 176.596 176.600 0.113 0.000 1.148 592 K CA -0.042 56.340 56.287 0.158 0.000 1.040 592 K CB 0.336 32.920 32.500 0.139 0.000 1.569 592 K HN -0.073 nan 8.250 nan 0.000 0.361 593 D N 0.872 121.348 120.400 0.128 0.000 2.500 593 D HA -0.100 4.540 4.640 -0.001 0.000 0.217 593 D C 0.503 176.857 176.300 0.090 0.000 1.159 593 D CA 0.017 54.073 54.000 0.093 0.000 0.828 593 D CB 0.380 41.244 40.800 0.107 0.000 1.039 593 D HN 0.405 nan 8.370 nan 0.000 0.512 594 Q N 1.015 120.890 119.800 0.125 0.000 2.325 594 Q HA -0.283 4.057 4.340 -0.001 0.000 0.346 594 Q C -0.988 175.056 176.000 0.075 0.000 1.253 594 Q CA 0.798 56.666 55.803 0.109 0.000 1.050 594 Q CB -1.192 27.596 28.738 0.085 0.000 1.291 594 Q HN 0.485 nan 8.270 nan 0.000 0.431 595 Q N -0.031 119.816 119.800 0.078 0.000 2.700 595 Q HA 0.229 4.569 4.340 -0.001 0.000 0.249 595 Q C -2.022 174.022 176.000 0.073 0.000 1.033 595 Q CA -1.946 53.884 55.803 0.045 0.000 0.804 595 Q CB 1.340 30.090 28.738 0.020 0.000 1.164 595 Q HN 0.181 nan 8.270 nan 0.000 0.500 596 P HA -0.229 nan 4.420 nan 0.000 0.222 596 P C 0.511 177.885 177.300 0.123 0.000 1.139 596 P CA 1.208 64.372 63.100 0.107 0.000 0.794 596 P CB 0.097 31.841 31.700 0.073 0.000 0.750 597 G N -0.541 108.297 108.800 0.064 0.000 3.343 597 G HA2 0.171 4.131 3.960 -0.001 0.000 0.279 597 G HA3 0.171 4.131 3.960 -0.001 0.000 0.279 597 G C -0.230 174.710 174.900 0.067 0.000 0.919 597 G CA -0.065 45.026 45.100 -0.015 0.000 1.812 597 G HN -0.010 nan 8.290 nan 0.000 0.584 598 T N 2.845 117.528 114.554 0.216 0.000 3.005 598 T HA 0.300 4.650 4.350 -0.001 0.000 0.323 598 T C -0.722 174.276 174.700 0.496 0.000 1.131 598 T CA -0.184 62.114 62.100 0.329 0.000 0.977 598 T CB -0.041 69.044 68.868 0.362 0.000 1.055 598 T HN 0.185 nan 8.240 nan 0.000 0.562 599 F N 3.023 123.064 119.950 0.152 0.000 2.404 599 F HA 0.720 5.247 4.527 -0.001 0.000 0.339 599 F C -0.027 175.879 175.800 0.176 0.000 1.105 599 F CA -1.947 56.135 58.000 0.136 0.000 1.087 599 F CB 1.558 40.649 39.000 0.151 0.000 1.143 599 F HN 0.242 nan 8.300 nan 0.000 0.491 600 L N 5.375 126.708 121.223 0.184 0.000 2.752 600 L HA 0.395 4.735 4.340 -0.001 0.000 0.257 600 L C -1.835 175.078 176.870 0.071 0.000 0.968 600 L CA -0.128 54.769 54.840 0.095 0.000 0.953 600 L CB 1.078 43.172 42.059 0.058 0.000 1.286 600 L HN 0.404 nan 8.230 nan 0.000 0.443 601 L N 4.623 125.882 121.223 0.061 0.000 2.278 601 L HA 0.558 4.897 4.340 -0.001 0.000 0.287 601 L C 0.233 177.049 176.870 -0.091 0.000 1.072 601 L CA -0.218 54.660 54.840 0.063 0.000 0.819 601 L CB 0.844 42.993 42.059 0.149 0.000 1.176 601 L HN 0.617 nan 8.230 nan 0.000 0.435 602 R N 2.615 123.058 120.500 -0.095 0.000 2.711 602 R HA 0.528 4.867 4.340 -0.001 0.000 0.284 602 R C -1.025 175.168 176.300 -0.178 0.000 0.968 602 R CA -0.743 55.265 56.100 -0.154 0.000 0.924 602 R CB 1.433 31.720 30.300 -0.022 0.000 1.162 602 R HN 0.205 nan 8.270 nan 0.000 0.465 603 F N 1.062 120.908 119.950 -0.174 0.000 2.418 603 F HA 0.171 4.698 4.527 -0.001 0.000 0.341 603 F C 1.081 176.814 175.800 -0.112 0.000 1.120 603 F CA -0.009 57.833 58.000 -0.262 0.000 1.232 603 F CB 1.518 40.181 39.000 -0.561 0.000 1.175 603 F HN 0.390 nan 8.300 nan 0.000 0.569 604 S N 1.637 117.425 115.700 0.146 0.000 2.549 604 S HA 0.079 4.548 4.470 -0.001 0.000 0.279 604 S C 0.931 175.740 174.600 0.347 0.000 1.321 604 S CA -0.365 57.925 58.200 0.150 0.000 1.054 604 S CB 0.321 63.549 63.200 0.047 