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 2chz_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIAXXXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGXFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.614 174.600 0.023 0.000 1.055 144 S CA 0.000 58.211 58.200 0.018 0.000 1.107 144 S CB 0.000 63.211 63.200 0.019 0.000 0.593 145 E N 0.561 120.773 120.200 0.020 0.000 2.244 145 E HA 0.202 4.563 4.350 0.017 0.000 0.196 145 E C 0.890 177.509 176.600 0.032 0.000 0.939 145 E CA 0.384 56.797 56.400 0.023 0.000 0.884 145 E CB 0.093 29.802 29.700 0.015 0.000 0.850 145 E HN 0.635 nan 8.360 nan 0.000 0.481 146 E N 0.588 120.803 120.200 0.025 0.000 2.511 146 E HA -0.032 4.328 4.350 0.017 0.000 0.196 146 E C 1.648 178.283 176.600 0.058 0.000 1.066 146 E CA 0.398 56.814 56.400 0.027 0.000 0.871 146 E CB 0.183 29.880 29.700 -0.006 0.000 0.863 146 E HN 0.183 nan 8.360 nan 0.000 0.520 147 S N -1.015 114.732 115.700 0.077 0.000 2.486 147 S HA 0.029 4.509 4.470 0.017 0.000 0.220 147 S C 1.774 176.472 174.600 0.164 0.000 1.011 147 S CA 0.013 58.303 58.200 0.150 0.000 0.921 147 S CB 0.165 63.430 63.200 0.109 0.000 0.785 147 S HN 0.112 nan 8.310 nan 0.000 0.517 148 Q N 1.077 120.935 119.800 0.097 0.000 2.163 148 Q HA 0.280 4.630 4.340 0.017 0.000 0.198 148 Q C 2.519 178.560 176.000 0.067 0.000 0.954 148 Q CA 1.050 56.892 55.803 0.064 0.000 0.851 148 Q CB -0.422 28.338 28.738 0.037 0.000 0.928 148 Q HN 0.711 nan 8.270 nan 0.000 0.459 149 A N 0.750 123.621 122.820 0.086 0.000 1.883 149 A HA -0.218 4.112 4.320 0.017 0.000 0.217 149 A C 1.857 179.524 177.584 0.139 0.000 1.186 149 A CA 1.248 53.339 52.037 0.089 0.000 0.624 149 A CB -0.845 18.205 19.000 0.083 0.000 0.822 149 A HN 0.461 nan 8.150 nan 0.000 0.444 150 F N 0.750 120.701 119.950 0.001 0.000 2.161 150 F HA -0.221 4.317 4.527 0.017 0.000 0.300 150 F C 2.332 178.133 175.800 0.002 0.000 1.089 150 F CA 2.205 60.206 58.000 0.002 0.000 1.282 150 F CB -0.584 38.415 39.000 -0.001 0.000 1.010 150 F HN 0.354 nan 8.300 nan 0.000 0.485 151 Q N 0.525 120.281 119.800 -0.073 0.000 2.079 151 Q HA -0.140 4.210 4.340 0.017 0.000 0.200 151 Q C 2.346 178.270 176.000 -0.127 0.000 0.974 151 Q CA 1.822 57.521 55.803 -0.174 0.000 0.840 151 Q CB -0.310 28.383 28.738 -0.075 0.000 0.898 151 Q HN 0.378 nan 8.270 nan 0.000 0.430 152 R N -0.488 119.982 120.500 -0.051 0.000 2.189 152 R HA -0.080 4.270 4.340 0.017 0.000 0.223 152 R C 2.293 178.575 176.300 -0.030 0.000 1.092 152 R CA 1.206 57.285 56.100 -0.035 0.000 0.989 152 R CB -0.075 30.220 30.300 -0.008 0.000 0.876 152 R HN 0.432 nan 8.270 nan 0.000 0.457 153 Q N 0.670 120.458 119.800 -0.021 0.000 2.016 153 Q HA -0.131 4.219 4.340 0.017 0.000 0.200 153 Q C 1.978 177.945 176.000 -0.054 0.000 0.978 153 Q CA 1.320 57.122 55.803 -0.001 0.000 0.833 153 Q CB 0.015 28.800 28.738 0.078 0.000 0.895 153 Q HN 0.324 nan 8.270 nan 0.000 0.427 154 L N 0.099 121.225 121.223 -0.162 0.000 2.079 154 L HA -0.204 4.146 4.340 0.017 0.000 0.210 154 L C 2.464 179.274 176.870 -0.100 0.000 1.081 154 L CA 1.410 56.144 54.840 -0.178 0.000 0.752 154 L CB -0.579 41.275 42.059 -0.341 0.000 0.896 154 L HN 0.316 nan 8.230 nan 0.000 0.433 155 T N -0.093 114.407 114.554 -0.090 0.000 2.652 155 T HA -0.209 4.151 4.350 0.017 0.000 0.267 155 T C 2.006 176.683 174.700 -0.038 0.000 1.039 155 T CA 1.485 63.548 62.100 -0.062 0.000 1.153 155 T CB -0.291 68.535 68.868 -0.070 0.000 0.863 155 T HN 0.467 nan 8.240 nan 0.000 0.428 156 A N 0.856 123.660 122.820 -0.027 0.000 1.969 156 A HA 0.091 4.421 4.320 0.017 0.000 0.218 156 A C 2.326 179.913 177.584 0.005 0.000 1.169 156 A CA 0.970 53.003 52.037 -0.007 0.000 0.635 156 A CB -0.764 18.238 19.000 0.003 0.000 0.810 156 A HN 0.459 nan 8.150 nan 0.000 0.445 157 L N -0.782 120.446 121.223 0.009 0.000 2.056 157 L HA -0.150 4.201 4.340 0.017 0.000 0.207 157 L C 2.443 179.292 176.870 -0.036 0.000 1.078 157 L CA 1.275 56.141 54.840 0.043 0.000 0.749 157 L CB -0.383 41.725 42.059 0.080 0.000 0.901 157 L HN 0.393 nan 8.230 nan 0.000 0.433 158 I N -0.802 119.727 120.570 -0.067 0.000 2.286 158 I HA -0.115 4.065 4.170 0.017 0.000 0.245 158 I C 1.667 177.730 176.117 -0.091 0.000 1.104 158 I CA 1.117 62.343 61.300 -0.122 0.000 1.397 158 I CB -0.382 37.587 38.000 -0.051 0.000 1.072 158 I HN 0.463 nan 8.210 nan 0.000 0.417 159 G N -0.107 108.680 108.800 -0.022 0.000 2.141 159 G HA2 -0.313 3.658 3.960 0.017 0.000 0.242 159 G HA3 -0.313 3.658 3.960 0.017 0.000 0.242 159 G C -0.092 174.873 174.900 0.108 0.000 0.982 159 G CA 0.060 45.172 45.100 0.021 0.000 0.662 159 G HN 0.371 nan 8.290 nan 0.000 0.527 160 Y N -0.117 120.151 120.300 -0.054 0.000 2.581 160 Y HA 0.524 5.085 4.550 0.018 0.000 0.337 160 Y C -1.305 174.566 175.900 -0.048 0.000 1.108 160 Y CA -0.901 57.175 58.100 -0.041 0.000 1.033 160 Y CB 1.849 40.288 38.460 -0.035 0.000 1.318 160 Y HN 0.129 nan 8.280 nan 0.000 0.459 161 D N 3.363 123.410 120.400 -0.588 0.000 2.412 161 D HA 0.321 4.971 4.640 0.017 0.000 0.224 161 D C 0.510 176.658 176.300 -0.253 0.000 1.093 161 D CA -0.411 53.382 54.000 -0.346 0.000 0.850 161 D CB 1.233 41.840 40.800 -0.321 0.000 1.046 161 D HN 0.461 nan 8.370 nan 0.000 0.507 162 V N 1.428 121.338 119.914 -0.006 0.000 3.623 162 V HA 0.020 4.150 4.120 0.017 0.000 0.271 162 V C 1.513 177.613 176.094 0.010 0.000 1.248 162 V CA 1.253 63.601 62.300 0.081 0.000 1.156 162 V CB -0.684 31.186 31.823 0.079 0.000 0.870 162 V HN 0.642 nan 8.190 nan 0.000 0.453 163 T N -2.703 111.830 114.554 -0.035 0.000 3.023 163 T HA -0.023 4.337 4.350 0.017 0.000 0.266 163 T C 0.862 175.541 174.700 -0.035 0.000 1.093 163 T CA 0.511 62.592 62.100 -0.032 0.000 1.129 163 T CB -0.436 68.407 68.868 -0.041 0.000 0.899 163 T HN 0.574 nan 8.240 nan 0.000 0.491 164 D N 0.936 121.295 120.400 -0.067 0.000 2.449 164 D HA 0.065 4.715 4.640 0.017 0.000 0.236 164 D C 0.419 176.706 176.300 -0.022 0.000 1.149 164 D CA 0.246 54.202 54.000 -0.073 0.000 0.878 164 D CB 1.237 41.940 40.800 -0.162 0.000 1.198 164 D HN 0.056 nan 8.370 nan 0.000 0.446 165 V N 2.087 121.990 119.914 -0.018 0.000 3.382 165 V HA -0.100 4.030 4.120 0.017 0.000 0.296 165 V C 2.017 178.111 176.094 -0.000 0.000 1.529 165 V CA 0.508 62.809 62.300 0.001 0.000 1.048 165 V CB 0.403 32.230 31.823 0.008 0.000 0.878 165 V HN 0.651 nan 8.190 nan 0.000 0.442 166 S N 1.229 116.920 115.700 -0.015 0.000 2.370 166 S HA -0.200 4.280 4.470 0.017 0.000 0.226 166 S C 1.321 175.911 174.600 -0.017 0.000 1.033 166 S CA 2.152 60.339 58.200 -0.022 0.000 1.011 166 S CB -0.440 62.735 63.200 -0.041 0.000 0.852 166 S HN 0.554 nan 8.310 nan 0.000 0.457 167 N N 0.920 119.617 118.700 -0.005 0.000 2.920 167 N HA 0.444 5.194 4.740 0.017 0.000 0.310 167 N C -1.077 174.427 175.510 -0.010 0.000 1.384 167 N CA -0.260 52.785 53.050 -0.009 0.000 1.083 167 N CB 0.479 38.968 38.487 0.003 0.000 1.389 167 N HN 0.269 nan 8.380 nan 0.000 0.521 168 V N 0.416 120.328 119.914 -0.004 0.000 3.155 168 V HA 0.454 4.584 4.120 0.017 0.000 0.313 168 V C 0.105 176.222 176.094 0.039 0.000 1.162 168 V CA -0.642 61.634 62.300 -0.041 0.000 1.048 168 V CB 2.108 33.923 31.823 -0.013 0.000 1.092 168 V HN 0.654 nan 8.190 nan 0.000 0.447 169 H N 0.176 119.314 119.070 0.113 0.000 3.538 169 H HA 0.345 4.911 4.556 0.017 0.000 0.264 169 H C -0.878 174.559 175.328 0.182 0.000 1.146 169 H CA 0.007 56.147 56.048 0.153 0.000 1.097 169 H CB 0.800 30.699 29.762 0.228 0.000 2.087 169 H HN 0.707 nan 8.280 nan 0.000 0.797 170 D N 0.991 121.514 120.400 0.206 0.000 2.792 170 D HA -0.053 4.597 4.640 0.017 0.000 0.335 170 D C -0.659 175.723 176.300 0.136 0.000 1.353 170 D CA -0.158 53.980 54.000 0.231 0.000 0.839 170 D CB 0.598 41.602 40.800 0.341 0.000 1.396 170 D HN 0.120 nan 8.370 nan 0.000 0.479 171 D N -0.923 119.586 120.400 0.181 0.000 2.501 171 D HA 0.040 4.690 4.640 0.017 0.000 0.226 171 D C 0.743 177.070 176.300 0.046 0.000 1.198 171 D CA -0.233 53.851 54.000 0.139 0.000 0.830 171 D CB 0.356 41.274 40.800 0.196 0.000 1.014 171 D HN 0.545 nan 8.370 nan 0.000 0.496 172 E N 0.743 120.850 120.200 -0.155 0.000 2.085 172 E HA -0.150 4.210 4.350 0.017 0.000 0.194 172 E C 1.996 178.561 176.600 -0.058 0.000 0.994 172 E CA 0.788 56.910 56.400 -0.463 0.000 0.801 172 E CB 0.082 29.607 29.700 -0.292 0.000 0.743 172 E HN 0.349 nan 8.360 nan 0.000 0.453 173 L N 0.818 122.014 121.223 -0.045 0.000 2.012 173 L HA -0.212 4.138 4.340 0.017 0.000 0.210 173 L C 2.613 179.479 176.870 -0.006 0.000 1.073 173 L CA 1.149 55.928 54.840 -0.103 0.000 0.748 173 L CB -0.447 41.524 42.059 -0.148 0.000 0.891 173 L HN 0.091 nan 8.230 nan 0.000 0.431 174 E N -0.325 119.901 120.200 0.044 0.000 2.106 174 E HA -0.208 4.152 4.350 0.017 0.000 0.192 174 E C 2.061 178.727 176.600 0.110 0.000 0.984 174 E CA 1.124 57.565 56.400 0.069 0.000 0.806 174 E CB -0.303 29.448 29.700 0.084 0.000 0.750 174 E HN 0.356 nan 8.360 nan 0.000 0.458 175 F N 2.035 121.989 119.950 0.006 0.000 2.095 175 F HA -0.227 4.310 4.527 0.017 0.000 0.298 175 F C 2.360 178.175 175.800 0.024 0.000 1.104 175 F CA 1.849 59.874 58.000 0.041 0.000 1.232 175 F CB -0.321 38.725 39.000 0.076 0.000 0.987 175 F HN -0.042 nan 8.300 nan 0.000 0.475 176 T N 0.273 114.923 114.554 0.160 0.000 2.867 176 T HA -0.149 4.211 4.350 0.017 0.000 0.268 176 T C 2.000 176.706 174.700 0.011 0.000 1.057 176 T CA 1.328 63.478 62.100 0.083 0.000 1.136 176 T CB -0.253 68.677 68.868 0.103 0.000 0.874 176 T HN 0.256 nan 8.240 nan 0.000 0.466 177 R N 0.894 121.394 120.500 0.000 0.000 2.070 177 R HA 0.020 4.370 4.340 0.017 0.000 0.233 177 R C 2.771 179.050 176.300 -0.034 0.000 1.137 177 R CA 1.295 57.388 56.100 -0.012 0.000 0.945 177 R CB -0.218 30.078 30.300 -0.007 0.000 0.845 177 R HN 0.297 nan 8.270 nan 0.000 0.430 178 R N -0.233 120.226 120.500 -0.068 0.000 2.096 178 R HA -0.087 4.263 4.340 0.017 0.000 0.235 178 R C 2.397 178.611 176.300 -0.143 0.000 1.127 178 R CA 1.383 57.416 56.100 -0.111 0.000 0.968 178 R CB -0.490 29.712 30.300 -0.163 0.000 0.861 178 R HN 0.365 nan 8.270 nan 0.000 0.440 179 G N 0.492 109.179 108.800 -0.187 0.000 2.422 179 G HA2 -0.193 3.777 3.960 0.017 0.000 0.218 179 G HA3 -0.193 3.777 3.960 0.017 0.000 0.218 179 G C 1.291 176.159 174.900 -0.053 0.000 1.140 179 G CA 0.356 45.366 45.100 -0.151 0.000 0.775 179 G HN 0.171 nan 8.290 nan 0.000 0.545 180 L N 0.640 121.849 121.223 -0.025 0.000 2.554 180 L HA 0.055 4.405 4.340 0.017 0.000 0.226 180 L C 2.668 179.541 176.870 0.005 0.000 1.137 180 L CA -0.288 54.557 54.840 0.008 0.000 0.863 180 L CB 0.031 42.106 42.059 0.027 0.000 0.985 180 L HN 0.048 nan 8.230 nan 0.000 0.451 181 V N -0.310 119.597 119.914 -0.012 0.000 2.287 181 V HA -0.302 3.828 4.120 0.017 0.000 0.248 181 V C 2.517 178.607 176.094 -0.005 0.000 1.053 181 V CA 2.429 64.725 62.300 -0.008 0.000 1.027 181 V CB -0.758 31.055 31.823 -0.016 0.000 0.646 181 V HN 0.469 nan 8.190 nan 0.000 0.447 182 T N 0.945 115.493 114.554 -0.009 0.000 2.643 182 T HA -0.095 4.265 4.350 0.017 0.000 0.264 182 T C 0.055 174.759 174.700 0.006 0.000 1.045 182 T CA 2.085 64.182 62.100 -0.004 0.000 1.155 182 T CB -1.392 67.473 68.868 -0.005 0.000 0.863 182 T HN 0.493 nan 8.240 nan 0.000 0.420 183 P HA -0.080 nan 4.420 nan 0.000 0.220 183 P C 1.402 178.715 177.300 0.020 0.000 1.148 183 P CA 1.158 64.273 63.100 0.025 0.000 0.803 183 P CB -0.044 31.681 31.700 0.042 0.000 0.782 184 R N 0.195 120.706 120.500 0.017 0.000 2.070 184 R HA -0.032 4.318 4.340 0.017 0.000 0.233 184 R C 2.366 178.660 176.300 -0.009 0.000 1.137 184 R CA 1.841 57.948 56.100 0.011 0.000 0.945 184 R CB -0.677 29.630 30.300 0.012 0.000 0.845 184 R HN 0.063 nan 8.270 nan 0.000 0.430 185 M N 0.026 119.620 119.600 -0.011 0.000 2.319 185 M HA 0.003 4.494 4.480 0.017 0.000 0.265 185 M C 2.371 178.657 176.300 -0.023 0.000 1.068 185 M CA 1.285 56.572 55.300 -0.021 0.000 1.118 185 M CB -0.125 32.465 32.600 -0.016 0.000 1.395 185 M HN 0.359 nan 8.290 nan 0.000 0.435 186 A N 0.162 122.975 122.820 -0.012 0.000 1.930 186 A HA -0.165 4.165 4.320 0.017 0.000 0.217 186 A C 2.009 179.583 177.584 -0.017 0.000 1.175 186 A CA 1.854 53.886 52.037 -0.009 0.000 0.627 186 A CB -0.410 18.593 19.000 0.005 0.000 0.815 186 A HN 0.382 nan 8.150 nan 0.000 0.443 187 E N -0.570 119.618 120.200 -0.020 0.000 2.190 187 E HA 0.007 4.367 4.350 0.017 0.000 0.191 187 E C 1.799 178.352 176.600 -0.079 0.000 0.978 187 E CA 0.866 57.246 56.400 -0.034 0.000 0.839 187 E CB -0.169 29.520 29.700 -0.018 0.000 0.787 187 E HN 0.220 nan 8.360 nan 0.000 0.473 188 V N 0.762 120.625 119.914 -0.085 0.000 2.261 188 V HA -0.242 3.889 4.120 0.017 0.000 0.246 188 V C 2.328 178.354 176.094 -0.114 0.000 1.047 188 V CA 1.896 64.119 62.300 -0.129 0.000 1.015 188 V CB -0.881 30.881 31.823 -0.101 0.000 0.642 188 V HN 0.417 nan 8.190 nan 0.000 0.446 189 A N -0.794 121.983 122.820 -0.072 0.000 1.972 189 A HA -0.191 4.140 4.320 0.017 0.000 0.219 189 A C 2.466 180.017 177.584 -0.054 0.000 1.169 189 A CA 2.196 54.198 52.037 -0.057 0.000 0.635 189 A CB -0.555 18.423 19.000 -0.038 0.000 0.810 189 A HN 0.502 nan 8.150 nan 0.000 0.446 190 S N -0.304 115.365 115.700 -0.051 0.000 2.371 190 S HA -0.040 4.441 4.470 0.017 0.000 0.224 190 S C 1.127 175.701 174.600 -0.045 0.000 1.029 190 S CA 0.666 58.844 58.200 -0.037 0.000 0.978 190 S CB -0.242 62.945 63.200 -0.022 0.000 0.833 190 S HN 0.813 nan 8.310 nan 0.000 0.466 191 R N 2.176 122.628 120.500 -0.080 0.000 2.590 191 R HA 0.225 4.576 4.340 0.017 0.000 0.274 191 R C -0.823 175.444 176.300 -0.056 0.000 1.061 191 R CA -0.327 55.726 56.100 -0.078 0.000 1.081 191 R CB 0.007 30.200 30.300 -0.179 0.000 0.984 191 R HN -0.049 nan 8.270 nan 0.000 0.448 192 D N 3.536 123.935 120.400 -0.002 0.000 2.346 192 D HA 0.115 4.766 4.640 0.017 0.000 0.260 192 D C -1.638 174.690 176.300 0.046 0.000 1.252 192 D CA -2.267 51.742 54.000 0.015 0.000 0.895 192 D CB 1.354 42.171 40.800 0.028 0.000 1.097 192 D HN 0.327 nan 8.370 nan 0.000 0.489 193 P HA -0.194 nan 4.420 nan 0.000 0.216 193 P C 1.107 178.460 177.300 0.089 0.000 1.150 193 P CA 1.291 64.428 63.100 0.062 0.000 0.843 193 P CB 0.213 31.922 31.700 0.016 0.000 0.787 194 K N -0.484 119.939 120.400 0.038 0.000 2.025 194 K HA -0.064 4.266 4.320 0.017 0.000 0.207 194 K C 2.007 178.610 176.600 0.005 0.000 1.049 194 K CA 1.133 57.422 56.287 0.002 0.000 0.933 194 K CB -0.559 31.933 32.500 -0.013 0.000 0.714 194 K HN 0.090 nan 8.250 nan 0.000 0.438 195 L N -0.034 121.215 121.223 0.044 0.000 2.240 195 L HA -0.140 4.210 4.340 0.017 0.000 0.211 195 L C 2.261 179.198 176.870 0.111 0.000 1.106 195 L CA 0.578 55.451 54.840 0.055 0.000 0.793 195 L CB -0.320 41.779 42.059 0.065 0.000 0.927 195 L HN 0.268 nan 8.230 nan 0.000 0.446 196 Y N 0.977 121.284 120.300 0.012 0.000 2.114 196 Y HA -0.279 4.281 4.550 0.017 0.000 0.284 196 Y C 2.521 178.457 175.900 0.060 0.000 1.143 196 Y CA 1.343 59.464 58.100 0.036 0.000 1.135 196 Y CB -0.378 38.090 38.460 0.014 0.000 0.980 196 Y HN 0.104 nan 8.280 nan 0.000 0.499 197 A N 0.014 122.841 122.820 0.013 0.000 1.940 197 A HA -0.217 4.113 4.320 0.017 0.000 0.219 197 A C 2.193 179.728 177.584 -0.083 0.000 1.176 197 A CA 2.279 54.263 52.037 -0.088 0.000 0.631 197 A CB -0.701 18.258 19.000 -0.069 0.000 0.814 197 A HN 0.590 nan 8.150 nan 0.000 0.446 198 M N -0.596 118.892 119.600 -0.186 0.000 2.465 198 M HA 0.065 4.555 4.480 0.017 0.000 0.249 198 M C 0.174 176.187 176.300 -0.478 0.000 1.130 198 M CA 0.389 55.406 55.300 -0.471 0.000 1.067 198 M CB -0.053 32.198 32.600 -0.582 0.000 1.394 198 M HN 0.737 nan 8.290 nan 0.000 0.483 199 H N -0.410 118.625 119.070 -0.058 0.000 2.415 199 H HA -0.082 4.485 4.556 0.017 0.000 0.323 199 H C -2.536 172.860 175.328 0.115 0.000 1.035 199 H CA -0.268 55.778 56.048 -0.003 0.000 1.098 199 H CB -2.321 27.392 29.762 -0.081 0.000 1.575 199 H HN 0.210 nan 8.280 nan 0.000 0.387 200 P HA -0.095 nan 4.420 nan 0.000 0.261 200 P C 0.350 177.796 177.300 0.243 0.000 1.183 200 P CA 0.175 63.387 63.100 0.188 0.000 0.761 200 P CB 0.368 32.193 31.700 0.207 0.000 0.785 201 W N 6.142 127.499 121.300 0.096 0.000 2.387 201 W HA 0.374 5.044 4.660 0.017 0.000 0.310 201 W C -1.405 175.094 176.519 -0.034 0.000 1.181 201 W CA -0.472 56.913 57.345 0.065 0.000 1.333 201 W CB 0.161 29.695 29.460 0.123 0.000 1.286 201 W HN 0.085 nan 8.180 nan 0.000 0.455 202 V N 5.422 125.439 119.914 0.172 0.000 3.007 202 V HA 0.599 4.729 4.120 0.017 0.000 0.311 202 V C -0.282 175.769 176.094 -0.072 0.000 1.120 202 V CA -0.784 61.415 62.300 -0.168 0.000 0.980 202 V CB 2.291 33.948 31.823 -0.278 0.000 1.033 202 V HN 0.425 nan 8.190 nan 0.000 0.429 203 T N 0.961 115.431 114.554 -0.139 0.000 2.903 203 T HA 0.473 4.834 4.350 0.017 0.000 0.299 203 T C 0.252 174.916 174.700 -0.060 0.000 1.093 203 T CA -0.103 61.960 62.100 -0.062 0.000 1.002 203 T CB 1.986 70.818 68.868 -0.061 0.000 1.127 203 T HN 0.592 nan 8.240 nan 0.000 0.488 204 S N 1.581 117.270 115.700 -0.017 0.000 2.559 204 S HA 0.267 4.747 4.470 0.017 0.000 0.226 204 S C 0.456 175.059 174.600 0.004 0.000 1.000 204 S CA -0.406 57.788 58.200 -0.008 0.000 0.948 204 S CB 0.116 63.319 63.200 0.005 0.000 0.870 204 S HN 0.604 nan 8.310 nan 0.000 0.497 205 K N 2.926 123.329 120.400 0.005 0.000 2.397 205 K HA 0.108 4.438 4.320 0.017 0.000 0.265 205 K C -1.896 174.703 176.600 -0.003 0.000 0.982 205 K CA -1.042 55.250 56.287 0.008 0.000 0.931 205 K CB -0.057 32.447 32.500 0.007 0.000 0.943 205 K HN 0.086 nan 8.250 nan 0.000 0.501 206 P HA -0.059 nan 4.420 nan 0.000 0.323 206 P C -0.697 176.586 177.300 -0.028 0.000 1.374 206 P CA 0.064 63.184 63.100 0.034 0.000 0.798 206 P CB 0.384 32.122 31.700 0.064 0.000 1.763 207 L N -0.057 121.150 121.223 -0.027 0.000 2.404 207 L HA 0.426 4.777 4.340 0.017 0.000 0.272 207 L C -2.518 174.179 176.870 -0.289 0.000 0.980 207 L CA -2.351 52.317 54.840 -0.286 0.000 0.836 207 L CB 2.151 43.820 42.059 -0.651 0.000 1.238 207 L HN 0.157 nan 8.230 nan 0.000 0.408 208 P HA 0.011 nan 4.420 nan 0.000 0.267 208 P C 0.070 177.137 177.300 -0.389 0.000 1.200 208 P CA 0.060 62.890 63.100 -0.451 0.000 0.772 208 P CB 0.798 31.927 31.700 -0.952 0.000 0.855 209 E N 1.304 121.422 120.200 -0.137 0.000 2.130 209 E HA -0.239 4.121 4.350 0.017 0.000 0.196 209 E C 1.606 178.229 176.600 0.039 0.000 0.998 209 E CA 1.705 58.145 56.400 0.065 0.000 0.806 209 E CB -0.642 29.122 29.700 0.106 0.000 0.738 209 E HN 0.669 nan 8.360 nan 0.000 0.459 210 Y N -1.087 119.244 120.300 0.051 0.000 2.561 210 Y HA 0.119 4.679 4.550 0.017 0.000 0.291 210 Y C 1.610 177.495 175.900 -0.025 0.000 1.141 210 Y CA 0.338 58.443 58.100 0.009 0.000 1.303 210 Y CB -0.240 38.205 38.460 -0.025 0.000 1.015 210 Y HN -0.064 nan 8.280 nan 0.000 0.547 211 L N -2.162 118.924 121.223 -0.228 0.000 2.515 211 L HA 0.114 4.464 4.340 0.017 0.000 0.223 211 L C 1.749 178.521 176.870 -0.165 0.000 1.079 211 L CA 0.104 54.827 54.840 -0.194 0.000 0.857 211 L CB -0.208 41.649 42.059 -0.337 0.000 1.050 211 L HN 0.254 nan 8.230 nan 0.000 0.476 212 W N 1.188 122.429 121.300 -0.098 0.000 2.355 212 W HA -0.209 4.461 4.660 0.017 0.000 0.309 212 W C 2.671 179.175 176.519 -0.025 0.000 1.206 212 W CA 0.829 58.140 57.345 -0.057 0.000 1.284 212 W CB 0.057 29.482 29.460 -0.058 0.000 1.145 212 W HN -0.031 nan 8.180 nan 0.000 0.502 213 K N 1.556 122.096 120.400 0.232 0.000 2.228 213 K HA -0.245 4.086 4.320 0.017 0.000 0.205 213 K C 1.524 178.189 176.600 0.109 0.000 1.045 213 K CA 1.559 57.933 56.287 0.145 0.000 0.931 213 K CB -0.445 32.125 32.500 0.117 0.000 0.727 213 K HN 0.154 nan 8.250 nan 0.000 0.458 214 K N 0.477 120.928 120.400 0.085 0.000 2.444 214 K HA 0.088 4.419 4.320 0.017 0.000 0.193 214 K C 0.071 176.709 176.600 0.064 0.000 1.024 214 K CA 0.162 56.479 56.287 0.049 0.000 1.077 214 K CB 0.208 32.712 32.500 0.006 0.000 0.833 214 K HN 0.171 nan 8.250 nan 0.000 0.517 215 I N 0.830 121.469 120.570 0.115 0.000 2.697 215 I HA 0.180 4.360 4.170 0.017 0.000 0.279 215 I C 0.034 176.254 176.117 0.171 0.000 1.171 215 I CA -0.361 61.027 61.300 0.146 0.000 1.135 215 I CB 1.554 39.661 38.000 0.178 0.000 1.445 215 I HN -0.163 nan 8.210 nan 0.000 0.541 216 A N 4.049 126.943 122.820 0.123 0.000 2.840 216 A HA 0.235 4.565 4.320 0.017 0.000 0.269 216 A C 0.809 178.442 177.584 0.082 0.000 1.439 216 A CA 0.124 52.219 52.037 0.097 0.000 1.083 216 A CB -0.975 18.070 19.000 0.074 0.000 1.019 216 A HN 0.832 nan 8.150 nan 0.000 0.607 217 N N -2.006 116.749 118.700 0.092 0.000 1.872 217 N HA -0.059 4.692 4.740 0.017 0.000 0.223 217 N C 0.041 175.585 175.510 0.057 0.000 1.424 217 N CA 0.181 53.274 53.050 0.072 0.000 0.710 217 N CB -0.866 37.676 38.487 0.092 0.000 1.074 217 N HN 0.259 nan 8.380 nan 0.000 0.544 218 N N -0.168 118.581 118.700 0.081 0.000 2.721 218 N HA -0.242 4.508 4.740 0.017 0.000 0.249 218 N C -1.213 174.323 175.510 0.043 0.000 1.072 218 N CA 1.041 54.140 53.050 0.081 0.000 0.710 218 N CB -1.339 37.166 38.487 0.030 0.000 0.993 218 N HN 0.647 nan 8.380 nan 0.000 0.547 219 C N 0.357 119.673 119.300 0.028 0.000 3.086 219 C HA 0.877 5.347 4.460 0.017 0.000 0.311 219 C C -0.733 174.200 174.990 -0.095 0.000 1.260 219 C CA -0.762 58.210 59.018 -0.078 0.000 1.426 219 C CB 1.909 29.562 27.740 -0.145 0.000 1.826 219 C HN 0.321 nan 8.230 nan 0.000 0.474 220 I N 2.777 123.215 120.570 -0.220 0.000 2.722 220 I HA 0.547 4.728 4.170 0.017 0.000 0.295 220 I C -1.329 174.617 176.117 -0.285 0.000 1.161 220 I CA -0.289 60.927 61.300 -0.139 0.000 1.032 220 I CB 1.806 39.776 38.000 -0.051 0.000 1.244 220 I HN 0.651 nan 8.210 nan 0.000 0.421 221 F N 7.131 127.068 119.950 -0.022 0.000 2.385 221 F HA 0.546 5.083 4.527 0.017 0.000 0.360 221 F C -0.099 175.663 175.800 -0.062 0.000 1.122 221 F CA -0.318 57.663 58.000 -0.033 0.000 1.090 221 F CB 0.882 39.863 39.000 -0.031 0.000 1.150 221 F HN 0.048 nan 8.300 nan 0.000 0.472 222 I N 4.092 124.697 120.570 0.059 0.000 2.433 222 I HA 0.412 4.592 4.170 0.017 0.000 0.292 222 I C -0.968 175.144 176.117 -0.007 0.000 1.001 222 I CA -1.030 60.266 61.300 -0.006 0.000 1.119 222 I CB 1.992 39.974 38.000 -0.029 0.000 1.289 222 I HN 0.122 nan 8.210 nan 0.000 0.438 223 V N 7.104 126.973 119.914 -0.075 0.000 2.328 223 V HA 0.420 4.550 4.120 0.017 0.000 0.278 223 V C 0.219 176.376 176.094 0.105 0.000 1.021 223 V CA -0.420 61.864 62.300 -0.027 0.000 0.838 223 V CB 1.059 32.824 31.823 -0.097 0.000 0.999 223 V HN 0.467 nan 8.190 nan 0.000 0.447 224 I N 4.680 125.266 120.570 0.028 0.000 2.499 224 I HA 0.511 4.692 4.170 0.017 0.000 0.296 224 I C -0.134 175.991 176.117 0.013 0.000 0.992 224 I CA -0.431 60.890 61.300 0.035 0.000 1.297 224 I CB 1.060 38.920 38.000 -0.234 0.000 1.410 224 I HN 0.592 nan 8.210 nan 0.000 0.507 225 H N 3.616 122.655 119.070 -0.051 0.000 2.834 225 H HA 0.590 5.157 4.556 0.017 0.000 0.369 225 H C 0.033 175.324 175.328 -0.061 0.000 1.174 225 H CA -0.721 55.314 56.048 -0.023 0.000 1.165 225 H CB 1.912 31.671 29.762 -0.004 0.000 1.820 225 H HN 0.380 nan 8.280 nan 0.000 0.558 226 R N 0.161 120.704 120.500 0.071 0.000 2.314 226 R HA 0.338 4.688 4.340 0.017 0.000 0.121 226 R C 1.418 177.726 176.300 0.012 0.000 1.756 226 R CA 0.261 56.362 56.100 0.001 0.000 1.493 226 R CB -0.065 30.214 30.300 -0.034 0.000 1.271 226 R HN 0.545 nan 8.270 nan 0.000 0.460 227 S N 0.228 115.931 115.700 0.005 0.000 2.315 227 S HA -0.069 4.412 4.470 0.017 0.000 0.196 227 S C 1.596 176.216 174.600 0.033 0.000 1.045 227 S CA 2.061 60.267 58.200 0.010 0.000 1.055 227 S CB -0.256 62.944 63.200 0.001 0.000 0.963 227 S HN 0.700 nan 8.310 nan 0.000 0.439 228 T N -1.057 113.514 114.554 0.028 0.000 2.975 228 T HA 0.189 4.549 4.350 0.017 0.000 0.257 228 T C 0.407 175.118 174.700 0.019 0.000 1.003 228 T CA -0.058 62.066 62.100 0.040 0.000 0.932 228 T CB -0.306 68.576 68.868 0.024 0.000 1.087 228 T HN 0.203 nan 8.240 nan 0.000 0.512 229 T N 3.319 117.874 114.554 0.001 0.000 2.867 229 T HA 0.425 4.785 4.350 0.017 0.000 0.297 229 T C -0.054 174.614 174.700 -0.054 0.000 0.989 229 T CA 0.015 62.102 62.100 -0.021 0.000 1.159 229 T CB 0.613 69.470 68.868 -0.018 0.000 0.928 229 T HN 0.471 nan 8.240 nan 0.000 0.538 230 S N 2.410 118.050 115.700 -0.100 0.000 2.564 230 S HA 0.676 5.156 4.470 0.017 0.000 0.274 230 S C -1.685 172.846 174.600 -0.115 0.000 1.124 230 S CA -0.798 57.270 58.200 -0.220 0.000 0.869 230 S CB 2.139 65.078 63.200 -0.436 0.000 1.105 230 S HN 0.654 nan 8.310 nan 0.000 0.472 231 Q N 1.260 121.007 119.800 -0.088 0.000 2.386 231 Q HA 0.504 4.855 4.340 0.017 0.000 0.274 231 Q C -1.506 174.513 176.000 0.031 0.000 1.011 231 Q CA -0.292 55.511 55.803 0.001 0.000 0.867 231 Q CB 1.977 30.747 28.738 0.053 0.000 1.409 231 Q HN 0.735 nan 8.270 nan 0.000 0.395 232 T N 3.335 117.923 114.554 0.055 0.000 2.909 232 T HA 0.735 5.096 4.350 0.017 0.000 0.286 232 T C -0.320 174.454 174.700 0.124 0.000 1.002 232 T CA -0.247 61.914 62.100 0.102 0.000 1.074 232 T CB 0.446 69.402 68.868 0.145 0.000 0.984 232 T HN 0.470 nan 8.240 nan 0.000 0.495 233 I N 1.942 122.578 120.570 0.110 0.000 2.545 233 I HA 0.302 4.483 4.170 0.017 0.000 0.292 233 I C -0.075 175.990 176.117 -0.087 0.000 1.040 233 I CA -0.743 60.588 61.300 0.052 0.000 1.068 233 I CB 1.990 40.039 38.000 0.081 0.000 1.251 233 I HN 0.427 nan 8.210 nan 0.000 0.424 234 K N 4.558 124.873 120.400 -0.140 0.000 2.349 234 K HA 0.588 4.919 4.320 0.017 0.000 0.288 234 K C -1.003 175.475 176.600 -0.203 0.000 1.058 234 K CA -0.272 55.830 56.287 -0.309 0.000 0.953 234 K CB 1.011 33.397 32.500 -0.190 0.000 0.997 234 K HN 0.275 nan 8.250 nan 0.000 0.477 235 V N 1.919 121.682 119.914 -0.251 0.000 2.841 235 V HA 0.240 4.370 4.120 0.017 0.000 0.310 235 V C -0.487 175.543 176.094 -0.106 0.000 1.090 235 V CA -0.878 61.344 62.300 -0.129 0.000 0.930 235 V CB 2.304 34.069 31.823 -0.097 0.000 1.014 235 V HN 0.933 nan 8.190 nan 0.000 0.425 236 S N 3.765 119.440 115.700 -0.042 0.000 2.578 236 S HA 0.520 5.000 4.470 0.017 0.000 0.283 236 S C -2.024 172.596 174.600 0.033 0.000 1.195 236 S CA -1.417 56.782 58.200 -0.001 0.000 1.050 236 S CB 1.774 64.981 63.200 0.013 0.000 1.012 236 S HN 0.492 nan 8.310 nan 0.000 0.511 237 P HA -0.101 nan 4.420 nan 0.000 0.217 237 P C 0.096 177.458 177.300 0.102 0.000 1.148 237 P CA 1.385 64.546 63.100 0.102 0.000 0.834 237 P CB -0.102 31.746 31.700 0.246 0.000 0.783 238 D N -2.017 118.445 120.400 0.103 0.000 2.340 238 D HA -0.013 4.637 4.640 0.017 0.000 0.220 238 D C 0.076 176.420 176.300 0.073 0.000 1.039 238 D CA 0.351 54.406 54.000 0.091 0.000 0.866 238 D CB -0.529 40.321 40.800 0.083 0.000 0.913 238 D HN 0.149 nan 8.370 nan 0.000 0.523 239 D N 0.965 121.401 120.400 0.060 0.000 2.455 239 D HA 0.030 4.680 4.640 0.017 0.000 0.241 239 D C 0.289 176.631 176.300 0.071 0.000 1.138 239 D CA 0.584 54.615 54.000 0.051 0.000 0.877 239 D CB 0.722 41.539 40.800 0.030 0.000 1.187 239 D HN -0.050 nan 8.370 nan 0.000 0.451 240 T N 3.438 118.036 114.554 0.072 0.000 2.909 240 T HA 0.165 4.525 4.350 0.017 0.000 0.289 240 T C -1.374 173.364 174.700 0.063 0.000 1.005 240 T CA -1.392 60.764 62.100 0.094 0.000 1.084 240 T CB 1.244 70.163 68.868 0.086 0.000 0.975 240 T HN 0.175 nan 8.240 nan 0.000 0.509 241 P HA -0.210 nan 4.420 nan 0.000 0.219 241 P C 1.669 178.989 177.300 0.033 0.000 1.153 241 P CA 1.364 64.466 63.100 0.004 0.000 0.865 241 P CB -0.196 31.508 31.700 0.006 0.000 0.788 242 G N 0.099 108.930 108.800 0.051 0.000 2.404 242 G HA2 -0.176 3.794 3.960 0.017 0.000 0.215 242 G HA3 -0.176 3.794 3.960 0.017 0.000 0.215 242 G C 1.605 176.536 174.900 0.051 0.000 1.174 242 G CA 0.871 45.998 45.100 0.045 0.000 0.780 242 G HN 0.393 nan 8.290 nan 0.000 0.537 243 A N -0.280 122.571 122.820 0.052 0.000 2.239 243 A HA 0.340 4.670 4.320 0.017 0.000 0.209 243 A C 2.080 179.701 177.584 0.062 0.000 1.171 243 A CA 0.558 52.627 52.037 0.053 0.000 0.768 243 A CB -0.233 18.795 19.000 0.046 0.000 0.790 243 A HN 0.418 nan 8.150 nan 0.000 0.478 244 I N -1.706 118.903 120.570 0.065 0.000 3.616 244 I HA 0.025 4.206 4.170 0.017 0.000 0.296 244 I C 1.952 178.158 176.117 0.148 0.000 1.226 244 I CA 0.211 61.557 61.300 0.076 0.000 1.394 244 I CB 0.009 38.026 38.000 0.027 0.000 1.171 244 I HN 0.208 nan 8.210 nan 0.000 0.442 245 L N 0.532 121.846 121.223 0.153 0.000 2.083 245 L HA -0.208 4.142 4.340 0.017 0.000 0.209 245 L C 2.508 179.620 176.870 0.404 0.000 1.083 245 L CA 1.484 56.492 54.840 0.280 0.000 0.752 245 L CB -0.416 41.743 42.059 0.167 0.000 0.899 245 L HN 0.333 nan 8.230 nan 0.000 0.433 246 Q N -1.388 118.549 119.800 0.229 0.000 2.245 246 Q HA -0.107 4.243 4.340 0.017 0.000 0.201 246 Q C 2.196 178.312 176.000 0.193 0.000 0.955 246 Q CA 1.106 57.032 55.803 0.205 0.000 0.870 246 Q CB -0.011 28.791 28.738 0.107 0.000 0.945 246 Q HN 0.303 nan 8.270 nan 0.000 0.461 247 S N -0.352 115.451 115.700 0.173 0.000 2.603 247 S HA -0.047 4.433 4.470 0.017 0.000 0.229 247 S C 0.957 175.674 174.600 0.194 0.000 0.972 247 S CA 0.322 58.604 58.200 0.137 0.000 0.935 247 S CB -0.049 63.209 63.200 0.096 0.000 0.769 247 S HN 0.402 nan 8.310 nan 0.000 