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 1e8x_1_A DATA FIRST_RESID 142 DATA SEQUENCE AASEETLAFQ RQLNALIGYD VTDVSNVHDD ELEFTRRRLV TPRMAEVAGR DATA SEQUENCE DPKLYAMHPW VTSKPLPEYL LKKITNNCVF IVIHRSTTSQ TIKVSADDTP DATA SEQUENCE GTILQSFFTK MAXXXXXXXX XXXXNERDFV LRVCGRDEYL VGETPIKNFQ DATA SEQUENCE WVRQCLKNGE EIHLVLDTPP DPALDEVRKE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXCDRKF RVKIRGIDIP VLPRTADLTV FVEANIQYGQ DATA SEQUENCE QVLCQRRTSP KPFTEEVLWN VWLEFSIKIK DLPKGALLNL QIYCXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQLL YYVNLLLIDH RFLLRHGEYV LHMWQLSGXX DATA SEQUENCE XXXXXFNADK LTSATNPDKE NSMSISILLD NXXHPIALXX XXXXXXXXXX DATA SEQUENCE XXXXEMPNQL RKQLEAIIAT DPLNPLTAED KELLWHFRYE SLKDPKAYPK DATA SEQUENCE LFSSVKWGQQ EIVAKTYQLL AKREVWDQSA LDVGLTMQLL DCNFSDENVR DATA SEQUENCE AIAVQKLESL EDDDVLHYLL QLVQAVKFEP YHDSALARFL LKRGLRNKRI DATA SEQUENCE GHFLFWFLRS EIAQSRHYQQ RFAVILEAYL RGCGTAMLHD FTQQVQVIDM DATA SEQUENCE LQKVTIDIKS LSAEKYDVSS QVISQLKQKL ENLQNLNLPQ SFRVPYDPGL DATA SEQUENCE KAGALVIEKC KVMASKKKPL WLEFKCADPT ALSNETIGII FKHGDDLRQD DATA SEQUENCE MLILQILRIM ESIWETESLD LCLLPYGCIS TGDKIGMIEI VKDATTIAKI DATA SEQUENCE QQSTVGNTGA FKDEVLSHWL KEKCPIEEKF QAAVERFVYS CAGYCVATFV DATA SEQUENCE LGIGDRHNDN IMISETGNLF HIDFGHXXXX XXXXXXXXXX XVPFVLTPDF DATA SEQUENCE LFVMGTSGKK TSLHFQKFQD VCVKAYLALR HHTNLLIILF SMMLMTGMPQ DATA SEQUENCE LTSKEDIEYI RDALTVGKSE EDAKKYFLDQ IEVCRDKGWT VQFNWFLHLV DATA SEQUENCE L 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 142 A HA 0.000 nan 4.320 nan 0.000 0.244 142 A C 0.000 177.591 177.584 0.012 0.000 1.274 142 A CA 0.000 52.043 52.037 0.010 0.000 0.836 142 A CB 0.000 19.005 19.000 0.009 0.000 0.831 143 A N 0.183 123.010 122.820 0.013 0.000 2.534 143 A HA 0.657 4.975 4.320 -0.003 0.000 0.300 143 A C -0.275 177.319 177.584 0.016 0.000 1.054 143 A CA 0.235 52.282 52.037 0.016 0.000 0.858 143 A CB 0.355 19.367 19.000 0.020 0.000 1.333 143 A HN 1.922 nan 8.150 nan 0.000 0.391 144 S N 2.114 117.823 115.700 0.016 0.000 2.673 144 S HA 0.005 4.473 4.470 -0.003 0.000 0.308 144 S C 1.427 176.039 174.600 0.019 0.000 1.246 144 S CA 0.105 58.312 58.200 0.013 0.000 1.077 144 S CB 0.757 63.961 63.200 0.007 0.000 0.814 144 S HN 0.767 nan 8.310 nan 0.000 0.503 145 E N 2.935 123.144 120.200 0.016 0.000 2.086 145 E HA -0.236 4.112 4.350 -0.003 0.000 0.205 145 E C 1.825 178.443 176.600 0.030 0.000 1.027 145 E CA 1.531 57.943 56.400 0.020 0.000 0.830 145 E CB -0.097 29.612 29.700 0.014 0.000 0.751 145 E HN 0.672 nan 8.360 nan 0.000 0.456 146 E N -0.309 119.905 120.200 0.022 0.000 2.033 146 E HA -0.169 4.179 4.350 -0.003 0.000 0.199 146 E C 2.155 178.792 176.600 0.062 0.000 1.011 146 E CA 2.067 58.483 56.400 0.027 0.000 0.815 146 E CB -0.689 29.008 29.700 -0.005 0.000 0.755 146 E HN 0.429 nan 8.360 nan 0.000 0.451 147 T N 2.217 116.805 114.554 0.056 0.000 2.597 147 T HA -0.199 4.150 4.350 -0.003 0.000 0.267 147 T C 2.287 177.074 174.700 0.145 0.000 1.053 147 T CA 1.735 63.901 62.100 0.111 0.000 1.165 147 T CB -0.742 68.171 68.868 0.076 0.000 0.863 147 T HN 0.097 nan 8.240 nan 0.000 0.427 148 L N 1.351 122.624 121.223 0.084 0.000 2.051 148 L HA -0.192 4.146 4.340 -0.003 0.000 0.214 148 L C 3.145 180.059 176.870 0.074 0.000 1.076 148 L CA 1.570 56.448 54.840 0.063 0.000 0.758 148 L CB -0.888 41.194 42.059 0.038 0.000 0.890 148 L HN 0.332 nan 8.230 nan 0.000 0.433 149 A N -0.710 122.163 122.820 0.089 0.000 1.969 149 A HA -0.206 4.112 4.320 -0.003 0.000 0.218 149 A C 2.108 179.785 177.584 0.155 0.000 1.169 149 A CA 1.166 53.260 52.037 0.094 0.000 0.635 149 A CB -0.639 18.410 19.000 0.081 0.000 0.810 149 A HN 0.368 nan 8.150 nan 0.000 0.445 150 F N 0.811 120.763 119.950 0.003 0.000 2.000 150 F HA -0.177 4.349 4.527 -0.002 0.000 0.295 150 F C 2.351 178.155 175.800 0.007 0.000 1.159 150 F CA 2.208 60.212 58.000 0.005 0.000 1.171 150 F CB -1.059 37.941 39.000 0.001 0.000 0.971 150 F HN 0.319 nan 8.300 nan 0.000 0.479 151 Q N 0.955 120.694 119.800 -0.102 0.000 2.290 151 Q HA -0.281 4.057 4.340 -0.003 0.000 0.211 151 Q C 2.309 178.224 176.000 -0.141 0.000 0.991 151 Q CA 2.141 57.821 55.803 -0.205 0.000 0.893 151 Q CB -0.654 28.045 28.738 -0.065 0.000 0.913 151 Q HN 0.556 nan 8.270 nan 0.000 0.428 152 R N -0.412 120.052 120.500 -0.061 0.000 2.090 152 R HA -0.153 4.185 4.340 -0.003 0.000 0.228 152 R C 2.269 178.541 176.300 -0.046 0.000 1.110 152 R CA 1.545 57.622 56.100 -0.039 0.000 0.973 152 R CB -0.120 30.180 30.300 0.000 0.000 0.869 152 R HN 0.680 nan 8.270 nan 0.000 0.440 153 Q N -0.001 119.770 119.800 -0.047 0.000 2.096 153 Q HA -0.094 4.245 4.340 -0.003 0.000 0.197 153 Q C 2.177 178.129 176.000 -0.080 0.000 0.964 153 Q CA 0.854 56.642 55.803 -0.027 0.000 0.838 153 Q CB -0.400 28.361 28.738 0.038 0.000 0.906 153 Q HN 0.305 nan 8.270 nan 0.000 0.444 154 L N 1.494 122.591 121.223 -0.209 0.000 1.978 154 L HA -0.272 4.067 4.340 -0.003 0.000 0.218 154 L C 2.110 178.916 176.870 -0.105 0.000 1.075 154 L CA 1.702 56.408 54.840 -0.223 0.000 0.767 154 L CB -0.800 41.029 42.059 -0.384 0.000 0.890 154 L HN 0.350 nan 8.230 nan 0.000 0.434 155 N N 0.007 118.649 118.700 -0.097 0.000 2.258 155 N HA -0.184 4.554 4.740 -0.003 0.000 0.187 155 N C 1.694 177.188 175.510 -0.027 0.000 1.012 155 N CA 1.490 54.507 53.050 -0.054 0.000 0.870 155 N CB -0.410 38.035 38.487 -0.070 0.000 0.977 155 N HN 0.414 nan 8.380 nan 0.000 0.434 156 A N 0.889 123.695 122.820 -0.023 0.000 1.929 156 A HA 0.037 4.355 4.320 -0.003 0.000 0.216 156 A C 2.344 179.940 177.584 0.020 0.000 1.176 156 A CA 0.588 52.627 52.037 0.003 0.000 0.628 156 A CB -0.499 18.509 19.000 0.013 0.000 0.816 156 A HN 0.171 nan 8.150 nan 0.000 0.444 157 L N -0.133 121.104 121.223 0.023 0.000 2.005 157 L HA -0.170 4.168 4.340 -0.003 0.000 0.207 157 L C 2.418 179.286 176.870 -0.003 0.000 1.072 157 L CA 0.911 55.791 54.840 0.066 0.000 0.744 157 L CB -0.570 41.548 42.059 0.100 0.000 0.895 157 L HN 0.294 nan 8.230 nan 0.000 0.433 158 I N 0.215 120.767 120.570 -0.031 0.000 2.194 158 I HA -0.224 3.944 4.170 -0.003 0.000 0.246 158 I C 1.896 177.978 176.117 -0.059 0.000 1.093 158 I CA 1.749 63.004 61.300 -0.074 0.000 1.355 158 I CB -1.803 36.196 38.000 -0.002 0.000 1.046 158 I HN 0.548 nan 8.210 nan 0.000 0.413 159 G N -0.403 108.398 108.800 0.002 0.000 2.157 159 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.248 159 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.248 159 G C 0.101 175.078 174.900 0.128 0.000 0.979 159 G CA 0.384 45.506 45.100 0.038 0.000 0.650 159 G HN 0.465 nan 8.290 nan 0.000 0.529 160 Y N -0.009 120.268 120.300 -0.037 0.000 2.581 160 Y HA 0.550 5.098 4.550 -0.003 0.000 0.337 160 Y C -1.574 174.306 175.900 -0.033 0.000 1.108 160 Y CA -1.136 56.948 58.100 -0.026 0.000 1.033 160 Y CB 1.923 40.370 38.460 -0.020 0.000 1.318 160 Y HN 0.016 nan 8.280 nan 0.000 0.459 161 D N 3.650 123.642 120.400 -0.680 0.000 2.441 161 D HA 0.189 4.827 4.640 -0.003 0.000 0.221 161 D C 1.040 177.081 176.300 -0.431 0.000 1.156 161 D CA 0.106 53.833 54.000 -0.455 0.000 0.896 161 D CB 1.177 41.731 40.800 -0.410 0.000 1.028 161 D HN 0.530 nan 8.370 nan 0.000 0.509 162 V N 2.016 121.900 119.914 -0.050 0.000 2.626 162 V HA -0.158 3.960 4.120 -0.003 0.000 0.252 162 V C 2.207 178.312 176.094 0.019 0.000 1.067 162 V CA 1.841 64.204 62.300 0.104 0.000 1.081 162 V CB -1.621 30.260 31.823 0.097 0.000 0.686 162 V HN 0.608 nan 8.190 nan 0.000 0.468 163 T N -1.283 113.247 114.554 -0.040 0.000 2.803 163 T HA -0.182 4.166 4.350 -0.003 0.000 0.269 163 T C 0.566 175.245 174.700 -0.035 0.000 1.052 163 T CA 1.018 63.099 62.100 -0.032 0.000 1.136 163 T CB -1.081 67.762 68.868 -0.041 0.000 0.864 163 T HN 0.517 nan 8.240 nan 0.000 0.467 164 D N 1.884 122.239 120.400 -0.076 0.000 2.772 164 D HA 0.146 4.784 4.640 -0.003 0.000 0.227 164 D C 1.086 177.378 176.300 -0.013 0.000 1.114 164 D CA 0.676 54.636 54.000 -0.068 0.000 0.832 164 D CB 0.965 41.681 40.800 -0.139 0.000 1.154 164 D HN 0.401 nan 8.370 nan 0.000 0.514 165 V N 0.315 120.220 119.914 -0.015 0.000 3.477 165 V HA 0.019 4.137 4.120 -0.003 0.000 0.297 165 V C 1.622 177.710 176.094 -0.011 0.000 1.433 165 V CA 0.639 62.937 62.300 -0.004 0.000 1.052 165 V CB 0.229 32.054 31.823 0.003 0.000 0.895 165 V HN 0.451 nan 8.190 nan 0.000 0.438 166 S N 1.370 117.058 115.700 -0.021 0.000 2.370 166 S HA -0.158 4.310 4.470 -0.003 0.000 0.226 166 S C 1.249 175.831 174.600 -0.029 0.000 1.033 166 S CA 1.943 60.126 58.200 -0.029 0.000 1.011 166 S CB -0.807 62.368 63.200 -0.042 0.000 0.852 166 S HN 0.672 nan 8.310 nan 0.000 0.457 167 N N 1.182 119.870 118.700 -0.020 0.000 3.091 167 N HA 0.449 5.187 4.740 -0.003 0.000 0.255 167 N C -1.581 173.907 175.510 -0.037 0.000 1.204 167 N CA -0.390 52.644 53.050 -0.027 0.000 0.990 167 N CB 0.725 39.202 38.487 -0.017 0.000 1.260 167 N HN 0.241 nan 8.380 nan 0.000 0.502 168 V N 2.039 121.925 119.914 -0.047 0.000 2.882 168 V HA 0.211 4.329 4.120 -0.003 0.000 0.295 168 V C 0.428 176.489 176.094 -0.055 0.000 1.273 168 V CA -0.920 61.308 62.300 -0.119 0.000 0.949 168 V CB 1.467 33.242 31.823 -0.079 0.000 1.071 168 V HN 0.628 nan 8.190 nan 0.000 0.432 169 H N 0.745 119.872 119.070 0.095 0.000 2.551 169 H HA 0.431 4.985 4.556 -0.003 0.000 0.271 169 H C -0.331 175.080 175.328 0.139 0.000 0.984 169 H CA 0.435 56.556 56.048 0.123 0.000 1.164 169 H CB 0.865 30.751 29.762 0.206 0.000 1.437 169 H HN 0.846 nan 8.280 nan 0.000 0.550 170 D N -0.057 120.416 120.400 0.122 0.000 2.713 170 D HA -0.024 4.614 4.640 -0.003 0.000 0.306 170 D C -0.527 175.828 176.300 0.092 0.000 1.299 170 D CA -0.677 53.440 54.000 0.195 0.000 0.823 170 D CB 0.307 41.305 40.800 0.329 0.000 1.353 170 D HN 0.014 nan 8.370 nan 0.000 0.447 171 D N -0.908 119.576 120.400 0.140 0.000 2.706 171 D HA 0.052 4.690 4.640 -0.003 0.000 0.236 171 D C 0.465 176.747 176.300 -0.029 0.000 1.231 171 D CA -0.204 53.856 54.000 0.101 0.000 0.828 171 D CB 0.313 41.223 40.800 0.183 0.000 1.015 171 D HN 0.549 nan 8.370 nan 0.000 0.484 172 E N -0.166 119.917 120.200 -0.195 0.000 2.028 172 E HA -0.143 4.205 4.350 -0.003 0.000 0.191 172 E C 1.549 178.167 176.600 0.030 0.000 0.988 172 E CA 0.432 56.588 56.400 -0.406 0.000 0.799 172 E CB 0.219 29.824 29.700 -0.158 0.000 0.755 172 E HN 0.138 nan 8.360 nan 0.000 0.447 173 L N 1.665 122.910 121.223 0.037 0.000 1.956 173 L HA -0.237 4.101 4.340 -0.003 0.000 0.216 173 L C 2.383 179.273 176.870 0.032 0.000 1.073 173 L CA 1.798 56.622 54.840 -0.026 0.000 0.762 173 L CB -0.784 41.225 42.059 -0.084 0.000 0.889 173 L HN 0.129 nan 8.230 nan 0.000 0.433 174 E N -1.215 119.016 120.200 0.051 0.000 2.110 174 E HA -0.261 4.087 4.350 -0.003 0.000 0.193 174 E C 2.195 178.867 176.600 0.119 0.000 0.988 174 E CA 1.206 57.648 56.400 0.071 0.000 0.804 174 E CB -0.421 29.324 29.700 0.074 0.000 0.745 174 E HN 0.471 nan 8.360 nan 0.000 0.458 175 F N 1.766 121.709 119.950 -0.011 0.000 2.126 175 F HA -0.232 4.293 4.527 -0.003 0.000 0.299 175 F C 2.263 178.079 175.800 0.027 0.000 1.096 175 F CA 1.952 59.966 58.000 0.022 0.000 1.255 175 F CB -0.307 38.694 39.000 0.001 0.000 0.997 175 F HN -0.067 nan 8.300 nan 0.000 0.479 176 T N 0.500 115.175 114.554 0.201 0.000 2.701 176 T HA -0.187 4.161 4.350 -0.003 0.000 0.263 176 T C 2.008 176.701 174.700 -0.011 0.000 1.040 176 T CA 1.418 63.574 62.100 0.093 0.000 1.147 176 T CB -0.453 68.525 68.868 0.183 0.000 0.865 176 T HN 0.261 nan 8.240 nan 0.000 0.426 177 R N 0.901 121.406 120.500 0.009 0.000 2.211 177 R HA -0.059 4.279 4.340 -0.003 0.000 0.240 177 R C 2.474 178.757 176.300 -0.029 0.000 1.144 177 R CA 1.257 57.353 56.100 -0.006 0.000 0.992 177 R CB -0.059 30.243 30.300 0.004 0.000 0.869 177 R HN 0.250 nan 8.270 nan 0.000 0.462 178 R N -0.521 119.939 120.500 -0.066 0.000 2.156 178 R HA 0.094 4.433 4.340 -0.003 0.000 0.207 178 R C 2.103 178.308 176.300 -0.158 0.000 1.040 178 R CA 0.201 56.245 56.100 -0.094 0.000 1.013 178 R CB 0.163 30.411 30.300 -0.087 0.000 0.931 178 R HN 0.148 nan 8.270 nan 0.000 0.465 179 R N 0.470 120.809 120.500 -0.268 0.000 2.092 179 R HA -0.027 4.311 4.340 -0.003 0.000 0.231 179 R C 2.204 178.436 176.300 -0.112 0.000 1.119 179 R CA 0.897 56.838 56.100 -0.265 0.000 0.970 179 R CB -0.230 29.821 30.300 -0.414 0.000 0.864 179 R HN 0.259 nan 8.270 nan 0.000 0.440 180 L N 0.715 121.900 121.223 -0.064 0.000 2.191 180 L HA -0.148 4.190 4.340 -0.003 0.000 0.212 180 L C 2.374 179.236 176.870 -0.012 0.000 1.103 180 L CA 0.711 55.541 54.840 -0.015 0.000 0.769 180 L CB -0.562 41.503 42.059 0.010 0.000 0.908 180 L HN -0.008 nan 8.230 nan 0.000 0.438 181 V N -0.235 119.664 119.914 -0.024 0.000 2.317 181 V HA -0.367 3.752 4.120 -0.003 0.000 0.251 181 V C 2.523 178.610 176.094 -0.013 0.000 1.065 181 V CA 2.523 64.815 62.300 -0.014 0.000 1.049 181 V CB -1.013 30.799 31.823 -0.018 0.000 0.651 181 V HN 0.498 nan 8.190 nan 0.000 0.450 182 T N -0.024 114.518 114.554 -0.020 0.000 2.639 182 T HA -0.078 4.271 4.350 -0.003 0.000 0.261 182 T C 0.094 174.790 174.700 -0.006 0.000 1.053 182 T CA 1.973 64.065 62.100 -0.015 0.000 1.158 182 T CB -1.208 67.649 68.868 -0.018 0.000 0.863 182 T HN 0.430 nan 8.240 nan 0.000 0.413 183 P HA -0.096 nan 4.420 nan 0.000 0.217 183 P C 1.488 178.793 177.300 0.007 0.000 1.148 183 P CA 1.067 64.173 63.100 0.010 0.000 0.828 183 P CB -0.047 31.667 31.700 0.022 0.000 0.783 184 R N -0.147 120.356 120.500 0.006 0.000 2.062 184 R HA -0.052 4.286 4.340 -0.003 0.000 0.231 184 R C 2.071 178.362 176.300 -0.016 0.000 1.136 184 R CA 1.791 57.893 56.100 0.003 0.000 0.948 184 R CB -0.808 29.497 30.300 0.008 0.000 0.845 184 R HN 0.121 nan 8.270 nan 0.000 0.430 185 M N 0.348 119.939 119.600 -0.015 0.000 2.358 185 M HA -0.076 4.403 4.480 -0.003 0.000 0.264 185 M C 2.171 178.455 176.300 -0.026 0.000 1.064 185 M CA 1.484 56.770 55.300 -0.022 0.000 1.093 185 M CB -0.017 32.573 32.600 -0.016 0.000 1.401 185 M HN 0.363 nan 8.290 nan 0.000 0.440 186 A N -0.686 122.122 122.820 -0.019 0.000 2.123 186 A HA -0.053 4.265 4.320 -0.003 0.000 0.214 186 A C 2.062 179.630 177.584 -0.026 0.000 1.152 186 A CA 0.969 52.996 52.037 -0.017 0.000 0.728 186 A CB -0.168 18.828 19.000 -0.006 0.000 0.814 186 A HN 0.260 nan 8.150 nan 0.000 0.464 187 E N 0.004 120.184 120.200 -0.033 0.000 2.042 187 E HA -0.037 4.311 4.350 -0.003 0.000 0.189 187 E C 2.203 178.749 176.600 -0.091 0.000 0.974 187 E CA 1.101 57.471 56.400 -0.050 0.000 0.806 187 E CB -0.434 29.241 29.700 -0.041 0.000 0.769 187 E HN 0.245 nan 8.360 nan 0.000 0.451 188 V N 1.945 121.799 119.914 -0.101 0.000 2.250 188 V HA -0.335 3.783 4.120 -0.003 0.000 0.250 188 V C 2.543 178.569 176.094 -0.113 0.000 1.060 188 V CA 2.256 64.474 62.300 -0.137 0.000 1.030 188 V CB -1.093 30.667 31.823 -0.105 0.000 0.643 188 V HN 0.309 nan 8.190 nan 0.000 0.445 189 A N 0.322 123.098 122.820 -0.073 0.000 1.908 189 A HA -0.100 4.218 4.320 -0.003 0.000 0.218 189 A C 2.294 179.848 177.584 -0.050 0.000 1.181 189 A CA 2.002 54.007 52.037 -0.054 0.000 0.627 189 A CB -1.058 17.920 19.000 -0.037 0.000 0.818 189 A HN 0.597 nan 8.150 nan 0.000 0.445 190 G N -0.379 108.391 108.800 -0.050 0.000 2.880 190 G HA2 0.155 4.113 3.960 -0.003 0.000 0.209 190 G HA3 0.155 4.113 3.960 -0.003 0.000 0.209 190 G C 0.784 175.657 174.900 -0.044 0.000 1.157 190 G CA 0.195 45.272 45.100 -0.038 0.000 0.779 190 G HN 0.777 nan 8.290 nan 0.000 0.539 191 R N 0.484 120.936 120.500 -0.080 0.000 2.459 191 R HA 0.374 4.712 4.340 -0.003 0.000 0.281 191 R C -1.171 175.100 176.300 -0.049 0.000 1.050 191 R CA -0.757 55.293 56.100 -0.082 0.000 1.055 191 R CB 0.915 31.102 30.300 -0.188 0.000 1.045 191 R HN -0.072 nan 8.270 nan 0.000 0.495 192 D N 4.134 124.534 120.400 0.000 0.000 2.346 192 D HA 0.063 4.701 4.640 -0.003 0.000 0.260 192 D C -1.279 175.062 176.300 0.068 0.000 1.252 192 D CA -2.399 51.617 54.000 0.027 0.000 0.895 192 D CB 1.238 42.062 40.800 0.041 0.000 1.097 192 D HN 0.387 nan 8.370 nan 0.000 0.489 193 P HA -0.212 nan 4.420 nan 0.000 0.218 193 P C 0.795 178.159 177.300 0.107 0.000 1.146 193 P CA 1.250 64.410 63.100 0.101 0.000 0.813 193 P CB 0.406 32.134 31.700 0.046 0.000 0.778 194 K N -0.383 120.049 120.400 0.054 0.000 2.044 194 K HA 0.069 4.387 4.320 -0.003 0.000 0.204 194 K C 2.385 178.987 176.600 0.004 0.000 1.045 194 K CA 0.772 57.065 56.287 0.009 0.000 0.951 194 K CB -0.568 31.929 32.500 -0.006 0.000 0.738 194 K HN 0.185 nan 8.250 nan 0.000 0.443 195 L N 0.378 121.629 121.223 0.046 0.000 2.275 195 L HA -0.161 4.177 4.340 -0.003 0.000 0.215 195 L C 2.397 179.326 176.870 0.099 0.000 1.119 195 L CA 0.835 55.706 54.840 0.053 0.000 0.790 195 L CB -0.239 41.863 42.059 0.072 0.000 0.919 195 L HN 0.199 nan 8.230 nan 0.000 0.443 196 Y N 0.312 120.612 120.300 -0.000 0.000 2.337 196 Y HA -0.077 4.471 4.550 -0.004 0.000 0.293 196 Y C 2.348 178.261 175.900 0.022 0.000 1.123 196 Y CA 0.894 59.006 58.100 0.020 0.000 1.201 196 Y CB -0.103 38.362 38.460 0.009 0.000 1.011 196 Y HN 0.068 nan 8.280 nan 0.000 0.545 197 A N -0.098 122.663 122.820 -0.099 0.000 2.014 197 A HA -0.031 4.287 4.320 -0.003 0.000 0.218 197 A C 1.899 179.327 177.584 -0.261 0.000 1.163 197 A CA 1.483 53.392 52.037 -0.213 0.000 0.652 197 A CB -0.543 18.377 19.000 -0.133 0.000 0.808 197 A HN 0.522 nan 8.150 nan 0.000 0.449 198 M N 0.475 119.894 119.600 -0.301 0.000 2.356 198 M HA 0.097 4.575 4.480 -0.003 0.000 0.262 198 M C -0.037 175.949 176.300 -0.524 0.000 1.097 198 M CA -0.116 54.835 55.300 -0.581 0.000 0.991 198 M CB -0.074 32.132 32.600 -0.657 0.000 1.450 198 M HN 0.679 nan 8.290 nan 0.000 0.495 199 H N -0.677 118.330 119.070 -0.106 0.000 2.092 199 H HA -0.102 4.452 4.556 -0.003 0.000 0.328 199 H C -2.476 172.917 175.328 0.107 0.000 0.925 199 H CA -0.436 55.602 56.048 -0.017 0.000 1.084 199 H CB -2.064 27.654 29.762 -0.073 0.000 1.580 199 H HN 0.175 nan 8.280 nan 0.000 0.346 200 P HA -0.111 nan 4.420 nan 0.000 0.262 200 P C 0.140 177.646 177.300 0.344 0.000 1.182 200 P CA 0.253 63.511 63.100 0.264 0.000 0.761 200 P CB 0.292 32.149 31.700 0.262 0.000 0.795 201 W N 6.769 128.194 121.300 0.209 0.000 2.295 201 W HA 0.428 5.086 4.660 -0.003 0.000 0.333 201 W C -1.087 175.459 176.519 0.045 0.000 0.990 201 W CA -0.954 56.483 57.345 0.152 0.000 1.453 201 W CB 0.045 29.632 29.460 0.212 0.000 1.263 201 W HN 0.216 nan 8.180 nan 0.000 0.380 202 V N 2.943 122.998 119.914 0.235 0.000 3.158 202 V HA 0.927 5.045 4.120 -0.003 0.000 0.315 202 V C -0.804 175.299 176.094 0.014 0.000 1.148 202 V CA -0.835 61.401 62.300 -0.106 0.000 1.042 202 V CB 1.524 33.132 31.823 -0.357 0.000 1.101 202 V HN 0.352 nan 8.190 nan 0.000 0.448 203 T N -0.495 114.014 114.554 -0.074 0.000 2.923 203 T HA 0.507 4.855 4.350 -0.003 0.000 0.311 203 T C -0.032 174.650 174.700 -0.030 0.000 1.183 203 T CA 0.168 62.265 62.100 -0.004 0.000 1.020 203 T CB 1.912 70.787 68.868 0.011 0.000 1.165 203 T HN 0.930 nan 8.240 nan 0.000 0.482 204 S N 2.544 118.245 115.700 0.002 0.000 2.574 204 S HA 0.285 4.753 4.470 -0.003 0.000 0.242 204 S C 0.323 174.926 174.600 0.005 0.000 0.982 204 S CA -0.462 57.736 58.200 -0.005 0.000 0.977 204 S CB -0.030 63.174 63.200 0.005 0.000 0.814 204 S HN 0.530 nan 8.310 nan 0.000 0.464 205 K N 2.488 122.893 120.400 0.009 0.000 2.148 205 K HA 0.439 4.757 4.320 -0.003 0.000 0.239 205 K C -2.599 174.000 176.600 -0.002 0.000 1.018 205 K CA -1.975 54.319 56.287 0.012 0.000 0.923 205 K CB 0.110 32.626 32.500 0.025 0.000 1.117 205 K HN 0.035 nan 8.250 nan 0.000 0.477 206 P HA 0.195 nan 4.420 nan 0.000 0.284 206 P C -0.828 176.465 177.300 -0.012 0.000 1.258 206 P CA -0.495 62.601 63.100 -0.007 0.000 0.824 206 P CB 0.610 32.308 31.700 -0.002 0.000 1.038 207 L N 4.105 125.314 121.223 -0.023 0.000 2.530 207 L HA 0.182 4.520 4.340 -0.003 0.000 0.273 207 L C -1.389 175.469 176.870 -0.021 0.000 1.141 207 L CA -1.577 53.243 54.840 -0.034 0.000 0.905 207 L CB -0.553 41.475 42.059 -0.052 0.000 1.202 207 L HN 0.278 nan 8.230 nan 0.000 0.473 208 P HA -0.017 nan 4.420 nan 0.000 0.270 208 P C 0.336 177.645 177.300 0.016 0.000 1.227 208 P CA -0.205 62.906 63.100 0.018 0.000 0.788 208 P CB 0.886 32.614 31.700 0.045 0.000 0.926 209 E N 0.013 120.233 120.200 0.034 0.000 2.065 209 E HA -0.274 4.074 4.350 -0.003 0.000 0.201 209 E C 1.806 178.435 176.600 0.049 0.000 1.016 209 E CA 1.519 57.938 56.400 0.033 0.000 0.818 209 E CB -0.695 29.030 29.700 0.042 0.000 0.749 209 E HN 0.508 nan 8.360 nan 0.000 0.453 210 Y N 1.116 121.382 120.300 -0.057 0.000 2.228 210 Y HA -0.227 4.321 4.550 -0.003 0.000 0.285 210 Y C 1.777 177.628 175.900 -0.081 0.000 1.178 210 Y CA 1.354 59.406 58.100 -0.079 0.000 1.202 210 Y CB -0.132 38.270 38.460 -0.097 0.000 0.974 210 Y HN -0.018 nan 8.280 nan 0.000 0.527 211 L N -1.977 119.118 121.223 -0.213 0.000 2.221 211 L HA -0.059 4.279 4.340 -0.003 0.000 0.202 211 L C 2.182 178.933 176.870 -0.199 0.000 1.074 211 L CA 0.251 54.912 54.840 -0.298 0.000 0.795 211 L CB -0.507 41.432 42.059 -0.200 0.000 0.960 211 L HN 0.172 nan 8.230 nan 0.000 0.458 212 L N 0.932 122.085 121.223 -0.117 0.000 2.046 212 L HA -0.226 4.112 4.340 -0.003 0.000 0.208 212 L C 2.691 179.508 176.870 -0.089 0.000 1.077 212 L CA 1.792 56.579 54.840 -0.089 0.000 0.747 212 L CB -0.794 41.233 42.059 -0.052 0.000 0.896 212 L HN 0.224 nan 8.230 nan 0.000 0.432 213 K N 0.568 120.920 120.400 -0.080 0.000 2.103 213 K HA -0.272 4.046 4.320 -0.003 0.000 0.207 213 K C 1.826 178.373 176.600 -0.089 0.000 1.048 213 K CA 1.887 58.136 56.287 -0.063 0.000 0.930 213 K CB -0.513 31.967 32.500 -0.033 0.000 0.716 213 K HN 0.384 nan 8.250 nan 0.000 0.444 214 K N 1.015 121.329 120.400 -0.143 0.000 2.591 214 K HA 0.054 4.372 4.320 -0.003 0.000 0.197 214 K C 0.342 176.852 176.600 -0.150 0.000 1.026 214 K CA 0.099 56.293 56.287 -0.156 0.000 1.127 214 K CB -0.061 32.300 32.500 -0.231 0.000 0.871 214 K HN 0.304 nan 8.250 nan 0.000 0.507 215 I N 0.262 120.757 120.570 -0.124 0.000 3.426 215 I HA 0.049 4.217 4.170 -0.003 0.000 0.329 215 I C -0.129 175.938 176.117 -0.084 0.000 1.553 215 I CA -0.326 60.901 61.300 -0.123 0.000 1.019 215 I CB 1.222 39.149 38.000 -0.123 0.000 1.376 215 I HN -0.145 nan 8.210 nan 0.000 0.525 216 T N 1.658 116.174 114.554 -0.064 0.000 3.722 216 T HA 0.092 4.440 4.350 -0.003 0.000 0.247 216 T C 1.018 175.700 174.700 -0.030 0.000 1.004 216 T CA 0.448 62.525 62.100 -0.039 0.000 0.947 216 T CB -0.704 68.148 68.868 -0.026 0.000 1.114 216 T HN 0.447 nan 8.240 nan 0.000 0.633 217 N N 0.791 119.467 118.700 -0.041 0.000 2.118 217 N HA 0.075 4.813 4.740 -0.003 0.000 0.226 217 N C 0.289 175.783 175.510 -0.028 0.000 1.305 217 N CA -0.198 52.837 53.050 -0.025 0.000 0.890 217 N CB 0.428 38.903 38.487 -0.021 0.000 1.118 217 N HN 0.174 nan 8.380 nan 0.000 0.511 218 N N -0.750 117.926 118.700 -0.041 0.000 2.929 218 N HA -0.163 4.575 4.740 -0.003 0.000 0.234 218 N C -0.669 174.813 175.510 -0.046 0.000 0.908 218 N CA 1.594 54.623 53.050 -0.035 0.000 0.993 218 N CB -1.407 37.070 38.487 -0.017 0.000 1.075 218 N HN 0.427 nan 8.380 nan 0.000 0.603 219 C N -1.837 117.422 119.300 -0.067 0.000 3.308 219 C HA 0.918 5.376 4.460 -0.003 0.000 0.360 219 C C -0.084 174.786 174.990 -0.201 0.000 1.695 219 C CA -0.633 58.333 59.018 -0.087 0.000 1.366 219 C CB 1.926 29.649 27.740 -0.028 0.000 2.121 219 C HN 0.178 nan 8.230 nan 0.000 0.442 220 V N 1.021 120.784 119.914 -0.251 0.000 3.036 220 V HA 0.615 4.733 4.120 -0.003 0.000 0.288 220 V C -1.854 174.011 176.094 -0.381 0.000 1.407 220 V CA -0.519 61.474 62.300 -0.511 0.000 0.983 220 V CB 1.491 33.096 31.823 -0.363 0.000 1.128 220 V HN 0.821 nan 8.190 nan 0.000 0.439 221 F N 6.113 126.029 119.950 -0.056 0.000 2.440 221 F HA 0.895 5.420 4.527 -0.003 0.000 0.328 221 F C 0.113 175.859 175.800 -0.090 0.000 1.070 221 F CA -1.111 56.851 58.000 -0.064 0.000 1.011 221 F CB 1.232 40.198 39.000 -0.056 0.000 1.226 221 F HN 0.597 nan 8.300 nan 0.000 0.491 222 I N -0.832 119.799 120.570 0.102 0.000 2.571 222 I HA 0.614 4.782 4.170 -0.003 0.000 0.289 222 I C -1.485 174.592 176.117 -0.065 0.000 1.115 222 I CA -1.272 60.014 61.300 -0.022 0.000 1.045 222 I CB 1.916 39.873 38.000 -0.071 0.000 1.238 222 I HN 0.395 nan 8.210 nan 0.000 0.424 223 V N 6.813 126.647 119.914 -0.133 0.000 2.470 223 V HA 0.308 4.426 4.120 -0.003 0.000 0.276 223 V C 0.429 176.520 176.094 -0.005 0.000 1.040 223 V CA 0.058 62.288 62.300 -0.117 0.000 1.008 223 V CB 0.708 32.401 31.823 -0.215 0.000 0.990 223 V HN 0.523 nan 8.190 nan 0.000 0.477 224 I N 5.185 125.699 120.570 -0.094 0.000 2.354 224 I HA 0.390 4.558 4.170 -0.003 0.000 0.292 224 I C -0.541 175.571 176.117 -0.008 0.000 0.989 224 I CA -0.613 60.612 61.300 -0.124 0.000 1.188 224 I CB 1.154 38.800 38.000 -0.591 0.000 1.342 224 I HN 0.607 nan 8.210 nan 0.000 0.457 225 H N 5.282 124.293 119.070 -0.098 0.000 2.541 225 H HA 0.343 4.897 4.556 -0.003 0.000 0.316 225 H C 0.569 175.870 175.328 -0.045 0.000 1.043 225 H CA -0.597 55.431 56.048 -0.035 0.000 1.232 225 H CB 1.451 31.208 29.762 -0.008 0.000 1.406 225 H HN 0.481 nan 8.280 nan 0.000 0.469 226 R N 2.180 122.728 120.500 0.080 0.000 2.054 226 R HA 0.007 4.345 4.340 -0.003 0.000 0.223 226 R C 1.057 177.385 176.300 0.047 0.000 1.176 226 R CA 1.400 57.531 56.100 0.050 0.000 0.934 226 R CB 0.196 30.536 30.300 0.067 0.000 0.828 226 R HN 0.516 nan 8.270 nan 0.000 0.441 227 S N -2.004 113.727 115.700 0.052 0.000 3.906 227 S HA 0.135 4.603 4.470 -0.003 0.000 0.188 227 S C 1.053 175.688 174.600 0.059 0.000 1.054 227 S CA 0.122 58.350 58.200 0.046 0.000 1.503 227 S CB 0.803 64.023 63.200 0.032 0.000 1.144 227 S HN 0.375 nan 8.310 nan 0.000 0.833 228 T N 2.346 116.925 114.554 0.042 0.000 3.148 228 T HA 0.219 4.568 4.350 -0.003 0.000 0.253 228 T C 0.354 175.070 174.700 0.025 0.000 1.134 228 T CA 0.427 62.552 62.100 0.042 0.000 1.051 228 T CB -0.349 68.535 68.868 0.027 0.000 0.959 228 T HN 0.560 nan 8.240 nan 0.000 0.525 229 T N 2.701 117.266 114.554 0.019 0.000 2.788 229 T HA 0.481 4.829 4.350 -0.003 0.000 0.287 229 T C 0.016 174.676 174.700 -0.067 0.000 1.007 229 T CA -0.630 61.467 62.100 -0.006 0.000 1.005 229 T CB 0.784 69.663 68.868 0.018 0.000 1.012 229 T HN 0.334 nan 8.240 nan 0.000 0.530 230 S N 0.297 115.938 115.700 -0.098 0.000 2.608 230 S HA 0.558 5.026 4.470 -0.003 0.000 0.285 230 S C -1.590 172.945 174.600 -0.107 0.000 1.108 230 S CA -1.178 56.885 58.200 -0.229 0.000 0.858 230 S CB 1.765 64.675 63.200 -0.482 0.000 1.077 230 S HN 0.756 nan 8.310 nan 0.000 0.450 231 Q N 0.352 120.105 119.800 -0.078 0.000 2.352 231 Q HA 0.620 4.958 4.340 -0.003 0.000 0.270 231 Q C -1.539 174.458 176.000 -0.005 0.000 1.006 231 Q CA -0.179 55.627 55.803 0.006 0.000 0.880 231 Q CB 2.150 30.968 28.738 0.133 0.000 1.392 231 Q HN 0.792 nan 8.270 nan 0.000 0.401 232 T N 3.454 117.996 114.554 -0.019 0.000 2.909 232 T HA 0.701 5.049 4.350 -0.003 0.000 0.286 232 T C -0.669 174.044 174.700 0.022 0.000 1.002 232 T CA -0.111 61.971 62.100 -0.030 0.000 1.074 232 T CB 0.343 69.154 68.868 -0.095 0.000 0.984 232 T HN 0.434 nan 8.240 nan 0.000 0.495 233 I N 2.615 123.216 120.570 0.051 0.000 2.529 233 I HA 0.263 4.431 4.170 -0.003 0.000 0.284 233 I C -0.048 176.151 176.117 0.136 0.000 1.088 233 I CA -0.645 60.710 61.300 0.092 0.000 1.062 233 I CB 1.713 39.791 38.000 0.130 0.000 1.218 233 I HN 0.372 nan 8.210 nan 0.000 0.442 234 K N 4.050 124.546 120.400 0.159 0.000 2.401 234 K HA 0.578 4.896 4.320 -0.003 0.000 0.278 234 K C -0.677 175.997 176.600 0.124 0.000 1.018 234 K CA -0.237 56.198 56.287 0.248 0.000 0.981 234 K CB 1.458 34.110 32.500 0.253 0.000 0.933 234 K HN 0.333 nan 8.250 nan 0.000 0.477 235 V N 1.885 121.845 119.914 0.076 0.000 2.971 235 V HA 0.163 4.281 4.120 -0.003 0.000 0.309 235 V C -0.584 175.503 176.094 -0.011 0.000 1.130 235 V CA -0.701 61.614 62.300 0.025 0.000 0.964 235 V CB 2.494 34.321 31.823 0.006 0.000 1.029 235 V HN 1.011 nan 8.190 nan 0.000 0.427 236 S N 3.447 119.144 115.700 -0.006 0.000 2.603 236 S HA 0.536 5.005 4.470 -0.003 0.000 0.268 236 S C 1.231 175.815 174.600 -0.026 0.000 1.317 236 S CA 0.162 58.351 58.200 -0.019 0.000 1.012 236 S CB 1.599 64.796 63.200 -0.004 0.000 0.926 236 S HN 1.418 nan 8.310 nan 0.000 0.539 237 A N 0.437 123.236 122.820 -0.035 0.000 2.125 237 A HA -0.016 4.302 4.320 -0.003 0.000 0.219 237 A C 1.247 178.830 177.584 -0.002 0.000 1.156 237 A CA 1.454 53.473 52.037 -0.030 0.000 0.671 237 A CB -0.821 18.154 19.000 -0.042 0.000 0.794 237 A HN 0.856 nan 8.150 nan 0.000 0.459 238 D N 0.302 120.703 120.400 0.003 0.000 2.350 238 D HA 0.061 4.699 4.640 -0.003 0.000 0.213 238 D C -0.358 175.959 176.300 0.028 0.000 1.031 238 D CA -0.020 53.989 54.000 0.016 0.000 0.861 238 D CB 0.087 40.894 40.800 0.011 0.000 0.926 238 D HN 0.320 nan 8.370 nan 0.000 0.520 239 D N 0.540 120.955 120.400 0.025 0.000 2.423 239 D HA 0.027 4.665 4.640 -0.003 0.000 0.238 239 D C 0.325 176.655 176.300 0.050 0.000 1.142 239 D CA 0.680 54.698 54.000 0.030 0.000 0.884 239 D CB 0.912 41.721 40.800 0.016 0.000 1.199 239 D HN -0.118 nan 8.370 nan 0.000 0.438 240 T N 1.648 116.233 114.554 0.052 0.000 2.907 240 T HA 0.230 4.578 4.350 -0.003 0.000 0.284 240 T C -1.505 173.223 174.700 0.048 0.000 1.004 240 T CA -1.836 60.309 62.100 0.076 0.000 1.063 240 T CB 1.595 70.505 68.868 0.070 0.000 0.992 240 T HN 0.068 nan 8.240 nan 0.000 0.483 241 P HA -0.117 nan 4.420 nan 0.000 0.217 241 P C 1.392 178.689 177.300 -0.005 0.000 1.148 241 P CA 0.939 64.030 63.100 -0.014 0.000 0.834 241 P CB 0.082 31.778 31.700 -0.007 0.000 0.783 242 G N -1.246 