0.000 0.899 604 S HN 0.700 nan 8.310 nan 0.000 0.497 605 E N 2.713 123.095 120.200 0.302 0.000 2.442 605 E HA 0.011 4.361 4.350 -0.001 0.000 0.195 605 E C 1.408 178.116 176.600 0.181 0.000 1.030 605 E CA 0.264 56.835 56.400 0.286 0.000 0.869 605 E CB 0.210 29.964 29.700 0.091 0.000 0.857 605 E HN 0.635 nan 8.360 nan 0.000 0.505 606 S N 0.433 116.240 115.700 0.178 0.000 2.404 606 S HA 0.028 4.498 4.470 -0.001 0.000 0.223 606 S C 1.006 175.724 174.600 0.196 0.000 1.040 606 S CA -0.072 58.250 58.200 0.204 0.000 0.957 606 S CB 0.298 63.558 63.200 0.099 0.000 0.826 606 S HN 0.021 nan 8.310 nan 0.000 0.491 607 S N 1.488 117.192 115.700 0.006 0.000 2.558 607 S HA 0.263 4.733 4.470 -0.001 0.000 0.288 607 S C 1.513 175.764 174.600 -0.583 0.000 1.318 607 S CA 0.100 58.198 58.200 -0.170 0.000 1.056 607 S CB 0.751 63.860 63.200 -0.153 0.000 0.853 607 S HN 0.582 nan 8.310 nan 0.000 0.505 608 R N 1.905 122.133 120.500 -0.454 0.000 2.316 608 R HA 0.075 4.414 4.340 -0.001 0.000 0.202 608 R C 1.316 177.360 176.300 -0.427 0.000 1.029 608 R CA 1.526 57.296 56.100 -0.550 0.000 1.018 608 R CB -0.845 29.352 30.300 -0.173 0.000 0.888 608 R HN 0.812 nan 8.270 nan 0.000 0.471 609 E N -2.243 117.745 120.200 -0.353 0.000 2.406 609 E HA 0.349 4.699 4.350 -0.001 0.000 0.204 609 E C 0.413 176.832 176.600 -0.301 0.000 0.820 609 E CA 0.752 56.992 56.400 -0.267 0.000 1.136 609 E CB 1.358 30.944 29.700 -0.190 0.000 1.129 609 E HN 0.612 nan 8.360 nan 0.000 0.530 610 G N 0.615 109.230 108.800 -0.309 0.000 3.435 610 G HA2 0.368 4.328 3.960 -0.001 0.000 0.683 610 G HA3 0.368 4.328 3.960 -0.001 0.000 0.683 610 G C -0.746 173.986 174.900 -0.281 0.000 1.189 610 G CA -0.461 44.419 45.100 -0.367 0.000 1.069 610 G HN 0.450 nan 8.290 nan 0.000 0.508 611 A N 1.336 124.017 122.820 -0.232 0.000 2.566 611 A HA 0.994 5.313 4.320 -0.001 0.000 0.292 611 A C -0.891 176.636 177.584 -0.095 0.000 1.112 611 A CA -0.772 51.167 52.037 -0.163 0.000 0.707 611 A CB 1.421 20.339 19.000 -0.137 0.000 1.302 611 A HN 1.598 nan 8.150 nan 0.000 0.409 612 I N 0.049 120.549 120.570 -0.117 0.000 2.608 612 I HA 0.674 4.844 4.170 -0.001 0.000 0.295 612 I C 0.102 176.178 176.117 -0.067 0.000 1.049 612 I CA -0.124 61.101 61.300 -0.125 0.000 1.063 612 I CB 2.247 39.965 38.000 -0.471 0.000 1.248 612 I HN 0.539 nan 8.210 nan 0.000 0.424 613 T N 4.429 118.951 114.554 -0.054 0.000 2.916 613 T HA 0.788 5.138 4.350 -0.001 0.000 0.292 613 T C -0.919 173.769 174.700 -0.020 0.000 1.064 613 T CA -0.433 61.593 62.100 -0.123 0.000 1.011 613 T CB 1.582 70.377 68.868 -0.121 0.000 1.152 613 T HN 0.349 nan 8.240 nan 0.000 0.510 614 F N -0.904 119.067 119.950 0.034 0.000 2.579 614 F HA 0.867 5.393 4.527 -0.001 0.000 0.324 614 F C -0.329 175.466 175.800 -0.008 0.000 1.058 614 F CA -1.369 56.579 58.000 -0.087 0.000 0.944 614 F CB 0.531 39.297 39.000 -0.391 0.000 1.245 614 F HN 0.330 nan 8.300 nan 0.000 0.477 615 T N 1.633 116.412 114.554 0.376 0.000 2.856 615 T HA 0.235 4.585 4.350 -0.001 0.000 0.283 615 T C -1.558 173.439 174.700 0.494 0.000 1.008 615 T CA -0.269 62.089 62.100 0.430 0.000 0.997 615 T CB 1.181 70.233 68.868 0.306 0.000 0.992 615 T HN 0.578 nan 8.240 nan 0.000 0.454 616 W N 3.123 124.648 121.300 0.374 0.000 2.417 616 W HA 0.616 5.276 4.660 -0.001 0.000 0.317 616 W C -1.161 175.562 176.519 0.341 0.000 1.121 616 W CA -1.035 56.513 57.345 0.338 0.000 1.208 616 W CB 1.031 30.717 29.460 0.376 0.000 1.253 