0.536 248 F N -0.587 119.419 119.950 0.093 0.000 2.495 248 F HA 0.350 4.888 4.527 0.017 0.000 0.272 248 F C 1.138 176.953 175.800 0.026 0.000 0.919 248 F CA -0.100 57.927 58.000 0.046 0.000 1.178 248 F CB -0.303 38.729 39.000 0.055 0.000 1.030 248 F HN 0.177 nan 8.300 nan 0.000 0.777 249 F N 1.653 121.663 119.950 0.101 0.000 2.084 249 F HA -0.114 4.424 4.527 0.017 0.000 0.296 249 F C 2.445 178.208 175.800 -0.061 0.000 1.111 249 F CA 2.319 60.315 58.000 -0.007 0.000 1.224 249 F CB -1.010 38.074 39.000 0.140 0.000 0.991 249 F HN -0.091 nan 8.300 nan 0.000 0.471 250 T N -0.665 114.005 114.554 0.194 0.000 3.072 250 T HA -0.097 4.264 4.350 0.017 0.000 0.266 250 T C 1.920 176.632 174.700 0.020 0.000 1.127 250 T CA 0.635 62.790 62.100 0.092 0.000 1.107 250 T CB 0.020 68.940 68.868 0.087 0.000 0.910 250 T HN 0.020 nan 8.240 nan 0.000 0.513 251 K N 0.294 120.682 120.400 -0.020 0.000 2.141 251 K HA 0.235 4.566 4.320 0.017 0.000 0.202 251 K C 0.597 177.110 176.600 -0.144 0.000 1.045 251 K CA 0.428 56.676 56.287 -0.064 0.000 0.971 251 K CB 0.233 32.706 32.500 -0.045 0.000 0.795 251 K HN 0.291 nan 8.250 nan 0.000 0.459 252 M N 1.089 120.516 119.600 -0.288 0.000 2.197 252 M HA 0.370 4.860 4.480 0.017 0.000 0.301 252 M C -1.822 174.235 176.300 -0.404 0.000 0.987 252 M CA -0.488 54.590 55.300 -0.370 0.000 0.921 252 M CB 1.685 33.973 32.600 -0.520 0.000 1.569 252 M HN -0.007 nan 8.290 nan 0.000 0.431 253 A N 5.273 127.951 122.820 -0.237 0.000 2.303 253 A HA 0.776 5.106 4.320 0.017 0.000 0.320 253 A C -0.349 177.143 177.584 -0.153 0.000 1.192 253 A CA -0.273 51.660 52.037 -0.174 0.000 0.821 253 A CB 0.719 19.681 19.000 -0.064 0.000 1.188 253 A HN 0.959 nan 8.150 nan 0.000 0.492 270 F N 0.539 120.489 119.950 0.001 0.000 2.611 270 F HA 0.712 5.250 4.527 0.017 0.000 0.374 270 F C 0.289 176.106 175.800 0.028 0.000 1.110 270 F CA -0.733 57.295 58.000 0.047 0.000 1.090 270 F CB 1.730 40.808 39.000 0.129 0.000 1.388 270 F HN -0.077 nan 8.300 nan 0.000 0.501 271 V N 0.865 120.949 119.914 0.283 0.000 3.204 271 V HA 0.415 4.545 4.120 0.017 0.000 0.298 271 V C -1.591 174.577 176.094 0.123 0.000 1.328 271 V CA -0.937 61.455 62.300 0.153 0.000 1.035 271 V CB 2.529 34.416 31.823 0.106 0.000 1.095 271 V HN 0.483 nan 8.190 nan 0.000 0.442 272 L N 4.788 126.054 121.223 0.072 0.000 2.255 272 L HA 0.635 4.985 4.340 0.017 0.000 0.289 272 L C 0.070 176.937 176.870 -0.005 0.000 1.046 272 L CA -0.191 54.648 54.840 -0.003 0.000 0.816 272 L CB 1.091 43.109 42.059 -0.069 0.000 1.197 272 L HN 0.564 nan 8.230 nan 0.000 0.427 273 R N 2.756 123.201 120.500 -0.091 0.000 2.637 273 R HA 0.561 4.911 4.340 0.017 0.000 0.291 273 R C -1.012 175.085 176.300 -0.339 0.000 0.963 273 R CA -0.690 55.213 56.100 -0.328 0.000 0.901 273 R CB 2.033 32.072 30.300 -0.436 0.000 1.160 273 R HN 0.332 nan 8.270 nan 0.000 0.457 274 V N 3.998 123.633 119.914 -0.465 0.000 2.637 274 V HA 0.023 4.153 4.120 0.017 0.000 0.296 274 V C 0.258 176.107 176.094 -0.408 0.000 1.046 274 V CA -0.406 61.610 62.300 -0.472 0.000 1.066 274 V CB 0.849 32.127 31.823 -0.909 0.000 0.968 274 V HN 0.847 nan 8.190 nan 0.000 0.483 275 C N 5.057 124.195 119.300 -0.270 0.000 2.638 275 C HA 0.463 4.934 4.460 0.017 0.000 0.410 275 C C 1.558 176.412 174.990 -0.228 0.000 1.404 275 C CA 0.685 59.563 59.018 -0.234 0.000 1.651 275 C CB -1.074 26.541 27.740 -0.209 0.000 2.495 275 C HN 1.339 nan 8.230 nan 0.000 0.606 276 G N 3.625 112.292 108.800 -0.221 0.000 2.175 276 G HA2 -0.182 3.789 3.960 0.017 0.000 0.244 276 G HA3 -0.182 3.789 3.960 0.017 0.000 0.244 276 G C -0.086 174.674 174.900 -0.234 0.000 0.982 276 G CA 0.008 44.996 45.100 -0.187 0.000 0.641 276 G HN 0.751 nan 8.290 nan 0.000 0.527 277 R N -0.566 119.742 120.500 -0.320 0.000 2.740 277 R HA 0.434 4.784 4.340 0.017 0.000 0.273 277 R C -1.639 174.437 176.300 -0.374 0.000 0.998 277 R CA -0.885 55.004 56.100 -0.353 0.000 0.900 277 R CB 1.243 31.251 30.300 -0.488 0.000 1.223 277 R HN 0.072 nan 8.270 nan 0.000 0.466 278 D N 1.747 121.976 120.400 -0.284 0.000 2.608 278 D HA 0.075 4.725 4.640 0.017 0.000 0.224 278 D C -0.958 175.201 176.300 -0.235 0.000 1.123 278 D CA 0.309 54.163 54.000 -0.244 0.000 1.030 278 D CB 0.307 41.068 40.800 -0.066 0.000 1.093 278 D HN 0.292 nan 8.370 nan 0.000 0.497 279 E N 1.808 121.676 120.200 -0.554 0.000 2.321 279 E HA 0.339 4.700 4.350 0.017 0.000 0.278 279 E C -1.941 174.292 176.600 -0.612 0.000 0.902 279 E CA -0.704 55.443 56.400 -0.422 0.000 0.758 279 E CB 0.598 30.099 29.700 -0.331 0.000 1.213 279 E HN 0.163 nan 8.360 nan 0.000 0.426 280 Y N 2.734 122.918 120.300 -0.193 0.000 2.499 280 Y HA 0.494 5.054 4.550 0.017 0.000 0.347 280 Y C -0.638 175.215 175.900 -0.078 0.000 0.987 280 Y CA -1.238 56.773 58.100 -0.148 0.000 1.044 280 Y CB 1.548 39.917 38.460 -0.151 0.000 1.245 280 Y HN 0.336 nan 8.280 nan 0.000 0.461 281 L N 4.891 126.095 121.223 -0.033 0.000 2.321 281 L HA 0.568 4.918 4.340 0.017 0.000 0.272 281 L C -0.238 176.558 176.870 -0.124 0.000 1.050 281 L CA -0.587 54.031 54.840 -0.371 0.000 0.893 281 L CB -0.221 41.460 42.059 -0.631 0.000 1.272 281 L HN 0.527 nan 8.230 nan 0.000 0.435 282 V N -0.584 119.442 119.914 0.186 0.000 3.181 282 V HA 1.077 5.207 4.120 0.017 0.000 0.308 282 V C 0.141 176.425 176.094 0.317 0.000 1.214 282 V CA -0.244 62.172 62.300 0.193 0.000 1.053 282 V CB 1.613 33.495 31.823 0.098 0.000 1.069 282 V HN 0.939 nan 8.190 nan 0.000 0.441 283 G N 1.171 110.079 108.800 0.179 0.000 2.758 283 G HA2 -0.024 3.946 3.960 0.017 0.000 0.686 283 G HA3 -0.024 3.946 3.960 0.017 0.000 0.686 283 G C -0.638 174.353 174.900 0.151 0.000 1.389 283 G CA -0.102 45.082 45.100 0.140 0.000 0.845 283 G HN 1.308 nan 8.290 nan 0.000 0.572 284 E N 1.259 121.512 120.200 0.089 0.000 1.791 284 E HA 0.428 4.788 4.350 0.017 0.000 0.263 284 E C 0.317 176.957 176.600 0.066 0.000 1.213 284 E CA 0.480 56.926 56.400 0.077 0.000 0.991 284 E CB -0.020 29.709 29.700 0.048 0.000 1.068 284 E HN 0.635 nan 8.360 nan 0.000 0.417 285 T N 2.308 116.932 114.554 0.117 0.000 2.982 285 T HA 0.351 4.711 4.350 0.017 0.000 0.321 285 T C -2.716 172.105 174.700 0.202 0.000 1.229 285 T CA -1.514 60.631 62.100 0.075 0.000 1.044 285 T CB 2.151 70.926 68.868 -0.155 0.000 1.184 285 T HN 0.013 nan 8.240 nan 0.000 0.477 286 P HA 0.167 nan 4.420 nan 0.000 0.269 286 P C 0.979 178.455 177.300 0.294 0.000 1.209 286 P CA -0.459 62.741 63.100 0.165 0.000 0.776 286 P CB 0.259 32.022 31.700 0.104 0.000 0.876 287 I N 2.103 122.815 120.570 0.237 0.000 2.361 287 I HA -0.241 3.940 4.170 0.017 0.000 0.251 287 I C 1.881 178.126 176.117 0.213 0.000 1.133 287 I CA 1.543 62.989 61.300 0.243 0.000 1.413 287 I CB -1.465 36.547 38.000 0.021 0.000 1.073 287 I HN 0.311 nan 8.210 nan 0.000 0.424 288 K N 0.734 121.188 120.400 0.090 0.000 2.442 288 K HA -0.108 4.222 4.320 0.017 0.000 0.198 288 K C 0.744 177.326 176.600 -0.030 0.000 1.044 288 K CA 1.637 57.907 56.287 -0.028 0.000 0.948 288 K CB -0.470 31.974 32.500 -0.093 0.000 0.762 288 K HN 0.309 nan 8.250 nan 0.000 0.472 289 N N -0.292 118.439 118.700 0.051 0.000 2.234 289 N HA 0.218 4.968 4.740 0.017 0.000 0.227 289 N C -1.379 174.043 175.510 -0.147 0.000 1.151 289 N CA -0.258 52.760 53.050 -0.055 0.000 0.865 289 N CB 0.317 38.757 38.487 -0.078 0.000 1.066 289 N HN 0.044 nan 8.380 nan 0.000 0.515 290 F N 0.610 120.525 119.950 -0.060 0.000 2.397 290 F HA 0.316 4.853 4.527 0.018 0.000 0.331 290 F C 1.743 177.458 175.800 -0.142 0.000 1.090 290 F CA -0.619 57.350 58.000 -0.051 0.000 1.065 290 F CB 1.452 40.465 39.000 0.021 0.000 1.184 290 F HN -0.113 nan 8.300 nan 0.000 0.499 291 Q N 2.201 121.933 119.800 -0.114 0.000 2.123 291 Q HA -0.208 4.142 4.340 0.017 0.000 0.199 291 Q C 2.178 178.077 176.000 -0.169 0.000 0.966 291 Q CA 1.216 56.766 55.803 -0.421 0.000 0.845 291 Q CB -0.406 27.519 28.738 -1.355 0.000 0.907 291 Q HN 0.864 nan 8.270 nan 0.000 0.439 292 W N 1.031 122.264 121.300 -0.112 0.000 2.374 292 W HA -0.154 4.517 4.660 0.017 0.000 0.288 292 W C 1.479 178.009 176.519 0.018 0.000 1.218 292 W CA 1.055 58.381 57.345 -0.032 0.000 1.245 292 W CB 0.311 29.774 29.460 0.006 0.000 1.126 292 W HN -0.067 nan 8.180 nan 0.000 0.545 293 V N 1.297 121.213 119.914 0.005 0.000 2.407 293 V HA -0.225 3.905 4.120 0.017 0.000 0.245 293 V C 2.473 178.471 176.094 -0.160 0.000 1.041 293 V CA 1.742 63.993 62.300 -0.081 0.000 1.040 293 V CB -0.722 31.110 31.823 0.016 0.000 0.671 293 V HN 0.068 nan 8.190 nan 0.000 0.455 294 R N -0.511 119.901 120.500 -0.146 0.000 2.148 294 R HA -0.170 4.180 4.340 0.017 0.000 0.227 294 R C 2.228 178.419 176.300 -0.181 0.000 1.103 294 R CA 1.659 57.654 56.100 -0.174 0.000 0.983 294 R CB -0.510 29.685 30.300 -0.174 0.000 0.874 294 R HN 0.699 nan 8.270 nan 0.000 0.451 295 H N 0.166 119.043 119.070 -0.321 0.000 2.307 295 H HA -0.073 4.493 4.556 0.017 0.000 0.303 295 H C 2.041 177.134 175.328 -0.392 0.000 1.073 295 H CA 1.933 57.765 56.048 -0.361 0.000 1.338 295 H CB -0.211 29.264 29.762 -0.479 0.000 1.389 295 H HN 0.085 nan 8.280 nan 0.000 0.503 296 C N 0.520 119.557 119.300 -0.439 0.000 2.401 296 C HA -0.146 4.324 4.460 0.017 0.000 0.276 296 C C 2.833 177.664 174.990 -0.266 0.000 1.233 296 C CA 1.099 59.889 59.018 -0.381 0.000 1.753 296 C CB -1.179 26.363 27.740 -0.330 0.000 2.029 296 C HN 0.547 nan 8.230 nan 0.000 0.478 297 L N 0.601 121.692 121.223 -0.221 0.000 1.937 297 L HA -0.187 4.163 4.340 0.017 0.000 0.213 297 L C 2.669 179.439 176.870 -0.166 0.000 1.077 297 L CA 1.750 56.493 54.840 -0.161 0.000 0.758 297 L CB -0.965 41.003 42.059 -0.150 0.000 0.888 297 L HN 0.270 nan 8.230 nan 0.000 0.433 298 K N 0.270 120.565 120.400 -0.176 0.000 2.207 298 K HA -0.246 4.084 4.320 0.017 0.000 0.208 298 K C 1.502 177.982 176.600 -0.201 0.000 1.046 298 K CA 1.794 57.990 56.287 -0.152 0.000 0.929 298 K CB -0.195 32.221 32.500 -0.139 0.000 0.720 298 K HN 0.429 nan 8.250 nan 0.000 0.463 299 N N -0.672 117.849 118.700 -0.298 0.000 2.336 299 N HA -0.010 4.740 4.740 0.017 0.000 0.189 299 N C 0.462 175.871 175.510 -0.168 0.000 1.113 299 N CA 0.634 53.515 53.050 -0.281 0.000 0.858 299 N CB 0.626 38.833 38.487 -0.468 0.000 0.970 299 N HN 0.407 nan 8.380 nan 0.000 0.471 300 G N 1.531 110.250 108.800 -0.135 0.000 2.179 300 G HA2 -0.261 3.710 3.960 0.017 0.000 0.257 300 G HA3 -0.261 3.710 3.960 0.017 0.000 0.257 300 G C -0.134 174.727 174.900 -0.065 0.000 1.010 300 G CA 0.282 45.333 45.100 -0.082 0.000 0.736 300 G HN 0.383 nan 8.290 nan 0.000 0.513 301 E N 0.001 120.147 120.200 -0.091 0.000 2.212 301 E HA 0.391 4.752 4.350 0.017 0.000 0.270 301 E C -0.064 176.525 176.600 -0.020 0.000 0.956 301 E CA -0.682 55.690 56.400 -0.047 0.000 0.825 301 E CB 1.141 30.799 29.700 -0.070 0.000 1.167 301 E HN 0.521 nan 8.360 nan 0.000 0.400 302 E N 1.841 122.072 120.200 0.053 0.000 2.259 302 E HA 0.216 4.576 4.350 0.017 0.000 0.281 302 E C -0.313 176.324 176.600 0.060 0.000 1.027 302 E CA -0.270 56.157 56.400 0.046 0.000 0.838 302 E CB 0.968 30.722 29.700 0.090 0.000 1.066 302 E HN 0.302 nan 8.360 nan 0.000 0.401 303 I N 3.391 123.947 120.570 -0.023 0.000 2.517 303 I HA 0.049 4.229 4.170 0.017 0.000 0.285 303 I C -0.082 175.994 176.117 -0.069 0.000 1.106 303 I CA 0.301 61.628 61.300 0.045 0.000 1.402 303 I CB -0.072 37.948 38.000 0.033 0.000 1.399 303 I HN 0.421 nan 8.210 nan 0.000 0.535 304 H N 4.469 123.667 119.070 0.213 0.000 2.547 304 H HA 0.677 5.244 4.556 0.017 0.000 0.342 304 H C -0.949 174.389 175.328 0.017 0.000 1.048 304 H CA -0.531 55.591 56.048 0.124 0.000 1.204 304 H CB 1.955 31.758 29.762 0.068 0.000 1.493 304 H HN 0.276 nan 8.280 nan 0.000 0.511 305 V N 3.675 123.639 119.914 0.083 0.000 2.808 305 V HA 0.241 4.371 4.120 0.017 0.000 0.308 305 V C -0.742 175.334 176.094 -0.031 0.000 1.099 305 V CA -0.848 61.433 62.300 -0.032 0.000 0.920 305 V CB 2.461 34.259 31.823 -0.042 0.000 1.014 305 V HN 0.498 nan 8.190 nan 0.000 0.425 306 V N 5.195 125.045 119.914 -0.107 0.000 2.612 306 V HA 0.618 4.748 4.120 0.017 0.000 0.301 306 V C -0.449 175.601 176.094 -0.074 0.000 1.046 306 V CA -0.575 61.679 62.300 -0.075 0.000 0.946 306 V CB 1.748 33.505 31.823 -0.109 0.000 1.003 306 V HN 0.764 nan 8.190 nan 0.000 0.459 307 L N 7.473 128.646 121.223 -0.084 0.000 2.276 307 L HA 0.607 4.957 4.340 0.017 0.000 0.286 307 L C -0.326 176.492 176.870 -0.087 0.000 1.061 307 L CA 0.572 55.349 54.840 -0.106 0.000 0.807 307 L CB 0.676 42.612 42.059 -0.205 0.000 1.177 307 L HN 0.953 nan 8.230 nan 0.000 0.429 308 D N 1.279 121.699 120.400 0.034 0.000 2.851 308 D HA 0.206 4.856 4.640 0.017 0.000 0.339 308 D C -0.923 175.600 176.300 0.372 0.000 1.347 308 D CA -0.381 53.708 54.000 0.147 0.000 0.888 308 D CB 0.794 41.649 40.800 0.093 0.000 1.431 308 D HN 0.417 nan 8.370 nan 0.000 0.509 309 T N -1.743 113.034 114.554 0.372 0.000 2.868 309 T HA 0.458 4.818 4.350 0.017 0.000 0.292 309 T C -2.263 172.511 174.700 0.123 0.000 1.028 309 T CA -1.075 61.172 62.100 0.245 0.000 1.059 309 T CB 0.447 69.395 68.868 0.133 0.000 0.991 309 T HN 0.262 nan 8.240 nan 0.000 0.531 310 P HA 0.161 nan 4.420 nan 0.000 0.264 310 P C -2.341 174.926 177.300 -0.056 0.000 1.183 310 P CA -1.024 62.037 63.100 -0.064 0.000 0.763 310 P CB -0.700 30.947 31.700 -0.087 0.000 0.807 311 P HA 0.081 nan 4.420 nan 0.000 0.275 311 P C -0.300 176.962 177.300 -0.063 0.000 1.227 311 P CA -0.003 63.063 63.100 -0.057 0.000 0.781 311 P CB 0.414 32.075 31.700 -0.064 0.000 0.906 312 D N 4.059 124.435 120.400 -0.039 0.000 2.451 312 D HA 0.010 4.660 4.640 0.017 0.000 0.254 312 D C -1.362 174.919 176.300 -0.031 0.000 1.204 312 D CA -1.489 52.490 54.000 -0.036 0.000 0.896 312 D CB 0.272 41.053 40.800 -0.030 0.000 1.136 312 D HN 0.137 nan 8.370 nan 0.000 0.499 313 P HA -0.145 nan 4.420 nan 0.000 0.218 313 P C 0.821 178.124 177.300 0.004 0.000 1.146 313 P CA 1.245 64.345 63.100 -0.000 0.000 0.813 313 P CB 0.121 31.820 31.700 -0.003 0.000 0.778 314 A N -1.056 121.756 122.820 -0.014 0.000 2.172 314 A HA -0.105 4.225 4.320 0.017 0.000 0.216 314 A C 1.995 179.567 177.584 -0.021 0.000 1.154 314 A CA 0.966 52.992 52.037 -0.019 0.000 0.701 314 A CB -1.465 17.519 19.000 -0.026 0.000 0.789 314 A HN 0.170 nan 8.150 nan 0.000 0.465 315 L N -0.605 120.606 121.223 -0.021 0.000 2.201 315 L HA -0.094 4.256 4.340 0.017 0.000 0.212 315 L C 0.703 177.566 176.870 -0.012 0.000 1.105 315 L CA 0.804 55.626 54.840 -0.030 0.000 0.775 315 L CB -0.227 41.807 42.059 -0.042 0.000 0.913 315 L HN 0.196 nan 8.230 nan 0.000 0.440 316 D N 0.158 120.574 120.400 0.026 0.000 2.434 316 D HA -0.014 4.636 4.640 0.017 0.000 0.232 316 D C 0.474 176.801 176.300 0.045 0.000 1.166 316 D CA 0.136 54.189 54.000 0.089 0.000 0.830 316 D CB -0.083 40.861 40.800 0.241 0.000 0.960 316 D HN 0.324 nan 8.370 nan 0.000 0.497 317 E N 1.054 121.253 120.200 -0.001 0.000 2.351 317 E HA 0.082 4.442 4.350 0.017 0.000 0.266 317 E C -0.383 176.194 176.600 -0.039 0.000 1.031 317 E CA -0.186 56.197 56.400 -0.028 0.000 0.911 317 E CB 0.784 30.460 29.700 -0.040 0.000 0.986 317 E HN -0.174 nan 8.360 nan 0.000 0.446 318 V N 5.632 125.515 119.914 -0.052 0.000 2.607 318 V HA 0.191 4.321 4.120 0.017 0.000 0.289 318 V C 1.234 177.276 176.094 -0.087 0.000 1.053 318 V CA -0.363 61.901 62.300 -0.061 0.000 0.996 318 V CB 1.282 33.067 31.823 -0.064 0.000 0.995 318 V HN 0.764 nan 8.190 nan 0.000 0.476 319 R N 2.770 123.192 120.500 -0.130 0.000 3.271 319 R HA 0.233 4.584 4.340 0.017 0.000 0.245 319 R C 0.001 176.215 176.300 -0.142 0.000 1.112 319 R CA -0.251 55.729 56.100 -0.200 0.000 1.102 319 R CB 0.320 30.363 30.300 -0.429 0.000 0.928 319 R HN 0.826 nan 8.270 nan 0.000 0.497 320 K N 0.828 121.135 120.400 -0.155 0.000 2.413 320 K HA 0.292 4.622 4.320 0.017 0.000 0.257 320 K C -1.270 175.298 176.600 -0.053 0.000 0.946 320 K CA -0.565 55.670 56.287 -0.087 0.000 0.823 320 K CB 2.018 34.472 32.500 -0.076 0.000 1.109 320 K HN 0.420 nan 8.250 nan 0.000 0.427 321 E N 2.339 122.529 120.200 -0.016 0.000 2.055 321 E HA 0.324 4.684 4.350 0.017 0.000 0.274 321 E C -0.356 176.248 176.600 0.007 0.000 0.949 321 E CA -0.423 55.988 56.400 0.018 0.000 0.775 321 E CB 1.250 30.971 29.700 0.036 0.000 1.097 321 E HN 0.804 nan 8.360 nan 0.000 0.404 358 D N 0.431 120.834 120.400 0.006 0.000 3.719 358 D HA 0.367 5.017 4.640 0.017 0.000 0.292 358 D C -0.711 175.594 176.300 0.008 0.000 1.511 358 D CA 0.029 54.033 54.000 0.007 0.000 0.760 358 D CB 0.144 40.943 40.800 -0.002 0.000 1.333 358 D HN 0.546 nan 8.370 nan 0.000 0.684 359 R N 0.121 120.632 120.500 0.018 0.000 2.837 359 R HA 0.518 4.869 4.340 0.017 0.000 0.271 359 R C -0.690 175.640 176.300 0.049 0.000 0.993 359 R CA -0.713 55.396 56.100 0.014 0.000 0.931 359 R CB 1.108 31.399 30.300 -0.014 0.000 1.206 359 R HN -0.146 nan 8.270 nan 0.000 0.474 360 K N 1.892 122.321 120.400 0.049 0.000 2.472 360 K HA -0.042 4.288 4.320 0.017 0.000 0.280 360 K C -0.272 176.419 176.600 0.152 0.000 1.028 360 K CA 0.437 56.788 56.287 0.106 0.000 1.045 360 K CB 0.152 32.700 32.500 0.080 0.000 0.902 360 K HN 0.364 nan 8.250 nan 0.000 0.478 361 F N 4.398 124.409 119.950 0.101 0.000 2.563 361 F HA 0.002 4.540 4.527 0.018 0.000 0.363 361 F C 0.496 176.458 175.800 0.269 0.000 1.123 361 F CA 0.132 58.208 58.000 0.126 0.000 1.307 361 F CB 0.515 39.541 39.000 0.043 0.000 1.115 361 F HN 0.489 nan 8.300 nan 0.000 0.592 362 R N 5.271 125.336 120.500 -0.726 0.000 2.621 362 R HA 0.771 5.121 4.340 0.017 0.000 0.284 362 R C -2.392 173.658 176.300 -0.417 0.000 0.998 362 R CA -1.099 54.808 56.100 -0.321 0.000 0.895 362 R CB 1.667 31.866 30.300 -0.169 0.000 1.195 362 R HN 0.596 nan 8.270 nan 0.000 0.450 363 V N 2.471 122.432 119.914 0.077 0.000 2.656 363 V HA 0.427 4.558 4.120 0.017 0.000 0.307 363 V C -1.005 175.169 176.094 0.134 0.000 1.051 363 V CA -0.925 61.472 62.300 0.161 0.000 0.893 363 V CB 2.046 34.035 31.823 0.275 0.000 0.999 363 V HN 0.877 nan 8.190 nan 0.000 0.426 364 K N 7.318 127.631 120.400 -0.145 0.000 2.264 364 K HA 0.441 4.772 4.320 0.017 0.000 0.277 364 K C -0.735 175.717 176.600 -0.245 0.000 1.067 364 K CA -0.678 55.303 56.287 -0.509 0.000 0.900 364 K CB 0.717 32.458 32.500 -1.264 0.000 1.124 364 K HN 0.605 nan 8.250 nan 0.000 0.469 365 I N 6.064 126.541 120.570 -0.155 0.000 2.363 365 I HA 0.089 4.269 4.170 0.017 0.000 0.292 365 I C 1.372 177.480 176.117 -0.015 0.000 1.075 365 I CA 0.156 61.416 61.300 -0.066 0.000 1.333 365 I CB 0.658 38.602 38.000 -0.092 0.000 1.415 365 I HN 0.759 nan 8.210 nan 0.000 0.502 366 R N 4.070 124.569 120.500 -0.002 0.000 2.051 366 R HA 0.268 4.619 4.340 0.017 0.000 0.225 366 R C 0.950 177.328 176.300 0.130 0.000 1.155 366 R CA 0.800 56.912 56.100 0.020 0.000 0.945 366 R CB 0.093 30.378 30.300 -0.024 0.000 0.840 366 R HN 0.811 nan 8.270 nan 0.000 0.432 367 G N 0.045 108.934 108.800 0.147 0.000 2.430 367 G HA2 0.439 4.410 3.960 0.017 0.000 0.300 367 G HA3 0.439 4.410 3.960 0.017 0.000 0.300 367 G C -1.541 173.454 174.900 0.159 0.000 1.330 367 G CA -0.791 44.435 45.100 0.210 0.000 0.813 367 G HN 0.233 nan 8.290 nan 0.000 0.487 368 I N -2.357 118.306 120.570 0.155 0.000 3.002 368 I HA 0.962 5.142 4.170 0.017 0.000 0.310 368 I C -1.801 174.321 176.117 0.008 0.000 1.087 368 I CA -1.173 60.169 61.300 0.071 0.000 1.017 368 I CB 2.985 41.061 38.000 0.126 0.000 1.226 368 I HN 0.545 nan 8.210 nan 0.000 0.443 369 D N 3.156 123.526 120.400 -0.050 0.000 2.795 369 D HA 0.346 4.997 4.640 0.017 0.000 0.206 369 D C -1.296 174.945 176.300 -0.099 0.000 1.278 369 D CA -0.183 53.780 54.000 -0.062 0.000 0.839 369 D CB 1.442 42.203 40.800 -0.065 0.000 1.700 369 D HN 0.846 nan 8.370 nan 0.000 0.549 370 I N 2.321 122.841 120.570 -0.083 0.000 2.362 370 I HA 0.327 4.507 4.170 0.017 0.000 0.289 370 I C -1.681 174.398 176.117 -0.064 0.000 0.994 370 I CA -2.495 58.757 61.300 -0.081 0.000 1.158 370 I CB 2.194 40.152 38.000 -0.069 0.000 1.315 370 I HN 0.109 nan 8.210 nan 0.000 0.451 371 P HA -0.173 nan 4.420 nan 0.000 0.218 371 P C -0.291 176.985 177.300 -0.041 0.000 1.154 371 P CA 1.189 64.270 63.100 -0.032 0.000 0.872 371 P CB -0.005 31.688 31.700 -0.012 0.000 0.790 372 V N -0.001 119.891 119.914 -0.036 0.000 2.409 372 V HA 0.163 4.293 4.120 0.017 0.000 0.290 372 V C 1.090 177.150 176.094 -0.058 0.000 1.017 372 V CA -0.396 61.879 62.300 -0.042 0.000 0.841 372 V CB 1.682 33.493 31.823 -0.020 0.000 1.003 372 V HN -0.022 nan 8.190 nan 0.000 0.426 373 L N 5.539 126.694 121.223 -0.112 0.000 2.062 373 L HA 0.279 4.629 4.340 0.017 0.000 0.202 373 L C -0.965 175.832 176.870 -0.123 0.000 1.079 373 L CA 0.569 55.292 54.840 -0.195 0.000 0.755 373 L CB -0.312 41.556 42.059 -0.318 0.000 0.913 373 L HN 0.532 nan 8.230 nan 0.000 0.445 374 P HA -0.166 nan 4.420 nan 0.000 0.224 374 P C -0.852 176.435 177.300 -0.021 0.000 1.015 374 P CA 1.068 64.133 63.100 -0.057 0.000 0.910 374 P CB -0.269 31.410 31.700 -0.035 0.000 0.849 375 R N 3.412 123.904 120.500 -0.013 0.000 2.867 375 R HA 0.169 4.519 4.340 0.017 0.000 0.288 375 R C -0.777 175.559 176.300 0.061 0.000 1.360 375 R CA -0.533 55.590 56.100 0.039 0.000 1.042 375 R CB 0.365 30.715 30.300 0.084 0.000 1.287 375 R HN 0.360 nan 8.270 nan 0.000 0.404 376 N N 0.160 118.889 118.700 0.049 0.000 6.584 376 N HA -0.189 4.561 4.740 0.017 0.000 0.411 376 N C -1.174 174.366 175.510 0.051 0.000 0.981 376 N CA 1.469 54.553 53.050 0.057 0.000 1.762 376 N CB -0.419 38.117 38.487 0.082 0.000 0.760 376 N HN 0.560 nan 8.380 nan 0.000 0.447 377 T N 1.737 116.323 114.554 0.054 0.000 3.474 377 T HA 0.076 4.436 4.350 0.017 0.000 0.270 377 T C -0.933 173.822 174.700 0.092 0.000 1.079 377 T CA -0.201 61.933 62.100 0.057 0.000 1.110 377 T CB -1.014 67.883 68.868 0.048 0.000 1.087 377 T HN 0.315 nan 8.240 nan 0.000 0.784 378 D N 3.707 124.176 120.400 0.116 0.000 2.662 378 D HA -0.042 4.609 4.640 0.017 0.000 0.237 378 D C 1.029 177.452 176.300 0.205 0.000 1.154 378 D CA 0.103 54.238 54.000 0.225 0.000 0.861 378 D CB 0.830 41.782 40.800 0.253 0.000 1.146 378 D HN 0.364 nan 8.370 nan 0.000 0.518 379 L N 1.118 122.453 121.223 0.187 0.000 2.240 379 L HA -0.055 4.295 4.340 0.017 0.000 0.166 379 L C 1.739 178.708 176.870 0.164 0.000 0.893 379 L CA 0.478 55.404 54.840 0.144 0.000 1.058 379 L CB -0.180 41.948 42.059 0.115 0.000 1.371 379 L HN 0.438 nan 8.230 nan 0.000 0.480 380 T N -1.086 113.559 114.554 0.153 0.000 2.698 380 T HA 0.347 4.707 4.350 0.017 0.000 0.295 380 T C -0.704 174.089 174.700 0.156 0.000 1.007 380 T CA -0.464 61.747 62.100 0.184 0.000 0.980 380 T CB 0.691 69.687 68.868 0.213 0.000 1.036 380 T HN 0.214 nan 8.240 nan 0.000 0.526 381 V N 3.128 123.166 119.914 0.208 0.000 2.752 381 V HA 0.592 4.722 4.120 0.017 0.000 0.302 381 V C -1.171 175.128 176.094 0.341 0.000 1.133 381 V CA -0.801 61.555 62.300 0.093 0.000 0.919 381 V CB 1.471 33.242 31.823 -0.088 0.000 1.026 381 V HN 0.850 nan 8.190 nan 0.000 0.429 382 F N 3.854 123.886 119.950 0.137 0.000 2.603 382 F HA 0.928 5.465 4.527 0.017 0.000 0.317 382 F C -0.927 174.832 175.800 -0.067 0.000 1.066 382 F CA -1.358 56.660 58.000 0.030 0.000 0.941 382 F CB 1.696 40.686 39.000 -0.016 0.000 1.291 382 F HN 0.154 nan 8.300 nan 0.000 0.472 383 V N 1.433 121.269 119.914 -0.129 0.000 2.407 383 V HA 0.315 4.445 4.120 0.017 0.000 0.278 383 V C -0.488 175.645 176.094 0.065 0.000 1.037 383 V CA -0.514 61.709 62.300 -0.130 0.000 0.900 383 V CB 1.237 32.850 31.823 -0.349 0.000 0.983 383 V HN 0.867 nan 8.190 nan 0.000 0.459 384 E N 3.622 123.925 120.200 0.172 0.000 2.145 384 E HA 0.665 5.026 4.350 0.017 0.000 0.270 384 E C -0.621 176.087 176.600 0.180 0.000 0.906 384 E CA -0.684 55.849 56.400 0.221 0.000 0.761 384 E CB 1.483 31.397 29.700 0.356 0.000 1.116 384 E HN 0.795 nan 8.360 nan 0.000 0.408 385 A N 5.497 128.420 122.820 0.173 0.000 2.277 385 A HA 0.368 4.698 4.320 0.017 0.000 0.318 385 A C -0.702 177.105 177.584 0.372 0.000 1.339 385 A CA -0.835 51.366 52.037 0.273 0.000 0.875 385 A CB 0.382 19.595 19.000 0.356 0.000 1.158 385 A HN 0.650 nan 8.150 nan 0.000 0.514 386 N N 2.202 121.054 118.700 0.253 0.000 2.456 386 N HA 0.374 5.124 4.740 0.017 0.000 0.288 386 N C -0.727 174.825 175.510 0.070 0.000 1.059 386 N CA -0.239 52.930 53.050 0.198 0.000 0.946 386 N CB 1.800 40.367 38.487 0.134 0.000 1.150 386 N HN 0.533 nan 8.380 nan 0.000 0.479 387 I N 2.228 122.785 120.570 -0.022 0.000 2.291 387 I HA 0.144 4.324 4.170 0.017 0.000 0.290 387 I C 0.357 176.427 176.117 -0.078 0.000 1.050 387 I CA -0.192 60.994 61.300 -0.190 0.000 1.245 387 I CB 0.514 38.266 38.000 -0.414 0.000 1.405 387 I HN 0.234 nan 8.210 nan 0.000 0.478 388 Q N 5.183 124.946 119.800 -0.062 0.000 2.266 388 Q HA 0.441 4.791 4.340 0.017 0.000 0.261 388 Q C -0.748 175.254 176.000 0.004 0.000 0.985 388 Q CA -0.629 55.161 55.803 -0.021 0.000 0.873 388 Q CB 2.865 31.587 28.738 -0.026 0.000 1.306 388 Q HN 0.506 nan 8.270 nan 0.000 0.447 389 H N -0.090 118.911 119.070 -0.115 0.000 3.277 389 H HA 0.206 4.772 4.556 0.017 0.000 0.329 389 H C -0.109 175.092 175.328 -0.212 0.000 1.034 389 H CA 0.663 56.608 56.048 -0.171 0.000 1.530 389 H CB 1.121 30.791 29.762 -0.154 0.000 1.837 389 H HN 0.948 nan 8.280 nan 0.000 0.493 390 G N 4.149 112.678 108.800 -0.453 0.000 2.295 390 G HA2 -0.347 3.623 3.960 0.017 0.000 0.287 390 G HA3 -0.347 3.623 3.960 0.017 0.000 0.287 390 G C 0.505 175.258 174.900 -0.245 0.000 1.055 390 G CA 1.287 46.152 45.100 -0.392 0.000 0.922 390 G HN 0.852 nan 8.290 nan 0.000 0.503 391 Q N -2.316 117.385 119.800 -0.164 0.000 2.305 391 Q HA -0.269 4.082 4.340 0.017 0.000 0.203 391 Q C 0.663 176.622 176.000 -0.069 0.000 0.663 391 Q CA 2.608 58.349 55.803 -0.104 0.000 1.389 391 Q CB -1.058 27.603 28.738 -0.128 0.000 1.566 391 Q HN 1.178 nan 8.270 nan 0.000 0.755 392 Q N 0.682 120.446 119.800 -0.060 0.000 2.322 392 Q HA 0.459 4.809 4.340 0.017 0.000 0.256 392 Q C -0.322 175.688 176.000 0.017 0.000 0.960 392 Q CA -0.070 55.726 55.803 -0.012 0.000 0.934 392 Q CB 1.055 29.803 28.738 0.017 0.000 1.200 392 Q HN 0.306 nan 8.270 nan 0.000 0.435 393 V N 3.833 123.761 119.914 0.023 0.000 2.415 393 V HA 0.100 4.230 4.120 0.017 0.000 0.267 393 V C 0.891 177.008 176.094 0.038 0.000 1.042 393 V CA -0.022 62.300 62.300 0.037 0.000 1.000 393 V CB 0.140 31.996 31.823 0.056 0.000 1.015 393 V HN 0.956 nan 8.190 nan 0.000 0.478 394 L N 3.081 124.323 121.223 0.030 0.000 2.179 394 L HA 0.202 4.552 4.340 0.017 0.000 0.208 394 L C 1.075 177.972 176.870 0.046 0.000 1.096 394 L CA 1.049 55.901 54.840 0.021 0.000 0.779 394 L CB 0.109 42.161 42.059 -0.012 0.000 0.922 394 L HN 0.803 nan 8.230 nan 0.000 0.443 395 C N -0.974 118.377 119.300 0.084 0.000 3.171 395 C HA 0.423 4.893 4.460 0.017 0.000 0.336 395 C C -1.337 173.817 174.990 0.272 0.000 1.198 395 C CA -0.673 58.457 59.018 0.186 0.000 1.319 395 C CB 1.881 29.791 27.740 0.284 0.000 1.682 395 C HN 0.363 nan 8.230 nan 0.000 0.497 396 Q N 3.784 123.727 119.800 0.239 0.000 2.271 396 Q HA 0.654 5.004 4.340 0.017 0.000 0.268 396 Q C -1.300 174.727 176.000 0.046 0.000 1.021 396 Q CA -0.565 55.351 55.803 0.188 0.000 0.802 396 Q CB 1.306 30.106 28.738 0.103 0.000 1.282 396 Q HN 0.695 nan 8.270 nan 0.000 0.431 397 R N 2.393 122.874 120.500 -0.032 0.000 2.744 397 R HA 0.606 4.956 4.340 0.017 0.000 0.279 397 R C -0.791 175.435 176.300 -0.122 0.000 0.977 397 R CA -0.594 55.382 56.100 -0.208 0.000 0.906 397 R CB 1.923 31.892 30.300 -0.552 0.000 1.197 397 R HN 0.716 nan 8.270 nan 0.000 0.463 398 R N -0.047 120.365 120.500 -0.147 0.000 2.873 398 R HA 0.515 4.865 4.340 0.017 0.000 0.264 398 R C 0.083 176.258 176.300 -0.208 0.000 1.026 398 R CA -0.867 55.155 56.100 -0.131 0.000 1.002 398 R CB 1.416 31.601 30.300 -0.191 0.000 1.174 398 R HN 0.717 nan 8.270 nan 0.000 0.488 399 T N -1.671 112.718 114.554 -0.274 0.000 2.847 399 T HA 0.189 4.550 4.350 0.017 0.000 0.279 399 T C 0.634 175.208 174.700 -0.210 0.000 0.984 399 T CA -0.859 60.976 62.100 -0.441 0.000 0.988 399 T CB 1.051 69.178 68.868 -1.235 0.000 1.040 399 T HN 0.615 nan 8.240 nan 0.000 0.528 400 S N 1.422 117.097 115.700 -0.042 0.000 2.562 400 S HA 0.297 4.777 4.470 0.017 0.000 0.281 400 S C -2.448 172.350 174.600 0.330 0.000 1.333 400 S CA -1.147 57.135 58.200 0.138 0.000 1.052 400 S CB -0.311 63.026 63.200 0.228 0.000 0.884 400 S HN 0.740 nan 8.310 nan 0.000 0.506 401 P HA 0.332 nan 4.420 nan 0.000 0.276 401 P C -0.807 176.693 177.300 0.333 0.000 1.243 401 P CA -0.279 63.019 63.100 0.330 0.000 0.768 401 P CB 0.494 32.308 31.700 0.190 0.000 0.856 402 K N 3.709 124.344 120.400 0.391 0.000 2.444 402 K HA 0.557 4.888 4.320 0.017 0.000 0.252 402 K C -2.607 174.089 176.600 0.160 0.000 0.993 402 K CA -2.480 53.917 56.287 0.183 0.000 0.847 402 K CB 1.534 34.009 32.500 -0.041 0.000 1.340 402 K HN 0.194 nan 8.250 nan 0.000 0.446 403 P HA -0.057 nan 4.420 nan 0.000 0.267 403 P C -0.876 176.538 177.300 0.191 0.000 1.200 403 P CA -0.032 63.139 63.100 0.118 0.000 0.772 403 P CB 0.264 31.995 31.700 0.051 0.000 0.855 404 F N 3.542 123.510 119.950 0.030 0.000 2.425 404 F HA 0.226 4.763 4.527 0.018 0.000 0.354 404 F C 0.304 176.104 