107.570 108.800 0.028 0.000 2.404 242 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.214 242 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.214 242 G C 1.327 176.244 174.900 0.028 0.000 1.189 242 G CA 1.097 46.217 45.100 0.033 0.000 0.789 242 G HN 0.165 nan 8.290 nan 0.000 0.533 243 T N 1.835 116.408 114.554 0.031 0.000 3.052 243 T HA -0.011 4.337 4.350 -0.003 0.000 0.270 243 T C 2.017 176.730 174.700 0.022 0.000 1.147 243 T CA 0.406 62.525 62.100 0.032 0.000 1.089 243 T CB 0.013 68.901 68.868 0.033 0.000 0.875 243 T HN 0.124 nan 8.240 nan 0.000 0.541 244 I N 0.077 120.647 120.570 -0.000 0.000 2.731 244 I HA 0.133 4.301 4.170 -0.003 0.000 0.260 244 I C 2.019 178.116 176.117 -0.034 0.000 1.138 244 I CA 0.868 62.154 61.300 -0.024 0.000 1.461 244 I CB -0.642 37.315 38.000 -0.071 0.000 1.128 244 I HN 0.306 nan 8.210 nan 0.000 0.438 245 L N -0.097 121.089 121.223 -0.062 0.000 2.168 245 L HA -0.020 4.318 4.340 -0.003 0.000 0.203 245 L C 2.457 179.287 176.870 -0.067 0.000 1.078 245 L CA 0.579 55.325 54.840 -0.157 0.000 0.780 245 L CB -0.648 41.303 42.059 -0.180 0.000 0.939 245 L HN 0.213 nan 8.230 nan 0.000 0.451 246 Q N -0.009 119.815 119.800 0.040 0.000 2.368 246 Q HA -0.216 4.122 4.340 -0.003 0.000 0.210 246 Q C 2.102 178.163 176.000 0.102 0.000 0.982 246 Q CA 1.713 57.581 55.803 0.108 0.000 0.884 246 Q CB 0.128 28.918 28.738 0.086 0.000 0.933 246 Q HN 0.429 nan 8.270 nan 0.000 0.460 247 S N -1.028 114.718 115.700 0.076 0.000 2.506 247 S HA -0.032 4.436 4.470 -0.003 0.000 0.230 247 S C 1.421 176.083 174.600 0.103 0.000 1.066 247 S CA -0.089 58.159 58.200 0.080 0.000 0.940 247 S CB -0.384 62.857 63.200 0.068 0.000 0.818 247 S HN 0.540 nan 8.310 nan 0.000 0.518 248 F N 1.680 121.581 119.950 -0.082 0.000 2.216 248 F HA 0.140 4.665 4.527 -0.004 0.000 0.300 248 F C 1.343 177.153 175.800 0.016 0.000 1.085 248 F CA 1.075 59.014 58.000 -0.102 0.000 1.326 248 F CB -0.365 38.487 39.000 -0.246 0.000 1.027 248 F HN 0.268 nan 8.300 nan 0.000 0.497 249 F N 0.480 120.379 119.950 -0.085 0.000 2.456 249 F HA -0.017 4.509 4.527 -0.003 0.000 0.298 249 F C 2.723 178.432 175.800 -0.152 0.000 1.104 249 F CA 1.230 59.125 58.000 -0.177 0.000 1.435 249 F CB -1.575 37.417 39.000 -0.013 0.000 1.078 249 F HN 0.088 nan 8.300 nan 0.000 0.546 250 T N -2.951 111.658 114.554 0.092 0.000 3.055 250 T HA -0.101 4.247 4.350 -0.003 0.000 0.265 250 T C 1.954 176.640 174.700 -0.022 0.000 1.111 250 T CA 0.821 62.943 62.100 0.035 0.000 1.118 250 T CB -0.184 68.710 68.868 0.044 0.000 0.909 250 T HN 0.215 nan 8.240 nan 0.000 0.501 251 K N -0.538 119.818 120.400 -0.073 0.000 2.243 251 K HA 0.141 4.459 4.320 -0.003 0.000 0.201 251 K C 1.657 178.175 176.600 -0.136 0.000 1.051 251 K CA 0.615 56.841 56.287 -0.101 0.000 0.970 251 K CB -0.003 32.427 32.500 -0.117 0.000 0.755 251 K HN 0.224 nan 8.250 nan 0.000 0.465 252 M N 0.129 119.615 119.600 -0.190 0.000 2.749 252 M HA 0.310 4.788 4.480 -0.003 0.000 0.240 252 M C 0.429 176.663 176.300 -0.110 0.000 1.285 252 M CA 1.058 56.257 55.300 -0.167 0.000 1.267 252 M CB -0.278 32.179 32.600 -0.238 0.000 1.184 252 M HN 0.144 nan 8.290 nan 0.000 0.526 267 E N 0.707 120.925 120.200 0.030 0.000 2.147 267 E HA -0.198 4.150 4.350 -0.003 0.000 0.199 267 E C 0.199 176.867 176.600 0.114 0.000 1.005 267 E CA 1.375 57.788 56.400 0.022 0.000 0.810 267 E CB 0.092 29.783 29.700 -0.014 0.000 0.736 267 E HN 0.499 nan 8.360 nan 0.000 0.460 268 R N 1.555 122.199 120.500 0.240 0.000 3.171 268 R HA 0.142 4.480 4.340 -0.003 0.000 0.241 268 R C -0.805 175.666 176.300 0.285 0.000 1.421 268 R CA -0.020 56.410 56.100 0.551 0.000 1.444 268 R CB 0.005 30.671 30.300 0.610 0.000 1.247 268 R HN -0.112 nan 8.270 nan 0.000 0.636 269 D N 2.054 122.442 120.400 -0.020 0.000 3.139 269 D HA 0.249 4.887 4.640 -0.003 0.000 0.268 269 D C -0.910 174.942 176.300 -0.746 0.000 1.322 269 D CA -0.270 53.516 54.000 -0.356 0.000 0.940 269 D CB -0.345 40.204 40.800 -0.419 0.000 1.050 269 D HN 0.256 nan 8.370 nan 0.000 0.503 270 F N -0.478 119.552 119.950 0.134 0.000 3.117 270 F HA 0.647 5.172 4.527 -0.003 0.000 0.345 270 F C -0.269 175.571 175.800 0.066 0.000 1.278 270 F CA -1.111 56.954 58.000 0.108 0.000 1.035 270 F CB 0.962 40.054 39.000 0.153 0.000 1.531 270 F HN -0.220 nan 8.300 nan 0.000 0.515 271 V N 0.855 120.938 119.914 0.282 0.000 3.234 271 V HA 0.437 4.555 4.120 -0.003 0.000 0.280 271 V C -1.973 174.168 176.094 0.078 0.000 1.580 271 V CA -0.952 61.436 62.300 0.146 0.000 1.032 271 V CB 2.320 34.232 31.823 0.149 0.000 1.203 271 V HN 0.582 nan 8.190 nan 0.000 0.459 272 L N 5.105 126.327 121.223 -0.002 0.000 2.260 272 L HA 0.653 4.991 4.340 -0.003 0.000 0.289 272 L C 0.196 176.982 176.870 -0.140 0.000 1.057 272 L CA -0.135 54.643 54.840 -0.103 0.000 0.811 272 L CB 1.123 43.080 42.059 -0.170 0.000 1.184 272 L HN 0.645 nan 8.230 nan 0.000 0.429 273 R N 2.192 122.549 120.500 -0.239 0.000 2.873 273 R HA 0.682 5.020 4.340 -0.003 0.000 0.264 273 R C -1.216 174.834 176.300 -0.417 0.000 1.026 273 R CA -0.742 55.076 56.100 -0.470 0.000 1.002 273 R CB 2.094 32.007 30.300 -0.645 0.000 1.174 273 R HN 0.337 nan 8.270 nan 0.000 0.488 274 V N 2.235 121.834 119.914 -0.525 0.000 2.432 274 V HA 0.147 4.265 4.120 -0.003 0.000 0.271 274 V C 0.315 176.142 176.094 -0.444 0.000 1.046 274 V CA -0.875 61.103 62.300 -0.537 0.000 0.945 274 V CB 0.918 32.166 31.823 -0.959 0.000 0.992 274 V HN 0.804 nan 8.190 nan 0.000 0.471 275 C N 5.394 124.502 119.300 -0.321 0.000 2.271 275 C HA 0.282 4.740 4.460 -0.003 0.000 0.397 275 C C 1.695 176.526 174.990 -0.264 0.000 1.533 275 C CA 1.391 60.239 59.018 -0.284 0.000 1.433 275 C CB -1.588 25.972 27.740 -0.301 0.000 2.511 275 C HN 1.463 nan 8.230 nan 0.000 0.610 276 G N 4.317 112.976 108.800 -0.235 0.000 2.198 276 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.260 276 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.260 276 G C -0.046 174.716 174.900 -0.230 0.000 1.025 276 G CA 0.598 45.580 45.100 -0.197 0.000 0.769 276 G HN 0.839 nan 8.290 nan 0.000 0.507 277 R N -1.315 119.001 120.500 -0.306 0.000 2.799 277 R HA 0.442 4.780 4.340 -0.003 0.000 0.270 277 R C -1.440 174.658 176.300 -0.336 0.000 1.010 277 R CA -0.859 55.045 56.100 -0.327 0.000 0.916 277 R CB 1.172 31.189 30.300 -0.472 0.000 1.228 277 R HN 0.077 nan 8.270 nan 0.000 0.469 278 D N 0.988 121.246 120.400 -0.237 0.000 2.973 278 D HA 0.133 4.771 4.640 -0.003 0.000 0.263 278 D C -1.218 175.037 176.300 -0.075 0.000 1.266 278 D CA 0.061 53.970 54.000 -0.152 0.000 0.975 278 D CB 0.438 41.229 40.800 -0.014 0.000 1.032 278 D HN 0.181 nan 8.370 nan 0.000 0.510 279 E N 0.943 120.932 120.200 -0.352 0.000 2.260 279 E HA 0.296 4.644 4.350 -0.003 0.000 0.266 279 E C -1.683 174.685 176.600 -0.387 0.000 0.887 279 E CA -0.703 55.576 56.400 -0.201 0.000 0.777 279 E CB 0.564 30.131 29.700 -0.223 0.000 1.205 279 E HN 0.107 nan 8.360 nan 0.000 0.414 280 Y N 3.048 123.229 120.300 -0.198 0.000 2.393 280 Y HA 0.457 5.005 4.550 -0.003 0.000 0.341 280 Y C -0.478 175.357 175.900 -0.109 0.000 0.988 280 Y CA -1.156 56.840 58.100 -0.173 0.000 1.078 280 Y CB 1.143 39.494 38.460 -0.182 0.000 1.203 280 Y HN 0.374 nan 8.280 nan 0.000 0.453 281 L N 5.006 126.164 121.223 -0.109 0.000 2.315 281 L HA 0.466 4.805 4.340 -0.003 0.000 0.278 281 L C -0.480 176.297 176.870 -0.155 0.000 1.088 281 L CA -0.430 54.096 54.840 -0.523 0.000 0.899 281 L CB -0.174 41.391 42.059 -0.823 0.000 1.277 281 L HN 0.462 nan 8.230 nan 0.000 0.431 282 V N -0.122 119.902 119.914 0.183 0.000 2.925 282 V HA 1.087 5.205 4.120 -0.003 0.000 0.311 282 V C 0.187 176.448 176.094 0.279 0.000 1.104 282 V CA -0.467 61.943 62.300 0.184 0.000 0.954 282 V CB 1.329 33.207 31.823 0.091 0.000 1.022 282 V HN 0.828 nan 8.190 nan 0.000 0.427 283 G N 1.854 110.767 108.800 0.188 0.000 2.497 283 G HA2 0.058 4.016 3.960 -0.003 0.000 0.686 283 G HA3 0.058 4.016 3.960 -0.003 0.000 0.686 283 G C -0.765 174.223 174.900 0.147 0.000 1.288 283 G CA -0.610 44.579 45.100 0.148 0.000 0.899 283 G HN 0.971 nan 8.290 nan 0.000 0.608 284 E N 1.019 121.274 120.200 0.092 0.000 1.858 284 E HA 0.398 4.746 4.350 -0.003 0.000 0.278 284 E C 0.210 176.850 176.600 0.066 0.000 1.172 284 E CA 0.520 56.966 56.400 0.077 0.000 1.127 284 E CB 0.060 29.791 29.700 0.050 0.000 1.084 284 E HN 0.538 nan 8.360 nan 0.000 0.455 285 T N 2.127 116.749 114.554 0.114 0.000 2.956 285 T HA 0.354 4.702 4.350 -0.003 0.000 0.312 285 T C -2.712 172.094 174.700 0.177 0.000 1.151 285 T CA -1.560 60.577 62.100 0.062 0.000 1.024 285 T CB 2.197 70.966 68.868 -0.164 0.000 1.140 285 T HN -0.017 nan 8.240 nan 0.000 0.473 286 P HA 0.164 nan 4.420 nan 0.000 0.271 286 P C 1.074 178.516 177.300 0.236 0.000 1.220 286 P CA -0.508 62.666 63.100 0.123 0.000 0.768 286 P CB 0.164 31.895 31.700 0.052 0.000 0.848 287 I N 3.125 123.842 120.570 0.245 0.000 2.623 287 I HA -0.277 3.892 4.170 -0.003 0.000 0.261 287 I C 1.534 177.792 176.117 0.235 0.000 1.204 287 I CA 1.515 62.990 61.300 0.291 0.000 1.444 287 I CB -1.436 36.594 38.000 0.051 0.000 1.094 287 I HN 0.321 nan 8.210 nan 0.000 0.451 288 K N 0.162 120.631 120.400 0.115 0.000 2.418 288 K HA 0.045 4.363 4.320 -0.003 0.000 0.195 288 K C 0.840 177.457 176.600 0.028 0.000 1.035 288 K CA 0.854 57.163 56.287 0.037 0.000 1.003 288 K CB -0.368 32.127 32.500 -0.008 0.000 0.793 288 K HN 0.242 nan 8.250 nan 0.000 0.494 289 N N 0.234 118.960 118.700 0.043 0.000 2.268 289 N HA 0.169 4.907 4.740 -0.003 0.000 0.204 289 N C -1.204 174.197 175.510 -0.182 0.000 1.124 289 N CA -0.081 52.925 53.050 -0.074 0.000 0.838 289 N CB 0.129 38.546 38.487 -0.117 0.000 0.994 289 N HN 0.066 nan 8.380 nan 0.000 0.489 290 F N 0.776 120.703 119.950 -0.038 0.000 2.404 290 F HA 0.255 4.780 4.527 -0.003 0.000 0.339 290 F C 1.769 177.487 175.800 -0.137 0.000 1.105 290 F CA -0.593 57.385 58.000 -0.036 0.000 1.087 290 F CB 1.417 40.428 39.000 0.019 0.000 1.143 290 F HN -0.123 nan 8.300 nan 0.000 0.491 291 Q N 3.047 122.759 119.800 -0.146 0.000 2.084 291 Q HA -0.248 4.090 4.340 -0.003 0.000 0.202 291 Q C 2.224 178.062 176.000 -0.270 0.000 0.978 291 Q CA 1.516 57.038 55.803 -0.468 0.000 0.844 291 Q CB -0.445 27.425 28.738 -1.445 0.000 0.898 291 Q HN 0.876 nan 8.270 nan 0.000 0.426 292 W N 1.051 122.218 121.300 -0.222 0.000 2.317 292 W HA -0.227 4.432 4.660 -0.003 0.000 0.318 292 W C 1.829 178.286 176.519 -0.103 0.000 1.227 292 W CA 1.592 58.858 57.345 -0.132 0.000 1.269 292 W CB -0.105 29.326 29.460 -0.048 0.000 1.155 292 W HN -0.044 nan 8.180 nan 0.000 0.484 293 V N 1.832 121.720 119.914 -0.042 0.000 2.252 293 V HA -0.359 3.759 4.120 -0.003 0.000 0.249 293 V C 2.584 178.539 176.094 -0.232 0.000 1.056 293 V CA 2.439 64.662 62.300 -0.128 0.000 1.022 293 V CB -1.023 30.804 31.823 0.006 0.000 0.641 293 V HN 0.194 nan 8.190 nan 0.000 0.445 294 R N -0.497 119.884 120.500 -0.197 0.000 2.127 294 R HA -0.218 4.120 4.340 -0.003 0.000 0.238 294 R C 2.347 178.486 176.300 -0.268 0.000 1.134 294 R CA 1.669 57.643 56.100 -0.210 0.000 0.975 294 R CB -0.343 29.853 30.300 -0.173 0.000 0.865 294 R HN 0.602 nan 8.270 nan 0.000 0.447 295 Q N -0.002 119.582 119.800 -0.361 0.000 2.137 295 Q HA -0.103 4.235 4.340 -0.003 0.000 0.198 295 Q C 2.182 177.925 176.000 -0.428 0.000 0.960 295 Q CA 1.097 56.666 55.803 -0.389 0.000 0.847 295 Q CB 0.110 28.549 28.738 -0.499 0.000 0.915 295 Q HN 0.365 nan 8.270 nan 0.000 0.448 296 C N 0.333 119.305 119.300 -0.547 0.000 2.429 296 C HA -0.123 4.335 4.460 -0.003 0.000 0.277 296 C C 2.530 177.354 174.990 -0.276 0.000 1.262 296 C CA 0.495 59.257 59.018 -0.427 0.000 1.733 296 C CB -1.050 26.442 27.740 -0.412 0.000 2.010 296 C HN 0.513 nan 8.230 nan 0.000 0.483 297 L N 0.594 121.652 121.223 -0.275 0.000 1.989 297 L HA -0.210 4.128 4.340 -0.003 0.000 0.211 297 L C 2.685 179.385 176.870 -0.284 0.000 1.071 297 L CA 1.693 56.377 54.840 -0.260 0.000 0.749 297 L CB -0.806 41.092 42.059 -0.269 0.000 0.890 297 L HN 0.380 nan 8.230 nan 0.000 0.431 298 K N 0.242 120.473 120.400 -0.281 0.000 2.057 298 K HA -0.145 4.173 4.320 -0.003 0.000 0.207 298 K C 1.149 177.690 176.600 -0.098 0.000 1.049 298 K CA 1.517 57.665 56.287 -0.231 0.000 0.931 298 K CB -0.212 32.255 32.500 -0.056 0.000 0.714 298 K HN 0.264 nan 8.250 nan 0.000 0.440 299 N N 0.075 118.705 118.700 -0.116 0.000 2.375 299 N HA 0.068 4.806 4.740 -0.003 0.000 0.220 299 N C -0.178 175.290 175.510 -0.070 0.000 1.170 299 N CA 0.335 53.341 53.050 -0.073 0.000 0.833 299 N CB 0.662 39.093 38.487 -0.093 0.000 1.069 299 N HN 0.250 nan 8.380 nan 0.000 0.479 300 G N 0.653 109.398 108.800 -0.092 0.000 2.424 300 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.290 300 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.290 300 G C -0.282 174.595 174.900 -0.039 0.000 0.912 300 G CA 0.526 45.583 45.100 -0.071 0.000 1.142 300 G HN 0.402 nan 8.290 nan 0.000 0.501 301 E N -0.378 119.787 120.200 -0.059 0.000 2.277 301 E HA 0.372 4.720 4.350 -0.003 0.000 0.266 301 E C 0.155 176.757 176.600 0.003 0.000 0.901 301 E CA -0.908 55.487 56.400 -0.007 0.000 0.782 301 E CB 1.433 31.124 29.700 -0.015 0.000 1.228 301 E HN 0.553 nan 8.360 nan 0.000 0.424 302 E N 0.902 121.154 120.200 0.088 0.000 2.409 302 E HA 0.133 4.482 4.350 -0.003 0.000 0.257 302 E C -0.262 176.361 176.600 0.039 0.000 1.150 302 E CA 0.150 56.574 56.400 0.040 0.000 0.942 302 E CB 0.562 30.266 29.700 0.007 0.000 0.979 302 E HN 0.311 nan 8.360 nan 0.000 0.447 303 I N 2.376 122.908 120.570 -0.064 0.000 2.479 303 I HA 0.082 4.250 4.170 -0.003 0.000 0.279 303 I C -0.355 175.749 176.117 -0.023 0.000 1.102 303 I CA -0.329 60.985 61.300 0.023 0.000 1.196 303 I CB -0.002 37.991 38.000 -0.012 0.000 1.427 303 I HN 0.306 nan 8.210 nan 0.000 0.503 304 H N 6.567 125.706 119.070 0.116 0.000 3.015 304 H HA 0.371 4.925 4.556 -0.003 0.000 0.268 304 H C -0.128 175.154 175.328 -0.077 0.000 1.113 304 H CA 0.163 56.239 56.048 0.047 0.000 1.479 304 H CB 0.817 30.562 29.762 -0.030 0.000 1.493 304 H HN 0.405 nan 8.280 nan 0.000 0.486 305 L N 2.566 123.784 121.223 -0.009 0.000 2.298 305 L HA 0.614 4.952 4.340 -0.003 0.000 0.268 305 L C 0.012 176.813 176.870 -0.115 0.000 1.010 305 L CA -1.109 53.661 54.840 -0.116 0.000 0.812 305 L CB 2.105 44.075 42.059 -0.148 0.000 1.331 305 L HN 0.247 nan 8.230 nan 0.000 0.450 306 V N 1.158 120.977 119.914 -0.158 0.000 2.888 306 V HA 0.435 4.554 4.120 -0.003 0.000 0.309 306 V C -1.162 174.866 176.094 -0.109 0.000 1.114 306 V CA -0.611 61.622 62.300 -0.112 0.000 0.940 306 V CB 2.361 34.106 31.823 -0.129 0.000 1.021 306 V HN 0.414 nan 8.190 nan 0.000 0.426 307 L N 6.747 127.920 121.223 -0.083 0.000 2.290 307 L HA 0.654 4.992 4.340 -0.003 0.000 0.284 307 L C -0.175 176.715 176.870 0.034 0.000 1.078 307 L CA 0.532 55.335 54.840 -0.061 0.000 0.815 307 L CB 0.944 42.917 42.059 -0.145 0.000 1.162 307 L HN 0.889 nan 8.230 nan 0.000 0.435 308 D N 0.658 121.146 120.400 0.147 0.000 2.639 308 D HA 0.198 4.836 4.640 -0.003 0.000 0.271 308 D C -0.891 175.582 176.300 0.289 0.000 1.254 308 D CA -0.645 53.486 54.000 0.218 0.000 0.810 308 D CB 0.858 41.718 40.800 0.101 0.000 1.351 308 D HN 0.200 nan 8.370 nan 0.000 0.427 309 T N 1.407 116.096 114.554 0.224 0.000 2.884 309 T HA 0.426 4.774 4.350 -0.003 0.000 0.298 309 T C -2.272 172.484 174.700 0.093 0.000 0.998 309 T CA -0.539 61.631 62.100 0.116 0.000 1.124 309 T CB 0.644 69.538 68.868 0.043 0.000 0.931 309 T HN 0.161 nan 8.240 nan 0.000 0.531 310 P HA 0.213 nan 4.420 nan 0.000 0.268 310 P C -2.290 174.972 177.300 -0.064 0.000 1.205 310 P CA -1.005 62.075 63.100 -0.032 0.000 0.771 310 P CB -0.293 31.373 31.700 -0.057 0.000 0.858 311 P HA 0.032 nan 4.420 nan 0.000 0.269 311 P C -0.682 176.565 177.300 -0.088 0.000 1.217 311 P CA 0.170 63.207 63.100 -0.106 0.000 0.783 311 P CB 0.291 31.885 31.700 -0.176 0.000 0.898 312 D N 1.722 122.086 120.400 -0.060 0.000 2.347 312 D HA 0.173 4.811 4.640 -0.003 0.000 0.235 312 D C -1.726 174.549 176.300 -0.042 0.000 1.149 312 D CA -2.175 51.797 54.000 -0.048 0.000 0.850 312 D CB 0.456 41.233 40.800 -0.037 0.000 1.061 312 D HN 0.074 nan 8.370 nan 0.000 0.487 313 P HA -0.149 nan 4.420 nan 0.000 0.220 313 P C 0.807 178.108 177.300 0.002 0.000 1.144 313 P CA 1.051 64.148 63.100 -0.005 0.000 0.800 313 P CB 0.177 31.879 31.700 0.004 0.000 0.772 314 A N -1.101 121.710 122.820 -0.014 0.000 2.172 314 A HA -0.094 4.224 4.320 -0.003 0.000 0.216 314 A C 1.886 179.458 177.584 -0.021 0.000 1.154 314 A CA 0.974 53.000 52.037 -0.017 0.000 0.701 314 A CB -1.324 17.661 19.000 -0.024 0.000 0.789 314 A HN 0.196 nan 8.150 nan 0.000 0.465 315 L N -0.894 120.316 121.223 -0.023 0.000 2.418 315 L HA -0.015 4.323 4.340 -0.003 0.000 0.218 315 L C 1.017 177.878 176.870 -0.015 0.000 1.125 315 L CA 0.554 55.376 54.840 -0.029 0.000 0.835 315 L CB -0.223 41.812 42.059 -0.040 0.000 0.953 315 L HN 0.217 nan 8.230 nan 0.000 0.454 316 D N -0.259 120.148 120.400 0.012 0.000 2.354 316 D HA -0.003 4.635 4.640 -0.003 0.000 0.209 316 D C 0.466 176.795 176.300 0.048 0.000 1.015 316 D CA 0.130 54.168 54.000 0.062 0.000 0.867 316 D CB 0.128 41.034 40.800 0.177 0.000 0.933 316 D HN 0.343 nan 8.370 nan 0.000 0.520 317 E N 1.193 121.400 120.200 0.011 0.000 2.708 317 E HA -0.013 4.335 4.350 -0.003 0.000 0.260 317 E C -0.187 176.398 176.600 -0.025 0.000 0.937 317 E CA 0.113 56.505 56.400 -0.013 0.000 0.953 317 E CB 1.286 30.969 29.700 -0.029 0.000 0.915 317 E HN -0.109 nan 8.360 nan 0.000 0.487 318 V N 5.283 125.175 119.914 -0.036 0.000 2.546 318 V HA 0.143 4.261 4.120 -0.003 0.000 0.284 318 V C 0.467 176.510 176.094 -0.084 0.000 1.050 318 V CA -0.344 61.930 62.300 -0.044 0.000 0.981 318 V CB 1.248 33.047 31.823 -0.039 0.000 0.990 318 V HN 0.692 nan 8.190 nan 0.000 0.474 319 R N 4.052 124.467 120.500 -0.143 0.000 2.802 319 R HA -0.002 4.336 4.340 -0.003 0.000 0.264 319 R C -0.106 176.085 176.300 -0.181 0.000 0.996 319 R CA 0.145 56.090 56.100 -0.259 0.000 1.123 319 R CB 0.257 30.182 30.300 -0.625 0.000 0.996 319 R HN 0.740 nan 8.270 nan 0.000 0.444 320 K N 3.815 124.110 120.400 -0.174 0.000 2.402 320 K HA -0.007 4.311 4.320 -0.003 0.000 0.285 320 K C -0.359 176.192 176.600 -0.081 0.000 1.054 320 K CA 0.301 56.524 56.287 -0.106 0.000 1.001 320 K CB 0.393 32.839 32.500 -0.090 0.000 0.946 320 K HN 0.587 nan 8.250 nan 0.000 0.473 358 D N -0.464 119.957 120.400 0.035 0.000 2.301 358 D HA 0.214 4.852 4.640 -0.003 0.000 0.532 358 D C 0.066 176.380 176.300 0.024 0.000 0.978 358 D CA -0.011 54.004 54.000 0.024 0.000 1.078 358 D CB 0.120 40.929 40.800 0.015 0.000 1.478 358 D HN 0.478 nan 8.370 nan 0.000 0.425 359 R N 1.342 121.857 120.500 0.025 0.000 2.649 359 R HA 0.386 4.724 4.340 -0.003 0.000 0.270 359 R C -0.173 176.155 176.300 0.047 0.000 1.105 359 R CA -0.112 55.999 56.100 0.019 0.000 1.193 359 R CB 0.449 30.747 30.300 -0.003 0.000 1.120 359 R HN -0.156 nan 8.270 nan 0.000 0.561 360 K N 1.018 121.446 120.400 0.047 0.000 2.230 360 K HA 0.032 4.350 4.320 -0.003 0.000 0.253 360 K C -0.242 176.443 176.600 0.142 0.000 1.008 360 K CA 0.034 56.380 56.287 0.098 0.000 0.910 360 K CB 0.197 32.747 32.500 0.084 0.000 0.994 360 K HN 0.411 nan 8.250 nan 0.000 0.495 361 F N 2.023 122.025 119.950 0.086 0.000 2.384 361 F HA 0.268 4.793 4.527 -0.003 0.000 0.338 361 F C 0.044 175.996 175.800 0.254 0.000 1.103 361 F CA -0.267 57.791 58.000 0.098 0.000 1.157 361 F CB 0.737 39.730 39.000 -0.011 0.000 1.167 361 F HN 0.509 nan 8.300 nan 0.000 0.529 362 R N 4.364 124.346 120.500 -0.864 0.000 2.680 362 R HA 0.790 5.128 4.340 -0.003 0.000 0.269 362 R C -2.444 173.574 176.300 -0.470 0.000 1.026 362 R CA -1.148 54.715 56.100 -0.395 0.000 0.889 362 R CB 1.716 31.973 30.300 -0.073 0.000 1.241 362 R HN 0.630 nan 8.270 nan 0.000 0.463 363 V N 1.147 121.091 119.914 0.050 0.000 2.760 363 V HA 0.506 4.624 4.120 -0.003 0.000 0.309 363 V C -1.245 174.899 176.094 0.083 0.000 1.077 363 V CA -0.867 61.498 62.300 0.108 0.000 0.910 363 V CB 2.102 34.015 31.823 0.150 0.000 1.008 363 V HN 0.870 nan 8.190 nan 0.000 0.424 364 K N 6.605 126.847 120.400 -0.263 0.000 2.248 364 K HA 0.505 4.823 4.320 -0.003 0.000 0.281 364 K C -0.842 175.563 176.600 -0.325 0.000 1.054 364 K CA -0.682 55.186 56.287 -0.698 0.000 0.903 364 K CB 0.904 32.505 32.500 -1.498 0.000 1.077 364 K HN 0.644 nan 8.250 nan 0.000 0.474 365 I N 6.652 127.085 120.570 -0.229 0.000 2.287 365 I HA 0.152 4.320 4.170 -0.003 0.000 0.290 365 I C 1.204 177.285 176.117 -0.060 0.000 1.069 365 I CA -0.098 61.132 61.300 -0.118 0.000 1.237 365 I CB 0.708 38.626 38.000 -0.137 0.000 1.418 365 I HN 0.761 nan 8.210 nan 0.000 0.481 366 R N 3.936 124.406 120.500 -0.051 0.000 2.055 366 R HA 0.291 4.629 4.340 -0.003 0.000 0.226 366 R C 0.925 177.284 176.300 0.098 0.000 1.135 366 R CA 0.607 56.701 56.100 -0.010 0.000 0.959 366 R CB 0.133 30.405 30.300 -0.046 0.000 0.854 366 R HN 0.740 nan 8.270 nan 0.000 0.431 367 G N 0.684 109.550 108.800 0.109 0.000 2.328 367 G HA2 0.334 4.292 3.960 -0.003 0.000 0.295 367 G HA3 0.334 4.292 3.960 -0.003 0.000 0.295 367 G C -1.554 173.415 174.900 0.115 0.000 1.413 367 G CA -0.917 44.296 45.100 0.188 0.000 0.817 367 G HN 0.191 nan 8.290 nan 0.000 0.546 368 I N -1.369 119.287 120.570 0.143 0.000 2.441 368 I HA 0.843 5.011 4.170 -0.003 0.000 0.295 368 I C -1.395 174.715 176.117 -0.013 0.000 0.994 368 I CA -0.819 60.504 61.300 0.039 0.000 1.144 368 I CB 2.233 40.273 38.000 0.066 0.000 1.314 368 I HN 0.425 nan 8.210 nan 0.000 0.445 369 D N 5.972 126.329 120.400 -0.071 0.000 2.787 369 D HA 0.623 5.261 4.640 -0.003 0.000 0.246 369 D C -1.480 174.768 176.300 -0.086 0.000 1.150 369 D CA -0.444 53.518 54.000 -0.063 0.000 0.864 369 D CB 2.117 42.877 40.800 -0.067 0.000 1.481 369 D HN 0.592 nan 8.370 nan 0.000 0.509 370 I N 5.159 125.706 120.570 -0.038 0.000 2.692 370 I HA 0.293 4.461 4.170 -0.003 0.000 0.293 370 I C -2.005 174.105 176.117 -0.012 0.000 1.200 370 I CA -2.512 58.767 61.300 -0.035 0.000 1.036 370 I CB 2.459 40.448 38.000 -0.018 0.000 1.258 370 I HN 0.373 nan 8.210 nan 0.000 0.421 371 P HA -0.024 nan 4.420 nan 0.000 0.215 371 P C 0.319 177.612 177.300 -0.012 0.000 1.157 371 P CA 1.024 64.120 63.100 -0.007 0.000 0.859 371 P CB 0.618 32.317 31.700 -0.002 0.000 0.786 372 V N 1.093 121.002 119.914 -0.009 0.000 2.555 372 V HA 0.291 4.409 4.120 -0.003 0.000 0.302 372 V C 0.130 176.199 176.094 -0.042 0.000 1.038 372 V CA -0.970 61.317 62.300 -0.021 0.000 0.887 372 V CB 1.913 33.730 31.823 -0.010 0.000 0.991 372 V HN -0.096 nan 8.190 nan 0.000 0.434 373 L N 7.286 128.454 121.223 -0.091 0.000 2.357 373 L HA 0.669 5.007 4.340 -0.003 0.000 0.273 373 L C -2.020 174.747 176.870 -0.172 0.000 1.080 373 L CA -1.246 53.475 54.840 -0.198 0.000 0.803 373 L CB 1.450 43.361 42.059 -0.245 0.000 1.174 373 L HN 0.512 nan 8.230 nan 0.000 0.443 374 P HA 0.176 nan 4.420 nan 0.000 0.284 374 P C -0.911 176.313 177.300 -0.127 0.000 1.343 374 P CA -0.660 62.364 63.100 -0.127 0.000 0.826 374 P CB 0.638 32.289 31.700 -0.082 0.000 0.956 375 R N 3.066 123.519 120.500 -0.079 0.000 2.816 375 R HA 0.090 4.428 4.340 -0.003 0.000 0.344 375 R C -0.446 175.832 176.300 -0.038 0.000 1.065 375 R CA 0.788 56.853 56.100 -0.057 0.000 0.995 375 R CB -1.383 28.896 30.300 -0.034 0.000 0.984 375 R HN 0.356 nan 8.270 nan 0.000 0.435 376 T N 3.154 117.684 114.554 -0.040 0.000 3.686 376 T HA 0.394 4.742 4.350 -0.003 0.000 0.248 376 T C 0.365 175.073 174.700 0.012 0.000 1.090 376 T CA -0.037 62.060 62.100 -0.006 0.000 1.659 376 T CB 0.916 69.789 68.868 0.009 0.000 0.780 376 T HN 0.552 nan 8.240 nan 0.000 0.632 377 A N 1.891 124.717 122.820 0.010 0.000 3.768 377 A HA -0.220 4.098 4.320 -0.003 0.000 0.270 377 A C 0.289 177.891 177.584 0.030 0.000 1.019 377 A CA 1.290 53.340 52.037 0.022 0.000 1.058 377 A CB -1.874 17.147 19.000 0.035 0.000 1.085 377 A HN 0.871 nan 8.150 nan 0.000 0.857 378 D N -2.125 118.289 120.400 0.023 0.000 4.844 378 D HA -0.132 4.506 4.640 -0.003 0.000 0.239 378 D C -0.156 176.205 176.300 0.102 0.000 1.115 378 D CA 1.397 55.422 54.000 0.042 0.000 1.241 378 D CB -0.891 39.926 40.800 0.028 0.000 0.748 378 D HN 0.754 nan 8.370 nan 0.000 0.368 379 L N 0.440 121.771 121.223 0.181 0.000 2.464 379 L HA 0.560 4.898 4.340 -0.003 0.000 0.264 379 L C 1.176 178.187 176.870 0.236 0.000 1.062 379 L CA -0.481 54.479 54.840 0.200 0.000 0.935 379 L CB 1.790 43.977 42.059 0.213 0.000 1.603 379 L HN 0.445 nan 8.230 nan 0.000 0.528 380 T N -0.637 114.037 114.554 0.200 0.000 2.912 380 T HA 0.576 4.924 4.350 -0.003 0.000 0.280 380 T C -1.137 173.656 174.700 0.154 0.000 0.989 380 T CA -0.436 61.776 62.100 0.186 0.000 0.995 380 T CB 1.443 70.420 68.868 0.183 0.000 1.077 380 T HN 0.277 nan 8.240 nan 0.000 0.531 381 V N 3.700 123.708 119.914 0.157 0.000 3.000 381 V HA 0.778 4.896 4.120 -0.003 0.000 0.300 381 V C -1.692 174.598 176.094 0.326 0.000 1.251 381 V CA -0.795 61.535 62.300 0.050 0.000 0.972 381 V CB 1.831 33.480 31.823 -0.290 0.000 1.065 381 V HN 0.971 nan 8.190 nan 0.000 0.431 382 F N 3.978 124.020 119.950 0.153 0.000 2.654 382 F HA 0.888 5.413 4.527 -0.003 0.000 0.308 382 F C -1.358 174.363 175.800 -0.132 0.000 1.108 382 F CA -1.141 56.890 58.000 0.051 0.000 0.957 382 F CB 1.524 40.538 39.000 0.023 0.000 1.309 382 F HN 0.227 nan 8.300 nan 0.000 0.446 383 V N 1.678 121.391 119.914 -0.335 0.000 2.439 383 V HA 0.395 4.513 4.120 -0.003 0.000 0.282 383 V C -0.438 175.658 176.094 0.002 0.000 1.039 383 V CA -0.519 61.610 62.300 -0.285 0.000 0.913 383 V CB 1.324 32.853 31.823 -0.490 0.000 0.983 383 V HN 0.876 nan 8.190 nan 0.000 0.460 384 E N 3.236 123.491 120.200 0.093 0.000 2.171 384 E HA 0.707 5.055 4.350 -0.003 0.000 0.271 384 E C -0.710 175.977 176.600 0.145 0.000 0.916 384 E CA -0.658 55.859 56.400 0.194 0.000 0.774 384 E CB 1.641 31.536 29.700 0.325 0.000 1.128 384 E HN 0.838 nan 8.360 nan 0.000 0.403 385 A N 4.933 127.849 122.820 0.161 0.000 2.331 385 A HA 0.553 4.871 4.320 -0.003 0.000 0.320 385 A C -0.982 176.806 177.584 0.339 0.000 1.138 385 A CA -0.846 51.342 52.037 0.251 0.000 0.790 385 A CB 0.927 20.148 19.000 0.368 0.000 1.206 385 A HN 0.708 nan 8.150 nan 0.000 0.470 386 N N 1.742 120.589 118.700 0.245 0.000 2.238 386 N HA 0.420 5.158 4.740 -0.003 0.000 0.302 386 N C -1.254 174.287 175.510 0.051 0.000 1.072 386 N CA -0.492 52.677 53.050 0.197 0.000 0.792 386 N CB 1.893 40.453 38.487 0.121 0.000 1.425 386 N HN 0.472 nan 8.380 nan 0.000 0.478 387 I N 1.995 122.553 120.570 -0.019 0.000 2.315 387 I HA 0.241 4.409 4.170 -0.003 0.000 0.291 387 I C 0.180 176.259 176.117 -0.063 0.000 1.006 387 I CA -0.104 61.084 61.300 -0.186 0.000 1.265 387 I CB 0.851 38.677 38.000 -0.290 0.000 1.387 387 I HN 0.285 nan 8.210 nan 0.000 0.475 388 Q N 5.117 124.887 119.800 -0.050 0.000 2.377 388 Q HA 0.507 4.845 4.340 -0.003 0.000 0.271 388 Q C -1.743 174.302 176.000 0.075 0.000 1.077 388 Q CA -0.745 55.063 55.803 0.007 0.000 0.820 388 Q CB 3.395 32.127 28.738 -0.009 0.000 1.347 388 Q HN 0.482 nan 8.270 nan 0.000 0.444 389 Y N -0.686 119.551 120.300 -0.106 0.000 2.401 389 Y HA 0.398 4.947 4.550 -0.003 0.000 0.330 389 Y C 0.356 176.151 175.900 -0.174 0.000 1.071 389 Y CA 0.130 58.142 58.100 -0.146 0.000 1.049 389 Y CB 1.960 40.345 38.460 -0.124 0.000 1.239 389 Y HN 0.810 nan 8.280 nan 0.000 0.437 390 G N 4.979 113.467 108.800 -0.520 0.000 2.395 390 G HA2 -0.361 3.597 3.960 -0.003 0.000 0.300 390 G HA3 -0.361 3.597 3.960 -0.003 0.000 0.300 390 G C 0.482 175.224 174.900 -0.262 0.000 0.998 390 G CA 1.346 46.167 45.100 -0.466 0.000 1.046 390 G HN 1.126 nan 8.290 nan 0.000 0.513 391 Q N -2.309 117.386 119.800 -0.175 0.000 2.406 391 Q HA -0.289 4.049 4.340 -0.003 0.000 0.236 391 Q C 0.790 176.757 176.000 -0.056 0.000 0.799 391 Q CA 2.287 58.029 55.803 -0.101 0.000 1.286 391 Q CB -0.837 27.831 28.738 -0.116 0.000 1.615 391 Q HN 1.229 nan 8.270 nan 0.000 0.621 392 Q N -0.377 119.401 119.800 -0.037 0.000 2.274 392 Q HA 0.552 4.890 4.340 -0.003 0.000 0.260 392 Q C -0.113 175.906 176.000 0.031 0.000 0.974 392 Q CA -0.281 55.525 55.803 0.005 0.000 0.876 392 Q CB 1.962 30.714 28.738 0.022 0.000 1.297 392 Q HN 0.304 nan 8.270 nan 0.000 0.446 393 V N 2.239 122.173 119.914 0.034 0.000 2.385 393 V HA 0.208 4.326 4.120 -0.003 0.000 0.269 393 V C 0.849 176.969 176.094 0.044 0.000 1.043 393 V CA -0.426 61.900 62.300 0.043 0.000 0.906 393 V CB 0.120 31.973 31.823 0.050 0.000 0.995 393 V HN 0.924 nan 8.190 nan 0.000 0.467 394 L N 3.067 124.314 121.223 0.040 0.000 2.145 394 L HA 0.263 4.601 4.340 -0.003 0.000 0.201 394 L C 1.139 178.043 176.870 0.056 0.000 1.075 394 L CA 1.013 55.871 54.840 0.029 0.000 0.773 394 L CB 0.139 42.195 42.059 -0.006 0.000 0.936 394 L HN 0.743 nan 8.230 nan 0.000 0.451 395 C N -0.337 119.023 119.300 0.100 0.000 2.698 395 C HA 0.551 5.009 4.460 -0.003 0.000 0.309 395 C C -0.893 174.269 174.990 0.286 0.000 1.186 395 C CA -0.484 58.656 59.018 0.204 0.000 1.474 395 C CB 1.658 29.586 27.740 0.313 0.000 2.020 395 C HN 0.421 nan 8.230 nan 0.000 0.474 396 Q N 4.369 124.305 119.800 0.227 0.000 2.289 396 Q HA 0.658 4.996 4.340 -0.003 0.000 0.270 396 Q C -1.264 174.740 176.000 0.006 0.000 1.038 396 Q CA -0.554 55.356 55.803 0.177 0.000 0.812 396 Q CB 1.274 30.071 28.738 0.099 0.000 1.300 396 Q HN 0.739 nan 8.270 nan 0.000 0.427 397 R N 2.310 122.760 120.500 -0.082 0.000 2.837 397 R HA 0.648 4.986 4.340 -0.003 0.000 0.271 397 R C -0.947 175.276 176.300 -0.129 0.000 0.993 397 R CA -0.704 55.244 56.100 -0.254 0.000 0.931 397 R CB 2.165 32.072 30.300 -0.655 0.000 