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 3mwy_1_W DATA FIRST_RESID 175 DATA SEQUENCE DFHGIDIVIN HRLKTSXXXX XXXXKTVPDL NNCKENYEFL IKWTDESHLH DATA SEQUENCE NTWETYESIG QVRGLKRLDN YCKQFIIEDQ QVRLDPYVTA EDIEIMDMER DATA SEQUENCE ERRLDEFEEF HVPERIIDSQ RASLEDGTSQ LQYLVKWRRL NYDEATWENA DATA SEQUENCE TDIVKLAPEQ VKHFQNRENS KILPQYSSNY TSQRPRFEKL SVQPPFIKGG DATA SEQUENCE ELRDFQLTGI NWMAFLWSKG DNGILADEMG LGKTVQTVAF ISWLIFARRQ DATA SEQUENCE NGPHIIVVPL STMPAWLDTF EKWAPDLNCI CYMGNQKSRD TIREYEFYTN DATA SEQUENCE PXXXXXKTMK FNVLLTTYEY ILKDRAELGS IKWQFMAVDE AHRLKNAESS DATA SEQUENCE LYESLNSFKV ANRMLITGTP LQNNIKELAA LVNFLMPGRF XXXXXXXXXN DATA SEQUENCE QDEEQEEYIH DLHRRIQPFI LRRLKKDVEK SLPSKTERIL RVELSDVQTE DATA SEQUENCE YYKNILTKNY SXXXXXXXXX XFSLLNIMNE LKKASNHPYL FDNAEERVLQ DATA SEQUENCE KFXXXXMTRE NVLRGLIMSS GKMVLLDQLL TRLKKDGHRV LIFSQMVRML DATA SEQUENCE DILGDYLSIK GINFQRLDGT VPSAQRRISI DHFNSPDSND FVFLLSTRAG DATA SEQUENCE GLGINLMTAD TVVIFDSDWN PQADLQAMAR AHRIGQKNHV MVYRLVSKDT DATA SEQUENCE VEEEVLERAR KKMILEYXXX XXXXXXXXXX XXXNEPNAGE LSAILKFGAG DATA SEQUENCE NMFTATDNQK KLEDLNLDDV LNHAEDHVTT PDLGESHLGG EEFLKQFE 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 175 D HA 0.000 nan 4.640 nan 0.000 0.175 175 D C 0.000 176.208 176.300 -0.154 0.000 2.045 175 D CA 0.000 53.829 54.000 -0.285 0.000 0.868 175 D CB 0.000 40.548 40.800 -0.420 0.000 0.688 176 F N 2.357 122.335 119.950 0.047 0.000 2.650 176 F HA 0.517 5.045 4.527 0.001 0.000 0.338 176 F C 0.370 176.196 175.800 0.042 0.000 1.311 176 F CA -0.628 57.390 58.000 0.030 0.000 1.106 176 F CB -0.662 38.340 39.000 0.003 0.000 1.500 176 F HN 0.086 nan 8.300 nan 0.000 0.670 177 H N 1.595 120.720 119.070 0.091 0.000 2.463 177 H HA 0.750 5.307 4.556 0.001 0.000 0.332 177 H C 0.357 175.613 175.328 -0.119 0.000 1.127 177 H CA 0.296 56.356 56.048 0.020 0.000 1.238 177 H CB 1.523 31.293 29.762 0.015 0.000 1.478 177 H HN 0.744 nan 8.280 nan 0.000 0.499 178 G N 3.166 111.563 108.800 -0.673 0.000 2.104 178 G HA2 -0.035 3.926 3.960 0.002 0.000 0.055 178 G HA3 -0.035 3.926 3.960 0.002 0.000 0.055 178 G C -1.168 173.288 174.900 -0.739 0.000 0.815 178 G CA -0.086 44.604 45.100 -0.684 0.000 1.125 178 G HN 0.597 nan 8.290 nan 0.000 0.379 179 I N 2.022 122.332 120.570 -0.433 0.000 2.359 179 I HA 0.385 4.556 4.170 0.002 0.000 0.284 179 I C 0.599 176.603 176.117 -0.189 0.000 1.018 179 I CA -0.553 60.550 61.300 -0.328 0.000 1.173 179 I CB 1.644 39.474 38.000 -0.282 0.000 1.326 179 I HN 0.422 nan 8.210 nan 0.000 0.462 180 D N 6.842 127.166 120.400 -0.128 0.000 2.087 180 D HA 0.080 4.721 4.640 0.002 0.000 0.201 180 D C 0.425 176.695 176.300 -0.050 0.000 0.980 180 D CA 1.787 55.752 54.000 -0.058 0.000 0.849 180 D CB 0.419 41.219 40.800 0.001 0.000 1.001 180 D HN 0.535 nan 8.370 nan 0.000 0.452 181 I N -2.350 118.192 120.570 -0.047 0.000 3.093 181 I HA 0.367 4.538 4.170 0.002 0.000 0.308 181 I C -1.093 174.929 176.117 -0.159 0.000 1.303 181 I CA -1.312 59.950 61.300 -0.063 0.000 0.975 181 I CB 2.435 40.461 38.000 0.044 0.000 1.286 181 I HN -0.359 nan 8.210 nan 0.000 0.459 182 V N 3.055 122.815 119.914 -0.256 0.000 2.394 182 V HA 0.297 4.418 4.120 0.002 0.000 0.282 182 V C 0.469 176.206 176.094 -0.595 0.000 1.031 182 V CA -0.050 61.979 62.300 -0.452 0.000 0.881 182 V CB 1.333 32.775 31.823 -0.634 0.000 0.982 182 V HN 0.651 nan 8.190 nan 0.000 0.451 183 I N 3.859 124.083 120.570 -0.577 0.000 2.685 183 I HA 0.216 4.387 4.170 0.002 0.000 0.251 183 I C 0.958 176.823 176.117 -0.419 0.000 1.102 183 I CA 0.989 61.904 61.300 -0.641 0.000 1.442 183 I CB 0.003 37.670 38.000 -0.556 0.000 1.194 183 I HN 0.741 nan 8.210 nan 0.000 0.448 184 N N -2.048 116.468 118.700 -0.307 0.000 3.418 184 N HA 0.413 5.154 4.740 0.002 0.000 0.316 184 N C -1.576 174.048 175.510 0.190 0.000 1.601 184 N CA -0.678 52.414 53.050 0.069 0.000 0.805 184 N CB 1.349 39.896 38.487 0.100 0.000 1.873 184 N HN 0.172 nan 8.380 nan 0.000 0.615 185 H N -0.884 118.229 119.070 0.071 0.000 3.024 185 H HA 0.632 5.189 4.556 0.002 0.000 0.324 185 H C -1.601 173.688 175.328 -0.065 0.000 1.347 185 H CA -0.857 55.105 56.048 -0.143 0.000 1.182 185 H CB 0.994 30.319 29.762 -0.727 0.000 1.889 185 H HN 0.828 nan 8.280 nan 0.000 0.528 186 R N 0.475 120.912 120.500 -0.104 0.000 2.728 186 R HA 0.433 4.774 4.340 0.002 0.000 0.274 186 R C -0.762 175.666 176.300 0.213 0.000 1.032 186 R CA -0.749 55.330 56.100 -0.035 0.000 0.866 186 R CB 0.187 30.351 30.300 -0.228 0.000 1.263 186 R HN 0.603 nan 8.270 nan 0.000 0.475 187 L N -0.853 120.451 121.223 0.134 0.000 2.463 187 L HA 0.142 4.483 4.340 0.002 0.000 0.300 187 L C -0.142 176.670 176.870 -0.097 0.000 1.315 187 L CA 0.307 55.120 54.840 -0.045 0.000 0.824 187 L CB 0.022 42.054 42.059 -0.045 0.000 1.058 187 L HN 0.782 nan 8.230 nan 0.000 0.588 188 K N -1.453 118.883 120.400 -0.107 0.000 1.998 188 K HA 0.375 4.696 4.320 0.002 0.000 0.250 188 K C -0.437 176.117 176.600 -0.077 0.000 0.935 188 K CA -0.626 55.605 56.287 -0.093 0.000 0.795 188 K CB 0.736 33.195 32.500 -0.069 0.000 1.581 188 K HN 0.580 nan 8.250 nan 0.000 0.493 189 T N 1.450 115.969 114.554 -0.060 0.000 4.282 189 T HA 0.171 4.522 4.350 0.002 0.000 0.231 189 T C -0.432 174.243 174.700 -0.042 0.000 1.004 189 T CA 0.310 62.382 62.100 -0.047 0.000 1.146 189 T CB -0.620 68.227 68.868 -0.034 0.000 1.285 189 T HN 0.352 nan 8.240 nan 0.000 0.971 200 T N -1.825 112.746 114.554 0.028 0.000 3.039 200 T HA 0.178 4.529 4.350 0.002 0.000 0.250 200 T C 0.882 175.603 174.700 0.035 0.000 1.052 200 T CA 0.236 62.355 62.100 0.031 0.000 1.125 200 T CB 0.188 69.065 68.868 0.017 0.000 0.908 200 T HN 0.121 nan 8.240 nan 0.000 0.473 201 V N 5.104 125.036 119.914 0.030 0.000 2.294 201 V HA 0.495 4.616 4.120 0.002 0.000 0.272 201 V C -2.477 173.644 176.094 0.044 0.000 1.027 201 V CA -2.274 60.046 62.300 0.033 0.000 0.823 201 V CB 1.076 32.911 31.823 0.020 0.000 1.030 201 V HN 0.341 nan 8.190 nan 0.000 0.457 202 P HA 0.550 nan 4.420 nan 0.000 0.285 202 P C -1.506 175.837 177.300 0.073 0.000 1.269 202 P CA -0.375 62.776 63.100 0.085 0.000 0.844 202 P CB 1.852 33.640 31.700 0.148 0.000 1.094 203 D N 0.039 120.480 120.400 0.067 0.000 2.374 203 D HA 0.113 4.754 4.640 0.002 0.000 0.239 203 D C 1.385 177.726 176.300 0.068 0.000 0.991 203 D CA -0.944 53.089 54.000 0.055 0.000 0.960 203 D CB 0.639 41.458 40.800 0.033 0.000 1.284 203 D HN 0.128 nan 8.370 nan 0.000 0.512 204 L N 1.156 122.412 121.223 0.055 0.000 2.030 204 L HA -0.320 4.021 4.340 0.002 0.000 0.222 204 L C 1.051 177.936 176.870 0.025 0.000 1.082 204 L CA 2.362 57.233 54.840 0.052 0.000 0.785 204 L CB -1.283 40.790 42.059 0.024 0.000 0.895 204 L HN 0.516 nan 8.230 nan 0.000 0.439 205 N N 0.796 119.494 118.700 -0.003 0.000 2.060 205 N HA -0.211 4.530 4.740 0.002 0.000 0.195 205 N C 1.472 176.980 175.510 -0.002 0.000 1.028 205 N CA 1.851 54.883 53.050 -0.031 0.000 0.861 205 N CB -0.559 37.915 38.487 -0.022 0.000 1.029 205 N HN 0.502 nan 8.380 nan 0.000 0.428 206 N N 0.563 119.289 118.700 0.043 0.000 2.007 206 N HA -0.145 4.596 4.740 0.002 0.000 0.197 206 N C 1.934 177.534 175.510 0.149 0.000 1.050 206 N CA 1.478 54.568 53.050 0.066 0.000 0.856 206 N CB -1.121 37.424 38.487 0.097 0.000 1.050 206 N HN 0.295 nan 8.380 nan 0.000 0.423 207 C N 1.208 120.698 119.300 0.316 0.000 2.336 207 C HA -0.168 4.293 4.460 0.002 0.000 0.275 207 C C 2.448 177.711 174.990 0.454 0.000 1.175 207 C CA 0.634 60.028 59.018 0.627 0.000 1.771 207 C CB -1.074 26.969 27.740 0.504 0.000 2.030 207 C HN 0.516 nan 8.230 nan 0.000 0.442 208 K N 0.217 120.636 120.400 0.031 0.000 2.173 208 K HA -0.221 4.100 4.320 0.002 0.000 0.207 208 K C 1.808 178.379 176.600 -0.049 0.000 1.046 208 K CA 1.901 57.956 56.287 -0.385 0.000 0.929 208 K CB -0.229 31.886 32.500 -0.642 0.000 0.720 208 K HN 0.658 nan 8.250 nan 0.000 0.453 209 E N -0.559 119.651 120.200 0.017 0.000 2.307 209 E HA 0.014 4.365 4.350 0.002 0.000 0.195 209 E C 0.762 177.363 176.600 0.001 0.000 0.975 209 E CA 0.242 56.649 56.400 0.011 0.000 0.878 209 E CB 0.422 30.108 29.700 -0.024 0.000 0.845 209 E HN 0.274 nan 8.360 nan 0.000 0.488 210 N N -0.339 118.314 118.700 -0.080 0.000 2.187 210 N HA 0.068 4.809 4.740 0.002 0.000 0.212 210 N C -0.935 174.335 175.510 -0.401 0.000 1.152 210 N CA 0.211 53.076 53.050 -0.308 0.000 0.872 210 N CB 0.653 38.823 38.487 -0.529 0.000 1.025 210 N HN 0.037 nan 8.380 nan 0.000 0.514 211 Y N 1.199 121.633 120.300 0.225 0.000 2.477 211 Y HA 0.320 4.871 4.550 0.002 0.000 0.347 211 Y C 0.105 176.236 175.900 0.386 0.000 0.981 211 Y CA -1.376 56.851 58.100 0.211 0.000 1.033 211 Y CB 1.486 40.032 38.460 0.144 0.000 1.245 211 Y HN -0.084 nan 8.280 nan 0.000 0.455 212 E N 2.385 122.834 120.200 0.415 0.000 2.222 212 E HA 0.635 4.986 4.350 0.002 0.000 0.272 212 E C -1.572 175.377 176.600 0.582 0.000 0.982 212 E CA -0.702 56.024 56.400 0.542 0.000 0.842 212 E CB 2.078 31.971 29.700 0.322 0.000 1.144 212 E HN 0.414 nan 8.360 nan 0.000 0.397 213 F N 0.403 120.647 119.950 0.490 0.000 2.577 213 F HA 0.352 4.880 4.527 0.002 0.000 0.318 213 F C -0.497 175.253 175.800 -0.082 0.000 1.065 213 F CA -1.442 56.708 58.000 0.249 0.000 0.929 213 F CB 1.609 40.602 39.000 -0.012 0.000 1.237 213 F HN 0.233 nan 8.300 nan 0.000 0.468 214 L N 4.135 125.184 121.223 -0.290 0.000 2.289 214 L HA 0.567 4.908 4.340 0.002 0.000 0.285 214 L C -0.692 175.961 176.870 -0.362 0.000 1.049 214 L CA -0.682 53.769 54.840 -0.649 0.000 0.804 214 L CB 0.999 42.540 42.059 -0.864 0.000 1.195 214 L HN 0.259 nan 8.230 nan 0.000 0.428 215 I N 3.674 124.082 120.570 -0.271 0.000 2.500 215 I HA 0.326 4.497 4.170 0.002 0.000 0.286 215 I C -0.297 175.777 176.117 -0.072 0.000 1.063 215 I CA -0.828 60.407 61.300 -0.109 0.000 1.062 215 I CB 1.320 39.393 38.000 0.122 0.000 1.223 215 I HN 0.566 nan 8.210 nan 0.000 0.435 216 K N 5.305 125.606 120.400 -0.165 0.000 2.312 216 K HA 0.206 4.527 4.320 0.002 0.000 0.287 216 K C -1.061 175.588 176.600 0.080 0.000 1.062 216 K CA -0.303 55.879 56.287 -0.175 0.000 0.934 216 K CB 0.733 32.977 32.500 -0.426 0.000 1.027 216 K HN 0.410 nan 8.250 nan 0.000 0.478 217 W N 2.076 123.266 121.300 -0.184 0.000 2.184 217 W HA 0.078 4.739 4.660 0.001 0.000 0.338 217 W C 0.952 177.374 176.519 -0.162 0.000 1.257 217 W CA -0.400 56.816 57.345 -0.215 0.000 1.243 217 W CB 0.730 30.043 29.460 -0.245 0.000 1.122 217 W HN 0.459 nan 8.180 nan 0.000 0.585 218 T N 2.821 117.355 114.554 -0.033 0.000 2.907 218 T HA 0.151 4.502 4.350 0.002 0.000 0.298 218 T C -0.281 174.491 174.700 0.121 0.000 1.017 218 T CA 0.081 62.205 62.100 0.041 0.000 1.118 218 T CB 0.065 68.946 68.868 0.023 0.000 0.948 218 T HN 0.472 nan 8.240 nan 0.000 0.531 219 D N 2.272 122.804 120.400 0.221 0.000 3.026 219 D HA -0.092 4.549 4.640 0.002 0.000 0.248 219 D C 0.016 176.457 176.300 0.235 0.000 1.100 219 D CA 1.257 55.398 54.000 0.234 0.000 0.855 219 D CB -0.979 39.980 40.800 0.265 0.000 1.011 219 D HN 0.847 nan 8.370 nan 0.000 0.423 220 E N -1.182 119.146 120.200 0.213 0.000 1.778 220 E HA 0.643 4.994 4.350 0.002 0.000 0.210 220 E C -1.195 175.549 176.600 0.239 0.000 1.786 220 E CA -0.001 56.535 56.400 0.227 0.000 1.085 220 E CB 0.702 30.529 29.700 0.212 0.000 1.513 220 E HN 0.188 nan 8.360 nan 0.000 0.627 221 S N -1.796 114.044 115.700 0.233 0.000 2.703 221 S HA 0.363 4.834 4.470 0.002 0.000 0.273 221 S C -0.533 174.054 174.600 -0.021 0.000 1.178 221 S CA -0.320 57.939 58.200 0.098 0.000 0.838 221 S CB 0.545 63.801 63.200 0.093 0.000 1.178 221 S HN 0.558 nan 8.310 nan 0.000 0.494 222 H N 1.065 119.950 119.070 -0.308 0.000 2.556 222 H HA 0.287 4.844 4.556 0.001 0.000 0.268 222 H C 1.432 176.696 175.328 -0.106 0.000 0.996 222 H CA 1.236 57.185 56.048 -0.164 0.000 1.157 222 H CB -0.075 29.605 29.762 -0.138 0.000 1.355 222 H HN 0.428 nan 8.280 nan 0.000 0.597 223 L N -1.771 119.347 121.223 -0.174 0.000 2.375 223 L HA 0.061 4.402 4.340 0.002 0.000 0.215 223 L C 0.676 177.372 176.870 -0.289 0.000 1.108 223 L CA 1.041 55.740 54.840 -0.234 0.000 0.830 223 L CB -0.626 41.262 42.059 -0.285 0.000 0.959 223 L HN 0.331 nan 8.230 nan 0.000 0.457 224 H N 1.563 120.573 119.070 -0.100 0.000 2.592 224 H HA 0.244 4.801 4.556 0.002 0.000 0.291 224 H C -0.183 174.973 175.328 -0.287 0.000 1.052 224 H CA -0.427 55.514 56.048 -0.178 0.000 1.175 224 H CB -0.253 29.423 29.762 -0.143 0.000 1.378 224 H HN 0.354 nan 8.280 nan 0.000 0.576 225 N N 1.760 120.351 118.700 -0.182 0.000 2.520 225 N HA 0.058 4.799 4.740 0.002 0.000 0.273 225 N C 0.512 175.850 175.510 -0.286 0.000 1.155 225 N CA 0.169 53.063 53.050 -0.259 0.000 0.967 225 N CB 1.099 39.415 38.487 -0.284 0.000 1.092 225 N HN 0.222 nan 8.380 nan 0.000 0.457 226 T N -2.522 111.859 114.554 -0.289 0.000 2.907 226 T HA 0.487 4.838 4.350 0.002 0.000 0.292 226 T C -0.730 173.857 174.700 -0.187 0.000 1.043 226 T CA -0.832 61.148 62.100 -0.201 0.000 1.003 226 T CB 0.976 69.751 68.868 -0.155 0.000 1.084 226 T HN 0.399 nan 8.240 nan 0.000 0.483 227 W N 1.943 123.260 121.300 0.028 0.000 2.316 227 W HA 0.428 5.089 4.660 0.002 0.000 0.339 227 W C 0.330 176.911 176.519 0.102 0.000 1.002 227 W CA -0.529 56.855 57.345 0.065 0.000 1.465 227 W CB 0.643 30.129 29.460 0.044 0.000 1.300 227 W HN 0.537 nan 8.180 nan 0.000 0.378 228 E N 1.757 122.185 120.200 0.381 0.000 2.281 228 E HA 0.583 4.934 4.350 0.002 0.000 0.262 228 E C -0.303 176.488 176.600 0.319 0.000 0.933 228 E CA -0.684 55.886 56.400 0.285 0.000 0.809 228 E CB 2.123 31.950 29.700 0.212 0.000 1.242 228 E HN 0.073 nan 8.360 nan 0.000 0.418 229 T N 0.119 114.817 114.554 0.240 0.000 2.926 229 T HA 0.244 4.595 4.350 0.002 0.000 0.289 229 T C 0.771 175.558 174.700 0.144 0.000 1.054 229 T CA -0.560 61.702 62.100 0.270 0.000 1.015 229 T CB 0.483 69.524 68.868 0.288 0.000 1.167 229 T HN 0.343 nan 8.240 nan 0.000 0.526 230 Y N 1.741 122.060 120.300 0.031 0.000 2.069 230 Y HA -0.203 4.348 4.550 0.002 0.000 0.278 230 Y C 2.717 178.620 175.900 0.004 0.000 1.175 230 Y CA 2.019 60.105 58.100 -0.024 0.000 1.134 230 Y CB -0.104 38.339 38.460 -0.028 0.000 0.965 230 Y HN 0.665 nan 8.280 nan 0.000 0.498 231 E N -0.136 120.179 120.200 0.191 0.000 2.481 231 E HA -0.057 4.294 4.350 0.002 0.000 0.195 231 E C 1.610 178.267 176.600 0.094 0.000 1.047 231 E CA 1.070 57.540 56.400 0.117 0.000 0.867 231 E CB -0.739 29.021 29.700 0.100 0.000 0.858 231 E HN 0.453 nan 8.360 nan 0.000 0.513 232 S N 0.270 116.034 115.700 0.107 0.000 2.548 232 S HA 0.063 4.534 4.470 0.002 0.000 0.215 232 S C 1.796 176.457 174.600 0.103 0.000 0.976 232 S CA 0.299 58.564 58.200 0.108 0.000 0.908 232 S CB -0.486 62.795 63.200 0.134 0.000 0.781 232 S HN 0.379 nan 8.310 nan 0.000 0.519 233 I N -1.656 118.950 120.570 0.060 0.000 3.812 233 I HA 0.615 4.786 4.170 0.002 0.000 0.292 233 I C 1.421 177.529 176.117 -0.015 0.000 1.206 233 I CA 0.643 61.958 61.300 0.024 0.000 1.370 233 I CB -0.285 37.679 38.000 -0.060 0.000 1.328 233 I HN 0.350 nan 8.210 nan 0.000 0.453 234 G N 1.411 110.201 108.800 -0.016 0.000 2.536 234 G HA2 -0.227 3.734 3.960 0.002 0.000 0.280 234 G HA3 -0.227 3.734 3.960 0.002 0.000 0.280 234 G C -0.525 174.348 174.900 -0.045 0.000 1.152 234 G CA 0.311 45.405 45.100 -0.010 0.000 0.970 234 G HN 0.586 nan 8.290 nan 0.000 0.549 235 Q N 0.494 120.271 119.800 -0.038 0.000 2.337 235 Q HA 0.657 4.998 4.340 0.002 0.000 0.255 235 Q C -0.257 175.695 176.000 -0.081 0.000 0.997 235 Q CA -0.057 55.717 55.803 -0.049 0.000 0.925 235 Q CB 1.207 29.929 28.738 -0.026 0.000 1.212 235 Q HN 0.869 nan 8.270 nan 0.000 0.436 236 V N 2.830 122.676 119.914 -0.114 0.000 2.932 236 V HA 0.361 4.482 4.120 0.002 0.000 0.307 236 V C -0.788 175.217 176.094 -0.148 0.000 1.147 236 V CA -0.932 61.270 62.300 -0.164 0.000 0.951 236 V CB 2.767 34.424 31.823 -0.277 0.000 1.031 236 V HN 0.634 nan 8.190 nan 0.000 0.426 237 R N 3.226 123.646 120.500 -0.134 0.000 2.449 237 R HA 0.499 4.840 4.340 0.002 0.000 0.296 237 R C 0.955 177.186 176.300 -0.115 0.000 1.047 237 R CA 1.116 57.160 56.100 -0.094 0.000 1.018 237 R CB 0.271 30.542 30.300 -0.049 0.000 0.962 237 R HN 1.581 nan 8.270 nan 0.000 0.428 238 G N 4.143 112.889 108.800 -0.089 0.000 2.198 238 G HA2 -0.302 3.659 3.960 0.002 0.000 0.257 238 G HA3 -0.302 3.659 3.960 0.002 0.000 0.257 238 G C 0.680 175.515 174.900 -0.109 0.000 1.042 238 G CA 0.378 45.424 45.100 -0.090 0.000 0.791 238 G HN 0.652 nan 8.290 nan 0.000 0.502 239 L N -0.005 121.150 121.223 -0.114 0.000 2.081 239 L HA -0.166 4.175 4.340 0.002 0.000 0.212 239 L C 3.156 179.962 176.870 -0.107 0.000 1.080 239 L CA 2.625 57.383 54.840 -0.136 0.000 0.754 239 L CB -0.241 41.749 42.059 -0.114 0.000 0.893 239 L HN 0.629 nan 8.230 nan 0.000 0.433 240 K N -0.168 120.194 120.400 -0.062 0.000 2.074 240 K HA -0.264 4.057 4.320 0.002 0.000 0.209 240 K C 1.935 178.518 176.600 -0.029 0.000 1.048 240 K CA 1.737 58.007 56.287 -0.029 0.000 0.926 240 K CB -0.656 31.835 32.500 -0.016 0.000 0.713 240 K HN 0.351 nan 8.250 nan 0.000 0.444 241 R N 1.017 121.489 120.500 -0.047 0.000 2.249 241 R HA -0.082 4.259 4.340 0.002 0.000 0.230 241 R C 2.440 178.713 176.300 -0.044 0.000 1.121 241 R CA 1.088 57.167 56.100 -0.036 0.000 0.997 241 R CB -0.555 29.715 30.300 -0.050 0.000 0.867 241 R HN 0.327 nan 8.270 nan 0.000 0.465 242 L N 0.658 121.821 121.223 -0.099 0.000 1.993 242 L HA -0.097 4.244 4.340 0.002 0.000 0.206 242 L C 1.418 178.282 176.870 -0.009 0.000 1.074 242 L CA 1.900 56.656 54.840 -0.139 0.000 0.746 242 L CB -0.514 41.356 42.059 -0.314 0.000 0.896 242 L HN -0.088 nan 8.230 nan 0.000 0.435 243 D N 0.558 120.965 120.400 0.012 0.000 2.204 243 D HA -0.264 4.377 4.640 0.002 0.000 0.189 243 D C 1.948 178.319 176.300 0.117 0.000 1.006 243 D CA 1.911 55.975 54.000 0.106 0.000 0.855 243 D CB -0.596 40.260 40.800 0.093 0.000 0.946 243 D HN 0.434 nan 8.370 nan 0.000 0.448 244 N N -0.514 118.237 118.700 0.084 0.000 2.242 244 N HA -0.221 4.520 4.740 0.002 0.000 0.191 244 N C 1.560 177.151 175.510 0.135 0.000 1.005 244 N CA 0.715 53.820 53.050 0.091 0.000 0.877 244 N CB -0.488 38.039 38.487 0.067 0.000 0.983 244 N HN 0.453 nan 8.380 nan 0.000 0.439 245 Y N 0.704 121.005 120.300 0.003 0.000 2.184 245 Y HA -0.187 4.364 4.550 0.002 0.000 0.290 245 Y C 2.239 178.187 175.900 0.079 0.000 1.129 245 Y CA 1.341 59.420 58.100 -0.035 0.000 1.144 245 Y CB -0.456 37.904 38.460 -0.167 0.000 0.995 245 Y HN 0.118 nan 8.280 nan 0.000 0.513 246 C N 1.200 120.610 119.300 0.182 0.000 2.429 246 C HA -0.155 4.306 4.460 0.002 0.000 0.277 246 C C 2.427 177.433 174.990 0.027 0.000 1.262 246 C CA 1.147 60.230 59.018 0.107 0.000 1.733 246 C CB -1.187 26.709 27.740 0.260 0.000 2.010 246 C HN 0.486 nan 8.230 nan 0.000 0.483 247 K N 0.200 120.638 120.400 0.063 0.000 2.362 247 K HA -0.225 4.096 4.320 0.002 0.000 0.202 247 K C 2.167 178.779 176.600 0.021 0.000 1.045 247 K CA 1.313 57.627 56.287 0.045 0.000 0.936 247 K CB -0.140 32.393 32.500 0.055 0.000 0.747 247 K HN 0.658 nan 8.250 nan 0.000 0.467 248 Q N -1.603 118.211 119.800 0.024 0.000 2.527 248 Q HA 0.095 4.436 4.340 0.002 0.000 0.252 248 Q C 1.329 177.249 176.000 -0.132 0.000 0.827 248 Q CA 0.035 55.835 55.803 -0.004 0.000 0.979 248 Q CB 0.478 29.288 28.738 0.120 0.000 1.248 248 Q HN 0.200 nan 8.270 nan 0.000 0.578 249 F N -0.083 119.614 119.950 -0.422 0.000 2.656 249 F HA 0.194 4.722 4.527 0.002 0.000 0.291 249 F C 1.771 177.338 175.800 -0.389 0.000 1.122 249 F CA 0.344 58.044 58.000 -0.501 0.000 1.427 249 F CB 0.580 38.966 39.000 -1.023 0.000 1.125 249 F HN 0.004 nan 8.300 nan 0.000 0.583 250 I N -1.070 119.389 120.570 -0.186 0.000 3.098 250 I HA -0.047 4.124 4.170 0.002 0.000 0.241 250 I C 1.855 177.959 176.117 -0.020 0.000 1.081 250 I CA 0.303 61.551 61.300 -0.086 0.000 1.487 250 I CB -0.333 37.613 38.000 -0.090 0.000 1.366 250 I HN -0.126 nan 8.210 nan 0.000 0.463 251 I N 1.003 121.569 120.570 -0.006 0.000 2.055 251 I HA -0.290 3.881 4.170 0.002 0.000 0.228 251 I C 2.699 178.810 176.117 -0.009 0.000 1.050 251 I CA 1.672 62.982 61.300 0.016 0.000 1.326 251 I CB -0.362 37.656 38.000 0.031 0.000 1.077 251 I HN 0.336 nan 8.210 nan 0.000 0.392 252 E N 0.818 121.003 120.200 -0.024 0.000 2.338 252 E HA -0.284 4.067 4.350 0.002 0.000 0.197 252 E C 1.546 178.110 176.600 -0.059 0.000 1.007 252 E CA 1.411 57.791 56.400 -0.033 0.000 0.849 252 E CB -0.364 29.319 29.700 -0.028 0.000 0.774 252 E HN 0.579 nan 8.360 nan 0.000 0.506 253 D N 0.529 120.875 120.400 -0.090 0.000 2.077 253 D HA -0.232 4.409 4.640 0.002 0.000 0.196 253 D C 1.907 178.174 176.300 -0.055 0.000 0.986 253 D CA 1.470 55.406 54.000 -0.105 0.000 0.829 253 D CB -0.103 40.600 40.800 -0.161 0.000 0.983 253 D HN 0.119 nan 8.370 nan 0.000 0.453 254 Q N 0.781 120.563 119.800 -0.030 0.000 2.197 254 Q HA -0.205 4.136 4.340 0.002 0.000 0.207 254 Q C 2.029 178.026 176.000 -0.005 0.000 0.984 254 Q CA 1.600 57.401 55.803 -0.003 0.000 0.869 254 Q CB -0.640 28.113 28.738 0.024 0.000 0.906 254 Q HN 0.397 nan 8.270 nan 0.000 0.426 255 Q N -0.251 119.544 119.800 -0.008 0.000 1.916 255 Q HA -0.113 4.228 4.340 0.002 0.000 0.203 255 Q C 2.027 178.019 176.000 -0.013 0.000 0.983 255 Q CA 1.978 57.777 55.803 -0.007 0.000 0.846 255 Q CB -0.780 27.955 28.738 -0.005 0.000 0.909 255 Q HN 0.302 nan 8.270 nan 0.000 0.427 256 V N 2.187 122.088 119.914 -0.021 0.000 2.352 256 V HA -0.374 3.747 4.120 0.002 0.000 0.263 256 V C 2.570 178.651 176.094 -0.021 0.000 1.103 256 V CA 2.596 64.882 62.300 -0.023 0.000 1.099 256 V CB -0.646 31.153 31.823 -0.039 0.000 0.685 256 V HN 0.426 nan 8.190 nan 0.000 0.455 257 R N -0.888 119.598 120.500 -0.023 0.000 2.200 257 R HA -0.106 4.235 4.340 0.002 0.000 0.234 257 R C 2.082 178.369 176.300 -0.021 0.000 1.127 257 R CA 1.171 57.258 56.100 -0.022 0.000 0.989 257 R CB -0.310 29.978 30.300 -0.019 0.000 0.869 257 R HN 0.480 nan 8.270 nan 0.000 0.459 258 L N 0.494 121.706 121.223 -0.019 0.000 2.049 258 L HA -0.042 4.299 4.340 0.002 0.000 0.203 258 L C 0.712 177.558 176.870 -0.040 0.000 1.074 258 L CA 0.201 55.026 54.840 -0.026 0.000 0.749 258 L CB -0.814 41.233 42.059 -0.020 0.000 0.907 258 L HN 0.170 nan 8.230 nan 0.000 0.439 259 D N 1.477 121.861 120.400 -0.027 0.000 5.698 259 D HA -0.151 4.490 4.640 0.002 0.000 0.147 259 D C -1.616 174.630 176.300 -0.089 0.000 1.063 259 D CA -0.113 53.871 54.000 -0.026 0.000 0.693 259 D CB 0.684 41.502 40.800 0.030 0.000 1.316 259 D HN 0.122 nan 8.370 nan 0.000 0.740 260 P HA -0.050 nan 4.420 nan 0.000 0.249 260 P C 0.653 177.756 177.300 -0.329 0.000 1.229 260 P CA 0.594 63.513 63.100 -0.302 0.000 0.788 260 P CB -0.080 31.357 31.700 -0.438 0.000 1.072 261 Y N -0.616 119.667 120.300 -0.030 0.000 2.523 261 Y HA 0.070 4.621 4.550 0.002 0.000 0.279 261 Y C 1.358 177.230 175.900 -0.046 0.000 1.139 261 Y CA -0.362 57.715 58.100 -0.038 0.000 1.296 261 Y CB -0.007 38.423 38.460 -0.049 0.000 1.045 261 Y HN -0.326 nan 8.280 nan 0.000 0.538 262 V N 2.473 122.428 119.914 0.067 0.000 2.425 262 V HA -0.040 4.081 4.120 0.002 0.000 0.276 262 V C 0.517 176.613 176.094 0.003 0.000 1.017 262 V CA -0.054 62.258 62.300 0.021 0.000 1.062 262 V CB -0.102 31.720 31.823 -0.001 0.000 0.997 262 V HN 0.238 nan 8.190 nan 0.000 0.476 263 T N 4.600 119.156 114.554 0.004 0.000 2.802 263 T HA 0.300 4.651 4.350 0.002 0.000 0.305 263 T C 1.495 176.188 174.700 -0.013 0.000 1.053 263 T CA 0.109 62.207 62.100 -0.004 0.000 1.058 263 T CB 1.204 70.070 68.868 -0.004 0.000 0.988 263 T HN 0.789 nan 8.240 nan 0.000 0.539 264 A N 1.236 124.047 122.820 -0.016 0.000 1.845 264 A HA -0.123 4.198 4.320 0.002 0.000 0.215 264 A C 2.172 179.748 177.584 -0.013 0.000 1.195 264 A CA 1.794 53.821 52.037 -0.018 0.000 0.616 264 A CB -0.965 18.022 19.000 -0.023 0.000 0.832 264 A HN 0.878 nan 8.150 nan 0.000 0.443 265 E N 0.423 120.616 120.200 -0.011 0.000 2.113 265 E HA -0.263 4.088 4.350 0.002 0.000 0.210 265 E C 1.629 178.225 176.600 -0.007 0.000 1.040 265 E CA 1.884 58.281 56.400 -0.005 0.000 0.847 265 E CB -0.432 29.267 29.700 -0.001 0.000 0.755 265 E HN 0.602 nan 8.360 nan 0.000 0.459 266 D N -0.424 119.969 120.400 -0.011 0.000 2.158 266 D HA -0.156 4.485 4.640 0.002 0.000 0.197 266 D C 1.823 178.113 176.300 -0.016 0.000 0.995 266 D CA 0.809 54.800 54.000 -0.016 0.000 0.846 266 