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 1uik_1_A DATA FIRST_RESID 148 DATA SEQUENCE NPFHFNSKRF QTLFKNQYGH VRVLQRFNKR SQQLQNLRDY RILEFNSKPN DATA SEQUENCE TLLLPHHADA DYLIVILNGT AILTLVNNDD RDSYNLQSGD ALRVPAGTTY DATA SEQUENCE YVVNPDNDEN LRMITLAIPV NKPGRFESFF LSSTQAQQSY LQGFSKNILE DATA SEQUENCE ASYDTKFEEI NKVLFGXXXX XXXXXXXXQE SVIVEISKKQ IRELSKHAKS DATA SEQUENCE SSRKTISSED KPFNLRSRDP IYSNKLGKLF EITPEKNPQL RDLDVFLSVV DATA SEQUENCE DMNEGALFLP HFNSKAIVVL VINEGEANIE LVGIXXXXXX XXXXXXPLEV DATA SEQUENCE RKYRAELSEQ DIFVIPAGYP VVVNATSDLN FFAFGINAEN NQRNFLAGSK DATA SEQUENCE DNVISQIPSQ VQELAFPGSA KDIENLIKSQ SESYFVDA 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 148 N HA 0.000 nan 4.740 nan 0.000 0.220 148 N C 0.000 175.382 175.510 -0.214 0.000 1.280 148 N CA 0.000 53.096 53.050 0.076 0.000 0.885 148 N CB 0.000 38.626 38.487 0.232 0.000 1.341 149 P HA -0.009 nan 4.420 nan 0.000 0.230 149 P C 0.394 177.191 177.300 -0.838 0.000 1.158 149 P CA 0.722 63.399 63.100 -0.705 0.000 0.769 149 P CB -0.053 31.199 31.700 -0.747 0.000 0.807 150 F N -1.441 118.274 119.950 -0.392 0.000 2.754 150 F HA 0.144 4.671 4.527 -0.000 0.000 0.297 150 F C 1.589 177.041 175.800 -0.579 0.000 1.122 150 F CA -0.297 57.376 58.000 -0.544 0.000 1.400 150 F CB -0.421 38.061 39.000 -0.862 0.000 1.117 150 F HN 0.012 nan 8.300 nan 0.000 0.587 151 H N 0.147 118.992 119.070 -0.375 0.000 2.517 151 H HA 0.322 4.878 4.556 -0.000 0.000 0.317 151 H C -1.344 173.799 175.328 -0.309 0.000 1.080 151 H CA -0.662 55.340 56.048 -0.077 0.000 1.301 151 H CB 0.628 30.476 29.762 0.143 0.000 1.425 151 H HN -0.074 nan 8.280 nan 0.000 0.471 152 F N 5.359 125.410 119.950 0.168 0.000 2.500 152 F HA 0.186 4.712 4.527 -0.000 0.000 0.349 152 F C 0.276 176.096 175.800 0.033 0.000 1.127 152 F CA -0.708 57.284 58.000 -0.013 0.000 0.998 152 F CB 0.888 39.881 39.000 -0.011 0.000 1.237 152 F HN 0.609 nan 8.300 nan 0.000 0.439 153 N N 0.136 118.830 118.700 -0.011 0.000 2.604 153 N HA 0.291 5.031 4.740 -0.000 0.000 0.297 153 N C 0.580 176.257 175.510 0.280 0.000 1.266 153 N CA -0.729 52.381 53.050 0.100 0.000 0.961 153 N CB 0.982 39.413 38.487 -0.093 0.000 1.166 153 N HN 0.255 nan 8.380 nan 0.000 0.601 154 S N -0.161 115.662 115.700 0.205 0.000 2.392 154 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 154 S C 1.420 176.149 174.600 0.216 0.000 1.041 154 S CA 1.365 59.683 58.200 0.196 0.000 1.026 154 S CB -0.388 62.848 63.200 0.060 0.000 0.845 154 S HN 0.489 nan 8.310 nan 0.000 0.465 155 K N 0.348 120.824 120.400 0.127 0.000 2.360 155 K HA 0.018 4.337 4.320 -0.000 0.000 0.201 155 K C 1.659 178.315 176.600 0.094 0.000 1.046 155 K CA 0.618 56.956 56.287 0.084 0.000 0.945 155 K CB 0.032 32.549 32.500 0.029 0.000 0.750 155 K HN 0.120 nan 8.250 nan 0.000 0.464 156 R N -0.178 120.407 120.500 