1.206 397 R HN 0.730 nan 8.270 nan 0.000 0.474 398 R N -0.768 119.645 120.500 -0.145 0.000 2.888 398 R HA 0.511 4.849 4.340 -0.003 0.000 0.264 398 R C -0.260 175.945 176.300 -0.158 0.000 1.045 398 R CA -0.659 55.379 56.100 -0.104 0.000 0.962 398 R CB 2.115 32.319 30.300 -0.159 0.000 1.210 398 R HN 0.800 nan 8.270 nan 0.000 0.479 399 T N -1.904 112.543 114.554 -0.179 0.000 2.923 399 T HA 0.403 4.751 4.350 -0.003 0.000 0.281 399 T C 0.018 174.675 174.700 -0.070 0.000 0.995 399 T CA -0.901 61.029 62.100 -0.283 0.000 0.985 399 T CB 1.357 69.637 68.868 -0.980 0.000 1.114 399 T HN 0.522 nan 8.240 nan 0.000 0.548 400 S N 1.104 116.890 115.700 0.144 0.000 2.499 400 S HA 0.408 4.876 4.470 -0.003 0.000 0.275 400 S C -2.754 172.104 174.600 0.431 0.000 1.257 400 S CA -1.254 57.084 58.200 0.230 0.000 1.050 400 S CB -0.114 63.224 63.200 0.232 0.000 0.937 400 S HN 0.594 nan 8.310 nan 0.000 0.490 401 P HA 0.177 nan 4.420 nan 0.000 0.263 401 P C -0.364 177.100 177.300 0.273 0.000 1.195 401 P CA 0.087 63.395 63.100 0.348 0.000 0.762 401 P CB 0.309 32.132 31.700 0.206 0.000 0.799 402 K N 4.151 124.714 120.400 0.272 0.000 2.409 402 K HA 0.536 4.854 4.320 -0.003 0.000 0.252 402 K C -2.655 173.997 176.600 0.088 0.000 1.036 402 K CA -2.335 54.002 56.287 0.083 0.000 0.871 402 K CB 1.557 33.975 32.500 -0.136 0.000 1.374 402 K HN 0.251 nan 8.250 nan 0.000 0.459 403 P HA 0.001 nan 4.420 nan 0.000 0.271 403 P C -0.672 176.726 177.300 0.163 0.000 1.216 403 P CA -0.167 62.994 63.100 0.101 0.000 0.776 403 P CB 0.325 32.061 31.700 0.060 0.000 0.881 404 F N 4.215 124.188 119.950 0.039 0.000 2.541 404 F HA 0.110 4.635 4.527 -0.003 0.000 0.347 404 F C 1.113 176.921 175.800 0.014 0.000 1.242 404 F CA -0.376 57.650 58.000 0.042 0.000 1.123 404 F CB -0.950 38.091 39.000 0.068 0.000 1.354 404 F HN 0.282 nan 8.300 nan 0.000 0.621 405 T N 0.995 115.750 114.554 0.335 0.000 2.946 405 T HA 0.329 4.677 4.350 -0.003 0.000 0.295 405 T C 0.905 175.696 174.700 0.151 0.000 1.143 405 T CA -0.192 61.991 62.100 0.138 0.000 0.944 405 T CB 0.858 69.754 68.868 0.046 0.000 1.800 405 T HN 0.513 nan 8.240 nan 0.000 0.590 406 E N -0.329 119.907 120.200 0.059 0.000 2.413 406 E HA 0.200 4.548 4.350 -0.003 0.000 0.203 406 E C 0.265 176.885 176.600 0.034 0.000 0.957 406 E CA 0.040 56.467 56.400 0.046 0.000 0.950 406 E CB 0.659 30.360 29.700 0.000 0.000 0.957 406 E HN 0.660 nan 8.360 nan 0.000 0.497 407 E N 1.445 121.651 120.200 0.009 0.000 2.283 407 E HA 0.282 4.630 4.350 -0.003 0.000 0.258 407 E C -1.622 174.940 176.600 -0.063 0.000 0.893 407 E CA -0.343 56.044 56.400 -0.022 0.000 0.798 407 E CB 1.899 31.580 29.700 -0.032 0.000 1.242 407 E HN -0.172 nan 8.360 nan 0.000 0.414 408 V N 6.270 126.127 119.914 -0.096 0.000 2.376 408 V HA 0.367 4.486 4.120 -0.003 0.000 0.287 408 V C 0.115 176.006 176.094 -0.339 0.000 1.015 408 V CA -0.665 61.468 62.300 -0.278 0.000 0.834 408 V CB 1.054 32.659 31.823 -0.363 0.000 1.001 408 V HN 0.626 nan 8.190 nan 0.000 0.428 409 L N 3.398 124.411 121.223 -0.350 0.000 2.399 409 L HA 0.518 4.856 4.340 -0.003 0.000 0.265 409 L C 0.487 177.144 176.870 -0.354 0.000 1.089 409 L CA -0.304 54.407 54.840 -0.216 0.000 0.802 409 L CB 1.680 43.662 42.059 -0.129 0.000 1.180 409 L HN 0.647 nan 8.230 nan 0.000 0.454 410 W N -0.261 121.013 121.300 -0.044 0.000 5.070 410 W HA 0.039 4.697 4.660 -0.003 0.000 0.176 410 W C 0.749 177.230 176.519 -0.063 0.000 1.077 410 W CA 0.040 57.360 57.345 -0.041 0.000 1.880 410 W CB 0.130 29.567 29.460 -0.039 0.000 0.615 410 W HN 0.714 nan 8.180 nan 0.000 1.044 411 N N 1.194 119.982 118.700 0.147 0.000 2.716 411 N HA -0.175 4.564 4.740 -0.003 0.000 0.250 411 N C -1.054 174.423 175.510 -0.055 0.000 1.033 411 N CA 0.691 53.729 53.050 -0.019 0.000 0.727 411 N CB -1.151 37.322 38.487 -0.024 0.000 0.950 411 N HN -0.205 nan 8.380 nan 0.000 0.541 412 V N 0.532 120.442 119.914 -0.008 0.000 2.472 412 V HA 0.387 4.505 4.120 -0.003 0.000 0.290 412 V C 0.512 176.559 176.094 -0.078 0.000 1.037 412 V CA -0.655 61.649 62.300 0.006 0.000 0.908 412 V CB 0.971 32.843 31.823 0.081 0.000 0.985 412 V HN 0.240 nan 8.190 nan 0.000 0.454 413 W N 4.895 126.194 121.300 -0.001 0.000 2.358 413 W HA 0.536 5.194 4.660 -0.003 0.000 0.307 413 W C -0.166 176.312 176.519 -0.069 0.000 1.203 413 W CA -0.303 57.024 57.345 -0.029 0.000 1.279 413 W CB 0.757 30.200 29.460 -0.029 0.000 1.264 413 W HN 0.363 nan 8.180 nan 0.000 0.474 414 L N 3.839 125.161 121.223 0.166 0.000 2.264 414 L HA 0.313 4.652 4.340 -0.003 0.000 0.289 414 L C 0.238 177.074 176.870 -0.057 0.000 1.044 414 L CA -0.531 54.285 54.840 -0.040 0.000 0.807 414 L CB 1.118 43.098 42.059 -0.132 0.000 1.192 414 L HN 0.390 nan 8.230 nan 0.000 0.425 415 E N 3.075 123.188 120.200 -0.147 0.000 2.166 415 E HA 0.446 4.794 4.350 -0.003 0.000 0.275 415 E C -1.319 175.178 176.600 -0.171 0.000 0.941 415 E CA -0.673 55.687 56.400 -0.065 0.000 0.784 415 E CB 1.195 30.873 29.700 -0.035 0.000 1.115 415 E HN 0.240 nan 8.360 nan 0.000 0.399 416 F N 1.011 121.011 119.950 0.084 0.000 2.450 416 F HA 0.159 4.684 4.527 -0.003 0.000 0.328 416 F C 1.737 177.587 175.800 0.083 0.000 1.068 416 F CA -0.513 57.559 58.000 0.121 0.000 1.007 416 F CB 1.642 40.790 39.000 0.246 0.000 1.251 416 F HN 0.525 nan 8.300 nan 0.000 0.492 417 S N -0.061 115.784 115.700 0.241 0.000 2.470 417 S HA 0.157 4.625 4.470 -0.003 0.000 0.225 417 S C 0.599 175.279 174.600 0.133 0.000 1.006 417 S CA 0.101 58.381 58.200 0.133 0.000 0.934 417 S CB -0.638 62.610 63.200 0.079 0.000 0.778 417 S HN 0.398 nan 8.310 nan 0.000 0.517 418 I N 2.161 122.836 120.570 0.174 0.000 2.696 418 I HA 0.158 4.326 4.170 -0.003 0.000 0.284 418 I C 0.222 176.406 176.117 0.113 0.000 1.129 418 I CA -0.167 61.190 61.300 0.094 0.000 1.410 418 I CB 0.469 38.485 38.000 0.027 0.000 1.399 418 I HN 0.053 nan 8.210 nan 0.000 0.579 419 K N 4.897 125.330 120.400 0.056 0.000 2.130 419 K HA 0.318 4.636 4.320 -0.003 0.000 0.268 419 K C 0.789 177.419 176.600 0.051 0.000 0.983 419 K CA -0.859 55.467 56.287 0.065 0.000 0.893 419 K CB 1.701 34.220 32.500 0.031 0.000 1.066 419 K HN 0.385 nan 8.250 nan 0.000 0.450 420 I N 1.915 122.542 120.570 0.094 0.000 2.143 420 I HA -0.312 3.856 4.170 -0.003 0.000 0.245 420 I C 1.828 177.956 176.117 0.019 0.000 1.068 420 I CA 1.725 63.073 61.300 0.080 0.000 1.326 420 I CB -0.742 37.328 38.000 0.116 0.000 1.028 420 I HN 0.624 nan 8.210 nan 0.000 0.412 421 K N 0.674 121.083 120.400 0.016 0.000 2.442 421 K HA -0.130 4.188 4.320 -0.003 0.000 0.198 421 K C 1.227 177.806 176.600 -0.035 0.000 1.044 421 K CA 0.827 57.111 56.287 -0.005 0.000 0.948 421 K CB -0.198 32.301 32.500 -0.001 0.000 0.762 421 K HN 0.287 nan 8.250 nan 0.000 0.472 422 D N -0.621 119.751 120.400 -0.048 0.000 2.369 422 D HA 0.061 4.699 4.640 -0.003 0.000 0.211 422 D C -0.278 175.948 176.300 -0.124 0.000 1.077 422 D CA 0.051 54.001 54.000 -0.083 0.000 0.842 422 D CB 0.291 41.045 40.800 -0.076 0.000 0.947 422 D HN 0.115 nan 8.370 nan 0.000 0.509 423 L N 3.816 124.965 121.223 -0.123 0.000 2.433 423 L HA 0.174 4.512 4.340 -0.003 0.000 0.275 423 L C -1.878 174.896 176.870 -0.161 0.000 1.128 423 L CA -1.217 53.515 54.840 -0.180 0.000 0.875 423 L CB 0.376 42.315 42.059 -0.200 0.000 1.171 423 L HN -0.186 nan 8.230 nan 0.000 0.463 424 P HA 0.061 nan 4.420 nan 0.000 0.277 424 P C -0.896 176.360 177.300 -0.074 0.000 1.240 424 P CA -0.674 62.292 63.100 -0.223 0.000 0.798 424 P CB 1.020 32.368 31.700 -0.587 0.000 0.979 425 K N 1.048 121.468 120.400 0.033 0.000 2.416 425 K HA 0.287 4.605 4.320 -0.003 0.000 0.283 425 K C 0.947 177.697 176.600 0.250 0.000 1.037 425 K CA 0.760 57.097 56.287 0.084 0.000 0.995 425 K CB -0.638 31.865 32.500 0.005 0.000 0.938 425 K HN 0.820 nan 8.250 nan 0.000 0.475 426 G N 1.981 110.934 108.800 0.255 0.000 2.179 426 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.220 426 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.220 426 G C -0.005 174.967 174.900 0.119 0.000 0.990 426 G CA -0.065 45.139 45.100 0.174 0.000 0.646 426 G HN 0.878 nan 8.290 nan 0.000 0.517 427 A N 0.065 122.991 122.820 0.176 0.000 2.322 427 A HA 0.815 5.133 4.320 -0.003 0.000 0.269 427 A C 0.276 177.818 177.584 -0.069 0.000 1.094 427 A CA 0.062 52.170 52.037 0.119 0.000 0.807 427 A CB 0.547 19.535 19.000 -0.020 0.000 1.047 427 A HN 0.840 nan 8.150 nan 0.000 0.487 428 L N 1.126 122.298 121.223 -0.086 0.000 2.342 428 L HA 0.478 4.816 4.340 -0.003 0.000 0.271 428 L C -0.778 176.005 176.870 -0.145 0.000 1.008 428 L CA -0.969 53.797 54.840 -0.123 0.000 0.818 428 L CB 1.827 43.832 42.059 -0.091 0.000 1.296 428 L HN 0.655 nan 8.230 nan 0.000 0.427 429 L N 3.233 124.366 121.223 -0.150 0.000 2.262 429 L HA 0.367 4.705 4.340 -0.003 0.000 0.288 429 L C -0.261 176.582 176.870 -0.045 0.000 1.035 429 L CA 0.135 54.895 54.840 -0.133 0.000 0.820 429 L CB 0.694 42.674 42.059 -0.133 0.000 1.204 429 L HN 0.556 nan 8.230 nan 0.000 0.424 430 N N 5.965 124.666 118.700 0.001 0.000 2.419 430 N HA 0.349 5.087 4.740 -0.003 0.000 0.264 430 N C -1.522 174.037 175.510 0.083 0.000 1.031 430 N CA -0.464 52.617 53.050 0.052 0.000 0.951 430 N CB 0.801 39.320 38.487 0.053 0.000 1.101 430 N HN 0.674 nan 8.380 nan 0.000 0.488 431 L N 3.340 124.616 121.223 0.089 0.000 2.319 431 L HA 0.382 4.720 4.340 -0.003 0.000 0.281 431 L C -0.282 176.641 176.870 0.088 0.000 1.005 431 L CA -0.594 54.291 54.840 0.074 0.000 0.828 431 L CB 1.762 43.839 42.059 0.030 0.000 1.227 431 L HN 0.418 nan 8.230 nan 0.000 0.415 432 Q N 3.950 123.798 119.800 0.080 0.000 2.345 432 Q HA 0.670 5.008 4.340 -0.003 0.000 0.268 432 Q C -1.045 174.929 176.000 -0.043 0.000 1.054 432 Q CA -0.795 55.029 55.803 0.037 0.000 0.835 432 Q CB 3.400 32.158 28.738 0.033 0.000 1.339 432 Q HN 0.525 nan 8.270 nan 0.000 0.447 433 I N 1.889 122.385 120.570 -0.123 0.000 2.406 433 I HA 0.389 4.557 4.170 -0.003 0.000 0.290 433 I C -1.184 174.736 176.117 -0.329 0.000 0.999 433 I CA -0.736 60.456 61.300 -0.180 0.000 1.124 433 I CB 0.961 38.939 38.000 -0.036 0.000 1.289 433 I HN 0.534 nan 8.210 nan 0.000 0.441 434 Y N 3.501 123.452 120.300 -0.582 0.000 2.549 434 Y HA 0.541 5.089 4.550 -0.003 0.000 0.339 434 Y C 0.537 176.211 175.900 -0.376 0.000 1.053 434 Y CA -0.205 57.588 58.100 -0.511 0.000 1.105 434 Y CB 1.741 39.756 38.460 -0.742 0.000 1.258 434 Y HN 0.775 nan 8.280 nan 0.000 0.478 460 L N 4.512 125.573 121.223 -0.270 0.000 2.313 460 L HA 0.291 4.630 4.340 -0.003 0.000 0.282 460 L C -0.489 176.168 176.870 -0.354 0.000 1.092 460 L CA 0.628 55.049 54.840 -0.698 0.000 0.831 460 L CB 0.402 42.031 42.059 -0.718 0.000 1.159 460 L HN 0.883 nan 8.230 nan 0.000 0.442 461 L N 4.572 125.590 121.223 -0.341 0.000 2.349 461 L HA 0.241 4.579 4.340 -0.003 0.000 0.200 461 L C -0.392 176.170 176.870 -0.513 0.000 1.064 461 L CA 0.078 54.677 54.840 -0.401 0.000 0.821 461 L CB 0.151 41.968 42.059 -0.403 0.000 1.027 461 L HN 0.502 nan 8.230 nan 0.000 0.476 462 Y N -1.447 118.824 120.300 -0.048 0.000 2.576 462 Y HA 0.506 5.054 4.550 -0.003 0.000 0.346 462 Y C -0.702 175.237 175.900 0.064 0.000 1.018 462 Y CA -1.337 56.761 58.100 -0.002 0.000 1.050 462 Y CB 1.528 39.949 38.460 -0.066 0.000 1.280 462 Y HN -0.022 nan 8.280 nan 0.000 0.474 463 Y N -1.317 119.096 120.300 0.189 0.000 2.625 463 Y HA 0.883 5.431 4.550 -0.003 0.000 0.338 463 Y C -1.919 174.100 175.900 0.197 0.000 1.123 463 Y CA -1.695 56.481 58.100 0.126 0.000 1.046 463 Y CB 1.425 39.934 38.460 0.081 0.000 1.299 463 Y HN 0.615 nan 8.280 nan 0.000 0.464 464 V N 1.699 121.757 119.914 0.241 0.000 3.177 464 V HA 0.491 4.609 4.120 -0.003 0.000 0.287 464 V C -2.063 174.141 176.094 0.183 0.000 1.465 464 V CA -0.801 61.609 62.300 0.183 0.000 1.020 464 V CB 2.453 34.273 31.823 -0.005 0.000 1.152 464 V HN 1.016 nan 8.190 nan 0.000 0.448 465 N N 3.104 121.904 118.700 0.168 0.000 2.265 465 N HA 0.773 5.511 4.740 -0.003 0.000 0.300 465 N C -1.738 173.776 175.510 0.006 0.000 1.148 465 N CA -0.411 52.687 53.050 0.081 0.000 0.772 465 N CB 2.651 41.194 38.487 0.093 0.000 1.434 465 N HN 0.606 nan 8.380 nan 0.000 0.481 466 L N 1.303 122.481 121.223 -0.075 0.000 2.476 466 L HA 0.463 4.801 4.340 -0.003 0.000 0.269 466 L C -1.337 175.430 176.870 -0.171 0.000 0.965 466 L CA -0.432 54.307 54.840 -0.168 0.000 0.845 466 L CB 1.417 43.297 42.059 -0.297 0.000 1.259 466 L HN 0.449 nan 8.230 nan 0.000 0.403 467 L N 5.695 126.827 121.223 -0.153 0.000 2.462 467 L HA 0.114 4.452 4.340 -0.003 0.000 0.272 467 L C 1.191 177.975 176.870 -0.143 0.000 1.166 467 L CA 0.161 54.903 54.840 -0.165 0.000 0.880 467 L CB 0.696 42.638 42.059 -0.195 0.000 1.142 467 L HN 0.788 nan 8.230 nan 0.000 0.473 468 L N 4.562 125.694 121.223 -0.152 0.000 2.179 468 L HA 0.061 4.399 4.340 -0.003 0.000 0.208 468 L C 0.570 177.400 176.870 -0.067 0.000 1.096 468 L CA 0.908 55.656 54.840 -0.152 0.000 0.779 468 L CB 0.072 41.964 42.059 -0.277 0.000 0.922 468 L HN 0.511 nan 8.230 nan 0.000 0.443 469 I N 0.450 121.002 120.570 -0.030 0.000 2.362 469 I HA 0.128 4.296 4.170 -0.003 0.000 0.289 469 I C -0.501 175.671 176.117 0.092 0.000 0.994 469 I CA -0.936 60.376 61.300 0.020 0.000 1.158 469 I CB 1.541 39.547 38.000 0.010 0.000 1.315 469 I HN 0.060 nan 8.210 nan 0.000 0.451 470 D N 4.834 125.271 120.400 0.062 0.000 2.447 470 D HA -0.000 4.638 4.640 -0.003 0.000 0.265 470 D C 1.365 177.662 176.300 -0.004 0.000 1.250 470 D CA -0.015 54.050 54.000 0.110 0.000 1.046 470 D CB 0.339 41.139 40.800 0.000 0.000 1.095 470 D HN 0.591 nan 8.370 nan 0.000 0.555 471 H N -0.634 118.422 119.070 -0.024 0.000 2.489 471 H HA -0.005 4.549 4.556 -0.003 0.000 0.293 471 H C 0.925 176.082 175.328 -0.286 0.000 1.066 471 H CA 0.802 56.678 56.048 -0.287 0.000 1.305 471 H CB -0.232 29.343 29.762 -0.312 0.000 1.386 471 H HN 0.326 nan 8.280 nan 0.000 0.551 472 R N -0.323 119.807 120.500 -0.617 0.000 2.334 472 R HA 0.050 4.388 4.340 -0.003 0.000 0.220 472 R C -0.268 176.186 176.300 0.257 0.000 0.917 472 R CA -0.116 55.864 56.100 -0.201 0.000 1.073 472 R CB -0.012 30.057 30.300 -0.385 0.000 1.056 472 R HN 0.169 nan 8.270 nan 0.000 0.506 473 F N -0.728 119.119 119.950 -0.172 0.000 2.965 473 F HA -0.237 4.288 4.527 -0.003 0.000 0.287 473 F C -0.270 175.510 175.800 -0.034 0.000 0.790 473 F CA 0.268 58.219 58.000 -0.081 0.000 1.279 473 F CB -1.961 36.999 39.000 -0.067 0.000 1.409 473 F HN -0.013 nan 8.300 nan 0.000 0.446 474 L N 0.665 121.952 121.223 0.106 0.000 2.322 474 L HA 0.565 4.903 4.340 -0.003 0.000 0.281 474 L C 0.361 177.300 176.870 0.114 0.000 1.014 474 L CA -1.292 53.623 54.840 0.125 0.000 0.815 474 L CB 1.393 43.524 42.059 0.121 0.000 1.247 474 L HN 0.044 nan 8.230 nan 0.000 0.421 475 L N 3.211 124.520 121.223 0.143 0.000 2.499 475 L HA 0.075 4.413 4.340 -0.003 0.000 0.281 475 L C 0.377 177.349 176.870 0.171 0.000 1.234 475 L CA 0.462 55.384 54.840 0.136 0.000 0.839 475 L CB 0.264 42.421 42.059 0.164 0.000 1.104 475 L HN 0.591 nan 8.230 nan 0.000 0.500 476 R N 4.134 124.712 120.500 0.131 0.000 2.196 476 R HA 0.314 4.653 4.340 -0.003 0.000 0.340 476 R C -0.699 175.716 176.300 0.193 0.000 1.043 476 R CA -0.335 55.827 56.100 0.104 0.000 0.883 476 R CB 0.080 30.352 30.300 -0.047 0.000 1.078 476 R HN 0.878 nan 8.270 nan 0.000 0.462 477 H N 2.039 121.247 119.070 0.230 0.000 2.710 477 H HA 0.812 5.367 4.556 -0.003 0.000 0.361 477 H C -0.134 175.373 175.328 0.299 0.000 1.175 477 H CA -0.433 55.755 56.048 0.234 0.000 1.206 477 H CB 1.945 31.798 29.762 0.153 0.000 1.750 477 H HN 0.807 nan 8.280 nan 0.000 0.553 478 G N 0.642 109.598 108.800 0.259 0.000 2.423 478 G HA2 -0.098 3.860 3.960 -0.003 0.000 0.684 478 G HA3 -0.098 3.860 3.960 -0.003 0.000 0.684 478 G C -1.312 173.605 174.900 0.029 0.000 1.309 478 G CA -0.840 44.292 45.100 0.054 0.000 0.950 478 G HN 0.671 nan 8.290 nan 0.000 0.587 479 E N -0.410 119.702 120.200 -0.146 0.000 2.249 479 E HA 0.584 4.932 4.350 -0.003 0.000 0.280 479 E C -1.082 175.322 176.600 -0.328 0.000 1.016 479 E CA -0.061 56.279 56.400 -0.100 0.000 0.830 479 E CB 1.426 31.076 29.700 -0.083 0.000 1.081 479 E HN 0.384 nan 8.360 nan 0.000 0.395 480 Y N 0.095 120.367 120.300 -0.047 0.000 2.442 480 Y HA 0.289 4.837 4.550 -0.003 0.000 0.344 480 Y C -0.256 175.609 175.900 -0.058 0.000 0.976 480 Y CA -0.812 57.253 58.100 -0.058 0.000 1.040 480 Y CB 1.929 40.333 38.460 -0.094 0.000 1.228 480 Y HN 0.101 nan 8.280 nan 0.000 0.451 481 V N 5.581 125.539 119.914 0.074 0.000 2.326 481 V HA 0.391 4.509 4.120 -0.003 0.000 0.281 481 V C -0.616 175.494 176.094 0.025 0.000 1.015 481 V CA -0.715 61.591 62.300 0.010 0.000 0.823 481 V CB 0.955 32.775 31.823 -0.005 0.000 1.009 481 V HN 0.556 nan 8.190 nan 0.000 0.436 482 L N 4.893 126.088 121.223 -0.048 0.000 2.287 482 L HA 0.553 4.892 4.340 -0.003 0.000 0.287 482 L C 0.136 176.877 176.870 -0.215 0.000 1.022 482 L CA -0.591 54.219 54.840 -0.049 0.000 0.814 482 L CB 0.987 43.017 42.059 -0.048 0.000 1.217 482 L HN 0.556 nan 8.230 nan 0.000 0.420 483 H N 4.572 123.545 119.070 -0.162 0.000 2.646 483 H HA 0.333 4.887 4.556 -0.003 0.000 0.325 483 H C -0.252 174.823 175.328 -0.422 0.000 1.075 483 H CA -0.028 55.862 56.048 -0.263 0.000 1.421 483 H CB 1.353 30.954 29.762 -0.268 0.000 1.461 483 H HN 0.475 nan 8.280 nan 0.000 0.525 484 M N 2.373 121.751 119.600 -0.369 0.000 2.359 484 M HA 0.183 4.661 4.480 -0.003 0.000 0.322 484 M C -0.463 175.541 176.300 -0.494 0.000 1.166 484 M CA -0.482 54.563 55.300 -0.425 0.000 1.067 484 M CB 1.306 33.759 32.600 -0.244 0.000 1.523 484 M HN 0.424 nan 8.290 nan 0.000 0.467 485 W N 0.979 122.067 121.300 -0.354 0.000 2.376 485 W HA 0.437 5.094 4.660 -0.003 0.000 0.322 485 W C 0.066 176.435 176.519 -0.250 0.000 1.160 485 W CA -0.358 56.741 57.345 -0.409 0.000 1.218 485 W CB 0.574 29.577 29.460 -0.761 0.000 1.205 485 W HN 0.486 nan 8.180 nan 0.000 0.559 486 Q N 2.637 122.572 119.800 0.226 0.000 2.230 486 Q HA 0.395 4.733 4.340 -0.003 0.000 0.253 486 Q C -0.719 175.384 176.000 0.172 0.000 0.919 486 Q CA -0.642 55.229 55.803 0.114 0.000 0.908 486 Q CB 0.971 29.759 28.738 0.084 0.000 1.245 486 Q HN 0.515 nan 8.270 nan 0.000 0.437 487 L N 3.359 124.629 121.223 0.079 0.000 2.418 487 L HA 0.028 4.366 4.340 -0.003 0.000 0.274 487 L C 1.216 178.126 176.870 0.067 0.000 1.135 487 L CA 0.090 55.002 54.840 0.120 0.000 0.870 487 L CB 0.974 43.038 42.059 0.008 0.000 1.154 487 L HN 0.931 nan 8.230 nan 0.000 0.462 488 S N 2.599 118.360 115.700 0.101 0.000 2.484 488 S HA -0.028 4.440 4.470 -0.003 0.000 0.250 488 S C 0.671 175.301 174.600 0.050 0.000 0.995 488 S CA 0.986 59.234 58.200 0.079 0.000 0.967 488 S CB -0.140 63.107 63.200 0.078 0.000 0.752 488 S HN 1.012 nan 8.310 nan 0.000 0.517 498 N N 0.835 119.636 118.700 0.167 0.000 2.328 498 N HA 0.606 5.344 4.740 -0.003 0.000 0.299 498 N C 0.390 175.942 175.510 0.069 0.000 1.179 498 N CA 0.040 53.135 53.050 0.076 0.000 0.793 498 N CB 1.266 39.768 38.487 0.025 0.000 1.366 498 N HN 0.365 nan 8.380 nan 0.000 0.493 499 A N 0.531 123.408 122.820 0.095 0.000 1.948 499 A HA -0.244 4.075 4.320 -0.003 0.000 0.220 499 A C 1.272 178.925 177.584 0.115 0.000 1.177 499 A CA 1.982 54.082 52.037 0.104 0.000 0.636 499 A CB -0.957 17.961 19.000 -0.138 0.000 0.815 499 A HN 0.791 nan 8.150 nan 0.000 0.449 500 D N -0.110 120.289 120.400 -0.002 0.000 2.116 500 D HA -0.161 4.477 4.640 -0.003 0.000 0.193 500 D C 1.708 177.959 176.300 -0.081 0.000 0.998 500 D CA 1.509 55.413 54.000 -0.159 0.000 0.836 500 D CB -0.357 40.056 40.800 -0.645 0.000 0.951 500 D HN 0.501 nan 8.370 nan 0.000 0.449 501 K N -0.029 120.269 120.400 -0.171 0.000 2.519 501 K HA -0.028 4.290 4.320 -0.003 0.000 0.196 501 K C 1.636 178.196 176.600 -0.068 0.000 1.041 501 K CA 0.300 56.376 56.287 -0.351 0.000 0.954 501 K CB 0.017 32.196 32.500 -0.535 0.000 0.774 501 K HN 0.238 nan 8.250 nan 0.000 0.480 502 L N -0.018 121.231 121.223 0.043 0.000 2.592 502 L HA 0.033 4.371 4.340 -0.003 0.000 0.227 502 L C 1.139 178.071 176.870 0.104 0.000 1.127 502 L CA -0.094 54.794 54.840 0.080 0.000 0.884 502 L CB 0.201 42.328 42.059 0.114 0.000 1.065 502 L HN -0.049 nan 8.230 nan 0.000 0.457 503 T N -0.407 114.201 114.554 0.090 0.000 2.916 503 T HA 0.000 4.348 4.350 -0.003 0.000 0.303 503 T C 1.313 176.036 174.700 0.040 0.000 1.025 503 T CA 0.334 62.399 62.100 -0.058 0.000 1.142 503 T CB 0.866 69.461 68.868 -0.455 0.000 0.947 503 T HN 0.357 nan 8.240 nan 0.000 0.544 504 S N 3.241 118.942 115.700 0.002 0.000 2.593 504 S HA 0.361 4.829 4.470 -0.003 0.000 0.217 504 S C 0.908 175.600 174.600 0.154 0.000 0.966 504 S CA -0.143 58.093 58.200 0.059 0.000 0.914 504 S CB -0.001 63.178 63.200 -0.035 0.000 0.776 504 S HN 0.895 nan 8.310 nan 0.000 0.523 505 A N 2.368 125.267 122.820 0.131 0.000 2.371 505 A HA 0.558 4.876 4.320 -0.003 0.000 0.257 505 A C 0.704 178.513 177.584 0.375 0.000 1.089 505 A CA -0.169 51.986 52.037 0.197 0.000 0.794 505 A CB 0.084 19.148 19.000 0.106 0.000 1.029 505 A HN 0.559 nan 8.150 nan 0.000 0.488 506 T N 0.181 114.846 114.554 0.185 0.000 2.943 506 T HA 0.371 4.719 4.350 -0.003 0.000 0.284 506 T C 0.139 174.605 174.700 -0.390 0.000 1.015 506 T CA -0.990 61.079 62.100 -0.052 0.000 1.042 506 T CB 0.739 69.610 68.868 0.004 0.000 1.055 506 T HN 0.582 nan 8.240 nan 0.000 0.500 507 N N 2.759 120.809 118.700 -1.084 0.000 2.447 507 N HA 0.086 4.824 4.740 -0.003 0.000 0.263 507 N C -1.273 173.932 175.510 -0.507 0.000 1.226 507 N CA -1.836 50.420 53.050 -1.324 0.000 0.906 507 N CB 1.027 38.759 38.487 -1.258 0.000 1.060 507 N HN 0.438 nan 8.380 nan 0.000 0.468 508 P HA -0.033 nan 4.420 nan 0.000 0.231 508 P C 0.030 177.221 177.300 -0.182 0.000 1.168 508 P CA 0.406 63.406 63.100 -0.167 0.000 0.779 508 P CB 0.302 31.985 31.700 -0.029 0.000 0.844 509 D N 1.471 121.764 120.400 -0.178 0.000 2.597 509 D HA -0.001 4.637 4.640 -0.003 0.000 0.228 509 D C 0.962 177.154 176.300 -0.180 0.000 1.120 509 D CA 0.095 54.018 54.000 -0.128 0.000 1.083 509 D CB -0.059 40.697 40.800 -0.074 0.000 1.116 509 D HN 0.080 nan 8.370 nan 0.000 0.487 510 K N 0.759 120.988 120.400 -0.285 0.000 2.442 510 K HA -0.083 4.235 4.320 -0.003 0.000 0.198 510 K C 1.272 177.760 176.600 -0.186 0.000 1.042 510 K CA 0.670 56.665 56.287 -0.487 0.000 0.958 510 K CB 0.528 32.647 32.500 -0.635 0.000 0.766 510 K HN 0.446 nan 8.250 nan 0.000 0.474 511 E N 0.368 120.513 120.200 -0.093 0.000 2.166 511 E HA -0.002 4.346 4.350 -0.003 0.000 0.192 511 E C 1.215 177.815 176.600 -0.001 0.000 0.967 511 E CA 0.461 56.843 56.400 -0.031 0.000 0.840 511 E CB 0.244 29.925 29.700 -0.031 0.000 0.795 511 E HN 0.295 nan 8.360 nan 0.000 0.470 512 N N 0.720 119.418 118.700 -0.003 0.000 2.282 512 N HA -0.015 4.723 4.740 -0.003 0.000 0.185 512 N C 0.569 176.092 175.510 0.021 0.000 1.099 512 N CA 0.186 53.243 53.050 0.012 0.000 0.878 512 N CB 0.639 39.135 38.487 0.015 0.000 0.993 512 N HN -0.018 nan 8.380 nan 0.000 0.481 513 S N 0.653 116.366 115.700 0.022 0.000 2.617 513 S HA 0.386 4.854 4.470 -0.003 0.000 0.269 513 S C 0.299 174.860 174.600 -0.065 0.000 1.292 513 S CA -0.755 57.446 58.200 0.002 0.000 1.010 513 S CB 1.395 64.578 63.200 -0.029 0.000 0.944 513 S HN 0.105 nan 8.310 nan 0.000 0.536 514 M N 3.430 122.906 119.600 -0.208 0.000 2.228 514 M HA 0.392 4.870 4.480 -0.003 0.000 0.351 514 M C -0.120 175.943 176.300 -0.395 0.000 1.233 514 M CA 0.330 55.392 55.300 -0.397 0.000 1.129 514 M CB 0.593 32.610 32.600 -0.972 0.000 1.604 514 M HN 0.884 nan 8.290 nan 0.000 0.457 515 S N 5.512 120.979 115.700 -0.388 0.000 2.566 515 S HA 0.797 5.265 4.470 -0.003 0.000 0.298 515 S C -0.797 173.623 174.600 -0.302 0.000 1.083 515 S CA -1.042 56.861 58.200 -0.496 0.000 0.978 515 S CB 1.384 64.083 63.200 -0.836 0.000 1.073 515 S HN 0.924 nan 8.310 nan 0.000 0.491 516 I N 1.855 122.277 120.570 -0.246 0.000 2.509 516 I HA 0.651 4.819 4.170 -0.003 0.000 0.293 516 I C -0.529 175.531 176.117 -0.095 0.000 1.020 516 I CA -0.244 60.975 61.300 -0.134 0.000 1.088 516 I CB 2.127 40.063 38.000 -0.107 0.000 1.267 516 I HN 0.811 nan 8.210 nan 0.000 0.430 517 S N 8.012 123.681 115.700 -0.052 0.000 2.454 517 S HA 0.775 5.243 4.470 -0.003 0.000 0.306 517 S C -0.602 173.986 174.600 -0.019 0.000 1.100 517 S CA -0.613 57.569 58.200 -0.030 0.000 1.087 517 S CB 0.710 63.890 63.200 -0.032 0.000 1.019 517 S HN 0.575 nan 8.310 nan 0.000 0.480 518 I N 1.606 122.180 120.570 0.007 0.000 3.074 518 I HA 0.805 4.973 4.170 -0.003 0.000 0.310 518 I C -1.957 174.169 176.117 0.015 0.000 1.153 518 I CA -1.416 59.878 61.300 -0.011 0.000 0.993 518 I CB 2.023 40.027 38.000 0.007 0.000 1.237 518 I HN 0.585 nan 8.210 nan 0.000 0.443 519 L N 3.546 124.736 121.223 -0.055 0.000 2.386 519 L HA 0.741 5.079 4.340 -0.003 0.000 0.271 519 L C -1.903 175.006 176.870 0.065 0.000 0.993 519 L CA -0.426 54.409 54.840 -0.008 0.000 0.819 519 L CB 1.789 43.773 42.059 -0.124 0.000 1.294 519 L HN 0.618 nan 8.230 nan 0.000 0.414 520 L N 4.320 125.659 121.223 0.193 0.000 2.381 520 L HA 0.638 4.976 4.340 -0.003 0.000 0.274 520 L C -1.206 175.829 176.870 0.275 0.000 0.988 520 L CA -0.140 54.840 54.840 0.232 0.000 0.824 520 L CB 1.791 43.991 42.059 0.235 0.000 1.263 520 L HN 0.614 nan 8.230 nan 0.000 0.410 521 D N 3.128 123.685 120.400 0.262 0.000 2.445 521 D HA 0.388 5.026 4.640 -0.003 0.000 0.236 521 D C -0.539 175.837 176.300 0.126 0.000 1.315 521 D CA -0.068 54.062 54.000 0.216 0.000 0.924 521 D CB 0.499 41.435 40.800 0.227 0.000 1.447 521 D HN 0.647 nan 8.370 nan 0.000 0.532 526 P HA -0.153 nan 4.420 nan 0.000 0.207 526 P C 0.206 177.436 177.300 -0.117 0.000 1.115 526 P CA 1.452 64.441 63.100 -0.185 0.000 0.956 526 P CB -0.040 31.643 31.700 -0.028 0.000 0.774 527 I N -0.499 120.075 120.570 0.008 0.000 2.906 527 I HA -0.005 4.163 4.170 -0.003 0.000 0.302 527 I C 0.956 177.172 176.117 0.165 0.000 1.220 527 I CA 1.104 62.467 61.300 0.106 0.000 1.441 527 I CB -0.541 37.550 38.000 0.153 0.000 1.336 527 I HN 0.201 nan 8.210 nan 0.000 0.565 528 A N 6.861 129.753 122.820 0.121 0.000 2.554 528 A HA 0.501 4.820 4.320 -0.003 0.000 0.203 528 A C -0.313 177.223 177.584 -0.080 0.000 1.559 528 A CA -0.201 51.793 52.037 -0.071 0.000 1.389 528 A CB -0.310 18.593 19.000 -0.161 0.000 1.071 528 A HN 0.630 nan 8.150 nan 0.000 0.521 547 M N 2.110 121.694 119.600 -0.027 0.000 2.563 547 M HA 0.026 4.504 4.480 -0.003 0.000 0.423 547 M C -2.203 174.048 176.300 -0.082 0.000 1.706 547 M CA -0.185 55.081 55.300 -0.057 0.000 1.001 547 M CB -0.348 32.222 32.600 -0.051 0.000 2.123 547 M HN 0.326 nan 8.290 nan 0.000 0.494 548 P HA -0.012 nan 4.420 nan 0.000 0.272 548 P C -0.938 176.264 177.300 -0.164 0.000 1.239 548 P CA 0.016 62.990 63.100 -0.209 0.000 0.807 548 P CB 0.419 31.768 31.700 -0.585 0.000 0.951 549 N N -0.768 117.853 118.700 -0.132 0.000 2.669 549 N HA 0.061 4.799 4.740 -0.003 0.000 0.306 549 N C 1.097 176.549 175.510 -0.096 0.000 1.352 549 N CA -0.754 52.244 53.050 -0.086 0.000 0.886 549 N CB -0.356 38.105 38.487 -0.044 0.000 1.107 549 N HN 0.287 nan 8.380 nan 0.000 0.534 550 Q N -0.566 119.200 119.800 -0.056 0.000 2.197 550 Q HA -0.183 4.155 4.340 -0.003 0.000 0.207 550 Q C 1.647 177.622 176.000 -0.041 0.000 0.984 550 Q CA 1.379 57.156 55.803 -0.044 0.000 0.869 550 Q CB -0.417 28.307 28.738 -0.023 0.000 0.906 550 Q HN 0.712 nan 8.270 nan 0.000 0.426 551 L N 1.518 122.724 121.223 -0.029 0.000 1.963 551 L HA -0.236 4.102 4.340 -0.003 0.000 0.220 551 L C 2.729 179.592 176.870 -0.012 0.000 1.076 551 L CA 2.630 57.478 54.840 0.014 0.000 0.772 551 L CB -0.833 41.267 42.059 0.067 0.000 0.892 551 L HN 0.242 nan 8.230 nan 0.000 0.435 552 R N -0.642 119.742 120.500 -0.193 0.000 2.159 552 R HA -0.156 4.182 4.340 -0.003 0.000 0.237 552 R C 1.338 177.544 176.300 -0.156 0.000 1.131 552 R CA 1.136 57.005 56.100 -0.385 0.000 0.982 552 R CB -0.063 29.702 30.300 -0.892 0.000 0.868 552 R HN 0.244 nan 8.270 nan 0.000 0.453 553 K N 0.389 120.722 120.400 -0.112 0.000 2.569 553 K HA -0.061 4.257 4.320 -0.003 0.000 0.193 553 K C 0.945 177.532 176.600 -0.021 0.000 1.026 553 K CA 0.519 56.769 56.287 -0.061 0.000 1.093 553 K CB 0.401 32.867 32.500 -0.057 0.000 0.849 553 K HN 0.221 nan 8.250 nan 0.000 0.509 554 Q N 0.225 120.025 119.800 0.000 0.000 2.281 554 Q HA 0.157 4.495 4.340 -0.003 0.000 0.215 554 Q C 1.561 177.587 176.000 0.043 0.000 0.867 554 Q CA 0.012 55.829 55.803 0.023 0.000 0.940 554 Q CB 0.320 29.080 28.738 0.036 0.000 1.111 554 Q HN 0.391 nan 8.270 nan 0.000 0.513 555 L N -1.113 120.142 121.223 0.054 0.000 2.217 555 L HA 0.058 4.396 4.340 -0.003 0.000 0.211 555 L C 1.124 178.023 176.870 0.047 0.000 1.107 555 L CA 1.384 56.273 54.840 0.080 0.000 0.783 555 L CB 0.031 42.163 42.059 0.121 0.000 0.919 555 L HN 0.052 nan 8.230 nan 0.000 0.442 556 E N 0.817 121.032 120.200 0.024 0.000 2.274 556 E HA -0.047 4.301 4.350 -0.003 0.000 0.194 556 E C 2.285 178.895 176.600 0.016 0.000 0.996 556 E CA 0.886 57.295 56.400 0.016 0.000 0.840 556 E CB -0.070 29.631 29.700 0.002 0.000 0.772 556 E HN 0.708 nan 8.360 nan 0.000 0.491 557 A N 0.671 123.503 122.820 0.019 0.000 1.968 557 A HA -0.090 4.228 4.320 -0.003 0.000 0.217 557 A C 2.070 179.667 177.584 0.022 0.000 1.169 557 A CA 0.753 52.800 52.037 0.017 0.000 0.638 557 A CB -0.274 18.736 19.000 0.017 0.000 0.812 557 A HN 0.135 nan 8.150 nan 0.000 0.446 558 I N -0.064 120.524 120.570 0.031 0.000 2.286 558 I HA -0.106 4.062 4.170 -0.003 0.000 0.245 558 I C 0.851 176.988 176.117 0.034 0.000 1.104 558 I CA 0.884 62.205 61.300 0.035 0.000 1.397 558 I CB -0.139 37.889 38.000 0.047 0.000 1.072 558 I HN 0.173 nan 