175.800 0.000 0.000 1.162 404 F CA -0.619 57.398 58.000 0.028 0.000 1.250 404 F CB -0.971 38.065 39.000 0.060 0.000 1.579 404 F HN 0.145 nan 8.300 nan 0.000 0.589 405 T N 0.806 115.346 114.554 -0.024 0.000 2.897 405 T HA 0.240 4.600 4.350 0.017 0.000 0.278 405 T C 1.047 175.603 174.700 -0.239 0.000 0.981 405 T CA -0.670 61.327 62.100 -0.172 0.000 0.973 405 T CB 1.068 69.876 68.868 -0.099 0.000 1.092 405 T HN 0.489 nan 8.240 nan 0.000 0.543 406 E N -0.187 119.880 120.200 -0.223 0.000 2.515 406 E HA -0.063 4.297 4.350 0.017 0.000 0.201 406 E C 0.277 176.816 176.600 -0.101 0.000 1.071 406 E CA 0.575 56.868 56.400 -0.178 0.000 0.880 406 E CB 0.097 29.711 29.700 -0.144 0.000 0.828 406 E HN 0.820 nan 8.360 nan 0.000 0.540 407 E N 0.649 120.798 120.200 -0.085 0.000 2.334 407 E HA 0.294 4.654 4.350 0.017 0.000 0.280 407 E C -1.748 174.795 176.600 -0.094 0.000 0.899 407 E CA -0.348 56.009 56.400 -0.072 0.000 0.813 407 E CB 1.910 31.565 29.700 -0.076 0.000 1.318 407 E HN -0.086 nan 8.360 nan 0.000 0.399 408 V N 4.954 124.808 119.914 -0.100 0.000 2.628 408 V HA 0.618 4.748 4.120 0.017 0.000 0.306 408 V C 0.012 175.889 176.094 -0.361 0.000 1.045 408 V CA -0.657 61.480 62.300 -0.272 0.000 0.905 408 V CB 1.799 33.457 31.823 -0.275 0.000 0.997 408 V HN 0.615 nan 8.190 nan 0.000 0.436 409 L N 1.525 122.394 121.223 -0.589 0.000 2.277 409 L HA 0.613 4.964 4.340 0.017 0.000 0.254 409 L C -0.070 176.433 176.870 -0.612 0.000 1.044 409 L CA -0.304 54.308 54.840 -0.381 0.000 0.842 409 L CB 2.885 44.821 42.059 -0.206 0.000 1.422 409 L HN 0.666 nan 8.230 nan 0.000 0.422 410 W N -0.816 120.467 121.300 -0.029 0.000 4.740 410 W HA 0.027 4.698 4.660 0.018 0.000 0.160 410 W C 0.721 177.208 176.519 -0.054 0.000 1.012 410 W CA 0.283 57.610 57.345 -0.030 0.000 1.686 410 W CB 0.152 29.598 29.460 -0.024 0.000 0.528 410 W HN 0.718 nan 8.180 nan 0.000 1.041 411 N N 1.007 119.800 118.700 0.154 0.000 2.708 411 N HA -0.174 4.577 4.740 0.017 0.000 0.251 411 N C -0.771 174.703 175.510 -0.059 0.000 1.123 411 N CA 0.972 54.020 53.050 -0.002 0.000 0.739 411 N CB -1.294 37.184 38.487 -0.016 0.000 1.113 411 N HN -0.154 nan 8.380 nan 0.000 0.561 412 V N 0.524 120.442 119.914 0.006 0.000 2.498 412 V HA 0.268 4.398 4.120 0.017 0.000 0.279 412 V C 0.822 176.846 176.094 -0.117 0.000 1.048 412 V CA -0.520 61.773 62.300 -0.011 0.000 0.967 412 V CB 0.424 32.266 31.823 0.032 0.000 0.988 412 V HN 0.206 nan 8.190 nan 0.000 0.473 413 W N 4.822 126.117 121.300 -0.008 0.000 2.304 413 W HA 0.474 5.144 4.660 0.017 0.000 0.313 413 W C -0.058 176.414 176.519 -0.078 0.000 1.323 413 W CA -0.380 56.941 57.345 -0.039 0.000 1.223 413 W CB 0.522 29.959 29.460 -0.039 0.000 1.237 413 W HN 0.399 nan 8.180 nan 0.000 0.535 414 L N 3.814 125.119 121.223 0.138 0.000 2.265 414 L HA 0.294 4.645 4.340 0.017 0.000 0.289 414 L C 0.266 177.080 176.870 -0.094 0.000 1.033 414 L CA -0.683 54.118 54.840 -0.064 0.000 0.814 414 L CB 0.993 42.925 42.059 -0.212 0.000 1.203 414 L HN 0.410 nan 8.230 nan 0.000 0.423 415 E N 2.752 122.884 120.200 -0.115 0.000 2.259 415 E HA 0.379 4.739 4.350 0.017 0.000 0.281 415 E C -1.200 175.314 176.600 -0.144 0.000 1.027 415 E CA -0.524 55.839 56.400 -0.061 0.000 0.838 415 E CB 0.943 30.625 29.700 -0.029 0.000 1.066 415 E HN 0.272 nan 8.360 nan 0.000 0.401 416 F N 1.255 121.267 119.950 0.103 0.000 2.440 416 F HA 0.105 4.642 4.527 0.016 0.000 0.328 416 F C 1.770 177.623 175.800 0.088 0.000 1.070 416 F CA -0.240 57.839 58.000 0.131 0.000 1.011 416 F CB 1.687 40.841 39.000 0.257 0.000 1.226 416 F HN 0.576 nan 8.300 nan 0.000 0.491 417 S N 0.488 116.349 115.700 0.268 0.000 2.428 417 S HA -0.009 4.471 4.470 0.017 0.000 0.230 417 S C 0.503 175.183 174.600 0.133 0.000 1.014 417 S CA 0.316 58.604 58.200 0.146 0.000 0.957 417 S CB -0.806 62.452 63.200 0.098 0.000 0.784 417 S HN 0.362 nan 8.310 nan 0.000 0.499 418 I N 1.887 122.556 120.570 0.165 0.000 2.696 418 I HA 0.297 4.477 4.170 0.017 0.000 0.284 418 I C 0.492 176.677 176.117 0.113 0.000 1.129 418 I CA -0.344 61.010 61.300 0.090 0.000 1.410 418 I CB 0.286 38.296 38.000 0.017 0.000 1.399 418 I HN -0.050 nan 8.210 nan 0.000 0.579 419 K N 3.345 123.783 120.400 0.063 0.000 2.098 419 K HA 0.365 4.695 4.320 0.017 0.000 0.244 419 K C 0.864 177.506 176.600 0.070 0.000 1.014 419 K CA -0.764 55.565 56.287 0.070 0.000 0.917 419 K CB 0.885 33.406 32.500 0.034 0.000 1.072 419 K HN 0.451 nan 8.250 nan 0.000 0.477 420 I N 1.257 121.881 120.570 0.090 0.000 2.286 420 I HA -0.165 4.015 4.170 0.017 0.000 0.245 420 I C 1.824 177.968 176.117 0.045 0.000 1.104 420 I CA 1.478 62.837 61.300 0.099 0.000 1.397 420 I CB -0.543 37.529 38.000 0.122 0.000 1.072 420 I HN 0.539 nan 8.210 nan 0.000 0.417 421 K N 0.983 121.402 120.400 0.032 0.000 2.362 421 K HA -0.112 4.219 4.320 0.017 0.000 0.200 421 K C 1.364 177.964 176.600 -0.001 0.000 1.046 421 K CA 0.752 57.050 56.287 0.018 0.000 0.952 421 K CB -0.185 32.322 32.500 0.012 0.000 0.753 421 K HN 0.203 nan 8.250 nan 0.000 0.466 422 D N -0.123 120.270 120.400 -0.012 0.000 2.355 422 D HA -0.007 4.643 4.640 0.017 0.000 0.218 422 D C -0.144 176.122 176.300 -0.057 0.000 1.004 422 D CA 0.232 54.209 54.000 -0.037 0.000 0.880 422 D CB 0.176 40.955 40.800 -0.036 0.000 0.911 422 D HN 0.164 nan 8.370 nan 0.000 0.528 423 L N 3.182 124.370 121.223 -0.059 0.000 2.410 423 L HA 0.175 4.525 4.340 0.017 0.000 0.273 423 L C -1.914 174.932 176.870 -0.040 0.000 1.144 423 L CA -1.282 53.504 54.840 -0.090 0.000 0.863 423 L CB 0.224 42.206 42.059 -0.127 0.000 1.140 423 L HN -0.172 nan 8.230 nan 0.000 0.463 424 P HA 0.172 nan 4.420 nan 0.000 0.282 424 P C -0.953 176.396 177.300 0.082 0.000 1.259 424 P CA -0.856 62.251 63.100 0.012 0.000 0.826 424 P CB 1.038 32.679 31.700 -0.099 0.000 1.064 425 K N 0.444 120.938 120.400 0.157 0.000 2.401 425 K HA 0.283 4.614 4.320 0.017 0.000 0.278 425 K C 1.042 177.768 176.600 0.211 0.000 1.018 425 K CA 1.082 57.477 56.287 0.181 0.000 0.981 425 K CB -0.430 32.179 32.500 0.182 0.000 0.933 425 K HN 0.839 nan 8.250 nan 0.000 0.477 426 G N 1.830 110.725 108.800 0.158 0.000 2.195 426 G HA2 -0.253 3.717 3.960 0.017 0.000 0.224 426 G HA3 -0.253 3.717 3.960 0.017 0.000 0.224 426 G C 0.079 174.938 174.900 -0.069 0.000 0.990 426 G CA -0.033 45.050 45.100 -0.028 0.000 0.639 426 G HN 0.884 nan 8.290 nan 0.000 0.514 427 A N 0.526 123.377 122.820 0.052 0.000 2.511 427 A HA 0.606 4.937 4.320 0.017 0.000 0.242 427 A C 0.402 177.916 177.584 -0.117 0.000 1.069 427 A CA 0.498 52.531 52.037 -0.006 0.000 0.763 427 A CB 0.230 19.191 19.000 -0.065 0.000 1.001 427 A HN 0.902 nan 8.150 nan 0.000 0.498 428 L N 2.595 123.744 121.223 -0.124 0.000 2.322 428 L HA 0.340 4.691 4.340 0.017 0.000 0.281 428 L C -0.385 176.409 176.870 -0.128 0.000 1.014 428 L CA -0.931 53.834 54.840 -0.125 0.000 0.815 428 L CB 1.675 43.674 42.059 -0.099 0.000 1.247 428 L HN 0.714 nan 8.230 nan 0.000 0.421 429 L N 5.166 126.314 121.223 -0.125 0.000 2.342 429 L HA 0.235 4.586 4.340 0.017 0.000 0.285 429 L C 0.049 176.913 176.870 -0.010 0.000 1.095 429 L CA 0.505 55.292 54.840 -0.087 0.000 0.843 429 L CB 0.172 42.197 42.059 -0.057 0.000 1.201 429 L HN 0.564 nan 8.230 nan 0.000 0.445 430 N N 6.307 125.022 118.700 0.026 0.000 2.437 430 N HA 0.333 5.084 4.740 0.017 0.000 0.259 430 N C -1.574 174.005 175.510 0.116 0.000 0.983 430 N CA -0.539 52.555 53.050 0.074 0.000 0.937 430 N CB 0.815 39.342 38.487 0.066 0.000 1.122 430 N HN 0.636 nan 8.380 nan 0.000 0.499 431 L N 3.184 124.481 121.223 0.123 0.000 2.319 431 L HA 0.412 4.762 4.340 0.017 0.000 0.281 431 L C -0.366 176.583 176.870 0.131 0.000 1.005 431 L CA -0.588 54.323 54.840 0.119 0.000 0.828 431 L CB 1.802 43.910 42.059 0.082 0.000 1.227 431 L HN 0.441 nan 8.230 nan 0.000 0.415 432 Q N 4.080 123.956 119.800 0.127 0.000 2.394 432 Q HA 0.634 4.984 4.340 0.017 0.000 0.273 432 Q C -1.150 174.863 176.000 0.022 0.000 1.089 432 Q CA -0.779 55.076 55.803 0.086 0.000 0.812 432 Q CB 3.519 32.304 28.738 0.079 0.000 1.353 432 Q HN 0.529 nan 8.270 nan 0.000 0.438 433 I N 2.272 122.792 120.570 -0.084 0.000 2.382 433 I HA 0.362 4.542 4.170 0.017 0.000 0.286 433 I C -1.132 174.780 176.117 -0.341 0.000 1.002 433 I CA -0.518 60.703 61.300 -0.132 0.000 1.135 433 I CB 0.733 38.727 38.000 -0.010 0.000 1.288 433 I HN 0.534 nan 8.210 nan 0.000 0.448 434 Y N 4.906 124.891 120.300 -0.525 0.000 2.602 434 Y HA 0.718 5.278 4.550 0.017 0.000 0.330 434 Y C 0.459 176.014 175.900 -0.576 0.000 1.114 434 Y CA -0.412 57.333 58.100 -0.592 0.000 1.182 434 Y CB 1.813 39.739 38.460 -0.889 0.000 1.305 434 Y HN 0.681 nan 8.280 nan 0.000 0.502 461 L N 3.783 124.777 121.223 -0.381 0.000 2.948 461 L HA 0.400 4.751 4.340 0.017 0.000 0.259 461 L C -0.910 175.556 176.870 -0.674 0.000 1.136 461 L CA 0.005 54.565 54.840 -0.466 0.000 0.959 461 L CB 0.749 42.526 42.059 -0.469 0.000 1.370 461 L HN 0.558 nan 8.230 nan 0.000 0.552 462 Y N -0.576 119.665 120.300 -0.098 0.000 2.534 462 Y HA 0.493 5.054 4.550 0.017 0.000 0.345 462 Y C -0.811 175.121 175.900 0.053 0.000 1.031 462 Y CA -1.344 56.731 58.100 -0.041 0.000 1.022 462 Y CB 1.751 40.163 38.460 -0.080 0.000 1.292 462 Y HN -0.009 nan 8.280 nan 0.000 0.459 463 Y N -0.387 120.013 120.300 0.167 0.000 2.544 463 Y HA 0.899 5.460 4.550 0.018 0.000 0.342 463 Y C -2.038 173.983 175.900 0.201 0.000 1.062 463 Y CA -1.404 56.775 58.100 0.132 0.000 1.023 463 Y CB 1.456 39.970 38.460 0.089 0.000 1.308 463 Y HN 0.565 nan 8.280 nan 0.000 0.457 464 V N 2.504 122.576 119.914 0.263 0.000 3.188 464 V HA 0.574 4.704 4.120 0.017 0.000 0.305 464 V C -1.714 174.504 176.094 0.206 0.000 1.232 464 V CA -0.894 61.538 62.300 0.220 0.000 1.043 464 V CB 2.647 34.501 31.823 0.051 0.000 1.068 464 V HN 0.982 nan 8.190 nan 0.000 0.439 465 N N 2.602 121.409 118.700 0.178 0.000 2.225 465 N HA 0.664 5.414 4.740 0.017 0.000 0.298 465 N C -1.778 173.759 175.510 0.046 0.000 1.076 465 N CA -0.367 52.742 53.050 0.099 0.000 0.792 465 N CB 2.624 41.167 38.487 0.093 0.000 1.498 465 N HN 0.525 nan 8.380 nan 0.000 0.474 466 L N 1.594 122.805 121.223 -0.020 0.000 2.409 466 L HA 0.515 4.866 4.340 0.017 0.000 0.272 466 L C -1.210 175.602 176.870 -0.096 0.000 0.980 466 L CA -0.525 54.272 54.840 -0.072 0.000 0.826 466 L CB 1.464 43.399 42.059 -0.206 0.000 1.268 466 L HN 0.450 nan 8.230 nan 0.000 0.407 467 L N 5.746 126.917 121.223 -0.087 0.000 2.462 467 L HA 0.115 4.466 4.340 0.017 0.000 0.272 467 L C 1.247 178.068 176.870 -0.082 0.000 1.166 467 L CA 0.081 54.851 54.840 -0.115 0.000 0.880 467 L CB 0.695 42.667 42.059 -0.146 0.000 1.142 467 L HN 0.789 nan 8.230 nan 0.000 0.473 468 L N 4.364 125.527 121.223 -0.100 0.000 2.109 468 L HA 0.023 4.374 4.340 0.017 0.000 0.207 468 L C 0.570 177.433 176.870 -0.012 0.000 1.086 468 L CA 1.130 55.917 54.840 -0.089 0.000 0.760 468 L CB 0.054 41.987 42.059 -0.210 0.000 0.910 468 L HN 0.522 nan 8.230 nan 0.000 0.437 469 I N 0.272 120.852 120.570 0.017 0.000 2.378 469 I HA 0.113 4.293 4.170 0.017 0.000 0.291 469 I C -0.312 175.894 176.117 0.147 0.000 0.992 469 I CA -0.881 60.462 61.300 0.071 0.000 1.154 469 I CB 1.572 39.618 38.000 0.076 0.000 1.315 469 I HN 0.059 nan 8.210 nan 0.000 0.448 470 D N 4.666 125.115 120.400 0.081 0.000 2.478 470 D HA 0.015 4.666 4.640 0.017 0.000 0.274 470 D C 1.101 177.339 176.300 -0.102 0.000 1.234 470 D CA -0.014 54.058 54.000 0.120 0.000 1.069 470 D CB 0.221 41.014 40.800 -0.012 0.000 1.113 470 D HN 0.604 nan 8.370 nan 0.000 0.571 471 H N -1.169 117.754 119.070 -0.246 0.000 2.559 471 H HA 0.150 4.716 4.556 0.017 0.000 0.273 471 H C 0.729 175.744 175.328 -0.521 0.000 1.000 471 H CA 0.382 56.115 56.048 -0.524 0.000 1.195 471 H CB -0.213 29.293 29.762 -0.427 0.000 1.368 471 H HN 0.314 nan 8.280 nan 0.000 0.592 472 R N -0.212 119.919 120.500 -0.614 0.000 2.507 472 R HA 0.122 4.473 4.340 0.017 0.000 0.298 472 R C -0.487 175.881 176.300 0.113 0.000 0.999 472 R CA -0.387 55.568 56.100 -0.241 0.000 1.082 472 R CB 0.041 30.141 30.300 -0.334 0.000 1.246 472 R HN 0.065 nan 8.270 nan 0.000 0.553 473 F N -0.349 119.513 119.950 -0.147 0.000 3.057 473 F HA -0.275 4.262 4.527 0.017 0.000 0.287 473 F C -0.227 175.556 175.800 -0.028 0.000 0.834 473 F CA 0.348 58.314 58.000 -0.057 0.000 1.147 473 F CB -1.822 37.161 39.000 -0.027 0.000 1.245 473 F HN 0.059 nan 8.300 nan 0.000 0.509 474 L N 0.773 122.029 121.223 0.056 0.000 2.322 474 L HA 0.515 4.865 4.340 0.017 0.000 0.279 474 L C 0.320 177.233 176.870 0.072 0.000 1.036 474 L CA -1.293 53.581 54.840 0.055 0.000 0.807 474 L CB 1.269 43.318 42.059 -0.016 0.000 1.226 474 L HN 0.023 nan 8.230 nan 0.000 0.433 475 L N 3.648 124.942 121.223 0.117 0.000 2.513 475 L HA 0.117 4.468 4.340 0.017 0.000 0.272 475 L C 0.456 177.410 176.870 0.140 0.000 1.187 475 L CA 0.402 55.324 54.840 0.136 0.000 0.895 475 L CB 0.251 42.418 42.059 0.180 0.000 1.147 475 L HN 0.529 nan 8.230 nan 0.000 0.483 476 R N 4.953 125.536 120.500 0.137 0.000 2.316 476 R HA 0.351 4.701 4.340 0.017 0.000 0.314 476 R C -0.503 175.936 176.300 0.232 0.000 1.069 476 R CA -0.126 56.071 56.100 0.162 0.000 0.959 476 R CB 0.291 30.650 30.300 0.098 0.000 0.987 476 R HN 0.783 nan 8.270 nan 0.000 0.446 477 R N 2.577 123.226 120.500 0.248 0.000 2.803 477 R HA 0.620 4.970 4.340 0.017 0.000 0.276 477 R C -0.694 175.735 176.300 0.215 0.000 0.978 477 R CA 0.336 56.575 56.100 0.232 0.000 0.939 477 R CB 2.042 32.443 30.300 0.169 0.000 1.179 477 R HN 0.898 nan 8.270 nan 0.000 0.472 478 G N 1.555 110.451 108.800 0.161 0.000 2.500 478 G HA2 -0.156 3.814 3.960 0.017 0.000 0.209 478 G HA3 -0.156 3.814 3.960 0.017 0.000 0.209 478 G C -1.326 173.514 174.900 -0.100 0.000 1.283 478 G CA -0.839 44.261 45.100 -0.001 0.000 0.960 478 G HN 0.480 nan 8.290 nan 0.000 0.528 479 E N -0.113 119.906 120.200 -0.302 0.000 2.331 479 E HA 0.593 4.953 4.350 0.017 0.000 0.272 479 E C -1.044 175.154 176.600 -0.670 0.000 1.036 479 E CA 0.169 56.393 56.400 -0.293 0.000 0.864 479 E CB 1.217 30.799 29.700 -0.197 0.000 1.035 479 E HN 0.411 nan 8.360 nan 0.000 0.408 480 Y N -0.443 119.828 120.300 -0.049 0.000 2.433 480 Y HA 0.266 4.827 4.550 0.018 0.000 0.337 480 Y C -0.374 175.489 175.900 -0.062 0.000 1.026 480 Y CA -0.921 57.133 58.100 -0.078 0.000 1.037 480 Y CB 1.878 40.258 38.460 -0.133 0.000 1.245 480 Y HN 0.083 nan 8.280 nan 0.000 0.443 481 V N 5.433 125.399 119.914 0.087 0.000 2.304 481 V HA 0.394 4.524 4.120 0.017 0.000 0.278 481 V C -0.550 175.580 176.094 0.060 0.000 1.018 481 V CA -0.661 61.662 62.300 0.038 0.000 0.814 481 V CB 0.768 32.604 31.823 0.023 0.000 1.021 481 V HN 0.563 nan 8.190 nan 0.000 0.440 482 L N 4.835 126.052 121.223 -0.009 0.000 2.287 482 L HA 0.546 4.897 4.340 0.017 0.000 0.287 482 L C 0.133 176.913 176.870 -0.150 0.000 1.022 482 L CA -0.512 54.324 54.840 -0.006 0.000 0.814 482 L CB 0.963 43.018 42.059 -0.007 0.000 1.217 482 L HN 0.557 nan 8.230 nan 0.000 0.420 483 H N 4.675 123.665 119.070 -0.133 0.000 2.690 483 H HA 0.384 4.951 4.556 0.017 0.000 0.314 483 H C -0.309 174.777 175.328 -0.404 0.000 1.069 483 H CA -0.047 55.860 56.048 -0.236 0.000 1.436 483 H CB 1.464 31.081 29.762 -0.241 0.000 1.462 483 H HN 0.489 nan 8.280 nan 0.000 0.511 484 M N 2.130 121.543 119.600 -0.312 0.000 2.613 484 M HA 0.244 4.734 4.480 0.017 0.000 0.301 484 M C -0.574 175.431 176.300 -0.492 0.000 1.205 484 M CA -0.643 54.434 55.300 -0.371 0.000 0.950 484 M CB 1.557 34.069 32.600 -0.146 0.000 1.585 484 M HN 0.439 nan 8.290 nan 0.000 0.490 485 W N 0.353 121.453 121.300 -0.333 0.000 2.448 485 W HA 0.479 5.150 4.660 0.017 0.000 0.339 485 W C -0.100 176.225 176.519 -0.324 0.000 1.124 485 W CA -0.385 56.703 57.345 -0.430 0.000 1.262 485 W CB 0.672 29.640 29.460 -0.819 0.000 1.251 485 W HN 0.430 nan 8.180 nan 0.000 0.597 486 Q N 1.910 121.759 119.800 0.082 0.000 2.256 486 Q HA 0.386 4.736 4.340 0.017 0.000 0.257 486 Q C -0.823 175.180 176.000 0.005 0.000 0.936 486 Q CA -1.079 54.679 55.803 -0.075 0.000 0.903 486 Q CB 1.748 30.450 28.738 -0.060 0.000 1.263 486 Q HN 0.461 nan 8.270 nan 0.000 0.440 487 I N 1.703 122.229 120.570 -0.074 0.000 2.696 487 I HA 0.033 4.213 4.170 0.017 0.000 0.284 487 I C 0.167 176.263 176.117 -0.035 0.000 1.129 487 I CA 0.900 62.201 61.300 0.002 0.000 1.410 487 I CB 1.439 39.394 38.000 -0.075 0.000 1.399 487 I HN 0.514 nan 8.210 nan 0.000 0.579 488 S N 4.130 119.827 115.700 -0.004 0.000 2.690 488 S HA 0.882 5.362 4.470 0.017 0.000 0.291 488 S C -0.143 174.446 174.600 -0.019 0.000 1.138 488 S CA 0.312 58.509 58.200 -0.004 0.000 1.013 488 S CB 0.827 64.038 63.200 0.018 0.000 1.053 488 S HN 1.374 nan 8.310 nan 0.000 0.539 498 N N 0.694 119.484 118.700 0.149 0.000 2.571 498 N HA 0.574 5.325 4.740 0.017 0.000 0.273 498 N C 0.164 175.706 175.510 0.054 0.000 1.340 498 N CA 0.055 53.145 53.050 0.066 0.000 0.789 498 N CB 1.307 39.802 38.487 0.013 0.000 1.514 498 N HN 0.251 nan 8.380 nan 0.000 0.499 499 A N 0.018 122.875 122.820 0.062 0.000 2.015 499 A HA -0.100 4.231 4.320 0.017 0.000 0.219 499 A C 1.204 178.827 177.584 0.066 0.000 1.163 499 A CA 1.474 53.548 52.037 0.061 0.000 0.646 499 A CB -0.706 18.192 19.000 -0.170 0.000 0.806 499 A HN 0.740 nan 8.150 nan 0.000 0.448 500 D N 0.224 120.580 120.400 -0.072 0.000 2.117 500 D HA -0.128 4.522 4.640 0.017 0.000 0.197 500 D C 1.598 177.839 176.300 -0.099 0.000 0.987 500 D CA 1.206 55.051 54.000 -0.259 0.000 0.829 500 D CB -0.319 40.039 40.800 -0.736 0.000 0.961 500 D HN 0.455 nan 8.370 nan 0.000 0.460 501 K N 0.040 120.315 120.400 -0.208 0.000 2.520 501 K HA -0.068 4.262 4.320 0.017 0.000 0.197 501 K C 1.518 178.065 176.600 -0.088 0.000 1.044 501 K CA 0.378 56.432 56.287 -0.389 0.000 0.938 501 K CB 0.064 32.303 32.500 -0.435 0.000 0.767 501 K HN 0.229 nan 8.250 nan 0.000 0.481 502 L N -0.439 120.800 121.223 0.026 0.000 2.664 502 L HA 0.052 4.402 4.340 0.017 0.000 0.233 502 L C 0.964 177.876 176.870 0.071 0.000 1.113 502 L CA -0.194 54.684 54.840 0.063 0.000 0.896 502 L CB 0.617 42.738 42.059 0.103 0.000 1.163 502 L HN -0.035 nan 8.230 nan 0.000 0.497 503 T N -0.475 114.098 114.554 0.032 0.000 2.901 503 T HA 0.009 4.369 4.350 0.017 0.000 0.301 503 T C 1.336 176.035 174.700 -0.001 0.000 1.012 503 T CA 0.241 62.270 62.100 -0.119 0.000 1.135 503 T CB 1.018 69.536 68.868 -0.583 0.000 0.936 503 T HN 0.331 nan 8.240 nan 0.000 0.539 504 S N 3.281 118.962 115.700 -0.032 0.000 2.603 504 S HA 0.281 4.761 4.470 0.017 0.000 0.220 504 S C 0.915 175.555 174.600 0.067 0.000 0.967 504 S CA -0.100 58.100 58.200 -0.000 0.000 0.920 504 S CB -0.112 63.028 63.200 -0.101 0.000 0.773 504 S HN 0.906 nan 8.310 nan 0.000 0.529 505 A N 2.729 125.593 122.820 0.072 0.000 2.409 505 A HA 0.527 4.857 4.320 0.017 0.000 0.262 505 A C 0.737 178.500 177.584 0.298 0.000 1.113 505 A CA -0.187 51.933 52.037 0.139 0.000 0.790 505 A CB -0.026 19.027 19.000 0.089 0.000 1.046 505 A HN 0.556 nan 8.150 nan 0.000 0.496 506 T N 1.087 115.710 114.554 0.115 0.000 2.909 506 T HA 0.248 4.608 4.350 0.017 0.000 0.289 506 T C 0.327 174.779 174.700 -0.412 0.000 1.005 506 T CA -0.839 61.201 62.100 -0.100 0.000 1.084 506 T CB 0.464 69.323 68.868 -0.016 0.000 0.975 506 T HN 0.601 nan 8.240 nan 0.000 0.509 507 N N 3.099 121.134 118.700 -1.108 0.000 2.357 507 N HA 0.064 4.814 4.740 0.017 0.000 0.257 507 N C -1.546 173.667 175.510 -0.495 0.000 1.250 507 N CA -1.695 50.599 53.050 -1.260 0.000 0.862 507 N CB 1.105 38.880 38.487 -1.186 0.000 1.066 507 N HN 0.465 nan 8.380 nan 0.000 0.468 508 P HA 0.029 nan 4.420 nan 0.000 0.234 508 P C -0.109 177.075 177.300 -0.194 0.000 1.175 508 P CA 0.260 63.256 63.100 -0.174 0.000 0.801 508 P CB 0.193 31.870 31.700 -0.038 0.000 0.891 509 D N 1.251 121.538 120.400 -0.188 0.000 2.540 509 D HA -0.031 4.619 4.640 0.017 0.000 0.237 509 D C 0.945 177.106 176.300 -0.231 0.000 1.181 509 D CA 0.241 54.148 54.000 -0.155 0.000 1.119 509 D CB -0.211 40.534 40.800 -0.093 0.000 1.119 509 D HN 0.004 nan 8.370 nan 0.000 0.498 510 K N 1.259 121.457 120.400 -0.336 0.000 2.442 510 K HA -0.099 4.231 4.320 0.017 0.000 0.198 510 K C 1.428 177.874 176.600 -0.257 0.000 1.042 510 K CA 0.511 56.428 56.287 -0.617 0.000 0.958 510 K CB 0.442 32.576 32.500 -0.611 0.000 0.766 510 K HN 0.455 nan 8.250 nan 0.000 0.474 511 E N 0.543 120.666 120.200 -0.127 0.000 2.057 511 E HA -0.006 4.354 4.350 0.017 0.000 0.190 511 E C 1.398 177.992 176.600 -0.009 0.000 0.969 511 E CA 0.490 56.861 56.400 -0.049 0.000 0.812 511 E CB 0.322 29.994 29.700 -0.047 0.000 0.777 511 E HN 0.289 nan 8.360 nan 0.000 0.455 512 N N 0.471 119.165 118.700 -0.009 0.000 2.415 512 N HA -0.037 4.713 4.740 0.017 0.000 0.176 512 N C 0.414 175.944 175.510 0.033 0.000 1.042 512 N CA 0.271 53.329 53.050 0.013 0.000 0.902 512 N CB 0.468 38.965 38.487 0.017 0.000 0.986 512 N HN 0.016 nan 8.380 nan 0.000 0.447 513 S N 0.796 116.521 115.700 0.041 0.000 2.586 513 S HA 0.333 4.813 4.470 0.017 0.000 0.274 513 S C 0.098 174.706 174.600 0.013 0.000 1.281 513 S CA -0.809 57.420 58.200 0.047 0.000 1.035 513 S CB 1.638 64.840 63.200 0.003 0.000 0.962 513 S HN 0.089 nan 8.310 nan 0.000 0.512 514 M N 3.663 123.195 119.600 -0.112 0.000 2.249 514 M HA 0.311 4.801 4.480 0.017 0.000 0.340 514 M C -0.091 176.012 176.300 -0.330 0.000 1.166 514 M CA 0.614 55.732 55.300 -0.304 0.000 1.115 514 M CB 0.119 32.267 32.600 -0.752 0.000 1.606 514 M HN 0.916 nan 8.290 nan 0.000 0.448 515 S N 4.933 120.407 115.700 -0.377 0.000 2.709 515 S HA 0.891 5.372 4.470 0.017 0.000 0.302 515 S C -0.776 173.667 174.600 -0.261 0.000 1.127 515 S CA -1.039 56.873 58.200 -0.480 0.000 0.905 515 S CB 1.522 64.237 63.200 -0.809 0.000 1.151 515 S HN 0.913 nan 8.310 nan 0.000 0.510 516 I N 0.304 120.753 120.570 -0.203 0.000 2.802 516 I HA 0.599 4.779 4.170 0.017 0.000 0.298 516 I C -1.584 174.501 176.117 -0.054 0.000 1.176 516 I CA -0.236 61.012 61.300 -0.088 0.000 1.025 516 I CB 2.254 40.223 38.000 -0.052 0.000 1.243 516 I HN 0.805 nan 8.210 nan 0.000 0.424 517 S N 7.435 123.126 115.700 -0.016 0.000 2.532 517 S HA 0.793 5.273 4.470 0.017 0.000 0.299 517 S C -0.738 173.866 174.600 0.007 0.000 1.105 517 S CA -0.572 57.626 58.200 -0.003 0.000 1.018 517 S CB 1.517 64.706 63.200 -0.019 0.000 1.021 517 S HN 0.588 nan 8.310 nan 0.000 0.483 518 I N -0.357 120.233 120.570 0.032 0.000 2.994 518 I HA 0.817 4.997 4.170 0.017 0.000 0.306 518 I C -1.884 174.257 176.117 0.041 0.000 1.195 518 I CA -1.397 59.921 61.300 0.031 0.000 1.001 518 I CB 1.858 39.904 38.000 0.077 0.000 1.244 518 I HN 0.507 nan 8.210 nan 0.000 0.437 519 L N 4.730 125.941 121.223 -0.019 0.000 2.376 519 L HA 0.588 4.938 4.340 0.017 0.000 0.275 519 L C -1.704 175.243 176.870 0.128 0.000 0.987 519 L CA -0.470 54.379 54.840 0.016 0.000 0.828 519 L CB 1.809 43.810 42.059 -0.098 0.000 1.249 519 L HN 0.548 nan 8.230 nan 0.000 0.409 520 L N 4.934 126.284 121.223 0.213 0.000 2.295 520 L HA 0.522 4.872 4.340 0.017 0.000 0.281 520 L C -0.892 176.110 176.870 0.220 0.000 1.018 520 L CA -0.079 54.906 54.840 0.242 0.000 0.841 520 L CB 1.197 43.438 42.059 0.303 0.000 1.218 520 L HN 0.663 nan 8.230 nan 0.000 0.424 521 D N 3.645 124.178 120.400 0.223 0.000 2.686 521 D HA 0.397 5.047 4.640 0.017 0.000 0.249 521 D C -0.963 175.383 176.300 0.078 0.000 1.260 521 D CA -0.201 53.893 54.000 0.157 0.000 0.910 521 D CB 1.939 42.834 40.800 0.159 0.000 1.323 521 D HN 0.480 nan 8.370 nan 0.000 0.561 526 P HA 0.268 nan 4.420 nan 0.000 0.341 526 P C -0.228 177.147 177.300 0.126 0.000 1.297 526 P CA -0.543 62.645 63.100 0.147 0.000 0.761 526 P CB 1.421 33.187 31.700 0.109 0.000 1.574 527 I N -0.457 120.189 120.570 0.127 0.000 2.416 527 I HA 0.485 4.665 4.170 0.017 0.000 0.288 527 I C -0.253 175.903 176.117 0.065 0.000 1.051 527 I CA 0.195 61.570 61.300 0.125 0.000 1.375 527 I CB -0.154 37.979 38.000 0.221 0.000 1.407 527 I HN 0.427 nan 8.210 nan 0.000 0.516 545 A N 1.103 123.880 122.820 -0.071 0.000 3.204 545 A HA 0.584 4.915 4.320 0.017 0.000 0.197 545 A C -0.512 177.077 177.584 0.009 0.000 1.915 545 A CA -0.039 51.981 52.037 -0.028 0.000 0.878 545 A CB 0.229 19.221 19.000 -0.013 0.000 1.868 545 A HN 0.116 nan 8.150 nan 0.000 0.685 546 E N -0.493 119.721 120.200 0.023 0.000 2.195 546 E HA 0.551 4.911 4.350 0.017 0.000 0.271 546 E C -0.876 175.744 176.600 0.034 0.000 0.923 546 E CA -0.267 56.145 56.400 0.020 0.000 0.790 546 E CB 1.141 30.844 29.700 0.004 0.000 1.155 546 E HN 0.506 nan 8.360 nan 0.000 0.402 547 M N 4.796 124.388 119.600 -0.015 0.000 2.367 547 M HA 0.480 4.970 4.480 0.017 0.000 0.339 547 M C -2.019 174.229 176.300 -0.085 0.000 1.177 547 M CA -1.872 53.374 55.300 -0.090 0.000 1.068 547 M CB 1.154 33.582 32.600 -0.288 0.000 1.602 547 M HN 0.505 nan 8.290 nan 0.000 0.457 548 P HA 0.177 nan 4.420 nan 0.000 0.277 548 P C -0.705 176.544 177.300 -0.085 0.000 1.276 548 P CA -0.112 62.957 63.100 -0.052 0.000 0.788 548 P CB 0.515 32.207 31.700 -0.013 0.000 1.114 549 N N -0.390 118.278 118.700 -0.054 0.000 2.131 549 N HA -0.198 4.552 4.740 0.017 0.000 0.190 549 N C 1.831 177.304 175.510 -0.061 0.000 1.055 549 N CA 1.036 54.054 53.050 -0.053 0.000 0.853 549 N CB -0.409 38.059 38.487 -0.032 0.000 1.035 549 N HN 0.394 nan 8.380 nan 0.000 0.440 550 Q N 0.318 120.092 119.800 -0.044 0.000 2.297 550 Q HA -0.028 4.322 4.340 0.017 0.000 0.208 550 Q C 1.698 177.667 176.000 -0.051 0.000 0.981 550 Q CA 1.306 57.086 55.803 -0.038 0.000 0.876 550 Q CB -0.280 28.446 28.738 -0.021 0.000 0.921 550 Q HN 0.545 nan 8.270 nan 0.000 0.446 551 L N -0.255 120.924 121.223 -0.073 0.000 2.072 551 L HA -0.096 4.255 4.340 0.017 0.000 0.205 551 L C 2.706 179.478 176.870 -0.164 0.000 1.079 551 L CA 1.541 56.319 54.840 -0.103 0.000 0.752 551 L CB -0.515 41.464 42.059 -0.134 0.000 0.906 551 L HN 0.291 nan 8.230 nan 0.000 0.436 552 R N 0.853 121.238 120.500 -0.192 0.000 2.091 552 R HA -0.209 4.142 4.340 0.017 0.000 0.238 552 R C 2.224 178.454 176.300 -0.117 0.000 1.136 552 R CA 1.593 57.586 56.100 -0.177 0.000 0.959 552 R CB -0.090 30.122 30.300 -0.147 0.000 0.856 552 R HN 0.226 nan 8.270 nan 0.000 0.437 553 K N 0.334 120.684 120.400 -0.084 0.000 2.001 553 K HA -0.222 4.108 4.320 0.017 0.000 0.214 553 K C 2.376 178.941 176.600 -0.059 0.000 1.050 553 K CA 2.360 58.611 56.287 -0.060 0.000 0.934 553 K CB -0.170 32.304 32.500 -0.043 0.000 0.718 553 K HN 0.355 nan 8.250 nan 0.000 0.443 554 Q N 0.469 120.237 119.800 -0.053 0.000 2.112 554 Q HA -0.208 4.142 4.340 0.017 0.000 0.206 554 Q C 2.192 178.166 176.000 -0.042 0.000 0.987 554 Q CA 1.396 57.178 55.803 -0.036 0.000 0.858 554 Q CB -0.194 28.533 28.738 -0.018 0.000 0.905 554 Q HN 0.199 nan 8.270 nan 0.000 0.420 555 L N 1.143 122.325 121.223 -0.069 0.000 1.994 555 L HA -0.207 4.144 4.340 0.017 0.000 0.208 555 L C 1.887 178.698 176.870 -0.098 0.000 1.071 555 L CA 1.891 56.685 54.840 -0.078 0.000 0.745 555 L CB -0.266 41.717 42.059 -0.126 0.000 0.892 555 L HN 0.152 nan 8.230 nan 0.000 0.431 556 E N -0.646 119.482 120.200 -0.119 0.000 2.150 556 E HA -0.180 4.180 4.350 0.017 0.000 0.193 556 E C 2.139 178.692 176.600 -0.077 0.000 0.985 556 E CA 0.866 57.188 56.400 -0.129 0.000 0.814 556 E CB -0.238 29.393 29.700 -0.116 0.000 0.752 556 E HN 0.668 nan 8.360 nan 0.000 0.466 557 A N 1.425 124.212 122.820 -0.055 0.000 1.865 557 A HA -0.206 4.124 4.320 0.017 0.000 0.217 557 A C 2.173 179.740 177.584 -0.028 0.000 1.191 557 A CA 1.235 53.251 52.037 -0.035 0.000 0.623 557 A CB -0.647 18.336 19.000 -0.027 0.000 0.826 557 A HN 0.130 nan 8.150 nan 0.000 0.444 558 I N -0.250 120.304 120.570 -0.027 0.000 2.163 558 I HA -0.293 3.887 4.170 0.017 0.000 0.243 558 I C 2.308 178.416 176.117 -0.015 0.000 1.085 558 I CA 1.562 62.853 61.300 -0.015 0.000 1.347 558 I CB -0.302 37.694 38.000 -0.007 0.000 1.044 558 I HN 0.322 nan 8.210 nan 0.000 0.408 559 I N 0.422 120.969 120.570 -0.038 0.000 2.286 559 I HA -0.286 3.895 4.170 0.017 0.000 0.248 559 I C 2.698 178.808 176.117 -0.011 0.000 1.115 559 I CA 1.257 62.537 61.300 -0.033 0.000 1.392 559 I CB -0.484 37.454 38.000 -0.102 0.000 1.065 559 I HN 0.200 nan 8.210 nan 0.000 0.418 560 A N -0.390 122.417 122.820 -0.022 0.000 1.930 560 A HA -0.123 4.207 4.320 0.017 0.000 0.217 560 A C 1.688 179.271 177.584 -0.003 0.000 1.175 560 A CA 1.313 53.343 52.037 -0.010 0.000 0.627 560 A CB -0.753 18.236 19.000 -0.018 0.000 0.815 560 A HN 0.374 nan 8.150 nan 0.000 0.443 561 T N 0.837 115.389 114.554 -0.003 0.000 2.855 561 T HA 0.270 4.631 4.350 0.017 0.000 0.322 561 T C 0.215 174.919 174.700 0.007 0.000 1.088 561 T CA 0.304 62.404 62.100 -0.002 0.000 1.104 561 T CB -0.044 68.823 68.868 -0.001 0.000 0.996 561 T HN 0.628 nan 8.240 nan 0.000 0.549 562 D N 3.124 123.525 120.400 0.002 0.000 2.371 562 D HA 0.232 4.882 4.640 0.017 0.000 0.242 562 D C -1.812 174.502 176.300 0.023 0.000 1.218 562 D CA -1.319 52.684 54.000 0.006 0.000 0.945 562 D CB 0.273 41.067 40.800 -0.009 0.000 1.137 562 D HN 0.173 nan 8.370 nan 0.000 0.464 563 P HA -0.043 nan 4.420 nan 0.000 0.222 563 P C 0.669 177.993 177.300 0.041 0.000 1.147 563 P CA 0.984 64.115 63.100 0.051 0.000 0.790 