616 W HN 0.287 nan 8.180 nan 0.000 0.533 617 V N 5.654 125.925 119.914 0.594 0.000 2.614 617 V HA 0.161 4.280 4.120 -0.001 0.000 0.281 617 V C -0.112 176.098 176.094 0.194 0.000 1.031 617 V CA -0.770 61.746 62.300 0.360 0.000 0.899 617 V CB 1.273 33.580 31.823 0.806 0.000 1.037 617 V HN 0.520 nan 8.190 nan 0.000 0.456 618 E N 3.049 123.232 120.200 -0.030 0.000 2.678 618 E HA 0.635 4.984 4.350 -0.001 0.000 0.204 618 E C -0.558 175.982 176.600 -0.099 0.000 0.743 618 E CA -1.131 55.266 56.400 -0.006 0.000 1.082 618 E CB 1.734 31.437 29.700 0.005 0.000 1.721 618 E HN 0.345 nan 8.360 nan 0.000 0.390 619 R N 0.475 120.924 120.500 -0.085 0.000 2.668 619 R HA 0.250 4.590 4.340 -0.001 0.000 0.279 619 R C 0.617 176.840 176.300 -0.128 0.000 0.976 619 R CA -0.198 55.844 56.100 -0.097 0.000 0.978 619 R CB 1.620 31.894 30.300 -0.044 0.000 1.133 619 R HN 0.360 nan 8.270 nan 0.000 0.484 620 S N 1.293 116.917 115.700 -0.127 0.000 2.607 620 S HA -0.077 4.392 4.470 -0.001 0.000 0.224 620 S C 0.369 174.926 174.600 -0.072 0.000 0.969 620 S CA 0.655 58.785 58.200 -0.117 0.000 0.927 620 S CB -0.012 63.119 63.200 -0.114 0.000 0.772 620 S HN 0.650 nan 8.310 nan 0.000 0.533 621 Q N -0.463 119.304 119.800 -0.054 0.000 2.284 621 Q HA -0.188 4.152 4.340 -0.001 0.000 0.205 621 Q C -0.461 175.522 176.000 -0.028 0.000 0.682 621 Q CA 1.261 57.043 55.803 -0.036 0.000 1.401 621 Q CB -1.465 27.252 28.738 -0.034 0.000 1.643 621 Q HN 0.515 nan 8.270 nan 0.000 0.717 622 N N -0.982 117.700 118.700 -0.031 0.000 2.453 622 N HA 0.236 4.976 4.740 -0.001 0.000 0.267 622 N C -0.163 175.335 175.510 -0.020 0.000 1.482 622 N CA 0.648 53.684 53.050 -0.023 0.000 0.841 622 N CB 1.485 39.959 38.487 -0.022 0.000 1.408 622 N HN 0.370 nan 8.380 nan 0.000 0.490 623 G N 0.690 109.478 108.800 -0.021 0.000 2.415 623 G HA2 0.031 3.991 3.960 -0.001 0.000 0.283 623 G HA3 0.031 3.991 3.960 -0.001 0.000 0.283 623 G C 0.125 175.016 174.900 -0.015 0.000 1.014 623 G CA 0.104 45.197 45.100 -0.013 0.000 1.323 623 G HN 0.616 nan 8.290 nan 0.000 0.502 624 G N -0.869 107.916 108.800 -0.024 0.000 2.139 624 G HA2 0.828 4.788 3.960 -0.001 0.000 0.315 624 G HA3 0.828 4.788 3.960 -0.001 0.000 0.315 624 G C -0.444 174.409 174.900 -0.078 0.000 1.599 624 G CA 0.594 45.675 45.100 -0.032 0.000 0.960 624 G HN 1.662 nan 8.290 nan 0.000 0.615 625 E N 3.799 123.956 120.200 -0.072 0.000 2.465 625 E HA 0.472 4.822 4.350 -0.001 0.000 0.260 625 E C -2.008 174.355 176.600 -0.396 0.000 0.980 625 E CA -0.983 55.305 56.400 -0.186 0.000 0.927 625 E CB -0.187 29.469 29.700 -0.073 0.000 0.934 625 E HN 0.510 nan 8.360 nan 0.000 0.459 626 P HA 0.109 nan 4.420 nan 0.000 0.271 626 P C -0.401 176.409 177.300 -0.817 0.000 1.216 626 P CA -0.356 62.432 63.100 -0.520 0.000 0.771 626 P CB 0.867 32.264 31.700 -0.505 0.000 0.864 627 D N 2.563 122.688 120.400 -0.459 0.000 2.436 627 D HA -0.164 4.476 4.640 -0.001 0.000 0.229 627 D C 0.232 176.576 176.300 0.074 0.000 1.011 627 D CA 0.734 54.654 54.000 -0.134 0.000 1.003 627 D CB -1.113 39.775 40.800 0.146 0.000 0.857 627 D HN 0.434 nan 8.370 nan 0.000 0.514 628 F N -1.623 118.331 119.950 0.006 0.000 3.039 628 F HA -0.249 4.278 4.527 -0.001 0.000 0.287 628 F C 0.249 176.242 175.800 0.322 0.000 0.956 628 F CA -0.172 57.911 58.000 0.139 0.000 0.971 628 F CB -3.107 35.972 39.000 0.131 0.000 0.943 628 F HN 0.301 nan 8.300 nan 0.000 0.766 629 H N -0.407 118.763 119.070 0.167 0.000 2.825 629 