0.141 0.000 2.300 156 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 156 R C 0.225 176.515 176.300 -0.017 0.000 0.920 156 R CA 0.294 56.437 56.100 0.071 0.000 1.046 156 R CB -0.142 30.235 30.300 0.128 0.000 0.984 156 R HN 0.037 nan 8.270 nan 0.000 0.493 157 F N 0.921 120.881 119.950 0.016 0.000 2.378 157 F HA 0.341 4.868 4.527 -0.000 0.000 0.325 157 F C 0.939 176.732 175.800 -0.011 0.000 1.097 157 F CA -0.281 57.712 58.000 -0.012 0.000 1.079 157 F CB 0.877 39.865 39.000 -0.020 0.000 1.240 157 F HN -0.294 nan 8.300 nan 0.000 0.519 158 Q N 1.164 121.063 119.800 0.165 0.000 2.321 158 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 158 Q C -1.175 174.886 176.000 0.102 0.000 1.032 158 Q CA -0.532 55.322 55.803 0.085 0.000 0.784 158 Q CB 2.239 30.979 28.738 0.004 0.000 1.264 158 Q HN 0.662 nan 8.270 nan 0.000 0.448 159 T N 4.627 119.244 114.554 0.106 0.000 2.851 159 T HA 0.261 4.611 4.350 -0.000 0.000 0.298 159 T C 1.370 176.065 174.700 -0.008 0.000 0.977 159 T CA 0.027 62.219 62.100 0.153 0.000 1.126 159 T CB 0.461 69.444 68.868 0.192 0.000 0.916 159 T HN 0.501 nan 8.240 nan 0.000 0.529 160 L N 1.674 122.877 121.223 -0.034 0.000 2.362 160 L HA 0.426 4.766 4.340 -0.000 0.000 0.204 160 L C -0.367 176.063 176.870 -0.734 0.000 1.060 160 L CA 0.505 55.128 54.840 -0.362 0.000 0.827 160 L CB 0.308 42.236 42.059 -0.219 0.000 1.027 160 L HN 0.493 nan 8.230 nan 0.000 0.474 161 F N -0.175 119.817 119.950 0.071 0.000 2.596 161 F HA 0.540 5.067 4.527 -0.000 0.000 0.311 161 F C -0.338 175.495 175.800 0.055 0.000 1.116 161 F CA -0.873 57.136 58.000 0.016 0.000 0.957 161 F CB 1.852 40.832 39.000 -0.034 0.000 1.250 161 F HN -0.284 nan 8.300 nan 0.000 0.444 162 K N 3.261 123.736 120.400 0.125 0.000 2.561 162 K HA 0.550 4.870 4.320 -0.000 0.000 0.254 162 K C -1.758 174.809 176.600 -0.054 0.000 0.942 162 K CA -0.506 55.745 56.287 -0.060 0.000 0.818 162 K CB 2.362 34.628 32.500 -0.389 0.000 1.306 162 K HN 0.991 nan 8.250 nan 0.000 0.435 163 N N 0.853 119.522 118.700 -0.051 0.000 3.378 163 N HA 0.006 4.746 4.740 -0.000 0.000 0.294 163 N C 0.330 175.766 175.510 -0.123 0.000 1.544 163 N CA -0.833 52.172 53.050 -0.075 0.000 0.872 163 N CB 0.853 39.322 38.487 -0.029 0.000 1.670 163 N HN 0.555 nan 8.380 nan 0.000 0.551 164 Q N -0.326 119.331 119.800 -0.239 0.000 2.234 164 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 164 Q C 0.591 176.398 176.000 -0.321 0.000 0.980 164 Q CA 1.581 57.178 55.803 -0.344 0.000 0.869 164 Q CB -0.553 27.864 28.738 -0.536 0.000 0.912 164 Q HN 0.729 nan 8.270 nan 0.000 0.436 165 Y N 0.621 120.925 120.300 0.008 0.000 2.448 165 Y HA 0.309 4.859 4.550 -0.000 0.000 0.289 165 Y C 1.331 177.246 175.900 0.025 0.000 1.114 165 Y CA -0.012 58.100 58.100 0.019 0.000 1.235 165 Y CB 0.851 39.332 38.460 0.034 0.000 1.045 