563 P CB 0.093 31.827 31.700 0.057 0.000 0.780 564 L N -2.142 119.096 121.223 0.025 0.000 2.700 564 L HA 0.189 4.540 4.340 0.017 0.000 0.234 564 L C 0.668 177.542 176.870 0.006 0.000 1.156 564 L CA -0.379 54.471 54.840 0.016 0.000 0.946 564 L CB -0.580 41.490 42.059 0.018 0.000 1.216 564 L HN -0.119 nan 8.230 nan 0.000 0.493 565 N N 1.583 120.288 118.700 0.009 0.000 2.470 565 N HA 0.174 4.925 4.740 0.017 0.000 0.268 565 N C -2.373 173.140 175.510 0.006 0.000 1.136 565 N CA -1.277 51.775 53.050 0.004 0.000 0.961 565 N CB 0.779 39.269 38.487 0.004 0.000 1.067 565 N HN -0.141 nan 8.380 nan 0.000 0.468 566 P HA 0.066 nan 4.420 nan 0.000 0.267 566 P C -0.692 176.611 177.300 0.004 0.000 1.205 566 P CA 0.162 63.261 63.100 -0.002 0.000 0.765 566 P CB 0.457 32.154 31.700 -0.006 0.000 0.828 567 L N 3.204 124.431 121.223 0.007 0.000 2.278 567 L HA 0.197 4.547 4.340 0.017 0.000 0.287 567 L C 0.902 177.777 176.870 0.007 0.000 1.072 567 L CA -0.268 54.579 54.840 0.013 0.000 0.819 567 L CB 0.420 42.492 42.059 0.023 0.000 1.176 567 L HN 0.354 nan 8.230 nan 0.000 0.435 568 T N 2.000 116.559 114.554 0.008 0.000 2.900 568 T HA 0.050 4.411 4.350 0.017 0.000 0.307 568 T C 1.403 176.107 174.700 0.006 0.000 1.065 568 T CA 0.235 62.338 62.100 0.005 0.000 1.105 568 T CB 1.526 70.397 68.868 0.006 0.000 0.979 568 T HN 0.769 nan 8.240 nan 0.000 0.544 569 A N 1.548 124.369 122.820 0.001 0.000 1.917 569 A HA -0.176 4.154 4.320 0.017 0.000 0.219 569 A C 2.216 179.803 177.584 0.006 0.000 1.182 569 A CA 2.052 54.087 52.037 -0.003 0.000 0.633 569 A CB -0.691 18.304 19.000 -0.009 0.000 0.819 569 A HN 0.973 nan 8.150 nan 0.000 0.448 570 E N -0.381 119.825 120.200 0.010 0.000 2.051 570 E HA -0.243 4.118 4.350 0.017 0.000 0.192 570 E C 1.400 178.020 176.600 0.034 0.000 0.991 570 E CA 1.415 57.826 56.400 0.018 0.000 0.799 570 E CB -0.171 29.538 29.700 0.015 0.000 0.748 570 E HN 0.573 nan 8.360 nan 0.000 0.449 571 D N 0.602 121.020 120.400 0.029 0.000 2.092 571 D HA -0.167 4.483 4.640 0.017 0.000 0.193 571 D C 1.908 178.239 176.300 0.051 0.000 0.994 571 D CA 1.157 55.179 54.000 0.037 0.000 0.828 571 D CB -0.183 40.633 40.800 0.025 0.000 0.963 571 D HN 0.154 nan 8.370 nan 0.000 0.450 572 K N 0.558 120.982 120.400 0.041 0.000 2.032 572 K HA -0.144 4.187 4.320 0.017 0.000 0.209 572 K C 2.101 178.753 176.600 0.085 0.000 1.048 572 K CA 1.162 57.478 56.287 0.048 0.000 0.927 572 K CB -0.067 32.442 32.500 0.014 0.000 0.712 572 K HN 0.270 nan 8.250 nan 0.000 0.441 573 E N 0.708 120.951 120.200 0.072 0.000 2.150 573 E HA -0.163 4.197 4.350 0.017 0.000 0.193 573 E C 1.996 178.683 176.600 0.145 0.000 0.985 573 E CA 0.466 56.928 56.400 0.104 0.000 0.814 573 E CB -0.021 29.705 29.700 0.044 0.000 0.752 573 E HN 0.167 nan 8.360 nan 0.000 0.466 574 L N 1.151 122.455 121.223 0.135 0.000 2.017 574 L HA -0.178 4.172 4.340 0.017 0.000 0.208 574 L C 2.209 179.218 176.870 0.233 0.000 1.073 574 L CA 1.431 56.396 54.840 0.207 0.000 0.745 574 L CB -0.638 41.517 42.059 0.160 0.000 0.894 574 L HN 0.216 nan 8.230 nan 0.000 0.432 575 L N -1.158 120.155 121.223 0.149 0.000 2.017 575 L HA -0.292 4.059 4.340 0.017 0.000 0.208 575 L C 2.413 179.331 176.870 0.080 0.000 1.073 575 L CA 1.834 56.732 54.840 0.097 0.000 0.745 575 L CB -1.636 40.455 42.059 0.052 0.000 0.894 575 L HN 0.542 nan 8.230 nan 0.000 0.432 576 W N 0.284 121.551 121.300 -0.055 0.000 2.379 576 W HA -0.253 4.412 4.660 0.009 0.000 0.307 576 W C 2.652 179.115 176.519 -0.093 0.000 1.200 576 W CA 1.709 58.992 57.345 -0.103 0.000 1.297 576 W CB -0.547 28.850 29.460 -0.106 0.000 1.140 576 W HN 0.371 nan 8.180 nan 0.000 0.507 577 H N -0.904 118.040 119.070 -0.211 0.000 2.422 577 H HA -0.171 4.395 4.556 0.017 0.000 0.298 577 H C 0.218 175.150 175.328 -0.659 0.000 1.098 577 H CA 1.443 57.203 56.048 -0.479 0.000 1.315 577 H CB -0.568 28.885 29.762 -0.515 0.000 1.382 577 H HN 0.030 nan 8.280 nan 0.000 0.523 578 F N 1.344 121.168 119.950 -0.211 0.000 2.942 578 F HA 0.219 4.742 4.527 -0.006 0.000 0.324 578 F C 1.665 177.323 175.800 -0.237 0.000 1.265 578 F CA -0.629 57.241 58.000 -0.217 0.000 1.255 578 F CB 0.290 39.235 39.000 -0.091 0.000 1.048 578 F HN 0.087 nan 8.300 nan 0.000 0.512 579 R N -1.204 119.109 120.500 -0.312 0.000 2.096 579 R HA -0.181 4.169 4.340 0.017 0.000 0.235 579 R C 1.023 177.087 176.300 -0.394 0.000 1.127 579 R CA 1.665 57.486 56.100 -0.465 0.000 0.968 579 R CB -0.880 28.895 30.300 -0.875 0.000 0.861 579 R HN 0.329 nan 8.270 nan 0.000 0.440 580 Y N 1.272 121.452 120.300 -0.199 0.000 2.242 580 Y HA -0.139 4.420 4.550 0.015 0.000 0.291 580 Y C 2.546 178.426 175.900 -0.033 0.000 1.137 580 Y CA 1.512 59.545 58.100 -0.111 0.000 1.181 580 Y CB -0.121 38.276 38.460 -0.105 0.000 0.989 580 Y HN 0.161 nan 8.280 nan 0.000 0.527 581 E N -0.051 120.234 120.200 0.141 0.000 2.150 581 E HA -0.119 4.242 4.350 0.017 0.000 0.193 581 E C 2.124 178.810 176.600 0.144 0.000 0.985 581 E CA 1.442 57.918 56.400 0.126 0.000 0.814 581 E CB -0.215 29.536 29.700 0.086 0.000 0.752 581 E HN 0.212 nan 8.360 nan 0.000 0.466 582 S N 0.004 115.735 115.700 0.052 0.000 2.402 582 S HA -0.079 4.401 4.470 0.017 0.000 0.229 582 S C 1.579 176.208 174.600 0.048 0.000 1.021 582 S CA 0.647 58.861 58.200 0.023 0.000 0.974 582 S CB -0.229 62.906 63.200 -0.109 0.000 0.800 582 S HN 0.241 nan 8.310 nan 0.000 0.484 583 L N 1.721 122.916 121.223 -0.046 0.000 2.456 583 L HA 0.072 4.422 4.340 0.017 0.000 0.224 583 L C 1.458 178.466 176.870 0.231 0.000 1.148 583 L CA 1.407 56.227 54.840 -0.034 0.000 0.825 583 L CB -0.363 41.630 42.059 -0.110 0.000 0.937 583 L HN 0.111 nan 8.230 nan 0.000 0.450 584 K N -1.240 119.272 120.400 0.186 0.000 2.487 584 K HA 0.099 4.430 4.320 0.017 0.000 0.192 584 K C -0.298 176.233 176.600 -0.114 0.000 1.027 584 K CA 0.210 56.523 56.287 0.045 0.000 1.054 584 K CB -0.010 32.444 32.500 -0.076 0.000 0.824 584 K HN 0.387 nan 8.250 nan 0.000 0.510 585 H N 0.062 119.267 119.070 0.227 0.000 2.887 585 H HA 0.125 4.694 4.556 0.022 0.000 0.300 585 H C -2.229 173.299 175.328 0.332 0.000 1.038 585 H CA -2.052 54.116 56.048 0.200 0.000 1.352 585 H CB 1.691 31.529 29.762 0.127 0.000 1.473 585 H HN -0.132 nan 8.280 nan 0.000 0.503 586 P HA -0.177 nan 4.420 nan 0.000 0.218 586 P C 1.424 178.907 177.300 0.304 0.000 1.146 586 P CA 1.349 64.538 63.100 0.148 0.000 0.820 586 P CB 0.393 32.043 31.700 -0.084 0.000 0.778 587 K N -0.948 119.608 120.400 0.261 0.000 2.365 587 K HA 0.040 4.370 4.320 0.017 0.000 0.199 587 K C 1.896 178.645 176.600 0.249 0.000 1.045 587 K CA 0.955 57.373 56.287 0.219 0.000 0.962 587 K CB -0.298 32.283 32.500 0.135 0.000 0.759 587 K HN 0.073 nan 8.250 nan 0.000 0.469 588 A N 0.206 123.214 122.820 0.313 0.000 2.119 588 A HA -0.102 4.228 4.320 0.017 0.000 0.216 588 A C 1.404 179.086 177.584 0.164 0.000 1.152 588 A CA 0.723 52.871 52.037 0.185 0.000 0.708 588 A CB -0.395 18.669 19.000 0.106 0.000 0.805 588 A HN 0.190 nan 8.150 nan 0.000 0.460 589 Y N 0.471 120.807 120.300 0.060 0.000 2.081 589 Y HA -0.137 4.424 4.550 0.018 0.000 0.280 589 Y C -0.157 175.806 175.900 0.105 0.000 1.163 589 Y CA 2.147 60.256 58.100 0.016 0.000 1.135 589 Y CB -1.840 36.682 38.460 0.103 0.000 0.970 589 Y HN 0.284 nan 8.280 nan 0.000 0.498 590 P HA -0.176 nan 4.420 nan 0.000 0.215 590 P C 1.170 178.706 177.300 0.394 0.000 1.157 590 P CA 2.286 65.564 63.100 0.297 0.000 0.868 590 P CB -0.041 31.807 31.700 0.246 0.000 0.788 591 K N -1.086 119.442 120.400 0.214 0.000 2.155 591 K HA -0.055 4.275 4.320 0.017 0.000 0.203 591 K C 1.982 178.632 176.600 0.084 0.000 1.052 591 K CA 0.826 57.203 56.287 0.149 0.000 0.948 591 K CB -0.912 31.640 32.500 0.087 0.000 0.728 591 K HN 0.100 nan 8.250 nan 0.000 0.448 592 L N 0.718 121.908 121.223 -0.055 0.000 2.027 592 L HA -0.054 4.296 4.340 0.017 0.000 0.206 592 L C 1.781 178.544 176.870 -0.178 0.000 1.074 592 L CA 1.650 56.336 54.840 -0.258 0.000 0.745 592 L CB -0.454 41.202 42.059 -0.671 0.000 0.898 592 L HN 0.021 nan 8.230 nan 0.000 0.433 593 F N -0.947 119.149 119.950 0.243 0.000 2.780 593 F HA 0.007 4.548 4.527 0.023 0.000 0.299 593 F C 2.227 178.385 175.800 0.597 0.000 1.146 593 F CA 0.562 58.817 58.000 0.425 0.000 1.428 593 F CB -0.281 38.993 39.000 0.456 0.000 1.115 593 F HN 0.305 nan 8.300 nan 0.000 0.583 594 S N -2.123 113.905 115.700 0.547 0.000 2.572 594 S HA 0.077 4.557 4.470 0.017 0.000 0.228 594 S C 1.147 175.841 174.600 0.158 0.000 0.963 594 S CA -0.086 58.299 58.200 0.308 0.000 0.939 594 S CB -0.154 63.118 63.200 0.120 0.000 0.804 594 S HN 0.047 nan 8.310 nan 0.000 0.480 595 S N 1.014 116.783 115.700 0.115 0.000 2.556 595 S HA 0.304 4.784 4.470 0.017 0.000 0.216 595 S C 0.260 174.779 174.600 -0.136 0.000 0.970 595 S CA -0.296 57.917 58.200 0.021 0.000 0.912 595 S CB 0.303 63.545 63.200 0.070 0.000 0.790 595 S HN 0.417 nan 8.310 nan 0.000 0.504 596 V N 2.865 122.642 119.914 -0.229 0.000 2.498 596 V HA 0.194 4.324 4.120 0.017 0.000 0.279 596 V C 0.239 175.870 176.094 -0.770 0.000 1.048 596 V CA -0.529 61.333 62.300 -0.730 0.000 0.967 596 V CB 1.146 32.297 31.823 -1.121 0.000 0.988 596 V HN 0.204 nan 8.190 nan 0.000 0.473 597 K N 5.018 124.963 120.400 -0.758 0.000 2.110 597 K HA 0.068 4.398 4.320 0.017 0.000 0.260 597 K C 0.196 176.490 176.600 -0.512 0.000 1.126 597 K CA 0.197 56.183 56.287 -0.502 0.000 1.005 597 K CB 0.108 32.344 32.500 -0.440 0.000 1.336 597 K HN 0.686 nan 8.250 nan 0.000 0.369 598 W N 0.971 122.125 121.300 -0.244 0.000 2.465 598 W HA -0.054 4.617 4.660 0.019 0.000 0.268 598 W C 1.969 178.294 176.519 -0.324 0.000 1.242 598 W CA 0.415 57.563 57.345 -0.328 0.000 1.248 598 W CB 0.055 29.196 29.460 -0.531 0.000 1.118 598 W HN 0.642 nan 8.180 nan 0.000 0.587 599 G N -0.560 108.193 108.800 -0.078 0.000 2.848 599 G HA2 -0.069 3.901 3.960 0.017 0.000 0.208 599 G HA3 -0.069 3.901 3.960 0.017 0.000 0.208 599 G C 0.661 175.495 174.900 -0.110 0.000 1.152 599 G CA -0.030 45.015 45.100 -0.093 0.000 0.789 599 G HN 0.076 nan 8.290 nan 0.000 0.531 600 Q N -0.163 119.543 119.800 -0.157 0.000 2.325 600 Q HA 0.191 4.542 4.340 0.017 0.000 0.262 600 Q C 0.984 176.889 176.000 -0.159 0.000 0.968 600 Q CA -0.391 55.317 55.803 -0.158 0.000 0.877 600 Q CB 1.948 30.559 28.738 -0.211 0.000 1.253 600 Q HN 0.459 nan 8.270 nan 0.000 0.448 601 Q N 2.952 122.686 119.800 -0.110 0.000 2.050 601 Q HA -0.190 4.161 4.340 0.017 0.000 0.202 601 Q C 0.733 176.664 176.000 -0.115 0.000 0.980 601 Q CA 2.157 57.900 55.803 -0.099 0.000 0.840 601 Q CB 0.187 28.890 28.738 -0.058 0.000 0.898 601 Q HN 0.635 nan 8.270 nan 0.000 0.424 602 E N 0.132 120.276 120.200 -0.094 0.000 2.204 602 E HA -0.096 4.264 4.350 0.017 0.000 0.194 602 E C 2.018 178.573 176.600 -0.075 0.000 0.989 602 E CA 1.082 57.441 56.400 -0.068 0.000 0.824 602 E CB -0.079 29.598 29.700 -0.037 0.000 0.756 602 E HN 0.487 nan 8.360 nan 0.000 0.477 603 I N 0.527 121.007 120.570 -0.149 0.000 2.333 603 I HA -0.207 3.974 4.170 0.017 0.000 0.246 603 I C 2.286 178.254 176.117 -0.249 0.000 1.106 603 I CA 0.474 61.650 61.300 -0.206 0.000 1.411 603 I CB 0.002 37.713 38.000 -0.482 0.000 1.082 603 I HN -0.046 nan 8.210 nan 0.000 0.420 604 V N 1.231 120.946 119.914 -0.332 0.000 2.282 604 V HA -0.380 3.750 4.120 0.017 0.000 0.249 604 V C 2.739 178.541 176.094 -0.487 0.000 1.057 604 V CA 2.208 64.261 62.300 -0.411 0.000 1.032 604 V CB -1.156 30.477 31.823 -0.317 0.000 0.645 604 V HN 0.524 nan 8.190 nan 0.000 0.447 605 A N -0.542 122.084 122.820 -0.325 0.000 1.883 605 A HA -0.285 4.045 4.320 0.017 0.000 0.217 605 A C 2.303 179.872 177.584 -0.025 0.000 1.186 605 A CA 2.235 54.153 52.037 -0.200 0.000 0.624 605 A CB -0.511 18.442 19.000 -0.079 0.000 0.822 605 A HN 0.555 nan 8.150 nan 0.000 0.444 606 K N -0.933 119.489 120.400 0.037 0.000 2.147 606 K HA -0.091 4.239 4.320 0.017 0.000 0.205 606 K C 2.017 178.717 176.600 0.166 0.000 1.049 606 K CA 1.649 58.017 56.287 0.134 0.000 0.936 606 K CB -0.305 32.331 32.500 0.226 0.000 0.722 606 K HN 0.566 nan 8.250 nan 0.000 0.446 607 T N 0.299 114.975 114.554 0.204 0.000 2.821 607 T HA -0.127 4.233 4.350 0.017 0.000 0.267 607 T C 1.637 176.570 174.700 0.388 0.000 1.046 607 T CA 1.081 63.350 62.100 0.282 0.000 1.139 607 T CB -0.320 68.679 68.868 0.218 0.000 0.871 607 T HN 0.322 nan 8.240 nan 0.000 0.454 608 Y N 1.592 121.960 120.300 0.114 0.000 2.242 608 Y HA -0.132 4.428 4.550 0.017 0.000 0.291 608 Y C 2.999 178.945 175.900 0.077 0.000 1.137 608 Y CA 0.392 58.549 58.100 0.093 0.000 1.181 608 Y CB -0.209 38.307 38.460 0.093 0.000 0.989 608 Y HN 0.269 nan 8.280 nan 0.000 0.527 609 Q N 0.000 119.947 119.800 0.245 0.000 2.124 609 Q HA -0.202 4.148 4.340 0.017 0.000 0.202 609 Q C 2.335 178.418 176.000 0.140 0.000 0.977 609 Q CA 1.006 56.909 55.803 0.167 0.000 0.850 609 Q CB -0.103 28.723 28.738 0.146 0.000 0.901 609 Q HN 0.459 nan 8.270 nan 0.000 0.429 610 L N 0.642 121.919 121.223 0.090 0.000 2.046 610 L HA -0.156 4.194 4.340 0.017 0.000 0.208 610 L C 1.887 178.783 176.870 0.043 0.000 1.077 610 L CA 1.499 56.308 54.840 -0.051 0.000 0.747 610 L CB -0.311 41.641 42.059 -0.178 0.000 0.896 610 L HN 0.346 nan 8.230 nan 0.000 0.432 611 L N -0.425 120.869 121.223 0.117 0.000 2.622 611 L HA -0.060 4.290 4.340 0.017 0.000 0.233 611 L C 2.533 179.451 176.870 0.079 0.000 1.156 611 L CA 0.394 55.290 54.840 0.093 0.000 0.866 611 L CB -0.414 41.666 42.059 0.035 0.000 0.980 611 L HN 0.252 nan 8.230 nan 0.000 0.448 612 A N 0.613 123.492 122.820 0.097 0.000 1.968 612 A HA -0.088 4.242 4.320 0.017 0.000 0.217 612 A C 1.421 179.066 177.584 0.101 0.000 1.169 612 A CA 0.593 52.685 52.037 0.091 0.000 0.638 612 A CB -0.158 18.901 19.000 0.099 0.000 0.812 612 A HN 0.387 nan 8.150 nan 0.000 0.446 613 R N -0.040 120.533 120.500 0.123 0.000 2.522 613 R HA 0.376 4.727 4.340 0.017 0.000 0.290 613 R C -0.220 176.176 176.300 0.161 0.000 1.216 613 R CA -0.317 55.864 56.100 0.134 0.000 1.250 613 R CB -0.052 30.340 30.300 0.152 0.000 1.143 613 R HN 0.303 nan 8.270 nan 0.000 0.553 614 R N 1.452 122.050 120.500 0.164 0.000 2.426 614 R HA 0.038 4.388 4.340 0.017 0.000 0.263 614 R C 0.755 177.194 176.300 0.232 0.000 0.961 614 R CA -0.027 56.212 56.100 0.231 0.000 1.086 614 R CB 0.303 30.732 30.300 0.216 0.000 1.186 614 R HN 0.538 nan 8.270 nan 0.000 0.537 615 E N 0.134 120.434 120.200 0.166 0.000 2.082 615 E HA -0.272 4.088 4.350 0.017 0.000 0.215 615 E C 1.762 178.433 176.600 0.118 0.000 1.048 615 E CA 1.999 58.471 56.400 0.120 0.000 0.869 615 E CB -0.387 29.368 29.700 0.092 0.000 0.773 615 E HN 0.178 nan 8.360 nan 0.000 0.466 616 V N 1.141 121.142 119.914 0.144 0.000 2.343 616 V HA -0.212 3.919 4.120 0.017 0.000 0.247 616 V C 2.171 178.318 176.094 0.089 0.000 1.051 616 V CA 1.827 64.188 62.300 0.103 0.000 1.036 616 V CB -0.832 31.062 31.823 0.118 0.000 0.654 616 V HN 0.422 nan 8.190 nan 0.000 0.451 617 W N 1.668 122.954 121.300 -0.024 0.000 2.332 617 W HA -0.206 4.464 4.660 0.016 0.000 0.321 617 W C 2.112 178.574 176.519 -0.096 0.000 1.219 617 W CA 2.124 59.382 57.345 -0.145 0.000 1.277 617 W CB -0.385 28.991 29.460 -0.140 0.000 1.161 617 W HN 0.325 nan 8.180 nan 0.000 0.476 618 D N 0.077 120.533 120.400 0.093 0.000 2.271 618 D HA -0.203 4.447 4.640 0.017 0.000 0.207 618 D C 1.881 178.119 176.300 -0.103 0.000 0.983 618 D CA 1.542 55.538 54.000 -0.007 0.000 0.878 618 D CB -0.383 40.474 40.800 0.095 0.000 0.920 618 D HN 0.428 nan 8.370 nan 0.000 0.479 619 Q N -0.281 119.462 119.800 -0.096 0.000 2.319 619 Q HA 0.081 4.431 4.340 0.017 0.000 0.209 619 Q C 0.380 176.295 176.000 -0.142 0.000 0.884 619 Q CA -0.204 55.543 55.803 -0.093 0.000 0.938 619 Q CB 0.739 29.451 28.738 -0.044 0.000 1.098 619 Q HN 0.118 nan 8.270 nan 0.000 0.517 620 S N 0.001 115.565 115.700 -0.226 0.000 2.585 620 S HA 0.556 5.036 4.470 0.017 0.000 0.273 620 S C 0.284 174.722 174.600 -0.271 0.000 1.339 620 S CA -0.675 57.373 58.200 -0.254 0.000 1.028 620 S CB 1.301 64.298 63.200 -0.338 0.000 0.906 620 S HN 0.226 nan 8.310 nan 0.000 0.528 621 A N 1.939 124.636 122.820 -0.205 0.000 2.386 621 A HA 0.458 4.789 4.320 0.017 0.000 0.248 621 A C 0.183 177.633 177.584 -0.223 0.000 1.082 621 A CA -0.677 51.255 52.037 -0.174 0.000 0.789 621 A CB -0.151 18.781 19.000 -0.114 0.000 1.025 621 A HN 0.995 nan 8.150 nan 0.000 0.490 622 L N 1.629 122.741 121.223 -0.184 0.000 2.584 622 L HA 0.112 4.463 4.340 0.017 0.000 0.272 622 L C -0.264 176.511 176.870 -0.158 0.000 1.195 622 L CA 0.601 55.327 54.840 -0.190 0.000 0.920 622 L CB -0.171 41.817 42.059 -0.119 0.000 1.173 622 L HN 0.636 nan 8.230 nan 0.000 0.489 623 D N 4.295 124.580 120.400 -0.192 0.000 2.464 623 D HA 0.133 4.783 4.640 0.017 0.000 0.243 623 D C 1.037 177.261 176.300 -0.127 0.000 1.104 623 D CA -0.327 53.595 54.000 -0.130 0.000 0.883 623 D CB 1.171 41.896 40.800 -0.124 0.000 1.050 623 D HN 0.398 nan 8.370 nan 0.000 0.524 624 V N 3.792 123.619 119.914 -0.145 0.000 2.282 624 V HA -0.200 3.931 4.120 0.017 0.000 0.249 624 V C 2.538 178.528 176.094 -0.173 0.000 1.057 624 V CA 2.367 64.524 62.300 -0.238 0.000 1.032 624 V CB -0.657 30.882 31.823 -0.473 0.000 0.645 624 V HN 0.688 nan 8.190 nan 0.000 0.447 625 G N -0.625 108.113 108.800 -0.103 0.000 2.476 625 G HA2 -0.278 3.693 3.960 0.017 0.000 0.218 625 G HA3 -0.278 3.693 3.960 0.017 0.000 0.218 625 G C 1.634 176.526 174.900 -0.012 0.000 1.164 625 G CA 1.200 46.276 45.100 -0.039 0.000 0.768 625 G HN 0.443 nan 8.290 nan 0.000 0.560 626 L N 0.306 121.526 121.223 -0.005 0.000 2.017 626 L HA -0.119 4.232 4.340 0.017 0.000 0.208 626 L C 3.265 180.170 176.870 0.058 0.000 1.073 626 L CA 1.943 56.813 54.840 0.050 0.000 0.745 626 L CB -0.641 41.455 42.059 0.061 0.000 0.894 626 L HN 0.271 nan 8.230 nan 0.000 0.432 627 T N -0.418 114.146 114.554 0.016 0.000 2.652 627 T HA -0.226 4.134 4.350 0.017 0.000 0.267 627 T C 1.939 176.621 174.700 -0.029 0.000 1.039 627 T CA 1.367 63.474 62.100 0.012 0.000 1.153 627 T CB -0.163 68.671 68.868 -0.057 0.000 0.863 627 T HN 0.156 nan 8.240 nan 0.000 0.428 628 M N 1.514 121.085 119.600 -0.049 0.000 2.106 628 M HA -0.148 4.342 4.480 0.017 0.000 0.259 628 M C 2.311 178.610 176.300 -0.002 0.000 1.068 628 M CA 1.538 56.822 55.300 -0.025 0.000 1.100 628 M CB -1.388 31.195 32.600 -0.028 0.000 1.351 628 M HN 0.386 nan 8.290 nan 0.000 0.404 629 Q N -0.010 119.793 119.800 0.005 0.000 2.135 629 Q HA -0.119 4.232 4.340 0.017 0.000 0.204 629 Q C 2.050 178.042 176.000 -0.013 0.000 0.981 629 Q CA 1.128 56.955 55.803 0.040 0.000 0.856 629 Q CB -0.293 28.488 28.738 0.070 0.000 0.902 629 Q HN 0.507 nan 8.270 nan 0.000 0.425 630 L N 0.099 121.216 121.223 -0.178 0.000 2.552 630 L HA -0.048 4.302 4.340 0.017 0.000 0.227 630 L C 1.486 178.258 176.870 -0.163 0.000 1.146 630 L CA 0.324 54.894 54.840 -0.450 0.000 0.858 630 L CB 0.057 41.872 42.059 -0.406 0.000 0.969 630 L HN 0.215 nan 8.230 nan 0.000 0.451 631 L N -0.362 120.843 121.223 -0.030 0.000 2.728 631 L HA 0.114 4.464 4.340 0.017 0.000 0.238 631 L C 0.480 177.390 176.870 0.067 0.000 1.143 631 L CA -0.421 54.442 54.840 0.040 0.000 0.937 631 L CB -0.199 41.889 42.059 0.048 0.000 1.225 631 L HN 0.290 nan 8.230 nan 0.000 0.507 632 D N -1.223 119.156 120.400 -0.036 0.000 2.511 632 D HA -0.013 4.637 4.640 0.017 0.000 0.276 632 D C 1.394 177.311 176.300 -0.639 0.000 1.220 632 D CA -0.455 53.258 54.000 -0.479 0.000 1.077 632 D CB 0.443 41.046 40.800 -0.329 0.000 1.126 632 D HN 0.107 nan 8.370 nan 0.000 0.583 633 C N -1.423 117.243 119.300 -1.056 0.000 2.491 633 C HA 0.149 4.619 4.460 0.017 0.000 0.277 633 C C 1.308 176.071 174.990 -0.377 0.000 1.455 633 C CA -0.144 58.504 59.018 -0.617 0.000 1.758 633 C CB -2.002 25.439 27.740 -0.498 0.000 1.745 633 C HN 0.485 nan 8.230 nan 0.000 0.558 634 N N -0.529 117.927 118.700 -0.407 0.000 2.412 634 N HA 0.219 4.969 4.740 0.017 0.000 0.184 634 N C -0.634 174.259 175.510 -1.028 0.000 1.101 634 N CA 0.478 53.130 53.050 -0.662 0.000 0.881 634 N CB 0.046 38.068 38.487 -0.776 0.000 0.969 634 N HN 0.558 nan 8.380 nan 0.000 0.459 635 F N -0.650 119.171 119.950 -0.216 0.000 2.553 635 F HA 0.382 4.918 4.527 0.015 0.000 0.335 635 F C 0.294 175.879 175.800 -0.359 0.000 1.148 635 F CA -0.890 56.954 58.000 -0.260 0.000 0.963 635 F CB 1.879 40.789 39.000 -0.150 0.000 1.217 635 F HN -0.208 nan 8.300 nan 0.000 0.441 636 S N 0.629 116.027 115.700 -0.504 0.000 2.602 636 S HA 0.031 4.511 4.470 0.017 0.000 0.240 636 S C -0.358 173.965 174.600 -0.460 0.000 0.992 636 S CA -0.330 57.526 58.200 -0.573 0.000 0.971 636 S CB -0.200 62.426 63.200 -0.956 0.000 0.855 636 S HN 0.626 nan 8.310 nan 0.000 0.481 637 D N 1.745 121.937 120.400 -0.348 0.000 2.256 637 D HA 0.115 4.765 4.640 0.017 0.000 0.240 637 D C 0.822 177.082 176.300 -0.067 0.000 1.062 637 D CA -0.171 53.724 54.000 -0.175 0.000 0.832 637 D CB 1.339 41.954 40.800 -0.309 0.000 1.135 637 D HN 0.169 nan 8.370 nan 0.000 0.484 638 E N 3.773 123.977 120.200 0.006 0.000 2.110 638 E HA -0.201 4.159 4.350 0.017 0.000 0.193 638 E C 0.798 177.356 176.600 -0.070 0.000 0.988 638 E CA 0.945 57.340 56.400 -0.008 0.000 0.804 638 E CB 0.213 29.929 29.700 0.027 0.000 0.745 638 E HN 0.483 nan 8.360 nan 0.000 0.458 639 N N 0.439 119.069 118.700 -0.118 0.000 2.142 639 N HA -0.124 4.626 4.740 0.017 0.000 0.186 639 N C 2.102 177.469 175.510 -0.238 0.000 1.023 639 N CA 1.299 54.218 53.050 -0.219 0.000 0.852 639 N CB -0.143 38.082 38.487 -0.437 0.000 0.998 639 N HN 0.081 nan 8.380 nan 0.000 0.424 640 V N 2.056 121.828 119.914 -0.238 0.000 2.255 640 V HA -0.216 3.915 4.120 0.017 0.000 0.247 640 V C 2.393 178.307 176.094 -0.299 0.000 1.051 640 V CA 1.600 63.664 62.300 -0.393 0.000 1.018 640 V CB -0.480 31.152 31.823 -0.317 0.000 0.641 640 V HN 0.263 nan 8.190 nan 0.000 0.445 641 R N 0.079 120.472 120.500 -0.179 0.000 2.096 641 R HA -0.070 4.281 4.340 0.017 0.000 0.235 641 R C 2.374 178.611 176.300 -0.106 0.000 1.127 641 R CA 1.360 57.385 56.100 -0.124 0.000 0.968 641 R CB -0.534 29.730 30.300 -0.059 0.000 0.861 641 R HN 0.545 nan 8.270 nan 0.000 0.440 642 A N 1.699 124.459 122.820 -0.101 0.000 1.968 642 A HA -0.102 4.228 4.320 0.017 0.000 0.217 642 A C 2.178 179.723 177.584 -0.065 0.000 1.169 642 A CA 1.093 53.089 52.037 -0.069 0.000 0.638 642 A CB -0.530 18.437 19.000 -0.055 0.000 0.812 642 A HN 0.451 nan 8.150 nan 0.000 0.446 643 I N -2.896 117.604 120.570 -0.116 0.000 2.493 643 I HA -0.014 4.166 4.170 0.017 0.000 0.254 643 I C 2.271 178.447 176.117 0.099 0.000 1.160 643 I CA 1.309 62.574 61.300 -0.057 0.000 1.445 643 I CB -0.383 37.423 38.000 -0.324 0.000 1.086 643 I HN 0.138 nan 8.210 nan 0.000 0.433 644 A N 1.510 124.324 122.820 -0.010 0.000 1.873 644 A HA -0.038 4.293 4.320 0.017 0.000 0.215 644 A C 2.374 179.928 177.584 -0.051 0.000 1.186 644 A CA 1.894 53.955 52.037 0.040 0.000 0.616 644 A CB -1.075 17.895 19.000 -0.049 0.000 0.823 644 A HN 0.325 nan 8.150 nan 0.000 0.442 645 V N 0.463 120.312 119.914 -0.108 0.000 2.490 645 V HA -0.296 3.834 4.120 0.017 0.000 0.250 645 V C 2.669 178.634 176.094 -0.215 0.000 1.061 645 V CA 2.136 64.297 62.300 -0.231 0.000 1.064 645 V CB -0.857 30.875 31.823 -0.151 0.000 0.670 645 V HN 0.743 nan 8.190 nan 0.000 0.461 646 Q N 0.408 120.173 119.800 -0.058 0.000 2.030 646 Q HA -0.311 4.039 4.340 0.017 0.000 0.204 646 Q C 2.306 178.288 176.000 -0.029 0.000 0.986 646 Q CA 2.048 57.851 55.803 0.000 0.000 0.843 646 Q CB -0.066 28.726 28.738 0.090 0.000 0.904 646 Q HN 0.443 nan 8.270 nan 0.000 0.420 647 K N 0.438 120.831 120.400 -0.012 0.000 2.209 647 K HA -0.042 4.288 4.320 0.017 0.000 0.204 647 K C 1.949 178.473 176.600 -0.127 0.000 1.048 647 K CA 0.794 57.027 56.287 -0.090 0.000 0.940 647 K CB -0.191 32.236 32.500 -0.123 0.000 0.729 647 K HN 0.266 nan 8.250 nan 0.000 0.451 648 L N 0.647 121.739 121.223 -0.217 0.000 2.275 648 L HA -0.129 4.222 4.340 0.017 0.000 0.215 648 L C 1.844 178.676 176.870 -0.064 0.000 1.119 648 L CA 0.726 55.399 54.840 -0.278 0.000 0.790 648 L CB -0.347 41.278 42.059 -0.724 0.000 0.919 648 L HN 0.189 nan 8.230 nan 0.000 0.443 649 E N 0.285 120.475 120.200 -0.016 0.000 2.118 649 E HA -0.197 4.164 4.350 0.017 0.000 0.195 649 E C 2.027 178.731 176.600 0.174 0.000 0.992 649 E CA 1.648 58.184 56.400 0.227 0.000 0.804 649 E CB -0.289 29.498 29.700 0.146 0.000 0.741 649 E HN 0.527 nan 8.360 nan 0.000 0.458 650 S N 0.369 116.116 115.700 0.078 0.000 2.851 650 S HA 0.102 4.582 4.470 0.017 0.000 0.227 650 S C 0.776 175.422 174.600 0.078 0.000 0.958 650 S CA -0.136 58.099 58.200 0.058 0.000 0.990 650 S CB -0.576 62.627 63.200 0.005 0.000 0.790 650 S HN 0.035 nan 8.310 nan 0.000 0.509 651 L N 2.753 124.058 121.223 0.137 0.000 2.276 651 L HA 0.338 4.689 4.340 0.017 0.000 0.286 651 L C 0.489 177.449 176.870 0.150 0.000 1.061 651 L CA -0.710 54.225 54.840 0.159 0.000 0.807 651 L CB 0.924 43.123 42.059 0.232 0.000 1.177 651 L HN 0.419 nan 8.230 nan 0.000 0.429 652 E N 0.900 121.175 120.200 0.125 0.000 2.390 652 E HA 0.031 4.391 4.350 0.017 0.000 0.261 652 E C -0.256 176.416 176.600 0.119 0.000 1.076 652 E CA -0.529 55.935 56.400 0.106 0.000 0.905 652 E CB 0.760 30.512 29.700 0.087 0.000 0.984 652 E HN 0.530 nan 8.360 nan 0.000 0.427 653 D N 1.266 121.724 120.400 0.097 0.000 2.190 653 D HA -0.227 4.423 4.640 0.017 0.000 0.200 653 D C 1.186 177.537 176.300 0.086 0.000 0.992 653 D CA 1.630 55.678 54.000 0.079 0.000 0.854 653 D CB -0.068 40.770 40.800 0.062 0.000 0.936 653 D HN 0.640 nan 8.370 nan 0.000 0.462 654 D N 0.496 120.976 120.400 0.133 0.000 2.133 654 D HA -0.195 4.455 4.640 0.017 0.000 0.192 654 D C 1.429 177.768 176.300 0.065 0.000 1.001 654 D CA 1.270 55.363 54.000 0.155 0.000 0.844 654 D CB -0.053 40.843 40.800 0.161 0.000 0.944 654 D HN 0.095 nan 8.370 nan 0.000 0.447 655 D N -0.885 119.618 120.400 0.171 0.000 2.234 655 D HA -0.052 4.599 4.640 0.017 0.000 0.205 655 D C 2.283 178.759 176.300 0.294 0.000 0.962 655 D CA 0.249 54.428 54.000 0.299 0.000 0.855 655 D CB 0.272 41.278 40.800 0.344 0.000 0.951 655 D HN 0.162 nan 8.370 nan 0.000 0.500 656 V N 1.501 121.545 119.914 0.216 0.000 2.287 656 V HA -0.240 3.890 4.120 0.017 0.000 0.248 656 V C 2.702 178.870 176.094 0.123 0.000 1.053 656 V CA 1.181 63.611 62.300 0.218 0.000 1.027 656 V CB -0.548 31.353 31.823 0.130 0.000 0.646 656 V HN 0.186 nan 8.190 nan 0.000 0.447 657 L N -0.775 120.438 121.223 -0.016 0.000 2.189 657 L HA -0.250 4.100 4.340 0.017 0.000 0.214 657 L C 2.430 179.191 176.870 -0.182 0.000 1.097 657 L CA 1.740 56.494 54.840 -0.143 0.000 0.764 657 L CB -0.641 41.262 42.059 -0.260 0.000 0.900 657 L HN 0.469 nan 8.230 nan 0.000 0.436 658 H N -2.629 116.356 119.070 -0.142 0.000 2.428 658 H HA -0.091 4.476 4.556 0.017 0.000 0.296 658 H C 0.931 175.961 175.328 -0.497 0.000 1.062 658 H CA 1.271 57.077 56.048 -0.402 0.000 1.350 658 H CB 0.235 29.588 29.762 -0.681 0.000 1.403 658 H HN 0.311 nan 8.280 nan 0.000 0.533 659 Y N -0.865 119.527 120.300 0.154 0.000 2.531 659 Y HA 0.073 4.633 4.550 0.018 0.000 0.249 659 Y C 1.469 177.429 175.900 0.099 0.000 1.168 659 Y CA -0.417 57.745 58.100 0.104 0.000 1.226 659 Y CB 0.583 39.107 38.460 0.106 0.000 1.177 659 Y HN 0.110 nan 8.280 nan 0.000 0.527 660 L N 0.012 121.361 121.223 0.209 0.000 2.056 660 L HA -0.167 4.184 4.340 0.017 0.000 0.207 660 L C 2.079 179.070 176.870 0.201 0.000 1.078 660 L CA 1.537 56.524 54.840 0.244 0.000 0.749 660 L CB -0.567 41.659 42.059 0.277 0.000 0.901 660 L HN 0.286 nan 8.230 nan 0.000 0.433 661 L N -0.524 120.716 121.223 0.028 0.000 2.042 661 L HA -0.253 4.097 4.340 0.017 0.000 0.210 661 L C 2.432 179.201 176.870 -0.167 0.000 1.076 661 L CA 1.913 56.532 54.840 -0.369 0.000 0.749 661 L CB -0.686 40.995 42.059 -0.630 0.000 0.893 661 L HN 0.455 nan 8.230 nan 0.000 0.432 662 Q N -1.488 118.293 119.800 -0.033 0.000 2.212 662 Q HA -0.020 4.331 4.340 0.017 0.000 0.199 662 Q C 2.247 178.289 176.000 0.070 0.000 0.950 662 Q CA 0.872 56.685 55.803 0.018 0.000 0.863 662 Q CB -0.009 28.768 28.738 0.066 0.000 0.944 662 Q HN 0.493 nan 8.270 nan 0.000 0.465 663 L N -0.308 120.989 121.223 0.122 0.000 2.046 663 L HA -0.194 4.156 4.340 0.017 0.000 0.208 663 L C 2.205 179.145 176.870 0.116 0.000 1.077 663 L CA 0.861 55.788 54.840 0.145 0.000 0.747 663 L CB -0.493 41.699 42.059 0.221 0.000 0.896 663 L HN 0.118 nan 8.230 nan 0.000 0.432 664 V N -0.729 119.236 119.914 0.084 0.000 2.343 664 V HA -0.260 3.870 4.120 0.017 0.000 0.247 664 V C 2.548 178.640 176.094 -0.003 0.000 1.051 664 V CA 1.496 63.822 62.300 0.044 0.000 1.036 664 V CB -0.539 31.278 31.823 -0.010 0.000 0.654 664 V HN 0.480 nan 8.190 nan 0.000 0.451 665 Q N -0.050 119.701 119.800 -0.081 0.000 2.167 665 Q HA -0.078 4.273 4.340 0.017 0.000 0.202 665 Q C 2.404 178.281 176.000 -0.205 0.000 0.970 665 Q CA 1.644 57.361 55.803 -0.145 0.000 0.855 665 Q CB -0.610 28.031 28.738 -0.162 0.000 0.911 665 Q HN 0.656 nan 8.270 nan 0.000 0.438 666 A N 0.527 123.317 122.820 -0.051 0.000 2.125 666 A HA -0.087 4.244 4.320 0.017 0.000 0.219 666 A C 2.299 179.852 177.584 -0.051 0.000 1.156 666 A CA 0.918 52.985 52.037 