H HA 0.159 4.714 4.556 -0.001 0.000 0.206 629 H C 0.639 176.308 175.328 0.568 0.000 0.625 629 H CA 0.042 56.288 56.048 0.329 0.000 1.439 629 H CB -0.258 29.512 29.762 0.014 0.000 1.420 629 H HN 0.677 nan 8.280 nan 0.000 0.405 630 A N 4.250 127.372 122.820 0.503 0.000 2.357 630 A HA 0.428 4.748 4.320 -0.001 0.000 0.295 630 A C 0.041 177.743 177.584 0.197 0.000 1.121 630 A CA -0.742 51.510 52.037 0.358 0.000 0.742 630 A CB 1.127 20.263 19.000 0.226 0.000 1.181 630 A HN 0.386 nan 8.150 nan 0.000 0.454 631 V N 2.835 122.800 119.914 0.084 0.000 2.999 631 V HA 0.035 4.155 4.120 -0.001 0.000 0.307 631 V C 0.990 176.928 176.094 -0.260 0.000 1.084 631 V CA 0.076 62.298 62.300 -0.130 0.000 1.155 631 V CB 0.642 32.164 31.823 -0.501 0.000 0.975 631 V HN 1.013 nan 8.190 nan 0.000 0.490 632 E N 4.665 124.708 120.200 -0.262 0.000 2.442 632 E HA 0.135 4.485 4.350 -0.001 0.000 0.262 632 E C -2.563 173.721 176.600 -0.525 0.000 1.004 632 E CA -1.440 54.786 56.400 -0.290 0.000 0.928 632 E CB -0.256 29.307 29.700 -0.228 0.000 0.937 632 E HN 0.429 nan 8.360 nan 0.000 0.446 633 P HA -0.073 nan 4.420 nan 0.000 0.269 633 P C -1.293 175.717 177.300 -0.485 0.000 1.217 633 P CA 0.396 63.272 63.100 -0.373 0.000 0.783 633 P CB 0.194 31.785 31.700 -0.182 0.000 0.898 634 Y N -0.301 119.901 120.300 -0.163 0.000 2.331 634 Y HA 0.408 4.958 4.550 -0.001 0.000 0.338 634 Y C 1.286 177.070 175.900 -0.193 0.000 0.992 634 Y CA -0.184 57.824 58.100 -0.153 0.000 1.121 634 Y CB 1.320 39.709 38.460 -0.119 0.000 1.184 634 Y HN 0.234 nan 8.280 nan 0.000 0.469 635 T N 1.055 115.584 114.554 -0.041 0.000 2.888 635 T HA 0.219 4.569 4.350 -0.001 0.000 0.283 635 T C 1.181 175.783 174.700 -0.164 0.000 1.013 635 T CA -0.591 61.440 62.100 -0.115 0.000 0.938 635 T CB 0.780 69.586 68.868 -0.104 0.000 1.298 635 T HN 0.642 nan 8.240 nan 0.000 0.580 636 K N 0.720 121.009 120.400 -0.183 0.000 2.103 636 K HA -0.030 4.290 4.320 -0.001 0.000 0.207 636 K C 2.035 178.517 176.600 -0.197 0.000 1.048 636 K CA 1.388 57.522 56.287 -0.256 0.000 0.930 636 K CB -0.259 32.202 32.500 -0.064 0.000 0.716 636 K HN 0.465 nan 8.250 nan 0.000 0.444 637 K N 1.489 121.833 120.400 -0.094 0.000 1.974 637 K HA -0.288 4.031 4.320 -0.001 0.000 0.229 637 K C 1.847 178.423 176.600 -0.041 0.000 1.038 637 K CA 2.321 58.580 56.287 -0.046 0.000 1.034 637 K CB -0.241 32.243 32.500 -0.026 0.000 0.742 637 K HN 0.047 nan 8.250 nan 0.000 0.446 638 E N 0.511 120.710 120.200 -0.002 0.000 2.208 638 E HA -0.232 4.118 4.350 -0.001 0.000 0.202 638 E C 1.894 178.478 176.600 -0.026 0.000 1.014 638 E CA 1.533 57.956 56.400 0.038 0.000 0.819 638 E CB -0.176 29.633 29.700 0.181 0.000 0.735 638 E HN 0.257 nan 8.360 nan 0.000 0.469 639 L N 0.179 121.329 121.223 -0.122 0.000 2.179 639 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 639 L C 2.166 178.955 176.870 -0.135 0.000 1.096 639 L CA 1.618 56.331 54.840 -0.212 0.000 0.779 639 L CB -0.495 41.260 42.059 -0.506 0.000 0.922 639 L HN 0.154 nan 8.230 nan 0.000 0.443 640 S N -1.244 114.399 115.700 -0.096 0.000 2.428 640 S HA -0.006 4.464 4.470 -0.001 0.000 0.230 640 S C 1.928 176.565 174.600 0.060 0.000 1.014 640 S CA 0.617 58.877 58.200 0.100 0.000 0.957 640 S CB -0.408 62.869 63.200 0.129 0.000 0.784 640 S HN 0.284 nan 8.310 nan 0.000 0.499 641 A N 0.588 123.423 122.820 0.025 0.000 2.178 641 A HA 0.580 4.900 4.320 -0.001 0.000 0.211 641 A C 0.454 178.055 177.584 0.027 0.000 1.157 