D CB -0.136 40.653 40.800 -0.019 0.000 0.941 266 D HN 0.142 nan 8.370 nan 0.000 0.456 267 I N 1.113 121.674 120.570 -0.014 0.000 2.113 267 I HA -0.235 3.936 4.170 0.002 0.000 0.238 267 I C 2.469 178.581 176.117 -0.008 0.000 1.070 267 I CA 1.197 62.489 61.300 -0.014 0.000 1.332 267 I CB -1.366 36.626 38.000 -0.013 0.000 1.044 267 I HN 0.225 nan 8.210 nan 0.000 0.402 268 E N 1.558 121.756 120.200 -0.003 0.000 2.219 268 E HA -0.229 4.122 4.350 0.002 0.000 0.198 268 E C 2.133 178.738 176.600 0.008 0.000 0.998 268 E CA 1.392 57.795 56.400 0.004 0.000 0.818 268 E CB -0.491 29.214 29.700 0.008 0.000 0.741 268 E HN 0.487 nan 8.360 nan 0.000 0.477 269 I N 0.949 121.521 120.570 0.002 0.000 2.163 269 I HA -0.263 3.908 4.170 0.002 0.000 0.240 269 I C 2.681 178.797 176.117 -0.002 0.000 1.081 269 I CA 1.395 62.696 61.300 0.002 0.000 1.353 269 I CB -0.276 37.720 38.000 -0.007 0.000 1.054 269 I HN 0.171 nan 8.210 nan 0.000 0.407 270 M N -0.109 119.483 119.600 -0.013 0.000 2.267 270 M HA -0.228 4.253 4.480 0.002 0.000 0.263 270 M C 1.430 177.725 176.300 -0.009 0.000 1.063 270 M CA 1.465 56.751 55.300 -0.023 0.000 1.090 270 M CB -0.664 31.915 32.600 -0.035 0.000 1.392 270 M HN 0.259 nan 8.290 nan 0.000 0.422 271 D N 0.389 120.791 120.400 0.004 0.000 2.154 271 D HA 0.010 4.651 4.640 0.002 0.000 0.211 271 D C 1.947 178.266 176.300 0.031 0.000 0.977 271 D CA 1.122 55.132 54.000 0.017 0.000 0.869 271 D CB -0.242 40.567 40.800 0.015 0.000 1.022 271 D HN 0.264 nan 8.370 nan 0.000 0.461 272 M N 0.605 120.223 119.600 0.031 0.000 2.331 272 M HA -0.207 4.274 4.480 0.002 0.000 0.260 272 M C 1.768 178.096 176.300 0.047 0.000 1.072 272 M CA 1.076 56.401 55.300 0.041 0.000 1.065 272 M CB -0.047 32.576 32.600 0.038 0.000 1.392 272 M HN -0.064 nan 8.290 nan 0.000 0.427 273 E N 0.611 120.834 120.200 0.038 0.000 2.028 273 E HA -0.105 4.246 4.350 0.002 0.000 0.190 273 E C 1.892 178.536 176.600 0.074 0.000 0.984 273 E CA 1.266 57.693 56.400 0.044 0.000 0.800 273 E CB 0.002 29.711 29.700 0.015 0.000 0.758 273 E HN 0.168 nan 8.360 nan 0.000 0.448 274 R N 1.223 121.765 120.500 0.072 0.000 2.148 274 R HA -0.166 4.175 4.340 0.002 0.000 0.230 274 R C 2.119 178.498 176.300 0.132 0.000 1.120 274 R CA 1.545 57.717 56.100 0.120 0.000 0.902 274 R CB -1.280 29.085 30.300 0.108 0.000 0.839 274 R HN 0.344 nan 8.270 nan 0.000 0.431 275 E N 0.223 120.482 120.200 0.100 0.000 2.241 275 E HA -0.341 4.010 4.350 0.002 0.000 0.244 275 E C 1.942 178.604 176.600 0.103 0.000 1.070 275 E CA 1.810 58.265 56.400 0.091 0.000 0.998 275 E CB -0.498 29.244 29.700 0.070 0.000 0.879 275 E HN 0.295 nan 8.360 nan 0.000 0.501 276 R N 0.901 121.456 120.500 0.093 0.000 2.133 276 R HA -0.245 4.096 4.340 0.002 0.000 0.245 276 R C 2.528 178.900 176.300 0.120 0.000 1.137 276 R CA 2.255 58.408 56.100 0.089 0.000 0.947 276 R CB -0.381 29.966 30.300 0.078 0.000 0.865 276 R HN 0.159 nan 8.270 nan 0.000 0.437 277 R N 0.407 121.013 120.500 0.177 0.000 2.097 277 R HA -0.157 4.184 4.340 0.002 0.000 0.236 277 R C 2.451 178.988 176.300 0.394 0.000 1.135 277 R CA 2.223 58.499 56.100 0.293 0.000 0.934 277 R CB -0.451 30.063 30.300 0.357 0.000 0.846 277 R HN 0.329 nan 8.270 nan 0.000 0.431 278 L N 0.332 121.735 121.223 0.300 0.000 2.275 278 L HA -0.091 4.250 4.340 0.002 0.000 0.215 278 L C 1.651 178.627 176.870 0.177 0.000 1.119 278 L CA 0.692 55.690 54.840 0.263 0.000 0.790 278 L CB -0.381 41.772 42.059 0.156 0.000 0.919 278 L HN 0.175 nan 8.230 nan 0.000 0.443 279 D N 0.302 120.768 120.400 0.110 0.000 2.277 279 D HA -0.116 4.525 4.640 0.002 0.000 0.208 279 D C 2.036 178.288 176.300 -0.080 0.000 0.962 279 D CA 0.783 54.800 54.000 0.028 0.000 0.865 279 D CB 0.229 41.051 40.800 0.036 0.000 0.939 279 D HN 0.423 nan 8.370 nan 0.000 0.510 280 E N -0.429 119.711 120.200 -0.100 0.000 2.072 280 E HA -0.088 4.263 4.350 0.002 0.000 0.190 280 E C 1.754 177.791 176.600 -0.939 0.000 0.982 280 E CA 0.498 56.691 56.400 -0.346 0.000 0.803 280 E CB -0.057 29.494 29.700 -0.247 0.000 0.755 280 E HN 0.212 nan 8.360 nan 0.000 0.453 281 F N 1.430 120.981 119.950 -0.664 0.000 2.216 281 F HA -0.156 4.372 4.527 0.002 0.000 0.300 281 F C 2.229 177.493 175.800 -0.892 0.000 1.085 281 F CA 0.801 58.278 58.000 -0.872 0.000 1.326 281 F CB 0.041 38.946 39.000 -0.157 0.000 1.027 281 F HN -0.056 nan 8.300 nan 0.000 0.497 282 E N 0.269 120.250 120.200 -0.365 0.000 2.401 282 E HA -0.138 4.213 4.350 0.002 0.000 0.199 282 E C 1.769 178.064 176.600 -0.509 0.000 1.023 282 E CA 0.649 56.911 56.400 -0.231 0.000 0.859 282 E CB -0.348 29.358 29.700 0.009 0.000 0.780 282 E HN 0.497 nan 8.360 nan 0.000 0.523 283 E N -0.671 119.108 120.200 -0.702 0.000 2.447 283 E HA -0.003 4.348 4.350 0.002 0.000 0.195 283 E C 0.893 177.318 176.600 -0.291 0.000 1.028 283 E CA 0.100 56.241 56.400 -0.431 0.000 0.876 283 E CB 0.044 29.548 29.700 -0.326 0.000 0.885 283 E HN 0.262 nan 8.360 nan 0.000 0.500 284 F N 0.550 120.145 119.950 -0.592 0.000 2.789 284 F HA 0.041 4.569 4.527 0.002 0.000 0.300 284 F C 1.848 177.212 175.800 -0.727 0.000 1.132 284 F CA 0.387 58.003 58.000 -0.640 0.000 1.404 284 F CB -0.427 37.967 39.000 -1.011 0.000 1.114 284 F HN 0.175 nan 8.300 nan 0.000 0.584 285 H N -2.275 116.731 119.070 -0.108 0.000 2.592 285 H HA 0.425 4.982 4.556 0.002 0.000 0.279 285 H C -0.197 175.250 175.328 0.198 0.000 1.089 285 H CA 0.028 55.991 56.048 -0.142 0.000 1.150 285 H CB -0.291 29.421 29.762 -0.083 0.000 1.575 285 H HN -0.044 nan 8.280 nan 0.000 0.547 286 V N 4.938 125.030 119.914 0.297 0.000 2.350 286 V HA 0.235 4.356 4.120 0.002 0.000 0.276 286 V C -2.202 174.158 176.094 0.445 0.000 1.028 286 V CA -1.666 60.833 62.300 0.332 0.000 0.860 286 V CB 1.712 33.645 31.823 0.183 0.000 0.990 286 V HN 0.241 nan 8.190 nan 0.000 0.453 287 P HA 0.384 nan 4.420 nan 0.000 0.286 287 P C -0.098 177.223 177.300 0.035 0.000 1.261 287 P CA -0.491 62.656 63.100 0.079 0.000 0.821 287 P CB 1.198 32.851 31.700 -0.078 0.000 1.013 288 E N 1.229 121.409 120.200 -0.034 0.000 2.467 288 E HA 0.212 4.563 4.350 0.002 0.000 0.213 288 E C 0.420 177.027 176.600 0.012 0.000 0.823 288 E CA -0.314 56.096 56.400 0.017 0.000 1.233 288 E CB 0.478 30.212 29.700 0.056 0.000 1.233 288 E HN 0.217 nan 8.360 nan 0.000 0.585 289 R N 0.417 120.877 120.500 -0.066 0.000 2.922 289 R HA 0.608 4.949 4.340 0.002 0.000 0.256 289 R C -0.860 175.393 176.300 -0.079 0.000 1.138 289 R CA -0.941 55.157 56.100 -0.003 0.000 0.995 289 R CB 1.838 32.145 30.300 0.010 0.000 1.226 289 R HN 0.013 nan 8.270 nan 0.000 0.481 290 I N 1.042 121.650 120.570 0.064 0.000 2.686 290 I HA 0.272 4.443 4.170 0.002 0.000 0.295 290 I C 0.110 176.467 176.117 0.399 0.000 1.114 290 I CA -0.473 60.803 61.300 -0.040 0.000 1.038 290 I CB 2.049 39.761 38.000 -0.481 0.000 1.238 290 I HN 0.598 nan 8.210 nan 0.000 0.420 291 I N 1.544 122.283 120.570 0.281 0.000 4.244 291 I HA 0.206 4.377 4.170 0.002 0.000 0.318 291 I C -0.099 176.316 176.117 0.497 0.000 1.282 291 I CA 0.750 62.352 61.300 0.504 0.000 1.276 291 I CB 0.411 38.604 38.000 0.323 0.000 1.183 291 I HN 0.491 nan 8.210 nan 0.000 0.431 292 D N 0.070 120.615 120.400 0.241 0.000 2.591 292 D HA 0.190 4.831 4.640 0.002 0.000 0.222 292 D C -0.501 175.734 176.300 -0.108 0.000 1.360 292 D CA -0.247 53.852 54.000 0.164 0.000 0.967 292 D CB 1.222 42.049 40.800 0.045 0.000 1.456 292 D HN -0.018 nan 8.370 nan 0.000 0.588 293 S N 3.207 118.951 115.700 0.074 0.000 2.503 293 S HA 0.381 4.852 4.470 0.002 0.000 0.317 293 S C 0.055 174.626 174.600 -0.048 0.000 1.162 293 S CA -0.394 57.806 58.200 -0.000 0.000 1.124 293 S CB 0.741 64.053 63.200 0.188 0.000 1.207 293 S HN 0.364 nan 8.310 nan 0.000 0.538 294 Q N 2.360 122.008 119.800 -0.253 0.000 2.414 294 Q HA 0.298 4.639 4.340 0.002 0.000 0.256 294 Q C -0.511 175.415 176.000 -0.124 0.000 0.974 294 Q CA -0.260 55.451 55.803 -0.154 0.000 0.723 294 Q CB 1.544 30.247 28.738 -0.058 0.000 1.281 294 Q HN 0.853 nan 8.270 nan 0.000 0.470 295 R N 1.831 122.322 120.500 -0.015 0.000 2.449 295 R HA 0.575 4.916 4.340 0.002 0.000 0.296 295 R C -0.923 175.459 176.300 0.138 0.000 1.047 295 R CA 0.196 56.307 56.100 0.018 0.000 1.018 295 R CB 0.497 30.794 30.300 -0.004 0.000 0.962 295 R HN 0.541 nan 8.270 nan 0.000 0.428 296 A N 3.980 126.907 122.820 0.179 0.000 2.292 296 A HA 0.293 4.614 4.320 0.002 0.000 0.319 296 A C -0.250 177.391 177.584 0.094 0.000 1.206 296 A CA -0.564 51.593 52.037 0.201 0.000 0.835 296 A CB 1.529 20.696 19.000 0.279 0.000 1.164 296 A HN 0.786 nan 8.150 nan 0.000 0.505 297 S N 1.099 116.838 115.700 0.066 0.000 2.562 297 S HA 0.466 4.937 4.470 0.002 0.000 0.281 297 S C -0.008 174.606 174.600 0.024 0.000 1.333 297 S CA 0.018 58.239 58.200 0.035 0.000 1.052 297 S CB -0.282 62.933 63.200 0.024 0.000 0.884 297 S HN 0.494 nan 8.310 nan 0.000 0.506 298 L N 2.547 123.779 121.223 0.015 0.000 2.271 298 L HA 0.500 4.841 4.340 0.002 0.000 0.265 298 L C 0.904 177.774 176.870 -0.001 0.000 1.013 298 L CA -0.884 53.960 54.840 0.007 0.000 0.820 298 L CB 0.732 42.796 42.059 0.008 0.000 1.352 298 L HN 0.564 nan 8.230 nan 0.000 0.443 299 E N 0.118 120.314 120.200 -0.007 0.000 2.441 299 E HA -0.043 4.308 4.350 0.002 0.000 0.210 299 E C -0.723 175.872 176.600 -0.008 0.000 1.306 299 E CA 0.393 56.787 56.400 -0.010 0.000 1.307 299 E CB -0.402 29.289 29.700 -0.016 0.000 1.297 299 E HN 0.619 nan 8.360 nan 0.000 0.440 300 D N -0.717 119.681 120.400 -0.004 0.000 2.272 300 D HA 0.135 4.776 4.640 0.002 0.000 0.308 300 D C 1.251 177.550 176.300 -0.001 0.000 1.104 300 D CA 0.687 54.685 54.000 -0.003 0.000 0.939 300 D CB 0.685 41.484 40.800 -0.002 0.000 1.733 300 D HN 0.402 nan 8.370 nan 0.000 0.517 301 G N 0.978 109.778 108.800 0.000 0.000 2.421 301 G HA2 -0.191 3.770 3.960 0.002 0.000 0.188 301 G HA3 -0.191 3.770 3.960 0.002 0.000 0.188 301 G C 0.471 175.373 174.900 0.004 0.000 1.001 301 G CA 0.257 45.358 45.100 0.002 0.000 0.693 301 G HN 0.336 nan 8.290 nan 0.000 0.479 302 T N 1.208 115.764 114.554 0.003 0.000 2.882 302 T HA 0.598 4.949 4.350 0.002 0.000 0.287 302 T C 0.281 174.985 174.700 0.007 0.000 1.014 302 T CA 0.962 63.064 62.100 0.004 0.000 1.049 302 T CB 1.005 69.874 68.868 0.002 0.000 1.001 302 T HN 1.504 nan 8.240 nan 0.000 0.525 303 S N 2.982 118.686 115.700 0.007 0.000 2.572 303 S HA 0.522 4.993 4.470 0.002 0.000 0.274 303 S C -1.166 173.435 174.600 0.002 0.000 1.150 303 S CA -0.968 57.239 58.200 0.012 0.000 0.944 303 S CB 1.825 65.036 63.200 0.019 0.000 1.071 303 S HN 0.752 nan 8.310 nan 0.000 0.479 304 Q N 1.510 121.309 119.800 -0.000 0.000 2.257 304 Q HA 0.617 4.958 4.340 0.002 0.000 0.262 304 Q C -1.034 174.931 176.000 -0.059 0.000 0.997 304 Q CA -1.068 54.717 55.803 -0.029 0.000 0.873 304 Q CB 1.265 29.986 28.738 -0.029 0.000 1.312 304 Q HN 0.762 nan 8.270 nan 0.000 0.450 305 L N 3.411 124.563 121.223 -0.120 0.000 2.477 305 L HA 0.124 4.465 4.340 0.002 0.000 0.272 305 L C -1.031 175.633 176.870 -0.343 0.000 1.157 305 L CA 1.146 55.852 54.840 -0.224 0.000 0.889 305 L CB 0.157 42.055 42.059 -0.268 0.000 1.158 305 L HN 0.656 nan 8.230 nan 0.000 0.473 306 Q N 3.870 123.471 119.800 -0.332 0.000 2.377 306 Q HA 0.382 4.723 4.340 0.002 0.000 0.271 306 Q C -1.092 174.561 176.000 -0.579 0.000 1.077 306 Q CA -0.717 54.877 55.803 -0.350 0.000 0.820 306 Q CB 2.085 30.825 28.738 0.002 0.000 1.347 306 Q HN 0.492 nan 8.270 nan 0.000 0.444 307 Y N 0.476 120.550 120.300 -0.377 0.000 2.956 307 Y HA 0.620 5.170 4.550 0.001 0.000 0.418 307 Y C -0.295 175.153 175.900 -0.753 0.000 1.266 307 Y CA -1.076 56.687 58.100 -0.562 0.000 1.522 307 Y CB 0.496 38.684 38.460 -0.453 0.000 1.524 307 Y HN 0.462 nan 8.280 nan 0.000 0.799 308 L N 0.146 121.177 121.223 -0.319 0.000 2.973 308 L HA 0.464 4.805 4.340 0.002 0.000 0.254 308 L C -2.102 174.618 176.870 -0.250 0.000 0.947 308 L CA -0.337 54.309 54.840 -0.324 0.000 1.064 308 L CB 0.900 42.734 42.059 -0.375 0.000 1.534 308 L HN 0.199 nan 8.230 nan 0.000 0.504 309 V N 3.957 123.690 119.914 -0.302 0.000 2.417 309 V HA 0.579 4.700 4.120 0.002 0.000 0.291 309 V C -0.040 175.572 176.094 -0.803 0.000 1.024 309 V CA -0.785 61.157 62.300 -0.597 0.000 0.861 309 V CB 1.785 33.096 31.823 -0.855 0.000 0.985 309 V HN 0.744 nan 8.190 nan 0.000 0.436 310 K N 4.353 124.352 120.400 -0.669 0.000 2.258 310 K HA 0.301 4.622 4.320 0.002 0.000 0.284 310 K C -1.243 175.028 176.600 -0.548 0.000 1.051 310 K CA -0.053 55.877 56.287 -0.596 0.000 0.923 310 K CB 0.472 32.681 32.500 -0.486 0.000 1.046 310 K HN 0.569 nan 8.250 nan 0.000 0.474 311 W N 4.659 125.895 121.300 -0.106 0.000 2.390 311 W HA 0.410 5.071 4.660 0.001 0.000 0.312 311 W C 0.665 177.164 176.519 -0.033 0.000 1.123 311 W CA -1.071 56.245 57.345 -0.048 0.000 1.202 311 W CB 1.040 30.462 29.460 -0.062 0.000 1.251 311 W HN 0.398 nan 8.180 nan 0.000 0.511 312 R N 2.228 122.914 120.500 0.310 0.000 2.641 312 R HA 0.105 4.446 4.340 0.002 0.000 0.269 312 R C 1.020 177.455 176.300 0.225 0.000 1.074 312 R CA -0.064 56.154 56.100 0.197 0.000 1.133 312 R CB 0.481 30.880 30.300 0.164 0.000 1.029 312 R HN 0.545 nan 8.270 nan 0.000 0.488 313 R N -0.356 120.244 120.500 0.166 0.000 4.022 313 R HA -0.277 4.064 4.340 0.002 0.000 0.428 313 R C 0.305 176.662 176.300 0.094 0.000 1.051 313 R CA 1.274 57.478 56.100 0.175 0.000 1.502 313 R CB -1.945 28.525 30.300 0.283 0.000 2.112 313 R HN 0.514 nan 8.270 nan 0.000 0.547 314 L N -0.060 121.194 121.223 0.053 0.000 2.946 314 L HA 0.345 4.686 4.340 0.002 0.000 0.189 314 L C 0.837 177.692 176.870 -0.023 0.000 1.249 314 L CA -0.067 54.717 54.840 -0.093 0.000 1.098 314 L CB 0.221 42.225 42.059 -0.092 0.000 2.064 314 L HN 0.019 nan 8.230 nan 0.000 0.522 315 N N -2.911 115.771 118.700 -0.030 0.000 2.697 315 N HA 0.212 4.953 4.740 0.002 0.000 0.272 315 N C 0.149 175.650 175.510 -0.014 0.000 1.381 315 N CA -0.469 52.584 53.050 0.006 0.000 0.797 315 N CB 0.902 39.394 38.487 0.007 0.000 1.523 315 N HN 0.390 nan 8.380 nan 0.000 0.518 316 Y N 0.388 120.668 120.300 -0.034 0.000 2.153 316 Y HA -0.075 4.476 4.550 0.001 0.000 0.289 316 Y C 0.374 176.277 175.900 0.005 0.000 1.127 316 Y CA 1.241 59.321 58.100 -0.033 0.000 1.131 316 Y CB -0.139 38.285 38.460 -0.060 0.000 0.995 316 Y HN 0.506 nan 8.280 nan 0.000 0.505 317 D N 1.513 121.999 120.400 0.143 0.000 2.515 317 D HA -0.179 4.462 4.640 0.002 0.000 0.230 317 D C 0.100 176.442 176.300 0.071 0.000 1.181 317 D CA 0.972 55.029 54.000 0.095 0.000 0.875 317 D CB 0.118 40.959 40.800 0.069 0.000 1.213 317 D HN 0.492 nan 8.370 nan 0.000 0.478 318 E N -2.577 117.677 120.200 0.090 0.000 2.416 318 E HA -0.120 4.231 4.350 0.002 0.000 0.249 318 E C -0.689 176.010 176.600 0.166 0.000 1.124 318 E CA 0.703 57.172 56.400 0.115 0.000 0.732 318 E CB -1.833 27.912 29.700 0.075 0.000 1.286 318 E HN 0.613 nan 8.360 nan 0.000 0.394 319 A N 0.913 123.806 122.820 0.121 0.000 2.312 319 A HA 0.752 5.073 4.320 0.002 0.000 0.328 319 A C 0.446 178.151 177.584 0.201 0.000 1.158 319 A CA 0.126 52.217 52.037 0.090 0.000 0.821 319 A CB 1.006 19.935 19.000 -0.119 0.000 1.170 319 A HN 0.288 nan 8.150 nan 0.000 0.490 320 T N -1.123 113.582 114.554 0.252 0.000 2.863 320 T HA 0.514 4.865 4.350 0.002 0.000 0.285 320 T C -0.838 174.079 174.700 0.362 0.000 1.009 320 T CA -0.448 61.879 62.100 0.378 0.000 0.989 320 T CB 0.727 69.916 68.868 0.535 0.000 1.004 320 T HN 0.507 nan 8.240 nan 0.000 0.455 321 W N 2.468 123.837 121.300 0.116 0.000 2.253 321 W HA 0.435 5.096 4.660 0.002 0.000 0.322 321 W C 0.622 177.220 176.519 0.131 0.000 1.342 321 W CA -0.087 57.313 57.345 0.092 0.000 1.218 321 W CB 0.147 29.649 29.460 0.069 0.000 1.205 321 W HN 0.624 nan 8.180 nan 0.000 0.551 322 E N 1.458 121.806 120.200 0.247 0.000 2.429 322 E HA 0.107 4.458 4.350 0.002 0.000 0.276 322 E C -1.295 175.364 176.600 0.099 0.000 0.953 322 E CA -1.495 55.042 56.400 0.228 0.000 0.787 322 E CB 1.444 31.303 29.700 0.265 0.000 1.307 322 E HN 0.206 nan 8.360 nan 0.000 0.458 323 N N 0.469 119.227 118.700 0.097 0.000 2.399 323 N HA 0.159 4.900 4.740 0.002 0.000 0.259 323 N C 0.891 176.354 175.510 -0.077 0.000 1.160 323 N CA 0.560 53.609 53.050 -0.002 0.000 0.946 323 N CB 0.750 39.261 38.487 0.039 0.000 1.156 323 N HN 0.613 nan 8.380 nan 0.000 0.489 324 A N 3.257 125.896 122.820 -0.303 0.000 1.893 324 A HA -0.333 3.988 4.320 0.002 0.000 0.222 324 A C 2.206 179.733 177.584 -0.094 0.000 1.309 324 A CA 2.675 54.460 52.037 -0.421 0.000 0.681 324 A CB -1.606 16.963 19.000 -0.717 0.000 0.842 324 A HN 0.721 nan 8.150 nan 0.000 0.468 325 T N 0.044 114.548 114.554 -0.083 0.000 2.731 325 T HA -0.295 4.056 4.350 0.002 0.000 0.263 325 T C 1.224 175.936 174.700 0.020 0.000 1.033 325 T CA 2.492 64.580 62.100 -0.020 0.000 1.160 325 T CB -0.690 68.168 68.868 -0.016 0.000 0.849 325 T HN 0.914 nan 8.240 nan 0.000 0.469 326 D N -0.659 119.762 120.400 0.035 0.000 2.423 326 D HA 0.192 4.833 4.640 0.002 0.000 0.212 326 D C 1.910 178.257 176.300 0.078 0.000 1.060 326 D CA -0.201 53.831 54.000 0.053 0.000 0.872 326 D CB -0.107 40.723 40.800 0.050 0.000 1.012 326 D HN 0.277 nan 8.370 nan 0.000 0.503 327 I N 1.945 122.578 120.570 0.105 0.000 2.091 327 I HA -0.266 3.905 4.170 0.002 0.000 0.239 327 I C 2.667 178.850 176.117 0.110 0.000 1.061 327 I CA 1.381 62.761 61.300 0.133 0.000 1.317 327 I CB -0.924 37.210 38.000 0.222 0.000 1.031 327 I HN 0.134 nan 8.210 nan 0.000 0.401 328 V N -0.125 119.866 119.914 0.130 0.000 2.392 328 V HA -0.230 3.891 4.120 0.002 0.000 0.249 328 V C 2.048 178.183 176.094 0.069 0.000 1.059 328 V CA 1.675 64.036 62.300 0.101 0.000 1.051 328 V CB -1.154 30.742 31.823 0.121 0.000 0.658 328 V HN 0.407 nan 8.190 nan 0.000 0.455 329 K N 0.411 120.849 120.400 0.063 0.000 2.487 329 K HA 0.216 4.537 4.320 0.002 0.000 0.192 329 K C 1.640 178.271 176.600 0.051 0.000 1.027 329 K CA 1.085 57.402 56.287 0.050 0.000 1.054 329 K CB 0.165 32.690 32.500 0.042 0.000 0.824 329 K HN 0.579 nan 8.250 nan 0.000 0.510 330 L N -1.312 119.949 121.223 0.063 0.000 2.547 330 L HA 0.334 4.675 4.340 0.002 0.000 0.218 330 L C 0.727 177.638 176.870 0.068 0.000 1.048 330 L CA 0.722 55.603 54.840 0.069 0.000 0.859 330 L CB 0.562 42.674 42.059 0.089 0.000 1.128 330 L HN -0.079 nan 8.230 nan 0.000 0.483 331 A N -0.385 122.472 122.820 0.061 0.000 3.214 331 A HA 0.568 4.889 4.320 0.002 0.000 0.304 331 A C -1.933 175.671 177.584 0.033 0.000 0.969 331 A CA -0.892 51.174 52.037 0.048 0.000 0.986 331 A CB -0.427 18.597 19.000 0.039 0.000 1.073 331 A HN 0.244 nan 8.150 nan 0.000 0.487 332 P HA -0.248 nan 4.420 nan 0.000 0.215 332 P C 1.610 178.933 177.300 0.039 0.000 1.163 332 P CA 1.831 64.953 63.100 0.038 0.000 0.894 332 P CB 0.436 32.158 31.700 0.037 0.000 0.791 333 E N 0.273 120.497 120.200 0.041 0.000 2.017 333 E HA -0.236 4.115 4.350 0.002 0.000 0.193 333 E C 2.023 178.673 176.600 0.084 0.000 0.997 333 E CA 1.726 58.156 56.400 0.050 0.000 0.804 333 E CB -1.253 28.464 29.700 0.028 0.000 0.757 333 E HN 0.176 nan 8.360 nan 0.000 0.448 334 Q N 0.456 120.300 119.800 0.073 0.000 2.248 334 Q HA -0.135 4.206 4.340 0.002 0.000 0.208 334 Q C 2.323 178.371 176.000 0.081 0.000 0.984 334 Q CA 1.696 57.562 55.803 0.104 0.000 0.875 334 Q CB -0.995 27.773 28.738 0.050 0.000 0.910 334 Q HN 0.331 nan 8.270 nan 0.000 0.433 335 V N 1.822 121.736 119.914 0.000 0.000 2.256 335 V HA -0.174 3.947 4.120 0.002 0.000 0.240 335 V C 2.524 178.662 176.094 0.074 0.000 1.036 335 V CA 1.635 63.894 62.300 -0.068 0.000 1.008 335 V CB -0.678 31.076 31.823 -0.113 0.000 0.648 335 V HN 0.265 nan 8.190 nan 0.000 0.453 336 K N -0.255 120.195 120.400 0.084 0.000 2.127 336 K HA -0.336 3.985 4.320 0.002 0.000 0.212 336 K C 2.216 178.918 176.600 0.170 0.000 1.050 336 K CA 2.522 58.875 56.287 0.109 0.000 0.929 336 K CB -0.556 31.995 32.500 0.086 0.000 0.715 336 K HN 0.600 nan 8.250 nan 0.000 0.457 337 H N -0.220 118.886 119.070 0.060 0.000 2.293 337 H HA -0.132 4.425 4.556 0.002 0.000 0.300 337 H C 1.936 177.303 175.328 0.064 0.000 1.082 337 H CA 2.048 58.132 56.048 0.059 0.000 1.308 337 H CB -0.854 28.949 29.762 0.068 0.000 1.375 337 H HN 0.245 nan 8.280 nan 0.000 0.495 338 F N 1.321 121.227 119.950 -0.074 0.000 2.063 338 F HA -0.375 4.152 4.527 0.001 0.000 0.298 338 F C 2.351 178.064 175.800 -0.145 0.000 1.105 338 F CA 2.420 60.314 58.000 -0.177 0.000 1.215 338 F CB -0.238 38.630 39.000 -0.220 0.000 0.972 338 F HN 0.282 nan 8.300 nan 0.000 0.483 339 Q N 0.364 120.245 119.800 0.134 0.000 2.016 339 Q HA -0.190 4.151 4.340 0.002 0.000 0.200 339 Q C 1.938 177.884 176.000 -0.090 0.000 0.978 339 Q CA 1.766 57.596 55.803 0.046 0.000 0.833 339 Q CB -0.657 28.158 28.738 0.127 0.000 0.895 339 Q HN 0.386 nan 8.270 nan 0.000 0.427 340 N N 0.821 119.498 118.700 -0.038 0.000 2.192 340 N HA -0.176 4.565 4.740 0.002 0.000 0.188 340 N C 1.390 176.813 175.510 -0.144 0.000 1.013 340 N CA 1.071 54.097 53.050 -0.039 0.000 0.863 340 N CB -0.217 38.306 38.487 0.060 0.000 0.990 340 N HN 0.260 nan 8.380 nan 0.000 0.430 341 R N 0.664 120.982 120.500 -0.303 0.000 2.316 341 R HA -0.064 4.277 4.340 0.002 0.000 0.232 341 R C 1.395 177.487 176.300 -0.346 0.000 1.137 341 R CA 0.804 56.644 56.100 -0.433 0.000 1.012 341 R CB 0.027 29.937 30.300 -0.651 0.000 0.859 341 R HN 0.413 nan 8.270 nan 0.000 0.474 342 E N -0.943 119.085 120.200 -0.288 0.000 2.539 342 E HA 0.089 4.440 4.350 0.002 0.000 0.215 342 E C 0.849 177.349 176.600 -0.167 0.000 0.965 342 E CA -0.175 56.089 56.400 -0.228 0.000 1.019 342 E CB 0.489 30.070 29.700 -0.198 0.000 1.059 342 E HN 0.330 nan 8.360 nan 0.000 0.496 343 N N 0.185 118.811 118.700 -0.124 0.000 2.349 343 N HA -0.035 4.706 4.740 0.002 0.000 0.180 343 N C 0.350 175.825 175.510 -0.058 0.000 1.024 343 N CA 0.164 53.176 53.050 -0.064 0.000 0.869 343 N CB 0.137 38.607 38.487 -0.028 0.000 1.022 343 N HN -0.139 nan 8.380 nan 0.000 0.433 344 S N 1.821 117.480 115.700 -0.068 0.000 4.607 344 S HA -0.163 4.308 4.470 0.002 0.000 0.553 344 S C 1.076 175.645 174.600 -0.051 0.000 0.985 344 S CA 0.193 58.365 58.200 -0.046 0.000 1.016 344 S CB -0.006 63.161 63.200 -0.056 0.000 1.258 344 S HN 0.200 nan 8.310 nan 0.000 0.434 345 K N 3.261 123.666 120.400 0.008 0.000 2.117 345 K HA -0.256 4.065 4.320 0.002 0.000 0.215 345 K C 1.372 177.979 176.600 0.011 0.000 1.053 345 K CA 2.222 58.544 56.287 0.058 0.000 0.935 345 K CB -0.645 31.844 32.500 -0.018 0.000 0.719 345 K HN 0.860 nan 8.250 nan 0.000 0.460 346 I N 0.413 120.892 120.570 -0.151 0.000 3.607 346 I HA 0.037 4.208 4.170 0.002 0.000 0.303 346 I C 0.011 175.946 176.117 -0.304 0.000 1.261 346 I CA -0.065 61.078 61.300 -0.261 0.000 1.215 346 I CB -0.813 36.978 38.000 -0.347 0.000 1.043 346 I HN -0.118 nan 8.210 nan 0.000 0.465 347 L N 2.687 123.650 121.223 -0.435 0.000 2.461 347 L HA 0.177 4.518 4.340 0.002 0.000 0.259 347 L C -0.628 175.934 176.870 -0.514 0.000 1.248 347 L CA -1.426 53.077 54.840 -0.562 0.000 0.823 347 L CB -0.595 40.956 42.059 -0.846 0.000 1.111 347 L HN 0.114 nan 8.230 nan 0.000 0.516 348 P HA -0.113 nan 4.420 nan 0.000 0.219 348 P C 0.685 177.785 177.300 -0.333 0.000 1.154 348 P CA 0.986 63.831 63.100 -0.424 0.000 0.826 348 P CB 0.242 31.652 31.700 -0.484 0.000 0.795 349 Q N -1.632 117.966 119.800 -0.337 0.000 2.432 349 Q HA -0.047 4.294 4.340 0.002 0.000 0.205 349 Q C 1.109 177.100 176.000 -0.014 0.000 0.945 349 Q CA 0.943 56.637 55.803 -0.181 0.000 0.924 349 Q CB -1.270 27.378 28.738 -0.149 0.000 1.016 349 Q HN 0.254 nan 8.270 nan 0.000 0.503 350 Y N 0.851 121.038 120.300 -0.189 0.000 2.488 350 Y HA 0.253 4.804 4.550 0.002 0.000 0.319 350 Y C 0.203 175.988 175.900 -0.192 0.000 1.212 350 Y CA -1.095 56.895 58.100 -0.183 0.000 1.273 350 Y CB -0.698 37.650 38.460 -0.187 0.000 1.074 350 Y HN -0.047 nan 8.280 nan 0.000 0.503 351 S N 0.598 116.263 115.700 -0.060 0.000 2.565 351 S HA 0.224 4.695 4.470 0.002 0.000 0.276 351 S C 0.468 174.992 174.600 -0.127 0.000 1.326 351 S CA -0.606 57.528 58.200 -0.110 0.000 1.045 351 S CB 0.563 63.689 63.200 -0.124 0.000 0.918 351 S HN 0.412 nan 8.310 nan 0.000 0.505 352 S N 3.035 118.634 115.700 -0.169 0.000 2.422 352 S HA 0.392 4.863 4.470 0.002 0.000 0.298 352 S C -0.699 173.680 174.600 -0.369 0.000 1.118 352 S CA -0.884 57.140 58.200 -0.293 0.000 1.083 352 S CB -0.075 