0.050 0.000 0.671 666 A CB -0.440 18.672 19.000 0.186 0.000 0.794 666 A HN 0.197 nan 8.150 nan 0.000 0.459 667 V N 0.064 119.944 119.914 -0.056 0.000 2.720 667 V HA -0.239 3.892 4.120 0.017 0.000 0.256 667 V C 2.161 178.046 176.094 -0.347 0.000 1.082 667 V CA 2.080 64.334 62.300 -0.077 0.000 1.101 667 V CB -0.642 31.242 31.823 0.102 0.000 0.693 667 V HN 0.569 nan 8.190 nan 0.000 0.479 668 K N -0.537 119.487 120.400 -0.625 0.000 2.442 668 K HA -0.031 4.300 4.320 0.017 0.000 0.198 668 K C 1.549 177.737 176.600 -0.688 0.000 1.042 668 K CA 1.209 56.837 56.287 -1.098 0.000 0.958 668 K CB -0.151 31.569 32.500 -1.301 0.000 0.766 668 K HN 0.510 nan 8.250 nan 0.000 0.474 669 F N 1.106 120.946 119.950 -0.184 0.000 2.749 669 F HA 0.094 4.633 4.527 0.019 0.000 0.300 669 F C 0.618 176.352 175.800 -0.110 0.000 1.103 669 F CA -0.499 57.432 58.000 -0.115 0.000 1.342 669 F CB 0.435 39.388 39.000 -0.078 0.000 1.098 669 F HN -0.195 nan 8.300 nan 0.000 0.586 670 E N 2.844 123.054 120.200 0.017 0.000 2.324 670 E HA 0.033 4.393 4.350 0.017 0.000 0.271 670 E C -1.462 175.082 176.600 -0.093 0.000 1.028 670 E CA -1.628 54.762 56.400 -0.017 0.000 0.890 670 E CB 0.628 30.322 29.700 -0.010 0.000 1.004 670 E HN 0.065 nan 8.360 nan 0.000 0.431 671 P HA -0.152 nan 4.420 nan 0.000 0.216 671 P C -0.127 176.826 177.300 -0.579 0.000 1.150 671 P CA 1.469 64.342 63.100 -0.378 0.000 0.837 671 P CB 0.165 31.589 31.700 -0.459 0.000 0.786 672 Y N -2.465 117.736 120.300 -0.165 0.000 2.549 672 Y HA 0.294 4.854 4.550 0.017 0.000 0.339 672 Y C 2.256 178.036 175.900 -0.200 0.000 1.053 672 Y CA -0.827 57.134 58.100 -0.231 0.000 1.105 672 Y CB 0.685 39.065 38.460 -0.132 0.000 1.258 672 Y HN -0.143 nan 8.280 nan 0.000 0.478 673 H N -0.706 118.439 119.070 0.125 0.000 2.423 673 H HA -0.083 4.483 4.556 0.018 0.000 0.297 673 H C -0.170 175.197 175.328 0.065 0.000 1.075 673 H CA 1.195 57.268 56.048 0.042 0.000 1.342 673 H CB 0.141 29.906 29.762 0.005 0.000 1.395 673 H HN 0.517 nan 8.280 nan 0.000 0.530 674 D N 1.449 121.975 120.400 0.210 0.000 2.359 674 D HA 0.175 4.825 4.640 0.017 0.000 0.230 674 D C -0.373 176.001 176.300 0.123 0.000 1.118 674 D CA -0.166 53.925 54.000 0.152 0.000 0.844 674 D CB 0.693 41.587 40.800 0.156 0.000 1.059 674 D HN 0.233 nan 8.370 nan 0.000 0.493 675 S N 1.407 117.172 115.700 0.109 0.000 2.595 675 S HA 0.650 5.130 4.470 0.017 0.000 0.281 675 S C 1.093 175.749 174.600 0.093 0.000 1.117 675 S CA -0.409 57.847 58.200 0.094 0.000 0.873 675 S CB 1.644 64.897 63.200 0.088 0.000 1.108 675 S HN 0.259 nan 8.310 nan 0.000 0.477 676 A N 0.755 123.621 122.820 0.076 0.000 1.986 676 A HA -0.087 4.243 4.320 0.017 0.000 0.220 676 A C 1.905 179.563 177.584 0.123 0.000 1.171 676 A CA 1.913 54.000 52.037 0.083 0.000 0.640 676 A CB -0.883 18.142 19.000 0.041 0.000 0.811 676 A HN 0.970 nan 8.150 nan 0.000 0.451 677 L N -0.798 120.491 121.223 0.109 0.000 2.095 677 L HA 0.149 4.500 4.340 0.017 0.000 0.204 677 L C 2.675 179.667 176.870 0.205 0.000 1.080 677 L CA 1.955 56.886 54.840 0.152 0.000 0.759 677 L CB -0.936 41.185 42.059 0.104 0.000 0.914 677 L HN 0.306 nan 8.230 nan 0.000 0.439 678 A N -0.114 122.798 122.820 0.152 0.000 1.883 678 A HA -0.247 4.083 4.320 0.017 0.000 0.217 678 A C 2.427 180.101 177.584 0.151 0.000 1.186 678 A CA 2.012 54.137 52.037 0.146 0.000 0.624 678 A CB -0.578 18.494 19.000 0.120 0.000 0.822 678 A HN 0.506 nan 8.150 nan 0.000 0.444 679 R N -2.132 118.459 120.500 0.152 0.000 2.092 679 R HA -0.083 4.268 4.340 0.017 0.000 0.231 679 R C 2.019 178.422 176.300 0.171 0.000 1.119 679 R CA 1.459 57.643 56.100 0.141 0.000 0.970 679 R CB -0.489 29.886 30.300 0.126 0.000 0.864 679 R HN 0.605 nan 8.270 nan 0.000 0.440 680 F N 1.664 121.652 119.950 0.064 0.000 2.134 680 F HA -0.159 4.379 4.527 0.018 0.000 0.299 680 F C 1.826 177.668 175.800 0.070 0.000 1.097 680 F CA 1.406 59.444 58.000 0.064 0.000 1.264 680 F CB -0.199 38.837 39.000 0.061 0.000 1.001 680 F HN -0.108 nan 8.300 nan 0.000 0.479 681 L N -0.359 120.924 121.223 0.101 0.000 2.083 681 L HA -0.245 4.105 4.340 0.017 0.000 0.209 681 L C 2.600 179.439 176.870 -0.053 0.000 1.083 681 L CA 1.008 55.838 54.840 -0.017 0.000 0.752 681 L CB -0.779 41.338 42.059 0.097 0.000 0.899 681 L HN 0.286 nan 8.230 nan 0.000 0.433 682 L N -0.289 120.948 121.223 0.024 0.000 1.961 682 L HA -0.252 4.099 4.340 0.017 0.000 0.210 682 L C 2.805 179.701 176.870 0.044 0.000 1.072 682 L CA 1.589 56.471 54.840 0.070 0.000 0.749 682 L CB -0.280 41.834 42.059 0.092 0.000 0.889 682 L HN 0.252 nan 8.230 nan 0.000 0.432 683 K N -0.565 119.832 120.400 -0.006 0.000 1.988 683 K HA -0.251 4.079 4.320 0.017 0.000 0.221 683 K C 2.110 178.665 176.600 -0.075 0.000 1.053 683 K CA 1.680 57.947 56.287 -0.033 0.000 0.959 683 K CB -0.220 32.255 32.500 -0.042 0.000 0.728 683 K HN 0.224 nan 8.250 nan 0.000 0.447 684 R N -0.220 120.141 120.500 -0.232 0.000 2.105 684 R HA -0.106 4.245 4.340 0.017 0.000 0.239 684 R C 2.385 178.637 176.300 -0.079 0.000 1.135 684 R CA 1.443 57.406 56.100 -0.229 0.000 0.967 684 R CB -1.338 28.674 30.300 -0.480 0.000 0.861 684 R HN 0.480 nan 8.270 nan 0.000 0.442 685 G N 1.043 109.808 108.800 -0.059 0.000 2.446 685 G HA2 -0.221 3.750 3.960 0.017 0.000 0.217 685 G HA3 -0.221 3.750 3.960 0.017 0.000 0.217 685 G C 1.556 176.598 174.900 0.236 0.000 1.168 685 G CA 0.538 45.638 45.100 0.000 0.000 0.771 685 G HN 0.261 nan 8.290 nan 0.000 0.551 686 L N -0.324 121.060 121.223 0.268 0.000 2.313 686 L HA 0.154 4.504 4.340 0.017 0.000 0.214 686 L C 2.786 179.771 176.870 0.191 0.000 1.119 686 L CA 0.411 55.416 54.840 0.274 0.000 0.809 686 L CB -0.181 41.953 42.059 0.125 0.000 0.933 686 L HN 0.167 nan 8.230 nan 0.000 0.449 687 R N 0.415 120.995 120.500 0.134 0.000 2.193 687 R HA -0.052 4.299 4.340 0.017 0.000 0.213 687 R C 0.449 176.905 176.300 0.259 0.000 1.055 687 R CA 0.631 56.806 56.100 0.126 0.000 0.995 687 R CB 0.262 30.594 30.300 0.054 0.000 0.893 687 R HN 0.223 nan 8.270 nan 0.000 0.459 688 N N 0.416 119.262 118.700 0.244 0.000 2.533 688 N HA 0.065 4.816 4.740 0.017 0.000 0.289 688 N C -0.402 175.171 175.510 0.104 0.000 1.103 688 N CA -0.248 52.903 53.050 0.167 0.000 0.877 688 N CB 1.658 40.194 38.487 0.083 0.000 1.419 688 N HN -0.072 nan 8.380 nan 0.000 0.517 689 K N 1.766 122.143 120.400 -0.039 0.000 2.113 689 K HA -0.171 4.159 4.320 0.017 0.000 0.208 689 K C 1.693 178.210 176.600 -0.140 0.000 1.047 689 K CA 1.207 57.387 56.287 -0.179 0.000 0.928 689 K CB 0.241 32.408 32.500 -0.554 0.000 0.716 689 K HN 0.508 nan 8.250 nan 0.000 0.446 690 R N 1.173 121.580 120.500 -0.155 0.000 2.070 690 R HA -0.124 4.226 4.340 0.017 0.000 0.232 690 R C 2.326 178.650 176.300 0.039 0.000 1.138 690 R CA 1.518 57.548 56.100 -0.117 0.000 0.936 690 R CB -0.346 29.804 30.300 -0.250 0.000 0.839 690 R HN 0.100 nan 8.270 nan 0.000 0.429 691 I N 0.269 120.833 120.570 -0.010 0.000 2.145 691 I HA -0.295 3.886 4.170 0.017 0.000 0.244 691 I C 2.503 178.602 176.117 -0.029 0.000 1.075 691 I CA 1.724 63.023 61.300 -0.002 0.000 1.332 691 I CB -0.837 37.145 38.000 -0.030 0.000 1.033 691 I HN 0.483 nan 8.210 nan 0.000 0.410 692 G N -0.388 108.412 108.800 -0.000 0.000 2.469 692 G HA2 -0.373 3.597 3.960 0.017 0.000 0.219 692 G HA3 -0.373 3.597 3.960 0.017 0.000 0.219 692 G C 1.464 176.353 174.900 -0.019 0.000 1.150 692 G CA 1.578 46.640 45.100 -0.064 0.000 0.763 692 G HN 0.498 nan 8.290 nan 0.000 0.561 693 H N -0.339 118.748 119.070 0.029 0.000 2.293 693 H HA 0.002 4.568 4.556 0.017 0.000 0.300 693 H C 2.208 177.482 175.328 -0.091 0.000 1.082 693 H CA 1.756 57.841 56.048 0.061 0.000 1.308 693 H CB -0.297 29.360 29.762 -0.175 0.000 1.375 693 H HN 0.353 nan 8.280 nan 0.000 0.495 694 F N -0.642 119.235 119.950 -0.121 0.000 2.234 694 F HA -0.079 4.458 4.527 0.018 0.000 0.299 694 F C 2.285 177.586 175.800 -0.831 0.000 1.087 694 F CA 0.560 58.212 58.000 -0.580 0.000 1.340 694 F CB -0.243 38.325 39.000 -0.721 0.000 1.031 694 F HN 0.226 nan 8.300 nan 0.000 0.500 695 L N -0.286 120.732 121.223 -0.342 0.000 2.012 695 L HA -0.231 4.119 4.340 0.017 0.000 0.210 695 L C 2.244 178.917 176.870 -0.328 0.000 1.073 695 L CA 1.683 56.339 54.840 -0.307 0.000 0.748 695 L CB -1.126 40.696 42.059 -0.395 0.000 0.891 695 L HN 0.195 nan 8.230 nan 0.000 0.431 696 F N -0.859 118.728 119.950 -0.605 0.000 2.043 696 F HA -0.305 4.232 4.527 0.017 0.000 0.297 696 F C 1.968 177.394 175.800 -0.623 0.000 1.121 696 F CA 2.177 59.739 58.000 -0.730 0.000 1.199 696 F CB -0.733 37.550 39.000 -1.194 0.000 0.968 696 F HN 0.132 nan 8.300 nan 0.000 0.478 697 W N -0.221 120.907 121.300 -0.287 0.000 2.363 697 W HA -0.141 4.529 4.660 0.017 0.000 0.296 697 W C 2.491 178.966 176.519 -0.074 0.000 1.212 697 W CA 1.274 58.478 57.345 -0.234 0.000 1.260 697 W CB -0.765 28.602 29.460 -0.154 0.000 1.131 697 W HN 0.056 nan 8.180 nan 0.000 0.530 698 F N -0.248 119.705 119.950 0.005 0.000 2.113 698 F HA -0.233 4.305 4.527 0.017 0.000 0.297 698 F C 2.180 177.809 175.800 -0.286 0.000 1.103 698 F CA 0.645 58.589 58.000 -0.093 0.000 1.248 698 F CB -0.832 38.123 39.000 -0.076 0.000 0.999 698 F HN -0.202 nan 8.300 nan 0.000 0.475 699 L N -0.103 121.011 121.223 -0.181 0.000 2.056 699 L HA -0.200 4.151 4.340 0.017 0.000 0.207 699 L C 2.534 179.188 176.870 -0.361 0.000 1.078 699 L CA 1.173 55.782 54.840 -0.385 0.000 0.749 699 L CB -0.608 41.268 42.059 -0.305 0.000 0.901 699 L HN 0.056 nan 8.230 nan 0.000 0.433 700 R N -0.450 119.790 120.500 -0.433 0.000 2.120 700 R HA -0.177 4.173 4.340 0.017 0.000 0.234 700 R C 2.568 178.763 176.300 -0.175 0.000 1.123 700 R CA 1.429 57.279 56.100 -0.418 0.000 0.975 700 R CB -0.141 29.694 30.300 -0.775 0.000 0.866 700 R HN 0.224 nan 8.270 nan 0.000 0.446 701 S N 0.251 115.899 115.700 -0.087 0.000 2.368 701 S HA -0.129 4.351 4.470 0.017 0.000 0.225 701 S C 1.555 176.115 174.600 -0.066 0.000 1.030 701 S CA 1.251 59.442 58.200 -0.015 0.000 0.999 701 S CB -0.038 63.179 63.200 0.028 0.000 0.844 701 S HN 0.370 nan 8.310 nan 0.000 0.459 702 E N 0.652 120.761 120.200 -0.152 0.000 2.158 702 E HA 0.059 4.420 4.350 0.017 0.000 0.191 702 E C 2.093 178.693 176.600 0.000 0.000 0.982 702 E CA 0.646 56.981 56.400 -0.109 0.000 0.823 702 E CB -0.330 29.191 29.700 -0.299 0.000 0.766 702 E HN 0.597 nan 8.360 nan 0.000 0.468 703 I N 1.309 121.855 120.570 -0.040 0.000 2.286 703 I HA -0.225 3.955 4.170 0.017 0.000 0.248 703 I C 2.350 178.472 176.117 0.009 0.000 1.115 703 I CA 1.103 62.396 61.300 -0.013 0.000 1.392 703 I CB -0.214 37.748 38.000 -0.064 0.000 1.065 703 I HN -0.022 nan 8.210 nan 0.000 0.418 704 A N -0.658 122.164 122.820 0.003 0.000 2.119 704 A HA -0.145 4.185 4.320 0.017 0.000 0.216 704 A C 2.179 179.790 177.584 0.045 0.000 1.152 704 A CA 1.228 53.285 52.037 0.032 0.000 0.708 704 A CB -0.154 18.865 19.000 0.033 0.000 0.805 704 A HN 0.493 nan 8.150 nan 0.000 0.460 705 Q N -1.120 118.702 119.800 0.038 0.000 2.254 705 Q HA 0.132 4.482 4.340 0.017 0.000 0.259 705 Q C -0.106 175.926 176.000 0.054 0.000 0.815 705 Q CA 0.610 56.436 55.803 0.037 0.000 0.961 705 Q CB 0.830 29.577 28.738 0.014 0.000 1.140 705 Q HN 0.558 nan 8.270 nan 0.000 0.502 706 S N -0.762 114.982 115.700 0.073 0.000 2.594 706 S HA 0.424 4.904 4.470 0.017 0.000 0.296 706 S C 0.124 174.775 174.600 0.085 0.000 1.124 706 S CA -0.898 57.364 58.200 0.102 0.000 1.011 706 S CB 1.496 64.770 63.200 0.124 0.000 1.016 706 S HN 0.285 nan 8.310 nan 0.000 0.485 707 R N 1.459 121.998 120.500 0.065 0.000 2.235 707 R HA -0.011 4.339 4.340 0.017 0.000 0.213 707 R C 0.782 177.003 176.300 -0.132 0.000 1.059 707 R CA 1.030 57.160 56.100 0.051 0.000 0.997 707 R CB -0.543 29.899 30.300 0.236 0.000 0.884 707 R HN 0.763 nan 8.270 nan 0.000 0.462 708 H N -0.737 118.052 119.070 -0.469 0.000 2.421 708 H HA -0.096 4.470 4.556 0.017 0.000 0.298 708 H C 0.590 175.431 175.328 -0.811 0.000 1.087 708 H CA 1.475 57.023 56.048 -0.834 0.000 1.330 708 H CB 0.029 29.222 29.762 -0.949 0.000 1.388 708 H HN 0.264 nan 8.280 nan 0.000 0.526 709 Y N -0.445 119.826 120.300 -0.048 0.000 2.610 709 Y HA 0.028 4.589 4.550 0.017 0.000 0.254 709 Y C 1.966 177.780 175.900 -0.143 0.000 1.110 709 Y CA -0.306 57.700 58.100 -0.158 0.000 1.238 709 Y CB 0.460 38.773 38.460 -0.244 0.000 1.322 709 Y HN 0.184 nan 8.280 nan 0.000 0.547 710 Q N 0.738 120.538 119.800 -0.000 0.000 2.197 710 Q HA -0.273 4.077 4.340 0.017 0.000 0.207 710 Q C 1.065 176.827 176.000 -0.397 0.000 0.984 710 Q CA 2.188 57.909 55.803 -0.137 0.000 0.869 710 Q CB -0.282 28.331 28.738 -0.208 0.000 0.906 710 Q HN 0.568 nan 8.270 nan 0.000 0.426 711 Q N 0.557 120.101 119.800 -0.426 0.000 2.049 711 Q HA -0.100 4.251 4.340 0.017 0.000 0.198 711 Q C 2.256 178.063 176.000 -0.322 0.000 0.971 711 Q CA 1.265 56.791 55.803 -0.463 0.000 0.833 711 Q CB -0.209 28.350 28.738 -0.298 0.000 0.896 711 Q HN 0.390 nan 8.270 nan 0.000 0.434 712 R N 0.633 120.963 120.500 -0.284 0.000 2.082 712 R HA -0.160 4.190 4.340 0.017 0.000 0.234 712 R C 2.032 178.231 176.300 -0.168 0.000 1.136 712 R CA 1.681 57.625 56.100 -0.260 0.000 0.935 712 R CB -0.309 29.891 30.300 -0.166 0.000 0.842 712 R HN 0.221 nan 8.270 nan 0.000 0.430 713 F N 0.352 120.262 119.950 -0.067 0.000 2.216 713 F HA -0.117 4.420 4.527 0.017 0.000 0.300 713 F C 2.558 178.289 175.800 -0.115 0.000 1.085 713 F CA 0.494 58.444 58.000 -0.083 0.000 1.326 713 F CB -0.154 38.792 39.000 -0.089 0.000 1.027 713 F HN 0.266 nan 8.300 nan 0.000 0.497 714 A N -0.148 122.679 122.820 0.012 0.000 1.898 714 A HA -0.122 4.209 4.320 0.017 0.000 0.216 714 A C 2.273 179.852 177.584 -0.008 0.000 1.181 714 A CA 1.589 53.609 52.037 -0.029 0.000 0.620 714 A CB -1.102 17.851 19.000 -0.078 0.000 0.819 714 A HN 0.162 nan 8.150 nan 0.000 0.442 715 V N 0.233 120.127 119.914 -0.033 0.000 2.407 715 V HA -0.255 3.876 4.120 0.017 0.000 0.248 715 V C 2.380 178.483 176.094 0.014 0.000 1.055 715 V CA 1.990 64.276 62.300 -0.023 0.000 1.049 715 V CB -0.621 31.158 31.823 -0.074 0.000 0.662 715 V HN 0.575 nan 8.190 nan 0.000 0.455 716 I N -0.865 119.730 120.570 0.042 0.000 2.252 716 I HA -0.224 3.956 4.170 0.017 0.000 0.245 716 I C 2.347 178.513 176.117 0.081 0.000 1.102 716 I CA 1.329 62.677 61.300 0.080 0.000 1.385 716 I CB -0.262 37.817 38.000 0.132 0.000 1.064 716 I HN 0.261 nan 8.210 nan 0.000 0.414 717 L N 0.735 121.986 121.223 0.047 0.000 2.056 717 L HA -0.223 4.127 4.340 0.017 0.000 0.207 717 L C 2.628 179.533 176.870 0.059 0.000 1.078 717 L CA 1.699 56.552 54.840 0.022 0.000 0.749 717 L CB -0.390 41.611 42.059 -0.097 0.000 0.901 717 L HN 0.370 nan 8.230 nan 0.000 0.433 718 E N -0.039 120.172 120.200 0.017 0.000 2.077 718 E HA -0.242 4.119 4.350 0.017 0.000 0.193 718 E C 2.036 178.643 176.600 0.010 0.000 0.989 718 E CA 1.202 57.595 56.400 -0.011 0.000 0.800 718 E CB 0.070 29.751 29.700 -0.031 0.000 0.746 718 E HN 0.547 nan 8.360 nan 0.000 0.452 719 A N 0.689 123.534 122.820 0.042 0.000 1.883 719 A HA -0.233 4.098 4.320 0.017 0.000 0.217 719 A C 2.096 179.729 177.584 0.081 0.000 1.186 719 A CA 1.695 53.765 52.037 0.055 0.000 0.624 719 A CB -1.091 17.950 19.000 0.067 0.000 0.822 719 A HN 0.586 nan 8.150 nan 0.000 0.444 720 Y N 0.426 120.735 120.300 0.015 0.000 2.145 720 Y HA -0.154 4.406 4.550 0.017 0.000 0.286 720 Y C 1.951 177.884 175.900 0.055 0.000 1.145 720 Y CA 1.862 59.980 58.100 0.031 0.000 1.148 720 Y CB -0.417 38.055 38.460 0.020 0.000 0.981 720 Y HN 0.203 nan 8.280 nan 0.000 0.507 721 L N 0.002 121.160 121.223 -0.108 0.000 2.131 721 L HA -0.210 4.141 4.340 0.017 0.000 0.210 721 L C 2.389 179.195 176.870 -0.107 0.000 1.092 721 L CA 1.333 56.078 54.840 -0.159 0.000 0.759 721 L CB -0.445 41.608 42.059 -0.011 0.000 0.903 721 L HN 0.125 nan 8.230 nan 0.000 0.435 722 R N -0.384 120.087 120.500 -0.047 0.000 2.357 722 R HA -0.046 4.305 4.340 0.017 0.000 0.202 722 R C 1.408 177.720 176.300 0.020 0.000 1.047 722 R CA 0.755 56.895 56.100 0.067 0.000 1.034 722 R CB -0.066 30.272 30.300 0.063 0.000 0.875 722 R HN 0.401 nan 8.270 nan 0.000 0.473 723 G N -1.272 107.467 108.800 -0.102 0.000 3.738 723 G HA2 -0.080 3.891 3.960 0.017 0.000 0.241 723 G HA3 -0.080 3.891 3.960 0.017 0.000 0.241 723 G C 1.077 175.880 174.900 -0.162 0.000 1.068 723 G CA -0.063 44.970 45.100 -0.112 0.000 0.899 723 G HN 0.407 nan 8.290 nan 0.000 0.519 724 C N -0.373 118.760 119.300 -0.280 0.000 2.450 724 C HA 0.572 5.043 4.460 0.017 0.000 0.279 724 C C 1.478 176.495 174.990 0.046 0.000 1.335 724 C CA 0.340 59.238 59.018 -0.199 0.000 1.749 724 C CB -0.924 26.545 27.740 -0.452 0.000 1.963 724 C HN 1.364 nan 8.230 nan 0.000 0.501 725 G N -0.385 108.419 108.800 0.006 0.000 2.428 725 G HA2 0.231 4.201 3.960 0.017 0.000 0.681 725 G HA3 0.231 4.201 3.960 0.017 0.000 0.681 725 G C 0.260 175.172 174.900 0.020 0.000 1.340 725 G CA 0.352 45.473 45.100 0.036 0.000 0.915 725 G HN 0.909 nan 8.290 nan 0.000 0.645 726 T N -1.723 112.835 114.554 0.005 0.000 2.833 726 T HA 0.153 4.513 4.350 0.017 0.000 0.269 726 T C 2.600 177.303 174.700 0.005 0.000 1.054 726 T CA 2.471 64.575 62.100 0.007 0.000 1.135 726 T CB -0.253 68.601 68.868 -0.023 0.000 0.869 726 T HN 2.026 nan 8.240 nan 0.000 0.466 727 A N 1.748 124.553 122.820 -0.026 0.000 1.902 727 A HA 0.133 4.463 4.320 0.017 0.000 0.217 727 A C 2.561 180.093 177.584 -0.086 0.000 1.181 727 A CA 1.626 53.629 52.037 -0.057 0.000 0.623 727 A CB -0.679 18.276 19.000 -0.074 0.000 0.818 727 A HN 0.551 nan 8.150 nan 0.000 0.443 728 M N -0.889 118.630 119.600 -0.135 0.000 2.288 728 M HA 0.030 4.520 4.480 0.017 0.000 0.266 728 M C 2.104 178.196 176.300 -0.347 0.000 1.072 728 M CA 0.862 55.954 55.300 -0.347 0.000 1.132 728 M CB -0.551 31.880 32.600 -0.282 0.000 1.386 728 M HN 0.367 nan 8.290 nan 0.000 0.432 729 L N -0.636 120.571 121.223 -0.028 0.000 2.012 729 L HA -0.271 4.080 4.340 0.017 0.000 0.210 729 L C 2.623 179.529 176.870 0.060 0.000 1.073 729 L CA 1.800 56.703 54.840 0.105 0.000 0.748 729 L CB -0.990 41.156 42.059 0.144 0.000 0.891 729 L HN 0.358 nan 8.230 nan 0.000 0.431 730 H N -0.058 118.986 119.070 -0.044 0.000 2.352 730 H HA -0.215 4.351 4.556 0.017 0.000 0.299 730 H C 1.825 177.108 175.328 -0.074 0.000 1.097 730 H CA 2.258 58.282 56.048 -0.040 0.000 1.311 730 H CB 0.014 29.749 29.762 -0.045 0.000 1.377 730 H HN 0.259 nan 8.280 nan 0.000 0.504 731 D N -0.300 120.028 120.400 -0.120 0.000 2.084 731 D HA -0.151 4.500 4.640 0.017 0.000 0.194 731 D C 2.049 178.204 176.300 -0.242 0.000 0.990 731 D CA 1.543 55.405 54.000 -0.230 0.000 0.826 731 D CB -0.507 40.074 40.800 -0.364 0.000 0.971 731 D HN 0.427 nan 8.370 nan 0.000 0.453 732 F N 0.798 120.608 119.950 -0.232 0.000 2.095 732 F HA -0.227 4.311 4.527 0.017 0.000 0.298 732 F C 2.656 178.341 175.800 -0.191 0.000 1.104 732 F CA 1.120 58.882 58.000 -0.397 0.000 1.232 732 F CB -0.702 37.806 39.000 -0.821 0.000 0.987 732 F HN -0.068 nan 8.300 nan 0.000 0.475 733 T N -0.352 114.215 114.554 0.021 0.000 2.665 733 T HA -0.259 4.101 4.350 0.017 0.000 0.268 733 T C 1.923 176.598 174.700 -0.042 0.000 1.035 733 T CA 1.480 63.573 62.100 -0.013 0.000 1.151 733 T CB -0.384 68.451 68.868 -0.055 0.000 0.862 733 T HN 0.243 nan 8.240 nan 0.000 0.438 734 Q N 1.054 120.774 119.800 -0.132 0.000 2.045 734 Q HA -0.185 4.166 4.340 0.017 0.000 0.206 734 Q C 2.516 178.535 176.000 0.031 0.000 0.991 734 Q CA 1.754 57.511 55.803 -0.077 0.000 0.851 734 Q CB -0.456 28.226 28.738 -0.094 0.000 0.911 734 Q HN 0.683 nan 8.270 nan 0.000 0.418 735 Q N -0.190 119.680 119.800 0.116 0.000 2.084 735 Q HA -0.106 4.244 4.340 0.017 0.000 0.202 735 Q C 2.305 178.452 176.000 0.244 0.000 0.978 735 Q CA 1.451 57.391 55.803 0.227 0.000 0.844 735 Q CB -0.094 28.946 28.738 0.502 0.000 0.898 735 Q HN 0.158 nan 8.270 nan 0.000 0.426 736 V N 1.113 121.171 119.914 0.240 0.000 2.295 736 V HA -0.288 3.842 4.120 0.017 0.000 0.246 736 V C 2.235 178.400 176.094 0.118 0.000 1.049 736 V CA 1.818 64.249 62.300 0.218 0.000 1.024 736 V CB -0.660 31.256 31.823 0.155 0.000 0.648 736 V HN 0.379 nan 8.190 nan 0.000 0.447 737 Q N -0.340 119.494 119.800 0.057 0.000 2.045 737 Q HA -0.214 4.136 4.340 0.017 0.000 0.206 737 Q C 2.396 178.388 176.000 -0.013 0.000 0.991 737 Q CA 2.342 58.156 55.803 0.019 0.000 0.851 737 Q CB -0.465 28.275 28.738 0.002 0.000 0.911 737 Q HN 0.561 nan 8.270 nan 0.000 0.418 738 V N 2.168 122.036 119.914 -0.077 0.000 2.231 738 V HA -0.282 3.848 4.120 0.017 0.000 0.248 738 V C 2.354 178.383 176.094 -0.108 0.000 1.054 738 V CA 1.943 64.127 62.300 -0.193 0.000 1.015 738 V CB -0.922 30.530 31.823 -0.617 0.000 0.638 738 V HN 0.544 nan 8.190 nan 0.000 0.444 739 I N -0.140 120.428 120.570 -0.003 0.000 2.394 739 I HA -0.169 4.012 4.170 0.017 0.000 0.251 739 I C 2.184 178.358 176.117 0.094 0.000 1.136 739 I CA 1.771 63.165 61.300 0.156 0.000 1.425 739 I CB -1.017 37.175 38.000 0.320 0.000 1.079 739 I HN 0.468 nan 8.210 nan 0.000 0.425 740 E N 1.098 121.344 120.200 0.076 0.000 2.017 740 E HA -0.225 4.135 4.350 0.017 0.000 0.193 740 E C 2.364 178.959 176.600 -0.008 0.000 0.997 740 E CA 1.940 58.370 56.400 0.049 0.000 0.804 740 E CB -0.221 29.510 29.700 0.051 0.000 0.757 740 E HN 0.508 nan 8.360 nan 0.000 0.448 741 M N 0.400 119.985 119.600 -0.027 0.000 2.108 741 M HA -0.241 4.249 4.480 0.017 0.000 0.257 741 M C 2.373 178.608 176.300 -0.108 0.000 1.071 741 M CA 1.514 56.784 55.300 -0.049 0.000 1.093 741 M CB -0.396 32.181 32.600 -0.037 0.000 1.345 741 M HN 0.151 nan 8.290 nan 0.000 0.403 742 L N -0.728 120.376 121.223 -0.198 0.000 2.131 742 L HA -0.169 4.181 4.340 0.017 0.000 0.206 742 L C 2.531 179.109 176.870 -0.487 0.000 1.087 742 L CA 1.054 55.646 54.840 -0.413 0.000 0.767 742 L CB -0.425 41.203 42.059 -0.718 0.000 0.917 742 L HN 0.360 nan 8.230 nan 0.000 0.441 743 Q N 0.148 119.754 119.800 -0.324 0.000 2.119 743 Q HA -0.160 4.190 4.340 0.017 0.000 0.201 743 Q C 1.299 177.265 176.000 -0.056 0.000 0.972 743 Q CA 1.036 56.766 55.803 -0.121 0.000 0.847 743 Q CB 0.075 28.860 28.738 0.077 0.000 0.903 743 Q HN 0.369 nan 8.270 nan 0.000 0.433 744 K N 0.216 120.583 120.400 -0.055 0.000 2.743 744 K HA 0.007 4.337 4.320 0.017 0.000 0.219 744 K C 0.588 177.158 176.600 -0.051 0.000 1.003 744 K CA 0.089 56.356 56.287 -0.033 0.000 1.156 744 K CB 0.431 32.919 32.500 -0.019 0.000 0.932 744 K HN 0.035 nan 8.250 nan 0.000 0.490 745 V N -1.754 118.113 119.914 -0.078 0.000 3.229 745 V HA -0.109 4.021 4.120 0.017 0.000 0.239 745 V C 1.645 177.704 176.094 -0.059 0.000 1.390 745 V CA 0.495 62.753 62.300 -0.070 0.000 1.231 745 V CB 0.876 32.645 31.823 -0.090 0.000 1.025 745 V HN 0.207 nan 8.190 nan 0.000 0.461 746 T N 1.860 116.374 114.554 -0.067 0.000 2.881 746 T HA -0.090 4.270 4.350 0.017 0.000 0.270 746 T C 1.778 176.447 174.700 -0.051 0.000 1.068 746 T CA 1.645 63.736 62.100 -0.015 0.000 1.131 746 T CB -0.218 68.687 68.868 0.061 0.000 0.871 746 T HN 0.263 nan 8.240 nan 0.000 0.479 747 L N 1.232 122.408 121.223 -0.078 0.000 1.950 747 L HA -0.080 4.270 4.340 0.017 0.000 0.210 747 L C 2.607 179.419 176.870 -0.097 0.000 1.079 747 L CA 1.341 56.095 54.840 -0.144 0.000 0.754 747 L CB -0.784 41.221 42.059 -0.090 0.000 0.889 747 L HN 0.098 nan 8.230 nan 0.000 0.433 748 D N 0.501 120.867 120.400 -0.057 0.000 2.170 748 D HA -0.234 4.416 4.640 0.017 0.000 0.193 748 D C 2.105 178.387 176.300 -0.029 0.000 1.004 748 D CA 1.598 55.576 54.000 -0.036 0.000 0.860 748 D CB -0.410 40.375 40.800 -0.025 0.000 0.931 748 D HN 0.230 nan 8.370 nan 0.000 0.448 749 I N 0.738 121.293 120.570 -0.025 0.000 2.252 749 I HA -0.190 3.990 4.170 0.017 0.000 0.245 749 I C 2.340 178.453 176.117 -0.007 0.000 1.102 749 I CA 1.059 62.354 61.300 -0.008 0.000 1.385 749 I CB -0.231 37.771 38.000 0.003 0.000 1.064 749 I HN -0.087 nan 8.210 nan 0.000 0.414 750 K N 0.318 120.701 120.400 -0.027 0.000 2.209 750 K HA -0.133 4.197 4.320 0.017 0.000 0.204 750 K C 1.859 178.449 176.600 -0.016 0.000 1.048 750 K CA 1.540 57.811 56.287 -0.026 0.000 0.940 750 K CB -0.045 32.403 32.500 -0.086 0.000 0.729 750 K HN 0.447 nan 8.250 nan 0.000 0.451 751 S N -0.138 115.546 115.700 -0.026 0.000 2.631 751 S HA 0.087 4.568 4.470 0.017 0.000 0.217 751 S C 1.318 175.919 174.600 0.002 0.000 0.958 751 S CA -0.103 58.089 58.200 -0.013 0.000 0.920 751 S CB 0.021 63.208 63.200 -0.022 0.000 0.776 751 S HN 0.233 nan 8.310 nan 0.000 0.517 752 L N 1.184 122.411 121.223 0.007 0.000 2.592 752 L HA 0.356 4.706 4.340 0.017 0.000 0.227 752 L C 0.687 177.571 176.870 0.022 0.000 1.127 752 L CA 0.049 54.897 54.840 0.012 0.000 0.884 752 L CB 0.349 42.414 42.059 0.011 0.000 1.065 752 L HN 0.362 nan 8.230 nan 0.000 0.457 753 S N -1.607 114.112 115.700 0.031 0.000 2.561 753 S HA 0.463 4.943 4.470 0.017 0.000 0.292 753 S C 0.338 174.974 174.600 0.060 0.000 1.107 753 S CA -0.116 58.110 58.200 0.043 0.000 0.969 753 S CB 1.161 64.392 63.200 0.052 0.000 1.150 753 S HN 0.118 nan 8.310 nan 0.000 0.451 754 A N 3.554 126.406 122.820 0.054 0.000 1.840 754 A HA 0.208 4.538 4.320 0.017 0.000 0.214 754 A C 1.538 179.186 177.584 0.107 0.000 1.198 754 A CA 1.032 53.107 52.037 0.065 0.000 0.608 754 A CB -0.175 18.854 19.000 0.047 0.000 0.839 754 A HN 0.719 nan 8.150 nan 0.000 0.443 755 E N -2.008 118.255 120.200 0.104 0.000 2.603 755 E HA 0.074 4.434 4.350 0.017 0.000 0.224 755 E C -0.159 176.463 176.600 0.037 0.000 0.896 755 E CA 0.009 56.502 56.400 0.155 0.000 1.224 755 E CB 0.598 30.360 29.700 0.102 0.000 1.206 755 E HN 0.290 nan 8.360 nan 0.000 0.576 756 K N 2.039 122.431 120.400 -0.013 0.000 2.278 756 K HA 0.035 4.366 4.320 0.017 0.000 0.237 756 K C -0.908 175.656 176.600 -0.060 0.000 1.229 756 K CA -0.332 55.886 56.287 -0.115 0.000 1.155 756 K CB -1.413 31.051 32.500 -0.061 0.000 1.590 756 K HN -0.053 nan 8.250 nan 0.000 0.290 757 Y N 0.268 120.579 120.300 0.017 0.000 2.496 757 Y HA 0.370 4.931 4.550 0.017 0.000 0.334 757 Y C -0.280 175.630 175.900 0.017 0.000 1.080 757 Y CA -1.009 57.102 58.100 0.018 0.000 1.355 757 Y CB 0.408 38.881 38.460 0.021 0.000 1.193 757 Y HN 0.462 nan 8.280 nan 0.000 0.523 758 D N 2.187 122.666 120.400 0.131 0.000 2.198 758 D HA 0.123 4.773 4.640 0.017 0.000 0.147 758 D C -2.042 174.292 176.300 0.057 0.000 1.149 758 D CA -0.453 53.586 54.000 0.066 0.000 1.107 758 D CB 0.393 41.201 40.800 0.014 0.000 2.198 758 D HN 0.434 nan 8.370 nan 0.000 0.584 759 V N 3.746 123.693 119.914 0.054 0.000 2.338 759 V HA 0.383 4.514 4.120 0.017 0.000 0.255 759 V C 1.082 177.189 176.094 0.022 0.000 1.082 759 V CA -0.184 62.140 62.300 0.039 0.000 0.951 759 V CB 0.159 32.003 31.823 0.036 0.000 1.102 759 V HN 0.645 nan 8.190 nan 0.000 0.489 760 S N 3.390 119.101 115.700 0.019 0.000 2.608 760 S HA 0.132 4.612 4.470 0.017 0.000 0.261 760 S C 1.644 176.248 174.600 0.008 0.000 1.314 760 S CA 0.051 58.258 58.200 0.011 0.000 0.992 760 S CB 1.209 64.414 63.200 0.009 0.000 0.935 760 S HN 0.939 nan 8.310 nan 0.000 0.564 761 S N 0.197 115.900 115.700 0.004 0.000 2.383 761 S HA -0.276 4.205 4.470 0.017 0.000 0.229 761 S C 1.840 176.442 174.600 0.004 0.000 1.030 761 S CA 1.357 59.559 58.200 0.003 0.000 1.002 761 S CB -0.975 62.226 63.200 0.001 0.000 0.829 761 S HN 0.818 nan 8.310 nan 0.000 0.467 762 Q N 0.454 120.256 119.800 0.005 0.000 2.248 762 Q HA -0.112 4.238 4.340 0.017 0.000 0.208 762 Q C 1.961 177.965 176.000 0.007 0.000 0.984 762 Q CA 1.844 57.650 55.803 0.005 0.000 0.875 762 Q CB -0.250 28.491 28.738 0.005 0.000 0.910 762 Q HN 0.641 nan 8.270 nan 0.000 0.433 763 V N 0.077 119.997 119.914 0.010 0.000 2.331 763 V HA -0.199 3.931 4.120 0.017 0.000 0.242 763 V C 2.084 178.185 176.094 0.012 0.000 1.034 763 V CA 1.403 63.711 62.300 0.013 0.000 1.027 763 V CB -0.419 31.416 31.823 0.019 0.000 0.667 763 V HN 0.336 nan 8.190 nan 0.000 0.457 764 I N 0.429 121.005 120.570 0.010 0.000 2.361 764 I HA -0.164 4.016 4.170 0.017 0.000 0.251 764 I C 2.447 178.568 176.117 0.007 0.000 1.133 764 I CA 1.429 62.734 61.300 0.009 0.000 1.413 764 I CB -0.613 37.388 38.000 0.002 0.000 1.073 764 I HN 0.165 nan 8.210 nan 0.000 0.424 765 S N 0.172 115.875 115.700 0.005 0.000 2.371 765 S HA -0.210 4.271 4.470 0.017 0.000 0.224 765 S C 2.037 176.639 174.600 0.004 0.000 1.029 765 S CA 1.171 59.374 58.200 0.004 0.000 0.978 765 S CB -0.268 62.934 63.200 0.003 0.000 0.833 765 S HN 0.475 nan 8.310 nan 0.000 0.466 766 Q N 0.984 120.786 119.800 0.005 0.000 2.170 766 Q HA 0.022 4.373 4.340 0.017 0.000 0.203 766 Q C 2.011 178.013 176.000 0.003 0.000 0.976 766 Q CA 0.874 56.679 55.803 0.003 0.000 0.858 766 Q CB -0.271 28.469 28.738 0.003 0.000 0.907 766 Q HN 0.482 nan 8.270 nan 0.000 0.433 767 L N 0.290 121.517 121.223 0.006 0.000 1.989 767 L HA -0.258 4.092 4.340 0.017 0.000 0.211 767 L C 1.976 178.849 176.870 0.005 0.000 1.071 767 L CA 1.761 56.605 54.840 0.008 0.000 0.749 767 L CB -0.210 41.860 42.059 0.017 0.000 0.890 767 L HN 0.265 nan 8.230 nan 0.000 0.431 768 K N -0.913 119.490 120.400 0.006 0.000 2.148 768 K HA -0.214 4.116 4.320 0.017 0.000 0.204 768 K C 2.060 178.661 176.600 0.001 0.000 1.050 768 K CA 0.941 57.230 56.287 0.004 0.000 0.942 768 K CB -0.152 