641 A CA 0.123 52.177 52.037 0.028 0.000 0.780 641 A CB 0.108 19.122 19.000 0.022 0.000 0.828 641 A HN 0.415 nan 8.150 nan 0.000 0.476 642 V N -0.192 119.735 119.914 0.021 0.000 2.852 642 V HA 0.224 4.343 4.120 -0.001 0.000 0.300 642 V C -0.081 176.032 176.094 0.030 0.000 1.205 642 V CA -0.909 61.404 62.300 0.020 0.000 0.940 642 V CB 1.318 33.139 31.823 -0.005 0.000 1.047 642 V HN 0.228 nan 8.190 nan 0.000 0.429 643 T N 2.981 117.574 114.554 0.064 0.000 2.724 643 T HA 0.076 4.426 4.350 -0.001 0.000 0.324 643 T C 0.695 175.454 174.700 0.099 0.000 1.071 643 T CA 0.539 62.702 62.100 0.104 0.000 1.061 643 T CB 0.443 69.383 68.868 0.120 0.000 0.990 643 T HN 0.614 nan 8.240 nan 0.000 0.543 644 F N 2.426 122.333 119.950 -0.071 0.000 2.219 644 F HA 0.196 4.722 4.527 -0.001 0.000 0.294 644 F C -1.143 174.578 175.800 -0.130 0.000 1.086 644 F CA -0.056 57.852 58.000 -0.154 0.000 1.330 644 F CB -1.355 37.571 39.000 -0.124 0.000 1.047 644 F HN 0.425 nan 8.300 nan 0.000 0.495 645 P HA -0.187 nan 4.420 nan 0.000 0.214 645 P C 1.254 178.511 177.300 -0.071 0.000 1.163 645 P CA 2.215 65.195 63.100 -0.199 0.000 0.889 645 P CB -0.066 31.641 31.700 0.011 0.000 0.790 646 D N -0.693 119.765 120.400 0.097 0.000 2.190 646 D HA -0.163 4.477 4.640 -0.001 0.000 0.200 646 D C 1.824 178.124 176.300 -0.001 0.000 0.992 646 D CA 1.012 55.095 54.000 0.138 0.000 0.854 646 D CB -0.401 40.464 40.800 0.108 0.000 0.936 646 D HN 0.268 nan 8.370 nan 0.000 0.462 647 I N -0.463 120.033 120.570 -0.125 0.000 2.876 647 I HA -0.096 4.074 4.170 -0.001 0.000 0.264 647 I C 1.956 177.979 176.117 -0.158 0.000 1.204 647 I CA 0.497 61.698 61.300 -0.166 0.000 1.485 647 I CB 0.094 37.904 38.000 -0.317 0.000 1.103 647 I HN -0.140 nan 8.210 nan 0.000 0.446 648 I N 0.875 121.272 120.570 -0.289 0.000 2.333 648 I HA -0.180 3.989 4.170 -0.001 0.000 0.246 648 I C 2.717 178.809 176.117 -0.042 0.000 1.106 648 I CA 0.788 61.928 61.300 -0.268 0.000 1.411 648 I CB -0.378 37.244 38.000 -0.630 0.000 1.082 648 I HN 0.224 nan 8.210 nan 0.000 0.420 649 R N 1.355 121.881 120.500 0.043 0.000 2.083 649 R HA -0.130 4.209 4.340 -0.001 0.000 0.237 649 R C 0.762 177.048 176.300 -0.022 0.000 1.137 649 R CA 1.563 57.691 56.100 0.046 0.000 0.951 649 R CB 0.008 30.227 30.300 -0.135 0.000 0.851 649 R HN 0.353 nan 8.270 nan 0.000 0.434 650 N N 0.306 119.000 118.700 -0.010 0.000 2.453 650 N HA -0.057 4.683 4.740 -0.001 0.000 0.270 650 N C -0.386 175.165 175.510 0.069 0.000 1.195 650 N CA -0.044 53.007 53.050 0.000 0.000 0.902 650 N CB 0.574 39.051 38.487 -0.017 0.000 1.186 650 N HN 0.259 nan 8.380 nan 0.000 0.510 651 Y N 2.565 122.839 120.300 -0.043 0.000 2.542 651 Y HA 0.030 4.579 4.550 -0.001 0.000 0.326 651 Y C 1.365 177.265 175.900 -0.000 0.000 1.218 651 Y CA -0.121 57.975 58.100 -0.008 0.000 1.277 651 Y CB -0.398 38.043 38.460 -0.032 0.000 1.064 651 Y HN -0.031 nan 8.280 nan 0.000 0.499 652 K N 0.617 120.913 120.400 -0.172 0.000 2.347 652 K HA -0.324 3.996 4.320 -0.001 0.000 0.209 652 K C 1.208 177.612 176.600 -0.327 0.000 1.020 652 K CA 1.772 57.935 56.287 -0.206 0.000 0.924 652 K CB -1.426 31.016 32.500 -0.096 0.000 0.863 652 K HN 0.395 nan 8.250 nan 0.000 0.495 653 V N 0.094 119.697 119.914 -0.518 0.000 5.882 653 V HA -0.095 4.025 4.120 -0.001 0.000 0.179 653 V C 0.463 176.513 176.094 -0.074 0.000 0.704 653 V CA 2.388 64.459 62.300 -0.382 0.000 0.539 653 V CB -2.443 28.987 31.823 -0.656 0.000 0.377 