8.210 nan 0.000 0.417 559 I N 2.064 122.654 120.570 0.034 0.000 3.205 559 I HA -0.031 4.137 4.170 -0.003 0.000 0.283 559 I C 1.254 177.385 176.117 0.024 0.000 1.157 559 I CA -0.139 61.181 61.300 0.033 0.000 1.675 559 I CB -0.488 37.533 38.000 0.035 0.000 1.241 559 I HN 0.124 nan 8.210 nan 0.000 0.669 560 A N 1.778 124.610 122.820 0.020 0.000 2.503 560 A HA 0.091 4.409 4.320 -0.003 0.000 0.263 560 A C 1.586 179.176 177.584 0.010 0.000 1.360 560 A CA 0.409 52.453 52.037 0.011 0.000 0.969 560 A CB -1.001 18.005 19.000 0.009 0.000 1.000 560 A HN 0.709 nan 8.150 nan 0.000 0.530 561 T N -2.560 112.004 114.554 0.016 0.000 3.757 561 T HA -0.224 4.124 4.350 -0.003 0.000 0.349 561 T C -0.176 174.533 174.700 0.016 0.000 0.760 561 T CA 1.315 63.424 62.100 0.016 0.000 1.833 561 T CB -1.981 66.888 68.868 0.002 0.000 1.881 561 T HN 0.590 nan 8.240 nan 0.000 0.753 562 D N 2.060 122.471 120.400 0.018 0.000 2.468 562 D HA 0.224 4.862 4.640 -0.003 0.000 0.218 562 D C -1.303 175.014 176.300 0.028 0.000 1.155 562 D CA -1.794 52.215 54.000 0.015 0.000 0.924 562 D CB 1.596 42.402 40.800 0.009 0.000 1.029 562 D HN 0.227 nan 8.370 nan 0.000 0.515 563 P HA -0.119 nan 4.420 nan 0.000 0.216 563 P C 1.280 178.605 177.300 0.041 0.000 1.153 563 P CA 0.849 63.977 63.100 0.048 0.000 0.858 563 P CB 0.377 32.106 31.700 0.049 0.000 0.789 564 L N -1.861 119.380 121.223 0.029 0.000 2.645 564 L HA 0.104 4.442 4.340 -0.003 0.000 0.234 564 L C 0.637 177.516 176.870 0.016 0.000 1.165 564 L CA -0.166 54.687 54.840 0.022 0.000 0.944 564 L CB -0.838 41.235 42.059 0.023 0.000 1.149 564 L HN -0.066 nan 8.230 nan 0.000 0.446 565 N N 0.996 119.708 118.700 0.018 0.000 2.462 565 N HA 0.261 4.999 4.740 -0.003 0.000 0.242 565 N C -2.290 173.232 175.510 0.019 0.000 1.010 565 N CA -1.376 51.684 53.050 0.016 0.000 0.939 565 N CB 0.935 39.431 38.487 0.016 0.000 1.127 565 N HN -0.125 nan 8.380 nan 0.000 0.509 566 P HA 0.054 nan 4.420 nan 0.000 0.271 566 P C -0.771 176.541 177.300 0.019 0.000 1.233 566 P CA 0.035 63.144 63.100 0.014 0.000 0.795 566 P CB 0.658 32.364 31.700 0.010 0.000 0.936 567 L N -0.053 121.182 121.223 0.020 0.000 2.342 567 L HA 0.449 4.787 4.340 -0.003 0.000 0.271 567 L C 0.391 177.271 176.870 0.017 0.000 1.008 567 L CA -0.501 54.353 54.840 0.023 0.000 0.818 567 L CB 2.072 44.150 42.059 0.031 0.000 1.296 567 L HN 0.309 nan 8.230 nan 0.000 0.427 568 T N 0.256 114.821 114.554 0.018 0.000 2.944 568 T HA 0.297 4.646 4.350 -0.003 0.000 0.284 568 T C 1.106 175.812 174.700 0.010 0.000 1.010 568 T CA 0.034 62.142 62.100 0.013 0.000 1.025 568 T CB 1.811 70.687 68.868 0.013 0.000 1.079 568 T HN 0.705 nan 8.240 nan 0.000 0.516 569 A N 0.512 123.334 122.820 0.004 0.000 1.986 569 A HA -0.140 4.179 4.320 -0.003 0.000 0.220 569 A C 2.139 179.724 177.584 0.002 0.000 1.171 569 A CA 1.656 53.692 52.037 -0.003 0.000 0.640 569 A CB -0.537 18.459 19.000 -0.008 0.000 0.811 569 A HN 0.885 nan 8.150 nan 0.000 0.451 570 E N 0.008 120.211 120.200 0.006 0.000 2.046 570 E HA -0.189 4.159 4.350 -0.003 0.000 0.190 570 E C 1.493 178.105 176.600 0.020 0.000 0.982 570 E CA 1.446 57.851 56.400 0.008 0.000 0.800 570 E CB -0.186 29.519 29.700 0.009 0.000 0.756 570 E HN 0.642 nan 8.360 nan 0.000 0.449 571 D N 0.596 121.012 120.400 0.026 0.000 2.116 571 D HA -0.176 4.462 4.640 -0.003 0.000 0.193 571 D C 1.998 178.327 176.300 0.049 0.000 0.998 571 D CA 1.602 55.625 54.000 0.039 0.000 0.836 571 D CB 0.015 40.837 40.800 0.036 0.000 0.951 571 D HN 0.119 nan 8.370 nan 0.000 0.449 572 K N 0.439 120.863 120.400 0.041 0.000 2.057 572 K HA -0.124 4.194 4.320 -0.003 0.000 0.207 572 K C 2.096 178.745 176.600 0.081 0.000 1.049 572 K CA 1.021 57.339 56.287 0.051 0.000 0.931 572 K CB -0.082 32.429 32.500 0.018 0.000 0.714 572 K HN 0.233 nan 8.250 nan 0.000 0.440 573 E N 1.142 121.376 120.200 0.056 0.000 2.058 573 E HA -0.200 4.148 4.350 -0.003 0.000 0.194 573 E C 2.109 178.746 176.600 0.060 0.000 0.997 573 E CA 0.906 57.353 56.400 0.077 0.000 0.801 573 E CB -0.131 29.583 29.700 0.023 0.000 0.746 573 E HN 0.216 nan 8.360 nan 0.000 0.450 574 L N 0.624 121.861 121.223 0.023 0.000 1.989 574 L HA -0.233 4.105 4.340 -0.003 0.000 0.211 574 L C 2.349 179.257 176.870 0.064 0.000 1.071 574 L CA 0.839 55.684 54.840 0.007 0.000 0.749 574 L CB -0.161 41.955 42.059 0.094 0.000 0.890 574 L HN 0.206 nan 8.230 nan 0.000 0.431 575 L N -0.511 120.774 121.223 0.105 0.000 2.012 575 L HA -0.319 4.019 4.340 -0.003 0.000 0.210 575 L C 2.163 179.086 176.870 0.089 0.000 1.073 575 L CA 2.040 56.943 54.840 0.105 0.000 0.748 575 L CB -1.479 40.632 42.059 0.087 0.000 0.891 575 L HN 0.568 nan 8.230 nan 0.000 0.431 576 W N -0.399 120.860 121.300 -0.069 0.000 2.379 576 W HA -0.235 4.423 4.660 -0.003 0.000 0.307 576 W C 2.650 179.096 176.519 -0.122 0.000 1.200 576 W CA 1.655 58.938 57.345 -0.104 0.000 1.297 576 W CB -0.506 28.888 29.460 -0.110 0.000 1.140 576 W HN 0.377 nan 8.180 nan 0.000 0.507 577 H N 0.231 119.118 119.070 -0.305 0.000 2.289 577 H HA -0.214 4.340 4.556 -0.003 0.000 0.296 577 H C 0.455 175.478 175.328 -0.509 0.000 1.091 577 H CA 1.959 57.690 56.048 -0.528 0.000 1.274 577 H CB -0.929 28.436 29.762 -0.662 0.000 1.364 577 H HN -0.040 nan 8.280 nan 0.000 0.490 578 F N 1.775 121.705 119.950 -0.033 0.000 2.954 578 F HA 0.243 4.768 4.527 -0.003 0.000 0.300 578 F C 1.771 177.491 175.800 -0.133 0.000 1.206 578 F CA -0.320 57.650 58.000 -0.049 0.000 1.345 578 F CB -0.387 38.639 39.000 0.044 0.000 1.206 578 F HN -0.006 nan 8.300 nan 0.000 0.537 579 R N -0.315 120.073 120.500 -0.186 0.000 2.132 579 R HA -0.242 4.096 4.340 -0.003 0.000 0.233 579 R C 1.551 177.695 176.300 -0.259 0.000 1.125 579 R CA 2.320 58.207 56.100 -0.356 0.000 0.914 579 R CB -0.757 29.084 30.300 -0.765 0.000 0.845 579 R HN 0.315 nan 8.270 nan 0.000 0.431 580 Y N 0.258 120.469 120.300 -0.148 0.000 2.298 580 Y HA -0.231 4.317 4.550 -0.003 0.000 0.287 580 Y C 2.327 178.205 175.900 -0.036 0.000 1.164 580 Y CA 1.306 59.355 58.100 -0.083 0.000 1.229 580 Y CB -0.190 38.223 38.460 -0.077 0.000 0.977 580 Y HN 0.169 nan 8.280 nan 0.000 0.538 581 E N -0.538 119.734 120.200 0.120 0.000 2.170 581 E HA -0.068 4.280 4.350 -0.003 0.000 0.191 581 E C 2.248 178.874 176.600 0.042 0.000 0.981 581 E CA 1.013 57.455 56.400 0.071 0.000 0.830 581 E CB -0.120 29.603 29.700 0.039 0.000 0.775 581 E HN 0.209 nan 8.360 nan 0.000 0.470 582 S N 0.275 115.984 115.700 0.014 0.000 2.406 582 S HA -0.040 4.428 4.470 -0.003 0.000 0.228 582 S C 1.832 176.410 174.600 -0.036 0.000 1.020 582 S CA 0.469 58.658 58.200 -0.017 0.000 0.965 582 S CB -0.181 62.978 63.200 -0.067 0.000 0.798 582 S HN 0.296 nan 8.310 nan 0.000 0.488 583 L N 1.467 122.636 121.223 -0.090 0.000 2.191 583 L HA -0.005 4.333 4.340 -0.003 0.000 0.212 583 L C 1.147 178.132 176.870 0.191 0.000 1.103 583 L CA 1.207 56.011 54.840 -0.061 0.000 0.769 583 L CB -0.186 41.806 42.059 -0.113 0.000 0.908 583 L HN 0.155 nan 8.230 nan 0.000 0.438 584 K N 0.427 120.908 120.400 0.134 0.000 2.706 584 K HA -0.013 4.305 4.320 -0.003 0.000 0.217 584 K C -0.628 176.058 176.600 0.143 0.000 1.019 584 K CA 0.109 56.480 56.287 0.139 0.000 1.181 584 K CB -0.335 32.218 32.500 0.088 0.000 0.940 584 K HN 0.167 nan 8.250 nan 0.000 0.491 585 D N -0.692 119.842 120.400 0.224 0.000 2.300 585 D HA 0.120 4.758 4.640 -0.003 0.000 0.218 585 D C -2.442 174.034 176.300 0.293 0.000 1.326 585 D CA -1.677 52.432 54.000 0.182 0.000 0.942 585 D CB 1.686 42.553 40.800 0.111 0.000 1.495 585 D HN -0.248 nan 8.370 nan 0.000 0.545 586 P HA -0.136 nan 4.420 nan 0.000 0.215 586 P C 0.881 178.285 177.300 0.173 0.000 1.157 586 P CA 1.284 64.397 63.100 0.023 0.000 0.874 586 P CB 0.285 31.894 31.700 -0.151 0.000 0.790 587 K N -1.049 119.412 120.400 0.103 0.000 2.589 587 K HA -0.048 4.270 4.320 -0.003 0.000 0.195 587 K C 1.508 178.185 176.600 0.129 0.000 1.040 587 K CA 0.964 57.307 56.287 0.094 0.000 0.950 587 K CB -0.331 32.191 32.500 0.036 0.000 0.781 587 K HN 0.109 nan 8.250 nan 0.000 0.486 588 A N -0.858 122.080 122.820 0.197 0.000 2.390 588 A HA 0.100 4.418 4.320 -0.003 0.000 0.232 588 A C 0.903 178.537 177.584 0.083 0.000 1.233 588 A CA -0.244 51.869 52.037 0.127 0.000 0.907 588 A CB -0.025 19.024 19.000 0.082 0.000 0.967 588 A HN 0.149 nan 8.150 nan 0.000 0.512 589 Y N 1.044 121.254 120.300 -0.150 0.000 2.128 589 Y HA -0.105 4.444 4.550 -0.003 0.000 0.284 589 Y C -0.387 175.265 175.900 -0.413 0.000 1.154 589 Y CA 2.057 59.892 58.100 -0.441 0.000 1.149 589 Y CB -1.679 36.577 38.460 -0.341 0.000 0.976 589 Y HN 0.285 nan 8.280 nan 0.000 0.505 590 P HA -0.178 nan 4.420 nan 0.000 0.214 590 P C 1.529 178.999 177.300 0.284 0.000 1.163 590 P CA 2.030 65.244 63.100 0.191 0.000 0.883 590 P CB 0.030 31.839 31.700 0.182 0.000 0.788 591 K N -0.668 119.813 120.400 0.135 0.000 2.026 591 K HA -0.129 4.189 4.320 -0.003 0.000 0.208 591 K C 2.074 178.708 176.600 0.056 0.000 1.048 591 K CA 1.060 57.410 56.287 0.104 0.000 0.929 591 K CB -1.515 31.023 32.500 0.063 0.000 0.713 591 K HN 0.127 nan 8.250 nan 0.000 0.439 592 L N 0.810 121.972 121.223 -0.101 0.000 2.012 592 L HA -0.139 4.199 4.340 -0.003 0.000 0.210 592 L C 2.004 178.832 176.870 -0.069 0.000 1.073 592 L CA 1.771 56.488 54.840 -0.205 0.000 0.748 592 L CB -0.691 41.039 42.059 -0.547 0.000 0.891 592 L HN -0.035 nan 8.230 nan 0.000 0.431 593 F N -0.330 119.769 119.950 0.248 0.000 2.661 593 F HA 0.057 4.582 4.527 -0.003 0.000 0.298 593 F C 2.647 178.764 175.800 0.529 0.000 1.137 593 F CA 0.753 59.010 58.000 0.428 0.000 1.454 593 F CB -1.392 37.946 39.000 0.564 0.000 1.103 593 F HN 0.383 nan 8.300 nan 0.000 0.577 594 S N -2.004 113.997 115.700 0.501 0.000 2.593 594 S HA 0.032 4.500 4.470 -0.003 0.000 0.217 594 S C 1.374 176.072 174.600 0.163 0.000 0.966 594 S CA 0.458 58.822 58.200 0.273 0.000 0.914 594 S CB -0.379 62.898 63.200 0.128 0.000 0.776 594 S HN 0.094 nan 8.310 nan 0.000 0.523 595 S N 0.740 116.521 115.700 0.136 0.000 2.554 595 S HA 0.349 4.817 4.470 -0.003 0.000 0.226 595 S C 0.177 174.695 174.600 -0.137 0.000 0.980 595 S CA -0.382 57.836 58.200 0.030 0.000 0.939 595 S CB 0.538 63.790 63.200 0.086 0.000 0.832 595 S HN 0.368 nan 8.310 nan 0.000 0.486 596 V N 2.501 122.290 119.914 -0.208 0.000 2.649 596 V HA 0.217 4.335 4.120 -0.003 0.000 0.292 596 V C 0.259 175.854 176.094 -0.832 0.000 1.055 596 V CA -0.253 61.606 62.300 -0.734 0.000 1.023 596 V CB 1.263 32.392 31.823 -1.158 0.000 0.992 596 V HN 0.173 nan 8.190 nan 0.000 0.480 597 K N 4.295 124.168 120.400 -0.878 0.000 2.180 597 K HA 0.159 4.477 4.320 -0.003 0.000 0.250 597 K C 0.178 176.418 176.600 -0.600 0.000 1.135 597 K CA 0.022 55.959 56.287 -0.584 0.000 1.037 597 K CB 0.181 32.380 32.500 -0.501 0.000 1.624 597 K HN 0.680 nan 8.250 nan 0.000 0.382 598 W N 0.752 121.904 121.300 -0.248 0.000 2.421 598 W HA -0.081 4.577 4.660 -0.003 0.000 0.270 598 W C 1.832 178.110 176.519 -0.402 0.000 1.233 598 W CA 0.388 57.531 57.345 -0.336 0.000 1.226 598 W CB 0.130 29.355 29.460 -0.392 0.000 1.121 598 W HN 0.580 nan 8.180 nan 0.000 0.579 599 G N -0.161 108.541 108.800 -0.162 0.000 3.210 599 G HA2 0.038 3.996 3.960 -0.003 0.000 0.220 599 G HA3 0.038 3.996 3.960 -0.003 0.000 0.220 599 G C 0.192 174.990 174.900 -0.170 0.000 1.200 599 G CA -0.219 44.778 45.100 -0.171 0.000 0.834 599 G HN 0.178 nan 8.290 nan 0.000 0.524 600 Q N -0.378 119.294 119.800 -0.212 0.000 2.337 600 Q HA 0.195 4.533 4.340 -0.003 0.000 0.264 600 Q C 0.687 176.567 176.000 -0.200 0.000 1.007 600 Q CA -0.574 55.114 55.803 -0.193 0.000 0.727 600 Q CB 1.910 30.516 28.738 -0.219 0.000 1.256 600 Q HN 0.182 nan 8.270 nan 0.000 0.467 601 Q N 1.995 121.705 119.800 -0.149 0.000 2.096 601 Q HA -0.279 4.059 4.340 -0.003 0.000 0.208 601 Q C 0.735 176.655 176.000 -0.134 0.000 0.993 601 Q CA 2.565 58.288 55.803 -0.133 0.000 0.862 601 Q CB 0.337 29.023 28.738 -0.086 0.000 0.915 601 Q HN 0.611 nan 8.270 nan 0.000 0.416 602 E N 0.085 120.220 120.200 -0.108 0.000 2.077 602 E HA -0.117 4.231 4.350 -0.003 0.000 0.193 602 E C 1.988 178.532 176.600 -0.094 0.000 0.989 602 E CA 1.472 57.826 56.400 -0.077 0.000 0.800 602 E CB -0.324 29.347 29.700 -0.048 0.000 0.746 602 E HN 0.480 nan 8.360 nan 0.000 0.452 603 I N 0.227 120.696 120.570 -0.168 0.000 2.353 603 I HA -0.203 3.965 4.170 -0.003 0.000 0.248 603 I C 1.913 177.856 176.117 -0.290 0.000 1.119 603 I CA 0.572 61.732 61.300 -0.234 0.000 1.417 603 I CB -0.048 37.659 38.000 -0.487 0.000 1.078 603 I HN 0.003 nan 8.210 nan 0.000 0.421 604 V N 1.135 120.831 119.914 -0.363 0.000 2.392 604 V HA -0.316 3.802 4.120 -0.003 0.000 0.249 604 V C 2.720 178.542 176.094 -0.453 0.000 1.059 604 V CA 1.880 63.900 62.300 -0.465 0.000 1.051 604 V CB -1.084 30.494 31.823 -0.408 0.000 0.658 604 V HN 0.495 nan 8.190 nan 0.000 0.455 605 A N 0.383 123.050 122.820 -0.256 0.000 1.883 605 A HA -0.268 4.050 4.320 -0.003 0.000 0.217 605 A C 2.287 179.878 177.584 0.012 0.000 1.186 605 A CA 2.170 54.143 52.037 -0.107 0.000 0.624 605 A CB -0.442 18.534 19.000 -0.041 0.000 0.822 605 A HN 0.589 nan 8.150 nan 0.000 0.444 606 K N -0.919 119.513 120.400 0.055 0.000 2.148 606 K HA -0.067 4.251 4.320 -0.003 0.000 0.204 606 K C 2.004 178.697 176.600 0.155 0.000 1.050 606 K CA 1.520 57.891 56.287 0.140 0.000 0.942 606 K CB -0.467 32.172 32.500 0.231 0.000 0.724 606 K HN 0.453 nan 8.250 nan 0.000 0.446 607 T N 0.856 115.499 114.554 0.148 0.000 2.746 607 T HA -0.141 4.207 4.350 -0.003 0.000 0.267 607 T C 1.407 176.261 174.700 0.256 0.000 1.039 607 T CA 1.169 63.373 62.100 0.172 0.000 1.142 607 T CB -0.252 68.627 68.868 0.018 0.000 0.866 607 T HN 0.152 nan 8.240 nan 0.000 0.444 608 Y N 1.948 122.279 120.300 0.052 0.000 2.574 608 Y HA 0.039 4.587 4.550 -0.003 0.000 0.294 608 Y C 2.422 178.347 175.900 0.042 0.000 1.142 608 Y CA -0.084 58.041 58.100 0.042 0.000 1.314 608 Y CB -0.703 37.788 38.460 0.051 0.000 0.991 608 Y HN 0.428 nan 8.280 nan 0.000 0.555 609 Q N -0.812 119.112 119.800 0.205 0.000 2.165 609 Q HA -0.027 4.311 4.340 -0.003 0.000 0.197 609 Q C 2.274 178.341 176.000 0.111 0.000 0.952 609 Q CA 0.449 56.338 55.803 0.143 0.000 0.848 609 Q CB -0.177 28.643 28.738 0.137 0.000 0.931 609 Q HN 0.368 nan 8.270 nan 0.000 0.470 610 L N 0.722 121.979 121.223 0.057 0.000 2.129 610 L HA -0.205 4.133 4.340 -0.003 0.000 0.212 610 L C 2.004 178.891 176.870 0.028 0.000 1.087 610 L CA 1.045 55.852 54.840 -0.055 0.000 0.757 610 L CB -0.108 41.857 42.059 -0.157 0.000 0.896 610 L HN 0.307 nan 8.230 nan 0.000 0.434 611 L N -1.564 119.702 121.223 0.071 0.000 2.270 611 L HA -0.038 4.300 4.340 -0.003 0.000 0.210 611 L C 2.754 179.660 176.870 0.060 0.000 1.104 611 L CA 0.532 55.405 54.840 0.055 0.000 0.804 611 L CB -0.598 41.461 42.059 -0.001 0.000 0.937 611 L HN 0.186 nan 8.230 nan 0.000 0.450 612 A N 0.520 123.381 122.820 0.068 0.000 1.958 612 A HA -0.200 4.118 4.320 -0.003 0.000 0.221 612 A C 1.269 178.901 177.584 0.080 0.000 1.178 612 A CA 1.518 53.594 52.037 0.066 0.000 0.642 612 A CB -0.310 18.737 19.000 0.079 0.000 0.816 612 A HN 0.327 nan 8.150 nan 0.000 0.453 613 K N 0.063 120.524 120.400 0.102 0.000 2.423 613 K HA 0.312 4.630 4.320 -0.003 0.000 0.234 613 K C -0.513 176.175 176.600 0.147 0.000 1.051 613 K CA -0.182 56.174 56.287 0.116 0.000 1.021 613 K CB 0.963 33.536 32.500 0.123 0.000 1.474 613 K HN 0.215 nan 8.250 nan 0.000 0.474 614 R N 2.041 122.639 120.500 0.163 0.000 4.394 614 R HA 0.035 4.373 4.340 -0.003 0.000 0.257 614 R C 0.629 177.078 176.300 0.248 0.000 1.727 614 R CA -0.150 56.099 56.100 0.248 0.000 1.497 614 R CB 0.166 30.629 30.300 0.271 0.000 1.406 614 R HN 0.440 nan 8.270 nan 0.000 0.745 615 E N 0.489 120.804 120.200 0.192 0.000 2.001 615 E HA -0.151 4.197 4.350 -0.003 0.000 0.195 615 E C 1.970 178.661 176.600 0.152 0.000 1.002 615 E CA 1.402 57.889 56.400 0.145 0.000 0.819 615 E CB -0.299 29.469 29.700 0.112 0.000 0.769 615 E HN 0.132 nan 8.360 nan 0.000 0.454 616 V N 1.145 121.166 119.914 0.178 0.000 2.439 616 V HA -0.259 3.859 4.120 -0.003 0.000 0.253 616 V C 2.164 178.340 176.094 0.137 0.000 1.074 616 V CA 2.055 64.448 62.300 0.156 0.000 1.076 616 V CB -0.699 31.250 31.823 0.209 0.000 0.664 616 V HN 0.381 nan 8.190 nan 0.000 0.461 617 W N 1.320 122.635 121.300 0.025 0.000 2.488 617 W HA -0.077 4.581 4.660 -0.003 0.000 0.304 617 W C 2.066 178.551 176.519 -0.056 0.000 1.175 617 W CA 1.571 58.865 57.345 -0.086 0.000 1.365 617 W CB -0.187 29.244 29.460 -0.049 0.000 1.131 617 W HN 0.344 nan 8.180 nan 0.000 0.520 618 D N 0.312 120.796 120.400 0.139 0.000 2.182 618 D HA -0.215 4.423 4.640 -0.003 0.000 0.201 618 D C 2.056 178.313 176.300 -0.070 0.000 0.986 618 D CA 1.600 55.620 54.000 0.033 0.000 0.847 618 D CB -0.393 40.472 40.800 0.107 0.000 0.942 618 D HN 0.338 nan 8.370 nan 0.000 0.467 619 Q N 0.015 119.782 119.800 -0.055 0.000 2.354 619 Q HA 0.076 4.414 4.340 -0.003 0.000 0.203 619 Q C 0.534 176.456 176.000 -0.130 0.000 0.933 619 Q CA 0.043 55.805 55.803 -0.069 0.000 0.901 619 Q CB 0.328 29.051 28.738 -0.025 0.000 1.007 619 Q HN 0.203 nan 8.270 nan 0.000 0.495 620 S N 0.418 115.992 115.700 -0.210 0.000 2.573 620 S HA 0.404 4.872 4.470 -0.003 0.000 0.277 620 S C 0.137 174.558 174.600 -0.299 0.000 1.346 620 S CA -0.576 57.463 58.200 -0.269 0.000 1.034 620 S CB 1.087 64.050 63.200 -0.395 0.000 0.879 620 S HN 0.237 nan 8.310 nan 0.000 0.528 621 A N 1.893 124.568 122.820 -0.241 0.000 2.340 621 A HA 0.535 4.853 4.320 -0.003 0.000 0.268 621 A C 0.122 177.545 177.584 -0.268 0.000 1.100 621 A CA -0.766 51.147 52.037 -0.207 0.000 0.803 621 A CB 0.025 18.941 19.000 -0.140 0.000 1.043 621 A HN 1.010 nan 8.150 nan 0.000 0.488 622 L N 1.298 122.383 121.223 -0.230 0.000 2.573 622 L HA 0.152 4.490 4.340 -0.003 0.000 0.290 622 L C -0.310 176.441 176.870 -0.199 0.000 1.247 622 L CA 1.104 55.804 54.840 -0.233 0.000 0.876 622 L CB 0.195 42.166 42.059 -0.147 0.000 1.123 622 L HN 0.702 nan 8.230 nan 0.000 0.505 623 D N 3.153 123.425 120.400 -0.213 0.000 2.478 623 D HA 0.169 4.808 4.640 -0.003 0.000 0.240 623 D C 0.598 176.808 176.300 -0.150 0.000 1.364 623 D CA -0.395 53.511 54.000 -0.157 0.000 0.987 623 D CB 1.379 42.081 40.800 -0.164 0.000 1.328 623 D HN 0.307 nan 8.370 nan 0.000 0.584 624 V N 3.372 123.184 119.914 -0.171 0.000 2.343 624 V HA -0.078 4.040 4.120 -0.003 0.000 0.247 624 V C 2.514 178.493 176.094 -0.193 0.000 1.051 624 V CA 2.294 64.432 62.300 -0.271 0.000 1.036 624 V CB -0.576 30.906 31.823 -0.569 0.000 0.654 624 V HN 0.669 nan 8.190 nan 0.000 0.451 625 G N -0.471 108.258 108.800 -0.117 0.000 2.476 625 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.218 625 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.218 625 G C 1.646 176.529 174.900 -0.028 0.000 1.164 625 G CA 1.192 46.261 45.100 -0.051 0.000 0.768 625 G HN 0.444 nan 8.290 nan 0.000 0.560 626 L N 0.313 121.522 121.223 -0.024 0.000 2.027 626 L HA -0.067 4.271 4.340 -0.003 0.000 0.206 626 L C 3.103 180.005 176.870 0.053 0.000 1.074 626 L CA 1.913 56.773 54.840 0.032 0.000 0.745 626 L CB -0.577 41.506 42.059 0.039 0.000 0.898 626 L HN 0.249 nan 8.230 nan 0.000 0.433 627 T N 0.172 114.738 114.554 0.019 0.000 2.720 627 T HA -0.223 4.125 4.350 -0.003 0.000 0.268 627 T C 1.956 176.640 174.700 -0.028 0.000 1.037 627 T CA 1.539 63.651 62.100 0.021 0.000 1.144 627 T CB -0.129 68.707 68.868 -0.053 0.000 0.864 627 T HN 0.218 nan 8.240 nan 0.000 0.444 628 M N 1.415 120.985 119.600 -0.050 0.000 2.159 628 M HA -0.074 4.404 4.480 -0.003 0.000 0.263 628 M C 2.335 178.636 176.300 0.001 0.000 1.063 628 M CA 1.482 56.767 55.300 -0.025 0.000 1.110 628 M CB -1.232 31.352 32.600 -0.027 0.000 1.374 628 M HN 0.401 nan 8.290 nan 0.000 0.411 629 Q N 0.214 120.016 119.800 0.004 0.000 2.170 629 Q HA -0.076 4.262 4.340 -0.003 0.000 0.203 629 Q C 2.054 178.035 176.000 -0.032 0.000 0.976 629 Q CA 0.998 56.824 55.803 0.038 0.000 0.858 629 Q CB -0.317 28.462 28.738 0.068 0.000 0.907 629 Q HN 0.491 nan 8.270 nan 0.000 0.433 630 L N 0.201 121.311 121.223 -0.189 0.000 2.465 630 L HA -0.063 4.275 4.340 -0.003 0.000 0.224 630 L C 1.609 178.347 176.870 -0.220 0.000 1.145 630 L CA 0.492 55.043 54.840 -0.482 0.000 0.834 630 L CB 0.003 41.849 42.059 -0.355 0.000 0.944 630 L HN 0.258 nan 8.230 nan 0.000 0.451 631 L N -0.544 120.654 121.223 -0.042 0.000 2.640 631 L HA 0.072 4.410 4.340 -0.003 0.000 0.230 631 L C 0.717 177.660 176.870 0.123 0.000 1.123 631 L CA -0.487 54.385 54.840 0.053 0.000 0.900 631 L CB -0.274 41.825 42.059 0.067 0.000 1.146 631 L HN 0.283 nan 8.230 nan 0.000 0.484 632 D N -0.823 119.593 120.400 0.026 0.000 2.440 632 D HA -0.046 4.592 4.640 -0.003 0.000 0.269 632 D C 1.472 177.410 176.300 -0.604 0.000 1.249 632 D CA -0.298 53.475 54.000 -0.379 0.000 1.055 632 D CB 0.296 40.917 40.800 -0.298 0.000 1.104 632 D HN 0.144 nan 8.370 nan 0.000 0.561 633 C N -1.704 116.952 119.300 -1.073 0.000 2.430 633 C HA 0.053 4.511 4.460 -0.003 0.000 0.288 633 C C 1.625 176.378 174.990 -0.394 0.000 1.448 633 C CA 0.029 58.657 59.018 -0.650 0.000 1.784 633 C CB -1.989 25.433 27.740 -0.531 0.000 1.776 633 C HN 0.510 nan 8.230 nan 0.000 0.547 634 N N -0.408 118.056 118.700 -0.393 0.000 2.467 634 N HA 0.172 4.910 4.740 -0.003 0.000 0.184 634 N C -0.607 174.304 175.510 -0.999 0.000 1.106 634 N CA 0.560 53.223 53.050 -0.645 0.000 0.892 634 N CB 0.024 38.059 38.487 -0.754 0.000 0.969 634 N HN 0.555 nan 8.380 nan 0.000 0.454 635 F N -0.990 118.797 119.950 -0.271 0.000 2.499 635 F HA 0.388 4.913 4.527 -0.003 0.000 0.333 635 F C 0.619 176.134 175.800 -0.474 0.000 1.138 635 F CA -0.918 56.865 58.000 -0.361 0.000 0.945 635 F CB 1.928 40.798 39.000 -0.217 0.000 1.181 635 F HN -0.212 nan 8.300 nan 0.000 0.435 636 S N -0.007 115.281 115.700 -0.686 0.000 2.524 636 S HA -0.025 4.443 4.470 -0.003 0.000 0.215 636 S C 0.009 174.312 174.600 -0.495 0.000 0.986 636 S CA -0.254 57.514 58.200 -0.721 0.000 0.911 636 S CB -0.224 62.185 63.200 -1.318 0.000 0.805 636 S HN 0.711 nan 8.310 nan 0.000 0.501 637 D N 2.071 122.186 120.400 -0.475 0.000 2.343 637 D HA 0.082 4.720 4.640 -0.003 0.000 0.255 637 D C 1.108 177.358 176.300 -0.083 0.000 1.187 637 D CA -0.003 53.886 54.000 -0.185 0.000 0.875 637 D CB 0.731 41.352 40.800 -0.297 0.000 1.136 637 D HN 0.184 nan 8.370 nan 0.000 0.469 638 E N 3.124 123.323 120.200 -0.003 0.000 2.085 638 E HA -0.301 4.047 4.350 -0.003 0.000 0.194 638 E C 0.973 177.538 176.600 -0.058 0.000 0.994 638 E CA 1.289 57.678 56.400 -0.018 0.000 0.801 638 E CB 0.120 29.815 29.700 -0.008 0.000 0.743 638 E HN 0.511 nan 8.360 nan 0.000 0.453 639 N N 0.213 118.864 118.700 -0.082 0.000 2.188 639 N HA -0.123 4.615 4.740 -0.003 0.000 0.184 639 N C 1.911 177.315 175.510 -0.177 0.000 1.018 639 N CA 1.056 54.009 53.050 -0.161 0.000 0.858 639 N CB -0.317 37.970 38.487 -0.333 0.000 0.989 639 N HN 0.084 nan 8.380 nan 0.000 0.426 640 V N 1.600 121.404 119.914 -0.185 0.000 2.295 640 V HA -0.178 3.940 4.120 -0.003 0.000 0.246 640 V C 2.596 178.544 176.094 -0.244 0.000 1.049 640 V CA 1.532 63.635 62.300 -0.329 0.000 1.024 640 V CB -0.408 31.204 31.823 -0.352 0.000 0.648 640 V HN 0.296 nan 8.190 nan 0.000 0.447 641 R N 0.215 120.618 120.500 -0.161 0.000 2.115 641 R HA -0.092 4.246 4.340 -0.003 0.000 0.230 641 R C 2.144 178.395 176.300 -0.083 0.000 1.111 641 R CA 1.436 57.469 56.100 -0.112 0.000 0.976 641 R CB -0.362 29.901 30.300 -0.061 0.000 0.870 641 R HN 0.475 nan 8.270 nan 0.000 0.445 642 A N 1.681 124.455 122.820 -0.078 0.000 2.015 642 A HA -0.088 4.230 4.320 -0.003 0.000 0.219 642 A C 2.099 179.660 177.584 -0.038 0.000 1.163 642 A CA 1.292 53.300 52.037 -0.048 0.000 0.646 642 A CB -0.591 18.381 19.000 -0.046 0.000 0.806 642 A HN 0.622 nan 8.150 nan 0.000 0.448 643 I N -3.893 116.636 120.570 -0.068 0.000 2.876 643 I HA 0.138 4.306 4.170 -0.003 0.000 0.264 643 I C 2.162 178.346 176.117 0.112 0.000 1.204 643 I CA 1.051 62.352 61.300 0.001 0.000 1.485 643 I CB -0.310 37.592 38.000 -0.163 0.000 1.103 643 I HN 0.138 nan 8.210 nan 0.000 0.446 644 A N 1.765 124.593 122.820 0.013 0.000 1.872 644 A HA -0.021 4.297 4.320 -0.003 0.000 0.214 644 A C 2.327 179.899 177.584 -0.020 0.000 1.187 644 A CA 1.737 53.810 52.037 0.059 0.000 0.614 644 A CB -0.992 17.987 19.000 -0.035 0.000 0.826 644 A HN 0.310 nan 8.150 nan 0.000 0.442 645 V N -0.014 119.853 119.914 -0.078 0.000 2.594 645 V HA -0.284 3.834 4.120 -0.003 0.000 0.253 645 V C 2.566 178.552 176.094 -0.180 0.000 1.069 645 V CA 2.119 64.307 62.300 -0.188 0.000 1.082 645 V CB -0.859 30.888 31.823 -0.128 0.000 0.680 645 V HN 0.666 nan 8.190 nan 0.000 0.469 646 Q N -0.237 119.540 119.800 -0.038 0.000 2.084 646 Q HA -0.236 4.102 4.340 -0.003 0.000 0.202 646 Q C 2.286 178.280 176.000 -0.011 0.000 0.978 646 Q CA 1.564 57.374 55.803 0.011 0.000 0.844 646 Q CB -0.007 28.784 28.738 0.088 0.000 0.898 646 Q HN 0.410 nan 8.270 nan 0.000 0.426 647 K N 0.141 120.543 120.400 0.002 0.000 2.097 647 K HA -0.052 4.267 4.320 -0.003 0.000 0.205 647 K C 1.734 178.258 176.600 -0.127 0.000 1.050 647 K CA 0.830 57.077 56.287 -0.066 0.000 0.938 647 K CB -0.137 32.325 32.500 -0.064 0.000 0.718 647 K HN 0.189 nan 8.250 nan 0.000 0.442 648 L N 0.865 121.946 121.223 -0.237 0.000 2.127 648 L HA -0.203 4.135 4.340 -0.003 0.000 0.211 648 L C 1.982 178.739 176.870 -0.189 0.000 1.089 648 L CA 1.100 55.719 54.840 -0.367 0.000 0.757 648 L CB -0.470 41.033 42.059 -0.926 0.000 0.899 648 L HN 0.245 nan 8.230 nan 0.000 0.434 649 E N -0.269 119.858 120.200 -0.122 0.000 2.187 649 E HA -0.279 4.069 4.350 -0.003 0.000 0.199 649 E C 2.294 178.981 176.600 0.144 0.000 1.004 649 E CA 1.694 58.187 56.400 0.155 0.000 0.813 649 E CB -0.267 29.496 29.700 0.106 0.000 0.736 649 E HN 0.410 nan 8.360 nan 0.000 0.468 650 S N 0.053 115.786 115.700 0.056 0.000 2.447 650 S HA -0.072 4.396 4.470 -0.003 0.000 0.233 650 S C 1.068 175.712 174.600 0.073 0.000 1.006 650 S CA -0.012 58.213 58.200 0.042 0.000 0.957 650 S CB -0.156 63.035 63.200 -0.016 0.000 0.773 650 S HN 0.107 nan 8.310 nan 0.000 0.507 651 L N 3.122 124.414 121.223 0.115 0.000 2.513 651 L HA 0.144 4.482 4.340 -0.003 0.000 0.272 651 L C 0.614 177.575 176.870 0.152 0.000 1.187 651 L CA -0.309 54.621 54.840 0.150 0.000 0.895 651 L CB 0.356 42.546 42.059 0.217 0.000 1.147 651 L HN 0.500 nan 8.230 nan 0.000 0.483 652 E N 1.850 122.124 120.200 0.123 0.000 2.349 652 E HA 0.044 4.392 4.350 -0.003 0.000 0.265 652 E C -0.102 176.563 176.600 0.108 0.000 1.064 652 E CA -0.847 55.615 56.400 0.104 0.000 0.886 652 E CB 0.971 30.724 29.700 0.088 0.000 1.036 652 E HN 0.463 nan 8.360 nan 0.000 0.413 653 D N 1.940 122.391 120.400 0.085 0.000 2.192 653 D HA -0.274 4.364 4.640 -0.003 0.000 0.189 653 D C 1.275 177.596 176.300 0.035 0.000 1.007 653 D CA 2.134 56.168 54.000 0.058 0.000 0.859 653 D CB -0.358 40.475 40.800 0.055 0.000 0.936 653 D HN 0.752 nan 8.370 nan 0.000 0.447 654 D N -0.323 120.126 120.400 0.082 0.000 2.221 654 D HA -0.136 4.502 4.640 -0.003 0.000 0.204 654 D C 1.268 177.494 176.300 -0.123 0.000 0.982 654 D CA 1.083 55.123 54.000 0.067 0.000 0.857 654 D CB 0.072 40.998 40.800 0.210 0.000 0.934 654 D HN 0.114 nan 8.370 nan 0.000 0.475 655 D N -0.979 119.456 120.400 0.059 0.000 2.240 655 D HA -0.029 4.609 4.640 -0.003 0.000 0.206 655 D C 2.195 178.608 176.300 0.188 0.000 0.963 655 D CA 0.221 54.335 54.000 0.191 0.000 0.863 655 D CB 0.044 41.020 40.800 0.294 0.000 0.973 655 D HN 0.136 nan 8.370 nan 0.000 0.501 656 V N 1.242 121.241 119.914 0.142 0.000 2.407 656 V HA -0.195 3.923 4.120 -0.003 0.000 0.248 656 V C 2.562 178.699 176.094 0.071 0.000 1.055 656 V CA 1.085 63.489 62.300 0.174 0.000 1.049 656 V CB -0.355 31.541 31.823 0.122 0.000 0.662 656 V HN 0.182 nan 8.190 nan 0.000 0.455 657 L N -0.849 120.321 121.223 -0.088 0.000 2.141 657 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 657 L C 2.409 179.137 176.870 -0.237 0.000 1.094 657 L CA 1.672 56.398 54.840 -0.190 0.000 0.763 657 L CB -0.665 41.214 42.059 -0.300 0.000 0.908 657 L HN 0.450 nan 8.230 nan 0.000 0.437 658 H N -2.404 116.571 119.070 -0.158 0.000 2.428 658 H HA -0.110 4.444 4.556 -0.003 0.000 0.296 658 H C 1.202 176.219 175.328 -0.518 0.000 1.062 658 H CA 1.323 57.128 56.048 -0.404 0.000 1.350 658 H CB 0.178 29.558 29.762 -0.636 0.000 1.403 658 H HN 0.285 nan 8.280 nan 0.000 0.533 659 Y N -0.956 119.405 120.300 0.102 0.000 2.444 659 Y HA 0.057 4.605 4.550 -0.003 0.000 0.249 659 Y C 1.790 177.721 175.900 0.051 0.000 1.134 659 Y CA -0.343 57.793 58.100 0.061 0.000 1.261 659 Y CB 0.134 38.639 38.460 0.076 0.000 1.143 659 Y HN 0.083 nan 8.280 nan 0.000 0.523 660 L N 0.411 121.737 121.223 0.172 0.000 2.010 660 L HA -0.272 4.066 4.340 -0.003 0.000 0.219 660 L C 2.248 179.202 176.870 0.140 0.000 1.077 660 L CA 1.778 56.736 54.840 0.196 0.000 0.773 660 L CB -0.920 41.278 42.059 0.232 0.000 0.892 660 L HN 0.314 nan 8.230 nan 0.000 0.436 661 L N -0.658 120.541 121.223 -0.039 0.000 2.012 661 L HA -0.269 4.069 4.340 -0.003 0.000 0.210 661 L C 2.449 179.186 176.870 -0.221 0.000 1.073 661 L CA 1.986 56.567 54.840 -0.432 0.000 0.748 661 L CB -0.737 40.861 42.059 -0.767 0.000 0.891 661 L HN 0.440 nan 8.230 nan 0.000 0.431 662 Q N -0.782 118.962 119.800 -0.093 0.000 2.167 662 Q HA -0.070 4.268 4.340 -0.003 0.000 0.202 662 Q C 2.187 178.198 176.000 0.019 0.000 0.970 662 Q CA 1.487 57.269 55.803 -0.036 0.000 0.855 662 Q CB -0.355 28.404 28.738 0.035 0.000 0.911 662 Q HN 0.509 nan 8.270 nan 0.000 0.438 663 L N -0.708 120.563 121.223 0.079 0.000 2.093 663 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 