165 Y HN 0.261 nan 8.280 nan 0.000 0.554 166 G N -1.740 107.164 108.800 0.173 0.000 2.576 166 G HA2 0.382 4.342 3.960 -0.000 0.000 0.290 166 G HA3 0.382 4.342 3.960 -0.000 0.000 0.290 166 G C -2.404 172.617 174.900 0.202 0.000 1.442 166 G CA -0.513 44.673 45.100 0.144 0.000 0.792 166 G HN -0.004 nan 8.290 nan 0.000 0.491 167 H N -0.515 118.608 119.070 0.088 0.000 2.840 167 H HA 0.626 5.182 4.556 -0.000 0.000 0.340 167 H C -1.380 174.118 175.328 0.283 0.000 1.004 167 H CA -0.605 55.526 56.048 0.138 0.000 1.288 167 H CB 1.677 31.459 29.762 0.032 0.000 1.607 167 H HN 0.361 nan 8.280 nan 0.000 0.522 168 V N 7.224 127.525 119.914 0.645 0.000 2.409 168 V HA 0.574 4.694 4.120 -0.000 0.000 0.291 168 V C -0.014 176.280 176.094 0.333 0.000 1.020 168 V CA -0.710 61.895 62.300 0.507 0.000 0.848 168 V CB 1.439 33.568 31.823 0.510 0.000 0.990 168 V HN 0.805 nan 8.190 nan 0.000 0.430 169 R N 3.227 123.841 120.500 0.190 0.000 2.799 169 R HA 0.927 5.267 4.340 -0.000 0.000 0.270 169 R C -2.045 174.380 176.300 0.208 0.000 1.010 169 R CA -0.858 55.336 56.100 0.155 0.000 0.916 169 R CB 2.424 32.747 30.300 0.038 0.000 1.228 169 R HN 0.402 nan 8.270 nan 0.000 0.469 170 V N 2.039 122.064 119.914 0.184 0.000 2.709 170 V HA 0.416 4.536 4.120 -0.000 0.000 0.308 170 V C -0.963 175.102 176.094 -0.048 0.000 1.062 170 V CA -1.159 61.209 62.300 0.114 0.000 0.901 170 V CB 2.022 33.900 31.823 0.092 0.000 1.003 170 V HN 0.713 nan 8.190 nan 0.000 0.425 171 L N 6.128 127.161 121.223 -0.317 0.000 2.439 171 L HA 0.388 4.728 4.340 -0.000 0.000 0.269 171 L C 0.678 177.244 176.870 -0.506 0.000 1.179 171 L CA 0.511 54.892 54.840 -0.766 0.000 0.828 171 L CB 1.181 42.615 42.059 -1.043 0.000 1.106 171 L HN 0.885 nan 8.230 nan 0.000 0.467 172 Q N 3.606 123.147 119.800 -0.432 0.000 2.524 172 Q HA 0.157 4.497 4.340 -0.000 0.000 0.246 172 Q C -0.497 175.289 176.000 -0.356 0.000 1.063 172 Q CA -0.368 55.278 55.803 -0.260 0.000 0.945 172 Q CB 0.176 28.842 28.738 -0.120 0.000 1.292 172 Q HN 0.550 nan 8.270 nan 0.000 0.518 173 R N 0.506 120.890 120.500 -0.194 0.000 2.537 173 R HA -0.051 4.289 4.340 -0.000 0.000 0.281 173 R C 0.379 176.598 176.300 -0.135 0.000 0.988 173 R CA 0.002 56.011 56.100 -0.153 0.000 1.077 173 R CB 0.100 30.386 30.300 -0.024 0.000 0.932 173 R HN 0.609 nan 8.270 nan 0.000 0.409 174 F N 1.595 121.499 119.950 -0.078 0.000 2.250 174 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 174 F C 1.911 177.755 175.800 0.073 0.000 1.077 174 F CA 1.369 59.336 58.000 -0.056 0.000 1.348 174 F CB -0.138 38.807 39.000 -0.093 0.000 1.040 174 F HN 0.587 nan 8.300 nan 0.000 0.509 175 N N -0.010 118.814 118.700 0.205 0.000 2.321 175 N HA 0.004 4.744 4.740 -0.000 0.000 0.242 175 N C 1.224 176.778 175.510 0.073 0.000 1.141 175 N CA 0.008 53.134 53.050 0.126 0.000 0.864 175 N