62.905 63.200 -0.367 0.000 0.971 352 S HN 0.621 nan 8.310 nan 0.000 0.478 353 N N 2.993 121.507 118.700 -0.309 0.000 2.469 353 N HA 0.311 5.052 4.740 0.002 0.000 0.253 353 N C -1.433 173.966 175.510 -0.185 0.000 0.970 353 N CA -0.530 52.427 53.050 -0.154 0.000 0.940 353 N CB 0.603 39.067 38.487 -0.039 0.000 1.128 353 N HN 0.624 nan 8.380 nan 0.000 0.503 354 Y N 1.150 121.479 120.300 0.049 0.000 2.496 354 Y HA 0.033 4.584 4.550 0.002 0.000 0.334 354 Y C 1.716 177.637 175.900 0.035 0.000 1.080 354 Y CA -0.046 58.085 58.100 0.052 0.000 1.355 354 Y CB 0.416 38.952 38.460 0.126 0.000 1.193 354 Y HN 0.533 nan 8.280 nan 0.000 0.523 355 T N 0.263 114.873 114.554 0.093 0.000 3.160 355 T HA -0.096 4.255 4.350 0.002 0.000 0.210 355 T C 1.839 176.569 174.700 0.050 0.000 0.940 355 T CA 0.960 63.087 62.100 0.045 0.000 1.985 355 T CB -0.386 68.483 68.868 0.002 0.000 1.524 355 T HN 0.573 nan 8.240 nan 0.000 0.428 356 S N 0.667 116.385 115.700 0.031 0.000 2.355 356 S HA 0.040 4.511 4.470 0.002 0.000 0.222 356 S C 1.156 175.770 174.600 0.022 0.000 1.031 356 S CA 1.027 59.237 58.200 0.016 0.000 0.993 356 S CB -0.112 63.091 63.200 0.004 0.000 0.859 356 S HN 0.292 nan 8.310 nan 0.000 0.453 357 Q N 0.415 120.243 119.800 0.046 0.000 2.333 357 Q HA 0.504 4.845 4.340 0.002 0.000 0.266 357 Q C -0.437 175.632 176.000 0.115 0.000 1.053 357 Q CA -0.604 55.221 55.803 0.037 0.000 0.890 357 Q CB 1.781 30.525 28.738 0.010 0.000 1.337 357 Q HN 0.485 nan 8.270 nan 0.000 0.474 358 R N -0.323 120.196 120.500 0.030 0.000 2.651 358 R HA 0.600 4.941 4.340 0.002 0.000 0.278 358 R C -2.634 173.606 176.300 -0.100 0.000 1.010 358 R CA -1.733 54.353 56.100 -0.024 0.000 0.896 358 R CB 1.135 31.442 30.300 0.012 0.000 1.211 358 R HN 0.303 nan 8.270 nan 0.000 0.456 359 P HA -0.128 nan 4.420 nan 0.000 0.269 359 P C -0.628 176.600 177.300 -0.119 0.000 1.200 359 P CA -0.067 62.959 63.100 -0.123 0.000 0.779 359 P CB 0.508 32.097 31.700 -0.185 0.000 0.841 360 R N 1.865 122.297 120.500 -0.114 0.000 2.623 360 R HA 0.098 4.439 4.340 0.002 0.000 0.271 360 R C 0.218 176.509 176.300 -0.015 0.000 1.043 360 R CA -0.253 55.733 56.100 -0.190 0.000 1.083 360 R CB -0.312 29.956 30.300 -0.054 0.000 0.974 360 R HN 0.414 nan 8.270 nan 0.000 0.436 361 F N 1.350 121.309 119.950 0.015 0.000 2.607 361 F HA 0.124 4.652 4.527 0.002 0.000 0.374 361 F C 0.319 176.171 175.800 0.086 0.000 1.104 361 F CA -0.477 57.553 58.000 0.051 0.000 1.296 361 F CB 0.342 39.355 39.000 0.022 0.000 1.085 361 F HN 0.526 nan 8.300 nan 0.000 0.584 362 E N 1.199 121.615 120.200 0.360 0.000 2.431 362 E HA 0.494 4.845 4.350 0.002 0.000 0.240 362 E C -1.309 175.338 176.600 0.078 0.000 0.867 362 E CA -1.363 55.168 56.400 0.219 0.000 0.888 362 E CB 1.711 31.541 29.700 0.217 0.000 1.739 362 E HN 0.510 nan 8.360 nan 0.000 0.413 363 K N 1.092 121.527 120.400 0.057 0.000 2.543 363 K HA 0.356 4.677 4.320 0.002 0.000 0.255 363 K C -2.116 174.540 176.600 0.092 0.000 0.934 363 K CA -0.467 55.795 56.287 -0.041 0.000 0.810 363 K CB 1.048 33.460 32.500 -0.146 0.000 1.315 363 K HN 0.349 nan 8.250 nan 0.000 0.433 364 L N 3.179 124.481 121.223 0.132 0.000 2.377 364 L HA 0.320 4.661 4.340 0.002 0.000 0.270 364 L C 1.168 178.148 176.870 0.184 0.000 0.991 364 L CA -0.401 54.546 54.840 0.178 0.000 0.851 364 L CB 1.842 44.037 42.059 0.228 0.000 1.218 364 L HN 0.726 nan 8.230 nan 0.000 0.420 365 S N 0.673 116.473 115.700 0.166 0.000 2.461 365 S HA 0.162 4.633 4.470 0.002 0.000 0.228 365 S C 0.687 175.357 174.600 0.116 0.000 1.005 365 S CA 0.001 58.294 58.200 0.156 0.000 0.942 365 S CB 0.137 63.412 63.200 0.125 0.000 0.776 365 S HN 0.270 nan 8.310 nan 0.000 0.514 366 V N 2.211 122.192 119.914 0.112 0.000 2.914 366 V HA 0.378 4.499 4.120 0.002 0.000 0.314 366 V C -0.465 175.689 176.094 0.101 0.000 1.084 366 V CA -1.337 61.017 62.300 0.089 0.000 0.963 366 V CB 2.091 33.957 31.823 0.073 0.000 1.025 366 V HN 0.534 nan 8.190 nan 0.000 0.432 367 Q N 3.695 123.541 119.800 0.076 0.000 2.271 367 Q HA 0.298 4.639 4.340 0.002 0.000 0.273 367 Q C -2.523 173.523 176.000 0.075 0.000 1.051 367 Q CA -1.033 54.808 55.803 0.064 0.000 0.901 367 Q CB 0.516 29.278 28.738 0.039 0.000 1.174 367 Q HN 0.429 nan 8.270 nan 0.000 0.385 368 P HA 0.056 nan 4.420 nan 0.000 0.268 368 P C -2.172 175.198 177.300 0.117 0.000 1.204 368 P CA -1.184 62.058 63.100 0.235 0.000 0.768 368 P CB 0.575 32.665 31.700 0.649 0.000 0.842 369 P HA -0.210 nan 4.420 nan 0.000 0.217 369 P C 1.106 178.433 177.300 0.044 0.000 1.151 369 P CA 1.393 64.553 63.100 0.099 0.000 0.849 369 P CB -0.550 31.217 31.700 0.111 0.000 0.787 370 F N -0.659 119.199 119.950 -0.153 0.000 2.583 370 F HA 0.016 4.544 4.527 0.002 0.000 0.297 370 F C 0.787 176.419 175.800 -0.280 0.000 1.131 370 F CA -0.320 57.468 58.000 -0.354 0.000 1.467 370 F CB -1.278 37.309 39.000 -0.689 0.000 1.097 370 F HN -0.145 nan 8.300 nan 0.000 0.586 371 I N 0.073 120.293 120.570 -0.582 0.000 2.306 371 I HA 0.341 4.512 4.170 0.002 0.000 0.288 371 I C 0.224 176.295 176.117 -0.078 0.000 1.036 371 I CA -0.603 60.517 61.300 -0.300 0.000 1.221 371 I CB 1.342 39.179 38.000 -0.272 0.000 1.385 371 I HN 0.033 nan 8.210 nan 0.000 0.472 372 K N 4.108 124.462 120.400 -0.077 0.000 2.358 372 K HA 0.246 4.567 4.320 0.002 0.000 0.200 372 K C 1.701 178.127 176.600 -0.289 0.000 1.030 372 K CA 0.329 56.533 56.287 -0.137 0.000 1.097 372 K CB 0.987 33.415 32.500 -0.121 0.000 0.862 372 K HN 0.870 nan 8.250 nan 0.000 0.534 373 G N 1.757 110.253 108.800 -0.507 0.000 2.587 373 G HA2 -0.158 3.803 3.960 0.002 0.000 0.217 373 G HA3 -0.158 3.803 3.960 0.002 0.000 0.217 373 G C 0.960 175.169 174.900 -1.151 0.000 1.240 373 G CA 1.538 45.837 45.100 -1.334 0.000 0.794 373 G HN 0.457 nan 8.290 nan 0.000 0.580 374 G N -1.855 106.245 108.800 -1.168 0.000 3.482 374 G HA2 0.336 4.297 3.960 0.002 0.000 0.120 374 G HA3 0.336 4.297 3.960 0.002 0.000 0.120 374 G C -0.144 174.746 174.900 -0.017 0.000 1.169 374 G CA 0.353 45.188 45.100 -0.442 0.000 1.382 374 G HN 0.272 nan 8.290 nan 0.000 0.629 375 E N -0.506 119.880 120.200 0.310 0.000 2.586 375 E HA 0.777 5.128 4.350 0.002 0.000 0.232 375 E C -1.127 175.648 176.600 0.293 0.000 0.854 375 E CA -0.357 56.208 56.400 0.276 0.000 0.938 375 E CB 1.764 31.558 29.700 0.157 0.000 1.518 375 E HN 0.829 nan 8.360 nan 0.000 0.400 376 L N -1.488 119.769 121.223 0.057 0.000 4.497 376 L HA 0.282 4.623 4.340 0.002 0.000 0.256 376 L C -0.825 175.927 176.870 -0.197 0.000 1.069 376 L CA -0.911 53.851 54.840 -0.130 0.000 1.292 376 L CB -0.020 41.911 42.059 -0.213 0.000 1.996 376 L HN 0.270 nan 8.230 nan 0.000 0.646 377 R N 1.925 122.249 120.500 -0.292 0.000 2.537 377 R HA 0.045 4.386 4.340 0.002 0.000 0.281 377 R C 0.681 176.776 176.300 -0.343 0.000 0.988 377 R CA 0.428 56.366 56.100 -0.270 0.000 1.077 377 R CB 0.308 30.475 30.300 -0.221 0.000 0.932 377 R HN 0.882 nan 8.270 nan 0.000 0.409 378 D N 3.928 124.256 120.400 -0.120 0.000 3.111 378 D HA -0.328 4.313 4.640 0.002 0.000 0.190 378 D C 1.494 177.771 176.300 -0.039 0.000 1.141 378 D CA 2.324 56.295 54.000 -0.047 0.000 0.888 378 D CB -0.688 40.119 40.800 0.012 0.000 0.905 378 D HN 0.748 nan 8.370 nan 0.000 0.497 379 F N 0.814 120.756 119.950 -0.012 0.000 2.408 379 F HA 0.023 4.550 4.527 0.002 0.000 0.300 379 F C 2.421 178.211 175.800 -0.018 0.000 1.090 379 F CA 0.696 58.682 58.000 -0.023 0.000 1.427 379 F CB -0.762 38.210 39.000 -0.047 0.000 1.070 379 F HN -0.093 nan 8.300 nan 0.000 0.549 380 Q N 1.087 120.514 119.800 -0.622 0.000 1.969 380 Q HA -0.011 4.330 4.340 0.002 0.000 0.198 380 Q C 2.234 178.154 176.000 -0.133 0.000 0.978 380 Q CA 1.921 57.462 55.803 -0.437 0.000 0.830 380 Q CB -0.497 27.917 28.738 -0.539 0.000 0.896 380 Q HN 0.542 nan 8.270 nan 0.000 0.431 381 L N 0.004 121.176 121.223 -0.085 0.000 1.997 381 L HA -0.382 3.959 4.340 0.002 0.000 0.227 381 L C 2.374 179.324 176.870 0.134 0.000 1.087 381 L CA 2.038 56.902 54.840 0.041 0.000 0.797 381 L CB -1.153 40.955 42.059 0.082 0.000 0.902 381 L HN 0.395 nan 8.230 nan 0.000 0.441 382 T N -0.739 113.932 114.554 0.195 0.000 2.680 382 T HA -0.251 4.100 4.350 0.002 0.000 0.268 382 T C 1.746 176.592 174.700 0.243 0.000 1.033 382 T CA 1.398 63.706 62.100 0.345 0.000 1.152 382 T CB -1.101 67.933 68.868 0.277 0.000 0.859 382 T HN 0.633 nan 8.240 nan 0.000 0.452 383 G N 2.337 111.210 108.800 0.122 0.000 2.511 383 G HA2 -0.201 3.760 3.960 0.002 0.000 0.216 383 G HA3 -0.201 3.760 3.960 0.002 0.000 0.216 383 G C 1.555 176.509 174.900 0.089 0.000 1.218 383 G CA 1.215 46.361 45.100 0.077 0.000 0.788 383 G HN 0.655 nan 8.290 nan 0.000 0.560 384 I N 0.140 120.734 120.570 0.040 0.000 2.151 384 I HA -0.231 3.940 4.170 0.002 0.000 0.243 384 I C 2.426 178.505 176.117 -0.063 0.000 1.080 384 I CA 1.591 62.879 61.300 -0.021 0.000 1.339 384 I CB -0.717 37.311 38.000 0.047 0.000 1.039 384 I HN -0.006 nan 8.210 nan 0.000 0.409 385 N N 0.535 119.271 118.700 0.061 0.000 2.069 385 N HA -0.275 4.466 4.740 0.002 0.000 0.196 385 N C 1.515 177.153 175.510 0.213 0.000 1.024 385 N CA 2.207 55.308 53.050 0.085 0.000 0.869 385 N CB -0.547 38.017 38.487 0.128 0.000 1.035 385 N HN 0.658 nan 8.380 nan 0.000 0.434 386 W N 1.741 123.115 121.300 0.123 0.000 2.378 386 W HA -0.052 4.609 4.660 0.002 0.000 0.313 386 W C 2.415 178.908 176.519 -0.043 0.000 1.197 386 W CA 1.409 58.794 57.345 0.066 0.000 1.304 386 W CB -0.390 28.849 29.460 -0.368 0.000 1.148 386 W HN -0.010 nan 8.180 nan 0.000 0.494 387 M N 0.726 120.146 119.600 -0.301 0.000 2.149 387 M HA -0.174 4.307 4.480 0.002 0.000 0.261 387 M C 2.194 178.093 176.300 -0.668 0.000 1.064 387 M CA 1.847 56.642 55.300 -0.843 0.000 1.102 387 M CB -1.306 30.410 32.600 -1.473 0.000 1.369 387 M HN 0.133 nan 8.290 nan 0.000 0.408 388 A N 1.385 123.939 122.820 -0.444 0.000 1.830 388 A HA -0.202 4.119 4.320 0.002 0.000 0.214 388 A C 1.999 179.566 177.584 -0.029 0.000 1.218 388 A CA 1.714 53.564 52.037 -0.311 0.000 0.628 388 A CB -1.436 17.168 19.000 -0.660 0.000 0.860 388 A HN 0.579 nan 8.150 nan 0.000 0.454 389 F N -0.016 119.867 119.950 -0.112 0.000 2.094 389 F HA -0.320 4.208 4.527 0.002 0.000 0.296 389 F C 1.789 177.561 175.800 -0.048 0.000 1.070 389 F CA 2.349 60.346 58.000 -0.003 0.000 1.255 389 F CB -0.344 38.634 39.000 -0.037 0.000 1.000 389 F HN 0.222 nan 8.300 nan 0.000 0.490 390 L N -0.116 121.051 121.223 -0.094 0.000 2.017 390 L HA -0.155 4.186 4.340 0.002 0.000 0.208 390 L C 2.157 178.880 176.870 -0.246 0.000 1.073 390 L CA 2.222 56.862 54.840 -0.332 0.000 0.745 390 L CB -1.445 40.270 42.059 -0.573 0.000 0.894 390 L HN 0.526 nan 8.230 nan 0.000 0.432 391 W N 0.601 121.791 121.300 -0.183 0.000 2.302 391 W HA -0.292 4.369 4.660 0.001 0.000 0.320 391 W C 2.171 178.605 176.519 -0.142 0.000 1.241 391 W CA 2.369 59.662 57.345 -0.086 0.000 1.264 391 W CB -0.377 29.116 29.460 0.055 0.000 1.154 391 W HN 0.325 nan 8.180 nan 0.000 0.483 392 S N 0.471 116.323 115.700 0.254 0.000 3.048 392 S HA 0.075 4.546 4.470 0.002 0.000 0.254 392 S C 0.878 175.298 174.600 -0.300 0.000 1.084 392 S CA 0.268 58.502 58.200 0.057 0.000 1.195 392 S CB -0.260 63.019 63.200 0.131 0.000 0.870 392 S HN 0.234 nan 8.310 nan 0.000 0.483 393 K N -0.242 119.915 120.400 -0.405 0.000 2.562 393 K HA 0.250 4.571 4.320 0.002 0.000 0.218 393 K C 1.176 177.538 176.600 -0.397 0.000 1.374 393 K CA 0.652 56.697 56.287 -0.404 0.000 0.996 393 K CB 0.756 32.989 32.500 -0.445 0.000 1.127 393 K HN 0.493 nan 8.250 nan 0.000 0.603 394 G N 2.389 110.857 108.800 -0.553 0.000 2.159 394 G HA2 -0.184 3.777 3.960 0.002 0.000 0.256 394 G HA3 -0.184 3.777 3.960 0.002 0.000 0.256 394 G C -0.417 174.267 174.900 -0.360 0.000 0.977 394 G CA 0.288 45.035 45.100 -0.588 0.000 0.652 394 G HN 0.210 nan 8.290 nan 0.000 0.531 395 D N 1.087 121.308 120.400 -0.298 0.000 2.177 395 D HA 0.371 5.012 4.640 0.002 0.000 0.247 395 D C 0.398 176.643 176.300 -0.092 0.000 1.063 395 D CA -0.325 53.594 54.000 -0.135 0.000 0.867 395 D CB 0.676 41.351 40.800 -0.208 0.000 1.168 395 D HN 0.528 nan 8.370 nan 0.000 0.445 396 N N 0.357 119.108 118.700 0.084 0.000 2.487 396 N HA 0.608 5.349 4.740 0.002 0.000 0.292 396 N C 0.168 175.832 175.510 0.258 0.000 1.108 396 N CA -0.778 52.366 53.050 0.156 0.000 0.956 396 N CB 2.139 40.745 38.487 0.199 0.000 1.176 396 N HN 0.365 nan 8.380 nan 0.000 0.484 397 G N 0.181 109.099 108.800 0.196 0.000 3.251 397 G HA2 0.698 4.659 3.960 0.002 0.000 0.248 397 G HA3 0.698 4.659 3.960 0.002 0.000 0.248 397 G C -1.152 173.973 174.900 0.375 0.000 1.320 397 G CA -0.571 44.736 45.100 0.345 0.000 0.982 397 G HN 0.446 nan 8.290 nan 0.000 0.575 398 I N -0.150 120.704 120.570 0.472 0.000 2.534 398 I HA 0.322 4.493 4.170 0.002 0.000 0.288 398 I C -1.056 175.190 176.117 0.216 0.000 1.077 398 I CA -0.467 61.006 61.300 0.289 0.000 1.051 398 I CB 2.162 40.272 38.000 0.182 0.000 1.234 398 I HN 0.293 nan 8.210 nan 0.000 0.425 399 L N 6.672 127.999 121.223 0.173 0.000 2.268 399 L HA 0.793 5.134 4.340 0.002 0.000 0.289 399 L C 0.153 177.044 176.870 0.037 0.000 1.064 399 L CA -0.002 54.885 54.840 0.078 0.000 0.824 399 L CB 0.534 42.664 42.059 0.119 0.000 1.202 399 L HN 0.753 nan 8.230 nan 0.000 0.433 400 A N 4.164 126.970 122.820 -0.024 0.000 3.204 400 A HA 0.472 4.793 4.320 0.002 0.000 0.327 400 A C -0.717 176.829 177.584 -0.063 0.000 0.998 400 A CA -0.674 51.349 52.037 -0.022 0.000 0.891 400 A CB -0.375 18.623 19.000 -0.004 0.000 1.061 400 A HN 0.610 nan 8.150 nan 0.000 0.478 401 D N 0.997 121.353 120.400 -0.073 0.000 2.225 401 D HA 0.162 4.803 4.640 0.002 0.000 0.249 401 D C 0.172 176.401 176.300 -0.119 0.000 1.052 401 D CA -0.131 53.805 54.000 -0.106 0.000 0.909 401 D CB 1.231 41.975 40.800 -0.095 0.000 1.186 401 D HN 0.610 nan 8.370 nan 0.000 0.431 402 E N 1.448 121.552 120.200 -0.159 0.000 2.442 402 E HA 0.009 4.360 4.350 0.002 0.000 0.262 402 E C 0.137 176.605 176.600 -0.220 0.000 1.004 402 E CA -0.373 55.898 56.400 -0.215 0.000 0.928 402 E CB 0.563 30.130 29.700 -0.222 0.000 0.937 402 E HN 0.391 nan 8.360 nan 0.000 0.446 403 M N 2.010 121.416 119.600 -0.322 0.000 2.247 403 M HA 0.146 4.627 4.480 0.002 0.000 0.318 403 M C 0.945 177.161 176.300 -0.139 0.000 1.054 403 M CA 1.203 56.362 55.300 -0.235 0.000 1.117 403 M CB 0.224 32.638 32.600 -0.311 0.000 1.515 403 M HN 0.617 nan 8.290 nan 0.000 0.442 404 G N 2.192 110.947 108.800 -0.075 0.000 2.153 404 G HA2 -0.243 3.718 3.960 0.002 0.000 0.252 404 G HA3 -0.243 3.718 3.960 0.002 0.000 0.252 404 G C 0.211 175.097 174.900 -0.024 0.000 0.994 404 G CA 0.411 45.488 45.100 -0.040 0.000 0.698 404 G HN 0.808 nan 8.290 nan 0.000 0.521 405 L N -0.080 121.125 121.223 -0.029 0.000 2.791 405 L HA 0.446 4.787 4.340 0.002 0.000 0.239 405 L C 1.906 178.824 176.870 0.080 0.000 1.203 405 L CA 0.927 55.775 54.840 0.013 0.000 1.002 405 L CB -0.289 41.746 42.059 -0.039 0.000 1.295 405 L HN 0.956 nan 8.230 nan 0.000 0.504 406 G N 0.256 109.063 108.800 0.011 0.000 2.213 406 G HA2 -0.318 3.643 3.960 0.002 0.000 0.236 406 G HA3 -0.318 3.643 3.960 0.002 0.000 0.236 406 G C 1.036 175.895 174.900 -0.069 0.000 0.991 406 G CA 0.364 45.442 45.100 -0.036 0.000 0.629 406 G HN 0.512 nan 8.290 nan 0.000 0.517 407 K N 0.530 120.916 120.400 -0.024 0.000 2.588 407 K HA -0.096 4.225 4.320 0.002 0.000 0.196 407 K C 1.710 178.305 176.600 -0.008 0.000 1.044 407 K CA 1.677 57.969 56.287 0.008 0.000 0.934 407 K CB -0.540 31.983 32.500 0.039 0.000 0.773 407 K HN 0.441 nan 8.250 nan 0.000 0.489 408 T N 1.328 115.774 114.554 -0.179 0.000 2.837 408 T HA -0.065 4.286 4.350 0.002 0.000 0.242 408 T C 1.925 176.516 174.700 -0.182 0.000 1.044 408 T CA 0.644 62.495 62.100 -0.415 0.000 1.202 408 T CB -0.415 67.990 68.868 -0.772 0.000 0.905 408 T HN 0.052 nan 8.240 nan 0.000 0.413 409 V N 1.893 121.642 119.914 -0.275 0.000 2.363 409 V HA -0.288 3.833 4.120 0.002 0.000 0.254 409 V C 2.495 178.452 176.094 -0.230 0.000 1.074 409 V CA 1.946 64.004 62.300 -0.403 0.000 1.069 409 V CB -0.570 30.826 31.823 -0.713 0.000 0.659 409 V HN 0.535 nan 8.190 nan 0.000 0.455 410 Q N -1.542 118.190 119.800 -0.113 0.000 2.297 410 Q HA -0.122 4.219 4.340 0.002 0.000 0.204 410 Q C 2.079 178.176 176.000 0.161 0.000 0.962 410 Q CA 1.782 57.582 55.803 -0.006 0.000 0.879 410 Q CB -0.088 28.651 28.738 0.001 0.000 0.947 410 Q HN 0.725 nan 8.270 nan 0.000 0.462 411 T N 0.268 114.974 114.554 0.255 0.000 2.755 411 T HA -0.063 4.288 4.350 0.002 0.000 0.251 411 T C 2.103 177.083 174.700 0.467 0.000 1.044 411 T CA 0.888 63.249 62.100 0.436 0.000 1.154 411 T CB -0.435 68.766 68.868 0.554 0.000 0.866 411 T HN -0.012 nan 8.240 nan 0.000 0.416 412 V N 2.523 122.734 119.914 0.496 0.000 2.226 412 V HA -0.332 3.789 4.120 0.002 0.000 0.254 412 V C 2.955 179.205 176.094 0.261 0.000 1.065 412 V CA 2.238 64.849 62.300 0.518 0.000 1.039 412 V CB -1.556 30.537 31.823 0.449 0.000 0.653 412 V HN 0.601 nan 8.190 nan 0.000 0.450 413 A N -0.556 122.341 122.820 0.128 0.000 1.869 413 A HA -0.319 4.002 4.320 0.002 0.000 0.218 413 A C 2.104 179.812 177.584 0.207 0.000 1.203 413 A CA 2.471 54.552 52.037 0.073 0.000 0.638 413 A CB -0.955 18.026 19.000 -0.032 0.000 0.831 413 A HN 0.577 nan 8.150 nan 0.000 0.450 414 F N 0.580 120.600 119.950 0.115 0.000 2.373 414 F HA -0.170 4.358 4.527 0.002 0.000 0.300 414 F C 1.749 177.692 175.800 0.238 0.000 1.080 414 F CA 0.793 58.879 58.000 0.143 0.000 1.417 414 F CB -0.022 39.049 39.000 0.118 0.000 1.070 414 F HN 0.160 nan 8.300 nan 0.000 0.546 415 I N -1.058 119.617 120.570 0.174 0.000 2.206 415 I HA -0.197 3.974 4.170 0.002 0.000 0.239 415 I C 2.594 178.786 176.117 0.125 0.000 1.078 415 I CA 1.060 62.407 61.300 0.078 0.000 1.367 415 I CB -1.757 36.363 38.000 0.199 0.000 1.078 415 I HN -0.011 nan 8.210 nan 0.000 0.413 416 S N 0.289 116.106 115.700 0.195 0.000 2.393 416 S HA -0.294 4.177 4.470 0.002 0.000 0.234 416 S C 1.725 176.680 174.600 0.592 0.000 1.064 416 S CA 2.223 60.638 58.200 0.358 0.000 1.088 416 S CB -0.583 62.702 63.200 0.140 0.000 0.939 416 S HN 0.574 nan 8.310 nan 0.000 0.448 417 W N 1.814 123.267 121.300 0.254 0.000 2.329 417 W HA -0.148 4.513 4.660 0.001 0.000 0.324 417 W C 1.831 178.292 176.519 -0.096 0.000 1.222 417 W CA 1.052 58.516 57.345 0.199 0.000 1.270 417 W CB -0.638 28.855 29.460 0.056 0.000 1.167 417 W HN 0.152 nan 8.180 nan 0.000 0.467 418 L N 0.665 121.908 121.223 0.033 0.000 2.010 418 L HA -0.303 4.038 4.340 0.002 0.000 0.219 418 L C 2.268 178.987 176.870 -0.252 0.000 1.077 418 L CA 2.026 56.691 54.840 -0.291 0.000 0.773 418 L CB -1.848 39.926 42.059 -0.475 0.000 0.892 418 L HN 0.181 nan 8.230 nan 0.000 0.436 419 I N -1.605 118.931 120.570 -0.057 0.000 2.054 419 I HA -0.339 3.832 4.170 0.002 0.000 0.231 419 I C 2.088 178.080 176.117 -0.208 0.000 1.052 419 I CA 1.364 62.615 61.300 -0.081 0.000 1.320 419 I CB -0.447 37.569 38.000 0.027 0.000 1.063 419 I HN 0.026 nan 8.210 nan 0.000 0.393 420 F N 0.341 120.187 119.950 -0.175 0.000 2.771 420 F HA -0.003 4.525 4.527 0.002 0.000 0.299 420 F C 1.683 177.113 175.800 -0.616 0.000 1.177 420 F CA 0.737 58.518 58.000 -0.365 0.000 1.450 420 F CB -0.092 38.645 39.000 -0.438 0.000 1.114 420 F HN 0.103 nan 8.300 nan 0.000 0.587 421 A N -1.465 121.041 122.820 -0.523 0.000 2.591 421 A HA 0.311 4.632 4.320 0.002 0.000 0.204 421 A C 1.427 178.498 177.584 -0.855 0.000 1.410 421 A CA -0.218 51.346 52.037 -0.788 0.000 1.065 421 A CB 0.471 18.759 19.000 -1.186 0.000 1.362 421 A HN 0.024 nan 8.150 nan 0.000 0.566 422 R N -0.219 119.812 120.500 -0.782 0.000 2.659 422 R HA 0.319 4.660 4.340 0.002 0.000 0.418 422 R C 0.489 176.608 176.300 -0.303 0.000 1.076 422 R CA -0.067 55.692 56.100 -0.568 0.000 1.093 422 R CB -0.431 29.366 30.300 -0.838 0.000 1.400 422 R HN 0.549 nan 8.270 nan 0.000 0.583 423 R N 1.508 121.822 120.500 -0.309 0.000 3.984 423 R HA -0.252 4.089 4.340 0.002 0.000 0.323 423 R C -0.737 175.453 176.300 -0.184 0.000 1.258 423 R CA 1.896 57.851 56.100 -0.241 0.000 0.998 423 R CB -0.624 29.552 30.300 -0.205 0.000 1.389 423 R HN 0.392 nan 8.270 nan 0.000 0.565 424 Q N 0.492 120.194 119.800 -0.164 0.000 2.316 424 Q HA 0.391 4.732 4.340 0.002 0.000 0.264 424 Q C -0.073 175.895 176.000 -0.054 0.000 0.987 424 Q CA -0.465 55.277 55.803 -0.102 0.000 0.852 424 Q CB 1.151 29.880 28.738 -0.015 0.000 1.287 424 Q HN 0.335 nan 8.270 nan 0.000 0.448 425 N N 0.825 119.491 118.700 -0.058 0.000 2.537 425 N HA 0.060 4.801 4.740 0.002 0.000 0.239 425 N C 0.049 175.297 175.510 -0.437 0.000 1.402 425 N CA 0.092 53.094 53.050 -0.080 0.000 1.311 425 N CB -0.046 38.367 38.487 -0.123 0.000 1.386 425 N HN 0.651 nan 8.380 nan 0.000 0.561 426 G N 2.182 110.756 108.800 -0.376 0.000 2.700 426 G HA2 0.023 3.984 3.960 0.002 0.000 0.179 426 G HA3 0.023 3.984 3.960 0.002 0.000 0.179 426 G C -2.370 172.132 174.900 -0.663 0.000 1.497 426 G CA 0.926 45.774 45.100 -0.420 0.000 0.839 426 G HN 0.321 nan 8.290 nan 0.000 0.540 427 P HA 0.411 nan 4.420 nan 0.000 0.306 427 P C -1.381 175.815 177.300 -0.174 0.000 1.399 427 P CA -0.597 62.066 63.100 -0.728 0.000 0.992 427 P CB 2.048 33.116 31.700 -1.054 0.000 1.148 428 H N 1.807 121.021 119.070 0.241 0.000 2.621 428 H HA 0.632 5.189 4.556 0.002 0.000 0.360 428 H C -0.470 175.176 175.328 0.530 0.000 1.163 428 H CA -0.831 55.474 56.048 0.430 0.000 1.194 428 H CB 2.197 32.147 29.762 0.312 0.000 1.649 428 H HN 0.392 nan 8.280 nan 0.000 0.532 429 I N 2.945 123.713 120.570 0.330 0.000 2.548 429 I HA 0.336 4.507 4.170 0.002 0.000 0.287 429 I C -1.355 174.612 176.117 -0.251 0.000 1.103 429 I CA -0.495 60.727 61.300 -0.129 0.000 1.049 429 I CB 0.923 38.332 38.000 -0.985 0.000 1.232 429 I HN 0.409 nan 8.210 nan 0.000 0.429 430 I N 7.517 127.925 120.570 -0.271 0.000 2.474 430 I HA 0.506 4.677 4.170 0.002 0.000 0.294 430 I C -0.624 175.215 176.117 -0.463 0.000 1.005 430 I CA -1.107 59.950 61.300 -0.406 0.000 1.113 430 I CB 1.839 39.521 38.000 -0.530 0.000 1.289 430 I HN 0.143 nan 8.210 nan 0.000 0.436 431 V N 5.667 125.307 119.914 -0.456 0.000 2.427 431 V HA 0.627 4.748 4.120 0.002 0.000 0.286 431 V C 0.001 175.781 176.094 -0.524 0.000 1.034 431 V CA -0.643 61.365 62.300 -0.487 0.000 0.893 431 V CB 1.580 33.136 31.823 -0.445 0.000 0.982 431 V HN 0.523 nan 8.190 nan 0.000 0.452 432 V N 4.994 124.572 119.914 -0.561 0.000 3.007 432 V HA 0.482 4.603 4.120 0.002 0.000 0.311 432 V C -2.671 173.332 176.094 -0.151 0.000 1.120 432 V CA -2.222 59.890 62.300 -0.313 0.000 0.980 432 V CB 2.834 34.455 31.823 -0.337 0.000 1.033 432 V HN 0.694 nan 8.190 nan 0.000 0.429 433 P HA 0.196 nan 4.420 nan 0.000 0.271 433 P C 0.616 178.027 177.300 0.185 0.000 1.233 433 P CA -0.130 63.127 63.100 0.260 0.000 0.764 433 P CB 0.479 32.339 31.700 0.267 0.000 0.825 434 L N 2.031 123.357 121.223 0.172 0.000 2.197 434 L HA -0.267 4.074 4.340 0.002 0.000 0.215 434 L C 2.136 179.086 176.870 0.134 0.000 1.095 434 L CA 1.942 56.866 54.840 0.140 0.000 0.764 434 L CB -1.713 40.425 42.059 0.131 0.000 0.897 434 L HN 0.315 nan 8.230 nan 0.000 0.436 435 S N -0.866 114.917 115.700 0.140 0.000 2.383 435 S HA -0.184 4.287 4.470 0.002 0.000 0.229 435 S C 1.801 176.478 174.600 0.129 0.000 1.030 435 S CA 1.866 60.141 58.200 0.124 0.000 1.002 435 S CB -0.712 62.563 63.200 0.125 0.000 0.829 435 S HN 0.738 nan 8.310 nan 0.000 0.467 436 T N -2.151 112.504 114.554 0.169 0.000 3.084 436 T HA 0.386 4.737 4.350 0.002 0.000 0.270 436 T C 1.213 176.078 174.700 0.274 0.000 1.008 436 T CA -0.262 61.946 62.100 0.180 0.000 0.900 436 T CB -0.064 68.917 68.868 0.189 0.000 1.084 436 T HN 0.132 nan 8.240 nan 0.000 0.538 437 M N 1.906 121.655 119.600 0.247 0.000 2.200 437 M HA 0.075 4.556 4.480 0.002 0.000 0.265 437 M C -0.969 175.449 176.300 0.196 0.000 1.066 437 M CA 1.240 56.692 55.300 0.253 0.000 1.127 437 M CB -0.642 32.031 32.600 0.120 0.000 1.379 437 M HN 0.120 nan 8.290 nan 0.000 0.420 438 P HA -0.184 nan 4.420 nan 0.000 0.217 438 P C 0.884 178.251 177.300 0.112 0.000 1.148 438 P CA 2.158 65.328 63.100 0.116 0.000 0.834 438 P CB -0.292 31.465 31.700 0.096 0.000 0.783 439 A N -0.375 122.507 122.820 0.103 0.000 1.821 439 A HA -0.136 4.185 4.320 0.002 0.000 0.215 439 A C 2.143 179.753 177.584 0.042 0.000 1.214 439 A CA 1.572 53.626 52.037 0.027 0.000 0.608 439 A CB -1.928 17.027 19.000 -0.074 0.000 0.862 439 A HN 0.103 nan 8.150 nan 0.000 0.448 440 W N 0.235 121.520 121.300 -0.025 0.000 2.262 440 W HA -0.318 4.344 4.660 0.002 0.000 0.331 440 W C 2.195 178.647 176.519 -0.111 0.000 1.315 440 W CA 1.880 59.155 57.345 -0.117 0.000 1.302 440 W CB -0.964 28.352 29.460 -0.238 0.000 1.128 440 W HN 0.308 nan 8.180 nan 0.000 0.482 441 L N -0.483 120.845 121.223 0.175 0.000 1.997 441 L HA -0.323 4.018 4.340 0.002 0.000 0.216 441 L C 2.247 179.241 176.870 0.207 0.000 1.074 441 L CA 1.823 56.756 54.840 0.155 0.000 0.763 441 L CB -1.193 40.950 42.059 0.140 0.000 0.890 441 L HN 0.062 nan 8.230 nan 0.000 0.434 442 D N -0.294 120.207 120.400 0.168 0.000 2.092 442 D HA -0.167 4.474 4.640 0.002 0.000 0.193 442 D C 2.092 178.534 176.300 0.237 0.000 0.994 442 D CA 2.176 56.276 54.000 0.166 0.000 0.828 442 D CB -0.485 40.386 40.800 0.118 0.000 0.963 442 D HN 0.403 nan 8.370 nan 0.000 0.450 443 T N 0.868 115.576 114.554 0.255 0.000 2.778 443 T HA -0.186 4.165 4.350 0.002 0.000 0.269 443 T C 1.819 176.887 174.700 0.613 0.000 1.050 443 T CA 0.765 63.100 62.100 0.392 0.000 1.137 443 T CB -0.317 68.686 68.868 0.224 0.000 0.860 443 T HN 0.005 nan 8.240 nan 0.000 0.468 444 F N 2.375 122.492 119.950 0.278 0.000 2.039 444 F HA 0.042 4.570 4.527 0.001 0.000 0.294 444 F C 2.337 178.259 175.800 0.203 0.000 1.130 444 F CA 0.914 59.072 58.000 0.264 0.000 1.189 444 F CB -0.969 38.183 39.000 0.252 0.000 0.983 444 F HN 0.375 nan 8.300 nan 0.000 0.471 445 E N -0.061 120.344 120.200 0.342 0.000 2.505 445 E HA -0.104 4.247 4.350 0.002 0.000 0.197 445 E C 1.636 178.290 176.600 0.090 0.000 1.111 445 E CA 0.565 57.062 56.400 0.162 0.000 0.887 445 E CB -0.235 29.542 29.700 0.129 0.000 0.913 445 E HN 0.390 nan 8.360 nan 0.000 0.517 446 K N -0.120 120.359 120.400 0.131 0.000 2.240 446 K HA 0.039 4.360 4.320 0.002 0.000 0.202 446 K C 0.624 177.109 176.600 -0.192 0.000 1.053 446 K CA 0.556 56.803 56.287 -0.067 0.000 0.973 446 K CB 0.119 32.574 32.500 -0.075 0.000 0.924 446 K HN 0.235 nan 8.250 nan 0.000 0.477 447 W N -0.044 121.275 121.300 0.032 0.000 2.915 447 W HA 0.363 5.024 4.660 0.001 0.000 0.276 447 W C 0.434 176.905 176.519 -0.080 0.000 1.215 447 W CA -0.144 57.186 57.345 -0.024 0.000 1.514 447 W CB 0.843 30.304 29.460 0.002 0.000 1.017 447 W HN 0.008 nan 8.180 nan 0.000 0.598 448 A N 0.496 123.395 122.820 0.130 0.000 3.248 448 A HA 0.402 4.723 4.320 0.002 0.000 0.315 448 A C -1.958 175.619 177.584 -0.012 0.000 0.974 448 A CA -0.932 51.099 52.037 -0.010 0.000 0.939 448 A CB 0.003 18.914 19.000 -0.148 0.000 1.061 448 A HN -0.131 nan 8.150 nan 0.000 0.481 449 P HA -0.137 nan 4.420 nan 0.000 0.216 449 P C 0.679 177.929 177.300 -0.084 0.000 1.153 449 P CA 1.132 64.209 63.100 -0.039 0.000 0.848 449 P CB 0.186 31.851 31.700 -0.059 0.000 0.787 450 D N -0.648 119.739 120.400 -0.021 0.000 2.351 450 D HA -0.047 4.594 4.640 0.002 0.000 0.216 450 D C 0.855 177.211 176.300 0.093 0.000 0.968 450 D CA 0.587 54.604 54.000 0.028 0.000 0.899 450 D CB -0.097 40.809 40.800 0.177 0.000 0.907 450 D HN 0.243 nan 8.370 nan 0.000 0.514 451 L N 1.264 122.539 121.223 0.086 0.000 2.439 451 L HA 0.089 4.430 4.340 0.002 0.000 0.269 451 L C 0.761 177.766 176.870 0.225 0.000 1.179 451 L CA -0.315 54.603 54.840 0.130 0.000 0.828 451 L CB 0.361 42.433 42.059 0.021 0.000 1.106 451 L HN -0.163 nan 8.230 nan 0.000 0.467 452 N N 2.424 121.282 118.700 0.262 0.000 2.609 452 N HA 0.294 5.035 4.740 0.002 0.000 0.234 452 N C -0.998 174.709 175.510 0.328 0.000 1.001 452 N CA -0.575 52.676 53.050 0.336 0.000 0.926 452 N CB 0.498 39.093 38.487 0.179 0.000 1.130 452 N HN 0.604 nan 8.380 nan 0.000 0.510 453 C N 2.270 121.794 119.300 0.374 0.000 2.561 453 C HA 0.727 5.188 4.460 0.002 0.000 0.319 453 C C -0.470 174.698 174.990 0.297 0.000 1.198 453 C CA -1.171 58.085 59.018 0.397 0.000 1.665 453 C CB 0.469 28.552 27.740 0.572 0.000 2.258 453 C HN 0.466 nan 8.230 nan 0.000 0.493 454 I N 2.603 123.286 120.570 0.187 0.000 2.447 454 I HA 0.402 4.573 4.170 0.002 0.000 0.287 454 I C 0.608 176.709 176.117 -0.026 0.000 1.023 454 I CA -0.895 60.423 61.300 0.030 0.000 1.083 454 I CB 1.217 39.108 38.000 -0.182 0.000 1.245 454 I HN 1.182 nan 8.210 nan 0.000 0.434 455 C N 6.003 125.315 119.300 0.020 0.000 2.459 455 C HA 0.499 4.960 4.460 0.002 0.000 0.374 455 C C -0.183 174.819 174.990 0.021 0.000 1.241 455 C CA -0.505 58.529 59.018 0.026 0.000 2.352 455 C CB 0.557 28.345 27.740 0.079 0.000 2.490 455 C HN 0.704 nan 8.230 nan 0.000 0.583 456 Y N 3.906 124.066 120.300 -0.232 0.000 2.747 456 Y HA 0.515 5.065 4.550 0.001 0.000 0.362 456 Y C -0.016 175.577 175.900 -0.512 0.000 1.026 456 Y CA -1.283 56.576 58.100 -0.402 0.000 1.135 456 Y CB 0.140 38.351 38.460 -0.415 0.000 1.175 456 Y HN 0.729 nan 8.280 nan 0.000 0.643 457 M N 1.867 121.280 119.600 -0.313 0.000 2.364 457 M HA 0.701 5.182 4.480 0.002 0.000 0.334 457 M C 0.319 176.491 176.300 -0.213 0.000 1.107 457 M CA -0.739 54.439 55.300 -0.203 0.000 0.988 457 M CB 1.847 34.445 32.600 -0.003 0.000 1.673 457 M HN 0.599 nan 8.290 nan 0.000 0.441 458 G N 2.962 111.690 108.800 -0.119 0.000 2.907 458 G HA2 -0.174 3.787 3.960 0.002 0.000 0.686 458 G HA3 -0.174 3.787 3.960 0.002 0.000 0.686 458 G C -0.345 174.507 174.900 -0.080 0.000 1.115 458 G CA -0.318 44.754 45.100 -0.047 0.000 0.760 458 G HN 0.983 nan 8.290 nan 0.000 0.620 459 N N 0.296 119.041 118.700 0.075 0.000 2.220 459 N HA 0.071 4.812 4.740 0.002 0.000 0.195 459 N C 1.262 176.793 175.510 0.036 0.000 1.123 459 N CA 1.075 54.195 53.050 0.117 0.000 0.874 459 N CB 0.596 39.183 38.487 0.166 0.000 0.995 459 N HN 0.737 nan 8.380 nan 0.000 0.498 460 Q N 0.515 120.327 119.800 0.021 0.000 2.563 460 Q HA 0.312 4.653 4.340 0.002 0.000 0.186 460 Q C 1.019 177.038 176.000 0.032 0.000 0.805 460 Q CA 0.035 55.857 55.803 0.031 0.000 0.828 460 Q CB 0.519 29.279 28.738 0.035 0.000 1.157 460 Q HN 0.085 nan 8.270 nan 0.000 0.619 461 K N 0.333 120.757 120.400 0.040 0.000 2.432 461 K HA 0.023 4.344 4.320 0.002 0.000 0.196 461 K C 1.997 178.638 176.600 0.069 0.000 1.038 461 K CA 0.906 57.229 56.287 0.060 0.000 0.986 461 K CB 0.147 32.689 32.500 0.070 0.000 0.782 461 K HN 0.144 nan 8.250 nan 0.000 0.485 462 S N 2.002 117.718 115.700 0.026 0.000 2.336 462 S HA -0.215 4.256 4.470 0.002 0.000 0.214 462 S C 2.083 176.653 174.600 -0.051 0.000 1.032 462 S CA 0.986 59.174 58.200 -0.020 0.000 1.001 462 S CB -0.224 62.877 63.200 -0.165 0.000 0.953 462 S HN 0.259 nan 8.310 nan 0.000 0.430 463 R N 1.120 121.565 120.500 -0.093 0.000 2.265 463 R HA -0.243 4.098 4.340 0.002 0.000 0.256 463 R C 1.798 178.146 176.300 0.080 0.000 1.120 463 R CA 2.796 58.904 56.100 0.015 0.000 0.956 463 R CB -0.856 29.462 30.300 0.029 0.000 0.925 463 R HN 0.666 nan 8.270 nan 0.000 0.448 464 D N -1.496 118.945 120.400 0.069 0.000 2.137 464 D HA -0.069 4.572 4.640 0.002 0.000 0.202 464 D C 1.837 178.200 176.300 0.106 0.000 0.970 464 D CA 1.598 55.650 54.000 0.086 0.000 0.837 464 D CB -0.647 40.200 40.800 0.077 0.000 0.981 464 D HN 0.327 nan 8.370 nan 0.000 0.475 465 T N 2.342 116.966 114.554 0.117 0.000 2.622 465 T HA -0.120 4.231 4.350 0.002 0.000 0.266 465 T C 2.118 176.905 174.700 0.146 0.000 1.047 465 T CA 0.701 62.911 62.100 0.184 0.000 1.159 465 T CB -0.149 68.907 68.868 0.313 0.000 0.863 465 T HN 0.068 nan 8.240 nan 0.000 0.422 466 I N 1.352 121.911 120.570 -0.017 0.000 2.163 466 I HA -0.151 4.020 4.170 0.002 0.000 0.243 466 I C 2.615 178.780 176.117 0.080 0.000 1.085 466 I CA 1.483 62.712 61.300 -0.119 0.000 1.347 466 I CB -1.040 36.870 38.000 -0.149 0.000 1.044 466 I HN 0.256 nan 8.210 nan 0.000 0.408 467 R N 0.434 121.009 120.500 0.125 0.000 2.185 467 R HA -0.208 4.133 4.340 0.002 0.000 0.247 467 R C 1.930 178.351 176.300 0.202 0.000 1.159 467 R CA 1.054 57.270 56.100 0.192 0.000 0.988 467 R CB -0.289 30.110 30.300 0.165 0.000 0.871 467 R HN 0.401 nan 8.270 nan 0.000 0.458 468 E N -0.622 119.688 120.200 0.183 0.000 2.511 468 E HA -0.161 4.190 4.350 0.002 0.000 0.196 468 E C 0.428 177.175 176.600 0.245 0.000 1.066 468 E CA 0.680 57.191 56.400 0.186 0.000 0.871 468 E CB 0.263 30.071 29.700 0.181 0.000 0.863 468 E HN 0.414 nan 8.360 nan 0.000 0.520 469 Y N -0.476 119.881 120.300 0.095 0.000 2.652 469 Y HA 0.196 4.747 4.550 0.001 0.000 0.274 469 Y C 1.986 177.915 175.900 0.048 0.000 1.148 469 Y CA 0.262 58.408 58.100 0.078 0.000 1.219 469 Y CB 0.367 38.881 38.460 0.089 0.000 1.337 469 Y HN -0.055 nan 8.280 nan 0.000 0.490 470 E N 0.273 120.582 120.200 0.180 0.000 2.023 470 E HA -0.133 4.218 4.350 0.002 0.000 0.196 470 E C 0.228 176.864 176.600 0.060 0.000 1.003 470 E CA 1.212 57.638 56.400 0.042 0.000 0.809 470 E CB -0.141 29.519 29.700 -0.067 0.000 0.755 470 E HN 0.240 nan 8.360 nan 0.000 0.449 471 F N -1.193 118.811 119.950 0.091 0.000 2.139 471 F HA 0.155 4.684 4.527 0.004 0.000 0.273 471 F C 0.629 176.471 175.800 0.070 0.000 1.058 471 F CA -0.333 57.711 58.000 0.072 0.000 1.149 471 F CB -0.126 38.906 39.000 0.053 0.000 1.739 471 F HN 0.027 nan 8.300 nan 0.000 0.536 472 Y N -0.281 120.138 120.300 0.198 0.000 2.545 472 Y HA 0.205 4.756 4.550 0.002 0.000 0.324 472 Y C 1.449 177.386 175.900 0.061 0.000 1.220 472 Y CA -0.915 57.219 58.100 0.057 0.000 1.290 472 Y CB 0.851 39.320 38.460 0.015 0.000 1.355 472 Y HN 0.512 nan 8.280 nan 0.000 0.516 473 T N 1.058 114.904 114.554 -1.180 0.000 2.849 473 T HA -0.129 4.222 4.350 0.002 0.000 0.270 473 T C 0.371 174.877 174.700 -0.323 0.000 1.066 473 T CA 1.114 62.812 62.100 -0.670 0.000 1.130 473 T CB -0.493 67.939 68.868 -0.726 0.000 0.864 473 T HN 0.415 nan 8.240 nan 0.000 0.481 474 N N 1.956 120.526 118.700 -0.217 0.000 2.453 474 N HA 0.222 4.963 4.740 0.002 0.000 0.253 474 N C -2.098 173.380 175.510 -0.053 0.000 1.252 474 N CA -1.030 51.998 53.050 -0.038 0.000 0.917 474 N CB 0.066 38.611 38.487 0.097 0.000 1.117 474 N HN 0.156 nan 8.380 nan 0.000 0.442 482 T N 1.320 116.010 114.554 0.226 0.000 2.782 482 T HA 0.311 4.662 4.350 0.002 0.000 0.298 482 T C 0.155 174.856 174.700 0.002 0.000 0.944 482 T CA -0.381 61.750 62.100 0.053 0.000 1.001 482 T CB 0.184 69.060 68.868 0.013 0.000 0.932 482 T HN 0.091 nan 8.240 nan 0.000 0.524 483 M N 3.857 123.314 119.600 -0.238 0.000 2.143 483 M HA 0.216 4.697 4.480 0.002 0.000 0.348 483 M C 1.177 177.240 176.300 -0.395 0.000 1.375 483 M CA -0.131 54.902 55.300 -0.446 0.000 1.124 483 M CB 0.777 32.923 32.600 -0.757 0.000 1.669 483 M HN 0.164 nan 8.290 nan 0.000 0.469 484 K N 3.991 124.270 120.400 -0.202 0.000 2.469 484 K HA 0.199 4.520 4.320 0.002 0.000 0.201 484 K C -0.741 175.776 176.600 -0.140 0.000 1.028 484 K CA 0.156 56.330 56.287 -0.188 0.000 1.170 484 K CB -0.442 31.974 32.500 -0.140 0.000 0.874 484 K HN 0.595 nan 8.250 nan 0.000 0.507 485 F N -2.427 117.378 119.950 -0.242 0.000 2.540 485 F HA 0.404 4.932 4.527 0.001 0.000 0.317 485 F C 0.629 176.341 175.800 -0.146 0.000 1.104 485 F CA -1.129 56.781 58.000 -0.150 0.000 0.913 485 F CB 0.846 39.799 39.000 -0.079 0.000 1.170 485 F HN -0.261 nan 8.300 nan 0.000 0.450 486 N N 1.103 119.800 118.700 -0.004 0.000 2.106 486 N HA 0.064 4.805 4.740 0.002 0.000 0.188 486 N C -0.677 174.882 175.510 0.083 0.000 1.029 486 N CA 1.258 54.264 53.050 -0.073 0.000 0.848 486 N CB 0.153 38.666 38.487 0.043 0.000 1.007 486 N HN 0.368 nan 8.380 nan 0.000 0.423 487 V N 1.480 121.643 119.914 0.415 0.000 2.668 487 V HA 0.375 4.496 4.120 0.002 0.000 0.304 487 V C -1.124 175.276 176.094 0.510 0.000 1.071 487 V CA -1.017 61.600 62.300 0.529 0.000 0.894 487 V CB 1.809 33.990 31.823 0.597 0.000 1.008 487 V HN 0.064 nan 8.190 nan 0.000 0.425 488 L N 4.429 125.913 121.223 0.434 0.000 2.303 488 L HA 0.981 5.322 4.340 0.002 0.000 0.266 488 L C -1.036 175.817 176.870 -0.029 0.000 1.011 488 L CA -0.999 53.886 54.840 0.075 0.000 0.818 488 L CB 1.510 43.418 42.059 -0.252 0.000 1.326 488 L HN 0.501 nan 8.230 nan 0.000 0.435 489 L N 1.084 122.236 121.223 -0.118 0.000 2.445 489 L HA 0.916 5.257 4.340 0.002 0.000 0.262 489 L C -0.184 176.618 176.870 -0.113 0.000 0.974 489 L CA -0.063 54.671 54.840 -0.175 0.000 0.822 489 L CB 2.412 44.354 42.059 -0.195 0.000 1.339 489 L HN 1.094 nan 8.230 nan 0.000 0.409 490 T N -2.550 111.920 114.554 -0.140 0.000 2.787 490 T HA 0.564 4.915 4.350 0.002 0.000 0.297 490 T C -0.636 174.017 174.700 -0.078 0.000 1.221 490 T CA -0.685 61.413 62.100 -0.003 0.000 1.006 490 T CB 1.932 70.866 68.868 0.110 0.000 1.328 490 T HN 0.352 nan 8.240 nan 0.000 0.509 491 T N 1.240 115.871 114.554 0.129 0.000 2.829 491 T HA 0.411 4.762 4.350 0.002 0.000 0.282 491 T C 0.690 175.364 174.700 -0.044 0.000 0.990 491 T CA -0.441 61.611 62.100 -0.079 0.000 1.028 491 T CB 0.427 69.357 68.868 0.102 0.000 0.951 491 T HN 0.661 nan 8.240 nan 0.000 0.460 492 Y N 1.221 121.534 120.300 0.022 0.000 2.218 492 Y HA -0.365 4.186 4.550 0.001 0.000 0.272 492 Y C 2.318 178.193 175.900 -0.042 0.000 1.280 492 Y CA 1.818 59.916 58.100 -0.004 0.000 1.117 492 Y CB -0.974 37.467 38.460 -0.032 0.000 0.924 492 Y HN 0.742 nan 8.280 nan 0.000 0.522 493 E N -0.616 119.585 120.200 0.001 0.000 2.113 493 E HA -0.281 4.070 4.350 0.002 0.000 0.210 493 E C 1.658 178.097 176.600 -0.269 0.000 1.040 493 E CA 2.269 58.501 56.400 -0.281 0.000 0.847 493 E CB -0.600 28.668 29.700 -0.719 0.000 0.755 493 E HN 0.709 nan 8.360 nan 0.000 0.459 494 Y N -0.002 120.334 120.300 0.059 0.000 2.529 494 Y HA 0.090 4.641 4.550 0.001 0.000 0.290 494 Y C 1.836 177.825 175.900 0.147 0.000 1.177 494 Y CA 0.168 58.309 58.100 0.068 0.000 1.305 494 Y CB -0.056 38.419 38.460 0.025 0.000 1.047 494 Y HN 0.058 nan 8.280 nan 0.000 0.522 495 I N -1.035 119.679 120.570 0.239 0.000 3.251 495 I HA -0.138 4.033 4.170 0.002 0.000 0.277 495 I C 1.591 177.822 176.117 0.190 0.000 1.268 495 I CA 0.891 62.347 61.300 0.261 0.000 1.449 495 I CB 0.120 38.270 38.000 0.250 0.000 1.083 495 I HN 0.281 nan 8.210 nan 0.000 0.464 496 L N 0.379 121.678 121.223 0.126 0.000 2.515 496 L HA 0.106 4.447 4.340 0.002 0.000 0.202 496 L C 2.229 179.150 176.870 0.086 0.000 1.056 496 L CA 0.982 55.875 54.840 0.087 0.000 0.847 496 L CB -0.189 41.902 42.059 0.053 0.000 1.131 496 L HN -0.121 nan 8.230 nan 0.000 0.484 497 K N -0.375 120.069 120.400 0.074 0.000 2.281 497 K HA -0.145 4.176 4.320 0.002 0.000 0.203 497 K C -0.091 176.584 176.600 0.125 0.000 1.046 497 K CA 1.812 58.146 56.287 0.078 0.000 0.938 497 K CB 0.101 32.635 32.500 0.057 0.000 0.737 497 K HN 0.334 nan 8.250 nan 0.000 0.458 498 D N -1.186 119.322 120.400 0.181 0.000 2.673 498 D HA 0.013 4.654 4.640 0.002 0.000 0.278 498 D C 0.635 177.079 176.300 0.239 0.000 1.393 498 D CA -0.120 54.015 54.000 0.225 0.000 0.805 498 D CB 0.340 41.325 40.800 0.310 0.000 1.110 498 D HN 0.193 nan 8.370 nan 0.000 0.476 499 R N 1.459 122.062 120.500 0.172 0.000 2.096 499 R HA -0.101 4.240 4.340 0.002 0.000 0.235 499 R C 1.785 178.125 176.300 0.066 0.000 1.127 499 R CA 1.457 57.619 56.100 0.103 0.000 0.968 499 R CB 0.015 30.331 30.300 0.027 0.000 0.861 499 R HN 0.063 nan 8.270 nan 0.000 0.440 500 A N 2.394 125.264 122.820 0.083 0.000 1.859 500 A HA -0.289 4.032 4.320 0.002 0.000 0.218 500 A C 2.070 179.720 177.584 0.110 0.000 1.209 500 A CA 2.151 54.234 52.037 0.076 0.000 0.639 500 A CB -0.776 18.271 19.000 0.078 0.000 0.835 500 A HN 0.744 nan 8.150 nan 0.000 0.450 501 E N -0.421 119.875 120.200 0.160 0.000 2.028 501 E HA -0.109 4.242 4.350 0.002 0.000 0.190 501 E C 2.118 178.886 176.600 0.280 0.000 0.984 501 E CA 1.240 57.762 56.400 0.203 0.000 0.800 501 E CB -0.550 29.281 29.700 0.217 0.000 0.758 501 E HN 0.519 nan 8.360 nan 0.000 0.448 502 L N 1.523 122.956 121.223 0.349 0.000 2.083 502 L HA -0.068 4.273 4.340 0.002 0.000 0.209 502 L C 2.697 179.972 176.870 0.676 0.000 1.083 502 L CA 1.462 56.640 54.840 0.564 0.000 0.752 502 L CB -0.693 41.752 42.059 0.642 0.000 0.899 502 L HN 0.318 nan 8.230 nan 0.000 0.433 503 G N -0.575 108.333 108.800 0.180 0.000 2.513 503 G HA2 -0.336 3.625 3.960 0.002 0.000 0.219 503 G HA3 -0.336 3.625 3.960 0.002 0.000 0.219 503 G C 1.384 176.345 174.900 0.101 0.000 1.160 503 G CA 1.107 46.067 45.100 -0.232 0.000 0.767 503 G HN 0.515 nan 8.290 nan 0.000 0.571 504 S N 0.153 115.957 115.700 0.173 0.000 2.840 504 S HA 0.418 4.889 4.470 0.002 0.000 0.235 504 S C 0.254 174.986 174.600 0.220 0.000 0.968 504 S CA -0.431 57.870 58.200 0.168 0.000 1.026 504 S CB -0.030 63.239 63.200 0.116 0.000 0.788 504 S HN 0.069 nan 8.310 nan 0.000 0.487 505 I N 3.068 123.841 120.570 0.338 0.000 2.377 505 I HA 0.293 4.464 4.170 0.002 0.000 0.293 505 I C 0.219 176.329 176.117 -0.012 0.000 0.987 505 I CA -1.271 60.109 61.300 0.133 0.000 1.185 505 I CB 1.363 39.421 38.000 0.097 0.000 1.341 505 I HN 0.245 nan 8.210 nan 0.000 0.455 506 K N 5.457 125.744 120.400 -0.187 0.000 2.262 506 K HA 0.203 4.524 4.320 0.002 0.000 0.288 506 K C -1.239 175.199 176.600 -0.270 0.000 1.090 506 K CA -0.168 56.053 56.287 -0.110 0.000 0.918 506 K CB -0.148 32.310 32.500 -0.070 0.000 1.139 506 K HN 0.351 nan 8.250 nan 0.000 0.462 507 W N 2.055 123.408 121.300 0.088 0.000 2.496 507 W HA 0.268 4.928 4.660 0.001 0.000 0.327 507 W C 1.442 178.041 176.519 0.133 0.000 1.086 507 W CA -0.577 56.818 57.345 0.083 0.000 1.222 507 W CB 1.381 30.883 29.460 0.071 0.000 1.304 507 W HN 0.564 nan 8.180 nan 0.000 0.547 508 Q N 1.438 121.508 119.800 0.450 0.000 2.103 508 Q HA 0.183 4.524 4.340 0.002 0.000 0.193 508 Q C -0.069 176.273 176.000 0.570 0.000 0.986 508 Q CA 0.383 56.460 55.803 0.457 0.000 0.834 508 Q CB 0.300 29.313 28.738 0.459 0.000 0.915 508 Q HN 0.485 nan 8.270 nan 0.000 0.483 509 F N 0.820 121.006 119.950 0.394 0.000 2.450 509 F HA 0.515 5.043 4.527 0.001 0.000 0.332 509 F C -0.769 175.122 175.800 0.152 0.000 1.093 509 F CA -0.938 57.167 58.000 0.175 0.000 1.003 509 F CB 1.531 40.457 39.000 -0.123 0.000 1.151 509 F HN 0.024 nan 8.300 nan 0.000 0.474 510 M N 5.915 125.274 119.600 -0.400 0.000 2.213 510 M HA 0.640 5.121 4.480 0.002 0.000 0.286 510 M C -1.757 174.173 176.300 -0.616 0.000 1.008 510 M CA -0.272 54.760 55.300 -0.446 0.000 0.937 510 M CB 1.587 34.025 32.600 -0.271 0.000 1.600 510 M HN 0.701 nan 8.290 nan 0.000 0.450 511 A N 3.493 126.010 122.820 -0.505 0.000 2.347 511 A HA 0.952 5.273 4.320 0.002 0.000 0.301 511 A C -1.462 175.992 177.584 -0.215 0.000 1.163 511 A CA -0.723 51.122 52.037 -0.320 0.000 0.860 511 A CB 2.011 20.865 19.000 -0.242 0.000 1.367 511 A HN 0.948 nan 8.150 nan 0.000 0.461 512 V N 0.409 120.258 119.914 -0.109 0.000 2.823 512 V HA 0.469 4.590 4.120 0.002 0.000 0.296 512 V C -1.733 174.380 176.094 0.031 0.000 1.250 512 V CA -0.590 61.655 62.300 -0.091 0.000 0.939 512 V CB 1.703 33.491 31.823 -0.059 0.000 1.062 512 V HN 1.085 nan 8.190 nan 0.000 0.433 513 D N 3.535 123.974 120.400 0.064 0.000 2.383 513 D HA 0.300 4.941 4.640 0.002 0.000 0.248 513 D C 0.576 177.014 176.300 0.231 0.000 1.170 513 D CA 0.460 54.605 54.000 0.242 0.000 0.977 513 D CB 1.515 42.593 40.800 0.463 0.000 1.120 513 D HN 0.899 nan 8.370 nan 0.000 0.481 514 E N -0.144 120.206 120.200 0.250 0.000 1.996 514 E HA -0.238 4.113 4.350 0.002 0.000 0.187 514 E C -0.719 176.015 176.600 0.223 0.000 1.346 514 E CA 0.786 57.353 56.400 0.277 0.000 0.679 514 E CB -1.154 28.720 29.700 0.291 0.000 1.049 514 E HN 0.397 nan 8.360 nan 0.000 0.315 515 A N 2.087 125.010 122.820 0.172 0.000 2.833 515 A HA 0.081 4.402 4.320 0.002 0.000 0.293 515 A C 1.284 178.899 177.584 0.052 0.000 1.338 515 A CA 0.155 52.236 52.037 0.074 0.000 0.959 515 A CB -0.335 18.709 19.000 0.074 0.000 1.094 515 A HN 0.620 nan 8.150 nan 0.000 0.569 516 H N 0.053 119.142 119.070 0.031 0.000 2.456 516 H HA -0.087 4.470 4.556 0.002 0.000 0.296 516 H C 1.334 176.651 175.328 -0.019 0.000 1.079 516 H CA 1.245 57.301 56.048 0.013 0.000 1.322 516 H CB -0.275 29.504 29.762 0.028 0.000 1.388 516 H HN 0.574 nan 8.280 nan 0.000 0.538 517 R N 0.414 120.626 120.500 -0.480 0.000 2.226 517 R HA -0.035 4.306 4.340 0.002 0.000 0.246 517 R C 1.177 177.337 176.300 -0.233 0.000 1.161 517 R CA 0.726 56.568 56.100 -0.430 0.000 0.997 517 R CB 0.003 30.018 30.300 -0.474 0.000 0.870 517 R HN 0.318 nan 8.270 nan 0.000 0.465 518 L N 2.194 123.326 121.223 -0.151 0.000 3.100 518 L HA 0.117 4.458 4.340 0.002 0.000 0.259 518 L C 1.294 178.114 176.870 -0.083 0.000 1.316 518 L CA 0.032 54.800 54.840 -0.120 0.000 0.992 518 L CB 0.305 42.267 42.059 -0.162 0.000 1.390 518 L HN 0.154 nan 8.230 nan 0.000 0.550 519 K N -0.940 119.417 120.400 -0.072 0.000 2.217 519 K HA -0.094 4.227 4.320 0.002 0.000 0.202 519 K C 0.787 177.318 176.600 -0.116 0.000 1.051 519 K CA 0.314 56.566 56.287 -0.058 0.000 0.952 519 K CB 0.183 32.667 32.500 -0.027 0.000 0.736 519 K HN 0.195 nan 8.250 nan 0.000 0.453 520 N N 0.773 119.389 118.700 -0.141 0.000 2.530 520 N HA 0.090 4.831 4.740 0.002 0.000 0.273 520 N C -0.001 175.266 175.510 -0.405 0.000 1.173 520 N CA 0.228 53.160 53.050 -0.197 0.000 0.967 520 N CB 1.584 39.990 38.487 -0.135 0.000 1.109 520 N HN 0.269 nan 8.380 nan 0.000 0.453 521 A N 2.772 125.277 122.820 -0.525 0.000 2.252 521 A HA 0.045 4.366 4.320 0.002 0.000 0.213 521 A C 1.338 178.635 177.584 -0.478 0.000 1.188 521 A CA 0.204 51.621 52.037 -1.034 0.000 0.863 521 A CB -0.064 18.511 19.000 -0.707 0.000 0.893 521 A HN 0.787 nan 8.150 nan 0.000 0.495 522 E N 0.495 120.577 120.200 -0.196 0.000 2.244 522 E HA 0.022 4.373 4.350 0.002 0.000 0.196 522 E C 0.874 177.485 176.600 0.018 0.000 0.939 522 E CA 0.709 57.087 56.400 -0.037 0.000 0.884 522 E CB -1.111 28.569 29.700 -0.034 0.000 0.850 522 E HN 0.441 nan 8.360 nan 0.000 0.481 523 S N 1.570 117.261 115.700 -0.015 0.000 2.784 523 S HA -0.025 4.446 4.470 0.002 0.000 0.322 523 S C 0.927 175.565 174.600 0.063 0.000 1.234 523 S CA 0.243 58.444 58.200 0.003 0.000 1.064 523 S CB 0.654 63.833 63.200 -0.036 0.000 0.787 523 S HN 0.130 nan 8.310 nan 0.000 0.506 524 S N 3.569 119.300 115.700 0.052 0.000 2.488 524 S HA -0.099 4.372 4.470 0.002 0.000 0.246 524 S C 1.554 176.216 174.600 0.102 0.000 0.992 524 S CA 1.141 59.387 58.200 0.076 0.000 0.963 524 S CB -0.683 62.547 63.200 0.051 0.000 0.754 524 S HN 0.689 nan 8.310 nan 0.000 0.519 525 L N -0.097 121.182 121.223 0.094 0.000 1.924 525 L HA -0.201 4.140 4.340 0.002 0.000 0.222 525 L C 2.069 179.030 176.870 0.151 0.000 1.081 525 L CA 2.085 56.994 54.840 0.115 0.000 0.780 525 L CB -0.847 41.248 42.059 0.060 0.000 0.891 525 L HN 0.245 nan 8.230 nan 0.000 0.434 526 Y N 0.458 120.757 120.300 -0.002 0.000 1.997 526 Y HA -0.427 4.124 4.550 0.002 0.000 0.265 526 Y C 2.825 178.816 175.900 0.152 0.000 1.193 526 Y CA 2.448 60.572 58.100 0.040 0.000 1.106 526 Y CB -0.367 38.093 38.460 -0.001 0.000 0.940 526 Y HN 0.304 nan 8.280 nan 0.000 0.494 527 E N -0.706 119.667 120.200 0.288 0.000 2.160 527 E HA -0.211 4.140 4.350 0.002 0.000 0.195 527 E C 2.181 178.837 176.600 0.094 0.000 0.991 527 E CA 1.595 58.102 56.400 0.179 0.000 0.810 527 E CB -0.278 29.515 29.700 0.155 0.000 0.742 527 E HN 0.428 nan 8.360 nan 0.000 0.466 528 S N -0.726 115.037 115.700 0.104 0.000 2.503 528 S HA 0.182 4.653 4.470 0.002 0.000 0.217 528 S C 1.842 176.525 174.600 0.137 0.000 0.999 528 S CA -0.299 57.940 58.200 0.065 0.000 0.914 528 S CB 0.182 63.426 63.200 0.075 0.000 0.782 528 S HN 0.245 nan 8.310 nan 0.000 0.520 529 L N 1.242 122.610 121.223 0.241 0.000 2.270 529 L HA 0.104 4.445 4.340 0.002 0.000 0.210 529 L C 1.741 178.800 176.870 0.315 0.000 1.104 529 L CA 0.631 55.714 54.840 0.405 0.000 0.804 529 L CB -0.404 41.902 42.059 0.412 0.000 0.937 529 L HN 0.263 nan 8.230 nan 0.000 0.450 530 N N -0.580 118.217 118.700 0.162 0.000 2.457 530 N HA -0.110 4.631 4.740 0.002 0.000 0.180 530 N C 1.711 177.210 175.510 -0.019 0.000 1.050 530 N CA 0.626 53.652 53.050 -0.039 0.000 0.906 530 N CB 0.182 38.587 38.487 -0.135 0.000 0.968 530 N HN 0.024 nan 8.380 nan 0.000 0.445 531 S N -0.429 115.258 115.700 -0.021 0.000 2.727 531 S HA 0.130 4.601 4.470 0.002 0.000 0.226 531 S C 0.133 174.586 174.600 -0.246 0.000 0.963 531 S CA 0.010 58.133 58.200 -0.128 0.000 0.950 531 S CB -0.337 62.756 63.200 -0.177 0.000 0.779 531 S HN 0.094 nan 8.310 nan 0.000 0.532 532 F N 0.861 120.820 119.950 0.016 0.000 2.507 532 F HA 0.512 