663 L C 2.050 178.974 176.870 0.091 0.000 1.085 663 L CA 0.592 55.500 54.840 0.113 0.000 0.755 663 L CB -0.354 41.822 42.059 0.195 0.000 0.904 663 L HN 0.111 nan 8.230 nan 0.000 0.435 664 V N -0.528 119.430 119.914 0.073 0.000 2.358 664 V HA -0.237 3.882 4.120 -0.003 0.000 0.246 664 V C 2.521 178.619 176.094 0.006 0.000 1.047 664 V CA 1.422 63.768 62.300 0.076 0.000 1.035 664 V CB -0.405 31.447 31.823 0.047 0.000 0.658 664 V HN 0.484 nan 8.190 nan 0.000 0.452 665 Q N -0.134 119.601 119.800 -0.109 0.000 2.224 665 Q HA -0.052 4.286 4.340 -0.003 0.000 0.203 665 Q C 2.330 178.126 176.000 -0.340 0.000 0.970 665 Q CA 1.554 57.229 55.803 -0.214 0.000 0.865 665 Q CB -0.532 28.060 28.738 -0.242 0.000 0.922 665 Q HN 0.648 nan 8.270 nan 0.000 0.445 666 A N 0.520 123.233 122.820 -0.178 0.000 2.121 666 A HA -0.047 4.271 4.320 -0.003 0.000 0.218 666 A C 2.286 179.761 177.584 -0.181 0.000 1.154 666 A CA 0.634 52.582 52.037 -0.148 0.000 0.679 666 A CB -0.365 18.712 19.000 0.129 0.000 0.795 666 A HN 0.179 nan 8.150 nan 0.000 0.458 667 V N 0.208 120.047 119.914 -0.124 0.000 2.720 667 V HA -0.256 3.862 4.120 -0.003 0.000 0.256 667 V C 2.232 178.150 176.094 -0.294 0.000 1.082 667 V CA 2.133 64.361 62.300 -0.121 0.000 1.101 667 V CB -0.622 31.178 31.823 -0.038 0.000 0.693 667 V HN 0.572 nan 8.190 nan 0.000 0.479 668 K N -0.613 119.457 120.400 -0.550 0.000 2.283 668 K HA -0.072 4.246 4.320 -0.003 0.000 0.202 668 K C 1.580 177.905 176.600 -0.457 0.000 1.048 668 K CA 1.149 56.923 56.287 -0.855 0.000 0.948 668 K CB -0.141 31.609 32.500 -1.249 0.000 0.742 668 K HN 0.457 nan 8.250 nan 0.000 0.458 669 F N 1.581 121.451 119.950 -0.134 0.000 2.776 669 F HA 0.111 4.636 4.527 -0.003 0.000 0.300 669 F C 0.697 176.449 175.800 -0.080 0.000 1.116 669 F CA -0.167 57.780 58.000 -0.088 0.000 1.375 669 F CB -0.096 38.862 39.000 -0.070 0.000 1.109 669 F HN -0.202 nan 8.300 nan 0.000 0.585 670 E N 1.816 122.051 120.200 0.058 0.000 2.360 670 E HA 0.051 4.399 4.350 -0.003 0.000 0.269 670 E C -1.502 175.080 176.600 -0.030 0.000 1.022 670 E CA -1.325 55.091 56.400 0.027 0.000 0.887 670 E CB 0.735 30.453 29.700 0.029 0.000 0.990 670 E HN 0.063 nan 8.360 nan 0.000 0.426 671 P HA -0.064 nan 4.420 nan 0.000 0.217 671 P C -0.363 176.628 177.300 -0.515 0.000 1.151 671 P CA 1.264 64.179 63.100 -0.309 0.000 0.828 671 P CB 0.170 31.661 31.700 -0.349 0.000 0.788 672 Y N -2.376 117.849 120.300 -0.124 0.000 2.509 672 Y HA 0.266 4.814 4.550 -0.003 0.000 0.341 672 Y C 2.057 177.869 175.900 -0.146 0.000 1.038 672 Y CA -0.794 57.193 58.100 -0.189 0.000 1.089 672 Y CB 0.517 38.921 38.460 -0.094 0.000 1.241 672 Y HN -0.093 nan 8.280 nan 0.000 0.468 673 H N -0.330 118.832 119.070 0.154 0.000 2.390 673 H HA -0.133 4.422 4.556 -0.003 0.000 0.298 673 H C -0.022 175.358 175.328 0.087 0.000 1.106 673 H CA 1.520 57.609 56.048 0.068 0.000 1.297 673 H CB -0.024 29.762 29.762 0.039 0.000 1.375 673 H HN 0.551 nan 8.280 nan 0.000 0.509 674 D N 0.671 121.222 120.400 0.251 0.000 2.233 674 D HA 0.298 4.936 4.640 -0.003 0.000 0.240 674 D C -0.496 175.898 176.300 0.156 0.000 1.074 674 D CA -0.435 53.678 54.000 0.188 0.000 0.838 674 D CB 1.012 41.938 40.800 0.210 0.000 1.124 674 D HN 0.243 nan 8.370 nan 0.000 0.475 675 S N 1.586 117.359 115.700 0.121 0.000 2.625 675 S HA 0.642 5.110 4.470 -0.003 0.000 0.271 675 S C 0.776 175.434 174.600 0.097 0.000 1.161 675 S CA -0.376 57.886 58.200 0.103 0.000 0.820 675 S CB 1.063 64.322 63.200 0.098 0.000 1.137 675 S HN 0.360 nan 8.310 nan 0.000 0.470 676 A N 0.132 123.001 122.820 0.083 0.000 2.019 676 A HA 0.055 4.373 4.320 -0.003 0.000 0.219 676 A C 1.879 179.540 177.584 0.128 0.000 1.164 676 A CA 1.608 53.699 52.037 0.090 0.000 0.644 676 A CB -0.814 18.219 19.000 0.055 0.000 0.805 676 A HN 0.966 nan 8.150 nan 0.000 0.449 677 L N -0.778 120.512 121.223 0.113 0.000 2.131 677 L HA 0.179 4.517 4.340 -0.003 0.000 0.206 677 L C 2.567 179.550 176.870 0.188 0.000 1.087 677 L CA 1.830 56.761 54.840 0.152 0.000 0.767 677 L CB -0.693 41.426 42.059 0.101 0.000 0.917 677 L HN 0.275 nan 8.230 nan 0.000 0.441 678 A N -0.110 122.790 122.820 0.134 0.000 1.933 678 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 678 A C 2.399 180.058 177.584 0.126 0.000 1.175 678 A CA 1.696 53.803 52.037 0.117 0.000 0.628 678 A CB -0.497 18.558 19.000 0.090 0.000 0.814 678 A HN 0.501 nan 8.150 nan 0.000 0.444 679 R N -2.029 118.552 120.500 0.135 0.000 2.073 679 R HA -0.062 4.276 4.340 -0.003 0.000 0.229 679 R C 2.042 178.431 176.300 0.149 0.000 1.120 679 R CA 1.404 57.578 56.100 0.125 0.000 0.967 679 R CB -0.576 29.792 30.300 0.114 0.000 0.862 679 R HN 0.574 nan 8.270 nan 0.000 0.436 680 F N 2.059 122.041 119.950 0.054 0.000 2.095 680 F HA -0.188 4.337 4.527 -0.003 0.000 0.298 680 F C 1.950 177.786 175.800 0.060 0.000 1.104 680 F CA 1.473 59.506 58.000 0.054 0.000 1.232 680 F CB -0.333 38.699 39.000 0.053 0.000 0.987 680 F HN -0.116 nan 8.300 nan 0.000 0.475 681 L N -0.329 120.918 121.223 0.040 0.000 2.046 681 L HA -0.249 4.089 4.340 -0.003 0.000 0.208 681 L C 2.651 179.473 176.870 -0.079 0.000 1.077 681 L CA 1.215 56.019 54.840 -0.060 0.000 0.747 681 L CB -0.877 41.230 42.059 0.080 0.000 0.896 681 L HN 0.292 nan 8.230 nan 0.000 0.432 682 L N 0.024 121.250 121.223 0.003 0.000 1.989 682 L HA -0.290 4.048 4.340 -0.003 0.000 0.211 682 L C 2.762 179.653 176.870 0.034 0.000 1.071 682 L CA 1.791 56.664 54.840 0.054 0.000 0.749 682 L CB -0.206 41.898 42.059 0.075 0.000 0.890 682 L HN 0.281 nan 8.230 nan 0.000 0.431 683 K N -0.751 119.634 120.400 -0.026 0.000 1.991 683 K HA -0.185 4.134 4.320 -0.003 0.000 0.212 683 K C 2.036 178.582 176.600 -0.089 0.000 1.049 683 K CA 1.317 57.575 56.287 -0.049 0.000 0.932 683 K CB -0.189 32.280 32.500 -0.051 0.000 0.717 683 K HN 0.210 nan 8.250 nan 0.000 0.441 684 R N 0.159 120.521 120.500 -0.230 0.000 2.152 684 R HA -0.071 4.267 4.340 -0.003 0.000 0.232 684 R C 2.271 178.529 176.300 -0.070 0.000 1.117 684 R CA 1.329 57.303 56.100 -0.211 0.000 0.981 684 R CB -1.045 29.002 30.300 -0.421 0.000 0.870 684 R HN 0.430 nan 8.270 nan 0.000 0.451 685 G N 0.386 109.162 108.800 -0.041 0.000 2.408 685 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.215 685 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.215 685 G C 1.522 176.594 174.900 0.287 0.000 1.156 685 G CA -0.066 45.060 45.100 0.045 0.000 0.793 685 G HN 0.203 nan 8.290 nan 0.000 0.535 686 L N -0.133 121.221 121.223 0.218 0.000 2.291 686 L HA 0.104 4.442 4.340 -0.003 0.000 0.214 686 L C 2.802 179.671 176.870 -0.003 0.000 1.120 686 L CA 0.418 55.336 54.840 0.130 0.000 0.799 686 L CB -0.060 42.010 42.059 0.019 0.000 0.925 686 L HN 0.147 nan 8.230 nan 0.000 0.446 687 R N -0.350 120.178 120.500 0.046 0.000 2.300 687 R HA 0.110 4.448 4.340 -0.003 0.000 0.199 687 R C 0.277 176.706 176.300 0.214 0.000 0.920 687 R CA 0.120 56.248 56.100 0.046 0.000 1.046 687 R CB 0.054 30.365 30.300 0.018 0.000 0.984 687 R HN 0.206 nan 8.270 nan 0.000 0.493 688 N N 0.761 119.623 118.700 0.269 0.000 2.578 688 N HA 0.072 4.810 4.740 -0.003 0.000 0.282 688 N C -0.131 175.493 175.510 0.191 0.000 1.119 688 N CA -0.142 53.048 53.050 0.233 0.000 0.948 688 N CB 1.611 40.164 38.487 0.110 0.000 1.546 688 N HN -0.228 nan 8.380 nan 0.000 0.525 689 K N 1.740 122.192 120.400 0.085 0.000 2.074 689 K HA -0.131 4.187 4.320 -0.003 0.000 0.209 689 K C 1.763 178.301 176.600 -0.103 0.000 1.048 689 K CA 1.358 57.599 56.287 -0.078 0.000 0.926 689 K CB 0.200 32.453 32.500 -0.413 0.000 0.713 689 K HN 0.477 nan 8.250 nan 0.000 0.444 690 R N 0.984 121.391 120.500 -0.155 0.000 2.073 690 R HA -0.104 4.234 4.340 -0.003 0.000 0.234 690 R C 2.183 178.498 176.300 0.026 0.000 1.134 690 R CA 1.437 57.453 56.100 -0.139 0.000 0.952 690 R CB -0.191 29.976 30.300 -0.222 0.000 0.850 690 R HN 0.148 nan 8.270 nan 0.000 0.433 691 I N -0.178 120.405 120.570 0.021 0.000 2.315 691 I HA -0.153 4.015 4.170 -0.003 0.000 0.248 691 I C 2.429 178.534 176.117 -0.020 0.000 1.117 691 I CA 1.331 62.653 61.300 0.036 0.000 1.404 691 I CB -0.499 37.498 38.000 -0.005 0.000 1.071 691 I HN 0.400 nan 8.210 nan 0.000 0.419 692 G N -0.118 108.693 108.800 0.018 0.000 2.418 692 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.217 692 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.217 692 G C 1.482 176.342 174.900 -0.066 0.000 1.158 692 G CA 1.295 46.369 45.100 -0.044 0.000 0.771 692 G HN 0.423 nan 8.290 nan 0.000 0.545 693 H N 0.235 119.305 119.070 0.001 0.000 2.289 693 H HA -0.080 4.474 4.556 -0.003 0.000 0.296 693 H C 2.172 177.381 175.328 -0.198 0.000 1.091 693 H CA 1.875 57.917 56.048 -0.010 0.000 1.274 693 H CB -0.464 29.124 29.762 -0.291 0.000 1.364 693 H HN 0.306 nan 8.280 nan 0.000 0.490 694 F N -0.381 119.366 119.950 -0.338 0.000 2.234 694 F HA -0.075 4.450 4.527 -0.003 0.000 0.299 694 F C 2.420 177.645 175.800 -0.958 0.000 1.087 694 F CA 0.924 58.495 58.000 -0.715 0.000 1.340 694 F CB -0.697 37.904 39.000 -0.664 0.000 1.031 694 F HN 0.255 nan 8.300 nan 0.000 0.500 695 L N -0.695 120.268 121.223 -0.432 0.000 2.046 695 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 695 L C 2.240 178.840 176.870 -0.450 0.000 1.077 695 L CA 1.529 56.139 54.840 -0.385 0.000 0.747 695 L CB -1.079 40.718 42.059 -0.436 0.000 0.896 695 L HN 0.142 nan 8.230 nan 0.000 0.432 696 F N -0.634 118.879 119.950 -0.727 0.000 2.026 696 F HA -0.269 4.257 4.527 -0.003 0.000 0.296 696 F C 1.917 177.287 175.800 -0.716 0.000 1.133 696 F CA 2.130 59.641 58.000 -0.816 0.000 1.188 696 F CB -0.798 37.483 39.000 -1.198 0.000 0.968 696 F HN 0.119 nan 8.300 nan 0.000 0.476 697 W N -0.698 120.322 121.300 -0.467 0.000 2.374 697 W HA -0.184 4.474 4.660 -0.003 0.000 0.288 697 W C 2.220 178.633 176.519 -0.177 0.000 1.218 697 W CA 0.608 57.731 57.345 -0.370 0.000 1.245 697 W CB -0.649 28.691 29.460 -0.200 0.000 1.126 697 W HN 0.018 nan 8.180 nan 0.000 0.545 698 F N -0.205 119.709 119.950 -0.061 0.000 2.128 698 F HA -0.107 4.418 4.527 -0.003 0.000 0.295 698 F C 2.130 177.725 175.800 -0.341 0.000 1.100 698 F CA 0.784 58.693 58.000 -0.152 0.000 1.260 698 F CB -1.549 37.373 39.000 -0.130 0.000 1.009 698 F HN -0.167 nan 8.300 nan 0.000 0.476 699 L N -0.498 120.589 121.223 -0.226 0.000 2.017 699 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 699 L C 2.692 179.324 176.870 -0.396 0.000 1.073 699 L CA 1.384 55.994 54.840 -0.384 0.000 0.745 699 L CB -0.626 41.267 42.059 -0.277 0.000 0.894 699 L HN 0.030 nan 8.230 nan 0.000 0.432 700 R N -0.455 119.757 120.500 -0.480 0.000 2.096 700 R HA -0.179 4.160 4.340 -0.003 0.000 0.235 700 R C 2.628 178.803 176.300 -0.210 0.000 1.127 700 R CA 1.505 57.343 56.100 -0.437 0.000 0.968 700 R CB -0.215 29.624 30.300 -0.767 0.000 0.861 700 R HN 0.214 nan 8.270 nan 0.000 0.440 701 S N 0.361 115.987 115.700 -0.123 0.000 2.372 701 S HA -0.183 4.285 4.470 -0.003 0.000 0.227 701 S C 1.615 176.152 174.600 -0.105 0.000 1.044 701 S CA 1.589 59.764 58.200 -0.041 0.000 1.050 701 S CB -0.096 63.108 63.200 0.006 0.000 0.901 701 S HN 0.359 nan 8.310 nan 0.000 0.447 702 E N 0.469 120.533 120.200 -0.226 0.000 2.112 702 E HA 0.047 4.395 4.350 -0.003 0.000 0.190 702 E C 2.102 178.644 176.600 -0.097 0.000 0.979 702 E CA 0.630 56.897 56.400 -0.222 0.000 0.814 702 E CB -0.402 28.977 29.700 -0.534 0.000 0.762 702 E HN 0.591 nan 8.360 nan 0.000 0.460 703 I N 1.326 121.824 120.570 -0.120 0.000 2.361 703 I HA -0.242 3.926 4.170 -0.003 0.000 0.251 703 I C 2.340 178.438 176.117 -0.030 0.000 1.133 703 I CA 1.078 62.341 61.300 -0.062 0.000 1.413 703 I CB -0.165 37.781 38.000 -0.090 0.000 1.073 703 I HN -0.010 nan 8.210 nan 0.000 0.424 704 A N 0.273 123.081 122.820 -0.021 0.000 2.016 704 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 704 A C 1.960 179.571 177.584 0.045 0.000 1.162 704 A CA 1.341 53.394 52.037 0.026 0.000 0.662 704 A CB -0.250 18.770 19.000 0.033 0.000 0.812 704 A HN 0.640 nan 8.150 nan 0.000 0.450 705 Q N -1.752 118.067 119.800 0.033 0.000 2.118 705 Q HA 0.354 4.692 4.340 -0.003 0.000 0.219 705 Q C -0.143 175.897 176.000 0.065 0.000 0.794 705 Q CA 0.194 56.028 55.803 0.052 0.000 1.035 705 Q CB 0.207 28.969 28.738 0.039 0.000 1.177 705 Q HN 0.229 nan 8.270 nan 0.000 0.478 706 S N 0.824 116.564 115.700 0.068 0.000 2.653 706 S HA 0.334 4.802 4.470 -0.003 0.000 0.272 706 S C 0.645 175.302 174.600 0.095 0.000 1.221 706 S CA -0.595 57.672 58.200 0.111 0.000 1.149 706 S CB 0.628 63.916 63.200 0.148 0.000 1.029 706 S HN 0.239 nan 8.310 nan 0.000 0.481 707 R N 2.275 122.831 120.500 0.092 0.000 2.091 707 R HA -0.106 4.232 4.340 -0.003 0.000 0.238 707 R C 1.179 177.419 176.300 -0.100 0.000 1.136 707 R CA 1.855 57.993 56.100 0.064 0.000 0.959 707 R CB -0.899 29.520 30.300 0.199 0.000 0.856 707 R HN 0.746 nan 8.270 nan 0.000 0.437 708 H N -1.464 117.352 119.070 -0.423 0.000 2.387 708 H HA -0.137 4.418 4.556 -0.003 0.000 0.299 708 H C 0.888 175.802 175.328 -0.690 0.000 1.099 708 H CA 1.675 57.265 56.048 -0.764 0.000 1.315 708 H CB -0.142 29.112 29.762 -0.846 0.000 1.380 708 H HN 0.283 nan 8.280 nan 0.000 0.513 709 Y N -0.017 120.300 120.300 0.029 0.000 2.527 709 Y HA 0.049 4.597 4.550 -0.003 0.000 0.247 709 Y C 2.097 178.008 175.900 0.019 0.000 1.138 709 Y CA -0.216 57.889 58.100 0.009 0.000 1.228 709 Y CB 0.325 38.841 38.460 0.094 0.000 1.252 709 Y HN 0.256 nan 8.280 nan 0.000 0.531 710 Q N 0.552 120.386 119.800 0.057 0.000 2.135 710 Q HA -0.268 4.070 4.340 -0.003 0.000 0.204 710 Q C 1.171 176.985 176.000 -0.310 0.000 0.981 710 Q CA 2.103 57.851 55.803 -0.092 0.000 0.856 710 Q CB -0.338 28.258 28.738 -0.237 0.000 0.902 710 Q HN 0.534 nan 8.270 nan 0.000 0.425 711 Q N 0.619 120.202 119.800 -0.362 0.000 2.050 711 Q HA -0.165 4.173 4.340 -0.003 0.000 0.202 711 Q C 2.277 178.103 176.000 -0.291 0.000 0.980 711 Q CA 1.707 57.293 55.803 -0.361 0.000 0.840 711 Q CB -0.251 28.331 28.738 -0.259 0.000 0.898 711 Q HN 0.428 nan 8.270 nan 0.000 0.424 712 R N 0.109 120.419 120.500 -0.317 0.000 2.081 712 R HA -0.139 4.199 4.340 -0.003 0.000 0.235 712 R C 1.871 178.023 176.300 -0.247 0.000 1.131 712 R CA 1.295 57.192 56.100 -0.338 0.000 0.960 712 R CB -0.122 30.034 30.300 -0.239 0.000 0.856 712 R HN 0.158 nan 8.270 nan 0.000 0.436 713 F N 0.803 120.712 119.950 -0.068 0.000 2.186 713 F HA 0.021 4.546 4.527 -0.003 0.000 0.299 713 F C 2.507 178.246 175.800 -0.102 0.000 1.090 713 F CA 1.046 59.001 58.000 -0.075 0.000 1.307 713 F CB -0.723 38.227 39.000 -0.084 0.000 1.019 713 F HN 0.170 nan 8.300 nan 0.000 0.489 714 A N -0.042 122.791 122.820 0.021 0.000 1.865 714 A HA -0.166 4.153 4.320 -0.003 0.000 0.217 714 A C 2.426 180.021 177.584 0.018 0.000 1.191 714 A CA 2.083 54.122 52.037 0.003 0.000 0.623 714 A CB -1.302 17.703 19.000 0.009 0.000 0.826 714 A HN 0.156 nan 8.150 nan 0.000 0.444 715 V N 0.332 120.239 119.914 -0.011 0.000 2.392 715 V HA -0.290 3.828 4.120 -0.003 0.000 0.249 715 V C 2.405 178.511 176.094 0.020 0.000 1.059 715 V CA 2.107 64.403 62.300 -0.006 0.000 1.051 715 V CB -0.632 31.163 31.823 -0.046 0.000 0.658 715 V HN 0.572 nan 8.190 nan 0.000 0.455 716 I N -1.093 119.498 120.570 0.034 0.000 2.286 716 I HA -0.219 3.950 4.170 -0.003 0.000 0.245 716 I C 2.351 178.522 176.117 0.090 0.000 1.104 716 I CA 1.346 62.689 61.300 0.071 0.000 1.397 716 I CB -0.255 37.809 38.000 0.107 0.000 1.072 716 I HN 0.280 nan 8.210 nan 0.000 0.417 717 L N 0.710 121.973 121.223 0.067 0.000 2.027 717 L HA -0.223 4.115 4.340 -0.003 0.000 0.206 717 L C 2.637 179.564 176.870 0.095 0.000 1.074 717 L CA 1.625 56.500 54.840 0.059 0.000 0.745 717 L CB -0.374 41.652 42.059 -0.055 0.000 0.898 717 L HN 0.324 nan 8.230 nan 0.000 0.433 718 E N -0.051 120.175 120.200 0.042 0.000 2.070 718 E HA -0.288 4.060 4.350 -0.003 0.000 0.197 718 E C 2.025 178.640 176.600 0.025 0.000 1.004 718 E CA 1.467 57.874 56.400 0.011 0.000 0.805 718 E CB -0.015 29.679 29.700 -0.009 0.000 0.744 718 E HN 0.558 nan 8.360 nan 0.000 0.451 719 A N 0.190 123.040 122.820 0.050 0.000 1.978 719 A HA -0.214 4.104 4.320 -0.003 0.000 0.220 719 A C 1.994 179.624 177.584 0.077 0.000 1.170 719 A CA 1.577 53.646 52.037 0.053 0.000 0.636 719 A CB -0.785 18.249 19.000 0.058 0.000 0.810 719 A HN 0.590 nan 8.150 nan 0.000 0.448 720 Y N 0.206 120.514 120.300 0.013 0.000 2.220 720 Y HA 0.013 4.561 4.550 -0.003 0.000 0.291 720 Y C 1.763 177.694 175.900 0.050 0.000 1.129 720 Y CA 1.426 59.541 58.100 0.025 0.000 1.161 720 Y CB -0.280 38.189 38.460 0.015 0.000 0.997 720 Y HN 0.179 nan 8.280 nan 0.000 0.522 721 L N 0.138 121.288 121.223 -0.121 0.000 2.362 721 L HA -0.107 4.231 4.340 -0.003 0.000 0.219 721 L C 1.972 178.794 176.870 -0.081 0.000 1.134 721 L CA 0.966 55.715 54.840 -0.152 0.000 0.807 721 L CB -0.331 41.720 42.059 -0.014 0.000 0.927 721 L HN 0.124 nan 8.230 nan 0.000 0.447 722 R N -0.508 119.966 120.500 -0.042 0.000 2.310 722 R HA 0.084 4.422 4.340 -0.003 0.000 0.202 722 R C 1.438 177.742 176.300 0.007 0.000 0.933 722 R CA 0.522 56.662 56.100 0.067 0.000 1.054 722 R CB 0.280 30.628 30.300 0.081 0.000 0.985 722 R HN 0.307 nan 8.270 nan 0.000 0.489 723 G N -0.708 108.028 108.800 -0.107 0.000 3.314 723 G HA2 -0.085 3.873 3.960 -0.003 0.000 0.230 723 G HA3 -0.085 3.873 3.960 -0.003 0.000 0.230 723 G C 1.218 176.015 174.900 -0.172 0.000 1.058 723 G CA -0.101 44.926 45.100 -0.122 0.000 0.926 723 G HN 0.391 nan 8.290 nan 0.000 0.564 724 C N -0.346 118.794 119.300 -0.267 0.000 2.457 724 C HA 0.559 5.017 4.460 -0.003 0.000 0.278 724 C C 1.505 176.537 174.990 0.070 0.000 1.309 724 C CA 0.370 59.295 59.018 -0.155 0.000 1.735 724 C CB -0.955 26.618 27.740 -0.278 0.000 1.992 724 C HN 1.305 nan 8.230 nan 0.000 0.493 725 G N -0.691 108.122 108.800 0.022 0.000 2.406 725 G HA2 0.216 4.174 3.960 -0.003 0.000 0.680 725 G HA3 0.216 4.174 3.960 -0.003 0.000 0.680 725 G C 0.105 175.020 174.900 0.025 0.000 1.338 725 G CA 0.126 45.258 45.100 0.053 0.000 0.941 725 G HN 0.546 nan 8.290 nan 0.000 0.633 726 T N -0.334 114.229 114.554 0.015 0.000 2.857 726 T HA 0.219 4.567 4.350 -0.003 0.000 0.266 726 T C 2.729 177.432 174.700 0.004 0.000 1.048 726 T CA 2.284 64.392 62.100 0.013 0.000 1.139 726 T CB -0.323 68.537 68.868 -0.013 0.000 0.874 726 T HN 1.748 nan 8.240 nan 0.000 0.455 727 A N 2.208 125.015 122.820 -0.022 0.000 1.858 727 A HA 0.017 4.335 4.320 -0.003 0.000 0.216 727 A C 2.484 180.003 177.584 -0.109 0.000 1.190 727 A CA 1.603 53.615 52.037 -0.041 0.000 0.617 727 A CB -0.789 18.172 19.000 -0.066 0.000 0.827 727 A HN 0.433 nan 8.150 nan 0.000 0.443 728 M N -0.626 118.856 119.600 -0.197 0.000 2.159 728 M HA -0.088 4.390 4.480 -0.003 0.000 0.263 728 M C 2.133 178.141 176.300 -0.487 0.000 1.063 728 M CA 1.191 56.202 55.300 -0.481 0.000 1.110 728 M CB -0.645 31.692 32.600 -0.440 0.000 1.374 728 M HN 0.382 nan 8.290 nan 0.000 0.411 729 L N -0.896 120.257 121.223 -0.116 0.000 2.127 729 L HA -0.260 4.079 4.340 -0.003 0.000 0.211 729 L C 2.562 179.453 176.870 0.036 0.000 1.089 729 L CA 1.351 56.222 54.840 0.050 0.000 0.757 729 L CB -0.850 41.283 42.059 0.123 0.000 0.899 729 L HN 0.372 nan 8.230 nan 0.000 0.434 730 H N -0.087 118.930 119.070 -0.090 0.000 2.372 730 H HA -0.130 4.424 4.556 -0.003 0.000 0.301 730 H C 1.854 177.128 175.328 -0.091 0.000 1.065 730 H CA 1.540 57.552 56.048 -0.060 0.000 1.364 730 H CB 0.069 29.797 29.762 -0.056 0.000 1.406 730 H HN 0.169 nan 8.280 nan 0.000 0.521 731 D N -0.072 120.132 120.400 -0.326 0.000 2.117 731 D HA -0.148 4.490 4.640 -0.003 0.000 0.197 731 D C 1.897 178.025 176.300 -0.287 0.000 0.987 731 D CA 0.950 54.715 54.000 -0.392 0.000 0.829 731 D CB -0.417 40.103 40.800 -0.467 0.000 0.961 731 D HN 0.331 nan 8.370 nan 0.000 0.460 732 F N 1.214 121.020 119.950 -0.240 0.000 2.134 732 F HA -0.123 4.402 4.527 -0.003 0.000 0.299 732 F C 2.672 178.379 175.800 -0.155 0.000 1.097 732 F CA 0.845 58.636 58.000 -0.349 0.000 1.264 732 F CB -1.233 37.342 39.000 -0.709 0.000 1.001 732 F HN -0.079 nan 8.300 nan 0.000 0.479 733 T N -0.346 114.232 114.554 0.040 0.000 2.708 733 T HA -0.187 4.161 4.350 -0.003 0.000 0.266 733 T C 1.995 176.697 174.700 0.004 0.000 1.037 733 T CA 1.379 63.499 62.100 0.033 0.000 1.146 733 T CB -0.183 68.703 68.868 0.029 0.000 0.865 733 T HN 0.167 nan 8.240 nan 0.000 0.435 734 Q N 1.087 120.824 119.800 -0.104 0.000 2.124 734 Q HA -0.059 4.279 4.340 -0.003 0.000 0.202 734 Q C 2.372 178.393 176.000 0.034 0.000 0.977 734 Q CA 1.356 57.121 55.803 -0.064 0.000 0.850 734 Q CB -0.404 28.247 28.738 -0.145 0.000 0.901 734 Q HN 0.656 nan 8.270 nan 0.000 0.429 735 Q N -0.114 119.764 119.800 0.130 0.000 2.046 735 Q HA -0.072 4.266 4.340 -0.003 0.000 0.200 735 Q C 2.315 178.484 176.000 0.282 0.000 0.975 735 Q CA 1.273 57.231 55.803 0.258 0.000 0.836 735 Q CB -0.032 29.031 28.738 0.542 0.000 0.896 735 Q HN 0.135 nan 8.270 nan 0.000 0.428 736 V N 1.126 121.217 119.914 0.295 0.000 2.332 736 V HA -0.320 3.798 4.120 -0.003 0.000 0.248 736 V C 2.194 178.380 176.094 0.153 0.000 1.055 736 V CA 1.967 64.427 62.300 0.267 0.000 1.038 736 V CB -0.559 31.374 31.823 0.183 0.000 0.651 736 V HN 0.376 nan 8.190 nan 0.000 0.450 737 Q N -0.682 119.169 119.800 0.086 0.000 2.061 737 Q HA -0.192 4.146 4.340 -0.003 0.000 0.204 737 Q C 2.341 178.340 176.000 -0.003 0.000 0.984 737 Q CA 2.172 57.998 55.803 0.039 0.000 0.846 737 Q CB -0.295 28.457 28.738 0.024 0.000 0.902 737 Q HN 0.538 nan 8.270 nan 0.000 0.421 738 V N 1.559 121.427 119.914 -0.076 0.000 2.295 738 V HA -0.283 3.835 4.120 -0.003 0.000 0.246 738 V C 2.212 178.244 176.094 -0.103 0.000 1.049 738 V CA 2.057 64.238 62.300 -0.198 0.000 1.024 738 V CB -0.758 30.692 31.823 -0.623 0.000 0.648 738 V HN 0.525 nan 8.190 nan 0.000 0.447 739 I N -1.964 118.625 120.570 0.031 0.000 2.353 739 I HA -0.122 4.046 4.170 -0.003 0.000 0.248 739 I C 2.075 178.270 176.117 0.130 0.000 1.119 739 I CA 1.798 63.209 61.300 0.185 0.000 1.417 739 I CB -0.691 37.493 38.000 0.307 0.000 1.078 739 I HN 0.162 nan 8.210 nan 0.000 0.421 740 D N 1.457 121.921 120.400 0.108 0.000 2.144 740 D HA -0.127 4.511 4.640 -0.003 0.000 0.199 740 D C 2.277 178.594 176.300 0.030 0.000 0.984 740 D CA 1.643 55.693 54.000 0.083 0.000 0.834 740 D CB -0.088 40.758 40.800 0.077 0.000 0.955 740 D HN 0.477 nan 8.370 nan 0.000 0.465 741 M N -0.481 119.114 119.600 -0.009 0.000 2.193 741 M HA -0.002 4.476 4.480 -0.003 0.000 0.265 741 M C 2.230 178.471 176.300 -0.098 0.000 1.071 741 M CA 0.678 55.955 55.300 -0.039 0.000 1.140 741 M CB -0.015 32.562 32.600 -0.039 0.000 1.369 741 M HN -0.056 nan 8.290 nan 0.000 0.423 742 L N -0.021 121.088 121.223 -0.189 0.000 2.201 742 L HA -0.184 4.154 4.340 -0.003 0.000 0.212 742 L C 2.482 179.128 176.870 -0.372 0.000 1.105 742 L CA 1.135 55.725 54.840 -0.417 0.000 0.775 742 L CB -0.520 41.000 42.059 -0.898 0.000 0.913 742 L HN 0.398 nan 8.230 nan 0.000 0.440 743 Q N -0.145 119.572 119.800 -0.139 0.000 2.137 743 Q HA -0.149 4.189 4.340 -0.003 0.000 0.198 743 Q C 2.092 178.106 176.000 0.022 0.000 0.960 743 Q CA 0.872 56.699 55.803 0.040 0.000 0.847 743 Q CB -0.005 28.841 28.738 0.181 0.000 0.915 743 Q HN 0.448 nan 8.270 nan 0.000 0.448 744 K N 0.407 120.807 120.400 0.000 0.000 2.044 744 K HA -0.156 4.162 4.320 -0.003 0.000 0.210 744 K C 2.119 178.708 176.600 -0.019 0.000 1.049 744 K CA 1.588 57.874 56.287 -0.002 0.000 0.927 744 K CB -0.197 32.300 32.500 -0.004 0.000 0.713 744 K HN 0.011 nan 8.250 nan 0.000 0.443 745 V N 1.243 121.128 119.914 -0.047 0.000 2.295 745 V HA -0.257 3.861 4.120 -0.003 0.000 0.246 745 V C 2.177 178.255 176.094 -0.026 0.000 1.049 745 V CA 2.216 64.489 62.300 -0.046 0.000 1.024 745 V CB -0.822 30.953 31.823 -0.079 0.000 0.648 745 V HN 0.407 nan 8.190 nan 0.000 0.447 746 T N 0.614 115.153 114.554 -0.025 0.000 2.624 746 T HA -0.234 4.114 4.350 -0.003 0.000 0.268 746 T C 1.795 176.523 174.700 0.046 0.000 1.041 746 T CA 2.275 64.402 62.100 0.045 0.000 1.159 746 T CB -0.362 68.583 68.868 0.129 0.000 0.863 746 T HN 0.364 nan 8.240 nan 0.000 0.434 747 I N 1.052 121.632 120.570 0.017 0.000 2.233 747 I HA -0.137 4.031 4.170 -0.003 0.000 0.243 747 I C 2.415 178.503 176.117 -0.049 0.000 1.093 747 I CA 1.153 62.418 61.300 -0.059 0.000 1.380 747 I CB -0.381 37.559 38.000 -0.100 0.000 1.067 747 I HN 0.105 nan 8.210 nan 0.000 0.413 748 D N 0.907 121.290 120.400 -0.027 0.000 2.116 748 D HA -0.206 4.432 4.640 -0.003 0.000 0.193 748 D C 2.099 178.393 176.300 -0.010 0.000 0.998 748 D CA 1.479 55.467 54.000 -0.019 0.000 0.836 748 D CB -0.296 40.496 40.800 -0.013 0.000 0.951 748 D HN 0.203 nan 8.370 nan 0.000 0.449 749 I N 1.033 121.603 120.570 -0.000 0.000 2.286 749 I HA -0.209 3.959 4.170 -0.003 0.000 0.248 749 I C 2.238 178.365 176.117 0.017 0.000 1.115 749 I CA 1.133 62.441 61.300 0.012 0.000 1.392 749 I CB -0.174 37.840 38.000 0.024 0.000 1.065 749 I HN -0.092 nan 8.210 nan 0.000 0.418 750 K N -0.248 120.160 120.400 0.014 0.000 2.097 750 K HA -0.146 4.172 4.320 -0.003 0.000 0.206 750 K C 2.224 178.826 176.600 0.003 0.000 1.049 750 K CA 1.569 57.867 56.287 0.018 0.000 0.933 750 K CB -0.013 32.490 32.500 0.005 0.000 0.717 750 K HN 0.247 nan 8.250 nan 0.000 0.442 751 S N 1.340 117.031 115.700 -0.014 0.000 2.368 751 S HA -0.097 4.371 4.470 -0.003 0.000 0.225 751 S C 1.737 176.336 174.600 -0.001 0.000 1.030 751 S CA 0.961 59.154 58.200 -0.012 0.000 0.999 751 S CB -0.209 62.980 63.200 -0.018 0.000 0.844 751 S HN 0.291 nan 8.310 nan 0.000 0.459 752 L N 1.534 122.759 121.223 0.002 0.000 2.351 752 L HA -0.092 4.246 4.340 -0.003 0.000 0.220 752 L C 0.248 177.124 176.870 0.009 0.000 1.127 752 L CA 0.858 55.701 54.840 0.006 0.000 0.786 752 L CB -0.346 41.718 42.059 0.008 0.000 0.914 752 L HN 0.368 nan 8.230 nan 0.000 0.443 753 S N -2.847 112.862 115.700 0.014 0.000 2.891 753 S HA 0.392 4.860 4.470 -0.003 0.000 0.141 753 S C -0.083 174.531 174.600 0.024 0.000 0.993 753 S CA -0.190 58.020 58.200 0.017 0.000 1.051 753 S CB 0.435 63.650 63.200 0.023 0.000 1.657 753 S HN 0.081 nan 8.310 nan 0.000 0.482 754 A N 0.908 123.739 122.820 0.019 0.000 2.387 754 A HA 0.411 4.729 4.320 -0.003 0.000 0.234 754 A C 1.438 179.032 177.584 0.017 0.000 1.253 754 A CA 0.018 52.072 52.037 0.029 0.000 0.894 754 A CB 0.020 19.038 19.000 0.030 0.000 0.963 754 A HN 0.564 nan 8.150 nan 0.000 0.508 755 E N 0.551 120.749 120.200 -0.004 0.000 2.611 755 E HA 0.149 4.497 4.350 -0.003 0.000 0.284 755 E C -0.231 176.321 176.600 -0.079 0.000 0.800 755 E CA 0.146 56.526 56.400 -0.033 0.000 1.264 755 E CB -0.632 29.046 29.700 -0.038 0.000 1.735 755 E HN 0.120 nan 8.360 nan 0.000 0.526 756 K N 2.122 122.454 120.400 -0.113 0.000 2.401 756 K HA 0.009 4.327 4.320 -0.003 0.000 0.278 756 K C 0.485 177.022 176.600 -0.104 0.000 1.018 756 K CA 0.090 56.240 56.287 -0.227 0.000 0.981 756 K CB -0.064 32.330 32.500 -0.176 0.000 0.933 756 K HN 0.275 nan 8.250 nan 0.000 0.477 757 Y N -0.994 119.314 120.300 0.013 0.000 2.488 757 Y HA 0.204 4.752 4.550 -0.003 0.000 0.319 757 Y C -0.456 175.449 175.900 0.008 0.000 1.212 757 Y CA -0.965 57.142 58.100 0.012 0.000 1.273 757 Y CB -0.825 37.641 38.460 0.009 0.000 1.074 757 Y HN 0.305 nan 8.280 nan 0.000 0.503 758 D N 1.446 122.006 120.400 0.268 0.000 2.498 758 D HA 0.110 4.748 4.640 -0.003 0.000 0.229 758 D C -0.310 176.050 176.300 0.101 0.000 1.188 758 D CA 0.049 54.161 54.000 0.187 0.000 1.028 758 D CB 0.623 41.492 40.800 0.116 0.000 1.087 758 D HN 0.056 nan 8.370 nan 0.000 0.510 759 V N 2.824 122.791 119.914 0.089 0.000 2.420 759 V HA -0.023 4.095 4.120 -0.003 0.000 0.274 759 V C 1.174 177.288 176.094 0.034 0.000 1.003 759 V CA -0.104 62.227 62.300 0.052 0.000 1.092 759 V CB -0.240 31.604 31.823 0.035 0.000 1.002 759 V HN 0.502 nan 8.190 nan 0.000 0.473 760 S N 3.986 119.703 115.700 0.029 0.000 2.634 760 S HA 0.177 4.645 4.470 -0.003 0.000 0.261 760 S C 1.498 176.105 174.600 0.012 0.000 1.271 760 S CA 0.018 58.230 58.200 0.020 0.000 0.985 760 S CB 1.314 64.524 63.200 0.018 0.000 0.968 760 S HN 0.914 nan 8.310 nan 0.000 0.568 761 S N 0.235 115.939 115.700 0.008 0.000 2.414 761 S HA -0.085 4.383 4.470 -0.003 0.000 0.227 761 S C 1.712 176.315 174.600 0.004 0.000 1.022 761 S CA 0.241 58.443 58.200 0.003 0.000 0.958 761 S CB -0.579 62.622 63.200 0.001 0.000 0.797 761 S HN 0.694 nan 8.310 nan 0.000 0.493 762 Q N 1.028 120.832 119.800 0.006 0.000 2.079 762 Q HA 0.017 4.355 4.340 -0.003 0.000 0.200 762 Q C 2.505 178.510 176.000 0.007 0.000 0.974 762 Q CA 1.425 57.231 55.803 0.006 0.000 0.840 762 Q CB -1.148 27.593 28.738 0.006 0.000 0.898 762 Q HN 0.530 nan 8.270 nan 0.000 0.430 763 V N 0.854 120.774 119.914 0.010 0.000 2.469 763 V HA -0.218 3.900 4.120 -0.003 0.000 0.251 763 V C 2.042 178.144 176.094 0.012 0.000 1.064 763 V CA 1.213 63.520 62.300 0.013 0.000 1.066 763 V CB -0.337 31.497 31.823 0.019 0.000 0.667 763 V HN 0.265 nan 8.190 nan 0.000 0.461 764 I N 0.602 121.177 120.570 0.009 0.000 2.286 764 I HA -0.158 4.010 4.170 -0.003 0.000 0.245 764 I C 2.679 178.799 176.117 0.004 0.000 1.104 764 I CA 1.711 63.015 61.300 0.007 0.000 1.397 764 I CB -0.291 37.709 38.000 0.000 0.000 1.072 764 I HN 0.563 nan 8.210 nan 0.000 0.417 765 S N -0.099 115.603 115.700 0.003 0.000 2.453 765 S HA -0.234 4.234 4.470 -0.003 0.000 0.231 765 S C 1.887 176.488 174.600 0.002 0.000 1.005 765 S CA 0.997 59.198 58.200 0.001 0.000 0.949 765 S CB -0.214 62.987 63.200 0.001 0.000 0.774 765 S HN 0.362 nan 8.310 nan 0.000 0.510 766 Q N 1.369 121.171 119.800 0.003 0.000 2.016 766 Q HA 0.073 4.411 4.340 -0.003 0.000 0.200 