32.351 32.500 0.005 0.000 0.724 768 K HN 0.404 nan 8.250 nan 0.000 0.446 769 Q N 1.324 121.125 119.800 0.002 0.000 2.084 769 Q HA -0.160 4.190 4.340 0.017 0.000 0.202 769 Q C 2.007 178.007 176.000 0.000 0.000 0.978 769 Q CA 1.384 57.188 55.803 0.002 0.000 0.844 769 Q CB 0.169 28.908 28.738 0.002 0.000 0.898 769 Q HN 0.098 nan 8.270 nan 0.000 0.426 770 K N 0.557 120.955 120.400 -0.002 0.000 2.032 770 K HA -0.115 4.215 4.320 0.017 0.000 0.209 770 K C 2.305 178.903 176.600 -0.005 0.000 1.048 770 K CA 0.992 57.276 56.287 -0.005 0.000 0.927 770 K CB -0.511 31.982 32.500 -0.010 0.000 0.712 770 K HN 0.262 nan 8.250 nan 0.000 0.441 771 L N 1.058 122.277 121.223 -0.007 0.000 2.017 771 L HA -0.200 4.150 4.340 0.017 0.000 0.208 771 L C 2.490 179.360 176.870 0.001 0.000 1.073 771 L CA 1.688 56.523 54.840 -0.008 0.000 0.745 771 L CB -0.653 41.395 42.059 -0.019 0.000 0.894 771 L HN 0.328 nan 8.230 nan 0.000 0.432 772 E N 0.115 120.316 120.200 0.002 0.000 2.204 772 E HA -0.241 4.120 4.350 0.017 0.000 0.194 772 E C 1.820 178.427 176.600 0.011 0.000 0.989 772 E CA 1.249 57.654 56.400 0.007 0.000 0.824 772 E CB -0.497 29.206 29.700 0.006 0.000 0.756 772 E HN 0.566 nan 8.360 nan 0.000 0.477 773 N N 1.014 119.719 118.700 0.008 0.000 2.135 773 N HA -0.133 4.618 4.740 0.017 0.000 0.186 773 N C 2.099 177.618 175.510 0.013 0.000 1.027 773 N CA 0.747 53.803 53.050 0.010 0.000 0.849 773 N CB -0.029 38.461 38.487 0.006 0.000 1.002 773 N HN 0.216 nan 8.380 nan 0.000 0.425 774 L N 1.213 122.444 121.223 0.013 0.000 2.083 774 L HA -0.188 4.162 4.340 0.017 0.000 0.209 774 L C 2.767 179.657 176.870 0.034 0.000 1.083 774 L CA 1.201 56.053 54.840 0.019 0.000 0.752 774 L CB -0.383 41.685 42.059 0.014 0.000 0.899 774 L HN 0.288 nan 8.230 nan 0.000 0.433 775 Q N -0.048 119.773 119.800 0.036 0.000 2.077 775 Q HA -0.248 4.102 4.340 0.017 0.000 0.206 775 Q C 1.879 177.907 176.000 0.048 0.000 0.989 775 Q CA 2.175 58.007 55.803 0.049 0.000 0.853 775 Q CB -0.026 28.735 28.738 0.038 0.000 0.907 775 Q HN 0.425 nan 8.270 nan 0.000 0.418 776 N N -1.040 117.681 118.700 0.035 0.000 2.047 776 N HA -0.041 4.709 4.740 0.017 0.000 0.193 776 N C 0.765 176.295 175.510 0.034 0.000 1.055 776 N CA 1.838 54.907 53.050 0.032 0.000 0.847 776 N CB -0.140 38.362 38.487 0.024 0.000 1.038 776 N HN 0.089 nan 8.380 nan 0.000 0.427 777 S N -0.880 114.837 115.700 0.029 0.000 2.749 777 S HA 0.275 4.756 4.470 0.017 0.000 0.246 777 S C 0.385 175.001 174.600 0.027 0.000 1.023 777 S CA -0.322 57.894 58.200 0.027 0.000 1.012 777 S CB 0.848 64.061 63.200 0.022 0.000 0.942 777 S HN 0.222 nan 8.310 nan 0.000 0.531 778 Q N 0.052 119.870 119.800 0.030 0.000 2.534 778 Q HA 0.403 4.754 4.340 0.017 0.000 0.207 778 Q C -0.023 175.998 176.000 0.035 0.000 0.735 778 Q CA -0.251 55.569 55.803 0.028 0.000 0.904 778 Q CB -0.005 28.744 28.738 0.020 0.000 1.294 778 Q HN 0.310 nan 8.270 nan 0.000 0.553 779 L N 3.978 125.228 121.223 0.045 0.000 2.462 779 L HA 0.232 4.582 4.340 0.017 0.000 0.272 779 L C -2.243 174.677 176.870 0.085 0.000 1.166 779 L CA -1.622 53.256 54.840 0.064 0.000 0.880 779 L CB 0.248 42.361 42.059 0.090 0.000 1.142 779 L HN 0.011 nan 8.230 nan 0.000 0.473 780 P HA 0.012 nan 4.420 nan 0.000 0.270 780 P C 0.369 177.749 177.300 0.134 0.000 1.227 780 P CA -0.235 62.922 63.100 0.096 0.000 0.788 780 P CB 0.505 32.257 31.700 0.087 0.000 0.926 781 E N 0.066 120.332 120.200 0.111 0.000 2.023 781 E HA -0.086 4.274 4.350 0.017 0.000 0.196 781 E C 0.479 177.149 176.600 0.117 0.000 1.003 781 E CA 1.669 58.131 56.400 0.103 0.000 0.809 781 E CB -0.341 29.406 29.700 0.078 0.000 0.755 781 E HN 0.611 nan 8.360 nan 0.000 0.449 782 S N -0.229 115.535 115.700 0.108 0.000 2.546 782 S HA 0.552 5.032 4.470 0.017 0.000 0.272 782 S C -0.676 173.974 174.600 0.083 0.000 1.140 782 S CA -1.086 57.140 58.200 0.044 0.000 0.920 782 S CB 1.020 64.205 63.200 -0.025 0.000 1.083 782 S HN 0.178 nan 8.310 nan 0.000 0.476 783 F N 0.034 119.928 119.950 -0.094 0.000 2.563 783 F HA 0.719 5.257 4.527 0.017 0.000 0.316 783 F C -0.094 175.609 175.800 -0.162 0.000 1.076 783 F CA -1.312 56.619 58.000 -0.116 0.000 0.921 783 F CB 1.292 40.225 39.000 -0.112 0.000 1.209 783 F HN 0.553 nan 8.300 nan 0.000 0.462 784 R N 2.123 122.600 120.500 -0.038 0.000 2.489 784 R HA 0.298 4.648 4.340 0.017 0.000 0.287 784 R C -0.791 175.446 176.300 -0.106 0.000 1.053 784 R CA -0.575 55.428 56.100 -0.162 0.000 1.036 784 R CB 1.206 31.426 30.300 -0.133 0.000 0.966 784 R HN 0.633 nan 8.270 nan 0.000 0.432 785 V N 7.193 126.900 119.914 -0.346 0.000 2.434 785 V HA -0.022 4.108 4.120 0.017 0.000 0.281 785 V C -1.337 174.520 176.094 -0.395 0.000 1.005 785 V CA -0.736 61.312 62.300 -0.419 0.000 1.089 785 V CB 0.876 32.319 31.823 -0.634 0.000 0.978 785 V HN 0.643 nan 8.190 nan 0.000 0.474 786 P HA -0.156 nan 4.420 nan 0.000 0.218 786 P C 1.112 178.270 177.300 -0.237 0.000 1.148 786 P CA 1.435 64.354 63.100 -0.302 0.000 0.822 786 P CB -0.003 31.192 31.700 -0.842 0.000 0.784 787 Y N -2.574 117.654 120.300 -0.120 0.000 2.482 787 Y HA 0.381 4.942 4.550 0.017 0.000 0.270 787 Y C 0.109 176.099 175.900 0.151 0.000 1.152 787 Y CA -0.467 57.670 58.100 0.062 0.000 1.292 787 Y CB -0.538 37.963 38.460 0.068 0.000 1.070 787 Y HN -0.185 nan 8.280 nan 0.000 0.528 788 D N 1.462 121.792 120.400 -0.117 0.000 2.586 788 D HA 0.208 4.858 4.640 0.017 0.000 0.254 788 D C -2.371 173.773 176.300 -0.260 0.000 1.248 788 D CA -2.209 51.774 54.000 -0.028 0.000 0.843 788 D CB 1.268 42.107 40.800 0.064 0.000 1.332 788 D HN -0.069 nan 8.370 nan 0.000 0.523 789 P HA -0.060 nan 4.420 nan 0.000 0.226 789 P C 1.366 178.454 177.300 -0.354 0.000 1.146 789 P CA 0.675 63.407 63.100 -0.615 0.000 0.773 789 P CB 0.341 31.452 31.700 -0.982 0.000 0.772 790 G N 0.950 109.622 108.800 -0.213 0.000 2.484 790 G HA2 -0.157 3.813 3.960 0.017 0.000 0.215 790 G HA3 -0.157 3.813 3.960 0.017 0.000 0.215 790 G C 0.644 175.418 174.900 -0.210 0.000 1.219 790 G CA 0.124 45.125 45.100 -0.166 0.000 0.791 790 G HN 0.234 nan 8.290 nan 0.000 0.550 791 L N 1.270 122.369 121.223 -0.206 0.000 2.559 791 L HA 0.127 4.477 4.340 0.017 0.000 0.274 791 L C 0.308 177.001 176.870 -0.295 0.000 1.205 791 L CA 0.075 54.778 54.840 -0.228 0.000 0.907 791 L CB 0.605 42.542 42.059 -0.202 0.000 1.153 791 L HN 0.030 nan 8.230 nan 0.000 0.490 792 K N 3.816 124.049 120.400 -0.278 0.000 2.281 792 K HA 0.482 4.812 4.320 0.017 0.000 0.272 792 K C -0.376 175.991 176.600 -0.388 0.000 1.048 792 K CA -0.361 55.731 56.287 -0.324 0.000 0.898 792 K CB 1.692 34.058 32.500 -0.223 0.000 1.128 792 K HN 0.636 nan 8.250 nan 0.000 0.460 793 A N 2.851 125.262 122.820 -0.683 0.000 2.354 793 A HA 0.592 4.922 4.320 0.017 0.000 0.269 793 A C 0.699 177.992 177.584 -0.484 0.000 1.109 793 A CA 0.037 51.629 52.037 -0.742 0.000 0.800 793 A CB 0.765 18.860 19.000 -1.508 0.000 1.045 793 A HN 0.788 nan 8.150 nan 0.000 0.489 794 G N 0.243 108.962 108.800 -0.136 0.000 3.392 794 G HA2 0.563 4.534 3.960 0.017 0.000 0.188 794 G HA3 0.563 4.534 3.960 0.017 0.000 0.188 794 G C 0.453 175.495 174.900 0.236 0.000 1.485 794 G CA 0.180 45.299 45.100 0.031 0.000 0.943 794 G HN 1.392 nan 8.290 nan 0.000 0.627 795 A N -0.576 122.362 122.820 0.196 0.000 2.371 795 A HA 0.586 4.916 4.320 0.017 0.000 0.257 795 A C 0.244 177.942 177.584 0.190 0.000 1.089 795 A CA -0.365 51.793 52.037 0.201 0.000 0.794 795 A CB 0.053 19.117 19.000 0.106 0.000 1.029 795 A HN 0.492 nan 8.150 nan 0.000 0.488 796 L N 0.953 122.227 121.223 0.084 0.000 2.506 796 L HA 0.205 4.555 4.340 0.017 0.000 0.281 796 L C 0.987 177.798 176.870 -0.099 0.000 1.228 796 L CA 0.242 54.962 54.840 -0.200 0.000 0.850 796 L CB 0.741 42.688 42.059 -0.187 0.000 1.110 796 L HN 0.781 nan 8.230 nan 0.000 0.496 797 A N 4.091 126.831 122.820 -0.133 0.000 2.969 797 A HA 0.363 4.694 4.320 0.017 0.000 0.328 797 A C 0.953 178.516 177.584 -0.035 0.000 1.355 797 A CA -0.507 51.505 52.037 -0.042 0.000 1.018 797 A CB -0.213 18.786 19.000 -0.002 0.000 1.159 797 A HN 0.738 nan 8.150 nan 0.000 0.505 798 I N 0.796 121.346 120.570 -0.033 0.000 2.143 798 I HA -0.362 3.818 4.170 0.017 0.000 0.245 798 I C 2.204 178.323 176.117 0.003 0.000 1.068 798 I CA 2.255 63.542 61.300 -0.020 0.000 1.326 798 I CB -0.298 37.695 38.000 -0.011 0.000 1.028 798 I HN 0.668 nan 8.210 nan 0.000 0.412 799 E N 0.709 120.915 120.200 0.010 0.000 2.209 799 E HA -0.219 4.141 4.350 0.017 0.000 0.196 799 E C 1.869 178.486 176.600 0.028 0.000 0.993 799 E CA 1.276 57.685 56.400 0.016 0.000 0.819 799 E CB -0.426 29.284 29.700 0.016 0.000 0.745 799 E HN 0.503 nan 8.360 nan 0.000 0.477 800 K N -0.170 120.261 120.400 0.052 0.000 2.379 800 K HA 0.169 4.499 4.320 0.017 0.000 0.194 800 K C 0.087 176.778 176.600 0.152 0.000 1.031 800 K CA 0.004 56.349 56.287 0.097 0.000 1.037 800 K CB 0.244 32.833 32.500 0.147 0.000 0.824 800 K HN 0.078 nan 8.250 nan 0.000 0.516 801 C N 2.820 122.197 119.300 0.129 0.000 2.689 801 C HA 0.205 4.675 4.460 0.017 0.000 0.409 801 C C 0.351 175.409 174.990 0.113 0.000 1.293 801 C CA -0.465 58.659 59.018 0.177 0.000 2.136 801 C CB -0.479 27.312 27.740 0.085 0.000 2.719 801 C HN 0.483 nan 8.230 nan 0.000 0.644 802 K N 0.539 121.032 120.400 0.154 0.000 2.615 802 K HA 0.742 5.072 4.320 0.017 0.000 0.291 802 K C -1.858 174.813 176.600 0.118 0.000 1.017 802 K CA -0.818 55.508 56.287 0.066 0.000 0.882 802 K CB 0.658 33.116 32.500 -0.069 0.000 1.522 802 K HN 0.262 nan 8.250 nan 0.000 0.412 803 V N 1.326 121.283 119.914 0.072 0.000 2.966 803 V HA 0.564 4.695 4.120 0.017 0.000 0.317 803 V C 0.009 176.139 176.094 0.061 0.000 1.070 803 V CA -0.885 61.468 62.300 0.087 0.000 1.008 803 V CB 1.366 33.228 31.823 0.065 0.000 1.070 803 V HN 0.851 nan 8.190 nan 0.000 0.457 804 M N 1.208 120.852 119.600 0.073 0.000 2.644 804 M HA 0.705 5.195 4.480 0.017 0.000 0.304 804 M C 0.722 177.041 176.300 0.031 0.000 1.215 804 M CA -0.770 54.556 55.300 0.042 0.000 0.871 804 M CB 1.927 34.569 32.600 0.071 0.000 1.740 804 M HN 0.533 nan 8.290 nan 0.000 0.464 805 A N 0.735 123.568 122.820 0.022 0.000 2.194 805 A HA -0.015 4.316 4.320 0.017 0.000 0.220 805 A C 1.022 178.568 177.584 -0.062 0.000 1.162 805 A CA 1.010 53.070 52.037 0.038 0.000 0.674 805 A CB -0.860 18.176 19.000 0.060 0.000 0.789 805 A HN 0.821 nan 8.150 nan 0.000 0.470 806 S N -0.115 115.529 115.700 -0.093 0.000 2.553 806 S HA 0.059 4.539 4.470 0.017 0.000 0.293 806 S C 1.294 175.676 174.600 -0.363 0.000 1.296 806 S CA 0.731 58.816 58.200 -0.192 0.000 1.046 806 S CB 0.604 63.754 63.200 -0.083 0.000 0.810 806 S HN 0.625 nan 8.310 nan 0.000 0.505 807 K N 2.163 122.233 120.400 -0.550 0.000 2.283 807 K HA 0.004 4.334 4.320 0.017 0.000 0.202 807 K C 0.670 177.163 176.600 -0.179 0.000 1.048 807 K CA 0.901 56.803 56.287 -0.643 0.000 0.948 807 K CB -0.017 32.142 32.500 -0.569 0.000 0.742 807 K HN 0.292 nan 8.250 nan 0.000 0.458 808 K N 1.267 121.606 120.400 -0.101 0.000 2.731 808 K HA 0.224 4.555 4.320 0.017 0.000 0.284 808 K C -0.023 176.583 176.600 0.011 0.000 1.027 808 K CA -0.407 55.882 56.287 0.002 0.000 1.040 808 K CB 0.222 32.747 32.500 0.041 0.000 1.334 808 K HN -0.147 nan 8.250 nan 0.000 0.498 809 K N 1.536 121.969 120.400 0.055 0.000 2.895 809 K HA 0.288 4.619 4.320 0.017 0.000 0.191 809 K C -2.656 174.001 176.600 0.095 0.000 1.117 809 K CA -1.499 54.825 56.287 0.061 0.000 0.988 809 K CB 1.295 33.827 32.500 0.054 0.000 1.181 809 K HN 0.381 nan 8.250 nan 0.000 0.598 810 P HA 0.229 nan 4.420 nan 0.000 0.284 810 P C -0.131 177.283 177.300 0.191 0.000 1.253 810 P CA -0.740 62.456 63.100 0.160 0.000 0.800 810 P CB 0.902 32.687 31.700 0.143 0.000 0.961 811 L N 3.347 124.710 121.223 0.233 0.000 2.367 811 L HA 0.191 4.541 4.340 0.017 0.000 0.275 811 L C 0.351 177.417 176.870 0.326 0.000 1.129 811 L CA -0.081 54.910 54.840 0.252 0.000 0.839 811 L CB -0.475 41.719 42.059 0.225 0.000 1.133 811 L HN 0.587 nan 8.230 nan 0.000 0.453 812 W N 7.192 128.561 121.300 0.114 0.000 2.291 812 W HA 0.501 5.171 4.660 0.017 0.000 0.312 812 W C -1.777 174.805 176.519 0.105 0.000 1.061 812 W CA -0.842 56.570 57.345 0.112 0.000 1.296 812 W CB 0.940 30.445 29.460 0.075 0.000 1.223 812 W HN 0.329 nan 8.180 nan 0.000 0.421 813 L N 5.942 127.227 121.223 0.105 0.000 2.362 813 L HA 0.511 4.861 4.340 0.017 0.000 0.271 813 L C -0.057 176.812 176.870 -0.003 0.000 1.002 813 L CA -0.845 54.055 54.840 0.101 0.000 0.818 813 L CB 2.386 44.550 42.059 0.174 0.000 1.298 813 L HN 0.277 nan 8.230 nan 0.000 0.420 814 E N 2.295 122.462 120.200 -0.054 0.000 2.248 814 E HA 0.570 4.930 4.350 0.017 0.000 0.267 814 E C -1.607 174.894 176.600 -0.164 0.000 0.877 814 E CA -0.574 55.828 56.400 0.004 0.000 0.759 814 E CB 2.853 32.617 29.700 0.108 0.000 1.182 814 E HN 0.225 nan 8.360 nan 0.000 0.418 815 F N 1.024 121.020 119.950 0.076 0.000 2.546 815 F HA 0.375 4.912 4.527 0.017 0.000 0.320 815 F C 0.641 176.453 175.800 0.020 0.000 1.076 815 F CA -0.937 57.099 58.000 0.060 0.000 0.928 815 F CB 1.704 40.731 39.000 0.044 0.000 1.189 815 F HN 0.087 nan 8.300 nan 0.000 0.465 816 K N 0.776 121.297 120.400 0.201 0.000 2.202 816 K HA 0.296 4.626 4.320 0.017 0.000 0.264 816 K C -0.670 175.970 176.600 0.067 0.000 1.010 816 K CA -0.476 55.875 56.287 0.107 0.000 0.940 816 K CB 1.014 33.560 32.500 0.076 0.000 0.983 816 K HN 0.646 nan 8.250 nan 0.000 0.475 817 C N 2.124 121.431 119.300 0.012 0.000 2.527 817 C HA 0.356 4.826 4.460 0.017 0.000 0.396 817 C C 1.537 176.497 174.990 -0.051 0.000 1.289 817 C CA -0.310 58.680 59.018 -0.048 0.000 2.047 817 C CB -0.398 27.311 27.740 -0.052 0.000 2.568 817 C HN 0.896 nan 8.230 nan 0.000 0.573 818 A N 3.308 126.076 122.820 -0.087 0.000 2.123 818 A HA 0.099 4.429 4.320 0.017 0.000 0.214 818 A C 0.797 178.342 177.584 -0.065 0.000 1.152 818 A CA 0.623 52.621 52.037 -0.066 0.000 0.728 818 A CB -0.316 18.636 19.000 -0.081 0.000 0.814 818 A HN 0.907 nan 8.150 nan 0.000 0.464 819 D N 0.336 120.684 120.400 -0.085 0.000 2.339 819 D HA 0.216 4.866 4.640 0.017 0.000 0.256 819 D C -1.166 175.091 176.300 -0.071 0.000 1.214 819 D CA -1.957 51.990 54.000 -0.089 0.000 0.877 819 D CB 1.208 41.936 40.800 -0.121 0.000 1.111 819 D HN 0.107 nan 8.370 nan 0.000 0.478 820 P HA -0.131 nan 4.420 nan 0.000 0.218 820 P C 0.996 178.261 177.300 -0.059 0.000 1.149 820 P CA 1.104 64.176 63.100 -0.046 0.000 0.817 820 P CB -0.082 31.596 31.700 -0.036 0.000 0.785 821 T N -2.921 111.585 114.554 -0.080 0.000 3.118 821 T HA 0.261 4.621 4.350 0.017 0.000 0.260 821 T C 1.075 175.701 174.700 -0.124 0.000 1.139 821 T CA 0.108 62.146 62.100 -0.104 0.000 1.085 821 T CB -0.979 67.813 68.868 -0.127 0.000 0.934 821 T HN 0.155 nan 8.240 nan 0.000 0.518 822 A N 2.145 124.902 122.820 -0.104 0.000 2.572 822 A HA 0.285 4.615 4.320 0.017 0.000 0.256 822 A C 1.504 179.033 177.584 -0.092 0.000 1.041 822 A CA -0.058 51.921 52.037 -0.096 0.000 0.790 822 A CB -0.450 18.508 19.000 -0.070 0.000 0.947 822 A HN 0.621 nan 8.150 nan 0.000 0.518 823 L N 3.476 124.635 121.223 -0.107 0.000 2.081 823 L HA -0.044 4.306 4.340 0.017 0.000 0.212 823 L C 1.172 177.995 176.870 -0.078 0.000 1.080 823 L CA 2.579 57.342 54.840 -0.127 0.000 0.754 823 L CB -0.333 41.642 42.059 -0.140 0.000 0.893 823 L HN 0.693 nan 8.230 nan 0.000 0.433 824 S N -1.467 114.209 115.700 -0.039 0.000 2.638 824 S HA 0.428 4.908 4.470 0.017 0.000 0.302 824 S C 0.289 174.885 174.600 -0.006 0.000 1.096 824 S CA -0.375 57.817 58.200 -0.014 0.000 0.953 824 S CB 1.317 64.524 63.200 0.012 0.000 1.107 824 S HN 0.470 nan 8.310 nan 0.000 0.503 825 N N 0.937 119.640 118.700 0.005 0.000 2.230 825 N HA 0.194 4.944 4.740 0.017 0.000 0.202 825 N C -0.183 175.343 175.510 0.028 0.000 1.119 825 N CA -0.278 52.779 53.050 0.012 0.000 0.851 825 N CB 0.365 38.859 38.487 0.011 0.000 0.990 825 N HN 0.640 nan 8.380 nan 0.000 0.497 826 E N 1.406 121.627 120.200 0.035 0.000 2.436 826 E HA 0.005 4.365 4.350 0.017 0.000 0.262 826 E C 0.077 176.713 176.600 0.059 0.000 1.063 826 E CA 0.046 56.477 56.400 0.053 0.000 0.944 826 E CB 0.575 30.311 29.700 0.059 0.000 0.950 826 E HN 0.291 nan 8.360 nan 0.000 0.444 827 T N 0.793 115.394 114.554 0.077 0.000 2.918 827 T HA 0.464 4.824 4.350 0.017 0.000 0.283 827 T C 0.297 175.056 174.700 0.098 0.000 1.001 827 T CA -0.780 61.374 62.100 0.091 0.000 1.041 827 T CB 0.591 69.522 68.868 0.105 0.000 1.028 827 T HN 0.325 nan 8.240 nan 0.000 0.511 828 I N 1.670 122.315 120.570 0.125 0.000 2.304 828 I HA 0.465 4.645 4.170 0.017 0.000 0.291 828 I C 0.993 177.213 176.117 0.171 0.000 1.018 828 I CA -0.635 60.742 61.300 0.130 0.000 1.260 828 I CB 0.884 38.936 38.000 0.087 0.000 1.390 828 I HN 0.888 nan 8.210 nan 0.000 0.475 829 G N 7.411 116.260 108.800 0.082 0.000 2.332 829 G HA2 0.745 4.715 3.960 0.017 0.000 0.310 829 G HA3 0.745 4.715 3.960 0.017 0.000 0.310 829 G C -0.677 174.225 174.900 0.003 0.000 1.123 829 G CA -0.362 44.702 45.100 -0.060 0.000 0.873 829 G HN 0.537 nan 8.290 nan 0.000 0.460 830 I N 2.549 123.133 120.570 0.024 0.000 2.512 830 I HA 0.290 4.470 4.170 0.017 0.000 0.287 830 I C -0.238 175.898 176.117 0.032 0.000 1.069 830 I CA -0.591 60.780 61.300 0.118 0.000 1.056 830 I CB 2.237 40.423 38.000 0.311 0.000 1.229 830 I HN 0.273 nan 8.210 nan 0.000 0.429 831 I N 5.132 125.674 120.570 -0.046 0.000 2.662 831 I HA 0.269 4.450 4.170 0.017 0.000 0.291 831 I C -0.871 175.270 176.117 0.040 0.000 1.046 831 I CA -0.101 61.211 61.300 0.020 0.000 1.361 831 I CB 1.016 39.009 38.000 -0.012 0.000 1.429 831 I HN 0.427 nan 8.210 nan 0.000 0.558 832 F N 4.915 124.923 119.950 0.097 0.000 2.577 832 F HA 0.344 4.882 4.527 0.017 0.000 0.344 832 F C -0.277 175.586 175.800 0.104 0.000 1.145 832 F CA -0.763 57.299 58.000 0.103 0.000 0.996 832 F CB 1.193 40.260 39.000 0.112 0.000 1.248 832 F HN 0.249 nan 8.300 nan 0.000 0.447 833 K N 3.958 124.520 120.400 0.269 0.000 2.426 833 K HA 0.380 4.710 4.320 0.017 0.000 0.254 833 K C -1.860 174.873 176.600 0.222 0.000 0.936 833 K CA -0.564 55.849 56.287 0.210 0.000 0.801 833 K CB 1.013 33.581 32.500 0.114 0.000 1.139 833 K HN 0.686 nan 8.250 nan 0.000 0.424 834 H N 2.123 121.269 119.070 0.127 0.000 2.469 834 H HA 0.582 5.148 4.556 0.017 0.000 0.342 834 H C 0.612 175.980 175.328 0.067 0.000 1.115 834 H CA 0.642 56.749 56.048 0.099 0.000 1.204 834 H CB 1.643 31.462 29.762 0.095 0.000 1.492 834 H HN 0.815 nan 8.280 nan 0.000 0.499 835 G N 4.005 112.718 108.800 -0.145 0.000 2.797 835 G HA2 -0.179 3.791 3.960 0.017 0.000 0.195 835 G HA3 -0.179 3.791 3.960 0.017 0.000 0.195 835 G C -0.544 174.332 174.900 -0.039 0.000 1.026 835 G CA -0.061 45.042 45.100 0.007 0.000 0.759 835 G HN 0.610 nan 8.290 nan 0.000 0.475 836 D N 0.855 121.232 120.400 -0.039 0.000 2.272 836 D HA 0.520 5.171 4.640 0.017 0.000 0.247 836 D C -1.138 175.131 176.300 -0.051 0.000 0.990 836 D CA -0.362 53.619 54.000 -0.032 0.000 0.931 836 D CB 1.682 42.480 40.800 -0.003 0.000 1.195 836 D HN 0.042 nan 8.370 nan 0.000 0.477 837 D N 1.334 121.702 120.400 -0.053 0.000 2.365 837 D HA 0.069 4.720 4.640 0.017 0.000 0.237 837 D C 0.636 176.916 176.300 -0.034 0.000 1.190 837 D CA -0.389 53.580 54.000 -0.053 0.000 0.867 837 D CB 0.800 41.559 40.800 -0.069 0.000 1.050 837 D HN 0.030 nan 8.370 nan 0.000 0.491 838 L N 4.067 125.280 121.223 -0.017 0.000 2.610 838 L HA 0.090 4.441 4.340 0.017 0.000 0.232 838 L C 2.197 179.061 176.870 -0.009 0.000 1.149 838 L CA 0.727 55.570 54.840 0.005 0.000 0.872 838 L CB -0.396 41.671 42.059 0.014 0.000 0.992 838 L HN 0.342 nan 8.230 nan 0.000 0.447 839 R N -1.278 119.200 120.500 -0.036 0.000 2.115 839 R HA -0.103 4.247 4.340 0.017 0.000 0.226 839 R C 2.019 178.274 176.300 -0.076 0.000 1.100 839 R CA 0.823 56.882 56.100 -0.067 0.000 0.980 839 R CB -0.101 30.150 30.300 -0.083 0.000 0.875 839 R HN 0.421 nan 8.270 nan 0.000 0.445 840 Q N 0.426 120.191 119.800 -0.057 0.000 2.124 840 Q HA -0.143 4.207 4.340 0.017 0.000 0.202 840 Q C 1.446 177.442 176.000 -0.007 0.000 0.977 840 Q CA 1.372 57.148 55.803 -0.045 0.000 0.850 840 Q CB 0.105 28.817 28.738 -0.044 0.000 0.901 840 Q HN 0.332 nan 8.270 nan 0.000 0.429 841 D N -0.123 120.301 120.400 0.040 0.000 2.149 841 D HA -0.106 4.544 4.640 0.017 0.000 0.201 841 D C 1.846 178.138 176.300 -0.015 0.000 0.972 841 D CA 0.964 55.026 54.000 0.103 0.000 0.835 841 D CB 0.049 40.956 40.800 0.178 0.000 0.966 841 D HN 0.330 nan 8.370 nan 0.000 0.476 842 M N 0.279 119.848 119.600 -0.051 0.000 2.067 842 M HA -0.154 4.336 4.480 0.017 0.000 0.260 842 M C 2.144 178.348 176.300 -0.159 0.000 1.069 842 M CA 0.929 56.166 55.300 -0.105 0.000 1.117 842 M CB -0.120 32.404 32.600 -0.126 0.000 1.334 842 M HN 0.027 nan 8.290 nan 0.000 0.407 843 L N 0.397 121.526 121.223 -0.157 0.000 2.046 843 L HA -0.194 4.156 4.340 0.017 0.000 0.208 843 L C 2.378 179.151 176.870 -0.162 0.000 1.077 843 L CA 1.655 56.398 54.840 -0.162 0.000 0.747 843 L CB -1.187 40.787 42.059 -0.141 0.000 0.896 843 L HN 0.300 nan 8.230 nan 0.000 0.432 844 I N -1.099 119.358 120.570 -0.187 0.000 2.163 844 I HA -0.250 3.930 4.170 0.017 0.000 0.240 844 I C 2.496 178.413 176.117 -0.333 0.000 1.081 844 I CA 0.811 61.934 61.300 -0.294 0.000 1.353 844 I CB -1.154 36.555 38.000 -0.485 0.000 1.054 844 I HN 0.170 nan 8.210 nan 0.000 0.407 845 L N 0.508 121.544 121.223 -0.312 0.000 2.081 845 L HA -0.234 4.117 4.340 0.017 0.000 0.212 845 L C 2.571 179.333 176.870 -0.180 0.000 1.080 845 L CA 1.734 56.422 54.840 -0.254 0.000 0.754 845 L CB -1.411 40.501 42.059 -0.245 0.000 0.893 845 L HN 0.317 nan 8.230 nan 0.000 0.433 846 Q N -0.726 118.975 119.800 -0.165 0.000 2.187 846 Q HA -0.040 4.311 4.340 0.017 0.000 0.199 846 Q C 2.192 178.108 176.000 -0.139 0.000 0.957 846 Q CA 1.201 56.922 55.803 -0.136 0.000 0.857 846 Q CB -0.081 28.569 28.738 -0.147 0.000 0.929 846 Q HN 0.511 nan 8.270 nan 0.000 0.453 847 I N -0.345 120.138 120.570 -0.145 0.000 2.439 847 I HA -0.211 3.970 4.170 0.017 0.000 0.251 847 I C 1.353 177.361 176.117 -0.181 0.000 1.139 847 I CA 0.297 61.515 61.300 -0.137 0.000 1.438 847 I CB -0.124 37.817 38.000 -0.098 0.000 1.085 847 I HN 0.243 nan 8.210 nan 0.000 0.427 848 L N 0.721 121.835 121.223 -0.181 0.000 2.046 848 L HA -0.178 4.172 4.340 0.017 0.000 0.208 848 L C 2.596 179.365 176.870 -0.168 0.000 1.077 848 L CA 1.782 56.515 54.840 -0.178 0.000 0.747 848 L CB -0.888 41.088 42.059 -0.137 0.000 0.896 848 L HN 0.158 nan 8.230 nan 0.000 0.432 849 R N -0.910 119.511 120.500 -0.131 0.000 2.075 849 R HA -0.088 4.262 4.340 0.017 0.000 0.232 849 R C 2.297 178.477 176.300 -0.200 0.000 1.126 849 R CA 1.285 57.330 56.100 -0.091 0.000 0.963 849 R CB -0.439 29.854 30.300 -0.012 0.000 0.858 849 R HN 0.309 nan 8.270 nan 0.000 0.435 850 I N 0.837 121.249 120.570 -0.262 0.000 2.163 850 I HA -0.335 3.845 4.170 0.017 0.000 0.243 850 I C 2.573 178.442 176.117 -0.414 0.000 1.085 850 I CA 1.541 62.613 61.300 -0.380 0.000 1.347 850 I CB -0.181 37.651 38.000 -0.280 0.000 1.044 850 I HN 0.188 nan 8.210 nan 0.000 0.408 851 M N -0.233 119.109 119.600 -0.431 0.000 2.213 851 M HA -0.231 4.259 4.480 0.017 0.000 0.263 851 M C 2.175 177.993 176.300 -0.803 0.000 1.062 851 M CA 1.727 56.599 55.300 -0.714 0.000 1.105 851 M CB -0.274 31.874 32.600 -0.753 0.000 1.385 851 M HN 0.220 nan 8.290 nan 0.000 0.417 852 E N -0.268 119.716 120.200 -0.360 0.000 2.028 852 E HA -0.169 4.191 4.350 0.017 0.000 0.191 852 E C 2.042 178.613 176.600 -0.047 0.000 0.988 852 E CA 1.764 58.144 56.400 -0.033 0.000 0.799 852 E CB -0.137 29.583 29.700 0.033 0.000 0.755 852 E HN 0.548 nan 8.360 nan 0.000 0.447 853 S N 1.148 116.735 115.700 -0.189 0.000 2.383 853 S HA -0.175 4.305 4.470 0.017 0.000 0.229 853 S C 2.094 176.578 174.600 -0.193 0.000 1.030 853 S CA 0.865 58.942 58.200 -0.206 0.000 1.002 853 S CB -0.592 62.317 63.200 -0.485 0.000 0.829 853 S HN 0.185 nan 8.310 nan 0.000 0.467 854 I N -0.245 120.123 120.570 -0.337 0.000 2.208 854 I HA -0.162 4.018 4.170 0.017 0.000 0.245 854 I C 2.473 178.512 176.117 -0.130 0.000 1.097 854 I CA 1.372 62.429 61.300 -0.404 0.000 1.363 854 I CB -0.341 37.273 38.000 -0.644 0.000 1.051 854 I HN 0.390 nan 8.210 nan 0.000 0.413 855 W N 1.000 122.257 121.300 -0.072 0.000 2.436 855 W HA -0.120 4.550 4.660 0.017 0.000 0.284 855 W C 2.499 179.048 176.519 0.050 0.000 1.225 855 W CA 0.906 58.244 57.345 -0.011 0.000 1.271 855 W CB -0.853 28.586 29.460 -0.036 0.000 1.114 855 W HN 0.282 nan 8.180 nan 0.000 0.559 856 E N 0.296 120.655 120.200 0.265 0.000 2.085 856 E HA -0.237 4.123 4.350 0.017 0.000 0.194 856 E C 2.085 178.779 176.600 0.156 0.000 0.994 856 E CA 2.563 59.100 56.400 0.229 0.000 0.801 856 E CB -0.165 29.617 29.700 0.136 0.000 0.743 856 E HN 0.153 nan 8.360 nan 0.000 0.453 857 T N -1.382 113.240 114.554 0.114 0.000 2.918 857 T HA -0.168 4.192 4.350 0.017 0.000 0.271 857 T C 0.989 175.761 174.700 0.120 0.000 1.104 857 T CA 1.460 63.620 62.100 0.101 0.000 1.114 857 T CB -0.180 68.756 68.868 0.114 0.000 0.855 857 T HN 0.258 nan 8.240 nan 0.000 0.518 858 E N 0.543 120.842 120.200 0.165 0.000 2.789 858 E HA 0.327 4.688 4.350 0.017 0.000 0.208 858 E C -0.114 176.590 176.600 0.174 0.000 0.988 858 E CA -0.307 56.184 56.400 0.151 0.000 1.092 858 E CB 0.534 30.338 29.700 0.174 0.000 1.066 858 E HN 0.353 nan 8.360 nan 0.000 0.465 859 S N 0.812 116.635 115.700 0.206 0.000 3.614 859 S HA -0.192 4.288 4.470 0.017 0.000 0.360 859 S C -0.064 174.825 174.600 0.483 0.000 1.023 859 S CA 0.545 58.927 58.200 0.305 0.000 1.114 859 S CB -1.234 62.068 63.200 0.169 0.000 0.907 859 S HN 0.362 nan 8.310 nan 0.000 0.470 860 L N 1.150 122.601 121.223 0.380 0.000 2.342 860 L HA 0.672 5.022 4.340 0.017 0.000 0.271 860 L C -0.096 176.677 176.870 -0.162 0.000 1.008 860 L CA -0.518 54.354 54.840 0.055 0.000 0.818 860 L CB 1.522 43.541 42.059 -0.066 0.000 1.296 860 L HN 0.174 nan 8.230 nan 0.000 0.427 861 D N 2.952 123.055 120.400 -0.495 0.000 2.863 861 D HA 0.250 4.900 4.640 0.017 0.000 0.245 861 D C -0.530 175.608 176.300 -0.270 0.000 1.211 861 D CA -0.356 53.329 54.000 -0.525 0.000 0.888 861 D CB 2.231 42.395 40.800 -1.059 0.000 1.483 861 D HN 0.294 nan 8.370 nan 0.000 0.533 862 L N 3.176 124.290 121.223 -0.181 0.000 2.959 862 L HA 0.117 4.467 4.340 0.017 0.000 0.259 862 L C 0.831 177.677 176.870 -0.039 0.000 1.185 862 L CA 0.005 54.762 54.840 -0.138 0.000 0.998 862 L CB -1.152 40.670 42.059 -0.395 0.000 1.337 862 L HN 0.664 nan 8.230 nan 0.000 0.555 863 C N -0.016 119.252 119.300 -0.052 0.000 3.447 863 C HA -0.226 4.244 4.460 0.017 0.000 0.270 863 C C 1.253 176.291 174.990 0.079 0.000 1.417 863 C CA -0.692 58.323 59.018 -0.006 0.000 2.101 863 C CB -3.495 24.226 27.740 -0.031 0.000 1.375 863 C HN 0.296 nan 8.230 nan 0.000 0.564 864 L N -0.483 120.769 121.223 0.050 0.000 2.492 864 L HA 0.228 4.578 4.340 0.017 0.000 0.280 864 L C 0.874 177.867 176.870 0.204 0.000 1.240 864 L CA 0.092 54.976 54.840 0.074 0.000 0.831 864 L CB 0.181 42.170 42.059 -0.117 0.000 1.100 864 L HN 0.501 nan 8.230 nan 0.000 0.505 865 L N 3.385 124.839 121.223 0.386 0.000 2.506 865 L HA 0.318 4.668 4.340 0.017 0.000 0.247 865 L C -2.128 174.892 176.870 0.251 0.000 1.141 865 L CA -1.495 53.448 54.840 0.172 0.000 0.973 865 L CB 0.948 42.907 42.059 -0.167 0.000 1.319 865 L HN 0.336 nan 8.230 nan 0.000 0.455 866 P HA 0.078 nan 4.420 nan 0.000 0.263 866 P C -0.952 176.349 177.300 0.002 0.000 1.601 866 P CA -0.105 63.035 63.100 0.066 0.000 1.161 866 P CB -0.499 31.209 31.700 0.014 0.000 1.730 867 Y N 0.359 120.713 120.300 0.090 0.000 2.578 867 Y HA 0.410 4.970 4.550 0.018 0.000 0.339 867 Y C 1.152 177.017 175.900 -0.058 0.000 1.231 867 Y CA -1.238 56.856 58.100 -0.011 0.000 1.461 867 Y CB -0.271 38.186 38.460 -0.004 0.000 1.323 867 Y HN 0.334 nan 8.280 nan 0.000 0.590 868 G N 1.114 109.869 108.800 -0.075 0.000 2.321 868 G HA2 0.249 4.219 3.960 0.017 0.000 0.237 868 G HA3 0.249 4.219 3.960 0.017 0.000 0.237 868 G C -1.034 173.734 174.900 -0.220 0.000 1.282 868 G CA 0.027 44.963 45.100 -0.274 0.000 0.886 868 G HN 1.136 nan 8.290 nan 0.000 0.528 869 C N 4.531 123.794 119.300 -0.062 0.000 2.947 869 C HA 0.571 5.041 4.460 0.017 0.000 0.401 869 C C -1.212 173.822 174.990 0.072 0.000 1.019 869 C CA -1.008 58.018 59.018 0.013 0.000 1.230 869 C CB 0.123 27.882 27.740 0.031 0.000 1.644 869 C HN 0.622 nan 8.230 nan 0.000 0.523 870 I N 5.287 125.887 120.570 0.050 0.000 2.512 870 I HA 0.301 4.481 4.170 0.017 0.000 0.287 870 I C 0.304 176.418 176.117 -0.005 0.000 1.069 870 I CA 0.202 61.532 61.300 0.051 0.000 1.056 870 I CB 1.964 39.937 38.000 -0.045 0.000 1.229 870 I HN 0.780 nan 8.210 nan 0.000 0.429 871 S N 4.099 119.827 115.700 0.048 0.000 2.430 871 S HA 0.209 4.689 4.470 0.017 0.000 0.282 871 S C 1.226 175.883 174.600 0.095 0.000 1.186 871 S CA -0.025 58.201 58.200 0.044 0.000 1.060 871 S CB 0.222 63.442 63.200 0.032 0.000 0.966 871 S HN 0.772 nan 8.310 nan 0.000 0.501 872 T N 2.581 117.188 114.554 0.088 0.000 3.039 872 T HA 0.473 4.833 4.350 0.017 0.000 0.250 872 T C 1.004 175.828 174.700 0.207 0.000 1.052 872 T CA 0.350 62.572 62.100 0.204 