653 V HN 0.752 nan 8.190 nan 0.000 0.413 654 M N 1.022 120.601 119.600 -0.035 0.000 3.844 654 M HA 0.475 4.955 4.480 -0.001 0.000 0.160 654 M C 0.503 176.807 176.300 0.006 0.000 1.495 654 M CA 1.572 56.875 55.300 0.005 0.000 1.034 654 M CB -2.081 30.538 32.600 0.033 0.000 1.329 654 M HN 3.041 nan 8.290 nan 0.000 0.375 655 A N 3.690 126.506 122.820 -0.007 0.000 2.409 655 A HA 0.970 5.290 4.320 -0.001 0.000 0.300 655 A C 0.597 178.180 177.584 -0.001 0.000 1.273 655 A CA 0.143 52.179 52.037 -0.002 0.000 0.774 655 A CB 0.354 19.345 19.000 -0.016 0.000 1.144 655 A HN 2.798 nan 8.150 nan 0.000 0.472 656 A N 2.225 125.048 122.820 0.005 0.000 2.526 656 A HA 0.538 4.857 4.320 -0.001 0.000 0.267 656 A C 0.724 178.309 177.584 0.001 0.000 1.095 656 A CA 1.363 53.402 52.037 0.003 0.000 0.775 656 A CB -0.697 18.306 19.000 0.005 0.000 1.036 656 A HN 1.888 nan 8.150 nan 0.000 0.510 657 E N 0.447 120.646 120.200 -0.002 0.000 1.277 657 E HA 0.648 4.998 4.350 -0.001 0.000 0.145 657 E C -0.110 176.487 176.600 -0.005 0.000 2.087 657 E CA 0.417 56.815 56.400 -0.004 0.000 1.237 657 E CB -0.310 29.386 29.700 -0.006 0.000 1.453 657 E HN 2.135 nan 8.360 nan 0.000 0.752 658 N N -2.175 116.521 118.700 -0.008 0.000 3.698 658 N HA 0.601 5.340 4.740 -0.001 0.000 0.125 658 N C 0.344 175.848 175.510 -0.011 0.000 0.925 658 N CA 1.301 54.346 53.050 -0.008 0.000 3.056 658 N CB -1.011 37.472 38.487 -0.006 0.000 1.281 658 N HN 2.364 nan 8.380 nan 0.000 0.799 659 I N -2.810 117.752 120.570 -0.013 0.000 3.135 659 I HA 0.823 4.992 4.170 -0.001 0.000 0.253 659 I C -1.083 175.022 176.117 -0.020 0.000 1.015 659 I CA 1.307 62.598 61.300 -0.016 0.000 1.549 659 I CB -0.537 37.455 38.000 -0.013 0.000 2.177 659 I HN 1.209 nan 8.210 nan 0.000 0.329 660 P HA 1.092 nan 4.420 nan 0.000 0.307 660 P C -0.991 176.298 177.300 -0.018 0.000 1.385 660 P CA 0.802 63.889 63.100 -0.021 0.000 1.108 660 P CB 1.723 33.412 31.700 -0.018 0.000 1.505 661 E N -1.712 118.475 120.200 -0.022 0.000 2.389 661 E HA 0.686 5.035 4.350 -0.001 0.000 0.281 661 E C -0.370 176.214 176.600 -0.026 0.000 1.072 661 E CA 0.444 56.833 56.400 -0.018 0.000 0.845 661 E CB 0.256 29.942 29.700 -0.023 0.000 1.239 661 E HN 1.335 nan 8.360 nan 0.000 0.434 662 N N 0.305 118.997 118.700 -0.012 0.000 3.628 662 N HA 0.761 5.500 4.740 -0.001 0.000 0.321 662 N C -2.503 173.009 175.510 0.002 0.000 1.482 662 N CA -0.027 53.010 53.050 -0.021 0.000 0.637 662 N CB 0.341 38.822 38.487 -0.010 0.000 3.164 662 N HN 0.713 nan 8.380 nan 0.000 0.551 663 P HA 0.212 nan 4.420 nan 0.000 0.257 663 P C -0.981 176.274 177.300 -0.075 0.000 1.359 663 P CA 0.775 63.926 63.100 0.085 0.000 1.239 663 P CB -0.837 31.052 31.700 0.314 0.000 1.549 664 L N 1.749 122.898 121.223 -0.123 0.000 2.194 664 L HA 0.534 4.873 4.340 -0.001 0.000 0.248 664 L C 0.770 177.405 176.870 -0.391 0.000 1.071 664 L CA -1.237 53.397 54.840 -0.345 0.000 0.901 664 L CB 1.083 43.034 42.059 -0.181 0.000 1.497 664 L HN 0.031 nan 8.230 nan 0.000 0.442 665 K N -1.982 118.079 120.400 -0.565 0.000 3.287 665 K HA -0.085 4.235 4.320 -0.001 0.000 0.268 665 K C -1.200 175.265 176.600 -0.224 0.000 1.339 665 K CA 0.724 56.829 56.287 -0.303 0.000 0.800 665 K CB -1.762 30.651 32.500 -0.147 0.000 1.744 665 K HN 0.833 nan 8.250 nan 0.000 0.526 666 Y N -0.473 119.632 120.300 -0.324 0.000 2.168 666 Y HA 0.386 4.936 4.550 -0.001 0.000 0.313 666 Y C 0.034 175.924 175.900 -0.017 0.000 1.290 666 