766 Q C 2.071 178.072 176.000 0.001 0.000 0.978 766 Q CA 1.680 57.485 55.803 0.003 0.000 0.833 766 Q CB -0.730 28.011 28.738 0.005 0.000 0.895 766 Q HN 0.606 nan 8.270 nan 0.000 0.427 767 L N 0.243 121.469 121.223 0.004 0.000 1.990 767 L HA -0.296 4.042 4.340 -0.003 0.000 0.213 767 L C 2.100 178.967 176.870 -0.005 0.000 1.072 767 L CA 1.955 56.797 54.840 0.002 0.000 0.755 767 L CB -0.360 41.706 42.059 0.012 0.000 0.889 767 L HN 0.311 nan 8.230 nan 0.000 0.432 768 K N -0.695 119.703 120.400 -0.003 0.000 2.001 768 K HA -0.306 4.012 4.320 -0.003 0.000 0.214 768 K C 2.039 178.635 176.600 -0.007 0.000 1.050 768 K CA 1.968 58.251 56.287 -0.007 0.000 0.934 768 K CB -0.332 32.165 32.500 -0.004 0.000 0.718 768 K HN 0.223 nan 8.250 nan 0.000 0.443 769 Q N 1.581 121.378 119.800 -0.004 0.000 2.077 769 Q HA -0.172 4.166 4.340 -0.003 0.000 0.206 769 Q C 1.758 177.755 176.000 -0.005 0.000 0.989 769 Q CA 1.841 57.642 55.803 -0.003 0.000 0.853 769 Q CB -0.063 28.674 28.738 -0.001 0.000 0.907 769 Q HN 0.180 nan 8.270 nan 0.000 0.418 770 K N -0.624 119.772 120.400 -0.008 0.000 2.103 770 K HA -0.112 4.206 4.320 -0.003 0.000 0.207 770 K C 2.035 178.626 176.600 -0.016 0.000 1.048 770 K CA 1.400 57.680 56.287 -0.011 0.000 0.930 770 K CB -0.176 32.315 32.500 -0.015 0.000 0.716 770 K HN 0.235 nan 8.250 nan 0.000 0.444 771 L N 0.726 121.937 121.223 -0.020 0.000 2.093 771 L HA -0.154 4.184 4.340 -0.003 0.000 0.208 771 L C 2.305 179.167 176.870 -0.014 0.000 1.085 771 L CA 1.006 55.830 54.840 -0.027 0.000 0.755 771 L CB -0.339 41.695 42.059 -0.040 0.000 0.904 771 L HN 0.181 nan 8.230 nan 0.000 0.435 772 E N 0.338 120.533 120.200 -0.009 0.000 2.077 772 E HA -0.185 4.163 4.350 -0.003 0.000 0.193 772 E C 1.886 178.487 176.600 0.003 0.000 0.989 772 E CA 1.032 57.432 56.400 -0.001 0.000 0.800 772 E CB -0.306 29.394 29.700 -0.000 0.000 0.746 772 E HN 0.483 nan 8.360 nan 0.000 0.452 773 N N 0.899 119.599 118.700 0.000 0.000 2.137 773 N HA -0.148 4.590 4.740 -0.003 0.000 0.190 773 N C 1.985 177.498 175.510 0.005 0.000 1.017 773 N CA 0.909 53.960 53.050 0.002 0.000 0.859 773 N CB -0.311 38.176 38.487 -0.001 0.000 1.002 773 N HN 0.186 nan 8.380 nan 0.000 0.428 774 L N 0.012 121.236 121.223 0.002 0.000 2.102 774 L HA -0.037 4.301 4.340 -0.003 0.000 0.202 774 L C 2.362 179.244 176.870 0.019 0.000 1.076 774 L CA 0.567 55.411 54.840 0.007 0.000 0.761 774 L CB -0.460 41.597 42.059 -0.003 0.000 0.921 774 L HN 0.095 nan 8.230 nan 0.000 0.444 775 Q N 0.669 120.481 119.800 0.021 0.000 2.268 775 Q HA -0.224 4.114 4.340 -0.003 0.000 0.210 775 Q C 1.675 177.696 176.000 0.035 0.000 0.988 775 Q CA 1.472 57.296 55.803 0.035 0.000 0.883 775 Q CB 0.004 28.758 28.738 0.026 0.000 0.911 775 Q HN 0.444 nan 8.270 nan 0.000 0.430 776 N N -0.082 118.634 118.700 0.025 0.000 2.003 776 N HA -0.173 4.566 4.740 -0.003 0.000 0.188 776 N C 0.711 176.239 175.510 0.030 0.000 1.102 776 N CA 1.621 54.686 53.050 0.025 0.000 0.912 776 N CB -0.400 38.098 38.487 0.019 0.000 1.051 776 N HN 0.305 nan 8.380 nan 0.000 0.454 777 L N 0.440 121.680 121.223 0.027 0.000 3.202 777 L HA 0.339 4.677 4.340 -0.003 0.000 0.278 777 L C 0.789 177.678 176.870 0.031 0.000 1.268 777 L CA -0.160 54.698 54.840 0.030 0.000 1.034 777 L CB 0.048 42.123 42.059 0.026 0.000 1.407 777 L HN 0.213 nan 8.230 nan 0.000 0.581 778 N N -0.122 118.596 118.700 0.030 0.000 2.905 778 N HA 0.115 4.853 4.740 -0.003 0.000 0.237 778 N C 0.327 175.856 175.510 0.032 0.000 1.017 778 N CA -0.467 52.600 53.050 0.028 0.000 1.127 778 N CB 0.719 39.217 38.487 0.019 0.000 1.608 778 N HN -0.001 nan 8.380 nan 0.000 0.522 779 L N 4.395 125.636 121.223 0.031 0.000 2.601 779 L HA 0.090 4.429 4.340 -0.003 0.000 0.277 779 L C -2.420 174.487 176.870 0.061 0.000 1.219 779 L CA -0.809 54.053 54.840 0.036 0.000 0.915 779 L CB 0.011 42.098 42.059 0.047 0.000 1.160 779 L HN 0.057 nan 8.230 nan 0.000 0.494 780 P HA 0.044 nan 4.420 nan 0.000 0.265 780 P C -0.237 177.151 177.300 0.147 0.000 1.193 780 P CA -0.129 63.026 63.100 0.091 0.000 0.765 780 P CB 0.624 32.368 31.700 0.074 0.000 0.823 781 Q N 1.192 121.073 119.800 0.134 0.000 2.181 781 Q HA -0.085 4.253 4.340 -0.003 0.000 0.205 781 Q C 0.732 176.842 176.000 0.184 0.000 0.980 781 Q CA 1.320 57.208 55.803 0.142 0.000 0.862 781 Q CB -0.322 28.476 28.738 0.101 0.000 0.905 781 Q HN 0.616 nan 8.270 nan 0.000 0.429 782 S N -1.157 114.659 115.700 0.192 0.000 2.596 782 S HA 0.773 5.241 4.470 -0.003 0.000 0.270 782 S C -1.185 173.564 174.600 0.248 0.000 1.155 782 S CA -1.016 57.284 58.200 0.167 0.000 0.827 782 S CB 1.530 64.749 63.200 0.033 0.000 1.130 782 S HN 0.378 nan 8.310 nan 0.000 0.467 783 F N -1.924 117.971 119.950 -0.091 0.000 2.746 783 F HA 0.648 5.173 4.527 -0.004 0.000 0.311 783 F C -1.093 174.610 175.800 -0.162 0.000 1.135 783 F CA -1.244 56.685 58.000 -0.119 0.000 0.954 783 F CB 0.807 39.748 39.000 -0.098 0.000 1.276 783 F HN 0.736 nan 8.300 nan 0.000 0.440 784 R N 1.368 121.795 120.500 -0.122 0.000 2.490 784 R HA 0.583 4.921 4.340 -0.003 0.000 0.280 784 R C -0.943 175.226 176.300 -0.219 0.000 1.077 784 R CA -0.957 54.984 56.100 -0.265 0.000 1.065 784 R CB 1.483 31.643 30.300 -0.233 0.000 1.003 784 R HN 0.576 nan 8.270 nan 0.000 0.470 785 V N 6.050 125.716 119.914 -0.414 0.000 2.421 785 V HA 0.013 4.131 4.120 -0.003 0.000 0.271 785 V C -1.431 174.406 176.094 -0.428 0.000 1.031 785 V CA -1.055 60.965 62.300 -0.467 0.000 1.032 785 V CB 1.040 32.475 31.823 -0.647 0.000 1.009 785 V HN 0.680 nan 8.190 nan 0.000 0.477 786 P HA -0.205 nan 4.420 nan 0.000 0.218 786 P C 1.041 178.267 177.300 -0.123 0.000 1.152 786 P CA 1.748 64.661 63.100 -0.311 0.000 0.857 786 P CB -0.040 31.133 31.700 -0.878 0.000 0.787 787 Y N -3.064 117.229 120.300 -0.012 0.000 2.466 787 Y HA 0.438 4.987 4.550 -0.003 0.000 0.272 787 Y C 0.049 176.087 175.900 0.230 0.000 1.169 787 Y CA -0.566 57.641 58.100 0.178 0.000 1.285 787 Y CB -0.510 38.018 38.460 0.112 0.000 1.078 787 Y HN -0.180 nan 8.280 nan 0.000 0.523 788 D N 0.554 120.922 120.400 -0.053 0.000 2.752 788 D HA 0.231 4.869 4.640 -0.003 0.000 0.242 788 D C -2.396 173.771 176.300 -0.222 0.000 1.295 788 D CA -2.132 51.883 54.000 0.025 0.000 0.846 788 D CB 1.184 42.047 40.800 0.105 0.000 1.454 788 D HN -0.116 nan 8.370 nan 0.000 0.535 789 P HA -0.090 nan 4.420 nan 0.000 0.217 789 P C 1.391 178.477 177.300 -0.358 0.000 1.151 789 P CA 1.290 64.008 63.100 -0.637 0.000 0.849 789 P CB 0.272 31.445 31.700 -0.879 0.000 0.787 790 G N -1.474 107.214 108.800 -0.187 0.000 2.650 790 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.214 790 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.214 790 G C 0.427 175.232 174.900 -0.158 0.000 1.136 790 G CA -0.103 44.929 45.100 -0.115 0.000 0.789 790 G HN 0.243 nan 8.290 nan 0.000 0.536 791 L N 1.026 122.140 121.223 -0.182 0.000 2.289 791 L HA 0.437 4.775 4.340 -0.003 0.000 0.285 791 L C -0.410 176.291 176.870 -0.282 0.000 1.049 791 L CA -0.747 53.973 54.840 -0.200 0.000 0.804 791 L CB 1.626 43.586 42.059 -0.166 0.000 1.195 791 L HN -0.153 nan 8.230 nan 0.000 0.428 792 K N 3.556 123.794 120.400 -0.271 0.000 2.307 792 K HA 0.562 4.880 4.320 -0.003 0.000 0.263 792 K C -0.853 175.512 176.600 -0.391 0.000 0.973 792 K CA -0.403 55.686 56.287 -0.329 0.000 0.846 792 K CB 1.854 34.219 32.500 -0.224 0.000 1.100 792 K HN 0.633 nan 8.250 nan 0.000 0.438 793 A N 2.700 125.111 122.820 -0.682 0.000 2.310 793 A HA 0.714 5.032 4.320 -0.003 0.000 0.299 793 A C 0.478 177.811 177.584 -0.418 0.000 1.147 793 A CA -0.067 51.538 52.037 -0.720 0.000 0.818 793 A CB 1.024 19.121 19.000 -1.504 0.000 1.096 793 A HN 0.766 nan 8.150 nan 0.000 0.495 794 G N -0.048 108.699 108.800 -0.088 0.000 3.310 794 G HA2 0.596 4.554 3.960 -0.003 0.000 0.176 794 G HA3 0.596 4.554 3.960 -0.003 0.000 0.176 794 G C 0.441 175.503 174.900 0.270 0.000 1.307 794 G CA 0.074 45.217 45.100 0.070 0.000 0.935 794 G HN 1.444 nan 8.290 nan 0.000 0.628 795 A N -0.692 122.253 122.820 0.208 0.000 2.483 795 A HA 0.508 4.826 4.320 -0.003 0.000 0.238 795 A C 0.251 177.971 177.584 0.226 0.000 1.070 795 A CA -0.128 52.035 52.037 0.210 0.000 0.770 795 A CB -0.131 18.937 19.000 0.114 0.000 1.008 795 A HN 0.480 nan 8.150 nan 0.000 0.497 796 L N 1.465 122.757 121.223 0.115 0.000 2.452 796 L HA 0.225 4.563 4.340 -0.003 0.000 0.267 796 L C -0.119 176.696 176.870 -0.092 0.000 1.188 796 L CA -0.219 54.509 54.840 -0.188 0.000 0.821 796 L CB 1.145 43.062 42.059 -0.236 0.000 1.102 796 L HN 0.446 nan 8.230 nan 0.000 0.470 797 V N 4.929 124.770 119.914 -0.123 0.000 2.192 797 V HA 0.120 4.238 4.120 -0.003 0.000 0.264 797 V C 1.240 177.310 176.094 -0.041 0.000 1.155 797 V CA -0.204 62.076 62.300 -0.034 0.000 1.005 797 V CB 0.382 32.211 31.823 0.010 0.000 1.201 797 V HN 0.684 nan 8.190 nan 0.000 0.468 798 I N 1.463 122.008 120.570 -0.041 0.000 2.300 798 I HA -0.297 3.871 4.170 -0.003 0.000 0.252 798 I C 2.190 178.302 176.117 -0.008 0.000 1.119 798 I CA 1.555 62.836 61.300 -0.032 0.000 1.384 798 I CB -0.063 37.923 38.000 -0.022 0.000 1.062 798 I HN 0.553 nan 8.210 nan 0.000 0.426 799 E N 0.996 121.196 120.200 0.001 0.000 2.153 799 E HA -0.198 4.150 4.350 -0.003 0.000 0.194 799 E C 1.829 178.438 176.600 0.015 0.000 0.988 799 E CA 1.141 57.545 56.400 0.007 0.000 0.811 799 E CB -0.185 29.522 29.700 0.011 0.000 0.746 799 E HN 0.449 nan 8.360 nan 0.000 0.466 800 K N -0.472 119.949 120.400 0.035 0.000 2.374 800 K HA 0.183 4.501 4.320 -0.003 0.000 0.196 800 K C -0.253 176.412 176.600 0.108 0.000 1.023 800 K CA -0.175 56.152 56.287 0.068 0.000 1.103 800 K CB 0.408 32.982 32.500 0.122 0.000 0.848 800 K HN 0.060 nan 8.250 nan 0.000 0.528 801 C N 2.746 122.093 119.300 0.079 0.000 2.601 801 C HA 0.261 4.719 4.460 -0.003 0.000 0.409 801 C C 0.240 175.276 174.990 0.077 0.000 1.293 801 C CA -0.493 58.595 59.018 0.116 0.000 2.101 801 C CB -0.543 27.219 27.740 0.036 0.000 2.639 801 C HN 0.476 nan 8.230 nan 0.000 0.592 802 K N 0.933 121.407 120.400 0.123 0.000 2.578 802 K HA 0.734 5.052 4.320 -0.003 0.000 0.287 802 K C -2.027 174.636 176.600 0.106 0.000 1.010 802 K CA -0.823 55.495 56.287 0.053 0.000 0.889 802 K CB 0.843 33.306 32.500 -0.062 0.000 1.514 802 K HN 0.183 nan 8.250 nan 0.000 0.424 803 V N 2.383 122.335 119.914 0.063 0.000 2.370 803 V HA 0.319 4.437 4.120 -0.003 0.000 0.279 803 V C -0.073 176.059 176.094 0.063 0.000 1.029 803 V CA -0.716 61.636 62.300 0.086 0.000 0.870 803 V CB 1.126 32.987 31.823 0.064 0.000 0.984 803 V HN 0.672 nan 8.190 nan 0.000 0.451 804 M N 3.351 123.010 119.600 0.098 0.000 2.240 804 M HA 0.358 4.836 4.480 -0.003 0.000 0.333 804 M C 0.810 177.138 176.300 0.047 0.000 1.110 804 M CA -0.106 55.232 55.300 0.063 0.000 1.173 804 M CB 0.778 33.451 32.600 0.122 0.000 1.458 804 M HN 0.678 nan 8.290 nan 0.000 0.458 805 A N 2.407 125.233 122.820 0.010 0.000 3.077 805 A HA 0.304 4.622 4.320 -0.003 0.000 0.255 805 A C 0.157 177.749 177.584 0.013 0.000 1.728 805 A CA 0.022 52.064 52.037 0.008 0.000 1.383 805 A CB -0.534 18.438 19.000 -0.047 0.000 1.097 805 A HN 0.682 nan 8.150 nan 0.000 0.634 806 S N -0.345 115.386 115.700 0.053 0.000 2.566 806 S HA 0.494 4.962 4.470 -0.003 0.000 0.298 806 S C 0.965 175.617 174.600 0.087 0.000 1.083 806 S CA -0.653 57.580 58.200 0.055 0.000 0.978 806 S CB 1.125 64.359 63.200 0.055 0.000 1.073 806 S HN 0.398 nan 8.310 nan 0.000 0.491 807 K N 2.119 122.569 120.400 0.083 0.000 2.052 807 K HA -0.076 4.242 4.320 -0.003 0.000 0.215 807 K C 1.453 178.109 176.600 0.093 0.000 1.053 807 K CA 1.769 58.112 56.287 0.093 0.000 0.934 807 K CB -0.081 32.462 32.500 0.072 0.000 0.717 807 K HN 0.446 nan 8.250 nan 0.000 0.450 808 K N 1.117 121.572 120.400 0.092 0.000 2.525 808 K HA 0.048 4.366 4.320 -0.003 0.000 0.192 808 K C -0.275 176.397 176.600 0.120 0.000 1.029 808 K CA 0.199 56.553 56.287 0.112 0.000 1.029 808 K CB 0.223 32.790 32.500 0.111 0.000 0.814 808 K HN 0.097 nan 8.250 nan 0.000 0.503 809 K N -0.078 120.387 120.400 0.107 0.000 3.148 809 K HA -0.132 4.186 4.320 -0.003 0.000 0.267 809 K C -2.636 174.039 176.600 0.126 0.000 0.996 809 K CA 0.321 56.672 56.287 0.106 0.000 0.737 809 K CB -2.185 30.370 32.500 0.092 0.000 1.308 809 K HN 0.257 nan 8.250 nan 0.000 0.470 810 P HA 0.037 nan 4.420 nan 0.000 0.268 810 P C 0.681 178.100 177.300 0.199 0.000 1.208 810 P CA -0.139 63.066 63.100 0.175 0.000 0.777 810 P CB 0.560 32.361 31.700 0.167 0.000 0.875 811 L N 1.942 123.304 121.223 0.231 0.000 2.350 811 L HA 0.351 4.689 4.340 -0.003 0.000 0.275 811 L C 0.137 177.201 176.870 0.324 0.000 1.099 811 L CA -0.290 54.694 54.840 0.241 0.000 0.808 811 L CB 0.735 42.916 42.059 0.204 0.000 1.149 811 L HN 0.465 nan 8.230 nan 0.000 0.442 812 W N 5.908 127.274 121.300 0.110 0.000 2.336 812 W HA 0.538 5.196 4.660 -0.003 0.000 0.315 812 W C -1.953 174.624 176.519 0.096 0.000 1.016 812 W CA -0.706 56.705 57.345 0.110 0.000 1.318 812 W CB 1.004 30.505 29.460 0.069 0.000 1.247 812 W HN 0.354 nan 8.180 nan 0.000 0.414 813 L N 5.229 126.546 121.223 0.157 0.000 2.330 813 L HA 0.529 4.867 4.340 -0.003 0.000 0.271 813 L C 0.131 177.016 176.870 0.024 0.000 1.013 813 L CA -0.775 54.121 54.840 0.093 0.000 0.816 813 L CB 2.167 44.279 42.059 0.087 0.000 1.287 813 L HN 0.260 nan 8.230 nan 0.000 0.435 814 E N 1.640 121.789 120.200 -0.085 0.000 2.272 814 E HA 0.586 4.934 4.350 -0.003 0.000 0.269 814 E C -1.680 174.801 176.600 -0.198 0.000 0.877 814 E CA -0.571 55.842 56.400 0.021 0.000 0.755 814 E CB 2.739 32.517 29.700 0.131 0.000 1.192 814 E HN 0.197 nan 8.360 nan 0.000 0.422 815 F N 0.624 120.632 119.950 0.098 0.000 2.603 815 F HA 0.428 4.953 4.527 -0.003 0.000 0.317 815 F C 0.566 176.390 175.800 0.040 0.000 1.066 815 F CA -0.991 57.059 58.000 0.083 0.000 0.941 815 F CB 1.457 40.512 39.000 0.092 0.000 1.291 815 F HN 0.053 nan 8.300 nan 0.000 0.472 816 K N 0.139 120.676 120.400 0.229 0.000 2.102 816 K HA 0.422 4.740 4.320 -0.003 0.000 0.244 816 K C -0.873 175.768 176.600 0.070 0.000 1.021 816 K CA -0.595 55.762 56.287 0.117 0.000 0.913 816 K CB 1.397 33.949 32.500 0.086 0.000 1.062 816 K HN 0.708 nan 8.250 nan 0.000 0.485 817 C N 1.754 121.065 119.300 0.018 0.000 2.285 817 C HA 0.382 4.840 4.460 -0.003 0.000 0.335 817 C C 1.563 176.528 174.990 -0.043 0.000 1.267 817 C CA -0.424 58.571 59.018 -0.038 0.000 1.762 817 C CB -0.717 26.997 27.740 -0.044 0.000 2.365 817 C HN 0.872 nan 8.230 nan 0.000 0.527 818 A N 3.714 126.490 122.820 -0.074 0.000 2.125 818 A HA -0.022 4.296 4.320 -0.003 0.000 0.219 818 A C 0.943 178.494 177.584 -0.056 0.000 1.156 818 A CA 1.234 53.236 52.037 -0.057 0.000 0.671 818 A CB -0.340 18.611 19.000 -0.082 0.000 0.794 818 A HN 0.916 nan 8.150 nan 0.000 0.459 819 D N -1.077 119.278 120.400 -0.075 0.000 2.277 819 D HA 0.344 4.982 4.640 -0.003 0.000 0.249 819 D C -1.779 174.485 176.300 -0.061 0.000 1.134 819 D CA -2.115 51.839 54.000 -0.076 0.000 0.863 819 D CB 1.385 42.120 40.800 -0.109 0.000 1.143 819 D HN -0.042 nan 8.370 nan 0.000 0.458 820 P HA -0.062 nan 4.420 nan 0.000 0.219 820 P C 1.041 178.313 177.300 -0.048 0.000 1.150 820 P CA 1.211 64.290 63.100 -0.036 0.000 0.814 820 P CB 0.113 31.799 31.700 -0.023 0.000 0.787 821 T N -3.156 111.355 114.554 -0.072 0.000 3.163 821 T HA 0.188 4.536 4.350 -0.003 0.000 0.260 821 T C 0.902 175.527 174.700 -0.126 0.000 1.156 821 T CA -0.049 61.992 62.100 -0.099 0.000 1.072 821 T CB -1.024 67.767 68.868 -0.129 0.000 0.937 821 T HN 0.046 nan 8.240 nan 0.000 0.528 822 A N 1.444 124.204 122.820 -0.100 0.000 2.537 822 A HA 0.370 4.689 4.320 -0.003 0.000 0.260 822 A C 0.778 178.306 177.584 -0.092 0.000 1.082 822 A CA -0.368 51.611 52.037 -0.096 0.000 0.765 822 A CB -0.420 18.540 19.000 -0.067 0.000 1.019 822 A HN 0.546 nan 8.150 nan 0.000 0.507 823 L N 3.372 124.523 121.223 -0.121 0.000 2.930 823 L HA 0.266 4.604 4.340 -0.003 0.000 0.250 823 L C 0.657 177.474 176.870 -0.088 0.000 1.320 823 L CA 1.017 55.773 54.840 -0.141 0.000 1.163 823 L CB -0.888 41.025 42.059 -0.243 0.000 1.542 823 L HN 0.829 nan 8.230 nan 0.000 0.428 824 S N -1.333 114.337 115.700 -0.050 0.000 2.663 824 S HA 0.306 4.774 4.470 -0.003 0.000 0.264 824 S C -0.297 174.299 174.600 -0.007 0.000 1.112 824 S CA -0.668 57.519 58.200 -0.021 0.000 0.823 824 S CB 0.569 63.764 63.200 -0.008 0.000 1.111 824 S HN 0.209 nan 8.310 nan 0.000 0.476 825 N N 0.807 119.512 118.700 0.009 0.000 2.171 825 N HA 0.211 4.949 4.740 -0.003 0.000 0.212 825 N C -0.681 174.849 175.510 0.034 0.000 1.184 825 N CA -0.025 53.036 53.050 0.019 0.000 0.888 825 N CB 0.487 38.987 38.487 0.022 0.000 1.038 825 N HN 0.602 nan 8.380 nan 0.000 0.517 826 E N 1.353 121.575 120.200 0.037 0.000 2.481 826 E HA -0.004 4.344 4.350 -0.003 0.000 0.263 826 E C 0.619 177.256 176.600 0.062 0.000 0.992 826 E CA 0.469 56.901 56.400 0.055 0.000 0.938 826 E CB 0.557 30.291 29.700 0.055 0.000 0.933 826 E HN 0.201 nan 8.360 nan 0.000 0.453 827 T N -0.430 114.175 114.554 0.084 0.000 2.881 827 T HA 0.487 4.835 4.350 -0.003 0.000 0.278 827 T C 0.301 175.064 174.700 0.106 0.000 0.982 827 T CA -0.785 61.376 62.100 0.101 0.000 0.989 827 T CB 0.607 69.550 68.868 0.126 0.000 1.058 827 T HN 0.290 nan 8.240 nan 0.000 0.529 828 I N 1.352 122.004 120.570 0.136 0.000 2.312 828 I HA 0.471 4.639 4.170 -0.003 0.000 0.290 828 I C 0.866 177.106 176.117 0.205 0.000 1.008 828 I CA -0.620 60.762 61.300 0.136 0.000 1.226 828 I CB 0.990 39.037 38.000 0.078 0.000 1.371 828 I HN 0.905 nan 8.210 nan 0.000 0.468 829 G N 7.615 116.477 108.800 0.104 0.000 2.343 829 G HA2 0.782 4.740 3.960 -0.003 0.000 0.319 829 G HA3 0.782 4.740 3.960 -0.003 0.000 0.319 829 G C -0.712 174.192 174.900 0.008 0.000 1.126 829 G CA -0.373 44.716 45.100 -0.020 0.000 0.889 829 G HN 0.515 nan 8.290 nan 0.000 0.457 830 I N 2.188 122.784 120.570 0.044 0.000 2.571 830 I HA 0.311 4.479 4.170 -0.003 0.000 0.289 830 I C -0.607 175.552 176.117 0.071 0.000 1.115 830 I CA -0.659 60.712 61.300 0.117 0.000 1.045 830 I CB 2.482 40.684 38.000 0.336 0.000 1.238 830 I HN 0.225 nan 8.210 nan 0.000 0.424 831 I N 5.110 125.663 120.570 -0.029 0.000 2.353 831 I HA 0.339 4.507 4.170 -0.003 0.000 0.293 831 I C -0.936 175.233 176.117 0.086 0.000 0.992 831 I CA -0.356 60.976 61.300 0.054 0.000 1.268 831 I CB 1.209 39.201 38.000 -0.014 0.000 1.387 831 I HN 0.342 nan 8.210 nan 0.000 0.478 832 F N 6.054 126.062 119.950 0.096 0.000 2.411 832 F HA 0.458 4.983 4.527 -0.003 0.000 0.352 832 F C 0.176 176.039 175.800 0.106 0.000 1.123 832 F CA -0.457 57.605 58.000 0.103 0.000 1.044 832 F CB 1.380 40.447 39.000 0.111 0.000 1.135 832 F HN 0.298 nan 8.300 nan 0.000 0.461 833 K N 2.897 123.431 120.400 0.223 0.000 2.422 833 K HA 0.432 4.750 4.320 -0.003 0.000 0.251 833 K C -1.894 174.818 176.600 0.185 0.000 0.933 833 K CA -0.810 55.592 56.287 0.192 0.000 0.798 833 K CB 1.529 34.101 32.500 0.119 0.000 1.238 833 K HN 0.774 nan 8.250 nan 0.000 0.428 834 H N 1.256 120.399 119.070 0.121 0.000 2.495 834 H HA 0.504 5.058 4.556 -0.003 0.000 0.348 834 H C 0.467 175.846 175.328 0.084 0.000 1.113 834 H CA 0.943 57.052 56.048 0.102 0.000 1.195 834 H CB 1.906 31.727 29.762 0.098 0.000 1.521 834 H HN 0.813 nan 8.280 nan 0.000 0.509 835 G N 4.009 112.568 108.800 -0.401 0.000 2.428 835 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.199 835 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.199 835 G C -0.457 174.400 174.900 -0.071 0.000 1.005 835 G CA -0.008 45.023 45.100 -0.115 0.000 0.671 835 G HN 0.625 nan 8.290 nan 0.000 0.485 836 D N 0.902 121.268 120.400 -0.057 0.000 2.248 836 D HA 0.455 5.093 4.640 -0.003 0.000 0.246 836 D C -1.205 175.081 176.300 -0.023 0.000 1.027 836 D CA -0.356 53.637 54.000 -0.011 0.000 0.853 836 D CB 1.826 42.641 40.800 0.026 0.000 1.243 836 D HN 0.075 nan 8.370 nan 0.000 0.462 837 D N 2.528 122.926 120.400 -0.004 0.000 2.470 837 D HA 0.011 4.649 4.640 -0.003 0.000 0.226 837 D C 0.979 177.279 176.300 0.000 0.000 1.196 837 D CA -0.369 53.626 54.000 -0.009 0.000 0.979 837 D CB 0.253 41.051 40.800 -0.003 0.000 1.059 837 D HN 0.057 nan 8.370 nan 0.000 0.515 838 L N 3.326 124.549 121.223 -0.000 0.000 2.450 838 L HA -0.032 4.306 4.340 -0.003 0.000 0.224 838 L C 2.212 179.070 176.870 -0.020 0.000 1.149 838 L CA 0.972 55.818 54.840 0.010 0.000 0.816 838 L CB -0.577 41.490 42.059 0.013 0.000 0.932 838 L HN 0.403 nan 8.230 nan 0.000 0.449 839 R N -0.931 119.543 120.500 -0.043 0.000 2.127 839 R HA -0.179 4.159 4.340 -0.003 0.000 0.238 839 R C 2.068 178.301 176.300 -0.112 0.000 1.134 839 R CA 1.219 57.267 56.100 -0.087 0.000 0.975 839 R CB -0.173 30.070 30.300 -0.094 0.000 0.865 839 R HN 0.566 nan 8.270 nan 0.000 0.447 840 Q N 0.293 120.042 119.800 -0.084 0.000 2.083 840 Q HA -0.140 4.198 4.340 -0.003 0.000 0.198 840 Q C 1.360 177.297 176.000 -0.105 0.000 0.969 840 Q CA 1.449 57.187 55.803 -0.108 0.000 0.838 840 Q CB -0.016 28.676 28.738 -0.077 0.000 0.900 840 Q HN 0.346 nan 8.270 nan 0.000 0.436 841 D N 0.696 121.081 120.400 -0.025 0.000 2.117 841 D HA -0.142 4.496 4.640 -0.003 0.000 0.197 841 D C 1.827 178.045 176.300 -0.138 0.000 0.987 841 D CA 1.209 55.206 54.000 -0.005 0.000 0.829 841 D CB -0.085 40.797 40.800 0.138 0.000 0.961 841 D HN 0.172 nan 8.370 nan 0.000 0.460 842 M N -0.257 119.266 119.600 -0.128 0.000 2.086 842 M HA -0.137 4.341 4.480 -0.003 0.000 0.261 842 M C 1.676 177.829 176.300 -0.246 0.000 1.067 842 M CA 0.841 56.036 55.300 -0.175 0.000 1.116 842 M CB -0.152 32.343 32.600 -0.174 0.000 1.348 842 M HN 0.072 nan 8.290 nan 0.000 0.407 843 L N 0.296 121.372 121.223 -0.246 0.000 2.046 843 L HA -0.187 4.151 4.340 -0.003 0.000 0.208 843 L C 2.312 179.019 176.870 -0.272 0.000 1.077 843 L CA 1.650 56.336 54.840 -0.257 0.000 0.747 843 L CB -1.059 40.856 42.059 -0.239 0.000 0.896 843 L HN 0.241 nan 8.230 nan 0.000 0.432 844 I N -1.295 119.078 120.570 -0.329 0.000 2.202 844 I HA -0.227 3.941 4.170 -0.003 0.000 0.242 844 I C 2.404 178.268 176.117 -0.422 0.000 1.091 844 I CA 0.861 61.900 61.300 -0.435 0.000 1.368 844 I CB -1.244 36.297 38.000 -0.765 0.000 1.058 844 I HN 0.136 nan 8.210 nan 0.000 0.410 845 L N 0.171 121.139 121.223 -0.425 0.000 2.043 845 L HA -0.232 4.106 4.340 -0.003 0.000 0.212 845 L C 2.570 179.285 176.870 -0.259 0.000 1.075 845 L CA 1.714 56.349 54.840 -0.342 0.000 0.752 845 L CB -1.409 40.443 42.059 -0.344 0.000 0.891 845 L HN 0.289 nan 8.230 nan 0.000 0.432 846 Q N -0.696 118.956 119.800 -0.246 0.000 2.079 846 Q HA -0.132 4.206 4.340 -0.003 0.000 0.200 846 Q C 2.148 178.021 176.000 -0.212 0.000 0.974 846 Q CA 1.341 57.014 55.803 -0.216 0.000 0.840 846 Q CB -0.305 28.294 28.738 -0.233 0.000 0.898 846 Q HN 0.326 nan 8.270 nan 0.000 0.430 847 I N -0.086 120.360 120.570 -0.207 0.000 2.113 847 I HA -0.286 3.882 4.170 -0.003 0.000 0.242 847 I C 1.867 177.846 176.117 -0.230 0.000 1.064 847 I CA 1.029 62.218 61.300 -0.184 0.000 1.320 847 I CB -0.761 37.150 38.000 -0.148 0.000 1.028 847 I HN 0.244 nan 8.210 nan 0.000 0.406 848 L N -0.104 120.978 121.223 -0.235 0.000 2.042 848 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 848 L C 2.608 179.325 176.870 -0.255 0.000 1.076 848 L CA 1.775 56.469 54.840 -0.244 0.000 0.749 848 L CB -0.847 41.096 42.059 -0.193 0.000 0.893 848 L HN 0.203 nan 8.230 nan 0.000 0.432 849 R N -0.950 119.420 120.500 -0.217 0.000 2.096 849 R HA -0.105 4.233 4.340 -0.003 0.000 0.235 849 R C 2.288 178.404 176.300 -0.307 0.000 1.127 849 R CA 1.289 57.270 56.100 -0.198 0.000 0.968 849 R CB -0.343 29.883 30.300 -0.124 0.000 0.861 849 R HN 0.329 nan 8.270 nan 0.000 0.440 850 I N 0.383 120.755 120.570 -0.331 0.000 2.286 850 I HA -0.306 3.862 4.170 -0.003 0.000 0.248 850 I C 2.292 178.126 176.117 -0.472 0.000 1.115 850 I CA 1.358 62.415 61.300 -0.405 0.000 1.392 850 I CB -0.147 37.673 38.000 -0.300 0.000 1.065 850 I HN 0.215 nan 8.210 nan 0.000 0.418 851 M N -0.058 119.219 119.600 -0.538 0.000 2.159 851 M HA -0.231 4.247 4.480 -0.003 0.000 0.263 851 M C 2.123 177.834 176.300 -0.982 0.000 1.063 851 M CA 1.782 56.545 55.300 -0.895 0.000 1.110 851 M CB -0.406 31.561 32.600 -1.055 0.000 1.374 851 M HN 0.162 nan 8.290 nan 0.000 0.411 852 E N -0.023 119.845 120.200 -0.553 0.000 2.110 852 E HA -0.177 4.171 4.350 -0.003 0.000 0.193 852 E C 2.107 178.583 176.600 -0.206 0.000 0.988 852 E CA 1.726 57.995 56.400 -0.219 0.000 0.804 852 E CB -0.033 29.599 29.700 -0.113 0.000 0.745 852 E HN 0.574 nan 8.360 nan 0.000 0.458 853 S N 0.402 115.895 115.700 -0.345 0.000 2.395 853 S HA -0.055 4.413 4.470 -0.003 0.000 0.225 853 S C 2.054 176.487 174.600 -0.278 0.000 1.027 853 S CA 0.307 58.315 58.200 -0.320 0.000 0.965 853 S CB -0.332 62.549 63.200 -0.532 0.000 0.812 853 S HN 0.148 nan 8.310 nan 0.000 0.482 854 I N 0.219 120.538 120.570 -0.419 0.000 2.163 854 I HA -0.159 4.009 4.170 -0.003 0.000 0.243 854 I C 2.407 178.367 176.117 -0.262 0.000 1.085 854 I CA 1.379 62.387 61.300 -0.487 0.000 1.347 854 I CB -0.355 37.196 38.000 -0.748 0.000 1.044 854 I HN 0.371 nan 8.210 nan 0.000 0.408 855 W N 1.132 122.320 121.300 -0.186 0.000 2.425 855 W HA -0.156 4.502 4.660 -0.003 0.000 0.277 855 W C 2.494 178.953 176.519 -0.099 0.000 1.231 855 W CA 1.157 58.419 57.345 -0.137 0.000 1.248 855 W CB -0.853 28.520 29.460 -0.144 0.000 1.117 855 W HN 0.345 nan 8.180 nan 0.000 0.568 856 E N 0.496 120.748 120.200 0.088 0.000 2.072 856 E HA -0.195 4.153 4.350 -0.003 0.000 0.191 856 E C 2.127 178.754 176.600 0.044 0.000 0.985 856 E CA 2.326 58.758 56.400 0.052 0.000 0.801 856 E CB -0.271 29.432 29.700 0.005 0.000 0.750 856 E HN 0.088 nan 8.360 nan 0.000 0.452 857 T N -1.507 113.062 114.554 0.026 0.000 3.025 857 T HA -0.099 4.249 4.350 -0.003 0.000 0.270 857 T C 1.139 175.884 174.700 0.075 0.000 1.126 857 T CA 1.153 63.280 62.100 0.045 0.000 1.105 857 T CB -0.097 68.803 68.868 0.054 0.000 0.884 857 T HN 0.201 nan 8.240 nan 0.000 0.522 858 E N 0.470 120.725 120.200 0.092 0.000 2.603 858 E HA 0.249 4.597 4.350 -0.003 0.000 0.211 858 E C -0.097 176.546 176.600 0.072 0.000 0.995 858 E CA -0.238 56.224 56.400 0.102 0.000 0.990 858 E CB 0.545 30.333 29.700 0.147 0.000 1.036 858 E HN 0.405 nan 8.360 nan 0.000 0.475 859 S N 0.862 116.600 115.700 0.063 0.000 3.697 859 S HA -0.162 4.306 4.470 -0.003 0.000 0.388 859 S C -0.316 174.298 174.600 0.022 0.000 0.941 859 S CA 0.530 58.760 58.200 0.050 0.000 1.247 859 S CB -1.265 61.961 63.200 0.043 0.000 0.904 859 S HN 0.300 nan 8.310 nan 0.000 0.518 860 L N 0.925 122.155 121.223 0.013 0.000 2.455 860 L HA 0.626 4.964 4.340 -0.003 0.000 0.264 860 L C -0.612 176.192 176.870 -0.110 0.000 0.968 860 L CA -0.793 53.998 54.840 -0.081 0.000 0.827 860 L CB 2.097 44.077 42.059 -0.131 0.000 1.317 860 L HN 0.213 nan 8.230 nan 0.000 0.407 861 D N 2.798 123.026 120.400 -0.287 0.000 2.420 861 D HA 0.250 4.888 4.640 -0.003 0.000 0.255 861 D C 0.291 176.391 176.300 -0.332 0.000 1.185 861 D CA -0.444 53.357 54.000 -0.331 0.000 0.904 861 D CB 1.150 41.550 40.800 -0.667 0.000 1.102 861 D HN 0.255 nan 8.370 nan 0.000 0.534 862 L N 2.586 123.673 121.223 -0.226 0.000 2.610 862 L HA 0.100 4.438 4.340 -0.003 0.000 0.232 862 L C 0.650 177.461 176.870 -0.099 0.000 1.149 862 L CA 0.294 54.992 54.840 -0.236 0.000 0.872 862 L CB -1.515 40.223 42.059 -0.534 0.000 0.992 862 L HN 0.709 nan 8.230 nan 0.000 0.447 863 C N 0.012 119.261 119.300 -0.085 0.000 4.350 863 C HA -0.192 4.266 4.460 -0.003 0.000 0.302 863 C C 1.342 176.373 174.990 0.068 0.000 1.390 863 C CA -0.488 58.519 59.018 -0.019 0.000 2.016 863 C CB -3.245 24.487 27.740 -0.013 0.000 1.271 863 C HN 0.303 nan 8.230 nan 0.000 0.760 864 L N -0.609 120.641 121.223 0.046 0.000 2.474 864 L HA 0.406 4.744 4.340 -0.003 0.000 0.259 864 L C 0.493 177.459 176.870 0.160 0.000 1.232 864 L CA -0.108 54.775 54.840 0.072 0.000 0.821 864 L CB 0.169 42.180 42.059 -0.080 0.000 1.108 864 L HN 0.186 nan 8.230 nan 0.000 0.495 865 L N 2.783 124.184 121.223 0.296 0.000 2.480 865 L HA 0.383 4.721 4.340 -0.003 0.000 0.253 865 L C -2.371 174.601 176.870 0.170 0.000 1.324 865 L CA -1.103 53.811 54.840 0.124 0.000 0.916 865 L CB 0.916 42.922 42.059 -0.089 0.000 1.160 865 L HN 0.227 nan 8.230 nan 0.000 0.503 866 P HA 0.249 nan 4.420 nan 0.000 0.251 866 P C -0.943 176.267 177.300 -0.150 0.000 1.718 866 P CA -0.322 62.733 63.100 -0.075 0.000 1.119 866 P CB -0.344 31.303 31.700 -0.088 0.000 1.762 867 Y N 0.513 120.802 120.300 -0.018 0.000 2.511 867 Y HA 0.460 5.008 4.550 -0.003 0.000 0.347 867 Y C 1.018 176.840 175.900 -0.131 0.000 1.257 867 Y CA -0.990 57.048 58.100 -0.104 0.000 1.469 867 Y CB -0.289 38.081 38.460 -0.149 0.000 1.353 867 Y HN 0.304 nan 8.280 nan 0.000 0.617 868 G N -0.088 108.638 108.800 -0.123 0.000 2.503 868 G HA2 0.371 4.329 3.960 -0.003 0.000 0.257 868 G HA3 0.371 4.329 3.960 -0.003 0.000 0.257 868 G C -1.358 173.394 174.900 -0.247 0.000 1.214 868 G CA -0.237 44.715 45.100 -0.247 0.000 0.839 868 G HN 1.094 nan 8.290 nan 0.000 0.559 869 C N 2.210 121.460 119.300 -0.082 0.000 2.931 869 C HA 0.659 5.117 4.460 -0.003 0.000 0.370 869 C C -0.924 174.095 174.990 0.050 0.000 1.071 869 C CA -0.867 58.142 59.018 -0.014 0.000 1.266 869 C CB -0.128 27.624 27.740 0.019 0.000 1.691 869 C HN 0.645 nan 8.230 nan 0.000 0.511 870 I N 4.506 125.095 120.570 0.031 0.000 2.499 870 I HA 0.325 4.493 4.170 -0.003 0.000 0.288 870 I C 0.073 176.191 176.117 0.000 0.000 1.048 870 I CA -0.050 61.276 61.300 0.043 0.000 1.062 870 I CB 2.146 40.122 38.000 -0.039 0.000 1.238 870 I HN 0.674 nan 8.210 nan 0.000 0.426 871 S N 3.223 118.947 115.700 0.039 0.000 2.422 871 S HA 0.156 