0.000 1.125 872 T CB -0.024 68.933 68.868 0.149 0.000 0.908 872 T HN 0.771 nan 8.240 nan 0.000 0.473 873 G N 0.066 108.946 108.800 0.133 0.000 2.753 873 G HA2 0.401 4.372 3.960 0.017 0.000 0.303 873 G HA3 0.401 4.372 3.960 0.017 0.000 0.303 873 G C -1.966 172.972 174.900 0.064 0.000 1.242 873 G CA -0.605 44.558 45.100 0.105 0.000 0.810 873 G HN 0.106 nan 8.290 nan 0.000 0.515 874 D N 1.235 121.669 120.400 0.056 0.000 2.338 874 D HA 0.232 4.883 4.640 0.017 0.000 0.255 874 D C 0.148 176.427 176.300 -0.035 0.000 1.237 874 D CA 0.124 54.138 54.000 0.022 0.000 0.883 874 D CB 0.372 41.195 40.800 0.039 0.000 1.087 874 D HN 0.409 nan 8.370 nan 0.000 0.485 875 K N 1.717 122.076 120.400 -0.067 0.000 3.341 875 K HA -0.219 4.111 4.320 0.017 0.000 0.305 875 K C -0.109 176.373 176.600 -0.196 0.000 1.270 875 K CA 0.543 56.736 56.287 -0.156 0.000 0.897 875 K CB -1.651 30.699 32.500 -0.250 0.000 1.264 875 K HN 0.648 nan 8.250 nan 0.000 0.468 876 I N -1.514 119.017 120.570 -0.065 0.000 2.787 876 I HA 0.576 4.756 4.170 0.017 0.000 0.294 876 I C -0.284 175.879 176.117 0.077 0.000 1.365 876 I CA -0.026 61.290 61.300 0.026 0.000 1.029 876 I CB 2.092 40.153 38.000 0.101 0.000 1.313 876 I HN 0.174 nan 8.210 nan 0.000 0.431 877 G N 6.187 115.029 108.800 0.070 0.000 2.342 877 G HA2 0.426 4.396 3.960 0.017 0.000 0.297 877 G HA3 0.426 4.396 3.960 0.017 0.000 0.297 877 G C -1.600 173.163 174.900 -0.229 0.000 1.313 877 G CA -0.711 44.366 45.100 -0.037 0.000 0.830 877 G HN 0.747 nan 8.290 nan 0.000 0.506 878 M N -0.901 118.486 119.600 -0.355 0.000 2.706 878 M HA 0.918 5.408 4.480 0.017 0.000 0.304 878 M C -0.850 175.354 176.300 -0.160 0.000 1.217 878 M CA -0.808 54.222 55.300 -0.449 0.000 0.922 878 M CB 2.014 34.206 32.600 -0.680 0.000 1.637 878 M HN 0.399 nan 8.290 nan 0.000 0.492 879 I N -0.108 120.382 120.570 -0.132 0.000 2.802 879 I HA 0.319 4.500 4.170 0.017 0.000 0.298 879 I C -0.892 175.101 176.117 -0.208 0.000 1.176 879 I CA -0.675 60.563 61.300 -0.103 0.000 1.025 879 I CB 2.557 40.542 38.000 -0.026 0.000 1.243 879 I HN 0.843 nan 8.210 nan 0.000 0.424 880 E N 5.505 125.452 120.200 -0.421 0.000 2.313 880 E HA 0.382 4.742 4.350 0.017 0.000 0.276 880 E C -1.057 175.422 176.600 -0.201 0.000 1.031 880 E CA -0.489 55.637 56.400 -0.457 0.000 0.857 880 E CB 1.054 30.334 29.700 -0.701 0.000 1.040 880 E HN 0.435 nan 8.360 nan 0.000 0.408 881 I N 4.993 125.469 120.570 -0.157 0.000 2.337 881 I HA 0.064 4.244 4.170 0.017 0.000 0.291 881 I C -0.318 175.748 176.117 -0.086 0.000 1.046 881 I CA -0.695 60.480 61.300 -0.209 0.000 1.324 881 I CB 1.205 38.934 38.000 -0.450 0.000 1.409 881 I HN 0.362 nan 8.210 nan 0.000 0.494 882 V N 8.074 127.965 119.914 -0.040 0.000 2.439 882 V HA 0.082 4.212 4.120 0.017 0.000 0.271 882 V C 0.686 176.836 176.094 0.093 0.000 1.040 882 V CA -0.650 61.656 62.300 0.010 0.000 1.002 882 V CB 0.214 32.007 31.823 -0.050 0.000 1.000 882 V HN 0.575 nan 8.190 nan 0.000 0.477 883 K N 3.671 124.128 120.400 0.095 0.000 2.382 883 K HA 0.105 4.435 4.320 0.017 0.000 0.275 883 K C 0.422 177.133 176.600 0.185 0.000 1.009 883 K CA 0.011 56.388 56.287 0.150 0.000 0.970 883 K CB 0.262 32.838 32.500 0.127 0.000 0.934 883 K HN 0.755 nan 8.250 nan 0.000 0.479 884 D N -0.725 119.811 120.400 0.226 0.000 2.907 884 D HA -0.174 4.477 4.640 0.017 0.000 0.226 884 D C -0.575 175.908 176.300 0.306 0.000 1.141 884 D CA 1.112 55.254 54.000 0.236 0.000 0.779 884 D CB -0.774 40.132 40.800 0.177 0.000 1.095 884 D HN 0.661 nan 8.370 nan 0.000 0.430 885 A N 0.053 123.063 122.820 0.318 0.000 2.354 885 A HA 0.848 5.178 4.320 0.017 0.000 0.321 885 A C 0.504 178.220 177.584 0.221 0.000 1.125 885 A CA 0.164 52.401 52.037 0.332 0.000 0.799 885 A CB 1.879 21.147 19.000 0.446 0.000 1.293 885 A HN 0.179 nan 8.150 nan 0.000 0.452 886 T N -1.875 112.720 114.554 0.067 0.000 2.868 886 T HA 0.601 4.962 4.350 0.017 0.000 0.306 886 T C -0.131 174.432 174.700 -0.229 0.000 1.224 886 T CA -0.526 61.531 62.100 -0.071 0.000 1.012 886 T CB 1.066 69.872 68.868 -0.103 0.000 1.221 886 T HN 0.541 nan 8.240 nan 0.000 0.499 887 T N 1.669 116.097 114.554 -0.210 0.000 2.926 887 T HA 0.212 4.572 4.350 0.017 0.000 0.307 887 T C 1.508 176.042 174.700 -0.277 0.000 1.059 887 T CA -0.202 61.748 62.100 -0.250 0.000 1.122 887 T CB 0.137 68.890 68.868 -0.192 0.000 0.972 887 T HN 0.515 nan 8.240 nan 0.000 0.545 888 I N 2.595 123.015 120.570 -0.249 0.000 2.252 888 I HA -0.100 4.080 4.170 0.017 0.000 0.245 888 I C 2.491 178.514 176.117 -0.157 0.000 1.102 888 I CA 1.398 62.582 61.300 -0.193 0.000 1.385 888 I CB -0.632 37.353 38.000 -0.024 0.000 1.064 888 I HN 0.809 nan 8.210 nan 0.000 0.414 889 A N 0.002 122.727 122.820 -0.158 0.000 1.883 889 A HA -0.294 4.036 4.320 0.017 0.000 0.217 889 A C 2.398 179.950 177.584 -0.053 0.000 1.186 889 A CA 2.096 54.075 52.037 -0.098 0.000 0.624 889 A CB -0.659 18.265 19.000 -0.127 0.000 0.822 889 A HN 0.368 nan 8.150 nan 0.000 0.444 890 K N -0.378 119.971 120.400 -0.085 0.000 2.103 890 K HA -0.089 4.241 4.320 0.017 0.000 0.207 890 K C 1.781 178.323 176.600 -0.097 0.000 1.048 890 K CA 1.490 57.737 56.287 -0.067 0.000 0.930 890 K CB -0.325 32.129 32.500 -0.077 0.000 0.716 890 K HN 0.532 nan 8.250 nan 0.000 0.444 891 I N 0.987 121.440 120.570 -0.194 0.000 2.208 891 I HA -0.312 3.868 4.170 0.017 0.000 0.245 891 I C 2.254 178.304 176.117 -0.111 0.000 1.097 891 I CA 1.401 62.547 61.300 -0.257 0.000 1.363 891 I CB -0.176 37.523 38.000 -0.501 0.000 1.051 891 I HN 0.327 nan 8.210 nan 0.000 0.413 892 Q N 0.083 119.838 119.800 -0.074 0.000 2.378 892 Q HA -0.128 4.222 4.340 0.017 0.000 0.205 892 Q C 1.116 177.117 176.000 0.002 0.000 0.954 892 Q CA 0.641 56.433 55.803 -0.019 0.000 0.901 892 Q CB 0.076 28.820 28.738 0.010 0.000 0.981 892 Q HN 0.585 nan 8.270 nan 0.000 0.483 893 Q N 0.021 119.821 119.800 0.001 0.000 2.244 893 Q HA 0.038 4.388 4.340 0.017 0.000 0.239 893 Q C 1.156 177.157 176.000 0.002 0.000 0.890 893 Q CA 0.078 55.881 55.803 0.001 0.000 0.964 893 Q CB 0.483 29.232 28.738 0.019 0.000 1.076 893 Q HN 0.238 nan 8.270 nan 0.000 0.447 894 S N -3.181 112.523 115.700 0.007 0.000 2.665 894 S HA 0.060 4.540 4.470 0.017 0.000 0.240 894 S C 1.624 176.237 174.600 0.023 0.000 1.081 894 S CA 0.296 58.511 58.200 0.025 0.000 0.887 894 S CB 0.296 63.529 63.200 0.055 0.000 0.805 894 S HN 0.155 nan 8.310 nan 0.000 0.486 895 T N 2.067 116.632 114.554 0.018 0.000 3.004 895 T HA 0.349 4.709 4.350 0.017 0.000 0.243 895 T C 0.353 175.042 174.700 -0.017 0.000 1.020 895 T CA 0.525 62.632 62.100 0.012 0.000 1.145 895 T CB -0.028 68.858 68.868 0.030 0.000 0.876 895 T HN 0.254 nan 8.240 nan 0.000 0.449 896 V N 2.164 122.057 119.914 -0.036 0.000 2.394 896 V HA 0.634 4.765 4.120 0.017 0.000 0.282 896 V C 1.608 177.648 176.094 -0.091 0.000 1.031 896 V CA -0.889 61.368 62.300 -0.072 0.000 0.881 896 V CB 0.464 32.228 31.823 -0.098 0.000 0.982 896 V HN 0.553 nan 8.190 nan 0.000 0.451 897 G N 3.945 112.683 108.800 -0.102 0.000 3.754 897 G HA2 -0.384 3.587 3.960 0.017 0.000 0.594 897 G HA3 -0.384 3.587 3.960 0.017 0.000 0.594 897 G C 0.835 175.662 174.900 -0.121 0.000 0.877 897 G CA 1.997 47.031 45.100 -0.110 0.000 0.725 897 G HN 0.856 nan 8.290 nan 0.000 1.358 898 N N -3.472 115.123 118.700 -0.176 0.000 2.357 898 N HA 0.025 4.775 4.740 0.017 0.000 0.260 898 N C 2.133 177.394 175.510 -0.414 0.000 1.035 898 N CA 1.297 54.217 53.050 -0.215 0.000 0.839 898 N CB -0.357 38.047 38.487 -0.139 0.000 1.723 898 N HN 0.340 nan 8.380 nan 0.000 0.617 899 T N -0.227 114.090 114.554 -0.396 0.000 2.857 899 T HA 0.185 4.545 4.350 0.017 0.000 0.266 899 T C 1.213 175.558 174.700 -0.591 0.000 1.048 899 T CA 0.797 62.602 62.100 -0.491 0.000 1.139 899 T CB -0.859 67.847 68.868 -0.270 0.000 0.874 899 T HN 0.359 nan 8.240 nan 0.000 0.455 903 K N 0.033 120.320 120.400 -0.189 0.000 2.502 903 K HA 0.389 4.719 4.320 0.017 0.000 0.257 903 K C -1.197 175.405 176.600 0.002 0.000 0.938 903 K CA -0.559 55.679 56.287 -0.083 0.000 0.819 903 K CB 2.039 34.482 32.500 -0.096 0.000 1.333 903 K HN 0.502 nan 8.250 nan 0.000 0.434 904 D N 1.280 121.671 120.400 -0.014 0.000 2.355 904 D HA -0.048 4.602 4.640 0.017 0.000 0.206 904 D C 0.635 176.604 176.300 -0.552 0.000 1.010 904 D CA 0.810 54.796 54.000 -0.024 0.000 0.875 904 D CB 0.522 41.374 40.800 0.086 0.000 0.966 904 D HN 0.486 nan 8.370 nan 0.000 0.512 905 E N 0.408 120.085 120.200 -0.873 0.000 2.190 905 E HA -0.005 4.356 4.350 0.017 0.000 0.191 905 E C 2.080 178.168 176.600 -0.853 0.000 0.978 905 E CA 0.157 55.658 56.400 -1.499 0.000 0.839 905 E CB -0.432 28.500 29.700 -1.279 0.000 0.787 905 E HN 0.003 nan 8.360 nan 0.000 0.473 906 V N 1.508 121.144 119.914 -0.463 0.000 2.439 906 V HA -0.295 3.835 4.120 0.017 0.000 0.253 906 V C 2.209 178.274 176.094 -0.048 0.000 1.074 906 V CA 1.570 63.756 62.300 -0.190 0.000 1.076 906 V CB -0.607 31.179 31.823 -0.062 0.000 0.664 906 V HN 0.278 nan 8.190 nan 0.000 0.461 907 L N 0.027 121.206 121.223 -0.075 0.000 1.994 907 L HA -0.200 4.151 4.340 0.017 0.000 0.208 907 L C 2.604 179.549 176.870 0.124 0.000 1.071 907 L CA 1.997 56.840 54.840 0.005 0.000 0.745 907 L CB -0.573 41.438 42.059 -0.080 0.000 0.892 907 L HN 0.443 nan 8.230 nan 0.000 0.431 908 N N -0.736 118.021 118.700 0.095 0.000 2.244 908 N HA -0.197 4.554 4.740 0.017 0.000 0.183 908 N C 1.732 177.438 175.510 0.327 0.000 1.016 908 N CA 1.194 54.400 53.050 0.260 0.000 0.866 908 N CB -0.007 38.726 38.487 0.410 0.000 0.980 908 N HN 0.534 nan 8.380 nan 0.000 0.430 909 H N -2.019 117.156 119.070 0.175 0.000 2.326 909 H HA -0.141 4.425 4.556 0.017 0.000 0.301 909 H C 1.683 177.090 175.328 0.133 0.000 1.081 909 H CA 1.231 57.342 56.048 0.106 0.000 1.334 909 H CB -0.216 29.588 29.762 0.071 0.000 1.385 909 H HN 0.339 nan 8.280 nan 0.000 0.504 910 W N 1.759 123.148 121.300 0.148 0.000 2.342 910 W HA -0.197 4.474 4.660 0.017 0.000 0.297 910 W C 1.771 178.354 176.519 0.106 0.000 1.213 910 W CA 1.307 58.708 57.345 0.093 0.000 1.251 910 W CB -0.346 29.147 29.460 0.055 0.000 1.136 910 W HN 0.077 nan 8.180 nan 0.000 0.526 911 L N 0.514 121.932 121.223 0.325 0.000 2.005 911 L HA -0.204 4.146 4.340 0.017 0.000 0.207 911 L C 2.582 179.560 176.870 0.180 0.000 1.072 911 L CA 1.722 56.703 54.840 0.236 0.000 0.744 911 L CB -0.975 41.327 42.059 0.405 0.000 0.895 911 L HN -0.157 nan 8.230 nan 0.000 0.433 912 K N 1.056 121.554 120.400 0.163 0.000 2.103 912 K HA -0.238 4.093 4.320 0.017 0.000 0.207 912 K C 1.830 178.355 176.600 -0.126 0.000 1.048 912 K CA 2.007 58.198 56.287 -0.160 0.000 0.930 912 K CB -0.145 32.080 32.500 -0.458 0.000 0.716 912 K HN 0.546 nan 8.250 nan 0.000 0.444 913 E N -0.716 119.410 120.200 -0.124 0.000 2.358 913 E HA -0.076 4.284 4.350 0.017 0.000 0.195 913 E C 1.251 177.722 176.600 -0.215 0.000 1.010 913 E CA 0.860 57.166 56.400 -0.157 0.000 0.856 913 E CB 0.112 29.733 29.700 -0.132 0.000 0.795 913 E HN 0.031 nan 8.360 nan 0.000 0.504 914 K N 0.704 120.918 120.400 -0.310 0.000 2.354 914 K HA 0.133 4.464 4.320 0.017 0.000 0.194 914 K C 0.195 176.691 176.600 -0.174 0.000 1.038 914 K CA 0.393 56.474 56.287 -0.343 0.000 1.052 914 K CB 1.191 33.268 32.500 -0.705 0.000 0.861 914 K HN 0.192 nan 8.250 nan 0.000 0.535 915 S N 1.199 116.849 115.700 -0.083 0.000 2.438 915 S HA 0.352 4.833 4.470 0.017 0.000 0.316 915 S C -2.295 172.309 174.600 0.007 0.000 1.084 915 S CA -1.322 56.882 58.200 0.007 0.000 1.107 915 S CB 1.975 65.245 63.200 0.116 0.000 0.981 915 S HN -0.202 nan 8.310 nan 0.000 0.466 916 P HA -0.016 nan 4.420 nan 0.000 0.213 916 P C 0.688 177.990 177.300 0.002 0.000 1.170 916 P CA 1.159 64.253 63.100 -0.010 0.000 0.893 916 P CB -0.269 31.427 31.700 -0.007 0.000 0.784 917 T N -2.452 112.117 114.554 0.025 0.000 2.837 917 T HA 0.232 4.593 4.350 0.017 0.000 0.285 917 T C 0.970 175.716 174.700 0.077 0.000 0.984 917 T CA -0.724 61.397 62.100 0.034 0.000 1.049 917 T CB 1.455 70.343 68.868 0.032 0.000 0.947 917 T HN -0.056 nan 8.240 nan 0.000 0.472 918 E N 0.800 121.041 120.200 0.068 0.000 2.331 918 E HA -0.194 4.166 4.350 0.017 0.000 0.199 918 E C 1.609 178.333 176.600 0.208 0.000 1.008 918 E CA 0.842 57.320 56.400 0.129 0.000 0.843 918 E CB 0.125 29.860 29.700 0.058 0.000 0.761 918 E HN 0.915 nan 8.360 nan 0.000 0.507 919 E N 0.911 121.187 120.200 0.127 0.000 2.028 919 E HA -0.159 4.201 4.350 0.017 0.000 0.190 919 E C 1.737 178.392 176.600 0.092 0.000 0.984 919 E CA 0.799 57.260 56.400 0.101 0.000 0.800 919 E CB 0.056 29.793 29.700 0.063 0.000 0.758 919 E HN 0.103 nan 8.360 nan 0.000 0.448 920 K N -0.189 120.263 120.400 0.086 0.000 2.211 920 K HA -0.149 4.181 4.320 0.017 0.000 0.204 920 K C 2.002 178.659 176.600 0.096 0.000 1.047 920 K CA 1.177 57.506 56.287 0.069 0.000 0.935 920 K CB -0.287 32.247 32.500 0.056 0.000 0.728 920 K HN 0.141 nan 8.250 nan 0.000 0.452 921 F N 1.984 121.936 119.950 0.003 0.000 2.113 921 F HA -0.180 4.358 4.527 0.017 0.000 0.297 921 F C 2.214 178.022 175.800 0.014 0.000 1.103 921 F CA 1.370 59.372 58.000 0.004 0.000 1.248 921 F CB -0.019 38.982 39.000 0.001 0.000 0.999 921 F HN -0.050 nan 8.300 nan 0.000 0.475 922 Q N 0.509 120.271 119.800 -0.064 0.000 2.167 922 Q HA -0.069 4.281 4.340 0.017 0.000 0.202 922 Q C 2.418 178.339 176.000 -0.132 0.000 0.970 922 Q CA 1.257 56.968 55.803 -0.154 0.000 0.855 922 Q CB -0.841 27.922 28.738 0.042 0.000 0.911 922 Q HN 0.555 nan 8.270 nan 0.000 0.438 923 A N 0.503 123.285 122.820 -0.063 0.000 2.067 923 A HA 0.005 4.335 4.320 0.017 0.000 0.219 923 A C 2.190 179.738 177.584 -0.059 0.000 1.158 923 A CA 1.500 53.513 52.037 -0.041 0.000 0.661 923 A CB -0.294 18.700 19.000 -0.011 0.000 0.801 923 A HN 0.336 nan 8.150 nan 0.000 0.452 924 A N -0.573 122.177 122.820 -0.118 0.000 1.878 924 A HA 0.124 4.455 4.320 0.017 0.000 0.213 924 A C 2.106 179.617 177.584 -0.121 0.000 1.192 924 A CA 1.369 53.350 52.037 -0.093 0.000 0.619 924 A CB -0.762 18.183 19.000 -0.091 0.000 0.837 924 A HN 0.366 nan 8.150 nan 0.000 0.446 925 V N 0.501 120.205 119.914 -0.350 0.000 2.490 925 V HA -0.256 3.874 4.120 0.017 0.000 0.250 925 V C 2.480 178.507 176.094 -0.112 0.000 1.061 925 V CA 2.382 64.491 62.300 -0.318 0.000 1.064 925 V CB -0.838 30.646 31.823 -0.564 0.000 0.670 925 V HN 0.763 nan 8.190 nan 0.000 0.461 926 E N 1.176 121.327 120.200 -0.081 0.000 2.012 926 E HA -0.277 4.083 4.350 0.017 0.000 0.197 926 E C 2.360 179.070 176.600 0.183 0.000 1.007 926 E CA 1.905 58.349 56.400 0.072 0.000 0.816 926 E CB -0.372 29.352 29.700 0.040 0.000 0.762 926 E HN 0.422 nan 8.360 nan 0.000 0.451 927 R N -1.062 119.499 120.500 0.101 0.000 2.117 927 R HA -0.186 4.164 4.340 0.017 0.000 0.243 927 R C 2.271 178.698 176.300 0.211 0.000 1.143 927 R CA 1.728 57.901 56.100 0.120 0.000 0.968 927 R CB -0.571 29.779 30.300 0.084 0.000 0.863 927 R HN 0.354 nan 8.270 nan 0.000 0.444 928 F N -0.227 119.763 119.950 0.066 0.000 2.146 928 F HA -0.132 4.406 4.527 0.018 0.000 0.298 928 F C 1.788 177.668 175.800 0.134 0.000 1.096 928 F CA 1.268 59.309 58.000 0.069 0.000 1.275 928 F CB -0.101 38.886 39.000 -0.021 0.000 1.008 928 F HN -0.188 nan 8.300 nan 0.000 0.480 929 V N -0.632 119.450 119.914 0.281 0.000 2.515 929 V HA -0.283 3.847 4.120 0.017 0.000 0.250 929 V C 1.923 178.065 176.094 0.080 0.000 1.058 929 V CA 1.759 64.198 62.300 0.232 0.000 1.064 929 V CB -1.006 30.955 31.823 0.229 0.000 0.675 929 V HN 0.354 nan 8.190 nan 0.000 0.461 930 Y N 1.357 121.665 120.300 0.014 0.000 2.130 930 Y HA -0.204 4.356 4.550 0.017 0.000 0.287 930 Y C 2.984 178.840 175.900 -0.072 0.000 1.124 930 Y CA 1.853 59.910 58.100 -0.072 0.000 1.118 930 Y CB -0.722 37.682 38.460 -0.093 0.000 0.994 930 Y HN 0.363 nan 8.280 nan 0.000 0.497 931 S N -1.233 114.558 115.700 0.152 0.000 2.370 931 S HA -0.285 4.196 4.470 0.017 0.000 0.226 931 S C 2.206 176.921 174.600 0.191 0.000 1.033 931 S CA 1.215 59.523 58.200 0.180 0.000 1.011 931 S CB -1.444 61.891 63.200 0.225 0.000 0.852 931 S HN 0.591 nan 8.310 nan 0.000 0.457 932 C N 2.275 121.560 119.300 -0.025 0.000 2.413 932 C HA 0.073 4.544 4.460 0.017 0.000 0.277 932 C C 3.224 178.338 174.990 0.207 0.000 1.228 932 C CA 1.068 60.106 59.018 0.035 0.000 1.731 932 C CB -1.802 25.798 27.740 -0.234 0.000 2.042 932 C HN 0.710 nan 8.230 nan 0.000 0.468 933 A N 0.334 123.210 122.820 0.094 0.000 1.892 933 A HA -0.007 4.323 4.320 0.017 0.000 0.218 933 A C 2.474 179.936 177.584 -0.203 0.000 1.188 933 A CA 2.449 54.345 52.037 -0.234 0.000 0.631 933 A CB -1.576 17.122 19.000 -0.502 0.000 0.822 933 A HN 0.726 nan 8.150 nan 0.000 0.447 934 G N -1.938 106.755 108.800 -0.178 0.000 2.421 934 G HA2 -0.224 3.746 3.960 0.017 0.000 0.216 934 G HA3 -0.224 3.746 3.960 0.017 0.000 0.216 934 G C 1.457 176.302 174.900 -0.091 0.000 1.171 934 G CA 1.182 46.150 45.100 -0.220 0.000 0.775 934 G HN 0.590 nan 8.290 nan 0.000 0.543 935 Y N 0.031 120.363 120.300 0.054 0.000 2.509 935 Y HA -0.045 4.515 4.550 0.017 0.000 0.293 935 Y C 2.950 178.832 175.900 -0.030 0.000 1.133 935 Y CA 0.415 58.529 58.100 0.024 0.000 1.283 935 Y CB -0.101 38.397 38.460 0.063 0.000 1.001 935 Y HN 0.226 nan 8.280 nan 0.000 0.555 936 C N -1.571 117.757 119.300 0.046 0.000 2.486 936 C HA -0.075 4.395 4.460 0.017 0.000 0.279 936 C C 2.624 177.508 174.990 -0.175 0.000 1.302 936 C CA 0.551 59.404 59.018 -0.275 0.000 1.720 936 C CB -0.941 26.464 27.740 -0.559 0.000 2.030 936 C HN 0.322 nan 8.230 nan 0.000 0.490 937 V N 1.562 121.480 119.914 0.007 0.000 2.283 937 V HA -0.115 4.015 4.120 0.017 0.000 0.243 937 V C 2.782 179.044 176.094 0.279 0.000 1.039 937 V CA 2.147 64.550 62.300 0.172 0.000 1.016 937 V CB -1.430 30.450 31.823 0.094 0.000 0.650 937 V HN 0.535 nan 8.190 nan 0.000 0.449 938 A N -0.582 122.378 122.820 0.233 0.000 1.883 938 A HA -0.288 4.042 4.320 0.017 0.000 0.217 938 A C 2.423 180.102 177.584 0.158 0.000 1.186 938 A CA 2.792 54.918 52.037 0.148 0.000 0.624 938 A CB -1.120 17.912 19.000 0.054 0.000 0.822 938 A HN 0.460 nan 8.150 nan 0.000 0.444 939 T N -1.525 113.136 114.554 0.178 0.000 2.746 939 T HA -0.112 4.249 4.350 0.017 0.000 0.267 939 T C 1.568 176.477 174.700 0.348 0.000 1.039 939 T CA 1.637 63.872 62.100 0.225 0.000 1.142 939 T CB -0.363 68.614 68.868 0.182 0.000 0.866 939 T HN 0.467 nan 8.240 nan 0.000 0.444 940 F N 1.413 121.521 119.950 0.264 0.000 2.134 940 F HA -0.046 4.491 4.527 0.017 0.000 0.299 940 F C 2.146 178.163 175.800 0.361 0.000 1.097 940 F CA 0.717 58.932 58.000 0.358 0.000 1.264 940 F CB -0.622 38.604 39.000 0.377 0.000 1.001 940 F HN -0.062 nan 8.300 nan 0.000 0.479 941 V N 0.806 120.858 119.914 0.230 0.000 2.407 941 V HA -0.274 3.856 4.120 0.017 0.000 0.248 941 V C 2.174 178.298 176.094 0.050 0.000 1.055 941 V CA 1.876 64.218 62.300 0.070 0.000 1.049 941 V CB -0.645 31.255 31.823 0.129 0.000 0.662 941 V HN 0.356 nan 8.190 nan 0.000 0.455 942 L N 0.186 121.492 121.223 0.137 0.000 2.592 942 L HA 0.350 4.700 4.340 0.017 0.000 0.227 942 L C 1.594 178.569 176.870 0.174 0.000 1.127 942 L CA 0.593 55.550 54.840 0.194 0.000 0.884 942 L CB -0.570 41.603 42.059 0.189 0.000 1.065 942 L HN 0.495 nan 8.230 nan 0.000 0.457 943 G N 2.321 111.199 108.800 0.129 0.000 2.356 943 G HA2 -0.294 3.676 3.960 0.017 0.000 0.296 943 G HA3 -0.294 3.676 3.960 0.017 0.000 0.296 943 G C 0.492 175.412 174.900 0.033 0.000 1.022 943 G CA 0.800 45.834 45.100 -0.111 0.000 0.961 943 G HN 0.663 nan 8.290 nan 0.000 0.510 944 I N -3.535 117.149 120.570 0.191 0.000 3.424 944 I HA 0.577 4.758 4.170 0.017 0.000 0.339 944 I C 1.407 177.740 176.117 0.359 0.000 1.549 944 I CA -0.080 61.378 61.300 0.263 0.000 1.049 944 I CB 0.387 38.574 38.000 0.312 0.000 1.439 944 I HN 0.010 nan 8.210 nan 0.000 0.500 945 G N 0.401 109.420 108.800 0.365 0.000 2.539 945 G HA2 -0.111 3.859 3.960 0.017 0.000 0.215 945 G HA3 -0.111 3.859 3.960 0.017 0.000 0.215 945 G C 0.449 175.594 174.900 0.408 0.000 1.141 945 G CA 0.136 45.510 45.100 0.458 0.000 0.806 945 G HN 0.408 nan 8.290 nan 0.000 0.533 946 D N 1.336 121.935 120.400 0.332 0.000 2.435 946 D HA 0.165 4.815 4.640 0.017 0.000 0.230 946 D C 0.064 176.597 176.300 0.388 0.000 1.215 946 D CA -0.102 54.103 54.000 0.341 0.000 0.947 946 D CB 0.064 41.048 40.800 0.307 0.000 1.048 946 D HN 0.017 nan 8.370 nan 0.000 0.512 947 R N 2.021 122.690 120.500 0.282 0.000 2.740 947 R HA 0.254 4.604 4.340 0.017 0.000 0.282 947 R C -0.261 175.965 176.300 -0.124 0.000 0.969 947 R CA -1.004 55.105 56.100 0.014 0.000 0.918 947 R CB 0.933 31.183 30.300 -0.084 0.000 1.175 947 R HN 0.452 nan 8.270 nan 0.000 0.464 948 H N 1.683 120.279 119.070 -0.789 0.000 2.722 948 H HA 0.106 4.672 4.556 0.017 0.000 0.328 948 H C 0.938 176.031 175.328 -0.391 0.000 1.067 948 H CA 0.167 55.679 56.048 -0.892 0.000 1.447 948 H CB 0.588 29.539 29.762 -1.350 0.000 1.469 948 H HN 0.381 nan 8.280 nan 0.000 0.544 949 N N 3.185 121.514 118.700 -0.619 0.000 2.396 949 N HA -0.214 4.536 4.740 0.017 0.000 0.191 949 N C 0.870 176.082 175.510 -0.496 0.000 1.015 949 N CA 1.465 54.235 53.050 -0.467 0.000 0.893 949 N CB -0.099 38.210 38.487 -0.295 0.000 0.956 949 N HN 0.774 nan 8.380 nan 0.000 0.445 950 D N -0.723 119.262 120.400 -0.691 0.000 2.347 950 D HA 0.052 4.702 4.640 0.017 0.000 0.215 950 D C 0.582 176.697 176.300 -0.310 0.000 0.976 950 D CA 0.600 54.380 54.000 -0.368 0.000 0.884 950 D CB -0.063 40.621 40.800 -0.192 0.000 0.915 950 D HN 0.315 nan 8.370 nan 0.000 0.526 951 N N -0.839 117.641 118.700 -0.368 0.000 2.268 951 N HA 0.222 4.972 4.740 0.017 0.000 0.204 951 N C -0.561 174.671 175.510 -0.463 0.000 1.124 951 N CA -0.045 52.780 53.050 -0.374 0.000 0.838 951 N CB 0.932 39.203 38.487 -0.360 0.000 0.994 951 N HN 0.164 nan 8.380 nan 0.000 0.489 952 I N 0.751 121.058 120.570 -0.440 0.000 2.545 952 I HA 0.393 4.573 4.170 0.017 0.000 0.292 952 I C -0.594 175.258 176.117 -0.441 0.000 1.040 952 I CA -0.611 60.412 61.300 -0.462 0.000 1.068 952 I CB 1.991 39.792 38.000 -0.331 0.000 1.251 952 I HN -0.168 nan 8.210 nan 0.000 0.424 953 M N 5.594 124.807 119.600 -0.646 0.000 2.727 953 M HA 0.639 5.129 4.480 0.017 0.000 0.300 953 M C -1.114 174.867 176.300 -0.533 0.000 1.246 953 M CA -0.804 54.085 55.300 -0.686 0.000 0.835 953 M CB 3.390 35.396 32.600 -0.990 0.000 1.755 953 M HN 0.452 nan 8.290 nan 0.000 0.473 954 I N 0.352 120.776 120.570 -0.244 0.000 2.827 954 I HA 0.444 4.625 4.170 0.017 0.000 0.298 954 I C -0.535 175.761 176.117 0.298 0.000 1.235 954 I CA -0.364 60.985 61.300 0.081 0.000 1.021 954 I CB 2.597 40.617 38.000 0.034 0.000 1.259 954 I HN 0.856 nan 8.210 nan 0.000 0.427 955 T N 1.101 115.919 114.554 0.439 0.000 2.874 955 T HA 0.307 4.668 4.350 0.017 0.000 0.281 955 T C 0.733 175.714 174.700 0.469 0.000 0.994 955 T CA -0.474 61.878 62.100 0.421 0.000 1.015 955 T CB 1.339 70.382 68.868 0.291 0.000 1.028 955 T HN 0.682 nan 8.240 nan 0.000 0.523 956 E N -0.288 120.127 120.200 0.358 0.000 2.463 956 E HA -0.071 4.289 4.350 0.017 0.000 0.201 956 E C 1.256 177.915 176.600 0.099 0.000 1.045 956 E CA 0.810 57.299 56.400 0.148 0.000 0.872 956 E CB 0.010 29.733 29.700 0.038 0.000 0.797 956 E HN 0.759 nan 8.360 nan 0.000 0.538 957 T N -2.190 112.457 114.554 0.155 0.000 3.132 957 T HA 0.315 4.675 4.350 0.017 0.000 0.274 957 T C 0.938 175.714 174.700 0.127 0.000 1.011 957 T CA 0.606 62.770 62.100 0.106 0.000 0.899 957 T CB 0.436 69.348 68.868 0.073 0.000 1.089 957 T HN 0.277 nan 8.240 nan 0.000 0.543 958 G N 1.761 110.683 108.800 0.204 0.000 2.213 958 G HA2 -0.207 3.764 3.960 0.017 0.000 0.226 958 G HA3 -0.207 3.764 3.960 0.017 0.000 0.226 958 G C 0.059 175.129 174.900 0.284 0.000 0.992 958 G CA -0.148 45.093 45.100 0.236 0.000 0.632 958 G HN 0.571 nan 8.290 nan 0.000 0.511 959 N N 1.130 119.980 118.700 0.250 0.000 2.405 959 N HA 0.387 5.137 4.740 0.017 0.000 0.260 959 N C 0.344 176.078 175.510 0.373 0.000 1.152 959 N CA -0.053 53.153 53.050 0.260 0.000 0.948 959 N CB 0.705 39.304 38.487 0.187 0.000 1.111 959 N HN 0.608 nan 8.380 nan 0.000 0.485 960 L N 4.675 126.073 121.223 0.292 0.000 2.418 960 L HA 0.577 4.927 4.340 0.017 0.000 0.265 960 L C -0.897 176.165 176.870 0.319 0.000 1.143 960 L CA -0.479 54.487 54.840 0.211 0.000 0.809 960 L CB 0.285 42.329 42.059 -0.025 0.000 1.124 960 L HN 0.518 nan 8.230 nan 0.000 0.456 961 F N 0.582 120.401 119.950 -0.218 0.000 2.652 961 F HA 0.370 4.907 4.527 0.017 0.000 0.320 961 F C -0.870 174.738 175.800 -0.320 0.000 1.115 961 F CA -1.013 56.644 58.000 -0.573 0.000 1.053 961 F CB 0.342 39.297 39.000 -0.075 0.000 1.297 961 F HN 0.444 nan 8.300 nan 0.000 0.471 962 H N 3.820 122.567 119.070 -0.539 0.000 2.790 962 H HA 0.602 5.168 4.556 0.017 0.000 0.358 962 H C 0.037 175.319 175.328 -0.077 0.000 1.103 962 H CA 0.584 56.521 56.048 -0.184 0.000 1.426 962 H CB 1.782 31.653 29.762 0.181 0.000 1.424 962 H HN 0.792 nan 8.280 nan 0.000 0.599 963 I N -1.748 118.621 120.570 -0.335 0.000 3.322 963 I HA 0.279 4.459 4.170 0.017 0.000 0.313 963 I C -0.226 175.496 176.117 -0.658 0.000 1.129 963 I CA -1.095 60.013 61.300 -0.320 0.000 0.963 963 I CB 1.828 39.650 38.000 -0.297 0.000 1.273 963 I HN 0.456 nan 8.210 nan 0.000 0.473 964 D N 1.193 121.405 120.400 -0.314 0.000 2.890 964 D HA -0.236 4.414 4.640 0.017 0.000 0.226 964 D C -0.149 176.002 176.300 -0.250 0.000 1.207 964 D CA 0.791 54.671 54.000 -0.200 0.000 0.764 964 D CB -0.758 39.948 40.800 -0.158 0.000 0.948 964 D HN 0.547 nan 8.370 nan 0.000 0.404 965 F N -0.444 119.589 119.950 0.138 0.000 2.725 965 F HA 0.244 4.782 4.527 0.018 0.000 0.303 965 F C 2.463 178.313 175.800 0.084 0.000 1.167 965 F CA 0.160 58.233 58.000 0.121 0.000 1.403 965 F CB -0.047 39.026 39.000 0.122 0.000 1.077 965 F HN 0.298 nan 8.300 nan 0.000 0.537 966 G N -0.623 108.272 108.800 0.157 0.000 2.606 966 G HA2 -0.251 3.719 3.960 0.017 0.000 0.223 966 G HA3 -0.251 3.719 3.960 0.017 0.000 0.223 966 G C 0.554 175.507 174.900 0.088 0.000 1.106 966 G CA 1.461 46.613 45.100 0.086 0.000 0.745 966 G HN 0.405 nan 8.290 nan 0.000 0.597 982 R N 0.161 120.647 120.500 -0.024 0.000 2.828 982 R HA 0.827 5.177 4.340 0.017 0.000 0.264 982 R C -0.975 175.316 176.300 -0.014 0.000 1.022 982 R CA -0.878 55.217 56.100 -0.008 0.000 1.021 982 R CB 1.714 32.033 30.300 0.031 0.000 1.163 982 R HN 0.205 nan 8.270 nan 0.000 0.494 983 V N 1.840 121.758 119.914 0.007 0.000 2.760 983 V HA 0.272 4.402 4.120 0.017 0.000 0.309 983 V C -1.823 174.265 176.094 -0.011 0.000 1.077 983 V CA -2.186 60.085 62.300 -0.049 0.000 0.910 983 V CB 2.525 34.310 31.823 -0.063 0.000 1.008 983 V HN 0.797 nan 8.190 nan 0.000 0.424 984 P HA 0.001 nan 4.420 nan 0.000 0.216 984 P C -0.091 177.343 177.300 0.223 0.000 1.153 984 P CA 1.374 64.506 63.100 0.054 0.000 0.848 984 P CB 0.055 31.619 31.700 -0.225 0.000 0.787 985 F N -4.148 115.874 119.950 0.121 0.000 2.745 985 F HA 0.532 5.069 4.527 0.017 0.000 0.316 985 F C -0.996 174.852 175.800 0.080 0.000 1.155 985 F CA -1.756 56.340 58.000 0.161 0.000 0.937 985 F CB 0.587 39.694 39.000 0.178 0.000 1.361 985 F HN -0.497 nan 8.300 nan 0.000 0.472 986 V N 2.570 122.692 119.914 0.347 0.000 2.299 986 V HA 0.369 4.500 4.120 0.017 0.000 0.255 986 V C -0.694 175.332 176.094 -0.112 0.000 1.100 986 V CA -0.117 62.203 62.300 0.033 0.000 0.938 986 V CB 0.469 32.268 31.823 -0.040 0.000 1.139 986 V HN 0.618 nan 8.190 nan 0.000 0.490 987 L N 6.411 127.536 121.223 -0.163 0.000 2.457 987 L HA 0.552 4.902 4.340 0.017 0.000 0.252 987 L C 0.530 177.155 176.870 -0.407 0.000 1.132 987 L CA 0.201 54.915 54.840 -0.210 0.000 0.938 987 L CB 1.243 43.398 42.059 0.160 0.000 1.246 987 L HN 0.665 nan 8.230 nan 0.000 0.476 988 T N 0.811 114.924 114.554 -0.734 0.000 2.902 988 T HA 0.485 4.845 4.350 0.017 0.000 0.280 988 T C -1.903 172.450 174.700 -0.579 0.000 0.992 988 T CA -1.793 59.831 62.100 -0.792 0.000 1.015 988 T CB 1.004 69.237 68.868 -1.059 0.000 1.044 988 T HN 0.210 nan 8.240 nan 0.000 0.520 989 P HA -0.207 nan 4.420 nan 0.000 0.216 989 P C 1.372 178.679 177.300 0.010 0.000 1.154 989 P CA 1.489 64.378 63.100 -0.352 0.000 0.865 989 P CB -0.070 31.396 31.700 -0.390 0.000 0.789 990 D N -1.151 119.328 120.400 0.131 0.000 2.149 990 D HA -0.205 4.445 4.640 0.017 0.000 0.198 990 D C 1.741 178.239 176.300 0.330 0.000 0.990 990 D CA 1.352 55.532 54.000 0.301 0.000 0.839 990 D CB -1.380 39.661 40.800 0.401 0.000 0.948 990 D HN 0.131 nan 8.370 nan 0.000 0.460 991 F N 1.041 121.026 119.950 0.059 0.000 2.075 991 F HA 0.014 4.551 4.527 0.017 0.000 0.297 991 F C 2.632 178.493 175.800 0.102 0.000 1.113 991 F CA 0.495 58.613 58.000 0.195 0.000 1.218 991 F CB -1.017 38.131 39.000 0.246 0.000 0.984 991 F HN -0.075 nan 8.300 nan 0.000 0.472 992 L N -1.480 119.870 121.223 0.212 0.000 2.079 992 L HA -0.261 4.090 4.340 0.017 0.000 0.210 992 L C 2.434 179.332 176.870 0.046 0.000 1.081 992 L CA 1.377 56.237 54.840 0.033 0.000 0.752 992 L CB -0.940 41.054 42.059 -0.108 0.000 0.896 992 L HN 0.067 nan 8.230 nan 0.000 0.433 993 F N 0.295 120.227 119.950 -0.030 0.000 2.161 993 F HA -0.220 4.318 4.527 0.017 0.000 0.300 993 F C 2.232 178.004 175.800 -0.046 0.000 1.089 993 F CA 