Y CA -0.641 57.385 58.100 -0.124 0.000 1.410 666 Y CB -0.309 38.122 38.460 -0.049 0.000 1.306 666 Y HN 0.033 nan 8.280 nan 0.000 0.384 667 L N 2.619 123.874 121.223 0.055 0.000 1.994 667 L HA 0.104 4.444 4.340 -0.001 0.000 0.208 667 L C 1.140 178.244 176.870 0.390 0.000 1.071 667 L CA 3.136 58.140 54.840 0.272 0.000 0.745 667 L CB -0.209 41.930 42.059 0.132 0.000 0.892 667 L HN 1.055 nan 8.230 nan 0.000 0.431 668 Y N -0.670 119.689 120.300 0.098 0.000 3.217 668 Y HA 0.415 4.965 4.550 -0.001 0.000 0.253 668 Y C -2.468 173.465 175.900 0.056 0.000 2.287 668 Y CA -1.755 56.399 58.100 0.090 0.000 0.933 668 Y CB -0.215 38.281 38.460 0.060 0.000 1.794 668 Y HN -0.135 nan 8.280 nan 0.000 0.475 669 P HA 0.149 nan 4.420 nan 0.000 0.273 669 P C -1.309 175.859 177.300 -0.220 0.000 1.428 669 P CA 0.379 63.205 63.100 -0.456 0.000 0.995 669 P CB -0.452 30.912 31.700 -0.561 0.000 1.286 670 N N 1.399 120.032 118.700 -0.113 0.000 2.708 670 N HA -0.166 4.573 4.740 -0.001 0.000 0.255 670 N C -0.546 174.905 175.510 -0.098 0.000 1.046 670 N CA 0.723 53.718 53.050 -0.091 0.000 0.715 670 N CB -1.629 36.803 38.487 -0.093 0.000 0.895 670 N HN 0.566 nan 8.380 nan 0.000 0.545 671 I N 0.450 120.981 120.570 -0.066 0.000 2.378 671 I HA 0.132 4.302 4.170 -0.001 0.000 0.291 671 I C -0.083 176.009 176.117 -0.042 0.000 0.992 671 I CA -0.745 60.518 61.300 -0.061 0.000 1.154 671 I CB 0.917 38.905 38.000 -0.019 0.000 1.315 671 I HN 0.115 nan 8.210 nan 0.000 0.448 672 D N 8.090 128.457 120.400 -0.054 0.000 2.389 672 D HA -0.052 4.588 4.640 -0.001 0.000 0.263 672 D C 1.004 177.334 176.300 0.050 0.000 1.255 672 D CA 0.237 54.227 54.000 -0.017 0.000 0.914 672 D CB 1.026 41.816 40.800 -0.017 0.000 1.116 672 D HN 0.544 nan 8.370 nan 0.000 0.502 673 K N 3.234 123.634 120.400 0.000 0.000 2.017 673 K HA -0.333 3.986 4.320 -0.001 0.000 0.229 673 K C 0.942 177.705 176.600 0.271 0.000 1.004 673 K CA 2.162 58.500 56.287 0.085 0.000 0.991 673 K CB 0.050 32.520 32.500 -0.050 0.000 0.773 673 K HN 0.336 nan 8.250 nan 0.000 0.453 674 D N -0.702 119.833 120.400 0.225 0.000 2.092 674 D HA -0.211 4.429 4.640 -0.001 0.000 0.193 674 D C 2.030 178.459 176.300 0.215 0.000 0.994 674 D CA 1.378 55.556 54.000 0.297 0.000 0.828 674 D CB -0.706 40.233 40.800 0.231 0.000 0.963 674 D HN 0.469 nan 8.370 nan 0.000 0.450 675 H N 1.188 120.291 119.070 0.056 0.000 2.426 675 H HA -0.113 4.442 4.556 -0.001 0.000 0.298 675 H C 1.772 177.066 175.328 -0.056 0.000 1.107 675 H CA 1.693 57.738 56.048 -0.005 0.000 1.298 675 H CB 0.095 29.846 29.762 -0.018 0.000 1.377 675 H HN 0.072 nan 8.280 nan 0.000 0.519 676 A N 0.617 123.491 122.820 0.089 0.000 1.828 676 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 676 A C 1.647 179.064 177.584 -0.278 0.000 1.203 676 A CA 1.412 53.359 52.037 -0.150 0.000 0.614 676 A CB -1.069 17.753 19.000 -0.296 0.000 0.844 676 A HN 0.328 nan 8.150 nan 0.000 0.445 677 F N 0.362 120.306 119.950 -0.010 0.000 2.798 677 F HA 0.322 4.848 4.527 -0.001 0.000 0.291 677 F C 1.966 177.439 175.800 -0.545 0.000 1.174 677 F CA -0.036 57.865 58.000 -0.165 0.000 1.392 677 F CB -0.287 38.612 39.000 -0.168 0.000 0.966 677 F HN 0.258 nan 8.300 nan 0.000 0.509 678 G N 0.776 109.455 108.800 -0.202 0.000 2.422 678 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 678 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 678 G C 1.766 176.510 174.900 -0.261 0.000 1.146 678 G CA 0.524 45.543 