4.624 4.470 -0.003 0.000 0.283 871 S C 1.158 175.798 174.600 0.068 0.000 1.163 871 S CA -0.260 57.956 58.200 0.028 0.000 1.054 871 S CB 0.377 63.581 63.200 0.007 0.000 0.967 871 S HN 0.787 nan 8.310 nan 0.000 0.499 872 T N 2.288 116.883 114.554 0.069 0.000 3.051 872 T HA 0.473 4.821 4.350 -0.003 0.000 0.255 872 T C 0.953 175.728 174.700 0.125 0.000 1.085 872 T CA 0.340 62.524 62.100 0.140 0.000 1.109 872 T CB 0.033 68.989 68.868 0.147 0.000 0.921 872 T HN 0.820 nan 8.240 nan 0.000 0.488 873 G N 0.432 109.285 108.800 0.088 0.000 2.489 873 G HA2 0.407 4.365 3.960 -0.003 0.000 0.305 873 G HA3 0.407 4.365 3.960 -0.003 0.000 0.305 873 G C -2.074 172.859 174.900 0.055 0.000 1.311 873 G CA -0.757 44.391 45.100 0.080 0.000 0.813 873 G HN 0.069 nan 8.290 nan 0.000 0.480 874 D N 0.555 120.991 120.400 0.060 0.000 2.389 874 D HA 0.215 4.854 4.640 -0.003 0.000 0.263 874 D C 0.856 177.150 176.300 -0.010 0.000 1.255 874 D CA 0.552 54.575 54.000 0.039 0.000 0.914 874 D CB 0.068 40.907 40.800 0.065 0.000 1.116 874 D HN 0.538 nan 8.370 nan 0.000 0.502 875 K N 1.342 121.709 120.400 -0.055 0.000 3.088 875 K HA -0.237 4.081 4.320 -0.003 0.000 0.273 875 K C -0.141 176.337 176.600 -0.203 0.000 1.111 875 K CA 0.515 56.709 56.287 -0.155 0.000 0.803 875 K CB -1.443 30.904 32.500 -0.254 0.000 1.226 875 K HN 0.591 nan 8.250 nan 0.000 0.485 876 I N -1.474 119.066 120.570 -0.049 0.000 2.865 876 I HA 0.661 4.829 4.170 -0.003 0.000 0.302 876 I C 0.058 176.207 176.117 0.053 0.000 1.140 876 I CA -0.016 61.305 61.300 0.035 0.000 1.021 876 I CB 2.161 40.254 38.000 0.155 0.000 1.233 876 I HN 0.133 nan 8.210 nan 0.000 0.427 877 G N 6.153 114.985 108.800 0.052 0.000 2.323 877 G HA2 0.332 4.290 3.960 -0.003 0.000 0.291 877 G HA3 0.332 4.290 3.960 -0.003 0.000 0.291 877 G C -1.723 173.057 174.900 -0.200 0.000 1.278 877 G CA -0.467 44.610 45.100 -0.038 0.000 0.860 877 G HN 0.775 nan 8.290 nan 0.000 0.504 878 M N -0.526 118.893 119.600 -0.301 0.000 2.602 878 M HA 0.883 5.361 4.480 -0.003 0.000 0.312 878 M C -1.577 174.617 176.300 -0.177 0.000 1.181 878 M CA -0.926 54.114 55.300 -0.432 0.000 0.910 878 M CB 2.294 34.482 32.600 -0.685 0.000 1.723 878 M HN 0.440 nan 8.290 nan 0.000 0.459 879 I N 1.581 122.056 120.570 -0.158 0.000 2.533 879 I HA 0.319 4.487 4.170 -0.003 0.000 0.290 879 I C -0.423 175.560 176.117 -0.223 0.000 1.056 879 I CA -0.604 60.621 61.300 -0.125 0.000 1.057 879 I CB 2.312 40.275 38.000 -0.061 0.000 1.240 879 I HN 0.855 nan 8.210 nan 0.000 0.423 880 E N 6.569 126.505 120.200 -0.441 0.000 2.344 880 E HA 0.229 4.577 4.350 -0.003 0.000 0.270 880 E C -0.834 175.594 176.600 -0.287 0.000 1.021 880 E CA -0.341 55.752 56.400 -0.513 0.000 0.887 880 E CB 0.909 30.144 29.700 -0.776 0.000 0.997 880 E HN 0.453 nan 8.360 nan 0.000 0.429 881 I N 5.355 125.794 120.570 -0.220 0.000 2.322 881 I HA 0.042 4.210 4.170 -0.003 0.000 0.292 881 I C -0.250 175.770 176.117 -0.161 0.000 1.060 881 I CA -0.643 60.489 61.300 -0.280 0.000 1.309 881 I CB 1.177 38.897 38.000 -0.466 0.000 1.415 881 I HN 0.351 nan 8.210 nan 0.000 0.492 882 V N 8.158 127.983 119.914 -0.148 0.000 2.421 882 V HA 0.026 4.144 4.120 -0.003 0.000 0.271 882 V C 0.746 176.857 176.094 0.030 0.000 1.031 882 V CA -0.487 61.755 62.300 -0.095 0.000 1.032 882 V CB -0.012 31.679 31.823 -0.221 0.000 1.009 882 V HN 0.554 nan 8.190 nan 0.000 0.477 883 K N 3.933 124.361 120.400 0.047 0.000 2.518 883 K HA -0.011 4.307 4.320 -0.003 0.000 0.276 883 K C 0.712 177.408 176.600 0.160 0.000 0.974 883 K CA 0.348 56.700 56.287 0.109 0.000 0.986 883 K CB -0.098 32.458 32.500 0.093 0.000 0.901 883 K HN 1.091 nan 8.250 nan 0.000 0.497 884 D N -1.001 119.517 120.400 0.197 0.000 2.982 884 D HA -0.173 4.465 4.640 -0.003 0.000 0.207 884 D C -0.842 175.621 176.300 0.270 0.000 1.258 884 D CA 0.994 55.127 54.000 0.221 0.000 0.758 884 D CB -0.855 40.050 40.800 0.175 0.000 0.886 884 D HN 0.577 nan 8.370 nan 0.000 0.389 885 A N 0.670 123.660 122.820 0.284 0.000 2.498 885 A HA 0.891 5.209 4.320 -0.003 0.000 0.298 885 A C -0.132 177.566 177.584 0.189 0.000 1.075 885 A CA -0.505 51.705 52.037 0.288 0.000 0.714 885 A CB 2.249 21.477 19.000 0.380 0.000 1.299 885 A HN 0.349 nan 8.150 nan 0.000 0.407 886 T N 0.471 115.047 114.554 0.036 0.000 2.864 886 T HA 0.562 4.910 4.350 -0.003 0.000 0.299 886 T C -0.175 174.374 174.700 -0.252 0.000 1.166 886 T CA -0.387 61.662 62.100 -0.086 0.000 1.007 886 T CB 1.581 70.384 68.868 -0.109 0.000 1.219 886 T HN 0.667 nan 8.240 nan 0.000 0.506 887 T N 1.699 116.103 114.554 -0.249 0.000 2.918 887 T HA 0.181 4.529 4.350 -0.003 0.000 0.302 887 T C 1.453 175.941 174.700 -0.353 0.000 1.045 887 T CA -0.290 61.623 62.100 -0.311 0.000 1.114 887 T CB 0.352 69.062 68.868 -0.264 0.000 0.965 887 T HN 0.349 nan 8.240 nan 0.000 0.540 888 I N 2.142 122.506 120.570 -0.342 0.000 2.439 888 I HA -0.047 4.121 4.170 -0.003 0.000 0.251 888 I C 2.410 178.351 176.117 -0.293 0.000 1.139 888 I CA 1.014 62.151 61.300 -0.272 0.000 1.438 888 I CB -0.750 37.183 38.000 -0.113 0.000 1.085 888 I HN 0.827 nan 8.210 nan 0.000 0.427 889 A N -0.136 122.471 122.820 -0.356 0.000 1.873 889 A HA -0.220 4.098 4.320 -0.003 0.000 0.215 889 A C 2.350 179.773 177.584 -0.268 0.000 1.186 889 A CA 1.528 53.337 52.037 -0.381 0.000 0.616 889 A CB -0.493 18.236 19.000 -0.451 0.000 0.823 889 A HN 0.307 nan 8.150 nan 0.000 0.442 890 K N -0.476 119.779 120.400 -0.242 0.000 2.152 890 K HA -0.068 4.250 4.320 -0.003 0.000 0.206 890 K C 1.756 178.257 176.600 -0.165 0.000 1.048 890 K CA 1.359 57.538 56.287 -0.179 0.000 0.933 890 K CB -0.348 32.057 32.500 -0.158 0.000 0.721 890 K HN 0.565 nan 8.250 nan 0.000 0.447 891 I N 1.003 121.428 120.570 -0.242 0.000 2.226 891 I HA -0.299 3.869 4.170 -0.003 0.000 0.245 891 I C 2.471 178.519 176.117 -0.114 0.000 1.100 891 I CA 1.102 62.258 61.300 -0.240 0.000 1.374 891 I CB -0.236 37.510 38.000 -0.423 0.000 1.057 891 I HN 0.220 nan 8.210 nan 0.000 0.413 892 Q N 0.592 120.317 119.800 -0.124 0.000 2.084 892 Q HA -0.230 4.108 4.340 -0.003 0.000 0.202 892 Q C 2.169 178.163 176.000 -0.009 0.000 0.978 892 Q CA 1.585 57.351 55.803 -0.063 0.000 0.844 892 Q CB -0.324 28.349 28.738 -0.108 0.000 0.898 892 Q HN 0.633 nan 8.270 nan 0.000 0.426 893 Q N -0.333 119.450 119.800 -0.029 0.000 2.124 893 Q HA -0.086 4.252 4.340 -0.003 0.000 0.202 893 Q C 2.281 178.281 176.000 -0.001 0.000 0.977 893 Q CA 1.283 57.084 55.803 -0.002 0.000 0.850 893 Q CB -0.028 28.687 28.738 -0.037 0.000 0.901 893 Q HN 0.192 nan 8.270 nan 0.000 0.429 894 S N 0.198 115.894 115.700 -0.007 0.000 2.343 894 S HA -0.137 4.331 4.470 -0.003 0.000 0.219 894 S C 2.025 176.636 174.600 0.019 0.000 1.033 894 S CA 1.627 59.837 58.200 0.016 0.000 1.014 894 S CB -0.348 62.881 63.200 0.048 0.000 0.915 894 S HN 0.407 nan 8.310 nan 0.000 0.435 895 T N 2.685 117.251 114.554 0.020 0.000 2.571 895 T HA 0.002 4.350 4.350 -0.003 0.000 0.255 895 T C 1.279 175.969 174.700 -0.016 0.000 1.100 895 T CA 1.192 63.292 62.100 0.001 0.000 1.199 895 T CB -0.431 68.430 68.868 -0.011 0.000 0.870 895 T HN 0.163 nan 8.240 nan 0.000 0.399 896 V N 0.724 120.626 119.914 -0.020 0.000 3.751 896 V HA 0.456 4.574 4.120 -0.003 0.000 0.279 896 V C 1.405 177.503 176.094 0.007 0.000 1.010 896 V CA -0.717 61.571 62.300 -0.020 0.000 1.015 896 V CB -0.535 31.271 31.823 -0.029 0.000 1.240 896 V HN 0.609 nan 8.190 nan 0.000 0.438 897 G N -0.039 108.768 108.800 0.012 0.000 2.544 897 G HA2 0.064 4.022 3.960 -0.003 0.000 0.242 897 G HA3 0.064 4.022 3.960 -0.003 0.000 0.242 897 G C 0.479 175.430 174.900 0.085 0.000 1.247 897 G CA -0.385 44.736 45.100 0.035 0.000 0.840 897 G HN 0.727 nan 8.290 nan 0.000 0.578 898 N N -0.226 118.525 118.700 0.084 0.000 2.521 898 N HA -0.065 4.673 4.740 -0.003 0.000 0.188 898 N C 1.474 177.128 175.510 0.239 0.000 1.146 898 N CA 1.322 54.434 53.050 0.103 0.000 0.893 898 N CB 0.440 38.955 38.487 0.047 0.000 0.975 898 N HN 0.669 nan 8.380 nan 0.000 0.451 899 T N -4.582 110.142 114.554 0.285 0.000 3.100 899 T HA 0.170 4.518 4.350 -0.003 0.000 0.255 899 T C 1.237 176.027 174.700 0.150 0.000 0.893 899 T CA 0.039 62.398 62.100 0.431 0.000 0.882 899 T CB 0.123 69.120 68.868 0.214 0.000 1.266 899 T HN 0.045 nan 8.240 nan 0.000 0.528 900 G N 1.817 110.654 108.800 0.062 0.000 2.504 900 G HA2 0.411 4.369 3.960 -0.003 0.000 0.291 900 G HA3 0.411 4.369 3.960 -0.003 0.000 0.291 900 G C 0.223 175.018 174.900 -0.175 0.000 1.345 900 G CA -0.190 44.877 45.100 -0.056 0.000 1.090 900 G HN 0.834 nan 8.290 nan 0.000 0.591 901 A N -0.738 121.938 122.820 -0.240 0.000 2.302 901 A HA 0.574 4.893 4.320 -0.003 0.000 0.295 901 A C -0.183 177.140 177.584 -0.435 0.000 1.235 901 A CA -0.649 51.136 52.037 -0.421 0.000 0.876 901 A CB -0.316 18.479 19.000 -0.342 0.000 1.133 901 A HN 0.387 nan 8.150 nan 0.000 0.533 902 F N 1.488 121.202 119.950 -0.395 0.000 2.637 902 F HA 0.035 4.560 4.527 -0.003 0.000 0.372 902 F C 1.097 176.382 175.800 -0.858 0.000 1.107 902 F CA 0.790 58.353 58.000 -0.728 0.000 1.325 902 F CB 0.190 38.418 39.000 -1.287 0.000 1.016 902 F HN 0.477 nan 8.300 nan 0.000 0.593 903 K N 1.823 122.013 120.400 -0.350 0.000 2.221 903 K HA 0.243 4.561 4.320 -0.003 0.000 0.243 903 K C 0.084 176.649 176.600 -0.058 0.000 0.968 903 K CA -0.836 55.319 56.287 -0.219 0.000 0.846 903 K CB 1.570 33.981 32.500 -0.149 0.000 1.141 903 K HN 0.374 nan 8.250 nan 0.000 0.434 904 D N 1.485 121.897 120.400 0.020 0.000 2.107 904 D HA -0.123 4.515 4.640 -0.003 0.000 0.204 904 D C 1.203 177.143 176.300 -0.600 0.000 0.978 904 D CA 1.411 55.409 54.000 -0.003 0.000 0.852 904 D CB 0.015 40.863 40.800 0.081 0.000 1.008 904 D HN 0.558 nan 8.370 nan 0.000 0.458 905 E N 0.789 120.375 120.200 -1.023 0.000 2.169 905 E HA -0.208 4.140 4.350 -0.003 0.000 0.202 905 E C 2.189 178.658 176.600 -0.218 0.000 1.016 905 E CA 1.122 56.895 56.400 -1.046 0.000 0.817 905 E CB -0.255 29.282 29.700 -0.271 0.000 0.736 905 E HN 0.050 nan 8.360 nan 0.000 0.462 906 V N 1.441 121.269 119.914 -0.142 0.000 2.256 906 V HA -0.372 3.746 4.120 -0.003 0.000 0.256 906 V C 2.274 178.463 176.094 0.158 0.000 1.060 906 V CA 2.335 64.643 62.300 0.014 0.000 1.081 906 V CB -1.001 30.820 31.823 -0.003 0.000 0.709 906 V HN 0.255 nan 8.190 nan 0.000 0.471 907 L N 0.174 121.483 121.223 0.144 0.000 1.971 907 L HA -0.178 4.160 4.340 -0.003 0.000 0.215 907 L C 2.676 179.723 176.870 0.296 0.000 1.072 907 L CA 2.636 57.595 54.840 0.197 0.000 0.758 907 L CB -1.092 41.072 42.059 0.174 0.000 0.889 907 L HN 0.433 nan 8.230 nan 0.000 0.433 908 S N -1.862 114.013 115.700 0.292 0.000 2.382 908 S HA -0.258 4.210 4.470 -0.003 0.000 0.228 908 S C 1.999 176.783 174.600 0.306 0.000 1.027 908 S CA 1.507 59.906 58.200 0.332 0.000 0.991 908 S CB -0.452 63.014 63.200 0.445 0.000 0.823 908 S HN 0.726 nan 8.310 nan 0.000 0.469 909 H N -1.468 117.744 119.070 0.237 0.000 2.387 909 H HA -0.092 4.462 4.556 -0.003 0.000 0.299 909 H C 1.559 177.000 175.328 0.189 0.000 1.099 909 H CA 2.158 58.304 56.048 0.164 0.000 1.315 909 H CB -0.303 29.523 29.762 0.107 0.000 1.380 909 H HN 0.651 nan 8.280 nan 0.000 0.513 910 W N 0.093 121.503 121.300 0.183 0.000 2.388 910 W HA -0.145 4.513 4.660 -0.003 0.000 0.294 910 W C 1.827 178.426 176.519 0.133 0.000 1.212 910 W CA 0.747 58.168 57.345 0.126 0.000 1.271 910 W CB -0.232 29.287 29.460 0.098 0.000 1.126 910 W HN 0.160 nan 8.180 nan 0.000 0.535 911 L N 1.451 122.922 121.223 0.412 0.000 2.023 911 L HA -0.138 4.201 4.340 -0.003 0.000 0.205 911 L C 2.565 179.572 176.870 0.228 0.000 1.073 911 L CA 1.897 56.916 54.840 0.298 0.000 0.745 911 L CB -1.296 41.020 42.059 0.428 0.000 0.900 911 L HN -0.224 nan 8.230 nan 0.000 0.435 912 K N -0.071 120.475 120.400 0.244 0.000 2.034 912 K HA -0.281 4.037 4.320 -0.003 0.000 0.214 912 K C 2.095 178.623 176.600 -0.119 0.000 1.051 912 K CA 1.985 58.170 56.287 -0.170 0.000 0.931 912 K CB -0.463 31.778 32.500 -0.431 0.000 0.715 912 K HN 0.475 nan 8.250 nan 0.000 0.446 913 E N 0.532 120.662 120.200 -0.117 0.000 2.153 913 E HA -0.204 4.144 4.350 -0.003 0.000 0.194 913 E C 1.724 178.204 176.600 -0.200 0.000 0.988 913 E CA 1.216 57.531 56.400 -0.142 0.000 0.811 913 E CB 0.140 29.766 29.700 -0.124 0.000 0.746 913 E HN -0.010 nan 8.360 nan 0.000 0.466 914 K N -0.021 120.185 120.400 -0.324 0.000 2.155 914 K HA -0.059 4.259 4.320 -0.003 0.000 0.203 914 K C 0.650 177.149 176.600 -0.167 0.000 1.052 914 K CA 0.985 57.039 56.287 -0.387 0.000 0.948 914 K CB 0.010 32.041 32.500 -0.782 0.000 0.728 914 K HN 0.273 nan 8.250 nan 0.000 0.448 915 C N -1.677 117.586 119.300 -0.063 0.000 3.164 915 C HA 0.497 4.955 4.460 -0.003 0.000 0.250 915 C C -1.906 173.110 174.990 0.043 0.000 1.151 915 C CA -2.403 56.624 59.018 0.016 0.000 1.449 915 C CB 0.744 28.525 27.740 0.068 0.000 1.825 915 C HN 0.090 nan 8.230 nan 0.000 0.478 916 P HA -0.180 nan 4.420 nan 0.000 0.212 916 P C 0.852 178.152 177.300 -0.001 0.000 1.174 916 P CA 1.272 64.355 63.100 -0.029 0.000 0.934 916 P CB -0.020 31.662 31.700 -0.031 0.000 0.791 917 I N 1.245 121.826 120.570 0.019 0.000 3.311 917 I HA -0.170 3.998 4.170 -0.003 0.000 0.304 917 I C 1.536 177.695 176.117 0.071 0.000 1.245 917 I CA 0.874 62.195 61.300 0.035 0.000 1.369 917 I CB -1.302 36.721 38.000 0.038 0.000 1.433 917 I HN 0.231 nan 8.210 nan 0.000 0.525 918 E N 4.354 124.587 120.200 0.054 0.000 2.301 918 E HA -0.243 4.105 4.350 -0.003 0.000 0.202 918 E C 1.438 178.124 176.600 0.144 0.000 1.017 918 E CA 1.417 57.873 56.400 0.094 0.000 0.831 918 E CB 0.199 29.926 29.700 0.046 0.000 0.742 918 E HN 0.652 nan 8.360 nan 0.000 0.491 919 E N 0.126 120.387 120.200 0.100 0.000 2.170 919 E HA -0.082 4.266 4.350 -0.003 0.000 0.191 919 E C 1.760 178.416 176.600 0.093 0.000 0.981 919 E CA 0.544 56.997 56.400 0.089 0.000 0.830 919 E CB 0.082 29.818 29.700 0.060 0.000 0.775 919 E HN 0.188 nan 8.360 nan 0.000 0.470 920 K N 0.319 120.780 120.400 0.101 0.000 2.186 920 K HA -0.035 4.283 4.320 -0.003 0.000 0.202 920 K C 1.919 178.585 176.600 0.110 0.000 1.052 920 K CA 0.417 56.757 56.287 0.087 0.000 0.965 920 K CB -0.083 32.463 32.500 0.076 0.000 0.746 920 K HN 0.031 nan 8.250 nan 0.000 0.457 921 F N 2.840 122.802 119.950 0.020 0.000 2.171 921 F HA -0.214 4.311 4.527 -0.003 0.000 0.300 921 F C 2.293 178.118 175.800 0.040 0.000 1.090 921 F CA 1.458 59.471 58.000 0.023 0.000 1.293 921 F CB 0.014 39.020 39.000 0.010 0.000 1.013 921 F HN -0.024 nan 8.300 nan 0.000 0.486 922 Q N 0.726 120.547 119.800 0.034 0.000 2.030 922 Q HA -0.214 4.124 4.340 -0.003 0.000 0.204 922 Q C 2.590 178.519 176.000 -0.117 0.000 0.986 922 Q CA 1.783 57.559 55.803 -0.046 0.000 0.843 922 Q CB -1.220 27.568 28.738 0.082 0.000 0.904 922 Q HN 0.543 nan 8.270 nan 0.000 0.420 923 A N 1.262 124.055 122.820 -0.046 0.000 1.917 923 A HA -0.181 4.137 4.320 -0.003 0.000 0.219 923 A C 2.374 179.923 177.584 -0.059 0.000 1.182 923 A CA 2.249 54.266 52.037 -0.032 0.000 0.633 923 A CB -0.820 18.181 19.000 0.003 0.000 0.819 923 A HN 0.414 nan 8.150 nan 0.000 0.448 924 A N -0.546 122.216 122.820 -0.096 0.000 1.892 924 A HA -0.085 4.233 4.320 -0.003 0.000 0.218 924 A C 2.210 179.727 177.584 -0.112 0.000 1.188 924 A CA 2.038 54.026 52.037 -0.081 0.000 0.631 924 A CB -1.071 17.867 19.000 -0.104 0.000 0.822 924 A HN 0.525 nan 8.150 nan 0.000 0.447 925 V N -0.002 119.731 119.914 -0.303 0.000 2.490 925 V HA -0.233 3.886 4.120 -0.003 0.000 0.250 925 V C 2.513 178.538 176.094 -0.114 0.000 1.061 925 V CA 2.358 64.499 62.300 -0.265 0.000 1.064 925 V CB -0.766 30.822 31.823 -0.391 0.000 0.670 925 V HN 0.751 nan 8.190 nan 0.000 0.461 926 E N 0.606 120.750 120.200 -0.093 0.000 2.047 926 E HA -0.178 4.170 4.350 -0.003 0.000 0.191 926 E C 2.421 179.094 176.600 0.121 0.000 0.987 926 E CA 1.279 57.674 56.400 -0.008 0.000 0.799 926 E CB -0.213 29.485 29.700 -0.003 0.000 0.752 926 E HN 0.334 nan 8.360 nan 0.000 0.449 927 R N -0.457 120.091 120.500 0.080 0.000 2.083 927 R HA -0.160 4.178 4.340 -0.003 0.000 0.237 927 R C 2.398 178.788 176.300 0.151 0.000 1.137 927 R CA 1.519 57.678 56.100 0.098 0.000 0.951 927 R CB -0.946 29.402 30.300 0.079 0.000 0.851 927 R HN 0.320 nan 8.270 nan 0.000 0.434 928 F N 1.326 121.273 119.950 -0.005 0.000 2.192 928 F HA -0.220 4.305 4.527 -0.003 0.000 0.301 928 F C 2.124 177.906 175.800 -0.029 0.000 1.079 928 F CA 1.134 59.114 58.000 -0.034 0.000 1.303 928 F CB -0.014 38.940 39.000 -0.078 0.000 1.024 928 F HN -0.249 nan 8.300 nan 0.000 0.494 929 V N -0.975 119.067 119.914 0.213 0.000 2.323 929 V HA -0.287 3.831 4.120 -0.003 0.000 0.244 929 V C 1.987 178.089 176.094 0.013 0.000 1.041 929 V CA 1.911 64.275 62.300 0.107 0.000 1.025 929 V CB -1.024 30.784 31.823 -0.025 0.000 0.656 929 V HN 0.290 nan 8.190 nan 0.000 0.451 930 Y N 1.556 121.822 120.300 -0.057 0.000 2.163 930 Y HA -0.226 4.322 4.550 -0.003 0.000 0.288 930 Y C 2.989 178.808 175.900 -0.134 0.000 1.136 930 Y CA 1.808 59.828 58.100 -0.132 0.000 1.147 930 Y CB -0.808 37.542 38.460 -0.184 0.000 0.987 930 Y HN 0.383 nan 8.280 nan 0.000 0.509 931 S N -1.018 114.724 115.700 0.071 0.000 2.359 931 S HA -0.314 4.154 4.470 -0.003 0.000 0.224 931 S C 2.232 176.866 174.600 0.057 0.000 1.035 931 S CA 1.209 59.453 58.200 0.074 0.000 1.018 931 S CB -1.517 61.737 63.200 0.090 0.000 0.876 931 S HN 0.635 nan 8.310 nan 0.000 0.448 932 C N 2.468 121.676 119.300 -0.153 0.000 2.401 932 C HA 0.006 4.464 4.460 -0.003 0.000 0.276 932 C C 3.107 178.155 174.990 0.098 0.000 1.233 932 C CA 1.196 60.109 59.018 -0.175 0.000 1.753 932 C CB -1.861 25.608 27.740 -0.451 0.000 2.029 932 C HN 0.700 nan 8.230 nan 0.000 0.478 933 A N 0.519 123.394 122.820 0.093 0.000 1.855 933 A HA 0.123 4.441 4.320 -0.003 0.000 0.215 933 A C 2.565 180.022 177.584 -0.213 0.000 1.191 933 A CA 2.199 54.174 52.037 -0.104 0.000 0.613 933 A CB -1.706 17.081 19.000 -0.355 0.000 0.829 933 A HN 0.752 nan 8.150 nan 0.000 0.442 934 G N -1.392 107.265 108.800 -0.238 0.000 2.529 934 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.219 934 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.219 934 G C 1.482 176.266 174.900 -0.194 0.000 1.177 934 G CA 1.469 46.379 45.100 -0.316 0.000 0.773 934 G HN 0.544 nan 8.290 nan 0.000 0.573 935 Y N 0.021 120.310 120.300 -0.018 0.000 2.242 935 Y HA -0.080 4.468 4.550 -0.003 0.000 0.291 935 Y C 3.176 179.032 175.900 -0.074 0.000 1.137 935 Y CA 0.767 58.839 58.100 -0.046 0.000 1.181 935 Y CB -0.555 37.856 38.460 -0.082 0.000 0.989 935 Y HN 0.243 nan 8.280 nan 0.000 0.527 936 C N -1.226 118.072 119.300 -0.003 0.000 2.432 936 C HA -0.132 4.326 4.460 -0.003 0.000 0.277 936 C C 2.758 177.682 174.990 -0.109 0.000 1.249 936 C CA 1.029 59.879 59.018 -0.281 0.000 1.725 936 C CB -1.066 26.226 27.740 -0.747 0.000 2.028 936 C HN 0.346 nan 8.230 nan 0.000 0.477 937 V N 1.255 121.137 119.914 -0.052 0.000 2.358 937 V HA -0.155 3.963 4.120 -0.003 0.000 0.246 937 V C 2.681 178.934 176.094 0.265 0.000 1.047 937 V CA 2.102 64.451 62.300 0.081 0.000 1.035 937 V CB -1.331 30.404 31.823 -0.146 0.000 0.658 937 V HN 0.585 nan 8.190 nan 0.000 0.452 938 A N -0.418 122.524 122.820 0.203 0.000 1.865 938 A HA -0.286 4.032 4.320 -0.003 0.000 0.217 938 A C 2.484 180.170 177.584 0.171 0.000 1.191 938 A CA 2.739 54.874 52.037 0.163 0.000 0.623 938 A CB -1.156 17.868 19.000 0.039 0.000 0.826 938 A HN 0.446 nan 8.150 nan 0.000 0.444 939 T N -1.928 112.738 114.554 0.188 0.000 2.867 939 T HA -0.113 4.235 4.350 -0.003 0.000 0.268 939 T C 1.541 176.442 174.700 0.334 0.000 1.057 939 T CA 1.595 63.835 62.100 0.234 0.000 1.136 939 T CB -0.428 68.556 68.868 0.194 0.000 0.874 939 T HN 0.410 nan 8.240 nan 0.000 0.466 940 F N 1.287 121.411 119.950 0.289 0.000 2.113 940 F HA 0.033 4.558 4.527 -0.003 0.000 0.297 940 F C 2.179 178.204 175.800 0.376 0.000 1.103 940 F CA 0.954 59.193 58.000 0.398 0.000 1.248 940 F CB -0.629 38.683 39.000 0.520 0.000 0.999 940 F HN -0.033 nan 8.300 nan 0.000 0.475 941 V N 0.908 120.984 119.914 0.271 0.000 2.490 941 V HA -0.282 3.836 4.120 -0.003 0.000 0.250 941 V C 2.260 178.367 176.094 0.023 0.000 1.061 941 V CA 1.784 64.146 62.300 0.102 0.000 1.064 941 V CB -0.731 31.199 31.823 0.178 0.000 0.670 941 V HN 0.369 nan 8.190 nan 0.000 0.461 942 L N 0.203 121.477 121.223 0.085 0.000 2.554 942 L HA 0.279 4.617 4.340 -0.003 0.000 0.226 942 L C 1.647 178.552 176.870 0.058 0.000 1.137 942 L CA 0.791 55.695 54.840 0.106 0.000 0.863 942 L CB -0.490 41.670 42.059 0.169 0.000 0.985 942 L HN 0.520 nan 8.230 nan 0.000 0.451 943 G N 0.930 109.699 108.800 -0.052 0.000 2.198 943 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.257 943 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.257 943 G C 0.260 175.092 174.900 -0.112 0.000 1.042 943 G CA 0.355 45.160 45.100 -0.491 0.000 0.791 943 G HN 0.306 nan 8.290 nan 0.000 0.502 944 I N 0.133 120.764 120.570 0.102 0.000 4.160 944 I HA 0.374 4.542 4.170 -0.003 0.000 0.325 944 I C 2.056 178.345 176.117 0.287 0.000 1.455 944 I CA 0.660 62.086 61.300 0.209 0.000 1.142 944 I CB 0.182 38.330 38.000 0.246 0.000 1.262 944 I HN 0.123 nan 8.210 nan 0.000 0.483 945 G N -0.132 108.859 108.800 0.318 0.000 2.448 945 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.219 945 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.219 945 G C 0.679 175.803 174.900 0.374 0.000 1.127 945 G CA 0.363 45.712 45.100 0.415 0.000 0.766 945 G HN 0.391 nan 8.290 nan 0.000 0.552 946 D N 0.772 121.360 120.400 0.313 0.000 2.422 946 D HA 0.277 4.915 4.640 -0.003 0.000 0.227 946 D C 0.691 177.162 176.300 0.286 0.000 1.190 946 D CA -0.407 53.786 54.000 0.323 0.000 0.905 946 D CB -0.040 40.969 40.800 0.348 0.000 1.034 946 D HN 0.462 nan 8.370 nan 0.000 0.507 947 R N 1.928 122.483 120.500 0.092 0.000 2.799 947 R HA 0.442 4.780 4.340 -0.003 0.000 0.270 947 R C -0.512 175.417 176.300 -0.618 0.000 1.010 947 R CA -1.021 54.901 56.100 -0.297 0.000 0.916 947 R CB 0.592 30.797 30.300 -0.157 0.000 1.228 947 R HN 0.243 nan 8.270 nan 0.000 0.469 948 H N 0.690 119.046 119.070 -1.190 0.000 2.757 948 H HA 0.094 4.648 4.556 -0.003 0.000 0.370 948 H C 0.715 175.743 175.328 -0.500 0.000 1.172 948 H CA 0.329 55.848 56.048 -0.881 0.000 1.426 948 H CB 0.925 30.212 29.762 -0.792 0.000 1.438 948 H HN 0.636 nan 8.280 nan 0.000 0.612 949 N N 1.590 119.681 118.700 -1.016 0.000 2.205 949 N HA -0.172 4.566 4.740 -0.003 0.000 0.186 949 N C 0.991 176.072 175.510 -0.714 0.000 1.015 949 N CA 1.335 53.894 53.050 -0.819 0.000 0.862 949 N CB -0.189 37.786 38.487 -0.853 0.000 0.986 949 N HN 0.686 nan 8.380 nan 0.000 0.429 950 D N -0.422 119.496 120.400 -0.802 0.000 2.310 950 D HA 0.027 4.665 4.640 -0.003 0.000 0.212 950 D C 0.347 176.444 176.300 -0.339 0.000 0.965 950 D CA 0.751 54.504 54.000 -0.412 0.000 0.879 950 D CB -0.212 40.499 40.800 -0.147 0.000 0.921 950 D HN 0.335 nan 8.370 nan 0.000 0.510 951 N N -0.854 117.615 118.700 -0.385 0.000 2.279 951 N HA 0.219 4.957 4.740 -0.003 0.000 0.226 951 N C -0.581 174.629 175.510 -0.501 0.000 1.126 951 N CA -0.111 52.708 53.050 -0.385 0.000 0.846 951 N CB 0.920 39.196 38.487 -0.351 0.000 1.050 951 N HN 0.137 nan 8.380 nan 0.000 0.502 952 I N 0.817 121.070 120.570 -0.528 0.000 2.582 952 I HA 0.403 4.571 4.170 -0.003 0.000 0.292 952 I C -0.588 175.184 176.117 -0.576 0.000 1.066 952 I CA -0.601 60.324 61.300 -0.624 0.000 1.053 952 I CB 1.975 39.635 38.000 -0.567 0.000 1.241 952 I HN -0.167 nan 8.210 nan 0.000 0.421 953 M N 5.817 124.946 119.600 -0.786 0.000 2.690 953 M HA 0.630 5.108 4.480 -0.003 0.000 0.302 953 M C -1.115 174.760 176.300 -0.708 0.000 1.234 953 M CA -0.815 54.001 55.300 -0.807 0.000 0.853 953 M CB 3.452 35.373 32.600 -1.131 0.000 1.748 953 M HN 0.466 nan 8.290 nan 0.000 0.469 954 I N 0.738 121.079 120.570 -0.382 0.000 2.722 954 I HA 0.446 4.614 4.170 -0.003 0.000 0.295 954 I C -0.654 175.555 176.117 0.154 0.000 1.161 954 I CA -0.307 60.935 61.300 -0.097 0.000 1.032 954 I CB 2.295 40.219 38.000 -0.128 0.000 1.244 954 I HN 0.886 nan 8.210 nan 0.000 0.421 955 S N 3.722 119.620 115.700 0.329 0.000 2.654 955 S HA 0.380 4.848 4.470 -0.003 0.000 0.283 955 S C 0.266 175.137 174.600 0.452 0.000 1.180 955 S CA -0.655 57.772 58.200 0.379 0.000 1.021 955 S CB 1.580 64.960 63.200 0.299 0.000 1.018 955 S HN 0.703 nan 8.310 nan 0.000 0.532 956 E N 0.419 120.859 120.200 0.400 0.000 2.461 956 E HA 0.023 4.371 4.350 -0.003 0.000 0.196 956 E C 0.327 177.022 176.600 0.157 0.000 1.129 956 E CA 0.226 56.768 56.400 0.236 0.000 0.902 956 E CB -0.095 29.658 29.700 0.088 0.000 0.963 956 E HN 0.674 nan 8.360 nan 0.000 0.503 957 T N -1.392 113.280 114.554 0.196 0.000 3.058 957 T HA 0.245 4.593 4.350 -0.003 0.000 0.278 957 T C 1.026 175.814 174.700 0.147 0.000 0.974 957 T CA 0.589 62.771 62.100 0.135 0.000 0.893 957 T CB 0.587 69.523 68.868 0.113 0.000 1.138 957 T HN 0.380 nan 8.240 nan 0.000 0.529 958 G N 1.962 110.896 108.800 0.222 0.000 2.175 958 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.244 958 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.244 958 G C 0.017 175.064 174.900 0.246 0.000 0.982 958 G CA -0.180 45.069 45.100 0.248 0.000 0.641 958 G HN 0.494 nan 8.290 nan 0.000 0.527 959 N N 0.380 119.210 118.700 0.216 0.000 2.458 959 N HA 0.508 5.246 4.740 -0.003 0.000 0.270 959 N C -0.050 175.592 175.510 0.220 0.000 1.102 959 N CA -0.116 53.052 53.050 0.198 0.000 0.967 959 N CB 1.182 39.785 38.487 0.194 0.000 1.078 959 N HN 0.475 nan 8.380 nan 0.000 0.471 960 L N 4.238 125.502 121.223 0.070 0.000 2.334 960 L HA 0.732 5.070 4.340 -0.003 0.000 0.272 960 L C -1.136 175.774 176.870 0.066 0.000 1.020 960 L CA -0.590 54.188 54.840 -0.103 0.000 0.812 960 L CB 0.765 42.511 42.059 -0.521 0.000 1.264 960 L HN 0.514 nan 8.230 nan 0.000 0.439 961 F N 0.261 119.990 119.950 -0.368 0.000 2.688 961 F HA 0.473 4.998 4.527 -0.003 0.000 0.308 961 F C -1.202 174.288 175.800 -0.518 0.000 1.117 961 F CA -0.952 56.617 58.000 -0.717 0.000 0.976 961 F CB 0.706 39.633 39.000 -0.123 0.000 1.291 961 F HN 0.477 nan 8.300 nan 0.000 0.439 962 H N 2.755 121.373 119.070 -0.753 0.000 2.488 962 H HA 0.834 5.388 4.556 -0.003 0.000 0.347 962 H C -0.219 174.972 175.328 -0.228 0.000 1.174 962 H CA -0.247 55.559 56.048 -0.404 0.000 1.307 962 H CB 2.481 32.133 29.762 -0.184 0.000 1.517 962 H HN 0.813 nan 8.280 nan 0.000 0.554 963 I N -2.440 117.890 120.570 -0.399 0.000 3.467 963 I HA 0.308 4.476 4.170 -0.003 0.000 0.314 963 I C -0.823 174.956 176.117 -0.564 0.000 1.177 963 I CA -1.122 59.985 61.300 -0.321 0.000 0.943 963 I CB 1.937 39.826 38.000 -0.185 0.000 1.338 963 I HN 0.551 nan 8.210 nan 0.000 0.482 964 D N 1.209 121.482 120.400 -0.211 0.000 3.003 964 D HA -0.231 4.407 4.640 -0.003 0.000 0.223 964 D C -1.356 174.841 176.300 -0.172 0.000 1.204 964 D CA 0.803 54.735 54.000 -0.112 0.000 0.828 964 D CB -0.886 39.842 40.800 -0.119 0.000 0.918 964 D HN 0.452 nan 8.370 nan 0.000 0.401 965 F N 0.844 120.855 119.950 0.102 0.000 2.404 965 F HA 0.429 4.954 4.527 -0.003 0.000 0.359 965 F C 1.884 177.721 175.800 0.062 0.000 1.134 965 F CA 0.028 58.078 58.000 0.084 0.000 1.160 965 F CB 1.103 40.148 39.000 0.074 0.000 1.186 965 F HN 0.234 nan 8.300 nan 0.000 0.526 966 G N 2.060 110.977 108.800 0.195 0.000 2.404 966 G HA2 -0.122 3.837 3.960 -0.003 0.000 0.213 966 G HA3 -0.122 3.837 3.960 -0.003 0.000 0.213 966 G C 0.524 175.538 174.900 0.191 0.000 1.189 966 G CA 0.405 45.601 45.100 0.160 0.000 0.796 966 G HN 0.561 nan 8.290 nan 0.000 0.532 984 P HA -0.001 nan 4.420 nan 0.000 0.218 984 P C -0.038 177.415 177.300 0.254 0.000 1.149 984 P CA 1.589 64.691 63.100 0.002 0.000 0.817 984 P CB 0.024 31.410 31.700 -0.525 0.000 0.785 985 F N -4.504 115.563 119.950 0.195 0.000 2.926 985 F HA 0.439 4.964 4.527 -0.003 0.000 0.321 985 F C -1.406 174.492 175.800 0.163 0.000 1.168 985 F CA -1.711 56.426 58.000 0.228 0.000 0.890 985 F CB 0.327 39.481 39.000 0.256 0.000 1.357 985 F HN -0.467 nan 8.300 nan 0.000 0.468 986 V N 2.324 122.556 119.914 0.531 0.000 2.334 986 V HA 0.511 4.629 4.120 -0.003 0.000 0.267 986 V C -0.741 175.520 176.094 0.279 0.000 1.040 986 V CA -0.143 62.315 62.300 0.263 0.000 0.866 986 V CB 0.735 32.637 31.823 0.132 0.000 1.019 986 V HN 0.658 nan 8.190 nan 0.000 0.468 987 L N 6.511 127.812 121.223 0.130 0.000 2.475 987 L HA 0.448 4.786 4.340 -0.003 0.000 0.253 987 L C 0.607 177.366 176.870 -0.185 0.000 1.483 987 L CA 0.114 55.032 54.840 0.131 0.000 0.869 987 L CB 1.067 43.363 42.059 0.395 0.000 1.086 987 L HN 0.713 nan 8.230 nan 0.000 0.514 988 T N -0.272 113.914 114.554 -0.612 0.000 2.813 988 T HA 0.328 4.676 4.350 -0.003 0.000 0.297 988 T C -1.791 172.543 174.700 -0.609 0.000 1.036 988 T CA -1.223 60.406 62.100 -0.785 0.000 1.044 988 T CB 0.407 68.590 68.868 -1.143 0.000 0.993 988 T HN 0.219 nan 8.240 nan 0.000 0.535 989 P HA -0.154 nan 4.420 nan 0.000 0.217 989 P C 1.395 178.724 177.300 0.048 0.000 1.148 989 P CA 1.230 64.148 63.100 -0.304 0.000 0.828 989 P CB -0.060 31.460 31.700 -0.300 0.000 0.783 990 D N -1.225 119.201 120.400 0.042 0.000 2.144 990 D HA -0.189 4.449 4.640 -0.003 0.000 0.199 990 D C 1.732 178.298 176.300 0.444 0.000 0.984 990 D CA 1.245 55.456 54.000 0.351 0.000 0.834 990 D CB -1.246 39.840 40.800 0.478 0.000 0.955 990 D HN 0.098 nan 8.370 nan 0.000 0.465 991 F N 1.184 121.213 119.950 0.131 0.000 2.075 991 F HA 0.037 4.562 4.527 -0.003 0.000 0.297 991 F C 2.647 178.540 175.800 0.155 0.000 1.113 991 F CA 0.194 58.339 58.000 0.242 0.000 1.218 991 F CB -1.187 37.947 39.000 0.223 0.000 0.984 991 F HN -0.073 nan 8.300 nan 0.000 