1.476 59.458 58.000 -0.031 0.000 1.282 993 F CB -0.070 38.922 39.000 -0.013 0.000 1.010 993 F HN -0.242 nan 8.300 nan 0.000 0.485 994 V N 0.474 120.426 119.914 0.063 0.000 2.515 994 V HA -0.297 3.833 4.120 0.017 0.000 0.250 994 V C 2.108 178.132 176.094 -0.117 0.000 1.058 994 V CA 1.834 64.060 62.300 -0.123 0.000 1.064 994 V CB -0.570 30.929 31.823 -0.540 0.000 0.675 994 V HN 0.367 nan 8.190 nan 0.000 0.461 995 M N -0.144 119.443 119.600 -0.021 0.000 2.618 995 M HA 0.224 4.714 4.480 0.017 0.000 0.240 995 M C 1.492 177.844 176.300 0.086 0.000 1.123 995 M CA 0.989 56.343 55.300 0.091 0.000 1.060 995 M CB 0.000 32.712 32.600 0.185 0.000 1.535 995 M HN 0.514 nan 8.290 nan 0.000 0.507 996 G N 1.586 110.354 108.800 -0.053 0.000 2.137 996 G HA2 -0.190 3.780 3.960 0.017 0.000 0.237 996 G HA3 -0.190 3.780 3.960 0.017 0.000 0.237 996 G C -0.123 174.707 174.900 -0.117 0.000 1.002 996 G CA 0.241 45.288 45.100 -0.088 0.000 0.702 996 G HN 0.432 nan 8.290 nan 0.000 0.515 997 T N -0.102 114.354 114.554 -0.162 0.000 2.900 997 T HA 0.735 5.096 4.350 0.017 0.000 0.295 997 T C -0.178 174.429 174.700 -0.156 0.000 1.044 997 T CA 0.064 62.053 62.100 -0.186 0.000 0.995 997 T CB 2.121 70.793 68.868 -0.327 0.000 1.072 997 T HN 1.302 nan 8.240 nan 0.000 0.473 998 S N 0.262 115.894 115.700 -0.114 0.000 2.571 998 S HA 0.602 5.083 4.470 0.017 0.000 0.238 998 S C 0.390 174.966 174.600 -0.041 0.000 1.153 998 S CA -0.437 57.748 58.200 -0.025 0.000 1.141 998 S CB 0.527 63.758 63.200 0.051 0.000 1.133 998 S HN 1.751 nan 8.310 nan 0.000 0.464 999 G N 2.795 111.553 108.800 -0.071 0.000 2.438 999 G HA2 -0.088 3.882 3.960 0.017 0.000 0.272 999 G HA3 -0.088 3.882 3.960 0.017 0.000 0.272 999 G C 0.112 174.967 174.900 -0.075 0.000 0.991 999 G CA -0.146 44.914 45.100 -0.067 0.000 1.348 999 G HN 1.223 nan 8.290 nan 0.000 0.483 1000 K N -0.862 119.470 120.400 -0.114 0.000 3.315 1000 K HA -0.146 4.184 4.320 0.017 0.000 0.270 1000 K C 0.568 177.123 176.600 -0.076 0.000 1.139 1000 K CA 1.892 58.126 56.287 -0.089 0.000 0.806 1000 K CB -1.852 30.617 32.500 -0.052 0.000 1.300 1000 K HN 1.681 nan 8.250 nan 0.000 0.475 1001 K N -2.116 118.215 120.400 -0.114 0.000 2.454 1001 K HA 0.627 4.957 4.320 0.017 0.000 0.279 1001 K C -0.978 175.572 176.600 -0.083 0.000 1.020 1001 K CA -0.966 55.278 56.287 -0.072 0.000 0.850 1001 K CB 1.242 33.709 32.500 -0.055 0.000 1.529 1001 K HN -0.057 nan 8.250 nan 0.000 0.390 1002 T N 0.722 115.278 114.554 0.002 0.000 2.876 1002 T HA 0.583 4.943 4.350 0.017 0.000 0.289 1002 T C -0.996 173.763 174.700 0.098 0.000 1.014 1002 T CA -0.837 61.329 62.100 0.111 0.000 0.986 1002 T CB 1.418 70.388 68.868 0.170 0.000 1.021 1002 T HN 0.739 nan 8.240 nan 0.000 0.458 1003 S N 1.181 116.989 115.700 0.180 0.000 2.595 1003 S HA 0.611 5.091 4.470 0.017 0.000 0.281 1003 S C -2.594 172.097 174.600 0.151 0.000 1.117 1003 S CA -1.675 56.600 58.200 0.126 0.000 0.873 1003 S CB 1.890 65.142 63.200 0.087 0.000 1.108 1003 S HN 0.285 nan 8.310 nan 0.000 0.477 1004 P HA -0.119 nan 4.420 nan 0.000 0.216 1004 P C 1.106 178.386 177.300 -0.034 0.000 1.150 1004 P CA 1.394 64.477 63.100 -0.029 0.000 0.837 1004 P CB -0.092 31.529 31.700 -0.132 0.000 0.786 1005 H N -2.798 116.342 119.070 0.117 0.000 2.436 1005 H HA 0.025 4.591 4.556 0.017 0.000 0.294 1005 H C 1.808 177.261 175.328 0.208 0.000 1.048 1005 H CA 0.846 56.974 56.048 0.135 0.000 1.353 1005 H CB -0.705 29.130 29.762 0.121 0.000 1.414 1005 H HN 0.142 nan 8.280 nan 0.000 0.536 1006 F N 1.941 122.002 119.950 0.185 0.000 2.234 1006 F HA -0.092 4.445 4.527 0.017 0.000 0.296 1006 F C 2.361 178.277 175.800 0.193 0.000 1.089 1006 F CA 0.929 59.033 58.000 0.174 0.000 1.343 1006 F CB -0.005 39.044 39.000 0.082 0.000 1.040 1006 F HN 0.007 nan 8.300 nan 0.000 0.498 1007 Q N 0.212 120.080 119.800 0.113 0.000 2.124 1007 Q HA -0.249 4.101 4.340 0.017 0.000 0.202 1007 Q C 2.235 178.200 176.000 -0.058 0.000 0.977 1007 Q CA 1.994 57.791 55.803 -0.010 0.000 0.850 1007 Q CB -0.226 28.535 28.738 0.040 0.000 0.901 1007 Q HN 0.397 nan 8.270 nan 0.000 0.429 1008 K N 0.222 120.621 120.400 -0.001 0.000 2.001 1008 K HA -0.178 4.152 4.320 0.017 0.000 0.208 1008 K C 1.852 178.396 176.600 -0.094 0.000 1.048 1008 K CA 1.151 57.417 56.287 -0.035 0.000 0.932 1008 K CB -0.251 32.268 32.500 0.031 0.000 0.715 1008 K HN 0.111 nan 8.250 nan 0.000 0.437 1009 F N 2.222 122.074 119.950 -0.164 0.000 2.043 1009 F HA -0.352 4.186 4.527 0.018 0.000 0.297 1009 F C 2.177 177.813 175.800 -0.273 0.000 1.118 1009 F CA 2.175 60.053 58.000 -0.205 0.000 1.202 1009 F CB -0.455 38.479 39.000 -0.110 0.000 0.965 1009 F HN 0.187 nan 8.300 nan 0.000 0.482 1010 Q N -0.183 119.427 119.800 -0.315 0.000 2.077 1010 Q HA -0.284 4.066 4.340 0.017 0.000 0.206 1010 Q C 2.164 177.983 176.000 -0.303 0.000 0.989 1010 Q CA 1.945 57.532 55.803 -0.360 0.000 0.853 1010 Q CB -0.588 27.952 28.738 -0.331 0.000 0.907 1010 Q HN 0.533 nan 8.270 nan 0.000 0.418 1011 D N 0.560 120.816 120.400 -0.240 0.000 2.104 1011 D HA -0.169 4.481 4.640 0.017 0.000 0.194 1011 D C 1.783 177.931 176.300 -0.254 0.000 0.994 1011 D CA 1.176 55.061 54.000 -0.192 0.000 0.830 1011 D CB -0.012 40.703 40.800 -0.141 0.000 0.959 1011 D HN 0.254 nan 8.370 nan 0.000 0.452 1012 I N 0.244 120.603 120.570 -0.353 0.000 2.315 1012 I HA -0.242 3.938 4.170 0.017 0.000 0.248 1012 I C 2.854 178.691 176.117 -0.467 0.000 1.117 1012 I CA 0.256 61.302 61.300 -0.424 0.000 1.404 1012 I CB -0.363 37.293 38.000 -0.573 0.000 1.071 1012 I HN 0.122 nan 8.210 nan 0.000 0.419 1013 C N 0.549 119.531 119.300 -0.531 0.000 2.413 1013 C HA -0.142 4.328 4.460 0.017 0.000 0.277 1013 C C 2.964 177.675 174.990 -0.464 0.000 1.228 1013 C CA 0.840 59.554 59.018 -0.506 0.000 1.731 1013 C CB -0.705 26.794 27.740 -0.401 0.000 2.042 1013 C HN 0.356 nan 8.230 nan 0.000 0.468 1014 V N 0.792 120.520 119.914 -0.310 0.000 2.332 1014 V HA -0.272 3.859 4.120 0.017 0.000 0.248 1014 V C 2.420 178.419 176.094 -0.157 0.000 1.055 1014 V CA 2.279 64.459 62.300 -0.201 0.000 1.038 1014 V CB -0.680 31.092 31.823 -0.084 0.000 0.651 1014 V HN 0.557 nan 8.190 nan 0.000 0.450 1015 K N -0.164 120.129 120.400 -0.177 0.000 2.097 1015 K HA -0.102 4.228 4.320 0.017 0.000 0.205 1015 K C 2.201 178.717 176.600 -0.140 0.000 1.050 1015 K CA 1.363 57.571 56.287 -0.133 0.000 0.938 1015 K CB -0.341 32.072 32.500 -0.143 0.000 0.718 1015 K HN 0.463 nan 8.250 nan 0.000 0.442 1016 A N 0.004 122.662 122.820 -0.271 0.000 1.898 1016 A HA -0.173 4.157 4.320 0.017 0.000 0.216 1016 A C 2.004 179.675 177.584 0.144 0.000 1.181 1016 A CA 1.242 53.107 52.037 -0.287 0.000 0.620 1016 A CB -0.846 17.737 19.000 -0.695 0.000 0.819 1016 A HN 0.463 nan 8.150 nan 0.000 0.442 1017 Y N 0.757 120.918 120.300 -0.233 0.000 2.049 1017 Y HA -0.229 4.332 4.550 0.017 0.000 0.277 1017 Y C 2.055 177.887 175.900 -0.113 0.000 1.143 1017 Y CA 1.895 59.847 58.100 -0.247 0.000 1.115 1017 Y CB -0.755 37.317 38.460 -0.646 0.000 0.975 1017 Y HN 0.209 nan 8.280 nan 0.000 0.487 1018 L N -0.293 120.802 121.223 -0.214 0.000 2.137 1018 L HA -0.334 4.016 4.340 0.017 0.000 0.213 1018 L C 2.684 179.375 176.870 -0.298 0.000 1.085 1018 L CA 1.301 55.947 54.840 -0.323 0.000 0.760 1018 L CB -1.066 40.903 42.059 -0.150 0.000 0.893 1018 L HN 0.407 nan 8.230 nan 0.000 0.434 1019 A N 0.143 122.981 122.820 0.031 0.000 1.877 1019 A HA -0.156 4.175 4.320 0.017 0.000 0.216 1019 A C 2.217 179.907 177.584 0.177 0.000 1.186 1019 A CA 1.342 53.540 52.037 0.268 0.000 0.620 1019 A CB -0.623 18.646 19.000 0.448 0.000 0.822 1019 A HN 0.368 nan 8.150 nan 0.000 0.443 1020 L N -1.069 120.205 121.223 0.085 0.000 2.083 1020 L HA -0.188 4.163 4.340 0.017 0.000 0.209 1020 L C 2.788 179.591 176.870 -0.111 0.000 1.083 1020 L CA 1.408 56.223 54.840 -0.041 0.000 0.752 1020 L CB -0.574 41.451 42.059 -0.058 0.000 0.899 1020 L HN 0.376 nan 8.230 nan 0.000 0.433 1021 R N -0.675 119.641 120.500 -0.306 0.000 2.152 1021 R HA -0.153 4.198 4.340 0.017 0.000 0.232 1021 R C 2.049 178.180 176.300 -0.282 0.000 1.117 1021 R CA 1.179 57.055 56.100 -0.375 0.000 0.981 1021 R CB -0.436 29.521 30.300 -0.572 0.000 0.870 1021 R HN 0.518 nan 8.270 nan 0.000 0.451 1022 H N -1.245 117.758 119.070 -0.113 0.000 2.491 1022 H HA -0.016 4.550 4.556 0.017 0.000 0.290 1022 H C 0.882 176.045 175.328 -0.275 0.000 1.050 1022 H CA 0.749 56.694 56.048 -0.171 0.000 1.309 1022 H CB 0.185 29.848 29.762 -0.164 0.000 1.392 1022 H HN 0.234 nan 8.280 nan 0.000 0.554 1023 H N -0.443 118.628 119.070 0.001 0.000 2.488 1023 H HA 0.125 4.691 4.556 0.018 0.000 0.294 1023 H C 1.174 176.470 175.328 -0.054 0.000 1.088 1023 H CA 0.041 56.073 56.048 -0.027 0.000 1.086 1023 H CB 0.562 30.295 29.762 -0.049 0.000 1.569 1023 H HN 0.303 nan 8.280 nan 0.000 0.548 1024 T N 1.289 115.841 114.554 -0.004 0.000 2.597 1024 T HA -0.199 4.161 4.350 0.017 0.000 0.267 1024 T C 1.898 176.594 174.700 -0.007 0.000 1.053 1024 T CA 1.739 63.818 62.100 -0.034 0.000 1.165 1024 T CB 0.080 68.904 68.868 -0.073 0.000 0.863 1024 T HN 0.452 nan 8.240 nan 0.000 0.427 1025 N N 1.059 119.761 118.700 0.004 0.000 2.104 1025 N HA -0.026 4.724 4.740 0.017 0.000 0.190 1025 N C 1.769 177.299 175.510 0.033 0.000 1.024 1025 N CA 0.641 53.702 53.050 0.018 0.000 0.853 1025 N CB -0.697 37.801 38.487 0.019 0.000 1.008 1025 N HN 0.279 nan 8.380 nan 0.000 0.424 1026 L N 0.451 121.701 121.223 0.045 0.000 2.017 1026 L HA -0.125 4.226 4.340 0.017 0.000 0.208 1026 L C 1.826 178.724 176.870 0.047 0.000 1.073 1026 L CA 1.281 56.148 54.840 0.044 0.000 0.745 1026 L CB -0.289 41.811 42.059 0.068 0.000 0.894 1026 L HN 0.200 nan 8.230 nan 0.000 0.432 1027 L N -0.574 120.670 121.223 0.036 0.000 2.056 1027 L HA -0.253 4.097 4.340 0.017 0.000 0.207 1027 L C 2.534 179.446 176.870 0.070 0.000 1.078 1027 L CA 1.138 55.996 54.840 0.029 0.000 0.749 1027 L CB -0.385 41.663 42.059 -0.019 0.000 0.901 1027 L HN 0.235 nan 8.230 nan 0.000 0.433 1028 I N -0.250 120.347 120.570 0.045 0.000 2.151 1028 I HA -0.350 3.831 4.170 0.017 0.000 0.243 1028 I C 2.467 178.670 176.117 0.143 0.000 1.080 1028 I CA 1.354 62.702 61.300 0.079 0.000 1.339 1028 I CB -0.221 37.801 38.000 0.037 0.000 1.039 1028 I HN 0.209 nan 8.210 nan 0.000 0.409 1029 I N 0.447 121.075 120.570 0.096 0.000 2.252 1029 I HA -0.245 3.935 4.170 0.017 0.000 0.245 1029 I C 2.505 178.681 176.117 0.098 0.000 1.102 1029 I CA 1.669 63.020 61.300 0.084 0.000 1.385 1029 I CB -0.808 37.224 38.000 0.054 0.000 1.064 1029 I HN 0.254 nan 8.210 nan 0.000 0.414 1030 L N -0.561 120.727 121.223 0.108 0.000 2.046 1030 L HA -0.257 4.094 4.340 0.017 0.000 0.208 1030 L C 2.635 179.579 176.870 0.123 0.000 1.077 1030 L CA 1.393 56.297 54.840 0.106 0.000 0.747 1030 L CB -0.825 41.294 42.059 0.099 0.000 0.896 1030 L HN 0.124 nan 8.230 nan 0.000 0.432 1031 F N 1.404 121.363 119.950 0.014 0.000 2.095 1031 F HA -0.285 4.252 4.527 0.017 0.000 0.298 1031 F C 2.848 178.663 175.800 0.025 0.000 1.104 1031 F CA 1.874 59.885 58.000 0.017 0.000 1.232 1031 F CB -0.278 38.740 39.000 0.029 0.000 0.987 1031 F HN 0.125 nan 8.300 nan 0.000 0.475 1032 S N -0.001 115.761 115.700 0.102 0.000 2.406 1032 S HA -0.202 4.278 4.470 0.017 0.000 0.228 1032 S C 2.060 176.633 174.600 -0.045 0.000 1.020 1032 S CA 1.244 59.436 58.200 -0.013 0.000 0.965 1032 S CB -0.726 62.522 63.200 0.080 0.000 0.798 1032 S HN 0.521 nan 8.310 nan 0.000 0.488 1033 M N 0.736 120.346 119.600 0.016 0.000 2.175 1033 M HA 0.051 4.541 4.480 0.017 0.000 0.264 1033 M C 2.488 178.803 176.300 0.024 0.000 1.063 1033 M CA 1.631 56.986 55.300 0.091 0.000 1.119 1033 M CB -0.393 32.290 32.600 0.139 0.000 1.377 1033 M HN 0.450 nan 8.290 nan 0.000 0.415 1034 M N 0.524 120.086 119.600 -0.064 0.000 2.080 1034 M HA -0.239 4.251 4.480 0.017 0.000 0.260 1034 M C 1.846 178.043 176.300 -0.171 0.000 1.068 1034 M CA 1.734 56.958 55.300 -0.127 0.000 1.109 1034 M CB -0.115 32.388 32.600 -0.161 0.000 1.342 1034 M HN 0.258 nan 8.290 nan 0.000 0.405 1035 L N -0.229 120.836 121.223 -0.264 0.000 2.083 1035 L HA -0.216 4.134 4.340 0.017 0.000 0.209 1035 L C 2.477 179.287 176.870 -0.100 0.000 1.083 1035 L CA 1.393 56.089 54.840 -0.240 0.000 0.752 1035 L CB -0.600 41.255 42.059 -0.340 0.000 0.899 1035 L HN 0.499 nan 8.230 nan 0.000 0.433 1036 M N -1.065 118.516 119.600 -0.031 0.000 2.388 1036 M HA -0.072 4.419 4.480 0.017 0.000 0.265 1036 M C 1.922 178.240 176.300 0.031 0.000 1.088 1036 M CA 1.659 56.990 55.300 0.053 0.000 1.134 1036 M CB -0.147 32.556 32.600 0.172 0.000 1.384 1036 M HN 0.341 nan 8.290 nan 0.000 0.447 1037 T N -4.477 110.067 114.554 -0.018 0.000 3.010 1037 T HA 0.258 4.618 4.350 0.017 0.000 0.257 1037 T C 1.411 176.044 174.700 -0.112 0.000 1.020 1037 T CA 0.475 62.510 62.100 -0.109 0.000 0.938 1037 T CB 0.307 69.070 68.868 -0.175 0.000 1.049 1037 T HN 0.343 nan 8.240 nan 0.000 0.522 1038 G N 1.008 109.749 108.800 -0.098 0.000 2.781 1038 G HA2 0.385 4.355 3.960 0.017 0.000 0.208 1038 G HA3 0.385 4.355 3.960 0.017 0.000 0.208 1038 G C 0.540 175.384 174.900 -0.093 0.000 1.099 1038 G CA -0.282 44.756 45.100 -0.103 0.000 0.776 1038 G HN 0.312 nan 8.290 nan 0.000 0.532 1039 M N 0.422 119.974 119.600 -0.080 0.000 2.792 1039 M HA 0.402 4.892 4.480 0.017 0.000 0.294 1039 M C -1.638 174.631 176.300 -0.052 0.000 1.215 1039 M CA -2.252 53.011 55.300 -0.062 0.000 0.883 1039 M CB 0.278 32.857 32.600 -0.035 0.000 1.620 1039 M HN -0.204 nan 8.290 nan 0.000 0.511 1040 P HA -0.033 nan 4.420 nan 0.000 0.211 1040 P C -0.344 176.951 177.300 -0.010 0.000 1.158 1040 P CA 0.742 63.829 63.100 -0.022 0.000 0.704 1040 P CB -0.005 31.698 31.700 0.005 0.000 0.618 1041 Q N -0.010 119.798 119.800 0.013 0.000 2.256 1041 Q HA 0.500 4.850 4.340 0.017 0.000 0.257 1041 Q C -0.789 175.271 176.000 0.100 0.000 0.936 1041 Q CA -0.466 55.364 55.803 0.045 0.000 0.903 1041 Q CB 0.448 29.183 28.738 -0.005 0.000 1.263 1041 Q HN 0.228 nan 8.270 nan 0.000 0.440 1042 L N 0.689 122.012 121.223 0.166 0.000 2.424 1042 L HA 0.719 5.069 4.340 0.017 0.000 0.258 1042 L C -0.984 175.978 176.870 0.153 0.000 0.995 1042 L CA -0.701 54.219 54.840 0.132 0.000 0.821 1042 L CB 0.951 43.035 42.059 0.041 0.000 1.383 1042 L HN 0.575 nan 8.230 nan 0.000 0.410 1043 T N 0.098 114.703 114.554 0.086 0.000 2.771 1043 T HA 0.319 4.680 4.350 0.017 0.000 0.291 1043 T C 0.822 175.455 174.700 -0.112 0.000 0.954 1043 T CA -0.298 61.799 62.100 -0.005 0.000 1.045 1043 T CB 0.651 69.558 68.868 0.065 0.000 0.917 1043 T HN 0.601 nan 8.240 nan 0.000 0.484 1044 S N 3.170 118.691 115.700 -0.299 0.000 3.544 1044 S HA 0.114 4.594 4.470 0.017 0.000 0.227 1044 S C 1.009 175.534 174.600 -0.125 0.000 1.387 1044 S CA -0.498 57.561 58.200 -0.235 0.000 1.182 1044 S CB -0.865 62.118 63.200 -0.361 0.000 1.243 1044 S HN 0.919 nan 8.310 nan 0.000 0.467 1045 K N -1.296 119.074 120.400 -0.049 0.000 2.328 1045 K HA 0.068 4.399 4.320 0.017 0.000 0.096 1045 K C -0.078 176.542 176.600 0.034 0.000 1.620 1045 K CA -0.102 56.183 56.287 -0.003 0.000 0.878 1045 K CB -0.761 31.728 32.500 -0.019 0.000 2.343 1045 K HN 0.194 nan 8.250 nan 0.000 0.442 1046 E N 0.822 121.054 120.200 0.053 0.000 2.629 1046 E HA 0.058 4.419 4.350 0.017 0.000 0.197 1046 E C 0.509 177.188 176.600 0.132 0.000 0.955 1046 E CA 0.172 56.623 56.400 0.085 0.000 1.191 1046 E CB 0.168 29.913 29.700 0.075 0.000 1.175 1046 E HN 0.205 nan 8.360 nan 0.000 0.501 1047 D N 1.427 121.902 120.400 0.125 0.000 2.097 1047 D HA -0.073 4.578 4.640 0.017 0.000 0.197 1047 D C 2.133 178.623 176.300 0.317 0.000 0.984 1047 D CA 1.046 55.147 54.000 0.167 0.000 0.826 1047 D CB 0.097 40.953 40.800 0.093 0.000 0.973 1047 D HN 0.116 nan 8.370 nan 0.000 0.460 1048 I N 0.936 121.671 120.570 0.275 0.000 2.286 1048 I HA -0.169 4.011 4.170 0.017 0.000 0.245 1048 I C 2.219 178.530 176.117 0.323 0.000 1.104 1048 I CA 0.765 62.328 61.300 0.437 0.000 1.397 1048 I CB -0.174 37.959 38.000 0.223 0.000 1.072 1048 I HN -0.123 nan 8.210 nan 0.000 0.417 1049 E N 0.151 120.457 120.200 0.177 0.000 2.510 1049 E HA -0.256 4.104 4.350 0.017 0.000 0.202 1049 E C 1.796 178.435 176.600 0.064 0.000 1.072 1049 E CA 0.440 56.892 56.400 0.087 0.000 0.883 1049 E CB -0.112 29.623 29.700 0.057 0.000 0.818 1049 E HN 0.518 nan 8.360 nan 0.000 0.548 1050 Y N 0.047 120.354 120.300 0.013 0.000 2.200 1050 Y HA -0.180 4.381 4.550 0.018 0.000 0.290 1050 Y C 1.850 177.633 175.900 -0.196 0.000 1.137 1050 Y CA 1.609 59.675 58.100 -0.055 0.000 1.163 1050 Y CB -0.046 38.414 38.460 -0.000 0.000 0.988 1050 Y HN 0.120 nan 8.280 nan 0.000 0.518 1051 I N 0.737 121.112 120.570 -0.325 0.000 2.676 1051 I HA -0.204 3.977 4.170 0.017 0.000 0.259 1051 I C 2.601 178.518 176.117 -0.334 0.000 1.194 1051 I CA 1.191 62.182 61.300 -0.515 0.000 1.473 1051 I CB -0.329 37.184 38.000 -0.812 0.000 1.096 1051 I HN 0.310 nan 8.210 nan 0.000 0.443 1052 R N 0.478 120.845 120.500 -0.221 0.000 2.073 1052 R HA -0.194 4.156 4.340 0.017 0.000 0.234 1052 R C 1.638 177.828 176.300 -0.183 0.000 1.134 1052 R CA 2.197 58.204 56.100 -0.154 0.000 0.952 1052 R CB -0.722 29.522 30.300 -0.094 0.000 0.850 1052 R HN 0.315 nan 8.270 nan 0.000 0.433 1053 D N 0.777 121.030 120.400 -0.244 0.000 2.123 1053 D HA -0.068 4.583 4.640 0.017 0.000 0.200 1053 D C 2.042 178.206 176.300 -0.226 0.000 0.976 1053 D CA 1.527 55.381 54.000 -0.243 0.000 0.831 1053 D CB -0.246 40.416 40.800 -0.230 0.000 0.974 1053 D HN 0.455 nan 8.370 nan 0.000 0.469 1054 A N 1.156 123.697 122.820 -0.465 0.000 1.883 1054 A HA -0.142 4.188 4.320 0.017 0.000 0.217 1054 A C 2.284 179.959 177.584 0.151 0.000 1.186 1054 A CA 1.087 52.861 52.037 -0.439 0.000 0.624 1054 A CB -0.801 17.669 19.000 -0.883 0.000 0.822 1054 A HN 0.197 nan 8.150 nan 0.000 0.444 1055 L N -1.355 119.884 121.223 0.025 0.000 2.558 1055 L HA 0.037 4.388 4.340 0.017 0.000 0.225 1055 L C 1.027 177.929 176.870 0.052 0.000 1.128 1055 L CA 0.611 55.506 54.840 0.091 0.000 0.868 1055 L CB -0.068 41.947 42.059 -0.073 0.000 1.006 1055 L HN 0.419 nan 8.230 nan 0.000 0.454 1056 T N 0.047 114.605 114.554 0.007 0.000 3.886 1056 T HA -0.156 4.205 4.350 0.017 0.000 0.371 1056 T C 0.292 174.930 174.700 -0.103 0.000 0.760 1056 T CA -0.122 61.916 62.100 -0.104 0.000 1.966 1056 T CB -1.089 67.723 68.868 -0.093 0.000 1.793 1056 T HN 0.022 nan 8.240 nan 0.000 0.798 1057 V N 1.007 120.859 119.914 -0.104 0.000 2.752 1057 V HA 0.282 4.412 4.120 0.017 0.000 0.306 1057 V C 1.812 177.859 176.094 -0.079 0.000 1.099 1057 V CA 1.459 63.706 62.300 -0.089 0.000 1.240 1057 V CB 0.391 32.168 31.823 -0.078 0.000 0.887 1057 V HN 1.538 nan 8.190 nan 0.000 0.499 1058 G N 3.609 112.370 108.800 -0.066 0.000 2.272 1058 G HA2 -0.202 3.768 3.960 0.017 0.000 0.280 1058 G HA3 -0.202 3.768 3.960 0.017 0.000 0.280 1058 G C -0.079 174.791 174.900 -0.049 0.000 1.067 1058 G CA 0.162 45.232 45.100 -0.051 0.000 0.902 1058 G HN 0.566 nan 8.290 nan 0.000 0.500 1059 K N -0.306 120.062 120.400 -0.053 0.000 2.385 1059 K HA 0.362 4.693 4.320 0.017 0.000 0.248 1059 K C 0.414 176.997 176.600 -0.029 0.000 0.955 1059 K CA -0.739 55.525 56.287 -0.039 0.000 0.816 1059 K CB 1.539 34.015 32.500 -0.041 0.000 1.250 1059 K HN 0.430 nan 8.250 nan 0.000 0.434 1060 N N -0.301 118.392 118.700 -0.011 0.000 2.444 1060 N HA 0.010 4.760 4.740 0.017 0.000 0.255 1060 N C 0.575 176.088 175.510 0.005 0.000 1.255 1060 N CA -0.024 53.023 53.050 -0.003 0.000 0.933 1060 N CB 0.646 39.136 38.487 0.006 0.000 1.143 1060 N HN 0.446 nan 8.380 nan 0.000 0.453 1061 E N -0.149 120.053 120.200 0.003 0.000 2.160 1061 E HA -0.228 4.132 4.350 0.017 0.000 0.195 1061 E C 1.026 177.652 176.600 0.044 0.000 0.991 1061 E CA 1.308 57.712 56.400 0.007 0.000 0.810 1061 E CB -0.030 29.673 29.700 0.005 0.000 0.742 1061 E HN 0.686 nan 8.360 nan 0.000 0.466 1062 E N 1.331 121.557 120.200 0.043 0.000 2.047 1062 E HA -0.180 4.181 4.350 0.017 0.000 0.191 1062 E C 1.660 178.308 176.600 0.080 0.000 0.987 1062 E CA 0.888 57.321 56.400 0.055 0.000 0.799 1062 E CB -0.498 29.227 29.700 0.041 0.000 0.752 1062 E HN 0.216 nan 8.360 nan 0.000 0.449 1063 D N 1.634 122.077 120.400 0.072 0.000 2.103 1063 D HA -0.158 4.493 4.640 0.017 0.000 0.190 1063 D C 1.971 178.369 176.300 0.163 0.000 0.997 1063 D CA 2.182 56.237 54.000 0.092 0.000 0.833 1063 D CB -0.543 40.288 40.800 0.051 0.000 0.961 1063 D HN 0.229 nan 8.370 nan 0.000 0.447 1064 A N 1.044 123.965 122.820 0.168 0.000 1.884 1064 A HA -0.307 4.023 4.320 0.017 0.000 0.219 1064 A C 2.077 179.905 177.584 0.407 0.000 1.197 1064 A CA 2.634 54.864 52.037 0.321 0.000 0.637 1064 A CB -0.755 18.375 19.000 0.216 0.000 0.827 1064 A HN 0.294 nan 8.150 nan 0.000 0.450 1065 K N -0.300 120.255 120.400 0.258 0.000 2.057 1065 K HA -0.252 4.078 4.320 0.017 0.000 0.207 1065 K C 2.128 178.837 176.600 0.183 0.000 1.049 1065 K CA 1.993 58.404 56.287 0.206 0.000 0.931 1065 K CB -0.194 32.376 32.500 0.117 0.000 0.714 1065 K HN 0.323 nan 8.250 nan 0.000 0.440 1066 K N 0.400 120.897 120.400 0.161 0.000 1.991 1066 K HA -0.250 4.080 4.320 0.017 0.000 0.212 1066 K C 2.097 178.787 176.600 0.149 0.000 1.049 1066 K CA 1.990 58.355 56.287 0.130 0.000 0.932 1066 K CB -0.825 31.745 32.500 0.117 0.000 0.717 1066 K HN 0.340 nan 8.250 nan 0.000 0.441 1067 Y N -0.343 120.005 120.300 0.079 0.000 2.102 1067 Y HA -0.312 4.250 4.550 0.019 0.000 0.280 1067 Y C 1.979 177.877 175.900 -0.004 0.000 1.178 1067 Y CA 2.230 60.367 58.100 0.061 0.000 1.146 1067 Y CB -0.448 38.085 38.460 0.122 0.000 0.968 1067 Y HN 0.213 nan 8.280 nan 0.000 0.504 1068 F N 0.288 120.093 119.950 -0.241 0.000 2.134 1068 F HA -0.192 4.345 4.527 0.017 0.000 0.299 1068 F C 1.866 177.468 175.800 -0.329 0.000 1.097 1068 F CA 1.561 59.256 58.000 -0.509 0.000 1.264 1068 F CB -0.439 38.233 39.000 -0.546 0.000 1.001 1068 F HN 0.046 nan 8.300 nan 0.000 0.479 1069 L N -0.195 120.976 121.223 -0.086 0.000 2.362 1069 L HA -0.184 4.166 4.340 0.017 0.000 0.219 1069 L C 1.904 178.687 176.870 -0.146 0.000 1.134 1069 L CA 0.789 55.575 54.840 -0.089 0.000 0.807 1069 L CB -0.664 41.406 42.059 0.018 0.000 0.927 1069 L HN 0.096 nan 8.230 nan 0.000 0.447 1070 D N -0.436 119.847 120.400 -0.194 0.000 2.117 1070 D HA -0.163 4.488 4.640 0.017 0.000 0.198 1070 D C 2.229 178.349 176.300 -0.300 0.000 0.982 1070 D CA 0.924 54.807 54.000 -0.195 0.000 0.828 1070 D CB -0.102 40.597 40.800 -0.168 0.000 0.967 1070 D HN 0.325 nan 8.370 nan 0.000 0.464 1071 Q N 0.748 120.247 119.800 -0.502 0.000 2.096 1071 Q HA -0.103 4.247 4.340 0.017 0.000 0.204 1071 Q C 2.639 178.321 176.000 -0.529 0.000 0.982 1071 Q CA 0.623 56.052 55.803 -0.623 0.000 0.850 1071 Q CB -0.523 27.657 28.738 -0.930 0.000 0.901 1071 Q HN 0.457 nan 8.270 nan 0.000 0.422 1072 I N 1.105 121.484 120.570 -0.319 0.000 2.194 1072 I HA -0.251 3.929 4.170 0.017 0.000 0.246 1072 I C 2.097 178.171 176.117 -0.070 0.000 1.093 1072 I CA 1.282 62.559 61.300 -0.039 0.000 1.355 1072 I CB -0.412 37.645 38.000 0.095 0.000 1.046 1072 I HN 0.181 nan 8.210 nan 0.000 0.413 1073 E N 0.524 120.663 120.200 -0.102 0.000 2.216 1073 E HA -0.079 4.281 4.350 0.017 0.000 0.192 1073 E C 2.450 178.971 176.600 -0.132 0.000 0.988 1073 E CA 0.750 57.103 56.400 -0.078 0.000 0.834 1073 E CB -0.088 29.581 29.700 -0.050 0.000 0.772 1073 E HN 0.342 nan 8.360 nan 0.000 0.479 1074 V N 0.971 120.765 119.914 -0.200 0.000 2.295 1074 V HA -0.291 3.840 4.120 0.017 0.000 0.246 1074 V C 2.524 178.488 176.094 -0.216 0.000 1.049 1074 V CA 1.642 63.823 62.300 -0.198 0.000 1.024 1074 V CB -0.649 31.037 31.823 -0.228 0.000 0.648 1074 V HN 0.320 nan 8.190 nan 0.000 0.447 1075 C N -0.244 118.871 119.300 -0.308 0.000 2.403 1075 C HA -0.149 4.321 4.460 0.017 0.000 0.279 1075 C C 2.857 177.715 174.990 -0.221 0.000 1.269 1075 C CA 0.638 59.477 59.018 -0.298 0.000 1.774 1075 C CB -1.348 26.164 27.740 -0.380 0.000 1.993 1075 C HN 0.476 nan 8.230 nan 0.000 0.496 1076 R N 1.138 121.533 120.500 -0.175 0.000 2.061 1076 R HA -0.089 4.261 4.340 0.017 0.000 0.230 1076 R C 1.799 178.021 176.300 -0.130 0.000 1.140 1076 R CA 1.410 57.420 56.100 -0.149 0.000 0.940 1076 R CB -1.080 29.156 30.300 -0.107 0.000 0.839 1076 R HN 0.607 nan 8.270 nan 0.000 0.429 1077 D N 1.177 121.514 120.400 -0.104 0.000 2.204 1077 D HA -0.222 4.428 4.640 0.017 0.000 0.189 1077 D C 1.523 177.783 176.300 -0.066 0.000 1.006 1077 D CA 1.933 55.888 54.000 -0.075 0.000 0.855 1077 D CB -0.039 40.721 40.800 -0.066 0.000 0.946 1077 D HN 0.209 nan 8.370 nan 0.000 0.448 1078 K N -0.148 120.206 120.400 -0.077 0.000 2.367 1078 K HA 0.231 4.562 4.320 0.017 0.000 0.194 1078 K C 1.610 178.178 176.600 -0.053 0.000 1.027 1078 K CA 0.506 56.768 56.287 -0.041 0.000 1.075 1078 K CB 0.382 32.864 32.500 -0.030 0.000 0.845 1078 K HN 0.190 nan 8.250 nan 0.000 0.529 1079 G N 1.740 110.445 108.800 -0.158 0.000 3.344 1079 G HA2 -0.348 3.622 3.960 0.017 0.000 0.370 1079 G HA3 -0.348 3.622 3.960 0.017 0.000 0.370 1079 G C 0.871 175.575 174.900 -0.326 0.000 1.646 1079 G CA 1.321 46.219 45.100 -0.336 0.000 1.686 1079 G HN 0.564 nan 8.290 nan 0.000 0.823 1080 W N 1.226 122.554 121.300 0.046 0.000 3.278 1080 W HA 0.396 5.067 4.660 0.018 0.000 0.308 1080 W C 2.610 179.248 176.519 0.199 0.000 1.253 1080 W CA 0.268 57.694 57.345 0.134 0.000 1.759 1080 W CB 0.244 29.844 29.460 0.234 0.000 1.093 1080 W HN 0.312 nan 8.180 nan 0.000 0.648 1081 T N 0.726 115.456 114.554 0.294 0.000 2.643 1081 T HA -0.220 4.140 4.350 0.017 0.000 0.264 1081 T C 1.867 176.687 174.700 0.198 0.000 1.045 1081 T CA 1.780 64.028 62.100 0.247 0.000 1.155 1081 T CB -0.639 68.301 68.868 0.119 0.000 0.863 1081 T HN -0.112 nan 8.240 nan 0.000 0.420 1082 V N 1.712 121.673 119.914 0.078 0.000 2.427 1082 V HA -0.145 3.985 4.120 0.017 0.000 0.248 1082 V C 2.776 178.820 176.094 -0.083 0.000 1.051 1082 V CA 1.300 63.538 62.300 -0.105 0.000 1.048 1082 V CB -0.684 31.080 31.823 -0.099 0.000 0.666 1082 V HN 0.387 nan 8.190 nan 0.000 0.456 1083 Q N -0.299 119.685 119.800 0.308 0.000 2.014 1083 Q HA -0.245 4.105 4.340 0.017 0.000 0.207 1083 Q C 2.208 178.638 176.000 0.717 0.000 0.993 1083 Q CA 2.277 58.469 55.803 0.649 0.000 0.850 1083 Q CB -0.793 28.303 28.738 0.597 0.000 0.916 1083 Q HN 0.687 nan 8.270 nan 0.000 0.417 1084 F N 2.482 122.738 119.950 0.510 0.000 2.120 1084 F HA -0.219 4.318 4.527 0.017 0.000 0.300 1084 F C 1.704 177.593 175.800 0.148 0.000 1.095 1084 F CA 1.436 59.639 58.000 0.337 0.000 1.249 1084 F CB -0.518 38.591 39.000 0.181 0.000 0.995 1084 F HN 0.068 nan 8.300 nan 0.000 0.480 1085 N N 0.314 118.737 118.700 -0.461 0.000 2.137 1085 N HA -0.250 4.500 4.740 0.017 0.000 0.190 1085 N C 1.707 176.722 175.510 -0.824 0.000 1.017 1085 N CA 1.976 54.504 53.050 -0.870 0.000 0.859 1085 N CB -0.905 37.112 38.487 -0.784 0.000 1.002 1085 N HN 0.546 nan 8.380 nan 0.000 0.428 1086 W N 0.454 121.557 121.300 -0.328 0.000 2.304 1086 W HA -0.151 4.519 4.660 0.017 0.000 0.315 1086 W C 2.068 178.358 176.519 -0.382 0.000 1.233 1086 W CA 0.380 57.525 57.345 -0.332 0.000 1.261 1086 W CB -0.910 28.308 29.460 -0.403 0.000 1.150 1086 W HN -0.001 nan 8.180 nan 0.000 0.494 1087 F N -0.610 119.291 119.950 -0.082 0.000 2.259 1087 F HA -0.090 4.448 4.527 0.017 0.000 0.298 1087 F C 2.358 178.041 175.800 -0.195 0.000 1.088 1087 F CA 1.043 58.990 58.000 -0.088 0.000 1.358 1087 F CB -0.678 38.325 39.000 0.007 0.000 1.040 1087 F HN -0.195 nan 8.300 nan 0.000 0.505 1088 L N -0.563 120.476 121.223 -0.307 0.000 2.017 1088 L HA -0.258 4.092 4.340 0.017 0.000 0.208 1088 L C 2.587 179.374 176.870 -0.138 0.000 1.073 1088 L CA 1.470 56.098 54.840 -0.353 0.000 0.745 1088 L CB -0.571 41.054 42.059 -0.723 0.000 0.894 1088 L HN 0.174 nan 8.230 nan 0.000 0.432 1089 H N 0.112 119.090 119.070 -0.153 0.000 2.422 1089 H HA -0.142 4.425 4.556 0.017 0.000 0.298 1089 H C 2.098 177.389 175.328 -0.063 0.000 1.098 1089 H CA 1.022 57.009 56.048 -0.101 0.000 1.315 1089 H CB -0.561 29.144 29.762 -0.096 0.000 1.382 1089 H HN 0.352 nan 8.280 nan 0.000 0.523 1090 L N 1.039 122.289 121.223 0.046 0.000 2.721 1090 L HA -0.080 4.270 4.340 0.017 0.000 0.241 1090 L C 0.900 177.791 176.870 0.036 0.000 1.168 1090 L CA 0.414 55.264 54.840 0.017 0.000 0.866 1090 L CB -0.025 42.014 42.059 -0.035 0.000 0.996 1090 L HN 0.159 nan 8.230 nan 0.000 0.451 1091 V N -4.520 115.419 119.914 0.042 0.000 3.432 1091 V HA 0.205 4.335 4.120 0.017 0.000 0.290 1091 V C 0.315 176.429 176.094 0.034 0.000 1.591 1091 V CA -0.332 61.990 62.300 0.036 0.000 1.069 1091 V CB 0.362 32.208 31.823 0.039 0.000 0.892 1091 V HN 0.097 nan 8.190 nan 0.000 0.436 1092 L N 1.985 123.237 121.223 0.049 0.000 2.470 1092 L HA 0.867 5.217 4.340 0.017 0.000 0.253 1092 L C 0.200 177.073 176.870 0.005 0.000 1.163 1092 L CA 0.284 55.147 54.840 0.038 0.000 0.932 1092 L CB 1.021 43.115 42.059 0.059 0.000 1.213 1092 L HN 0.428 nan 8.230 nan 0.000 0.485 1093 G N 0.000 108.788 108.800 -0.019 0.000 5.446 1093 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 1093 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 1093 G CA 0.000 nan 45.100 nan 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925