CB -0.116 38.431 38.487 0.099 0.000 1.100 175 N HN 0.306 nan 8.380 nan 0.000 0.510 176 K N 1.646 122.087 120.400 0.069 0.000 1.984 176 K HA -0.016 4.304 4.320 -0.000 0.000 0.209 176 K C 1.766 178.374 176.600 0.012 0.000 1.046 176 K CA 0.873 57.178 56.287 0.030 0.000 0.934 176 K CB 0.202 32.713 32.500 0.019 0.000 0.717 176 K HN 0.073 nan 8.250 nan 0.000 0.438 177 R N 0.188 120.691 120.500 0.004 0.000 2.065 177 R HA 0.002 4.342 4.340 -0.000 0.000 0.224 177 R C 1.309 177.585 176.300 -0.040 0.000 1.161 177 R CA 1.073 57.151 56.100 -0.037 0.000 0.923 177 R CB -0.419 29.828 30.300 -0.089 0.000 0.822 177 R HN 0.092 nan 8.270 nan 0.000 0.437 178 S N 0.197 115.864 115.700 -0.056 0.000 2.608 178 S HA 0.062 4.532 4.470 -0.000 0.000 0.291 178 S C 0.302 174.889 174.600 -0.020 0.000 1.146 178 S CA -0.807 57.357 58.200 -0.061 0.000 1.043 178 S CB 1.583 64.699 63.200 -0.140 0.000 1.037 178 S HN 0.347 nan 8.310 nan 0.000 0.520 179 Q N 2.205 121.999 119.800 -0.009 0.000 2.212 179 Q HA 0.252 4.592 4.340 -0.000 0.000 0.213 179 Q C 0.952 176.963 176.000 0.019 0.000 0.874 179 Q CA 0.068 55.879 55.803 0.014 0.000 0.965 179 Q CB -0.054 28.695 28.738 0.017 0.000 1.074 179 Q HN 0.765 nan 8.270 nan 0.000 0.473 180 Q N 0.434 120.233 119.800 -0.001 0.000 2.432 180 Q HA 0.154 4.494 4.340 -0.000 0.000 0.205 180 Q C 0.624 176.655 176.000 0.052 0.000 0.945 180 Q CA 0.450 56.268 55.803 0.025 0.000 0.924 180 Q CB 0.412 29.133 28.738 -0.029 0.000 1.016 180 Q HN 0.502 nan 8.270 nan 0.000 0.503 181 L N 0.231 121.480 121.223 0.044 0.000 3.141 181 L HA 0.181 4.521 4.340 -0.000 0.000 0.267 181 L C 1.183 178.079 176.870 0.043 0.000 1.281 181 L CA -0.134 54.735 54.840 0.047 0.000 1.037 181 L CB 0.368 42.484 42.059 0.094 0.000 1.407 181 L HN 0.129 nan 8.230 nan 0.000 0.566 182 Q N 0.390 120.214 119.800 0.040 0.000 2.152 182 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 182 Q C 0.947 176.973 176.000 0.043 0.000 0.985 182 Q CA 1.353 57.183 55.803 0.044 0.000 0.863 182 Q CB 0.046 28.805 28.738 0.036 0.000 0.904 182 Q HN 0.509 nan 8.270 nan 0.000 0.422 183 N N -0.068 118.647 118.700 0.024 0.000 2.421 183 N HA 0.044 4.784 4.740 -0.000 0.000 0.201 183 N C 0.520 176.058 175.510 0.046 0.000 1.198 183 N CA 0.475 53.544 53.050 0.031 0.000 0.838 183 N CB 0.299 38.794 38.487 0.013 0.000 1.011 183 N HN 0.239 nan 8.380 nan 0.000 0.463 184 L N -0.064 121.182 121.223 0.038 0.000 2.858 184 L HA 0.196 4.536 4.340 -0.000 0.000 0.251 184 L C 1.902 178.908 176.870 0.227 0.000 1.149 184 L CA -0.052 54.814 54.840 0.044 0.000 0.955 184 L CB 0.312 42.176 42.059 -0.325 0.000 1.289 184 L HN 0.119 nan 8.230 nan 0.000 0.542 185 R N -0.712 119.884 120.500 0.160 0.000 2.159 185 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 185 R C 0.627 176.985 176.300 0.097 0.000 1.131 185 R CA 1.655 