5.040 4.527 0.002 0.000 0.327 532 F C 0.171 176.006 175.800 0.059 0.000 1.068 532 F CA -1.284 56.738 58.000 0.037 0.000 0.965 532 F CB 1.440 40.411 39.000 -0.048 0.000 1.192 532 F HN -0.254 nan 8.300 nan 0.000 0.476 533 K N 2.511 123.195 120.400 0.473 0.000 2.244 533 K HA 0.412 4.733 4.320 0.002 0.000 0.263 533 K C -1.351 175.452 176.600 0.339 0.000 1.103 533 K CA -0.278 56.206 56.287 0.329 0.000 0.966 533 K CB 0.780 33.475 32.500 0.325 0.000 1.429 533 K HN 0.361 nan 8.250 nan 0.000 0.434 534 V N -0.313 119.728 119.914 0.212 0.000 2.540 534 V HA 0.625 4.746 4.120 0.002 0.000 0.302 534 V C 0.907 177.110 176.094 0.182 0.000 1.035 534 V CA -0.820 61.607 62.300 0.210 0.000 0.873 534 V CB 1.612 33.504 31.823 0.115 0.000 0.992 534 V HN 0.540 nan 8.190 nan 0.000 0.428 535 A N 3.540 126.509 122.820 0.248 0.000 1.969 535 A HA 0.156 4.477 4.320 0.002 0.000 0.218 535 A C 0.957 178.679 177.584 0.230 0.000 1.169 535 A CA 1.210 53.383 52.037 0.227 0.000 0.635 535 A CB -0.427 18.754 19.000 0.302 0.000 0.810 535 A HN 0.895 nan 8.150 nan 0.000 0.445 536 N N -1.867 117.045 118.700 0.354 0.000 2.591 536 N HA 0.491 5.232 4.740 0.002 0.000 0.263 536 N C -1.668 174.095 175.510 0.421 0.000 1.308 536 N CA -0.499 52.823 53.050 0.453 0.000 0.837 536 N CB 1.657 40.522 38.487 0.629 0.000 1.548 536 N HN 0.164 nan 8.380 nan 0.000 0.493 537 R N 0.869 121.591 120.500 0.369 0.000 2.514 537 R HA 0.416 4.757 4.340 0.002 0.000 0.296 537 R C -0.686 175.758 176.300 0.239 0.000 1.012 537 R CA -0.489 55.699 56.100 0.148 0.000 0.897 537 R CB 2.413 32.776 30.300 0.106 0.000 1.184 537 R HN 0.535 nan 8.270 nan 0.000 0.440 538 M N 3.796 123.429 119.600 0.055 0.000 2.423 538 M HA 0.574 5.055 4.480 0.002 0.000 0.335 538 M C -1.634 174.725 176.300 0.099 0.000 1.177 538 M CA -0.301 55.108 55.300 0.181 0.000 1.038 538 M CB 1.116 33.870 32.600 0.256 0.000 1.641 538 M HN 0.519 nan 8.290 nan 0.000 0.455 539 L N 5.456 126.772 121.223 0.156 0.000 2.401 539 L HA 0.639 4.980 4.340 0.002 0.000 0.266 539 L C -1.211 175.739 176.870 0.135 0.000 0.991 539 L CA -0.742 54.176 54.840 0.129 0.000 0.818 539 L CB 2.224 44.369 42.059 0.143 0.000 1.321 539 L HN 0.725 nan 8.230 nan 0.000 0.413 540 I N 0.977 121.621 120.570 0.123 0.000 2.474 540 I HA 0.716 4.887 4.170 0.002 0.000 0.294 540 I C -0.262 175.932 176.117 0.128 0.000 1.005 540 I CA -0.465 60.916 61.300 0.133 0.000 1.113 540 I CB 2.120 40.223 38.000 0.172 0.000 1.289 540 I HN 0.534 nan 8.210 nan 0.000 0.436 541 T N 2.459 117.076 114.554 0.105 0.000 2.830 541 T HA 0.475 4.826 4.350 0.002 0.000 0.322 541 T C -0.356 174.368 174.700 0.039 0.000 1.501 541 T CA -0.420 61.743 62.100 0.105 0.000 1.036 541 T CB 1.721 70.657 68.868 0.113 0.000 1.379 541 T HN 0.835 nan 8.240 nan 0.000 0.493 542 G N 1.625 110.422 108.800 -0.005 0.000 3.939 542 G HA2 0.506 4.467 3.960 0.002 0.000 0.268 542 G HA3 0.506 4.467 3.960 0.002 0.000 0.268 542 G C -0.103 174.753 174.900 -0.073 0.000 1.172 542 G CA -0.026 45.024 45.100 -0.083 0.000 1.614 542 G HN 0.827 nan 8.290 nan 0.000 0.639 543 T N 1.103 115.646 114.554 -0.019 0.000 3.393 543 T HA 0.508 4.859 4.350 0.002 0.000 0.359 543 T C -3.091 171.628 174.700 0.031 0.000 1.380 543 T CA -0.790 61.313 62.100 0.006 0.000 1.132 543 T CB 2.483 71.362 68.868 0.017 0.000 1.284 543 T HN 0.067 nan 8.240 nan 0.000 0.477 544 P HA 0.488 nan 4.420 nan 0.000 0.292 544 P C -0.475 176.876 177.300 0.085 0.000 1.283 544 P CA -0.729 62.411 63.100 0.066 0.000 0.835 544 P CB 0.873 32.668 31.700 0.158 0.000 1.017 545 L N 2.784 124.055 121.223 0.079 0.000 2.416 545 L HA 0.082 4.423 4.340 0.002 0.000 0.272 545 L C 1.362 178.318 176.870 0.143 0.000 1.161 545 L CA 0.031 54.928 54.840 0.096 0.000 0.845 545 L CB 0.636 42.743 42.059 0.079 0.000 1.119 545 L HN 0.446 nan 8.230 nan 0.000 0.464 546 Q N 1.761 121.614 119.800 0.088 0.000 2.418 546 Q HA 0.112 4.453 4.340 0.002 0.000 0.176 546 Q C 1.481 177.499 176.000 0.030 0.000 0.747 546 Q CA 0.139 55.975 55.803 0.055 0.000 0.776 546 Q CB -0.331 28.432 28.738 0.042 0.000 1.118 546 Q HN 0.546 nan 8.270 nan 0.000 0.570 547 N N 1.705 120.421 118.700 0.027 0.000 2.007 547 N HA -0.114 4.627 4.740 0.002 0.000 0.197 547 N C 0.399 175.927 175.510 0.030 0.000 1.050 547 N CA 0.708 53.771 53.050 0.021 0.000 0.856 547 N CB -0.588 37.908 38.487 0.016 0.000 1.050 547 N HN 0.297 nan 8.380 nan 0.000 0.423 548 N N 1.474 120.194 118.700 0.033 0.000 2.301 548 N HA -0.125 4.616 4.740 0.002 0.000 0.267 548 N C 1.031 176.572 175.510 0.052 0.000 1.304 548 N CA 0.212 53.282 53.050 0.034 0.000 0.851 548 N CB 0.880 39.385 38.487 0.029 0.000 1.070 548 N HN 0.219 nan 8.380 nan 0.000 0.483 549 I N 3.886 124.489 120.570 0.055 0.000 2.810 549 I HA -0.023 4.148 4.170 0.002 0.000 0.262 549 I C 1.791 177.953 176.117 0.076 0.000 1.131 549 I CA 1.007 62.360 61.300 0.088 0.000 1.453 549 I CB 0.129 38.187 38.000 0.096 0.000 1.161 549 I HN 0.281 nan 8.210 nan 0.000 0.444 550 K N 0.665 121.089 120.400 0.040 0.000 2.103 550 K HA -0.150 4.171 4.320 0.002 0.000 0.204 550 K C 1.946 178.550 176.600 0.006 0.000 1.052 550 K CA 1.329 57.628 56.287 0.020 0.000 0.945 550 K CB -0.481 32.014 32.500 -0.008 0.000 0.722 550 K HN 0.515 nan 8.250 nan 0.000 0.443 551 E N 0.998 121.201 120.200 0.004 0.000 2.031 551 E HA -0.176 4.175 4.350 0.002 0.000 0.193 551 E C 2.133 178.750 176.600 0.028 0.000 0.994 551 E CA 0.761 57.161 56.400 0.001 0.000 0.800 551 E CB -0.091 29.613 29.700 0.006 0.000 0.752 551 E HN 0.052 nan 8.360 nan 0.000 0.447 552 L N 1.015 122.263 121.223 0.042 0.000 2.010 552 L HA -0.323 4.018 4.340 0.002 0.000 0.219 552 L C 2.495 179.393 176.870 0.046 0.000 1.077 552 L CA 2.438 57.305 54.840 0.045 0.000 0.773 552 L CB -0.585 41.512 42.059 0.063 0.000 0.892 552 L HN 0.301 nan 8.230 nan 0.000 0.436 553 A N -1.035 121.824 122.820 0.065 0.000 1.841 553 A HA -0.219 4.102 4.320 0.002 0.000 0.216 553 A C 2.438 180.082 177.584 0.099 0.000 1.199 553 A CA 2.230 54.315 52.037 0.081 0.000 0.621 553 A CB -1.382 17.674 19.000 0.093 0.000 0.835 553 A HN 0.519 nan 8.150 nan 0.000 0.445 554 A N -0.374 122.491 122.820 0.076 0.000 1.927 554 A HA -0.156 4.165 4.320 0.002 0.000 0.220 554 A C 2.207 179.966 177.584 0.290 0.000 1.185 554 A CA 1.883 53.991 52.037 0.118 0.000 0.639 554 A CB -0.807 18.109 19.000 -0.139 0.000 0.820 554 A HN 0.530 nan 8.150 nan 0.000 0.451 555 L N -1.082 120.238 121.223 0.162 0.000 2.005 555 L HA -0.148 4.193 4.340 0.002 0.000 0.207 555 L C 2.527 179.511 176.870 0.190 0.000 1.072 555 L CA 1.230 56.168 54.840 0.163 0.000 0.744 555 L CB -0.967 41.139 42.059 0.078 0.000 0.895 555 L HN 0.228 nan 8.230 nan 0.000 0.433 556 V N 0.256 120.226 119.914 0.093 0.000 2.223 556 V HA -0.308 3.813 4.120 0.002 0.000 0.244 556 V C 2.363 178.493 176.094 0.061 0.000 1.045 556 V CA 2.124 64.428 62.300 0.007 0.000 1.000 556 V CB -0.719 31.057 31.823 -0.079 0.000 0.635 556 V HN 0.542 nan 8.190 nan 0.000 0.445 557 N N -0.788 117.978 118.700 0.109 0.000 2.417 557 N HA -0.208 4.533 4.740 0.002 0.000 0.187 557 N C 1.676 177.293 175.510 0.178 0.000 1.027 557 N CA 1.477 54.608 53.050 0.134 0.000 0.891 557 N CB -0.183 38.409 38.487 0.175 0.000 0.956 557 N HN 0.521 nan 8.380 nan 0.000 0.442 558 F N 1.870 121.871 119.950 0.085 0.000 2.025 558 F HA -0.146 4.382 4.527 0.001 0.000 0.291 558 F C 2.159 177.946 175.800 -0.022 0.000 1.150 558 F CA 1.207 59.198 58.000 -0.014 0.000 1.166 558 F CB -0.786 38.227 39.000 0.022 0.000 0.995 558 F HN 0.001 nan 8.300 nan 0.000 0.474 559 L N -0.768 120.527 121.223 0.120 0.000 2.456 559 L HA 0.141 4.482 4.340 0.002 0.000 0.224 559 L C 0.075 176.917 176.870 -0.048 0.000 1.148 559 L CA 1.287 56.123 54.840 -0.006 0.000 0.825 559 L CB -0.999 41.151 42.059 0.151 0.000 0.937 559 L HN 0.269 nan 8.230 nan 0.000 0.450 560 M N 0.432 119.999 119.600 -0.055 0.000 2.167 560 M HA 0.331 4.811 4.480 0.002 0.000 0.218 560 M C -2.430 173.844 176.300 -0.044 0.000 0.968 560 M CA -1.022 54.243 55.300 -0.057 0.000 1.004 560 M CB 1.966 34.522 32.600 -0.074 0.000 2.485 560 M HN -0.235 nan 8.290 nan 0.000 0.404 561 P HA 0.087 nan 4.420 nan 0.000 0.232 561 P C 0.370 177.673 177.300 0.006 0.000 1.606 561 P CA 0.644 63.738 63.100 -0.010 0.000 1.105 561 P CB -0.224 31.460 31.700 -0.025 0.000 1.919 562 G N 0.964 109.770 108.800 0.010 0.000 4.918 562 G HA2 0.066 4.027 3.960 0.002 0.000 0.220 562 G HA3 0.066 4.027 3.960 0.002 0.000 0.220 562 G C 0.152 175.069 174.900 0.028 0.000 2.090 562 G CA -0.471 44.645 45.100 0.028 0.000 0.632 562 G HN 0.084 nan 8.290 nan 0.000 0.234 563 R N -0.579 119.949 120.500 0.047 0.000 3.066 563 R HA 0.683 5.024 4.340 0.002 0.000 0.143 563 R C -0.449 176.032 176.300 0.301 0.000 1.187 563 R CA -0.566 55.553 56.100 0.031 0.000 0.722 563 R CB -0.011 30.235 30.300 -0.091 0.000 1.366 563 R HN 0.115 nan 8.270 nan 0.000 0.421 575 Q N -0.035 119.757 119.800 -0.014 0.000 2.474 575 Q HA 0.083 4.424 4.340 0.002 0.000 0.256 575 Q C -0.047 175.950 176.000 -0.005 0.000 1.048 575 Q CA 0.017 55.815 55.803 -0.008 0.000 0.922 575 Q CB 0.537 29.272 28.738 -0.005 0.000 1.288 575 Q HN 0.533 nan 8.270 nan 0.000 0.484 576 D N 1.744 122.142 120.400 -0.003 0.000 2.309 576 D HA -0.146 4.495 4.640 0.002 0.000 0.212 576 D C 1.047 177.352 176.300 0.009 0.000 0.968 576 D CA 0.754 54.755 54.000 0.002 0.000 0.882 576 D CB 0.399 41.199 40.800 -0.000 0.000 0.918 576 D HN 0.495 nan 8.370 nan 0.000 0.503 577 E N 1.004 121.208 120.200 0.007 0.000 2.106 577 E HA -0.152 4.199 4.350 0.002 0.000 0.192 577 E C 1.833 178.449 176.600 0.026 0.000 0.984 577 E CA 0.741 57.148 56.400 0.011 0.000 0.806 577 E CB -0.174 29.529 29.700 0.005 0.000 0.750 577 E HN 0.537 nan 8.360 nan 0.000 0.458 578 E N 0.666 120.881 120.200 0.025 0.000 2.216 578 E HA -0.076 4.275 4.350 0.002 0.000 0.192 578 E C 1.853 178.492 176.600 0.065 0.000 0.988 578 E CA 0.378 56.802 56.400 0.041 0.000 0.834 578 E CB -0.002 29.707 29.700 0.014 0.000 0.772 578 E HN 0.250 nan 8.360 nan 0.000 0.479 579 Q N 0.272 120.098 119.800 0.042 0.000 2.403 579 Q HA -0.032 4.309 4.340 0.002 0.000 0.203 579 Q C 1.629 177.690 176.000 0.102 0.000 0.932 579 Q CA 0.331 56.172 55.803 0.063 0.000 0.945 579 Q CB 0.368 29.117 28.738 0.019 0.000 1.045 579 Q HN 0.252 nan 8.270 nan 0.000 0.511 580 E N 0.740 120.989 120.200 0.081 0.000 2.216 580 E HA -0.099 4.252 4.350 0.002 0.000 0.192 580 E C 1.069 177.729 176.600 0.100 0.000 0.973 580 E CA 0.373 56.814 56.400 0.069 0.000 0.851 580 E CB 0.423 30.141 29.700 0.031 0.000 0.804 580 E HN 0.326 nan 8.360 nan 0.000 0.477 581 E N -0.360 119.907 120.200 0.112 0.000 2.076 581 E HA -0.144 4.207 4.350 0.002 0.000 0.190 581 E C 1.663 178.379 176.600 0.192 0.000 0.979 581 E CA 0.653 57.132 56.400 0.131 0.000 0.807 581 E CB -0.152 29.607 29.700 0.098 0.000 0.761 581 E HN 0.244 nan 8.360 nan 0.000 0.454 582 Y N 1.468 121.817 120.300 0.081 0.000 2.128 582 Y HA -0.244 4.307 4.550 0.002 0.000 0.284 582 Y C 1.962 177.922 175.900 0.100 0.000 1.154 582 Y CA 1.612 59.767 58.100 0.093 0.000 1.149 582 Y CB -0.052 38.449 38.460 0.069 0.000 0.976 582 Y HN -0.038 nan 8.280 nan 0.000 0.505 583 I N -0.994 119.707 120.570 0.218 0.000 2.394 583 I HA -0.330 3.841 4.170 0.002 0.000 0.251 583 I C 2.508 178.639 176.117 0.023 0.000 1.136 583 I CA 1.521 62.883 61.300 0.102 0.000 1.425 583 I CB -0.576 37.469 38.000 0.074 0.000 1.079 583 I HN 0.372 nan 8.210 nan 0.000 0.425 584 H N 0.775 119.830 119.070 -0.025 0.000 2.395 584 H HA -0.184 4.373 4.556 0.002 0.000 0.299 584 H C 1.836 177.194 175.328 0.050 0.000 1.070 584 H CA 1.730 57.763 56.048 -0.026 0.000 1.356 584 H CB 0.026 29.776 29.762 -0.020 0.000 1.401 584 H HN 0.371 nan 8.280 nan 0.000 0.524 585 D N 0.560 121.031 120.400 0.117 0.000 2.077 585 D HA -0.150 4.491 4.640 0.002 0.000 0.193 585 D C 2.119 178.395 176.300 -0.041 0.000 0.989 585 D CA 0.774 54.805 54.000 0.051 0.000 0.831 585 D CB 0.048 40.864 40.800 0.027 0.000 0.979 585 D HN 0.259 nan 8.370 nan 0.000 0.449 586 L N 0.800 121.950 121.223 -0.122 0.000 2.447 586 L HA -0.121 4.220 4.340 0.002 0.000 0.225 586 L C 2.263 179.095 176.870 -0.063 0.000 1.148 586 L CA 0.931 55.681 54.840 -0.149 0.000 0.808 586 L CB -0.904 41.025 42.059 -0.217 0.000 0.928 586 L HN 0.276 nan 8.230 nan 0.000 0.448 587 H N -0.313 118.656 119.070 -0.167 0.000 2.269 587 H HA -0.164 4.393 4.556 0.002 0.000 0.299 587 H C 2.441 177.663 175.328 -0.177 0.000 1.058 587 H CA 1.723 57.658 56.048 -0.188 0.000 1.246 587 H CB 0.253 29.843 29.762 -0.287 0.000 1.376 587 H HN 0.125 nan 8.280 nan 0.000 0.503 588 R N 0.860 121.299 120.500 -0.101 0.000 2.117 588 R HA -0.192 4.149 4.340 0.002 0.000 0.243 588 R C 2.447 178.705 176.300 -0.069 0.000 1.143 588 R CA 1.824 57.868 56.100 -0.092 0.000 0.968 588 R CB -0.231 30.049 30.300 -0.034 0.000 0.863 588 R HN 0.203 nan 8.270 nan 0.000 0.444 589 R N 0.187 120.642 120.500 -0.076 0.000 2.371 589 R HA -0.127 4.214 4.340 0.002 0.000 0.226 589 R C 0.763 177.008 176.300 -0.092 0.000 1.132 589 R CA 1.489 57.529 56.100 -0.100 0.000 1.027 589 R CB -0.119 30.072 30.300 -0.182 0.000 0.848 589 R HN 0.325 nan 8.270 nan 0.000 0.479 590 I N 0.016 120.535 120.570 -0.086 0.000 3.817 590 I HA 0.102 4.273 4.170 0.002 0.000 0.322 590 I C 0.602 176.726 176.117 0.012 0.000 1.512 590 I CA -0.157 61.123 61.300 -0.034 0.000 1.066 590 I CB 0.748 38.645 38.000 -0.172 0.000 1.336 590 I HN 0.055 nan 8.210 nan 0.000 0.539 591 Q N 1.501 121.277 119.800 -0.040 0.000 2.096 591 Q HA -0.153 4.188 4.340 0.002 0.000 0.208 591 Q C -0.584 175.454 176.000 0.062 0.000 0.993 591 Q CA 2.094 57.863 55.803 -0.056 0.000 0.862 591 Q CB -1.432 27.290 28.738 -0.026 0.000 0.915 591 Q HN 0.376 nan 8.270 nan 0.000 0.416 592 P HA -0.144 nan 4.420 nan 0.000 0.221 592 P C 0.623 178.046 177.300 0.204 0.000 1.145 592 P CA 1.223 64.412 63.100 0.147 0.000 0.795 592 P CB -0.290 31.449 31.700 0.066 0.000 0.775 593 F N -1.272 118.789 119.950 0.185 0.000 2.641 593 F HA 0.260 4.788 4.527 0.002 0.000 0.302 593 F C 1.058 177.084 175.800 0.378 0.000 1.098 593 F CA -0.562 57.620 58.000 0.303 0.000 1.318 593 F CB 0.247 39.325 39.000 0.131 0.000 1.035 593 F HN -0.168 nan 8.300 nan 0.000 0.551 594 I N 0.956 121.688 120.570 0.271 0.000 2.509 594 I HA 0.511 4.682 4.170 0.002 0.000 0.293 594 I C -1.552 174.260 176.117 -0.508 0.000 1.020 594 I CA -1.375 59.878 61.300 -0.079 0.000 1.088 594 I CB 1.632 39.518 38.000 -0.190 0.000 1.267 594 I HN -0.161 nan 8.210 nan 0.000 0.430 595 L N 8.072 128.917 121.223 -0.629 0.000 2.343 595 L HA 0.652 4.993 4.340 0.002 0.000 0.278 595 L C -1.018 175.663 176.870 -0.316 0.000 0.996 595 L CA -0.327 54.097 54.840 -0.694 0.000 0.831 595 L CB 0.884 42.328 42.059 -1.025 0.000 1.232 595 L HN 0.734 nan 8.230 nan 0.000 0.413 596 R N 4.958 125.324 120.500 -0.223 0.000 2.510 596 R HA 0.692 5.033 4.340 0.002 0.000 0.294 596 R C -1.316 174.869 176.300 -0.193 0.000 1.056 596 R CA -0.524 55.488 56.100 -0.146 0.000 0.918 596 R CB 1.116 31.403 30.300 -0.022 0.000 1.187 596 R HN 0.755 nan 8.270 nan 0.000 0.437 597 R N 4.256 124.637 120.500 -0.199 0.000 2.795 597 R HA 0.606 4.947 4.340 0.002 0.000 0.275 597 R C -1.038 175.125 176.300 -0.228 0.000 0.981 597 R CA -1.007 54.958 56.100 -0.225 0.000 0.917 597 R CB 1.935 32.078 30.300 -0.260 0.000 1.202 597 R HN 0.303 nan 8.270 nan 0.000 0.469 598 L N 1.224 122.312 121.223 -0.225 0.000 2.388 598 L HA 0.394 4.735 4.340 0.002 0.000 0.264 598 L C 0.982 177.730 176.870 -0.204 0.000 0.998 598 L CA -1.129 53.591 54.840 -0.200 0.000 0.817 598 L CB 2.137 44.101 42.059 -0.158 0.000 1.338 598 L HN 0.665 nan 8.230 nan 0.000 0.414 599 K N 1.559 121.851 120.400 -0.180 0.000 2.528 599 K HA -0.391 3.930 4.320 0.002 0.000 0.204 599 K C 1.335 177.857 176.600 -0.130 0.000 0.852 599 K CA 2.864 59.067 56.287 -0.139 0.000 0.955 599 K CB -0.954 31.495 32.500 -0.084 0.000 1.245 599 K HN 0.736 nan 8.250 nan 0.000 0.546 600 K N 0.376 120.711 120.400 -0.109 0.000 2.147 600 K HA -0.110 4.211 4.320 0.002 0.000 0.205 600 K C 1.346 177.884 176.600 -0.104 0.000 1.049 600 K CA 1.781 58.017 56.287 -0.086 0.000 0.936 600 K CB -0.111 32.346 32.500 -0.072 0.000 0.722 600 K HN 0.287 nan 8.250 nan 0.000 0.446 601 D N 1.337 121.649 120.400 -0.147 0.000 2.317 601 D HA -0.074 4.567 4.640 0.002 0.000 0.211 601 D C 1.541 177.732 176.300 -0.182 0.000 0.966 601 D CA 1.269 55.175 54.000 -0.157 0.000 0.876 601 D CB 0.482 41.172 40.800 -0.185 0.000 0.927 601 D HN 0.337 nan 8.370 nan 0.000 0.519 602 V N -2.196 117.576 119.914 -0.237 0.000 3.159 602 V HA 0.218 4.339 4.120 0.002 0.000 0.333 602 V C 1.547 177.572 176.094 -0.115 0.000 1.424 602 V CA -0.314 61.832 62.300 -0.256 0.000 1.125 602 V CB 0.419 31.823 31.823 -0.697 0.000 1.075 602 V HN -0.120 nan 8.190 nan 0.000 0.482 603 E N 1.288 121.440 120.200 -0.079 0.000 2.118 603 E HA -0.236 4.115 4.350 0.002 0.000 0.195 603 E C 1.799 178.400 176.600 0.002 0.000 0.992 603 E CA 1.412 57.797 56.400 -0.025 0.000 0.804 603 E CB 0.071 29.764 29.700 -0.013 0.000 0.741 603 E HN 0.558 nan 8.360 nan 0.000 0.458 604 K N 0.145 120.543 120.400 -0.003 0.000 2.147 604 K HA -0.066 4.255 4.320 0.002 0.000 0.205 604 K C 2.222 178.848 176.600 0.043 0.000 1.049 604 K CA 0.925 57.222 56.287 0.016 0.000 0.936 604 K CB -0.186 32.319 32.500 0.008 0.000 0.722 604 K HN 0.015 nan 8.250 nan 0.000 0.446 605 S N 0.059 115.800 115.700 0.069 0.000 2.470 605 S HA 0.130 4.601 4.470 0.002 0.000 0.225 605 S C 0.803 175.483 174.600 0.132 0.000 1.006 605 S CA 0.243 58.536 58.200 0.154 0.000 0.934 605 S CB 0.272 63.705 63.200 0.387 0.000 0.778 605 S HN 0.077 nan 8.310 nan 0.000 0.517 606 L N 1.402 122.669 121.223 0.073 0.000 2.309 606 L HA 0.429 4.770 4.340 0.002 0.000 0.261 606 L C -2.383 174.485 176.870 -0.003 0.000 1.021 606 L CA -2.558 52.309 54.840 0.046 0.000 0.823 606 L CB 1.511 43.596 42.059 0.045 0.000 1.366 606 L HN -0.165 nan 8.230 nan 0.000 0.423 607 P HA 0.034 nan 4.420 nan 0.000 0.258 607 P C -0.483 176.730 177.300 -0.144 0.000 1.563 607 P CA -0.062 62.958 63.100 -0.134 0.000 1.241 607 P CB -0.143 31.397 31.700 -0.267 0.000 1.811 608 S N 3.079 118.768 115.700 -0.018 0.000 2.559 608 S HA 0.119 4.590 4.470 0.002 0.000 0.282 608 S C 0.667 175.177 174.600 -0.149 0.000 1.336 608 S CA 0.013 58.232 58.200 0.033 0.000 1.037 608 S CB 0.323 63.623 63.200 0.166 0.000 0.853 608 S HN 0.548 nan 8.310 nan 0.000 0.523 609 K N -0.563 119.785 120.400 -0.086 0.000 2.137 609 K HA 0.783 5.104 4.320 0.002 0.000 0.251 609 K C -0.989 175.544 176.600 -0.111 0.000 1.048 609 K CA -0.945 55.178 56.287 -0.274 0.000 0.873 609 K CB 1.528 34.037 32.500 0.015 0.000 1.442 609 K HN 0.438 nan 8.250 nan 0.000 0.467 610 T N 0.045 114.544 114.554 -0.091 0.000 3.755 610 T HA 0.155 4.506 4.350 0.002 0.000 0.327 610 T C -1.787 172.878 174.700 -0.057 0.000 0.801 610 T CA -0.509 61.599 62.100 0.013 0.000 1.026 610 T CB 0.492 69.472 68.868 0.186 0.000 1.040 610 T HN 0.556 nan 8.240 nan 0.000 0.470 611 E N 4.140 124.321 120.200 -0.032 0.000 2.044 611 E HA 0.313 4.664 4.350 0.002 0.000 0.282 611 E C -0.058 176.553 176.600 0.018 0.000 1.031 611 E CA -0.590 55.790 56.400 -0.033 0.000 0.824 611 E CB 0.620 30.319 29.700 -0.002 0.000 1.076 611 E HN 0.391 nan 8.360 nan 0.000 0.395 612 R N 3.253 123.764 120.500 0.019 0.000 2.514 612 R HA 0.480 4.821 4.340 0.002 0.000 0.301 612 R C -0.150 176.221 176.300 0.119 0.000 0.962 612 R CA -0.823 55.346 56.100 0.115 0.000 0.882 612 R CB 1.406 31.847 30.300 0.235 0.000 1.143 612 R HN 0.473 nan 8.270 nan 0.000 0.452 613 I N 4.756 125.381 120.570 0.092 0.000 2.330 613 I HA 0.276 4.447 4.170 0.002 0.000 0.286 613 I C 0.102 176.252 176.117 0.057 0.000 1.025 613 I CA -0.441 60.892 61.300 0.054 0.000 1.197 613 I CB 0.714 38.738 38.000 0.040 0.000 1.358 613 I HN 0.203 nan 8.210 nan 0.000 0.467 614 L N 6.824 128.072 121.223 0.042 0.000 2.276 614 L HA 0.574 4.915 4.340 0.002 0.000 0.286 614 L C -0.011 176.845 176.870 -0.024 0.000 1.061 614 L CA -0.674 54.167 54.840 0.002 0.000 0.807 614 L CB 0.416 42.446 42.059 -0.048 0.000 1.177 614 L HN 0.595 nan 8.230 nan 0.000 0.429 615 R N 3.365 123.858 120.500 -0.013 0.000 2.393 615 R HA 0.694 5.035 4.340 0.002 0.000 0.315 615 R C -0.952 175.335 176.300 -0.022 0.000 0.952 615 R CA -0.726 55.363 56.100 -0.018 0.000 0.842 615 R CB 2.033 32.336 30.300 0.004 0.000 1.163 615 R HN 0.354 nan 8.270 nan 0.000 0.450 616 V N 1.765 121.653 119.914 -0.044 0.000 2.994 616 V HA 0.281 4.402 4.120 0.002 0.000 0.318 616 V C 0.304 176.387 176.094 -0.018 0.000 1.085 616 V CA -1.133 61.144 62.300 -0.038 0.000 0.998 616 V CB 2.023 33.803 31.823 -0.071 0.000 1.063 616 V HN 0.610 nan 8.190 nan 0.000 0.447 617 E N 1.044 121.243 120.200 -0.002 0.000 2.392 617 E HA 0.382 4.733 4.350 0.002 0.000 0.256 617 E C -0.634 175.958 176.600 -0.013 0.000 1.145 617 E CA -0.082 56.331 56.400 0.021 0.000 0.929 617 E CB 0.397 30.104 29.700 0.012 0.000 0.998 617 E HN 0.445 nan 8.360 nan 0.000 0.442 618 L N 1.454 122.674 121.223 -0.005 0.000 2.350 618 L HA 0.240 4.581 4.340 0.002 0.000 0.275 618 L C 0.361 177.224 176.870 -0.011 0.000 1.099 618 L CA -0.656 54.170 54.840 -0.024 0.000 0.808 618 L CB 1.060 43.089 42.059 -0.049 0.000 1.149 618 L HN 0.563 nan 8.230 nan 0.000 0.442 619 S N -0.109 115.581 115.700 -0.017 0.000 2.573 619 S HA -0.037 4.434 4.470 0.002 0.000 0.277 619 S C 0.943 175.557 174.600 0.023 0.000 1.346 619 S CA -0.290 57.904 58.200 -0.011 0.000 1.034 619 S CB 0.751 63.934 63.200 -0.029 0.000 0.879 619 S HN 0.763 nan 8.310 nan 0.000 0.528 620 D N 2.016 122.428 120.400 0.020 0.000 2.172 620 D HA -0.189 4.452 4.640 0.002 0.000 0.196 620 D C 1.638 177.986 176.300 0.080 0.000 0.999 620 D CA 1.489 55.511 54.000 0.036 0.000 0.856 620 D CB -1.077 39.738 40.800 0.025 0.000 0.934 620 D HN 0.349 nan 8.370 nan 0.000 0.453 621 V N 1.077 121.055 119.914 0.106 0.000 2.216 621 V HA -0.298 3.823 4.120 0.002 0.000 0.242 621 V C 2.847 179.101 176.094 0.267 0.000 1.042 621 V CA 2.180 64.598 62.300 0.196 0.000 0.991 621 V CB -0.949 30.996 31.823 0.203 0.000 0.633 621 V HN 0.207 nan 8.190 nan 0.000 0.449 622 Q N -0.129 119.790 119.800 0.197 0.000 2.065 622 Q HA -0.320 4.021 4.340 0.002 0.000 0.213 622 Q C 2.189 178.342 176.000 0.255 0.000 1.012 622 Q CA 2.756 58.689 55.803 0.218 0.000 0.876 622 Q CB -0.972 27.825 28.738 0.098 0.000 0.954 622 Q HN 0.709 nan 8.270 nan 0.000 0.413 623 T N 0.991 115.633 114.554 0.145 0.000 2.531 623 T HA -0.267 4.084 4.350 0.002 0.000 0.261 623 T C 1.711 176.527 174.700 0.193 0.000 1.141 623 T CA 1.951 64.124 62.100 0.122 0.000 1.176 623 T CB -0.467 68.452 68.868 0.085 0.000 0.863 623 T HN 0.301 nan 8.240 nan 0.000 0.424 624 E N -0.219 120.075 120.200 0.156 0.000 2.130 624 E HA -0.106 4.245 4.350 0.002 0.000 0.196 624 E C 1.893 178.553 176.600 0.099 0.000 0.998 624 E CA 1.233 57.695 56.400 0.103 0.000 0.806 624 E CB -0.432 29.294 29.700 0.042 0.000 0.738 624 E HN 0.646 nan 8.360 nan 0.000 0.459 625 Y N -1.017 119.346 120.300 0.105 0.000 2.070 625 Y HA -0.299 4.252 4.550 0.002 0.000 0.280 625 Y C 2.119 178.085 175.900 0.110 0.000 1.148 625 Y CA 2.097 60.236 58.100 0.065 0.000 1.125 625 Y CB -0.679 37.838 38.460 0.094 0.000 0.975 625 Y HN 0.159 nan 8.280 nan 0.000 0.492 626 Y N 0.577 121.020 120.300 0.238 0.000 1.977 626 Y HA -0.462 4.089 4.550 0.002 0.000 0.264 626 Y C 2.704 178.668 175.900 0.106 0.000 1.167 626 Y CA 2.499 60.700 58.100 0.167 0.000 1.102 626 Y CB -0.474 38.077 38.460 0.151 0.000 0.948 626 Y HN 0.010 nan 8.280 nan 0.000 0.489 627 K N 0.530 121.145 120.400 0.358 0.000 2.127 627 K HA -0.225 4.096 4.320 0.002 0.000 0.208 627 K C 1.625 178.286 176.600 0.102 0.000 1.047 627 K CA 2.072 58.493 56.287 0.223 0.000 0.927 627 K CB -0.299 32.309 32.500 0.180 0.000 0.716 627 K HN 0.388 nan 8.250 nan 0.000 0.450 628 N N 0.149 118.878 118.700 0.049 0.000 2.216 628 N HA -0.081 4.660 4.740 0.002 0.000 0.183 628 N C 1.776 177.273 175.510 -0.022 0.000 1.017 628 N CA 1.438 54.477 53.050 -0.018 0.000 0.861 628 N CB -0.074 38.353 38.487 -0.101 0.000 0.986 628 N HN 0.269 nan 8.380 nan 0.000 0.428 629 I N 1.485 122.044 120.570 -0.018 0.000 2.286 629 I HA -0.219 3.952 4.170 0.002 0.000 0.248 629 I C 2.210 178.308 176.117 -0.032 0.000 1.115 629 I CA 0.730 62.008 61.300 -0.036 0.000 1.392 629 I CB -0.320 