0.472 992 L N -1.362 120.042 121.223 0.302 0.000 2.081 992 L HA -0.283 4.055 4.340 -0.003 0.000 0.212 992 L C 2.465 179.453 176.870 0.197 0.000 1.080 992 L CA 1.449 56.411 54.840 0.203 0.000 0.754 992 L CB -0.944 41.185 42.059 0.117 0.000 0.893 992 L HN 0.037 nan 8.230 nan 0.000 0.433 993 F N 0.299 120.310 119.950 0.100 0.000 2.095 993 F HA -0.216 4.309 4.527 -0.003 0.000 0.298 993 F C 2.284 178.117 175.800 0.056 0.000 1.104 993 F CA 1.608 59.662 58.000 0.091 0.000 1.232 993 F CB -0.175 38.908 39.000 0.139 0.000 0.987 993 F HN -0.250 nan 8.300 nan 0.000 0.475 994 V N 0.679 120.732 119.914 0.232 0.000 2.720 994 V HA -0.322 3.796 4.120 -0.003 0.000 0.256 994 V C 2.090 178.168 176.094 -0.026 0.000 1.082 994 V CA 1.967 64.267 62.300 0.000 0.000 1.101 994 V CB -0.731 30.804 31.823 -0.480 0.000 0.693 994 V HN 0.410 nan 8.190 nan 0.000 0.479 995 M N -0.119 119.506 119.600 0.043 0.000 2.556 995 M HA 0.300 4.778 4.480 -0.003 0.000 0.245 995 M C 1.194 177.545 176.300 0.084 0.000 1.128 995 M CA 0.907 56.295 55.300 0.148 0.000 1.069 995 M CB 0.196 32.911 32.600 0.192 0.000 1.469 995 M HN 0.457 nan 8.290 nan 0.000 0.494 996 G N 2.169 110.927 108.800 -0.071 0.000 2.851 996 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.272 996 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.272 996 G C -0.449 174.358 174.900 -0.156 0.000 1.100 996 G CA -0.289 44.693 45.100 -0.196 0.000 1.197 996 G HN 0.326 nan 8.290 nan 0.000 0.561 997 T N 0.452 114.897 114.554 -0.180 0.000 3.578 997 T HA 0.525 4.873 4.350 -0.003 0.000 0.329 997 T C 0.005 174.659 174.700 -0.077 0.000 0.913 997 T CA 0.213 62.233 62.100 -0.132 0.000 1.029 997 T CB 1.386 70.162 68.868 -0.153 0.000 1.045 997 T HN 1.216 nan 8.240 nan 0.000 0.460 998 S N 2.368 118.028 115.700 -0.066 0.000 2.586 998 S HA 0.672 5.140 4.470 -0.003 0.000 0.274 998 S C 1.565 176.170 174.600 0.009 0.000 1.281 998 S CA 0.978 59.193 58.200 0.024 0.000 1.035 998 S CB 0.540 63.757 63.200 0.027 0.000 0.962 998 S HN 1.314 nan 8.310 nan 0.000 0.512 999 G N 3.676 112.506 108.800 0.049 0.000 3.434 999 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.343 999 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.343 999 G C 0.079 174.964 174.900 -0.024 0.000 1.240 999 G CA 1.147 46.259 45.100 0.021 0.000 0.996 999 G HN 1.692 nan 8.290 nan 0.000 0.650 1000 K N -0.099 120.264 120.400 -0.062 0.000 3.118 1000 K HA 0.426 4.744 4.320 -0.003 0.000 0.199 1000 K C -0.190 176.332 176.600 -0.130 0.000 1.379 1000 K CA 0.321 56.539 56.287 -0.114 0.000 0.742 1000 K CB -0.154 32.296 32.500 -0.084 0.000 1.201 1000 K HN 0.702 nan 8.250 nan 0.000 0.499 1001 K N 0.153 120.463 120.400 -0.149 0.000 2.954 1001 K HA 0.215 4.533 4.320 -0.003 0.000 0.274 1001 K C -0.455 176.057 176.600 -0.147 0.000 1.929 1001 K CA -0.186 56.026 56.287 -0.126 0.000 1.134 1001 K CB -0.298 32.158 32.500 -0.073 0.000 2.612 1001 K HN 0.175 nan 8.250 nan 0.000 0.579 1002 T N 2.471 116.962 114.554 -0.105 0.000 2.809 1002 T HA -0.009 4.340 4.350 -0.003 0.000 0.283 1002 T C -0.209 174.427 174.700 -0.107 0.000 1.031 1002 T CA 0.804 62.852 62.100 -0.088 0.000 1.135 1002 T CB -0.106 68.713 68.868 -0.081 0.000 1.070 1002 T HN 0.513 nan 8.240 nan 0.000 0.488 1003 S N 2.006 117.686 115.700 -0.034 0.000 2.461 1003 S HA 0.398 4.867 4.470 -0.003 0.000 0.245 1003 S C -0.255 174.417 174.600 0.120 0.000 1.039 1003 S CA -0.894 57.344 58.200 0.063 0.000 1.077 1003 S CB 0.922 64.183 63.200 0.102 0.000 1.171 1003 S HN 0.477 nan 8.310 nan 0.000 0.433 1004 L N 1.455 122.734 121.223 0.094 0.000 2.541 1004 L HA 0.526 4.864 4.340 -0.003 0.000 0.187 1004 L C 1.726 178.711 176.870 0.192 0.000 1.098 1004 L CA 1.443 56.324 54.840 0.067 0.000 0.846 1004 L CB -0.668 41.338 42.059 -0.088 0.000 1.151 1004 L HN 0.812 nan 8.230 nan 0.000 0.492 1005 H N -1.090 118.042 119.070 0.103 0.000 2.495 1005 H HA -0.005 4.549 4.556 -0.003 0.000 0.287 1005 H C 1.793 177.206 175.328 0.142 0.000 1.033 1005 H CA 1.183 57.286 56.048 0.091 0.000 1.307 1005 H CB -0.271 29.531 29.762 0.066 0.000 1.401 1005 H HN 0.399 nan 8.280 nan 0.000 0.555 1006 F N 1.518 121.574 119.950 0.176 0.000 2.234 1006 F HA -0.143 4.383 4.527 -0.003 0.000 0.299 1006 F C 2.295 178.217 175.800 0.203 0.000 1.087 1006 F CA 1.078 59.182 58.000 0.172 0.000 1.340 1006 F CB 0.086 39.146 39.000 0.101 0.000 1.031 1006 F HN 0.073 nan 8.300 nan 0.000 0.500 1007 Q N -0.030 119.933 119.800 0.271 0.000 2.020 1007 Q HA -0.256 4.082 4.340 -0.003 0.000 0.202 1007 Q C 2.214 178.227 176.000 0.021 0.000 0.982 1007 Q CA 1.796 57.686 55.803 0.145 0.000 0.838 1007 Q CB -0.281 28.539 28.738 0.137 0.000 0.899 1007 Q HN 0.126 nan 8.270 nan 0.000 0.423 1008 K N 0.724 121.145 120.400 0.035 0.000 2.074 1008 K HA -0.198 4.120 4.320 -0.003 0.000 0.209 1008 K C 1.638 178.136 176.600 -0.169 0.000 1.048 1008 K CA 1.312 57.556 56.287 -0.072 0.000 0.926 1008 K CB -0.677 31.785 32.500 -0.064 0.000 0.713 1008 K HN 0.139 nan 8.250 nan 0.000 0.444 1009 F N 1.745 121.527 119.950 -0.280 0.000 2.025 1009 F HA -0.301 4.224 4.527 -0.003 0.000 0.297 1009 F C 2.026 177.611 175.800 -0.358 0.000 1.132 1009 F CA 2.262 60.049 58.000 -0.355 0.000 1.191 1009 F CB -0.827 37.944 39.000 -0.381 0.000 0.963 1009 F HN 0.184 nan 8.300 nan 0.000 0.481 1010 Q N -0.332 119.185 119.800 -0.471 0.000 2.096 1010 Q HA -0.316 4.022 4.340 -0.003 0.000 0.208 1010 Q C 1.964 177.754 176.000 -0.350 0.000 0.993 1010 Q CA 2.138 57.665 55.803 -0.459 0.000 0.862 1010 Q CB -0.713 27.883 28.738 -0.238 0.000 0.915 1010 Q HN 0.590 nan 8.270 nan 0.000 0.416 1011 D N 0.183 120.428 120.400 -0.258 0.000 2.106 1011 D HA -0.167 4.471 4.640 -0.003 0.000 0.191 1011 D C 1.820 177.949 176.300 -0.284 0.000 0.997 1011 D CA 1.583 55.458 54.000 -0.209 0.000 0.834 1011 D CB -0.042 40.666 40.800 -0.152 0.000 0.956 1011 D HN 0.065 nan 8.370 nan 0.000 0.448 1012 V N 0.157 119.838 119.914 -0.388 0.000 2.255 1012 V HA -0.337 3.781 4.120 -0.003 0.000 0.247 1012 V C 2.939 178.735 176.094 -0.496 0.000 1.051 1012 V CA 1.792 63.825 62.300 -0.446 0.000 1.018 1012 V CB -0.897 30.575 31.823 -0.585 0.000 0.641 1012 V HN 0.468 nan 8.190 nan 0.000 0.445 1013 C N -0.197 118.738 119.300 -0.608 0.000 2.385 1013 C HA -0.180 4.278 4.460 -0.003 0.000 0.275 1013 C C 2.759 177.404 174.990 -0.574 0.000 1.207 1013 C CA 1.373 60.005 59.018 -0.644 0.000 1.760 1013 C CB -1.097 26.291 27.740 -0.588 0.000 2.051 1013 C HN 0.485 nan 8.230 nan 0.000 0.467 1014 V N 0.714 120.413 119.914 -0.358 0.000 2.270 1014 V HA -0.223 3.895 4.120 -0.003 0.000 0.245 1014 V C 2.466 178.449 176.094 -0.185 0.000 1.043 1014 V CA 2.088 64.272 62.300 -0.194 0.000 1.014 1014 V CB -0.769 31.009 31.823 -0.075 0.000 0.645 1014 V HN 0.534 nan 8.190 nan 0.000 0.447 1015 K N 0.165 120.441 120.400 -0.207 0.000 2.211 1015 K HA -0.166 4.152 4.320 -0.003 0.000 0.204 1015 K C 2.121 178.585 176.600 -0.227 0.000 1.047 1015 K CA 1.410 57.588 56.287 -0.181 0.000 0.935 1015 K CB -0.232 32.169 32.500 -0.165 0.000 0.728 1015 K HN 0.473 nan 8.250 nan 0.000 0.452 1016 A N 0.093 122.707 122.820 -0.344 0.000 1.897 1016 A HA -0.157 4.161 4.320 -0.003 0.000 0.215 1016 A C 1.956 179.496 177.584 -0.074 0.000 1.181 1016 A CA 0.974 52.757 52.037 -0.424 0.000 0.620 1016 A CB -0.657 17.886 19.000 -0.763 0.000 0.821 1016 A HN 0.498 nan 8.150 nan 0.000 0.443 1017 Y N 1.539 121.631 120.300 -0.347 0.000 2.163 1017 Y HA -0.113 4.435 4.550 -0.003 0.000 0.288 1017 Y C 1.881 177.689 175.900 -0.153 0.000 1.136 1017 Y CA 1.637 59.565 58.100 -0.287 0.000 1.147 1017 Y CB -0.492 37.609 38.460 -0.598 0.000 0.987 1017 Y HN 0.283 nan 8.280 nan 0.000 0.509 1018 L N -0.631 120.394 121.223 -0.330 0.000 2.376 1018 L HA 0.253 4.591 4.340 -0.003 0.000 0.219 1018 L C 2.223 178.766 176.870 -0.545 0.000 1.133 1018 L CA 1.610 56.185 54.840 -0.442 0.000 0.816 1018 L CB -1.429 40.473 42.059 -0.263 0.000 0.933 1018 L HN 0.078 nan 8.230 nan 0.000 0.449 1019 A N 0.507 123.140 122.820 -0.312 0.000 1.968 1019 A HA 0.091 4.409 4.320 -0.003 0.000 0.217 1019 A C 2.263 179.782 177.584 -0.107 0.000 1.169 1019 A CA 1.348 53.249 52.037 -0.227 0.000 0.638 1019 A CB -0.664 18.402 19.000 0.111 0.000 0.812 1019 A HN 0.480 nan 8.150 nan 0.000 0.446 1020 L N -0.913 120.282 121.223 -0.046 0.000 2.156 1020 L HA -0.116 4.222 4.340 -0.003 0.000 0.208 1020 L C 2.689 179.519 176.870 -0.068 0.000 1.095 1020 L CA 0.912 55.719 54.840 -0.054 0.000 0.770 1020 L CB -0.444 41.614 42.059 -0.000 0.000 0.914 1020 L HN 0.357 nan 8.230 nan 0.000 0.439 1021 R N -0.605 119.766 120.500 -0.216 0.000 2.120 1021 R HA -0.159 4.179 4.340 -0.003 0.000 0.234 1021 R C 1.890 178.174 176.300 -0.027 0.000 1.123 1021 R CA 1.229 57.218 56.100 -0.186 0.000 0.975 1021 R CB -0.623 29.479 30.300 -0.330 0.000 0.866 1021 R HN 0.537 nan 8.270 nan 0.000 0.446 1022 H N -0.781 118.281 119.070 -0.015 0.000 2.560 1022 H HA -0.034 4.520 4.556 -0.003 0.000 0.283 1022 H C 0.495 175.700 175.328 -0.204 0.000 1.028 1022 H CA 0.410 56.414 56.048 -0.074 0.000 1.221 1022 H CB 0.126 29.872 29.762 -0.027 0.000 1.363 1022 H HN 0.348 nan 8.280 nan 0.000 0.594 1023 H N -0.789 118.296 119.070 0.025 0.000 2.562 1023 H HA 0.103 4.657 4.556 -0.003 0.000 0.249 1023 H C 0.875 176.186 175.328 -0.028 0.000 1.195 1023 H CA -0.077 55.966 56.048 -0.009 0.000 0.938 1023 H CB 0.796 30.539 29.762 -0.032 0.000 1.891 1023 H HN 0.237 nan 8.280 nan 0.000 0.595 1024 T N 1.064 115.647 114.554 0.048 0.000 2.635 1024 T HA -0.181 4.168 4.350 -0.003 0.000 0.267 1024 T C 1.886 176.598 174.700 0.021 0.000 1.040 1024 T CA 1.573 63.680 62.100 0.012 0.000 1.156 1024 T CB 0.054 68.912 68.868 -0.017 0.000 0.863 1024 T HN 0.427 nan 8.240 nan 0.000 0.430 1025 N N 1.295 120.005 118.700 0.017 0.000 2.149 1025 N HA -0.023 4.715 4.740 -0.003 0.000 0.188 1025 N C 1.778 177.310 175.510 0.038 0.000 1.019 1025 N CA 0.516 53.580 53.050 0.023 0.000 0.857 1025 N CB -0.707 37.788 38.487 0.012 0.000 0.997 1025 N HN 0.239 nan 8.380 nan 0.000 0.426 1026 L N 0.124 121.378 121.223 0.051 0.000 2.017 1026 L HA -0.103 4.235 4.340 -0.003 0.000 0.208 1026 L C 1.561 178.469 176.870 0.063 0.000 1.073 1026 L CA 1.402 56.277 54.840 0.059 0.000 0.745 1026 L CB -0.406 41.713 42.059 0.100 0.000 0.894 1026 L HN 0.102 nan 8.230 nan 0.000 0.432 1027 L N 0.003 121.261 121.223 0.057 0.000 2.131 1027 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 1027 L C 2.468 179.398 176.870 0.099 0.000 1.092 1027 L CA 1.565 56.438 54.840 0.055 0.000 0.759 1027 L CB -0.832 41.236 42.059 0.016 0.000 0.903 1027 L HN 0.234 nan 8.230 nan 0.000 0.435 1028 I N -0.655 119.962 120.570 0.078 0.000 2.286 1028 I HA -0.256 3.913 4.170 -0.003 0.000 0.245 1028 I C 2.182 178.374 176.117 0.125 0.000 1.104 1028 I CA 0.783 62.145 61.300 0.104 0.000 1.397 1028 I CB -0.035 38.000 38.000 0.058 0.000 1.072 1028 I HN 0.219 nan 8.210 nan 0.000 0.417 1029 I N -0.801 119.820 120.570 0.086 0.000 2.439 1029 I HA -0.185 3.983 4.170 -0.003 0.000 0.251 1029 I C 2.186 178.350 176.117 0.078 0.000 1.139 1029 I CA 1.496 62.839 61.300 0.072 0.000 1.438 1029 I CB -1.158 36.872 38.000 0.050 0.000 1.085 1029 I HN 0.070 nan 8.210 nan 0.000 0.427 1030 L N -0.458 120.819 121.223 0.090 0.000 2.017 1030 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 1030 L C 2.592 179.500 176.870 0.063 0.000 1.073 1030 L CA 1.719 56.605 54.840 0.077 0.000 0.745 1030 L CB -0.662 41.445 42.059 0.081 0.000 0.894 1030 L HN 0.254 nan 8.230 nan 0.000 0.432 1031 F N 0.918 120.863 119.950 -0.008 0.000 2.171 1031 F HA -0.246 4.279 4.527 -0.003 0.000 0.300 1031 F C 2.737 178.532 175.800 -0.009 0.000 1.090 1031 F CA 1.698 59.691 58.000 -0.012 0.000 1.293 1031 F CB -0.132 38.873 39.000 0.008 0.000 1.013 1031 F HN 0.102 nan 8.300 nan 0.000 0.486 1032 S N -0.338 115.394 115.700 0.053 0.000 2.395 1032 S HA -0.153 4.315 4.470 -0.003 0.000 0.225 1032 S C 2.031 176.591 174.600 -0.066 0.000 1.027 1032 S CA 1.052 59.237 58.200 -0.025 0.000 0.965 1032 S CB -0.589 62.636 63.200 0.041 0.000 0.812 1032 S HN 0.418 nan 8.310 nan 0.000 0.482 1033 M N 1.098 120.690 119.600 -0.014 0.000 2.132 1033 M HA -0.002 4.476 4.480 -0.003 0.000 0.263 1033 M C 2.479 178.764 176.300 -0.024 0.000 1.065 1033 M CA 1.684 57.021 55.300 0.062 0.000 1.122 1033 M CB -0.479 32.194 32.600 0.122 0.000 1.365 1033 M HN 0.433 nan 8.290 nan 0.000 0.411 1034 M N 0.790 120.310 119.600 -0.133 0.000 2.082 1034 M HA -0.252 4.227 4.480 -0.003 0.000 0.258 1034 M C 1.842 177.995 176.300 -0.245 0.000 1.069 1034 M CA 1.875 57.046 55.300 -0.215 0.000 1.102 1034 M CB -0.205 32.216 32.600 -0.299 0.000 1.336 1034 M HN 0.239 nan 8.290 nan 0.000 0.404 1035 L N -0.267 120.767 121.223 -0.316 0.000 2.046 1035 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 1035 L C 2.615 179.403 176.870 -0.137 0.000 1.077 1035 L CA 1.365 56.045 54.840 -0.266 0.000 0.747 1035 L CB -0.758 41.123 42.059 -0.297 0.000 0.896 1035 L HN 0.484 nan 8.230 nan 0.000 0.432 1036 M N -0.621 118.934 119.600 -0.075 0.000 2.319 1036 M HA -0.094 4.384 4.480 -0.003 0.000 0.265 1036 M C 2.029 178.334 176.300 0.008 0.000 1.068 1036 M CA 1.901 57.207 55.300 0.011 0.000 1.118 1036 M CB -0.406 32.258 32.600 0.107 0.000 1.395 1036 M HN 0.428 nan 8.290 nan 0.000 0.435 1037 T N -4.631 109.895 114.554 -0.046 0.000 3.023 1037 T HA 0.260 4.608 4.350 -0.003 0.000 0.253 1037 T C 1.361 175.974 174.700 -0.145 0.000 1.038 1037 T CA 0.550 62.573 62.100 -0.128 0.000 0.962 1037 T CB 0.343 69.089 68.868 -0.203 0.000 1.018 1037 T HN 0.383 nan 8.240 nan 0.000 0.521 1038 G N 0.748 109.462 108.800 -0.142 0.000 3.146 1038 G HA2 0.400 4.358 3.960 -0.003 0.000 0.238 1038 G HA3 0.400 4.358 3.960 -0.003 0.000 0.238 1038 G C 0.284 175.106 174.900 -0.130 0.000 1.022 1038 G CA -0.388 44.624 45.100 -0.146 0.000 0.880 1038 G HN 0.291 nan 8.290 nan 0.000 0.533 1039 M N 0.655 120.182 119.600 -0.122 0.000 2.644 1039 M HA 0.447 4.925 4.480 -0.003 0.000 0.316 1039 M C -2.499 173.780 176.300 -0.035 0.000 1.200 1039 M CA -1.919 53.327 55.300 -0.090 0.000 0.944 1039 M CB 1.138 33.669 32.600 -0.115 0.000 1.691 1039 M HN -0.235 nan 8.290 nan 0.000 0.471 1040 P HA 0.036 nan 4.420 nan 0.000 0.291 1040 P C -0.389 176.938 177.300 0.045 0.000 1.287 1040 P CA -0.386 62.731 63.100 0.029 0.000 0.767 1040 P CB 0.240 31.973 31.700 0.055 0.000 1.290 1041 Q N 0.617 120.460 119.800 0.071 0.000 2.317 1041 Q HA -0.008 4.330 4.340 -0.003 0.000 0.286 1041 Q C 0.065 176.141 176.000 0.128 0.000 1.198 1041 Q CA 0.599 56.481 55.803 0.132 0.000 0.973 1041 Q CB -0.812 28.014 28.738 0.145 0.000 1.207 1041 Q HN 0.344 nan 8.270 nan 0.000 0.416 1042 L N 1.014 122.281 121.223 0.073 0.000 2.454 1042 L HA 0.488 4.826 4.340 -0.003 0.000 0.256 1042 L C -0.052 176.716 176.870 -0.170 0.000 1.136 1042 L CA -0.702 54.122 54.840 -0.026 0.000 0.804 1042 L CB 0.959 42.975 42.059 -0.071 0.000 1.181 1042 L HN 0.191 nan 8.230 nan 0.000 0.469 1043 T N 1.000 115.466 114.554 -0.146 0.000 3.364 1043 T HA 0.228 4.576 4.350 -0.003 0.000 0.323 1043 T C 0.316 174.854 174.700 -0.270 0.000 1.323 1043 T CA -0.389 61.586 62.100 -0.208 0.000 1.073 1043 T CB -0.426 68.406 68.868 -0.059 0.000 1.150 1043 T HN 0.657 nan 8.240 nan 0.000 0.727 1044 S N 3.080 118.461 115.700 -0.532 0.000 2.561 1044 S HA 0.015 4.483 4.470 -0.003 0.000 0.294 1044 S C 1.284 175.766 174.600 -0.197 0.000 1.294 1044 S CA -0.341 57.630 58.200 -0.382 0.000 1.055 1044 S CB 0.221 63.098 63.200 -0.538 0.000 0.819 1044 S HN 0.811 nan 8.310 nan 0.000 0.503 1045 K N 0.078 120.420 120.400 -0.096 0.000 3.557 1045 K HA -0.297 4.021 4.320 -0.003 0.000 0.292 1045 K C 1.098 177.696 176.600 -0.004 0.000 1.167 1045 K CA 2.005 58.272 56.287 -0.033 0.000 1.048 1045 K CB -0.793 31.683 32.500 -0.041 0.000 1.368 1045 K HN 0.676 nan 8.250 nan 0.000 0.425 1046 E N 0.490 120.676 120.200 -0.023 0.000 2.079 1046 E HA -0.054 4.294 4.350 -0.003 0.000 0.191 1046 E C 1.299 177.936 176.600 0.062 0.000 0.961 1046 E CA 0.706 57.114 56.400 0.013 0.000 0.823 1046 E CB -0.015 29.680 29.700 -0.009 0.000 0.789 1046 E HN 0.276 nan 8.360 nan 0.000 0.459 1047 D N 0.965 121.396 120.400 0.052 0.000 2.224 1047 D HA -0.034 4.604 4.640 -0.003 0.000 0.205 1047 D C 1.897 178.340 176.300 0.239 0.000 0.965 1047 D CA 0.621 54.695 54.000 0.123 0.000 0.852 1047 D CB 0.128 40.971 40.800 0.072 0.000 0.947 1047 D HN 0.182 nan 8.370 nan 0.000 0.494 1048 I N 0.455 121.133 120.570 0.181 0.000 3.251 1048 I HA -0.037 4.131 4.170 -0.003 0.000 0.277 1048 I C 2.008 178.240 176.117 0.193 0.000 1.268 1048 I CA 0.310 61.772 61.300 0.270 0.000 1.449 1048 I CB 0.001 38.089 38.000 0.147 0.000 1.083 1048 I HN -0.136 nan 8.210 nan 0.000 0.464 1049 E N 0.604 120.881 120.200 0.128 0.000 2.502 1049 E HA -0.180 4.168 4.350 -0.003 0.000 0.194 1049 E C 1.775 178.393 176.600 0.030 0.000 1.062 1049 E CA 0.280 56.716 56.400 0.061 0.000 0.867 1049 E CB 0.222 29.948 29.700 0.042 0.000 0.888 1049 E HN 0.564 nan 8.360 nan 0.000 0.510 1050 Y N 0.627 120.912 120.300 -0.024 0.000 2.153 1050 Y HA -0.136 4.412 4.550 -0.003 0.000 0.289 1050 Y C 2.044 177.820 175.900 -0.207 0.000 1.127 1050 Y CA 1.534 59.580 58.100 -0.090 0.000 1.131 1050 Y CB -0.236 38.184 38.460 -0.066 0.000 0.995 1050 Y HN 0.039 nan 8.280 nan 0.000 0.505 1051 I N 0.488 120.894 120.570 -0.274 0.000 2.423 1051 I HA -0.311 3.857 4.170 -0.003 0.000 0.254 1051 I C 2.654 178.591 176.117 -0.300 0.000 1.151 1051 I CA 1.609 62.654 61.300 -0.425 0.000 1.421 1051 I CB -0.294 37.325 38.000 -0.636 0.000 1.079 1051 I HN 0.279 nan 8.210 nan 0.000 0.431 1052 R N 0.743 121.119 120.500 -0.208 0.000 2.073 1052 R HA -0.214 4.125 4.340 -0.003 0.000 0.234 1052 R C 1.870 178.056 176.300 -0.189 0.000 1.134 1052 R CA 2.308 58.321 56.100 -0.145 0.000 0.952 1052 R CB -0.365 29.884 30.300 -0.084 0.000 0.850 1052 R HN 0.360 nan 8.270 nan 0.000 0.433 1053 D N 0.212 120.452 120.400 -0.266 0.000 2.149 1053 D HA -0.083 4.555 4.640 -0.003 0.000 0.201 1053 D C 1.788 177.910 176.300 -0.298 0.000 0.972 1053 D CA 1.462 55.301 54.000 -0.270 0.000 0.835 1053 D CB -0.237 40.408 40.800 -0.259 0.000 0.966 1053 D HN 0.446 nan 8.370 nan 0.000 0.476 1054 A N 0.695 123.237 122.820 -0.462 0.000 1.933 1054 A HA -0.097 4.221 4.320 -0.003 0.000 0.218 1054 A C 2.259 179.914 177.584 0.118 0.000 1.175 1054 A CA 0.839 52.691 52.037 -0.309 0.000 0.628 1054 A CB -0.639 17.978 19.000 -0.638 0.000 0.814 1054 A HN 0.205 nan 8.150 nan 0.000 0.444 1055 L N -1.306 119.916 121.223 -0.000 0.000 2.554 1055 L HA 0.023 4.361 4.340 -0.003 0.000 0.226 1055 L C 1.209 178.078 176.870 -0.003 0.000 1.137 1055 L CA 0.683 55.560 54.840 0.061 0.000 0.863 1055 L CB -0.125 41.911 42.059 -0.038 0.000 0.985 1055 L HN 0.418 nan 8.230 nan 0.000 0.451 1056 T N 0.159 114.670 114.554 -0.072 0.000 3.886 1056 T HA -0.145 4.203 4.350 -0.003 0.000 0.371 1056 T C 0.252 174.883 174.700 -0.115 0.000 0.760 1056 T CA -0.069 61.930 62.100 -0.168 0.000 1.966 1056 T CB -1.219 67.528 68.868 -0.203 0.000 1.793 1056 T HN 0.049 nan 8.240 nan 0.000 0.798 1057 V N 1.162 121.018 119.914 -0.098 0.000 2.901 1057 V HA 0.441 4.560 4.120 -0.003 0.000 0.307 1057 V C 2.211 178.269 176.094 -0.060 0.000 1.084 1057 V CA 0.891 63.149 62.300 -0.070 0.000 1.184 1057 V CB 0.567 32.355 31.823 -0.057 0.000 0.941 1057 V HN 1.285 nan 8.190 nan 0.000 0.493 1058 G N 2.628 111.402 108.800 -0.043 0.000 4.526 1058 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.217 1058 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.217 1058 G C 0.567 175.451 174.900 -0.028 0.000 1.428 1058 G CA 0.488 45.570 45.100 -0.031 0.000 0.928 1058 G HN 0.883 nan 8.290 nan 0.000 0.639 1059 K N 2.165 122.544 120.400 -0.035 0.000 2.606 1059 K HA 0.258 4.576 4.320 -0.003 0.000 0.279 1059 K C 1.213 177.805 176.600 -0.013 0.000 0.961 1059 K CA 0.777 57.051 56.287 -0.022 0.000 1.002 1059 K CB 0.055 32.534 32.500 -0.035 0.000 0.871 1059 K HN 0.886 nan 8.250 nan 0.000 0.508 1060 S N 1.518 117.220 115.700 0.003 0.000 2.632 1060 S HA 0.055 4.523 4.470 -0.003 0.000 0.271 1060 S C 1.104 175.712 174.600 0.015 0.000 1.260 1060 S CA 0.001 58.205 58.200 0.007 0.000 1.010 1060 S CB 1.408 64.616 63.200 0.013 0.000 0.965 1060 S HN 0.718 nan 8.310 nan 0.000 0.534 1061 E N 1.647 121.854 120.200 0.012 0.000 2.048 1061 E HA -0.315 4.033 4.350 -0.003 0.000 0.202 1061 E C 1.634 178.259 176.600 0.041 0.000 1.021 1061 E CA 1.688 58.096 56.400 0.012 0.000 0.825 1061 E CB -0.640 29.073 29.700 0.022 0.000 0.756 1061 E HN 0.830 nan 8.360 nan 0.000 0.454 1062 E N 1.630 121.856 120.200 0.043 0.000 2.097 1062 E HA -0.252 4.096 4.350 -0.003 0.000 0.196 1062 E C 1.733 178.381 176.600 0.081 0.000 1.000 1062 E CA 1.678 58.112 56.400 0.056 0.000 0.804 1062 E CB -0.579 29.146 29.700 0.043 0.000 0.740 1062 E HN 0.443 nan 8.360 nan 0.000 0.454 1063 D N 1.418 121.864 120.400 0.077 0.000 2.178 1063 D HA -0.044 4.594 4.640 -0.003 0.000 0.202 1063 D C 1.952 178.351 176.300 0.164 0.000 0.974 1063 D CA 1.552 55.612 54.000 0.101 0.000 0.841 1063 D CB -0.220 40.624 40.800 0.073 0.000 0.953 1063 D HN 0.299 nan 8.370 nan 0.000 0.478 1064 A N 1.530 124.444 122.820 0.157 0.000 1.873 1064 A HA -0.203 4.116 4.320 -0.003 0.000 0.215 1064 A C 2.113 179.942 177.584 0.409 0.000 1.186 1064 A CA 1.767 53.967 52.037 0.272 0.000 0.616 1064 A CB -0.535 18.535 19.000 0.117 0.000 0.823 1064 A HN 0.178 nan 8.150 nan 0.000 0.442 1065 K N -0.066 120.488 120.400 0.257 0.000 2.089 1065 K HA -0.250 4.068 4.320 -0.003 0.000 0.210 1065 K C 1.916 178.658 176.600 0.237 0.000 1.048 1065 K CA 2.089 58.520 56.287 0.240 0.000 0.926 1065 K CB -0.190 32.386 32.500 0.125 0.000 0.714 1065 K HN 0.399 nan 8.250 nan 0.000 0.448 1066 K N -0.721 119.798 120.400 0.197 0.000 2.155 1066 K HA -0.138 4.180 4.320 -0.003 0.000 0.203 1066 K C 1.963 178.659 176.600 0.160 0.000 1.052 1066 K CA 1.216 57.592 56.287 0.148 0.000 0.948 1066 K CB -0.225 32.345 32.500 0.117 0.000 0.728 1066 K HN 0.249 nan 8.250 nan 0.000 0.448 1067 Y N -0.212 120.156 120.300 0.112 0.000 2.242 1067 Y HA -0.216 4.332 4.550 -0.003 0.000 0.291 1067 Y C 1.817 177.704 175.900 -0.022 0.000 1.137 1067 Y CA 1.372 59.519 58.100 0.078 0.000 1.181 1067 Y CB -0.096 38.459 38.460 0.159 0.000 0.989 1067 Y HN 0.029 nan 8.280 nan 0.000 0.527 1068 F N -0.193 119.751 119.950 -0.011 0.000 2.259 1068 F HA -0.101 4.425 4.527 -0.003 0.000 0.298 1068 F C 1.853 177.504 175.800 -0.249 0.000 1.088 1068 F CA 1.134 58.932 58.000 -0.338 0.000 1.358 1068 F CB -0.317 38.397 39.000 -0.477 0.000 1.040 1068 F HN 0.015 nan 8.300 nan 0.000 0.505 1069 L N -0.193 121.011 121.223 -0.031 0.000 2.083 1069 L HA -0.230 4.108 4.340 -0.003 0.000 0.209 1069 L C 1.978 178.762 176.870 -0.142 0.000 1.083 1069 L CA 1.349 56.163 54.840 -0.043 0.000 0.752 1069 L CB -0.653 41.430 42.059 0.040 0.000 0.899 1069 L HN 0.038 nan 8.230 nan 0.000 0.433 1070 D N -0.804 119.478 120.400 -0.198 0.000 2.144 1070 D HA -0.161 4.477 4.640 -0.003 0.000 0.200 1070 D C 2.360 178.448 176.300 -0.352 0.000 0.978 1070 D CA 0.789 54.653 54.000 -0.227 0.000 0.833 1070 D CB -0.047 40.617 40.800 -0.227 0.000 0.961 1070 D HN 0.253 nan 8.370 nan 0.000 0.470 1071 Q N 0.257 119.711 119.800 -0.577 0.000 2.084 1071 Q HA -0.057 4.281 4.340 -0.003 0.000 0.202 1071 Q C 2.545 178.152 176.000 -0.656 0.000 0.978 1071 Q CA 0.578 55.931 55.803 -0.750 0.000 0.844 1071 Q CB -0.260 27.775 28.738 -1.171 0.000 0.898 1071 Q HN 0.427 nan 8.270 nan 0.000 0.426 1072 I N 0.815 121.123 120.570 -0.437 0.000 2.454 1072 I HA -0.239 3.929 4.170 -0.003 0.000 0.254 1072 I C 2.243 178.343 176.117 -0.029 0.000 1.156 1072 I CA 0.888 62.154 61.300 -0.057 0.000 1.433 1072 I CB -0.075 37.980 38.000 0.091 0.000 1.082 1072 I HN 0.139 nan 8.210 nan 0.000 0.432 1073 E N 0.847 120.986 120.200 -0.101 0.000 2.076 1073 E HA -0.106 4.242 4.350 -0.003 0.000 0.190 1073 E C 2.156 178.694 176.600 -0.103 0.000 0.979 1073 E CA 0.982 57.352 56.400 -0.051 0.000 0.807 1073 E CB -0.161 29.508 29.700 -0.053 0.000 0.761 1073 E HN 0.216 nan 8.360 nan 0.000 0.454 1074 V N 0.163 119.966 119.914 -0.185 0.000 2.469 1074 V HA -0.349 3.769 4.120 -0.003 0.000 0.251 1074 V C 2.453 178.449 176.094 -0.164 0.000 1.064 1074 V CA 1.745 63.940 62.300 -0.175 0.000 1.066 1074 V CB -0.699 30.990 31.823 -0.223 0.000 0.667 1074 V HN 0.403 nan 8.190 nan 0.000 0.461 1075 C N -0.499 118.678 119.300 -0.206 0.000 2.453 1075 C HA -0.075 4.383 4.460 -0.003 0.000 0.277 1075 C C 2.885 177.822 174.990 -0.088 0.000 1.262 1075 C CA 0.338 59.261 59.018 -0.158 0.000 1.718 1075 C CB -1.094 26.559 27.740 -0.144 0.000 2.031 1075 C HN 0.475 nan 8.230 nan 0.000 0.480 1076 R N 1.311 121.785 120.500 -0.043 0.000 2.119 1076 R HA -0.147 4.191 4.340 -0.003 0.000 0.246 1076 R C 1.503 177.770 176.300 -0.055 0.000 1.146 1076 R CA 1.578 57.657 56.100 -0.034 0.000 0.962 1076 R CB -1.006 29.290 30.300 -0.007 0.000 0.863 1076 R HN 0.644 nan 8.270 nan 0.000 0.442 1077 D N 0.015 120.383 120.400 -0.053 0.000 2.277 1077 D HA -0.067 4.571 4.640 -0.003 0.000 0.208 1077 D C 1.680 177.959 176.300 -0.036 0.000 0.962 1077 D CA 0.703 54.678 54.000 -0.042 0.000 0.865 1077 D CB 0.168 40.944 40.800 -0.040 0.000 0.939 1077 D HN 0.059 nan 8.370 nan 0.000 0.510 1078 K N 0.392 120.764 120.400 -0.048 0.000 2.167 1078 K HA 0.075 4.393 4.320 -0.003 0.000 0.203 1078 K C 1.327 177.914 176.600 -0.022 0.000 1.052 1078 K CA 0.693 56.964 56.287 -0.027 0.000 0.956 1078 K CB -0.162 32.318 32.500 -0.034 0.000 0.735 1078 K HN 0.141 nan 8.250 nan 0.000 0.451 1079 G N 0.275 109.020 108.800 -0.092 0.000 2.651 1079 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.315 1079 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.315 1079 G C 0.638 175.415 174.900 -0.205 0.000 1.258 1079 G CA 0.666 45.651 45.100 -0.193 0.000 1.002 1079 G HN 0.465 nan 8.290 nan 0.000 0.551 1080 W N 1.070 122.439 121.300 0.115 0.000 3.047 1080 W HA 0.287 4.945 4.660 -0.003 0.000 0.250 1080 W C 2.861 179.535 176.519 0.258 0.000 1.314 1080 W CA 0.734 58.210 57.345 0.219 0.000 1.540 1080 W CB -0.296 29.324 29.460 0.266 0.000 1.127 1080 W HN 0.519 nan 8.180 nan 0.000 0.679 1081 T N 0.952 115.704 114.554 0.330 0.000 2.620 1081 T HA -0.282 4.066 4.350 -0.003 0.000 0.267 1081 T C 1.831 176.723 174.700 0.320 0.000 1.044 1081 T CA 2.163 64.425 62.100 0.270 0.000 1.161 1081 T CB -0.765 68.189 68.868 0.142 0.000 0.862 1081 T HN -0.045 nan 8.240 nan 0.000 0.438 1082 V N 1.365 121.443 119.914 0.274 0.000 2.261 1082 V HA -0.169 3.949 4.120 -0.003 0.000 0.246 1082 V C 2.806 179.192 176.094 0.486 0.000 1.047 1082 V CA 1.520 63.999 62.300 0.298 0.000 1.015 1082 V CB -0.665 31.312 31.823 0.257 0.000 0.642 1082 V HN 0.392 nan 8.190 nan 0.000 0.446 1083 Q N -0.684 119.447 119.800 0.552 0.000 2.061 1083 Q HA -0.221 4.117 4.340 -0.003 0.000 0.204 1083 Q C 2.156 178.678 176.000 0.870 0.000 0.984 1083 Q CA 2.020 58.250 55.803 0.711 0.000 0.846 1083 Q CB -0.664 28.475 28.738 0.668 0.000 0.902 1083 Q HN 0.673 nan 8.270 nan 0.000 0.421 1084 F N 2.000 122.359 119.950 0.681 0.000 2.250 1084 F HA -0.169 4.356 4.527 -0.003 0.000 0.301 1084 F C 1.746 177.731 175.800 0.309 0.000 1.077 1084 F CA 1.042 59.286 58.000 0.406 0.000 1.348 1084 F CB -0.027 39.055 39.000 0.137 0.000 1.040 1084 F HN 0.090 nan 8.300 nan 0.000 0.509 1085 N N -0.721 118.163 118.700 0.306 0.000 2.250 1085 N HA -0.165 4.573 4.740 -0.003 0.000 0.181 1085 N C 1.737 177.291 175.510 0.074 0.000 1.017 1085 N CA 1.271 54.377 53.050 0.094 0.000 0.866 1085 N CB -0.632 37.896 38.487 0.068 0.000 0.985 1085 N HN 0.422 nan 8.380 nan 0.000 0.429 1086 W N 0.674 122.081 121.300 0.177 0.000 2.358 1086 W HA -0.124 4.534 4.660 -0.003 0.000 0.303 1086 W C 2.133 178.652 176.519 0.001 0.000 1.208 1086 W CA 0.269 57.684 57.345 0.117 0.000 1.274 1086 W CB -0.442 29.142 29.460 0.205 0.000 1.138 1086 W HN -0.023 nan 8.180 nan 0.000 0.515 1087 F N 0.651 120.707 119.950 0.176 0.000 2.095 1087 F HA -0.214 4.311 4.527 -0.003 0.000 0.298 1087 F C 1.969 177.693 175.800 -0.128 0.000 1.104 1087 F CA 1.606 59.622 58.000 0.027 0.000 1.232 1087 F CB -1.130 37.948 39.000 0.129 0.000 0.987 1087 F HN -0.211 nan 8.300 nan 0.000 0.475 1088 L N -0.667 120.511 121.223 -0.075 0.000 2.012 1088 L HA -0.313 4.025 4.340 -0.003 0.000 0.210 1088 L C 2.707 179.598 176.870 0.035 0.000 1.073 1088 L CA 2.022 56.747 54.840 -0.192 0.000 0.748 1088 L CB -1.147 40.742 42.059 -0.282 0.000 0.891 1088 L HN 0.279 nan 8.230 nan 0.000 0.431 1089 H N 0.353 119.395 119.070 -0.047 0.000 2.352 1089 H HA -0.168 4.386 4.556 -0.003 0.000 0.299 1089 H C 2.194 177.539 175.328 0.029 0.000 1.097 1089 H CA 1.301 57.326 56.048 -0.037 0.000 1.311 1089 H CB 0.151 29.855 29.762 -0.097 0.000 1.377 1089 H HN 0.278 nan 8.280 nan 0.000 0.504 1090 L N 0.347 121.619 121.223 0.082 0.000 2.465 1090 L HA -0.064 4.274 4.340 -0.003 0.000 0.224 1090 L C 2.156 179.081 176.870 0.092 0.000 1.145 1090 L CA 0.057 54.897 54.840 0.000 0.000 0.834 1090 L CB 0.102 42.131 42.059 -0.050 0.000 0.944 1090 L HN 0.201 nan 8.230 nan 0.000 0.451 1091 V N -0.320 119.673 119.914 0.131 0.000 2.500 1091 V HA -0.012 4.106 4.120 -0.003 0.000 0.243 1091 V C 1.531 177.662 176.094 0.062 0.000 1.039 1091 V CA 0.489 62.848 62.300 0.099 0.000 1.053 1091 V CB -0.030 31.803 31.823 0.017 0.000 0.695 1091 V HN 0.162 nan 8.190 nan 0.000 0.463 1092 L N 0.000 121.260 121.223 0.062 0.000 2.949 1092 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 1092 L CA 0.000 54.874 54.840 0.057 0.000 0.813 1092 L CB 0.000 42.092 42.059 0.055 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502