45.100 -0.134 0.000 0.769 678 G HN 0.308 nan 8.290 nan 0.000 0.547 679 K N -0.279 119.795 120.400 -0.544 0.000 2.026 679 K HA -0.095 4.224 4.320 -0.001 0.000 0.208 679 K C 2.180 178.570 176.600 -0.350 0.000 1.048 679 K CA 1.412 57.386 56.287 -0.522 0.000 0.929 679 K CB -0.372 31.669 32.500 -0.765 0.000 0.713 679 K HN 0.443 nan 8.250 nan 0.000 0.439 680 Y N 0.020 120.274 120.300 -0.076 0.000 2.497 680 Y HA -0.069 4.481 4.550 -0.001 0.000 0.292 680 Y C 0.654 176.550 175.900 -0.007 0.000 1.137 680 Y CA -0.245 57.828 58.100 -0.045 0.000 1.285 680 Y CB -1.202 37.248 38.460 -0.016 0.000 0.991 680 Y HN -0.067 nan 8.280 nan 0.000 0.556 681 Y N 0.466 120.859 120.300 0.155 0.000 2.511 681 Y HA 0.281 4.831 4.550 -0.001 0.000 0.347 681 Y C 1.588 177.529 175.900 0.068 0.000 1.257 681 Y CA -0.323 57.832 58.100 0.091 0.000 1.469 681 Y CB 0.213 38.704 38.460 0.052 0.000 1.353 681 Y HN 0.095 nan 8.280 nan 0.000 0.617 682 S N 1.011 116.856 115.700 0.242 0.000 2.767 682 S HA 0.463 4.932 4.470 -0.001 0.000 0.253 682 S C 1.133 175.787 174.600 0.090 0.000 1.082 682 S CA -0.120 58.161 58.200 0.134 0.000 1.148 682 S CB -0.797 62.464 63.200 0.101 0.000 0.808 682 S HN 0.722 nan 8.310 nan 0.000 0.466 703 K N 2.970 123.370 120.400 0.001 0.000 2.569 703 K HA 0.099 4.418 4.320 -0.001 0.000 0.280 703 K C 0.632 177.232 176.600 0.000 0.000 0.984 703 K CA 0.824 57.112 56.287 0.001 0.000 1.064 703 K CB 0.489 32.989 32.500 0.000 0.000 0.866 703 K HN 0.642 nan 8.250 nan 0.000 0.492 704 T N -0.283 114.272 114.554 0.002 0.000 2.724 704 T HA 0.572 4.921 4.350 -0.001 0.000 0.274 704 T C -0.762 173.940 174.700 0.003 0.000 0.984 704 T CA -1.063 61.039 62.100 0.002 0.000 1.024 704 T CB 1.862 70.734 68.868 0.006 0.000 1.320 704 T HN 0.559 nan 8.240 nan 0.000 0.555 705 E N -0.362 119.841 120.200 0.005 0.000 2.375 705 E HA 0.454 4.804 4.350 -0.001 0.000 0.280 705 E C -1.308 175.300 176.600 0.012 0.000 0.972 705 E CA -0.783 55.620 56.400 0.006 0.000 0.782 705 E CB 2.342 32.040 29.700 -0.002 0.000 1.229 705 E HN 0.485 nan 8.360 nan 0.000 0.439 706 L N 2.484 123.717 121.223 0.017 0.000 2.379 706 L HA 0.624 4.963 4.340 -0.001 0.000 0.269 706 L C -0.294 176.591 176.870 0.026 0.000 1.084 706 L CA -0.493 54.362 54.840 0.024 0.000 0.802 706 L CB 0.645 42.719 42.059 0.026 0.000 1.175 706 L HN 0.412 nan 8.230 nan 0.000 0.448 707 I N 0.419 121.015 120.570 0.043 0.000 2.841 707 I HA 0.152 4.322 4.170 -0.001 0.000 0.298 707 I C -0.579 175.605 176.117 0.112 0.000 1.304 707 I CA -0.300 61.036 61.300 0.060 0.000 1.019 707 I CB 2.482 40.511 38.000 0.048 0.000 1.282 707 I HN 0.454 nan 8.210 nan 0.000 0.432 708 S N 3.057 118.861 115.700 0.173 0.000 2.586 708 S HA 0.777 5.247 4.470 -0.001 0.000 0.274 708 S C -0.754 174.064 174.600 0.364 0.000 1.281 708 S CA -0.290 58.082 58.200 0.287 0.000 1.035 708 S CB 0.926 64.349 63.200 0.372 0.000 0.962 708 S HN 0.341 nan 8.310 nan 0.000 0.512 709 V N 3.191 123.301 119.914 0.326 0.000 3.049 709 V HA 0.457 4.577 4.120 -0.001 0.000 0.309 709 V C 0.261 176.526 176.094 0.286 0.000 1.148 709 V CA -0.776 61.663 62.300 0.231 0.000 0.990 709 V CB 2.131 34.016 31.823 0.103 0.000 1.039 709 V HN 1.116 nan 8.190 nan 0.000 0.430 710 S N 0.000 115.839 115.700 0.231 0.000 2.498 710 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 710 S CA 0.000 58.362 58.200 0.270 0.000 1.107 710 S CB 0.000 63.326 63.200 0.210 0.000 0.593 710 S HN 0.000 nan 8.310 nan 0.000 0.517