37.653 38.000 -0.044 0.000 1.065 629 I HN 0.055 nan 8.210 nan 0.000 0.418 630 L N 0.377 121.583 121.223 -0.029 0.000 1.956 630 L HA -0.243 4.098 4.340 0.002 0.000 0.216 630 L C 2.751 179.626 176.870 0.009 0.000 1.073 630 L CA 2.165 56.998 54.840 -0.012 0.000 0.762 630 L CB -1.630 40.448 42.059 0.032 0.000 0.889 630 L HN 0.293 nan 8.230 nan 0.000 0.433 631 T N -0.131 114.434 114.554 0.019 0.000 2.594 631 T HA -0.262 4.089 4.350 0.002 0.000 0.266 631 T C 1.860 176.568 174.700 0.014 0.000 1.070 631 T CA 1.635 63.747 62.100 0.019 0.000 1.166 631 T CB -0.354 68.521 68.868 0.013 0.000 0.862 631 T HN 0.190 nan 8.240 nan 0.000 0.436 632 K N 1.929 122.331 120.400 0.003 0.000 2.107 632 K HA -0.051 4.270 4.320 0.002 0.000 0.211 632 K C 1.403 178.011 176.600 0.013 0.000 1.049 632 K CA 1.231 57.519 56.287 0.002 0.000 0.927 632 K CB -0.635 31.860 32.500 -0.008 0.000 0.714 632 K HN 0.632 nan 8.250 nan 0.000 0.452 633 N N -0.678 118.035 118.700 0.022 0.000 2.818 633 N HA 0.006 4.747 4.740 0.002 0.000 0.312 633 N C -0.216 175.348 175.510 0.089 0.000 1.368 633 N CA -0.763 52.307 53.050 0.033 0.000 0.817 633 N CB -0.157 38.346 38.487 0.026 0.000 1.116 633 N HN -0.021 nan 8.380 nan 0.000 0.519 634 Y N 1.512 121.786 120.300 -0.045 0.000 2.902 634 Y HA -0.307 4.244 4.550 0.002 0.000 0.196 634 Y C -0.802 175.073 175.900 -0.040 0.000 1.505 634 Y CA -0.084 57.985 58.100 -0.051 0.000 1.007 634 Y CB -0.766 37.646 38.460 -0.080 0.000 1.550 634 Y HN 0.252 nan 8.280 nan 0.000 0.326 647 S N 0.702 116.498 115.700 0.161 0.000 2.370 647 S HA -0.164 4.307 4.470 0.002 0.000 0.226 647 S C 2.023 176.666 174.600 0.072 0.000 1.033 647 S CA 2.045 60.281 58.200 0.060 0.000 1.011 647 S CB -0.297 62.909 63.200 0.011 0.000 0.852 647 S HN 0.287 nan 8.310 nan 0.000 0.457 648 L N 1.540 122.812 121.223 0.081 0.000 2.198 648 L HA -0.214 4.127 4.340 0.002 0.000 0.218 648 L C 2.263 179.187 176.870 0.090 0.000 1.084 648 L CA 1.545 56.430 54.840 0.074 0.000 0.779 648 L CB -1.101 41.001 42.059 0.072 0.000 0.890 648 L HN 0.340 nan 8.230 nan 0.000 0.439 649 L N 0.056 121.357 121.223 0.130 0.000 1.971 649 L HA -0.281 4.060 4.340 0.002 0.000 0.215 649 L C 2.483 179.395 176.870 0.070 0.000 1.072 649 L CA 1.905 56.815 54.840 0.117 0.000 0.758 649 L CB -0.409 41.730 42.059 0.134 0.000 0.889 649 L HN 0.557 nan 8.230 nan 0.000 0.433 650 N N 0.079 118.807 118.700 0.047 0.000 2.289 650 N HA -0.191 4.550 4.740 0.002 0.000 0.184 650 N C 1.638 177.189 175.510 0.067 0.000 1.016 650 N CA 1.330 54.411 53.050 0.052 0.000 0.872 650 N CB -0.513 38.004 38.487 0.049 0.000 0.973 650 N HN 0.293 nan 8.380 nan 0.000 0.433 651 I N 1.349 121.953 120.570 0.056 0.000 2.127 651 I HA -0.202 3.969 4.170 0.002 0.000 0.241 651 I C 2.523 178.665 176.117 0.041 0.000 1.075 651 I CA 0.876 62.203 61.300 0.045 0.000 1.334 651 I CB -0.899 37.122 38.000 0.034 0.000 1.040 651 I HN 0.030 nan 8.210 nan 0.000 0.405 652 M N 0.894 120.525 119.600 0.052 0.000 2.110 652 M HA -0.271 4.210 4.480 0.002 0.000 0.257 652 M C 2.124 178.464 176.300 0.068 0.000 1.071 652 M CA 1.865 57.200 55.300 0.058 0.000 1.096 652 M CB -0.938 31.708 32.600 0.077 0.000 1.300 652 M HN 0.254 nan 8.290 nan 0.000 0.411 653 N N 0.084 118.828 118.700 0.072 0.000 2.060 653 N HA -0.204 4.537 4.740 0.002 0.000 0.195 653 N C 1.553 177.122 175.510 0.097 0.000 1.028 653 N CA 1.895 54.989 53.050 0.073 0.000 0.861 653 N CB -0.373 38.150 38.487 0.061 0.000 1.029 653 N HN 0.480 nan 8.380 nan 0.000 0.428 654 E N 0.955 121.239 120.200 0.140 0.000 2.058 654 E HA -0.151 4.200 4.350 0.002 0.000 0.194 654 E C 2.362 179.120 176.600 0.263 0.000 0.997 654 E CA 0.665 57.232 56.400 0.277 0.000 0.801 654 E CB -0.464 29.392 29.700 0.260 0.000 0.746 654 E HN 0.387 nan 8.360 nan 0.000 0.450 655 L N 1.009 122.289 121.223 0.094 0.000 1.994 655 L HA -0.190 4.151 4.340 0.002 0.000 0.208 655 L C 2.505 179.472 176.870 0.161 0.000 1.071 655 L CA 1.458 56.304 54.840 0.010 0.000 0.745 655 L CB -0.417 41.540 42.059 -0.169 0.000 0.892 655 L HN 0.024 nan 8.230 nan 0.000 0.431 656 K N 0.200 120.677 120.400 0.128 0.000 2.034 656 K HA -0.274 4.047 4.320 0.002 0.000 0.214 656 K C 2.121 178.795 176.600 0.124 0.000 1.051 656 K CA 1.867 58.231 56.287 0.130 0.000 0.931 656 K CB -0.272 32.286 32.500 0.097 0.000 0.715 656 K HN 0.247 nan 8.250 nan 0.000 0.446 657 K N 0.543 120.986 120.400 0.072 0.000 1.978 657 K HA -0.180 4.141 4.320 0.002 0.000 0.214 657 K C 2.299 178.927 176.600 0.047 0.000 1.049 657 K CA 1.513 57.763 56.287 -0.062 0.000 0.939 657 K CB -0.429 31.843 32.500 -0.380 0.000 0.721 657 K HN 0.191 nan 8.250 nan 0.000 0.441 658 A N 1.172 124.155 122.820 0.270 0.000 1.954 658 A HA -0.291 4.030 4.320 0.002 0.000 0.222 658 A C 2.220 179.982 177.584 0.297 0.000 1.199 658 A CA 2.551 54.846 52.037 0.429 0.000 0.657 658 A CB -0.879 18.454 19.000 0.555 0.000 0.823 658 A HN 0.300 nan 8.150 nan 0.000 0.463 659 S N -0.478 115.390 115.700 0.280 0.000 2.406 659 S HA -0.106 4.365 4.470 0.002 0.000 0.228 659 S C 1.703 176.367 174.600 0.107 0.000 1.020 659 S CA 1.286 59.601 58.200 0.192 0.000 0.965 659 S CB -0.444 62.877 63.200 0.202 0.000 0.798 659 S HN 0.792 nan 8.310 nan 0.000 0.488 660 N N -0.268 118.519 118.700 0.145 0.000 2.124 660 N HA 0.004 4.745 4.740 0.002 0.000 0.188 660 N C 0.477 176.149 175.510 0.271 0.000 1.045 660 N CA 0.847 54.032 53.050 0.224 0.000 0.846 660 N CB 0.167 38.852 38.487 0.329 0.000 1.020 660 N HN 0.219 nan 8.380 nan 0.000 0.432 661 H N -1.492 117.637 119.070 0.098 0.000 3.123 661 H HA 0.156 4.713 4.556 0.002 0.000 0.346 661 H C -2.407 172.932 175.328 0.017 0.000 1.138 661 H CA -1.468 54.611 56.048 0.051 0.000 1.273 661 H CB 2.049 31.828 29.762 0.028 0.000 1.926 661 H HN -0.094 nan 8.280 nan 0.000 0.524 662 P HA -0.090 nan 4.420 nan 0.000 0.220 662 P C 1.039 178.567 177.300 0.379 0.000 1.148 662 P CA 0.878 64.077 63.100 0.164 0.000 0.803 662 P CB 0.084 31.823 31.700 0.065 0.000 0.782 663 Y N -0.411 120.137 120.300 0.414 0.000 2.403 663 Y HA -0.076 4.475 4.550 0.002 0.000 0.291 663 Y C 2.141 178.013 175.900 -0.046 0.000 1.143 663 Y CA 0.096 58.261 58.100 0.109 0.000 1.257 663 Y CB -1.520 36.870 38.460 -0.117 0.000 0.984 663 Y HN -0.073 nan 8.280 nan 0.000 0.550 664 L N -1.607 119.621 121.223 0.007 0.000 2.129 664 L HA -0.216 4.125 4.340 0.002 0.000 0.212 664 L C 0.506 177.213 176.870 -0.273 0.000 1.087 664 L CA 0.720 55.428 54.840 -0.221 0.000 0.757 664 L CB -0.568 41.245 42.059 -0.409 0.000 0.896 664 L HN -0.019 nan 8.230 nan 0.000 0.434 665 F N -0.106 119.845 119.950 0.002 0.000 2.378 665 F HA 0.059 4.587 4.527 0.002 0.000 0.319 665 F C 1.430 177.232 175.800 0.003 0.000 1.155 665 F CA -0.513 57.484 58.000 -0.005 0.000 1.157 665 F CB 0.296 39.256 39.000 -0.066 0.000 1.252 665 F HN -0.191 nan 8.300 nan 0.000 0.550 666 D N -0.166 120.409 120.400 0.292 0.000 2.091 666 D HA -0.123 4.518 4.640 0.002 0.000 0.199 666 D C 1.618 177.973 176.300 0.091 0.000 0.980 666 D CA 1.454 55.537 54.000 0.138 0.000 0.831 666 D CB -0.058 40.810 40.800 0.114 0.000 0.987 666 D HN 0.464 nan 8.370 nan 0.000 0.460 667 N N 0.156 118.934 118.700 0.130 0.000 2.395 667 N HA 0.040 4.781 4.740 0.002 0.000 0.175 667 N C 1.547 177.101 175.510 0.074 0.000 1.029 667 N CA 0.547 53.646 53.050 0.082 0.000 0.897 667 N CB 0.520 39.054 38.487 0.078 0.000 0.991 667 N HN 0.022 nan 8.380 nan 0.000 0.441 668 A N 2.337 125.258 122.820 0.168 0.000 2.557 668 A HA -0.416 3.905 4.320 0.002 0.000 0.260 668 A C 1.803 179.350 177.584 -0.061 0.000 2.292 668 A CA 2.516 54.629 52.037 0.125 0.000 1.035 668 A CB -1.562 17.484 19.000 0.077 0.000 0.477 668 A HN 0.497 nan 8.150 nan 0.000 0.426 669 E N -1.402 118.507 120.200 -0.485 0.000 2.068 669 E HA -0.300 4.051 4.350 0.002 0.000 0.207 669 E C 2.122 178.625 176.600 -0.162 0.000 1.032 669 E CA 1.769 57.791 56.400 -0.631 0.000 0.839 669 E CB -0.255 28.902 29.700 -0.904 0.000 0.758 669 E HN 0.629 nan 8.360 nan 0.000 0.457 670 E N -0.006 120.122 120.200 -0.121 0.000 2.114 670 E HA -0.274 4.077 4.350 0.002 0.000 0.199 670 E C 2.218 178.823 176.600 0.009 0.000 1.008 670 E CA 1.526 57.900 56.400 -0.043 0.000 0.810 670 E CB -0.039 29.638 29.700 -0.037 0.000 0.739 670 E HN 0.269 nan 8.360 nan 0.000 0.456 671 R N -0.318 120.205 120.500 0.038 0.000 2.062 671 R HA -0.080 4.261 4.340 0.002 0.000 0.229 671 R C 2.563 178.922 176.300 0.098 0.000 1.128 671 R CA 1.136 57.280 56.100 0.074 0.000 0.960 671 R CB -0.278 30.086 30.300 0.107 0.000 0.855 671 R HN 0.034 nan 8.270 nan 0.000 0.432 672 V N 2.667 122.662 119.914 0.135 0.000 2.215 672 V HA -0.243 3.878 4.120 0.002 0.000 0.249 672 V C 1.518 177.693 176.094 0.135 0.000 1.054 672 V CA 1.661 64.067 62.300 0.175 0.000 1.012 672 V CB -0.755 31.235 31.823 0.278 0.000 0.639 672 V HN 0.308 nan 8.190 nan 0.000 0.448 673 L N 1.240 122.539 121.223 0.125 0.000 2.376 673 L HA 0.245 4.586 4.340 0.002 0.000 0.250 673 L C 0.282 177.211 176.870 0.098 0.000 1.335 673 L CA 0.089 54.997 54.840 0.114 0.000 1.214 673 L CB -0.655 41.476 42.059 0.119 0.000 1.395 673 L HN 0.262 nan 8.230 nan 0.000 0.424 674 Q N 4.925 124.781 119.800 0.092 0.000 3.181 674 Q HA 0.129 4.470 4.340 0.002 0.000 0.293 674 Q C 0.053 176.108 176.000 0.093 0.000 1.406 674 Q CA 0.171 56.027 55.803 0.088 0.000 1.026 674 Q CB 0.227 29.006 28.738 0.069 0.000 1.630 674 Q HN 0.637 nan 8.270 nan 0.000 0.553 675 K N -0.003 120.467 120.400 0.117 0.000 3.335 675 K HA 0.107 4.428 4.320 0.002 0.000 0.179 675 K C -0.656 176.033 176.600 0.149 0.000 1.179 675 K CA -0.548 55.802 56.287 0.104 0.000 0.763 675 K CB -0.751 31.793 32.500 0.074 0.000 1.022 675 K HN 0.030 nan 8.250 nan 0.000 0.560 682 T N 2.284 116.926 114.554 0.147 0.000 2.622 682 T HA -0.169 4.182 4.350 0.002 0.000 0.250 682 T C 0.900 175.643 174.700 0.073 0.000 0.999 682 T CA 1.862 64.013 62.100 0.085 0.000 1.179 682 T CB 0.402 69.307 68.868 0.063 0.000 1.043 682 T HN 0.897 nan 8.240 nan 0.000 0.438 683 R N 1.479 122.009 120.500 0.049 0.000 2.221 683 R HA 0.164 4.505 4.340 0.002 0.000 0.195 683 R C 2.437 178.753 176.300 0.026 0.000 0.956 683 R CA 0.551 56.673 56.100 0.037 0.000 1.064 683 R CB -0.156 30.159 30.300 0.025 0.000 1.049 683 R HN 0.901 nan 8.270 nan 0.000 0.534 684 E N 0.972 121.184 120.200 0.021 0.000 2.038 684 E HA -0.276 4.075 4.350 0.002 0.000 0.195 684 E C 1.372 177.989 176.600 0.028 0.000 1.000 684 E CA 1.366 57.774 56.400 0.013 0.000 0.803 684 E CB -0.203 29.504 29.700 0.011 0.000 0.750 684 E HN 0.336 nan 8.360 nan 0.000 0.448 685 N N -0.001 118.725 118.700 0.043 0.000 2.192 685 N HA -0.161 4.580 4.740 0.002 0.000 0.188 685 N C 1.964 177.523 175.510 0.081 0.000 1.013 685 N CA 1.250 54.337 53.050 0.062 0.000 0.863 685 N CB 0.074 38.605 38.487 0.072 0.000 0.990 685 N HN 0.079 nan 8.380 nan 0.000 0.430 686 V N 1.379 121.341 119.914 0.080 0.000 2.490 686 V HA -0.189 3.932 4.120 0.002 0.000 0.250 686 V C 2.256 178.416 176.094 0.111 0.000 1.061 686 V CA 1.056 63.419 62.300 0.105 0.000 1.064 686 V CB -0.256 31.618 31.823 0.085 0.000 0.670 686 V HN 0.298 nan 8.190 nan 0.000 0.461 687 L N -0.630 120.628 121.223 0.060 0.000 2.034 687 L HA -0.033 4.308 4.340 0.002 0.000 0.203 687 L C 2.755 179.665 176.870 0.067 0.000 1.074 687 L CA 1.361 56.225 54.840 0.041 0.000 0.748 687 L CB -0.457 41.581 42.059 -0.035 0.000 0.905 687 L HN 0.087 nan 8.230 nan 0.000 0.439 688 R N 0.044 120.577 120.500 0.055 0.000 2.208 688 R HA -0.225 4.116 4.340 0.002 0.000 0.262 688 R C 1.880 178.222 176.300 0.071 0.000 1.166 688 R CA 1.642 57.775 56.100 0.056 0.000 0.987 688 R CB -1.376 28.954 30.300 0.051 0.000 0.887 688 R HN 0.634 nan 8.270 nan 0.000 0.459 689 G N -0.305 108.556 108.800 0.102 0.000 2.608 689 G HA2 -0.070 3.891 3.960 0.002 0.000 0.210 689 G HA3 -0.070 3.891 3.960 0.002 0.000 0.210 689 G C 1.487 176.440 174.900 0.088 0.000 1.139 689 G CA 0.003 45.178 45.100 0.126 0.000 0.812 689 G HN 0.275 nan 8.290 nan 0.000 0.529 690 L N 0.774 122.049 121.223 0.087 0.000 2.083 690 L HA 0.023 4.364 4.340 0.002 0.000 0.209 690 L C 2.510 179.372 176.870 -0.013 0.000 1.083 690 L CA 1.764 56.553 54.840 -0.085 0.000 0.752 690 L CB -0.154 41.946 42.059 0.069 0.000 0.899 690 L HN 0.276 nan 8.230 nan 0.000 0.433 691 I N -0.979 119.633 120.570 0.070 0.000 2.235 691 I HA -0.164 4.007 4.170 0.002 0.000 0.241 691 I C 1.983 178.100 176.117 0.001 0.000 1.085 691 I CA 1.616 62.971 61.300 0.092 0.000 1.378 691 I CB -0.277 37.821 38.000 0.163 0.000 1.076 691 I HN 0.144 nan 8.210 nan 0.000 0.415 692 M N 0.875 120.475 119.600 -0.001 0.000 2.558 692 M HA 0.079 4.560 4.480 0.002 0.000 0.255 692 M C 1.958 178.231 176.300 -0.045 0.000 1.113 692 M CA 1.027 56.319 55.300 -0.014 0.000 1.097 692 M CB -0.931 31.677 32.600 0.013 0.000 1.426 692 M HN 0.577 nan 8.290 nan 0.000 0.488 693 S N -1.214 114.435 115.700 -0.084 0.000 2.650 693 S HA 0.072 4.543 4.470 0.002 0.000 0.219 693 S C 0.780 175.223 174.600 -0.263 0.000 0.960 693 S CA -0.262 57.870 58.200 -0.113 0.000 0.925 693 S CB -0.217 62.961 63.200 -0.036 0.000 0.775 693 S HN 0.275 nan 8.310 nan 0.000 0.525 694 S N 0.102 115.639 115.700 -0.272 0.000 2.779 694 S HA 0.592 5.063 4.470 0.002 0.000 0.293 694 S C 1.216 175.736 174.600 -0.133 0.000 1.150 694 S CA -0.219 57.805 58.200 -0.295 0.000 1.057 694 S CB 0.748 63.639 63.200 -0.515 0.000 1.021 694 S HN 0.315 nan 8.310 nan 0.000 0.485 695 G N 4.826 113.564 108.800 -0.102 0.000 2.766 695 G HA2 -0.338 3.623 3.960 0.002 0.000 0.222 695 G HA3 -0.338 3.623 3.960 0.002 0.000 0.222 695 G C 1.277 176.122 174.900 -0.092 0.000 1.225 695 G CA 1.739 46.790 45.100 -0.081 0.000 0.784 695 G HN 0.691 nan 8.290 nan 0.000 0.631 696 K N -0.706 119.623 120.400 -0.119 0.000 2.020 696 K HA -0.038 4.283 4.320 0.002 0.000 0.212 696 K C 2.789 179.361 176.600 -0.047 0.000 1.050 696 K CA 1.687 57.870 56.287 -0.174 0.000 0.929 696 K CB -0.295 31.933 32.500 -0.453 0.000 0.714 696 K HN 0.180 nan 8.250 nan 0.000 0.443 697 M N 0.289 119.915 119.600 0.042 0.000 2.073 697 M HA -0.178 4.303 4.480 0.002 0.000 0.258 697 M C 2.197 178.474 176.300 -0.039 0.000 1.070 697 M CA 1.515 56.827 55.300 0.020 0.000 1.103 697 M CB -1.021 31.604 32.600 0.042 0.000 1.321 697 M HN -0.020 nan 8.290 nan 0.000 0.405 698 V N 0.704 120.597 119.914 -0.035 0.000 2.233 698 V HA -0.330 3.791 4.120 0.002 0.000 0.252 698 V C 2.545 178.616 176.094 -0.039 0.000 1.063 698 V CA 2.098 64.381 62.300 -0.028 0.000 1.032 698 V CB -1.027 30.774 31.823 -0.036 0.000 0.645 698 V HN 0.488 nan 8.190 nan 0.000 0.446 699 L N -0.739 120.448 121.223 -0.060 0.000 1.956 699 L HA -0.239 4.102 4.340 0.002 0.000 0.216 699 L C 2.518 179.339 176.870 -0.081 0.000 1.073 699 L CA 2.453 57.246 54.840 -0.078 0.000 0.762 699 L CB -0.478 41.522 42.059 -0.099 0.000 0.889 699 L HN 0.384 nan 8.230 nan 0.000 0.433 700 L N 0.926 122.102 121.223 -0.079 0.000 2.013 700 L HA -0.310 4.031 4.340 0.002 0.000 0.212 700 L C 2.139 178.953 176.870 -0.093 0.000 1.073 700 L CA 2.456 57.247 54.840 -0.082 0.000 0.753 700 L CB -0.944 41.084 42.059 -0.051 0.000 0.890 700 L HN 0.517 nan 8.230 nan 0.000 0.432 701 D N -0.887 119.457 120.400 -0.093 0.000 2.269 701 D HA -0.334 4.307 4.640 0.002 0.000 0.191 701 D C 2.063 178.383 176.300 0.034 0.000 1.007 701 D CA 2.530 56.530 54.000 -0.001 0.000 0.855 701 D CB -0.400 40.448 40.800 0.079 0.000 0.979 701 D HN 0.652 nan 8.370 nan 0.000 0.452 702 Q N -0.196 119.607 119.800 0.005 0.000 2.311 702 Q HA -0.098 4.243 4.340 0.002 0.000 0.203 702 Q C 2.339 178.322 176.000 -0.027 0.000 0.954 702 Q CA 0.512 56.314 55.803 -0.001 0.000 0.885 702 Q CB -0.470 28.261 28.738 -0.012 0.000 0.963 702 Q HN 0.461 nan 8.270 nan 0.000 0.471 703 L N 1.187 122.374 121.223 -0.059 0.000 1.990 703 L HA -0.204 4.137 4.340 0.002 0.000 0.213 703 L C 2.042 178.890 176.870 -0.037 0.000 1.072 703 L CA 1.636 56.422 54.840 -0.090 0.000 0.755 703 L CB -0.970 41.001 42.059 -0.145 0.000 0.889 703 L HN 0.165 nan 8.230 nan 0.000 0.432 704 L N -0.753 120.468 121.223 -0.003 0.000 1.937 704 L HA -0.195 4.146 4.340 0.002 0.000 0.213 704 L C 2.444 179.346 176.870 0.053 0.000 1.077 704 L CA 2.266 57.133 54.840 0.046 0.000 0.758 704 L CB -2.209 39.890 42.059 0.068 0.000 0.888 704 L HN 0.265 nan 8.230 nan 0.000 0.433 705 T N 0.203 114.792 114.554 0.058 0.000 2.759 705 T HA -0.335 4.016 4.350 0.002 0.000 0.247 705 T C 2.012 176.730 174.700 0.030 0.000 1.131 705 T CA 2.321 64.447 62.100 0.043 0.000 1.135 705 T CB -0.193 68.698 68.868 0.037 0.000 0.825 705 T HN 0.247 nan 8.240 nan 0.000 0.483 706 R N 0.781 121.290 120.500 0.015 0.000 2.055 706 R HA 0.130 4.471 4.340 0.002 0.000 0.226 706 R C 2.707 179.025 176.300 0.030 0.000 1.135 706 R CA 1.252 57.358 56.100 0.009 0.000 0.959 706 R CB -1.001 29.286 30.300 -0.021 0.000 0.854 706 R HN 0.608 nan 8.270 nan 0.000 0.431 707 L N -0.625 120.611 121.223 0.021 0.000 2.492 707 L HA 0.165 4.506 4.340 0.002 0.000 0.223 707 L C 1.509 178.488 176.870 0.182 0.000 1.132 707 L CA 1.054 55.916 54.840 0.037 0.000 0.850 707 L CB -0.077 41.924 42.059 -0.098 0.000 0.966 707 L HN -0.125 nan 8.230 nan 0.000 0.454 708 K N 1.008 121.493 120.400 0.142 0.000 2.426 708 K HA -0.026 4.295 4.320 0.002 0.000 0.193 708 K C 1.684 178.342 176.600 0.097 0.000 1.028 708 K CA 0.322 56.703 56.287 0.158 0.000 1.047 708 K CB 0.265 32.838 32.500 0.122 0.000 0.821 708 K HN 0.413 nan 8.250 nan 0.000 0.513 709 K N 1.352 121.804 120.400 0.086 0.000 2.243 709 K HA -0.085 4.236 4.320 0.002 0.000 0.201 709 K C 0.068 176.730 176.600 0.103 0.000 1.051 709 K CA 1.255 57.580 56.287 0.063 0.000 0.970 709 K CB 0.290 32.817 32.500 0.044 0.000 0.755 709 K HN -0.069 nan 8.250 nan 0.000 0.465 710 D N -0.464 120.045 120.400 0.182 0.000 2.340 710 D HA 0.140 4.781 4.640 0.002 0.000 0.217 710 D C 0.676 177.119 176.300 0.239 0.000 1.081 710 D CA 0.718 54.863 54.000 0.241 0.000 0.842 710 D CB 0.823 41.860 40.800 0.394 0.000 0.934 710 D HN 0.429 nan 8.370 nan 0.000 0.511 711 G N 0.705 109.655 108.800 0.251 0.000 2.189 711 G HA2 -0.350 3.611 3.960 0.002 0.000 0.267 711 G HA3 -0.350 3.611 3.960 0.002 0.000 0.267 711 G C -0.008 175.057 174.900 0.276 0.000 0.975 711 G CA -0.093 45.187 45.100 0.299 0.000 0.644 711 G HN 0.464 nan 8.290 nan 0.000 0.537 712 H N 1.105 120.287 119.070 0.186 0.000 3.216 712 H HA 0.234 4.791 4.556 0.002 0.000 0.283 712 H C 1.163 176.606 175.328 0.191 0.000 0.921 712 H CA 0.393 56.540 56.048 0.166 0.000 1.419 712 H CB 0.422 30.283 29.762 0.166 0.000 1.460 712 H HN 0.121 nan 8.280 nan 0.000 0.553 713 R N 2.899 123.516 120.500 0.194 0.000 2.316 713 R HA 0.211 4.552 4.340 0.002 0.000 0.314 713 R C -0.526 175.954 176.300 0.301 0.000 1.069 713 R CA -0.430 55.772 56.100 0.170 0.000 0.959 713 R CB 0.985 31.292 30.300 0.012 0.000 0.987 713 R HN 0.406 nan 8.270 nan 0.000 0.446 714 V N 5.655 125.782 119.914 0.355 0.000 2.487 714 V HA 0.438 4.559 4.120 0.002 0.000 0.298 714 V C -0.503 175.719 176.094 0.215 0.000 1.028 714 V CA -0.850 61.618 62.300 0.281 0.000 0.860 714 V CB 1.637 33.609 31.823 0.247 0.000 0.991 714 V HN 0.607 nan 8.190 nan 0.000 0.427 715 L N 6.668 127.972 121.223 0.136 0.000 2.379 715 L HA 0.652 4.993 4.340 0.002 0.000 0.269 715 L C -0.916 175.934 176.870 -0.034 0.000 1.084 715 L CA -0.625 54.214 54.840 -0.003 0.000 0.802 715 L CB 1.744 43.820 42.059 0.028 0.000 1.175 715 L HN 0.583 nan 8.230 nan 0.000 0.448 716 I N 1.526 121.929 120.570 -0.277 0.000 2.607 716 I HA 0.413 4.584 4.170 0.002 0.000 0.290 716 I C -0.868 174.987 176.117 -0.437 0.000 1.129 716 I CA 0.005 61.199 61.300 -0.177 0.000 1.042 716 I CB 1.806 39.742 38.000 -0.107 0.000 1.242 716 I HN 0.168 nan 8.210 nan 0.000 0.421 717 F N 2.734 122.714 119.950 0.050 0.000 2.579 717 F HA 0.849 5.377 4.527 0.002 0.000 0.324 717 F C 0.442 176.275 175.800 0.055 0.000 1.058 717 F CA -0.753 57.267 58.000 0.034 0.000 0.944 717 F CB 2.293 41.321 39.000 0.048 0.000 1.245 717 F HN 0.437 nan 8.300 nan 0.000 0.477 718 S N -0.085 115.745 115.700 0.217 0.000 2.596 718 S HA 0.288 4.759 4.470 0.002 0.000 0.270 718 S C 0.002 174.678 174.600 0.127 0.000 1.155 718 S CA -0.629 57.667 58.200 0.160 0.000 0.827 718 S CB 1.819 65.035 63.200 0.027 0.000 1.130 718 S HN 0.611 nan 8.310 nan 0.000 0.467 719 Q N 0.956 120.826 119.800 0.116 0.000 2.049 719 Q HA 0.132 4.473 4.340 0.002 0.000 0.198 719 Q C 0.251 176.279 176.000 0.046 0.000 0.971 719 Q CA 1.132 56.984 55.803 0.082 0.000 0.833 719 Q CB -0.124 28.665 28.738 0.085 0.000 0.896 719 Q HN 0.666 nan 8.270 nan 0.000 0.434 720 M N 1.473 121.093 119.600 0.033 0.000 2.105 720 M HA 0.002 4.483 4.480 0.002 0.000 0.350 720 M C 1.231 177.508 176.300 -0.038 0.000 1.308 720 M CA -0.257 55.039 55.300 -0.006 0.000 1.108 720 M CB 1.413 34.006 32.600 -0.012 0.000 1.622 720 M HN 0.010 nan 8.290 nan 0.000 0.468 721 V N 3.436 123.329 119.914 -0.036 0.000 2.453 721 V HA -0.117 4.004 4.120 0.002 0.000 0.247 721 V C 2.166 178.218 176.094 -0.069 0.000 1.048 721 V CA 1.407 63.678 62.300 -0.049 0.000 1.049 721 V CB -0.420 31.383 31.823 -0.034 0.000 0.672 721 V HN 0.911 nan 8.190 nan 0.000 0.457 722 R N -0.261 120.199 120.500 -0.066 0.000 2.113 722 R HA -0.217 4.124 4.340 0.002 0.000 0.244 722 R C 2.267 178.502 176.300 -0.109 0.000 1.142 722 R CA 2.623 58.676 56.100 -0.078 0.000 0.953 722 R CB -1.068 29.184 30.300 -0.080 0.000 0.860 722 R HN 0.681 nan 8.270 nan 0.000 0.438 723 M N 0.460 119.983 119.600 -0.128 0.000 2.117 723 M HA -0.109 4.372 4.480 0.002 0.000 0.262 723 M C 2.073 178.220 176.300 -0.254 0.000 1.065 723 M CA 1.468 56.647 55.300 -0.200 0.000 1.114 723 M CB -0.341 32.138 32.600 -0.201 0.000 1.361 723 M HN 0.090 nan 8.290 nan 0.000 0.408 724 L N -0.151 120.949 121.223 -0.206 0.000 1.997 724 L HA -0.322 4.019 4.340 0.002 0.000 0.216 724 L C 2.081 178.869 176.870 -0.137 0.000 1.074 724 L CA 1.725 56.452 54.840 -0.189 0.000 0.763 724 L CB -1.315 40.663 42.059 -0.135 0.000 0.890 724 L HN 0.289 nan 8.230 nan 0.000 0.434 725 D N 0.217 120.558 120.400 -0.098 0.000 2.157 725 D HA -0.236 4.405 4.640 0.002 0.000 0.191 725 D C 2.125 178.386 176.300 -0.065 0.000 1.004 725 D CA 1.567 55.531 54.000 -0.059 0.000 0.854 725 D CB -0.248 40.520 40.800 -0.054 0.000 0.936 725 D HN 0.355 nan 8.370 nan 0.000 0.446 726 I N 0.153 120.649 120.570 -0.124 0.000 2.202 726 I HA -0.209 3.962 4.170 0.002 0.000 0.242 726 I C 2.065 178.107 176.117 -0.124 0.000 1.091 726 I CA 0.408 61.622 61.300 -0.144 0.000 1.368 726 I CB -0.127 37.704 38.000 -0.282 0.000 1.058 726 I HN 0.031 nan 8.210 nan 0.000 0.410 727 L N 0.757 121.866 121.223 -0.190 0.000 1.989 727 L HA -0.139 4.202 4.340 0.002 0.000 0.211 727 L C 2.782 179.593 176.870 -0.097 0.000 1.071 727 L CA 2.277 57.011 54.840 -0.177 0.000 0.749 727 L CB -2.587 39.289 42.059 -0.304 0.000 0.890 727 L HN 0.305 nan 8.230 nan 0.000 0.431 728 G N 0.168 108.922 108.800 -0.077 0.000 2.679 728 G HA2 -0.376 3.585 3.960 0.002 0.000 0.222 728 G HA3 -0.376 3.585 3.960 0.002 0.000 0.222 728 G C 1.286 176.244 174.900 0.097 0.000 1.164 728 G CA 1.390 46.535 45.100 0.076 0.000 0.769 728 G HN 0.351 nan 8.290 nan 0.000 0.610 729 D N -0.555 119.877 120.400 0.053 0.000 2.095 729 D HA -0.151 4.490 4.640 0.002 0.000 0.192 729 D C 1.958 178.295 176.300 0.061 0.000 0.990 729 D CA 1.321 55.357 54.000 0.061 0.000 0.836 729 D CB -0.840 39.993 40.800 0.055 0.000 0.979 729 D HN 0.365 nan 8.370 nan 0.000 0.447 730 Y N 1.104 121.360 120.300 -0.074 0.000 2.038 730 Y HA -0.351 4.200 4.550 0.002 0.000 0.266 730 Y C 2.298 178.144 175.900 -0.090 0.000 1.220 730 Y CA 1.923 59.974 58.100 -0.081 0.000 1.107 730 Y CB -0.592 37.800 38.460 -0.114 0.000 0.932 730 Y HN -0.025 nan 8.280 nan 0.000 0.500 731 L N -0.055 121.185 121.223 0.029 0.000 2.027 731 L HA -0.216 4.125 4.340 0.002 0.000 0.206 731 L C 2.839 179.676 176.870 -0.055 0.000 1.074 731 L CA 1.817 56.596 54.840 -0.103 0.000 0.745 731 L CB -1.033 40.717 42.059 -0.514 0.000 0.898 731 L HN 0.415 nan 8.230 nan 0.000 0.433 732 S N 0.070 115.808 115.700 0.064 0.000 2.383 732 S HA -0.203 4.268 4.470 0.002 0.000 0.229 732 S C 1.964 176.570 174.600 0.010 0.000 1.030 732 S CA 1.513 59.784 58.200 0.118 0.000 1.002 732 S CB -0.949 62.343 63.200 0.154 0.000 0.829 732 S HN 0.414 nan 8.310 nan 0.000 0.467 733 I N 1.020 121.551 120.570 -0.065 0.000 2.315 733 I HA -0.054 4.117 4.170 0.002 0.000 0.248 733 I C 2.781 178.810 176.117 -0.148 0.000 1.117 733 I CA 1.041 62.280 61.300 -0.101 0.000 1.404 733 I CB -0.292 37.632 38.000 -0.126 0.000 1.071 733 I HN 0.145 nan 8.210 nan 0.000 0.419 734 K N 0.912 121.161 120.400 -0.252 0.000 2.217 734 K HA 0.032 4.353 4.320 0.002 0.000 0.202 734 K C 1.250 177.790 176.600 -0.100 0.000 1.051 734 K CA 1.075 57.220 56.287 -0.235 0.000 0.952 734 K CB -0.131 32.145 32.500 -0.375 0.000 0.736 734 K HN 0.491 nan 8.250 nan 0.000 0.453 735 G N 1.439 110.211 108.800 -0.046 0.000 2.167 735 G HA2 -0.189 3.772 3.960 0.002 0.000 0.194 735 G HA3 -0.189 3.772 3.960 0.002 0.000 0.194 735 G C -0.258 174.676 174.900 0.057 0.000 1.027 735 G CA -0.170 44.938 45.100 0.014 0.000 0.717 735 G HN 0.146 nan 8.290 nan 0.000 0.501 736 I N 0.893 121.518 120.570 0.091 0.000 2.392 736 I HA 0.397 4.568 4.170 0.002 0.000 0.295 736 I C 0.189 176.504 176.117 0.329 0.000 0.985 736 I CA -1.279 60.111 61.300 0.149 0.000 1.221 736 I CB 1.183 39.245 38.000 0.104 0.000 1.366 736 I HN 0.034 nan 8.210 nan 0.000 0.467 737 N N 6.642 125.554 118.700 0.353 0.000 2.529 737 N HA 0.638 5.379 4.740 0.002 0.000 0.278 737 N C -0.627 175.277 175.510 0.657 0.000 1.146 737 N CA -0.024 53.299 53.050 0.455 0.000 0.980 737 N CB 1.233 39.925 38.487 0.343 0.000 1.124 737 N HN 0.671 nan 8.380 nan 0.000 0.458 738 F N -1.748 118.363 119.950 0.269 0.000 3.031 738 F HA 0.414 4.942 4.527 0.002 0.000 0.326 738 F C -1.618 174.374 175.800 0.320 0.000 1.143 738 F CA -1.196 57.010 58.000 0.342 0.000 0.871 738 F CB 0.983 40.124 39.000 0.236 0.000 1.377 738 F HN 0.192 nan 8.300 nan 0.000 0.462 739 Q N 0.558 120.506 119.800 0.247 0.000 2.587 739 Q HA 0.677 5.018 4.340 0.002 0.000 0.293 739 Q C -1.438 174.243 176.000 -0.532 0.000 1.083 739 Q CA -1.086 54.583 55.803 -0.223 0.000 0.792 739 Q CB 2.462 31.291 28.738 0.151 0.000 1.484 739 Q HN 0.611 nan 8.270 nan 0.000 0.446 740 R N 0.139 120.348 120.500 -0.484 0.000 2.778 740 R HA 0.769 5.110 4.340 0.002 0.000 0.277 740 R C -1.439 174.605 176.300 -0.426 0.000 0.977 740 R CA -0.794 55.041 56.100 -0.441 0.000 0.950 740 R CB 1.351 31.544 30.300 -0.178 0.000 1.165 740 R HN 0.443 nan 8.270 nan 0.000 0.474 741 L N 1.121 122.127 121.223 -0.362 0.000 2.409 741 L HA 0.527 4.868 4.340 0.002 0.000 0.255 741 L C -1.904 174.920 176.870 -0.077 0.000 1.027 741 L CA -0.099 54.648 54.840 -0.155 0.000 0.834 741 L CB 2.421 44.438 42.059 -0.069 0.000 1.426 741 L HN 0.924 nan 8.230 nan 0.000 0.411 742 D N 0.192 120.584 120.400 -0.013 0.000 3.138 742 D HA 0.187 4.828 4.640 0.002 0.000 0.293 742 D C 0.536 176.847 176.300 0.020 0.000 1.109 742 D CA -0.136 53.871 54.000 0.012 0.000 0.720 742 D CB -0.236 40.561 40.800 -0.004 0.000 1.336 742 D HN 0.667 nan 8.370 nan 0.000 0.462 743 G N -0.604 108.212 108.800 0.026 0.000 2.606 743 G HA2 -0.362 3.599 3.960 0.002 0.000 0.223 743 G HA3 -0.362 3.599 3.960 0.002 0.000 0.223 743 G C 1.163 176.074 174.900 0.018 0.000 1.106 743 G CA 2.071 47.187 45.100 0.026 0.000 0.745 743 G HN 0.640 nan 8.290 nan 0.000 0.597 744 T N 0.137 114.696 114.554 0.008 0.000 2.699 744 T HA -0.082 4.269 4.350 0.002 0.000 0.268 744 T C 1.481 176.184 174.700 0.005 0.000 1.036 744 T CA 1.082 63.184 62.100 0.002 0.000 1.147 744 T CB -0.613 68.250 68.868 -0.008 0.000 0.862 744 T HN 0.562 nan 8.240 nan 0.000 0.446 745 V N 2.010 121.928 119.914 0.007 0.000 2.455 745 V HA 0.408 4.529 4.120 0.002 0.000 0.273 745 V C -2.515 173.593 176.094 0.022 0.000 1.045 745 V CA -2.675 59.632 62.300 0.010 0.000 0.976 745 V CB 0.582 32.411 31.823 0.010 0.000 0.993 745 V HN 0.045 nan 8.190 nan 0.000 0.475 746 P HA 0.131 nan 4.420 nan 0.000 0.272 746 P C 1.132 178.452 177.300 0.034 0.000 1.223 746 P CA 0.421 63.538 63.100 0.027 0.000 0.784 746 P CB 1.364 33.077 31.700 0.020 0.000 0.923 747 S N 3.136 118.860 115.700 0.040 0.000 2.422 747 S HA -0.361 4.110 4.470 0.002 0.000 0.248 747 S C 1.973 176.597 174.600 0.041 0.000 1.069 747 S CA 2.783 61.009 58.200 0.044 0.000 1.214 747 S CB -1.593 61.635 63.200 0.046 0.000 1.122 747 S HN 0.566 nan 8.310 nan 0.000 0.432 748 A N 1.742 124.583 122.820 0.035 0.000 1.916 748 A HA -0.343 3.978 4.320 0.002 0.000 0.224 748 A C 2.315 179.917 177.584 0.029 0.000 1.366 748 A CA 2.778 54.832 52.037 0.029 0.000 0.692 748 A CB -1.597 17.416 19.000 0.021 0.000 0.841 748 A HN 0.728 nan 8.150 nan 0.000 0.480 749 Q N -0.540 119.277 119.800 0.028 0.000 1.942 749 Q HA -0.166 4.175 4.340 0.002 0.000 0.203 749 Q C 2.276 178.304 176.000 0.046 0.000 0.987 749 Q CA 1.920 57.740 55.803 0.028 0.000 0.844 749 Q CB -0.552 28.199 28.738 0.021 0.000 0.911 749 Q HN 0.704 nan 8.270 nan 0.000 0.423 750 R N -0.191 120.343 120.500 0.057 0.000 2.224 750 R HA -0.242 4.099 4.340 0.002 0.000 0.251 750 R C 1.998 178.351 176.300 0.089 0.000 1.123 750 R CA 2.154 58.304 56.100 0.084 0.000 0.944 750 R CB -0.438 29.910 30.300 0.081 0.000 0.910 750 R HN 0.207 nan 8.270 nan 0.000 0.440 751 R N 0.101 120.639 120.500 0.064 0.000 2.226 751 R HA -0.150 4.191 4.340 0.002 0.000 0.246 751 R C 1.969 178.305 176.300 0.059 0.000 1.161 751 R CA 1.308 57.441 56.100 0.054 0.000 0.997 751 R CB -0.689 29.637 30.300 0.042 0.000 0.870 751 R HN 0.322 nan 8.270 nan 0.000 0.465 752 I N -0.438 120.173 120.570 0.067 0.000 2.731 752 I HA -0.011 4.160 4.170 0.002 0.000 0.260 752 I C 1.793 177.976 176.117 0.110 0.000 1.138 752 I CA 0.936 62.277 61.300 0.069 0.000 1.461 752 I CB -0.198 37.825 38.000 0.040 0.000 1.128 752 I HN -0.066 nan 8.210 nan 0.000 0.438 753 S N 0.383 116.166 115.700 0.138 0.000 2.423 753 S HA -0.051 4.420 4.470 0.002 0.000 0.231 753 S C 1.969 176.708 174.600 0.233 0.000 1.014 753 S CA 1.141 59.491 58.200 0.251 0.000 0.965 753 S CB -0.282 63.097 63.200 0.298 0.000 0.785 753 S HN 0.280 nan 8.310 nan 0.000 0.495 754 I N 1.724 122.357 120.570 0.105 0.000 2.130 754 I HA -0.151 4.020 4.170 0.002 0.000 0.232 754 I C 2.027 178.139 176.117 -0.008 0.000 1.064 754 I CA 1.196 62.460 61.300 -0.061 0.000 1.338 754 I CB -0.381 37.611 38.000 -0.014 0.000 1.084 754 I HN 0.066 nan 8.210 nan 0.000 0.404 755 D N -0.155 120.267 120.400 0.038 0.000 2.203 755 D HA -0.280 4.361 4.640 0.002 0.000 0.199 755 D C 1.960 178.298 176.300 0.063 0.000 0.997 755 D CA 1.349 55.373 54.000 0.041 0.000 0.863 755 D CB -0.487 40.340 40.800 0.045 0.000 0.928 755 D HN 0.440 nan 8.370 nan 0.000 0.458 756 H N -1.273 117.806 119.070 0.016 0.000 2.462 756 H HA -0.096 4.461 4.556 0.002 0.000 0.292 756 H C 1.898 177.230 175.328 0.006 0.000 1.049 756 H CA 0.686 56.744 56.048 0.017 0.000 1.334 756 H CB -0.136 29.653 29.762 0.046 0.000 1.404 756 H HN 0.187 nan 8.280 nan 0.000 0.544 757 F N 1.800 121.630 119.950 -0.199 0.000 2.149 757 F HA -0.088 4.440 4.527 0.002 0.000 0.294 757 F C 1.662 177.294 175.800 -0.280 0.000 1.095 757 F CA 0.880 58.697 58.000 -0.306 0.000 1.276 757 F CB -0.123 38.574 39.000 -0.506 0.000 1.023 757 F HN 0.035 nan 8.300 nan 0.000 0.480 758 N N 0.634 119.338 118.700 0.008 0.000 2.575 758 N HA -0.059 4.682 4.740 0.002 0.000 0.192 758 N C 0.401 175.834 175.510 -0.128 0.000 1.200 758 N CA 0.491 53.510 53.050 -0.052 0.000 0.897 758 N CB -0.632 37.857 38.487 0.004 0.000 0.990 758 N HN 0.105 nan 8.380 nan 0.000 0.449 759 S N 1.932 117.522 115.700 -0.183 0.000 2.575 759 S HA 0.024 4.495 4.470 0.002 0.000 0.295 759 S C -1.162 173.333 174.600 -0.175 0.000 1.267 759 S CA -1.119 56.982 58.200 -0.165 0.000 1.074 759 S CB 0.737 63.806 63.200 -0.217 0.000 0.829 759 S HN 0.000 nan 8.310 nan 0.000 0.497 760 P HA -0.187 nan 4.420 nan 0.000 0.223 760 P C 0.077 177.304 177.300 -0.121 0.000 1.153 760 P CA 2.020 65.062 63.100 -0.097 0.000 0.853 760 P CB -0.179 31.484 31.700 -0.062 0.000 0.777 761 D N -5.021 115.290 120.400 -0.149 0.000 3.120 761 D HA 0.036 4.676 4.640 0.002 0.000 0.331 761 D C -0.481 175.700 176.300 -0.199 0.000 1.595 761 D CA -0.356 53.551 54.000 -0.154 0.000 0.771 761 D CB -0.944 39.807 40.800 -0.081 0.000 1.274 761 D HN -0.056 nan 8.370 nan 0.000 0.503 762 S N 0.711 116.223 115.700 -0.313 0.000 2.560 762 S HA 0.026 4.497 4.470 0.002 0.000 0.276 762 S C 1.266 175.680 174.600 -0.309 0.000 1.350 762 S CA -0.237 57.733 58.200 -0.384 0.000 1.024 762 S CB 0.627 63.462 63.200 -0.609 0.000 0.864 762 S HN 0.441 nan 8.310 nan 0.000 0.536 763 N N 0.308 118.930 118.700 -0.131 0.000 2.280 763 N HA -0.030 4.711 4.740 0.002 0.000 0.192 763 N C -0.949 174.727 175.510 0.277 0.000 1.109 763 N CA -0.080 53.077 53.050 0.179 0.000 0.855 763 N CB -0.272 38.333 38.487 0.196 0.000 0.974 763 N HN 0.563 nan 8.380 nan 0.000 0.482 764 D N 0.981 121.372 120.400 -0.015 0.000 2.417 764 D HA 0.016 4.657 4.640 0.002 0.000 0.250 764 D C -0.406 175.868 176.300 -0.045 0.000 1.166 764 D CA 0.170 54.231 54.000 0.102 0.000 0.881 764 D CB 0.632 41.469 40.800 0.061 0.000 1.164 764 D HN 0.150 nan 8.370 nan 0.000 0.467 765 F N 1.234 121.266 119.950 0.137 0.000 2.814 765 F HA 0.228 4.756 4.527 0.002 0.000 0.326 765 F C -0.053 175.899 175.800 0.254 0.000 1.159 765 F CA -0.289 57.787 58.000 0.127 0.000 1.234 765 F CB 0.900 39.952 39.000 0.087 0.000 1.016 765 F HN 0.072 nan 8.300 nan 0.000 0.510 766 V N -0.141 120.098 119.914 0.541 0.000 3.216 766 V HA 0.365 4.486 4.120 0.002 0.000 0.273 766 V C -2.083 174.398 176.094 0.646 0.000 1.664 766 V CA -1.102 61.486 62.300 0.480 0.000 1.021 766 V CB 2.904 34.879 31.823 0.253 0.000 1.250 766 V HN -0.078 nan 8.190 nan 0.000 0.463 767 F N 3.589 123.626 119.950 0.145 0.000 2.881 767 F HA 0.603 5.131 4.527 0.002 0.000 0.348 767 F C -1.133 174.585 175.800 -0.137 0.000 1.240 767 F CA -0.409 57.593 58.000 0.004 0.000 1.130 767 F CB 1.054 39.773 39.000 -0.469 0.000 1.417 767 F HN 0.374 nan 8.300 nan 0.000 0.585 768 L N 6.302 127.268 121.223 -0.427 0.000 2.371 768 L HA 0.587 4.928 4.340 0.002 0.000 0.272 768 L C -0.934 175.604 176.870 -0.553 0.000 1.124 768 L CA -0.628 53.971 54.840 -0.402 0.000 0.816 768 L CB 1.210 43.144 42.059 -0.208 0.000 1.129 768 L HN 0.536 nan 8.230 nan 0.000 0.448 769 L N 1.597 122.543 121.223 -0.462 0.000 2.465 769 L HA 0.340 4.681 4.340 0.002 0.000 0.257 769 L C -0.044 176.781 176.870 -0.076 0.000 0.988 769 L CA -0.244 54.411 54.840 -0.308 0.000 0.827 769 L CB 2.253 44.084 42.059 -0.380 0.000 1.397 769 L HN 0.623 nan 8.230 nan 0.000 0.410 770 S N -0.368 115.351 115.700 0.033 0.000 2.576 770 S HA 0.153 4.624 4.470 0.002 0.000 0.276 770 S C 0.940 175.706 174.600 0.277 0.000 1.339 770 S CA 0.219 58.486 58.200 0.111 0.000 1.039 770 S CB 1.047 64.288 63.200 0.070 0.000 0.902 770 S HN 0.692 nan 8.310 nan 0.000 0.516 771 T N 3.419 118.117 114.554 0.240 0.000 2.746 771 T HA -0.081 4.270 4.350 0.002 0.000 0.267 771 T C 1.857 176.621 174.700 0.106 0.000 1.039 771 T CA 1.492 63.708 62.100 0.193 0.000 1.142 771 T CB -0.309 68.626 68.868 0.112 0.000 0.866 771 T HN 0.695 nan 8.240 nan 0.000 0.444 772 R N 0.699 121.256 120.500 0.094 0.000 2.148 772 R HA 0.079 4.420 4.340 0.002 0.000 0.227 772 R C 2.615 178.964 176.300 0.083 0.000 1.103 772 R CA 0.926 57.067 56.100 0.068 0.000 0.983 772 R CB -0.410 29.922 30.300 0.053 0.000 0.874 772 R HN 0.385 nan 8.270 nan 0.000 0.451 773 A N 0.305 123.196 122.820 0.118 0.000 1.917 773 A HA -0.172 4.149 4.320 0.002 0.000 0.219 773 A C 2.279 179.952 177.584 0.147 0.000 1.182 773 A CA 1.957 54.073 52.037 0.132 0.000 0.633 773 A CB -1.448 17.646 19.000 0.156 0.000 0.819 773 A HN 0.547 nan 8.150 nan 0.000 0.448 774 G N -0.365 108.538 108.800 0.171 0.000 2.553 774 G HA2 -0.106 3.855 3.960 0.002 0.000 0.218 774 G HA3 -0.106 3.855 3.960 0.002 0.000 0.218 774 G C 1.496 176.430 174.900 0.056 0.000 1.195 774 G CA 1.247 46.409 45.100 0.104 0.000 0.779 774 G HN 1.072 nan 8.290 nan 0.000 0.577 775 G N -0.002 108.819 108.800 0.036 0.000 2.842 775 G HA2 -0.010 3.951 3.960 0.002 0.000 0.203 775 G HA3 -0.010 3.951 3.960 0.002 0.000 0.203 775 G C 1.344 176.274 174.900 0.050 0.000 1.172 775 G CA 0.267 45.389 45.100 0.036 0.000 0.843 775 G HN 0.296 nan 8.290 nan 0.000 0.516 776 L N 0.261 121.522 121.223 0.063 0.000 2.022 776 L HA 0.290 4.631 4.340 0.002 0.000 0.204 776 L C 1.890 178.795 176.870 0.059 0.000 1.076 776 L CA 2.551 57.431 54.840 0.066 0.000 0.749 776 L CB -0.984 41.124 42.059 0.082 0.000 0.903 776 L HN 0.473 nan 8.230 nan 0.000 0.439 777 G N -0.521 108.316 108.800 0.060 0.000 2.223 777 G HA2 -0.060 3.901 3.960 0.002 0.000 0.200 777 G HA3 -0.060 3.901 3.960 0.002 0.000 0.200 777 G C -0.396 174.536 174.900 0.053 0.000 1.061 777 G CA -0.487 44.645 45.100 0.053 0.000 0.790 777 G HN 0.073 nan 8.290 nan 0.000 0.498 778 I N 1.498 122.105 120.570 0.063 0.000 2.354 778 I HA 0.338 4.509 4.170 0.002 0.000 0.286 778 I C -0.017 176.130 176.117 0.050 0.000 1.007 778 I CA -1.298 60.038 61.300 0.060 0.000 1.167 778 I CB 1.043 39.092 38.000 0.082 0.000 1.320 778 I HN 0.247 nan 8.210 nan 0.000 0.458 779 N N 7.244 125.962 118.700 0.031 0.000 2.462 779 N HA 0.367 5.108 4.740 0.002 0.000 0.242 779 N C -0.511 175.001 175.510 0.004 0.000 1.010 779 N CA -0.373 52.693 53.050 0.025 0.000 0.939 779 N CB 0.876 39.378 38.487 0.025 0.000 1.127 779 N HN 0.505 nan 8.380 nan 0.000 0.509 780 L N 5.034 126.257 121.223 0.001 0.000 3.030 780 L HA 0.218 4.559 4.340 0.002 0.000 0.252 780 L C 1.252 178.148 176.870 0.042 0.000 1.316 780 L CA -0.172 54.655 54.840 -0.022 0.000 0.975 780 L CB 0.082 42.036 42.059 -0.174 0.000 1.357 780 L HN 0.661 nan 8.230 nan 0.000 0.534 781 M N -0.918 118.706 119.600 0.040 0.000 2.331 781 M HA -0.171 4.310 4.480 0.002 0.000 0.260 781 M C 1.778 178.113 176.300 0.058 0.000 1.072 781 M CA 1.744 57.067 55.300 0.039 0.000 1.065 781 M CB -0.698 31.911 32.600 0.014 0.000 1.392 781 M HN 0.328 nan 8.290 nan 0.000 0.427 782 T N 0.061 114.670 114.554 0.093 0.000 3.139 782 T HA 0.157 4.508 4.350 0.002 0.000 0.267 782 T C 0.685 175.483 174.700 0.164 0.000 1.164 782 T CA 0.693 62.841 62.100 0.081 0.000 1.075 782 T CB -0.475 68.415 68.868 0.037 0.000 0.904 782 T HN 0.449 nan 8.240 nan 0.000 0.540 783 A N 2.279 125.243 122.820 0.239 0.000 2.312 783 A HA 0.526 4.847 4.320 0.002 0.000 0.326 783 A C 0.645 178.313 177.584 0.140 0.000 1.172 783 A CA -0.822 51.354 52.037 0.231 0.000 0.821 783 A CB 0.824 19.963 19.000 0.232 0.000 1.166 783 A HN 0.268 nan 8.150 nan 0.000 0.493 784 D N 0.139 120.628 120.400 0.149 0.000 2.395 784 D HA 0.113 4.754 4.640 0.002 0.000 0.213 784 D C -0.118 176.295 176.300 0.187 0.000 1.110 784 D CA 0.565 54.648 54.000 0.138 0.000 0.835 784 D CB 0.059 40.919 40.800 0.100 0.000 0.965 784 D HN 0.378 nan 8.370 nan 0.000 0.505 785 T N -1.679 112.991 114.554 0.194 0.000 3.172 785 T HA 0.500 4.851 4.350 0.002 0.000 0.320 785 T C -0.871 173.931 174.700 0.170 0.000 1.085 785 T CA -0.769 61.437 62.100 0.177 0.000 1.052 785 T CB 1.671 70.688 68.868 0.249 0.000 1.107 785 T HN -0.123 nan 8.240 nan 0.000 0.458 786 V N 2.849 122.841 119.914 0.130 0.000 2.581 786 V HA 0.705 4.826 4.120 0.002 0.000 0.303 786 V C -0.437 175.775 176.094 0.197 0.000 1.041 786 V CA -0.664 61.756 62.300 0.200 0.000 0.907 786 V CB 2.022 33.973 31.823 0.213 0.000 0.994 786 V HN 0.882 nan 8.190 nan 0.000 0.442 787 V N 6.105 126.180 119.914 0.269 0.000 2.448 787 V HA 0.492 4.613 4.120 0.002 0.000 0.295 787 V C -0.201 176.084 176.094 0.318 0.000 1.025 787 V CA -0.474 61.988 62.300 0.271 0.000 0.859 787 V CB 1.794 33.768 31.823 0.251 0.000 0.988 787 V HN 0.641 nan 8.190 nan 0.000 0.431 788 I N 4.511 125.218 120.570 0.228 0.000 2.304 788 I HA 0.226 4.397 4.170 0.002 0.000 0.291 788 I C 0.709 176.949 176.117 0.204 0.000 1.018 788 I CA -0.162 61.266 61.300 0.213 0.000 1.260 788 I CB 1.116 39.165 38.000 0.081 0.000 1.390 788 I HN 0.610 nan 8.210 nan 0.000 0.475 789 F N 4.971 124.974 119.950 0.089 0.000 2.206 789 F HA -0.091 4.437 4.527 0.002 0.000 0.298 789 F C 0.834 176.659 175.800 0.041 0.000 1.090 789 F CA 0.982 59.012 58.000 0.049 0.000 1.323 789 F CB 0.266 39.286 39.000 0.035 0.000 1.028 789 F HN 0.540 nan 8.300 nan 0.000 0.492 790 D N -1.904 118.615 120.400 0.199 0.000 2.685 790 D HA 0.226 4.867 4.640 0.002 0.000 0.236 790 D C -1.142 175.217 176.300 0.099 0.000 1.233 790 D CA -0.536 53.530 54.000 0.109 0.000 0.760 790 D CB 1.262 42.147 40.800 0.142 0.000 1.410 790 D HN -0.106 nan 8.370 nan 0.000 0.439 791 S N 0.375 116.114 115.700 0.065 0.000 2.759 791 S HA 0.693 5.164 4.470 0.002 0.000 0.310 791 S C -0.954 173.696 174.600 0.083 0.000 1.123 791 S CA -0.827 57.406 58.200 0.055 0.000 0.959 791 S CB 1.370 64.580 63.200 0.016 0.000 1.172 791 S HN 0.481 nan 8.310 nan 0.000 0.539 792 D N 0.683 121.141 120.400 0.096 0.000 2.268 792 D HA 0.221 4.862 4.640 0.002 0.000 0.249 792 D C 0.903 177.324 176.300 0.202 0.000 1.008 792 D CA -0.789 53.301 54.000 0.151 0.000 0.939 792 D CB 0.275 41.176 40.800 0.169 0.000 1.170 792 D HN 0.682 nan 8.370 nan 0.000 0.468 793 W N 2.056 123.375 121.300 0.032 0.000 2.257 793 W HA -0.265 4.396 4.660 0.001 0.000 0.325 793 W C -0.281 176.250 176.519 0.020 0.000 1.296 793 W CA 1.214 58.575 57.345 0.027 0.000 1.297 793 W CB -0.525 28.952 29.460 0.028 0.000 1.131 793 W HN 0.256 nan 8.180 nan 0.000 0.492 794 N N 1.560 120.505 118.700 0.408 0.000 2.426 794 N HA 0.164 4.905 4.740 0.002 0.000 0.257 794 N C -1.934 173.636 175.510 0.100 0.000 1.002 794 N CA -1.826 51.361 53.050 0.229 0.000 0.942 794 N CB 1.624 40.364 38.487 0.423 0.000 1.112 794 N HN -0.139 nan 8.380 nan 0.000 0.499 795 P HA -0.003 nan 4.420 nan 0.000 0.224 795 P C 0.880 178.189 177.300 0.016 0.000 1.157 795 P CA 0.942 64.059 63.100 0.027 0.000 0.799 795 P CB 0.507 32.219 31.700 0.021 0.000 0.809 796 Q N 0.034 119.844 119.800 0.016 0.000 2.170 796 Q HA -0.120 4.221 4.340 0.002 0.000 0.203 796 Q C 2.188 178.191 176.000 0.006 0.000 0.976 796 Q CA 1.638 57.447 55.803 0.011 0.000 0.858 796 Q CB -0.850 27.904 28.738 0.026 0.000 0.907 796 Q HN 0.199 nan 8.270 nan 0.000 0.433 797 A N 1.744 124.581 122.820 0.029 0.000 1.978 797 A HA -0.223 4.098 4.320 0.002 0.000 0.220 797 A C 1.626 179.179 177.584 -0.052 0.000 1.170 797 A CA 1.756 53.801 52.037 0.013 0.000 0.636 797 A CB -0.269 18.763 19.000 0.054 0.000 0.810 797 A HN 0.250 nan 8.150 nan 0.000 0.448 798 D N -0.251 120.117 120.400 -0.054 0.000 2.162 798 D HA -0.069 4.572 4.640 0.002 0.000 0.203 798 D C 2.009 178.216 176.300 -0.155 0.000 0.967 798 D CA 1.526 55.454 54.000 -0.119 0.000 0.840 798 D CB -0.276 40.478 40.800 -0.076 0.000 0.972 798 D HN 0.575 nan 8.370 nan 0.000 0.482 799 L N -0.022 121.144 121.223 -0.095 0.000 2.156 799 L HA -0.035 4.306 4.340 0.002 0.000 0.208 799 L C 2.047 178.857 176.870 -0.100 0.000 1.095 799 L CA 1.280 56.062 54.840 -0.098 0.000 0.770 799 L CB -0.620 41.401 42.059 -0.063 0.000 0.914 799 L HN -0.246 nan 8.230 nan 0.000 0.439 800 Q N 1.165 120.917 119.800 -0.081 0.000 2.077 800 Q HA -0.213 4.128 4.340 0.002 0.000 0.206 800 Q C 2.446 178.377 176.000 -0.114 0.000 0.989 800 Q CA 2.278 58.044 55.803 -0.063 0.000 0.853 800 Q CB -0.715 28.000 28.738 -0.038 0.000 0.907 800 Q HN 0.747 nan 8.270 nan 0.000 0.418 801 A N 0.352 123.022 122.820 -0.249 0.000 1.930 801 A HA -0.123 4.198 4.320 0.002 0.000 0.217 801 A C 2.192 179.463 177.584 -0.521 0.000 1.175 801 A CA 1.168 52.873 52.037 -0.553 0.000 0.627 801 A CB -0.454 17.948 19.000 -0.997 0.000 0.815 801 A HN 0.279 nan 8.150 nan 0.000 0.443 802 M N -0.331 119.072 119.600 -0.328 0.000 2.084 802 M HA -0.177 4.304 4.480 0.002 0.000 0.259 802 M C 1.925 178.213 176.300 -0.020 0.000 1.072 802 M CA 1.656 56.867 55.300 -0.149 0.000 1.107 802 M CB -0.372 32.146 32.600 -0.137 0.000 1.299 802 M HN 0.402 nan 8.290 nan 0.000 0.413 803 A N 0.187 123.000 122.820 -0.012 0.000 2.305 803 A HA 0.004 4.325 4.320 0.002 0.000 0.236 803 A C 1.156 178.784 177.584 0.074 0.000 1.392 803 A CA 0.330 52.414 52.037 0.079 0.000 1.205 803 A CB -0.633 18.408 19.000 0.067 0.000 0.881 803 A HN 0.364 nan 8.150 nan 0.000 0.558 804 R N -1.086 119.464 120.500 0.082 0.000 2.334 804 R HA 0.293 4.634 4.340 0.002 0.000 0.212 804 R C 1.081 177.444 176.300 0.106 0.000 0.897 804 R CA 0.998 57.162 56.100 0.107 0.000 1.056 804 R CB 0.014 30.421 30.300 0.178 0.000 1.046 804 R HN 0.503 nan 8.270 nan 0.000 0.513 805 A N -0.619 122.271 122.820 0.116 0.000 2.653 805 A HA 0.072 4.393 4.320 0.002 0.000 0.248 805 A C 0.600 178.231 177.584 0.079 0.000 1.211 805 A CA -0.224 51.869 52.037 0.093 0.000 0.991 805 A CB -0.062 19.005 19.000 0.112 0.000 1.252 805 A HN 0.168 nan 8.150 nan 0.000 0.593 806 H N 0.971 120.047 119.070 0.010 0.000 2.640 806 H HA 0.277 4.834 4.556 0.002 0.000 0.312 806 H C -0.145 175.184 175.328 0.001 0.000 1.110 806 H CA -0.022 56.020 56.048 -0.010 0.000 1.098 806 H CB -0.067 29.678 29.762 -0.028 0.000 1.485 806 H HN 0.208 nan 8.280 nan 0.000 0.526 807 R N 2.032 122.523 120.500 -0.014 0.000 4.231 807 R HA 0.066 4.407 4.340 0.002 0.000 0.250 807 R C 0.590 176.881 176.300 -0.016 0.000 1.600 807 R CA -0.421 55.688 56.100 0.014 0.000 1.523 807 R CB -0.156 30.165 30.300 0.036 0.000 1.422 807 R HN 0.340 nan 8.270 nan 0.000 0.759 808 I N -0.504 120.035 120.570 -0.052 0.000 3.744 808 I HA -0.308 3.863 4.170 0.002 0.000 0.299 808 I C 0.785 176.904 176.117 0.003 0.000 0.962 808 I CA 1.595 62.884 61.300 -0.017 0.000 1.878 808 I CB -2.156 35.865 38.000 0.034 0.000 1.341 808 I HN 0.605 nan 8.210 nan 0.000 0.505 809 G N -0.075 108.718 108.800 -0.012 0.000 4.956 809 G HA2 0.287 4.248 3.960 0.002 0.000 0.263 809 G HA3 0.287 4.248 3.960 0.002 0.000 0.263 809 G C 0.105 174.994 174.900 -0.019 0.000 0.958 809 G CA -0.157 44.940 45.100 -0.004 0.000 0.749 809 G HN 0.364 nan 8.290 nan 0.000 0.356 810 Q N 1.481 121.254 119.800 -0.045 0.000 2.417 810 Q HA 0.438 4.779 4.340 0.002 0.000 0.241 810 Q C 1.275 177.252 176.000 -0.039 0.000 1.008 810 Q CA -0.096 55.675 55.803 -0.052 0.000 0.901 810 Q CB 1.176 29.849 28.738 -0.108 0.000 1.259 810 Q HN 0.151 nan 8.270 nan 0.000 0.489 811 K N 0.939 121.324 120.400 -0.026 0.000 2.440 811 K HA 0.270 4.591 4.320 0.002 0.000 0.207 811 K C -0.566 176.032 176.600 -0.004 0.000 1.112 811 K CA 0.125 56.404 56.287 -0.014 0.000 1.036 811 K CB 0.253 32.745 32.500 -0.014 0.000 0.935 811 K HN 0.465 nan 8.250 nan 0.000 0.564 812 N N 0.691 119.390 118.700 -0.001 0.000 2.619 812 N HA 0.098 4.839 4.740 0.002 0.000 0.294 812 N C -1.033 174.510 175.510 0.056 0.000 1.279 812 N CA -0.529 52.539 53.050 0.030 0.000 0.867 812 N CB 0.801 39.305 38.487 0.029 0.000 1.329 812 N HN 0.158 nan 8.380 nan 0.000 0.557 813 H N 0.798 119.875 119.070 0.011 0.000 2.527 813 H HA 0.293 4.850 4.556 0.002 0.000 0.321 813 H C -1.044 174.314 175.328 0.050 0.000 1.087 813 H CA -0.329 55.734 56.048 0.026 0.000 1.337 813 H CB 0.667 30.451 29.762 0.037 0.000 1.440 813 H HN 0.101 nan 8.280 nan 0.000 0.490 814 V N 6.582 126.266 119.914 -0.382 0.000 2.364 814 V HA 0.197 4.317 4.120 0.002 0.000 0.272 814 V C 0.386 176.359 176.094 -0.201 0.000 1.036 814 V CA -0.736 61.466 62.300 -0.163 0.000 0.880 814 V CB 0.666 32.460 31.823 -0.049 0.000 0.991 814 V HN 0.662 nan 8.190 nan 0.000 0.460 815 M N 6.227 125.799 119.600 -0.047 0.000 2.149 815 M HA 0.607 5.088 4.480 0.002 0.000 0.342 815 M C -0.876 175.215 176.300 -0.349 0.000 1.068 815 M CA -0.097 55.106 55.300 -0.160 0.000 0.991 815 M CB 1.468 34.029 32.600 -0.065 0.000 1.596 815 M HN 0.515 nan 8.290 nan 0.000 0.439 816 V N 5.871 125.505 119.914 -0.466 0.000 2.409 816 V HA 0.414 4.535 4.120 0.002 0.000 0.290 816 V C -1.448 174.397 176.094 -0.414 0.000 1.017 816 V CA -0.784 61.319 62.300 -0.328 0.000 0.841 816 V CB 0.737 32.468 31.823 -0.153 0.000 1.003 816 V HN 0.628 nan 8.190 nan 0.000 0.426 817 Y N 3.159 123.481 120.300 0.037 0.000 2.342 817 Y HA 0.578 5.129 4.550 0.002 0.000 0.338 817 Y C 0.574 176.470 175.900 -0.006 0.000 0.965 817 Y CA -0.794 57.312 58.100 0.011 0.000 1.159 817 Y CB 1.266 39.734 38.460 0.013 0.000 1.157 817 Y HN 0.497 nan 8.280 nan 0.000 0.486 818 R N 3.784 124.339 120.500 0.092 0.000 2.312 818 R HA 0.544 4.885 4.340 0.002 0.000 0.311 818 R C -1.207 175.083 176.300 -0.017 0.000 1.004 818 R CA -0.528 55.568 56.100 -0.007 0.000 0.902 818 R CB 0.708 30.924 30.300 -0.139 0.000 1.073 818 R HN 0.693 nan 8.270 nan 0.000 0.457 819 L N 4.699 125.884 121.223 -0.064 0.000 2.295 819 L HA 0.532 4.873 4.340 0.002 0.000 0.285 819 L C -0.719 176.059 176.870 -0.154 0.000 1.035 819 L CA -0.903 53.850 54.840 -0.145 0.000 0.806 819 L CB 1.813 43.691 42.059 -0.303 0.000 1.214 819 L HN 0.339 nan 8.230 nan 0.000 0.426 820 V N 1.100 120.942 119.914 -0.119 0.000 2.841 820 V HA 0.425 4.546 4.120 0.002 0.000 0.310 820 V C -0.276 175.770 176.094 -0.081 0.000 1.090 820 V CA -0.722 61.528 62.300 -0.084 0.000 0.930 820 V CB 2.338 34.139 31.823 -0.038 0.000 1.014 820 V HN 0.825 nan 8.190 nan 0.000 0.425 821 S N 2.783 118.444 115.700 -0.065 0.000 2.508 821 S HA 0.517 4.988 4.470 0.002 0.000 0.284 821 S C -0.401 174.174 174.600 -0.042 0.000 1.192 821 S CA -1.008 57.158 58.200 -0.057 0.000 1.070 821 S CB 0.983 64.146 63.200 -0.062 0.000 1.004 821 S HN 0.629 nan 8.310 nan 0.000 0.493 822 K N 2.009 122.391 120.400 -0.029 0.000 2.412 822 K HA 0.065 4.386 4.320 0.002 0.000 0.281 822 K C -0.320 176.235 176.600 -0.075 0.000 1.027 822 K CA 0.048 56.321 56.287 -0.023 0.000 0.989 822 K CB 0.108 32.630 32.500 0.035 0.000 0.935 822 K HN 0.649 nan 8.250 nan 0.000 0.475 823 D N 0.454 120.793 120.400 -0.103 0.000 3.079 823 D HA -0.141 4.500 4.640 0.002 0.000 0.214 823 D C -0.340 175.895 176.300 -0.109 0.000 1.145 823 D CA 1.219 55.129 54.000 -0.151 0.000 0.958 823 D CB -1.315 39.297 40.800 -0.313 0.000 1.117 823 D HN 0.526 nan 8.370 nan 0.000 0.416 824 T N -0.044 114.467 114.554 -0.071 0.000 2.882 824 T HA 0.257 4.608 4.350 0.002 0.000 0.287 824 T C 1.655 176.444 174.700 0.148 0.000 1.014 824 T CA -0.362 61.757 62.100 0.031 0.000 1.049 824 T CB 2.393 71.279 68.868 0.030 0.000 1.001 824 T HN -0.075 nan 8.240 nan 0.000 0.525 825 V N 1.356 121.437 119.914 0.279 0.000 2.828 825 V HA -0.144 3.977 4.120 0.002 0.000 0.260 825 V C 2.367 178.538 176.094 0.130 0.000 1.101 825 V CA 1.962 64.374 62.300 0.186 0.000 1.123 825 V CB -0.600 31.329 31.823 0.177 0.000 0.704 825 V HN 0.916 nan 8.190 nan 0.000 0.493 826 E N 0.218 120.493 120.200 0.126 0.000 2.097 826 E HA -0.272 4.079 4.350 0.002 0.000 0.196 826 E C 2.192 178.829 176.600 0.062 0.000 1.000 826 E CA 1.897 58.348 56.400 0.085 0.000 0.804 826 E CB -0.106 29.630 29.700 0.059 0.000 0.740 826 E HN 0.888 nan 8.360 nan 0.000 0.454 827 E N -0.102 120.128 120.200 0.051 0.000 2.208 827 E HA -0.175 4.176 4.350 0.002 0.000 0.193 827 E C 1.686 178.314 176.600 0.047 0.000 0.988 827 E CA 0.614 57.039 56.400 0.041 0.000 0.828 827 E CB -0.078 29.637 29.700 0.026 0.000 0.763 827 E HN 0.173 nan 8.360 nan 0.000 0.478 828 E N 1.250 121.482 120.200 0.053 0.000 2.110 828 E HA -0.094 4.257 4.350 0.002 0.000 0.193 828 E C 2.167 178.798 176.600 0.052 0.000 0.988 828 E CA 0.555 56.985 56.400 0.049 0.000 0.804 828 E CB -0.346 29.388 29.700 0.056 0.000 0.745 828 E HN 0.149 nan 8.360 nan 0.000 0.458 829 V N 1.060 121.013 119.914 0.066 0.000 2.515 829 V HA -0.168 3.953 4.120 0.002 0.000 0.250 829 V C 2.268 178.401 176.094 0.065 0.000 1.058 829 V CA 1.395 63.739 62.300 0.073 0.000 1.064 829 V CB -0.158 31.721 31.823 0.092 0.000 0.675 829 V HN 0.223 nan 8.190 nan 0.000 0.461 830 L N -1.062 120.203 121.223 0.069 0.000 2.168 830 L HA 0.096 4.437 4.340 0.002 0.000 0.203 830 L C 2.420 179.357 176.870 0.112 0.000 1.078 830 L CA 1.384 56.284 54.840 0.101 0.000 0.780 830 L CB -0.539 41.574 42.059 0.089 0.000 0.939 830 L HN 0.132 nan 8.230 nan 0.000 0.451 831 E N 0.691 120.931 120.200 0.067 0.000 2.265 831 E HA -0.247 4.104 4.350 0.002 0.000 0.196 831 E C 2.150 178.741 176.600 -0.014 0.000 0.996 831 E CA 0.909 57.322 56.400 0.021 0.000 0.832 831 E CB -0.147 29.559 29.700 0.011 0.000 0.756 831 E HN 0.559 nan 8.360 nan 0.000 0.491 832 R N 0.393 120.889 120.500 -0.007 0.000 2.073 832 R HA -0.043 4.298 4.340 0.002 0.000 0.229 832 R C 2.162 178.413 176.300 -0.081 0.000 1.120 832 R CA 1.314 57.387 56.100 -0.045 0.000 0.967 832 R CB -0.243 30.041 30.300 -0.027 0.000 0.862 832 R HN 0.047 nan 8.270 nan 0.000 0.436 833 A N 1.859 124.658 122.820 -0.037 0.000 1.841 833 A HA -0.183 4.138 4.320 0.002 0.000 0.216 833 A C 2.277 179.810 177.584 -0.085 0.000 1.199 833 A CA 1.617 53.626 52.037 -0.047 0.000 0.621 833 A CB -0.661 18.372 19.000 0.055 0.000 0.835 833 A HN 0.406 nan 8.150 nan 0.000 0.445 834 R N -0.305 120.142 120.500 -0.088 0.000 2.132 834 R HA -0.198 4.143 4.340 0.002 0.000 0.233 834 R C 2.195 178.396 176.300 -0.165 0.000 1.125 834 R CA 1.995 57.975 56.100 -0.200 0.000 0.914 834 R CB -0.571 29.543 30.300 -0.309 0.000 0.845 834 R HN 0.510 nan 8.270 nan 0.000 0.431 835 K N 0.556 120.872 120.400 -0.141 0.000 2.293 835 K HA -0.190 4.131 4.320 0.002 0.000 0.204 835 K C 2.027 178.537 176.600 -0.150 0.000 1.045 835 K CA 1.313 57.522 56.287 -0.130 0.000 0.933 835 K CB -0.012 32.426 32.500 -0.102 0.000 0.736 835 K HN 0.240 nan 8.250 nan 0.000 0.463 836 K N 0.259 120.551 120.400 -0.180 0.000 2.056 836 K HA 0.096 4.417 4.320 0.002 0.000 0.205 836 K C 1.620 178.094 176.600 -0.211 0.000 1.035 836 K CA 0.276 56.431 56.287 -0.219 0.000 0.955 836 K CB -0.006 32.307 32.500 -0.311 0.000 0.769 836 K HN 0.059 nan 8.250 nan 0.000 0.447 837 M N 2.908 122.390 119.600 -0.197 0.000 2.868 837 M HA -0.041 4.440 4.480 0.002 0.000 0.200 837 M C 0.871 177.059 176.300 -0.188 0.000 1.098 837 M CA 0.780 55.971 55.300 -0.181 0.000 1.072 837 M CB -0.443 32.083 32.600 -0.124 0.000 1.794 837 M HN 0.188 nan 8.290 nan 0.000 0.477 838 I N -2.810 117.642 120.570 -0.196 0.000 3.883 838 I HA 0.099 4.270 4.170 0.002 0.000 0.305 838 I C 0.147 176.111 176.117 -0.255 0.000 1.247 838 I CA -0.294 60.891 61.300 -0.192 0.000 1.350 838 I CB 0.045 37.963 38.000 -0.137 0.000 1.194 838 I HN -0.096 nan 8.210 nan 0.000 0.441 839 L N 3.202 124.282 121.223 -0.237 0.000 2.454 839 L HA 0.418 4.759 4.340 0.002 0.000 0.284 839 L C -0.073 176.597 176.870 -0.334 0.000 1.139 839 L CA 0.890 55.585 54.840 -0.242 0.000 0.911 839 L CB -1.028 40.928 42.059 -0.171 0.000 1.262 839 L HN 0.414 nan 8.230 nan 0.000 0.453 840 E N 2.074 121.960 120.200 -0.524 0.000 2.447 840 E HA 0.619 4.970 4.350 0.002 0.000 0.258 840 E C -0.963 175.279 176.600 -0.595 0.000 0.916 840 E CA -0.519 55.392 56.400 -0.814 0.000 0.846 840 E CB 1.222 29.842 29.700 -1.801 0.000 1.517 840 E HN 0.247 nan 8.360 nan 0.000 0.418 859 E N 1.181 120.438 120.200 -1.571 0.000 2.343 859 E HA 0.258 4.609 4.350 0.002 0.000 0.286 859 E C -2.815 173.714 176.600 -0.118 0.000 0.915 859 E CA -1.965 54.101 56.400 -0.557 0.000 0.784 859 E CB 2.537 32.082 29.700 -0.258 0.000 1.251 859 E HN 0.063 nan 8.360 nan 0.000 0.407 860 P HA -0.134 nan 4.420 nan 0.000 0.261 860 P C -0.448 176.974 177.300 0.203 0.000 1.165 860 P CA 0.620 63.951 63.100 0.384 0.000 0.759 860 P CB 0.314 32.160 31.700 0.243 0.000 0.772 861 N N 1.558 120.377 118.700 0.198 0.000 2.374 861 N HA 0.007 4.748 4.740 0.002 0.000 0.241 861 N C 1.404 176.909 175.510 -0.008 0.000 1.262 861 N CA 0.051 53.139 53.050 0.063 0.000 0.880 861 N CB 0.596 39.121 38.487 0.064 0.000 1.105 861 N HN 0.394 nan 8.380 nan 0.000 0.438 862 A N 2.552 125.297 122.820 -0.126 0.000 1.902 862 A HA -0.083 4.238 4.320 0.002 0.000 0.217 862 A C 1.978 179.524 177.584 -0.064 0.000 1.181 862 A CA 1.854 53.806 52.037 -0.142 0.000 0.623 862 A CB -1.063 17.749 19.000 -0.314 0.000 0.818 862 A HN 0.829 nan 8.150 nan 0.000 0.443 863 G N 0.723 109.488 108.800 -0.058 0.000 2.666 863 G HA2 -0.311 3.650 3.960 0.002 0.000 0.215 863 G HA3 -0.311 3.650 3.960 0.002 0.000 0.215 863 G C 1.382 176.283 174.900 0.001 0.000 1.294 863 G CA 1.254 46.339 45.100 -0.025 0.000 0.811 863 G HN 0.759 nan 8.290 nan 0.000 0.594 864 E N 0.218 120.427 120.200 0.015 0.000 2.233 864 E HA -0.199 4.152 4.350 0.002 0.000 0.199 864 E C 2.357 178.978 176.600 0.035 0.000 1.004 864 E CA 1.208 57.624 56.400 0.026 0.000 0.819 864 E CB -0.380 29.342 29.700 0.037 0.000 0.738 864 E HN 0.300 nan 8.360 nan 0.000 0.478 865 L N 1.748 122.995 121.223 0.039 0.000 2.079 865 L HA -0.168 4.173 4.340 0.002 0.000 0.210 865 L C 2.521 179.417 176.870 0.044 0.000 1.081 865 L CA 1.986 56.856 54.840 0.050 0.000 0.752 865 L CB -1.163 40.927 42.059 0.051 0.000 0.896 865 L HN 0.244 nan 8.230 nan 0.000 0.433 866 S N -0.832 114.889 115.700 0.035 0.000 2.369 866 S HA -0.283 4.188 4.470 0.002 0.000 0.225 866 S C 2.168 176.786 174.600 0.030 0.000 1.043 866 S CA 1.785 60.009 58.200 0.040 0.000 1.074 866 S CB -0.491 62.732 63.200 0.039 0.000 0.962 866 S HN 0.663 nan 8.310 nan 0.000 0.433 867 A N 1.539 124.375 122.820 0.026 0.000 1.859 867 A HA -0.134 4.187 4.320 0.002 0.000 0.217 867 A C 2.120 179.725 177.584 0.035 0.000 1.198 867 A CA 2.059 54.111 52.037 0.026 0.000 0.629 867 A CB -1.178 17.837 19.000 0.024 0.000 0.830 867 A HN 0.658 nan 8.150 nan 0.000 0.446 868 I N -0.606 119.990 120.570 0.042 0.000 2.248 868 I HA -0.310 3.861 4.170 0.002 0.000 0.248 868 I C 2.367 178.520 176.117 0.060 0.000 1.107 868 I CA 1.389 62.721 61.300 0.053 0.000 1.373 868 I CB -0.423 37.612 38.000 0.059 0.000 1.055 868 I HN 0.289 nan 8.210 nan 0.000 0.418 869 L N 0.107 121.358 121.223 0.047 0.000 2.102 869 L HA -0.071 4.269 4.340 0.002 0.000 0.202 869 L C 2.264 179.138 176.870 0.006 0.000 1.076 869 L CA 1.111 55.972 54.840 0.035 0.000 0.761 869 L CB -0.498 41.577 42.059 0.027 0.000 0.921 869 L HN 0.016 nan 8.230 nan 0.000 0.444 870 K N -0.413 119.969 120.400 -0.029 0.000 2.589 870 K HA -0.045 4.276 4.320 0.002 0.000 0.195 870 K C -0.446 176.021 176.600 -0.222 0.000 1.040 870 K CA 0.764 56.957 56.287 -0.157 0.000 0.950 870 K CB -0.036 32.378 32.500 -0.145 0.000 0.781 870 K HN 0.082 nan 8.250 nan 0.000 0.486 871 F N -1.650 118.294 119.950 -0.011 0.000 2.688 871 F HA 0.320 4.848 4.527 0.002 0.000 0.308 871 F C 0.162 175.970 175.800 0.013 0.000 1.117 871 F CA -0.873 57.122 58.000 -0.008 0.000 0.976 871 F CB 2.706 41.690 39.000 -0.025 0.000 1.291 871 F HN -0.114 nan 8.300 nan 0.000 0.439 872 G N 0.984 110.026 108.800 0.404 0.000 4.398 872 G HA2 0.316 4.277 3.960 0.002 0.000 0.224 872 G HA3 0.316 4.277 3.960 0.002 0.000 0.224 872 G C -0.208 174.827 174.900 0.225 0.000 0.991 872 G CA 0.331 45.554 45.100 0.204 0.000 1.262 872 G HN 0.972 nan 8.290 nan 0.000 0.704 873 A N -0.374 122.626 122.820 0.300 0.000 1.993 873 A HA 0.674 4.995 4.320 0.002 0.000 0.202 873 A C 2.192 179.891 177.584 0.192 0.000 1.461 873 A CA 1.886 54.116 52.037 0.323 0.000 0.824 873 A CB -0.228 19.057 19.000 0.475 0.000 1.024 873 A HN 1.045 nan 8.150 nan 0.000 0.507 874 G N 0.409 109.264 108.800 0.092 0.000 2.656 874 G HA2 -0.064 3.897 3.960 0.002 0.000 0.211 874 G HA3 -0.064 3.897 3.960 0.002 0.000 0.211 874 G C 1.293 176.166 174.900 -0.046 0.000 1.137 874 G CA 0.965 46.079 45.100 0.023 0.000 0.802 874 G HN 0.561 nan 8.290 nan 0.000 0.527 875 N N 0.951 119.576 118.700 -0.125 0.000 2.364 875 N HA -0.108 4.633 4.740 0.002 0.000 0.183 875 N C 1.494 176.835 175.510 -0.282 0.000 1.022 875 N CA 0.472 53.410 53.050 -0.187 0.000 0.883 875 N CB -0.389 37.968 38.487 -0.217 0.000 0.965 875 N HN 0.308 nan 8.380 nan 0.000 0.438 876 M N 2.230 121.728 119.600 -0.170 0.000 2.921 876 M HA 0.080 4.561 4.480 0.002 0.000 0.319 876 M C 0.182 176.522 176.300 0.066 0.000 1.710 876 M CA -0.173 55.045 55.300 -0.136 0.000 1.471 876 M CB -0.625 31.968 32.600 -0.011 0.000 1.832 876 M HN 0.178 nan 8.290 nan 0.000 0.467 877 F N 0.441 120.375 119.950 -0.025 0.000 1.994 877 F HA 0.161 4.689 4.527 0.002 0.000 0.293 877 F C 0.845 176.639 175.800 -0.009 0.000 1.276 877 F CA -0.339 57.650 58.000 -0.019 0.000 1.153 877 F CB -1.005 37.980 39.000 -0.024 0.000 0.968 877 F HN 0.331 nan 8.300 nan 0.000 0.496 878 T N -0.721 113.945 114.554 0.187 0.000 2.923 878 T HA 0.591 4.942 4.350 0.002 0.000 0.281 878 T C 0.745 175.459 174.700 0.023 0.000 0.995 878 T CA -0.178 61.943 62.100 0.035 0.000 0.985 878 T CB 1.748 70.578 68.868 -0.064 0.000 1.114 878 T HN 0.441 nan 8.240 nan 0.000 0.548 879 A N 0.670 123.496 122.820 0.010 0.000 1.909 879 A HA 0.095 4.416 4.320 0.002 0.000 0.210 879 A C 2.305 179.869 177.584 -0.032 0.000 1.273 879 A CA 1.045 53.086 52.037 0.007 0.000 0.654 879 A CB -1.318 17.700 19.000 0.031 0.000 0.945 879 A HN 0.843 nan 8.150 nan 0.000 0.471 880 T N -1.025 113.510 114.554 -0.031 0.000 2.849 880 T HA -0.162 4.189 4.350 0.002 0.000 0.270 880 T C 1.252 175.904 174.700 -0.081 0.000 1.066 880 T CA 1.812 63.887 62.100 -0.042 0.000 1.130 880 T CB -0.476 68.375 68.868 -0.028 0.000 0.864 880 T HN 0.365 nan 8.240 nan 0.000 0.481 881 D N 1.385 121.708 120.400 -0.128 0.000 2.084 881 D HA -0.024 4.617 4.640 0.002 0.000 0.196 881 D C 2.331 178.483 176.300 -0.247 0.000 0.985 881 D CA 0.920 54.792 54.000 -0.213 0.000 0.826 881 D CB -0.324 40.273 40.800 -0.338 0.000 0.978 881 D HN 0.409 nan 8.370 nan 0.000 0.456 882 N N -0.031 118.513 118.700 -0.261 0.000 2.094 882 N HA -0.228 4.513 4.740 0.002 0.000 0.191 882 N C 1.726 177.170 175.510 -0.109 0.000 1.023 882 N CA 0.851 53.784 53.050 -0.196 0.000 0.857 882 N CB -0.071 38.359 38.487 -0.095 0.000 1.013 882 N HN 0.135 nan 8.380 nan 0.000 0.426 883 Q N 1.846 121.599 119.800 -0.079 0.000 2.079 883 Q HA -0.117 4.224 4.340 0.002 0.000 0.200 883 Q C 1.846 177.812 176.000 -0.057 0.000 0.974 883 Q CA 1.505 57.278 55.803 -0.050 0.000 0.840 883 Q CB -0.168 28.553 28.738 -0.029 0.000 0.898 883 Q HN 0.031 nan 8.270 nan 0.000 0.430 884 K N 0.427 120.784 120.400 -0.072 0.000 2.020 884 K HA -0.194 4.127 4.320 0.002 0.000 0.212 884 K C 1.867 178.426 176.600 -0.069 0.000 1.050 884 K CA 1.943 58.189 56.287 -0.067 0.000 0.929 884 K CB -0.184 32.267 32.500 -0.080 0.000 0.714 884 K HN 0.137 nan 8.250 nan 0.000 0.443 885 K N -0.027 120.317 120.400 -0.093 0.000 2.001 885 K HA -0.142 4.179 4.320 0.002 0.000 0.214 885 K C 2.101 178.669 176.600 -0.053 0.000 1.050 885 K CA 2.012 58.253 56.287 -0.077 0.000 0.934 885 K CB -0.360 32.082 32.500 -0.097 0.000 0.718 885 K HN 0.083 nan 8.250 nan 0.000 0.443 886 L N 0.637 121.829 121.223 -0.052 0.000 2.012 886 L HA -0.275 4.066 4.340 0.002 0.000 0.210 886 L C 2.365 179.214 176.870 -0.034 0.000 1.073 886 L CA 1.288 56.104 54.840 -0.041 0.000 0.748 886 L CB -0.386 41.649 42.059 -0.040 0.000 0.891 886 L HN 0.283 nan 8.230 nan 0.000 0.431 887 E N 0.824 121.004 120.200 -0.034 0.000 2.054 887 E HA -0.289 4.062 4.350 0.002 0.000 0.225 887 E C 0.828 177.413 176.600 -0.024 0.000 1.048 887 E CA 2.252 58.637 56.400 -0.026 0.000 0.899 887 E CB -0.094 29.590 29.700 -0.027 0.000 0.801 887 E HN 0.611 nan 8.360 nan 0.000 0.495 888 D N 0.117 120.501 120.400 -0.026 0.000 2.561 888 D HA 0.079 4.720 4.640 0.002 0.000 0.232 888 D C 0.290 176.574 176.300 -0.027 0.000 1.198 888 D CA -0.218 53.767 54.000 -0.024 0.000 0.826 888 D CB -0.819 39.968 40.800 -0.022 0.000 0.992 888 D HN 0.286 nan 8.370 nan 0.000 0.490 889 L N 0.444 121.649 121.223 -0.031 0.000 2.593 889 L HA 0.043 4.384 4.340 0.002 0.000 0.287 889 L C -0.259 176.587 176.870 -0.039 0.000 1.243 889 L CA 0.103 54.922 54.840 -0.034 0.000 0.890 889 L CB 0.498 42.534 42.059 -0.038 0.000 1.134 889 L HN -0.026 nan 8.230 nan 0.000 0.502 890 N N 5.107 123.778 118.700 -0.048 0.000 2.443 890 N HA 0.095 4.836 4.740 0.002 0.000 0.269 890 N C 0.560 176.020 175.510 -0.083 0.000 0.985 890 N CA -0.709 52.305 53.050 -0.059 0.000 0.921 890 N CB 1.166 39.618 38.487 -0.057 0.000 1.195 890 N HN 0.754 nan 8.380 nan 0.000 0.492 891 L N 3.073 124.248 121.223 -0.081 0.000 2.058 891 L HA -0.269 4.072 4.340 0.002 0.000 0.226 891 L C 0.720 177.516 176.870 -0.123 0.000 1.089 891 L CA 2.181 56.959 54.840 -0.103 0.000 0.799 891 L CB -0.911 41.092 42.059 -0.094 0.000 0.900 891 L HN 0.620 nan 8.230 nan 0.000 0.442 892 D N 0.010 120.343 120.400 -0.112 0.000 2.087 892 D HA -0.182 4.459 4.640 0.002 0.000 0.192 892 D C 1.886 178.078 176.300 -0.181 0.000 0.993 892 D CA 1.577 55.506 54.000 -0.118 0.000 0.828 892 D CB -0.365 40.380 40.800 -0.091 0.000 0.968 892 D HN 0.475 nan 8.370 nan 0.000 0.448 893 D N 0.562 120.821 120.400 -0.235 0.000 2.126 893 D HA -0.141 4.500 4.640 0.002 0.000 0.190 893 D C 2.267 178.263 176.300 -0.507 0.000 1.001 893 D CA 0.706 54.419 54.000 -0.479 0.000 0.841 893 D CB -0.508 40.060 40.800 -0.388 0.000 0.949 893 D HN 0.011 nan 8.370 nan 0.000 0.446 894 V N 0.918 120.690 119.914 -0.237 0.000 2.439 894 V HA -0.239 3.882 4.120 0.002 0.000 0.253 894 V C 2.409 178.458 176.094 -0.075 0.000 1.074 894 V CA 1.321 63.557 62.300 -0.107 0.000 1.076 894 V CB -0.244 31.526 31.823 -0.088 0.000 0.664 894 V HN 0.154 nan 8.190 nan 0.000 0.461 895 L N -0.920 120.235 121.223 -0.113 0.000 2.408 895 L HA 0.115 4.456 4.340 0.002 0.000 0.215 895 L C 1.795 178.660 176.870 -0.008 0.000 1.081 895 L CA 0.739 55.544 54.840 -0.057 0.000 0.840 895 L CB -0.079 41.927 42.059 -0.088 0.000 1.002 895 L HN 0.319 nan 8.230 nan 0.000 0.468 896 N N -1.585 117.077 118.700 -0.064 0.000 2.353 896 N HA -0.041 4.699 4.740 0.002 0.000 0.185 896 N C 1.240 176.826 175.510 0.127 0.000 1.098 896 N CA 0.446 53.495 53.050 -0.002 0.000 0.872 896 N CB 0.047 38.505 38.487 -0.048 0.000 0.970 896 N HN 0.272 nan 8.380 nan 0.000 0.467 897 H N 0.482 119.557 119.070 0.008 0.000 2.451 897 H HA 0.384 4.941 4.556 0.002 0.000 0.294 897 H C 0.567 175.905 175.328 0.017 0.000 1.028 897 H CA -0.094 55.959 56.048 0.009 0.000 1.349 897 H CB -0.614 29.149 29.762 0.003 0.000 1.444 897 H HN 0.049 nan 8.280 nan 0.000 0.538 898 A N 2.956 125.863 122.820 0.145 0.000 2.602 898 A HA -0.160 4.161 4.320 0.002 0.000 0.256 898 A C 0.684 178.323 177.584 0.092 0.000 0.956 898 A CA 0.347 52.445 52.037 0.103 0.000 0.878 898 A CB -0.056 19.004 19.000 0.101 0.000 0.834 898 A HN 0.304 nan 8.150 nan 0.000 0.473 899 E N 1.673 121.920 120.200 0.078 0.000 2.435 899 E HA 0.120 4.471 4.350 0.002 0.000 0.256 899 E C -0.589 176.057 176.600 0.078 0.000 1.245 899 E CA 0.294 56.735 56.400 0.068 0.000 0.989 899 E CB 0.336 30.076 29.700 0.068 0.000 0.983 899 E HN 0.700 nan 8.360 nan 0.000 0.480 900 D N -0.584 119.858 120.400 0.070 0.000 2.362 900 D HA 0.119 4.760 4.640 0.002 0.000 0.247 900 D C -0.639 175.725 176.300 0.106 0.000 1.050 900 D CA -0.328 53.721 54.000 0.082 0.000 0.839 900 D CB 0.926 41.760 40.800 0.056 0.000 1.283 900 D HN 0.256 nan 8.370 nan 0.000 0.477 901 H N 2.428 121.499 119.070 0.001 0.000 3.089 901 H HA 0.198 4.755 4.556 0.002 0.000 0.262 901 H C -0.592 174.726 175.328 -0.018 0.000 1.160 901 H CA -0.434 55.607 56.048 -0.011 0.000 1.482 901 H CB 0.286 30.039 29.762 -0.015 0.000 1.511 901 H HN 0.121 nan 8.280 nan 0.000 0.483 902 V N 5.227 125.060 119.914 -0.135 0.000 2.389 902 V HA 0.076 4.197 4.120 0.002 0.000 0.264 902 V C 0.828 176.815 176.094 -0.179 0.000 1.049 902 V CA -0.291 61.941 62.300 -0.113 0.000 0.932 902 V CB 0.798 32.569 31.823 -0.087 0.000 1.011 902 V HN 0.799 nan 8.190 nan 0.000 0.475 903 T N 0.169 114.655 114.554 -0.114 0.000 3.380 903 T HA 0.301 4.652 4.350 0.002 0.000 0.289 903 T C 0.179 174.855 174.700 -0.039 0.000 1.012 903 T CA -0.318 61.717 62.100 -0.108 0.000 0.944 903 T CB -0.070 68.751 68.868 -0.078 0.000 1.172 903 T HN 0.680 nan 8.240 nan 0.000 0.502 904 T N 1.932 116.471 114.554 -0.026 0.000 3.237 904 T HA 0.472 4.823 4.350 0.002 0.000 0.319 904 T C -3.163 171.546 174.700 0.014 0.000 1.037 904 T CA -1.322 60.797 62.100 0.031 0.000 1.048 904 T CB 1.608 70.494 68.868 0.030 0.000 1.081 904 T HN -0.133 nan 8.240 nan 0.000 0.455 905 P HA 0.126 nan 4.420 nan 0.000 0.262 905 P C -0.044 177.263 177.300 0.011 0.000 1.182 905 P CA -0.140 62.969 63.100 0.015 0.000 0.761 905 P CB 0.225 31.949 31.700 0.041 0.000 0.795 906 D N 2.510 122.906 120.400 -0.007 0.000 2.662 906 D HA -0.125 4.516 4.640 0.002 0.000 0.233 906 D C 0.483 176.776 176.300 -0.011 0.000 1.129 906 D CA 0.432 54.423 54.000 -0.014 0.000 0.851 906 D CB 0.224 41.014 40.800 -0.016 0.000 1.152 906 D HN 0.282 nan 8.370 nan 0.000 0.507 907 L N 3.592 124.799 121.223 -0.027 0.000 2.599 907 L HA 0.283 4.624 4.340 0.002 0.000 0.230 907 L C 1.615 178.458 176.870 -0.044 0.000 1.141 907 L CA 0.342 55.160 54.840 -0.037 0.000 0.877 907 L CB -1.080 40.938 42.059 -0.069 0.000 1.009 907 L HN 0.851 nan 8.230 nan 0.000 0.447 908 G N 0.952 109.730 108.800 -0.038 0.000 2.681 908 G HA2 -0.193 3.768 3.960 0.002 0.000 0.220 908 G HA3 -0.193 3.768 3.960 0.002 0.000 0.220 908 G C -0.433 174.404 174.900 -0.105 0.000 1.353 908 G CA -0.183 44.892 45.100 -0.041 0.000 0.872 908 G HN 0.262 nan 8.290 nan 0.000 0.557 909 E N -0.265 119.833 120.200 -0.170 0.000 2.232 909 E HA 0.644 4.995 4.350 0.002 0.000 0.265 909 E C -0.204 176.127 176.600 -0.449 0.000 1.001 909 E CA -0.304 55.945 56.400 -0.253 0.000 0.870 909 E CB 1.345 30.921 29.700 -0.206 0.000 1.175 909 E HN 0.596 nan 8.360 nan 0.000 0.407 910 S N 1.589 117.071 115.700 -0.363 0.000 2.481 910 S HA 0.145 4.616 4.470 0.002 0.000 0.276 910 S C -0.381 173.945 174.600 -0.456 0.000 1.247 910 S CA -0.498 57.485 58.200 -0.360 0.000 1.053 910 S CB -0.126 62.939 63.200 -0.225 0.000 0.925 910 S HN 0.331 nan 8.310 nan 0.000 0.491 911 H N 3.719 122.690 119.070 -0.166 0.000 2.787 911 H HA 0.214 4.771 4.556 0.002 0.000 0.275 911 H C 0.194 175.368 175.328 -0.255 0.000 1.183 911 H CA -0.346 55.587 56.048 -0.191 0.000 1.290 911 H CB 0.315 29.958 29.762 -0.199 0.000 1.438 911 H HN 0.495 nan 8.280 nan 0.000 0.487 912 L N 2.345 123.477 121.223 -0.152 0.000 2.645 912 L HA 0.206 4.547 4.340 0.002 0.000 0.234 912 L C 0.825 177.501 176.870 -0.323 0.000 1.165 912 L CA 0.110 54.818 54.840 -0.221 0.000 0.944 912 L CB 0.081 42.048 42.059 -0.153 0.000 1.149 912 L HN 0.847 nan 8.230 nan 0.000 0.446 913 G N -1.461 107.104 108.800 -0.392 0.000 2.354 913 G HA2 0.045 4.006 3.960 0.002 0.000 0.582 913 G HA3 0.045 4.006 3.960 0.002 0.000 0.582 913 G C -0.409 174.375 174.900 -0.193 0.000 1.316 913 G CA -0.587 44.183 45.100 -0.550 0.000 0.995 913 G HN 0.066 nan 8.290 nan 0.000 0.573 914 G N -0.275 108.528 108.800 0.004 0.000 2.546 914 G HA2 0.513 4.474 3.960 0.002 0.000 0.320 914 G HA3 0.513 4.474 3.960 0.002 0.000 0.320 914 G C 0.841 175.807 174.900 0.110 0.000 0.984 914 G CA 1.062 46.245 45.100 0.138 0.000 1.183 914 G HN 0.865 nan 8.290 nan 0.000 0.443 915 E N 1.105 121.348 120.200 0.071 0.000 2.782 915 E HA -0.334 4.017 4.350 0.002 0.000 0.241 915 E C 1.827 178.473 176.600 0.076 0.000 0.998 915 E CA 2.302 58.742 56.400 0.068 0.000 1.535 915 E CB -0.105 29.632 29.700 0.061 0.000 1.442 915 E HN 0.710 nan 8.360 nan 0.000 0.461 916 E N -0.476 119.781 120.200 0.095 0.000 1.987 916 E HA -0.218 4.133 4.350 0.002 0.000 0.214 916 E C 1.930 178.518 176.600 -0.020 0.000 1.012 916 E CA 1.398 57.861 56.400 0.104 0.000 0.881 916 E CB -1.003 28.845 29.700 0.247 0.000 0.806 916 E HN 0.463 nan 8.360 nan 0.000 0.516 917 F N 1.733 121.398 119.950 -0.476 0.000 2.094 917 F HA -0.341 4.186 4.527 0.002 0.000 0.296 917 F C 2.264 177.790 175.800 -0.457 0.000 1.070 917 F CA 1.753 59.137 58.000 -1.027 0.000 1.255 917 F CB -0.333 38.146 39.000 -0.869 0.000 1.000 917 F HN 0.014 nan 8.300 nan 0.000 0.490 918 L N 0.465 121.871 121.223 0.304 0.000 2.013 918 L HA -0.296 4.045 4.340 0.002 0.000 0.212 918 L C 2.479 179.377 176.870 0.047 0.000 1.073 918 L CA 2.032 57.045 54.840 0.288 0.000 0.753 918 L CB -1.094 41.071 42.059 0.177 0.000 0.890 918 L HN 0.168 nan 8.230 nan 0.000 0.432 919 K N 0.128 120.507 120.400 -0.035 0.000 2.052 919 K HA -0.234 4.087 4.320 0.002 0.000 0.215 919 K C 1.667 178.182 176.600 -0.142 0.000 1.053 919 K CA 1.422 57.667 56.287 -0.071 0.000 0.934 919 K CB -0.416 32.041 32.500 -0.072 0.000 0.717 919 K HN 0.416 nan 8.250 nan 0.000 0.450 920 Q N -0.359 119.246 119.800 -0.324 0.000 2.344 920 Q HA -0.017 4.324 4.340 0.002 0.000 0.212 920 Q C 0.501 176.294 176.000 -0.344 0.000 0.943 920 Q CA 0.600 56.143 55.803 -0.434 0.000 0.955 920 Q CB 0.095 28.399 28.738 -0.723 0.000 1.000 920 Q HN 0.264 nan 8.270 nan 0.000 0.488 921 F N -0.124 119.650 119.950 -0.293 0.000 2.856 921 F HA 0.320 4.848 4.527 0.002 0.000 0.338 921 F C 0.239 175.978 175.800 -0.101 0.000 1.100 921 F CA -0.403 57.470 58.000 -0.213 0.000 1.150 921 F CB 1.027 39.910 39.000 -0.195 0.000 1.101 921 F HN -0.064 nan 8.300 nan 0.000 0.548 922 E N 0.000 120.257 120.200 0.096 0.000 2.725 922 E HA 0.000 4.351 4.350 0.002 0.000 0.291 922 E CA 0.000 56.418 56.400 0.030 0.000 0.976 922 E CB 0.000 29.710 29.700 0.017 0.000 0.812 922 E HN 0.000 nan 8.360 nan 0.000 0.440