57.837 56.100 0.137 0.000 0.982 185 R CB -0.411 29.936 30.300 0.079 0.000 0.868 185 R HN 0.184 nan 8.270 nan 0.000 0.453 186 D N -0.355 120.064 120.400 0.031 0.000 2.347 186 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 186 D C -0.292 175.825 176.300 -0.305 0.000 0.985 186 D CA 0.714 54.605 54.000 -0.182 0.000 0.879 186 D CB 0.049 40.633 40.800 -0.360 0.000 0.919 186 D HN 0.243 nan 8.370 nan 0.000 0.526 187 Y N -0.024 120.311 120.300 0.058 0.000 2.457 187 Y HA 0.554 5.104 4.550 -0.000 0.000 0.333 187 Y C 0.856 176.848 175.900 0.152 0.000 1.119 187 Y CA -0.848 57.295 58.100 0.073 0.000 1.143 187 Y CB 1.327 39.812 38.460 0.041 0.000 1.230 187 Y HN -0.448 nan 8.280 nan 0.000 0.469 188 R N 1.804 122.414 120.500 0.182 0.000 2.698 188 R HA 0.493 4.833 4.340 -0.000 0.000 0.275 188 R C -1.714 174.544 176.300 -0.070 0.000 1.001 188 R CA -0.865 55.227 56.100 -0.012 0.000 0.896 188 R CB 2.283 32.589 30.300 0.011 0.000 1.218 188 R HN 0.571 nan 8.270 nan 0.000 0.462 189 I N 3.327 123.781 120.570 -0.194 0.000 2.354 189 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 189 I C 0.062 176.142 176.117 -0.062 0.000 0.989 189 I CA -0.650 60.551 61.300 -0.165 0.000 1.188 189 I CB 1.402 39.292 38.000 -0.183 0.000 1.342 189 I HN 0.334 nan 8.210 nan 0.000 0.457 190 L N 5.690 126.897 121.223 -0.027 0.000 2.329 190 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 190 L C 0.020 176.957 176.870 0.111 0.000 1.014 190 L CA -0.451 54.433 54.840 0.073 0.000 0.814 190 L CB 2.152 44.231 42.059 0.032 0.000 1.257 190 L HN 0.587 nan 8.230 nan 0.000 0.424 191 E N 3.220 123.527 120.200 0.179 0.000 2.210 191 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 191 E C -1.951 174.785 176.600 0.228 0.000 0.883 191 E CA -0.563 55.930 56.400 0.156 0.000 0.761 191 E CB 2.174 31.924 29.700 0.083 0.000 1.156 191 E HN 0.430 nan 8.360 nan 0.000 0.412 192 F N 3.643 123.615 119.950 0.037 0.000 2.547 192 F HA 0.508 5.035 4.527 -0.000 0.000 0.316 192 F C -1.391 174.438 175.800 0.048 0.000 1.121 192 F CA -0.685 57.357 58.000 0.070 0.000 0.911 192 F CB 1.565 40.638 39.000 0.121 0.000 1.179 192 F HN 0.422 nan 8.300 nan 0.000 0.443 193 N N 2.805 121.148 118.700 -0.596 0.000 2.371 193 N HA 0.528 5.268 4.740 -0.000 0.000 0.291 193 N C -1.698 173.392 175.510 -0.700 0.000 1.053 193 N CA -0.698 52.041 53.050 -0.518 0.000 0.870 193 N CB 2.280 40.640 38.487 -0.212 0.000 1.503 193 N HN 0.582 nan 8.380 nan 0.000 0.485 194 S N 0.647 116.007 115.700 -0.566 0.000 2.564 194 S HA 0.573 5.043 4.470 -0.000 0.000 0.274 194 S C -0.912 173.630 174.600 -0.098 0.000 1.124 194 S CA -1.034 56.975 58.200 -0.318 0.000 0.869 194 S CB 1.834 64.849 63.200 -0.309 0.000 1.105 194 S HN 0.132 nan 8.310 nan 0.000 0.472 195 K N 0.719 121.127 120.400 0.014 0.000 2.120 195 K HA 0.471 4.791 4.320 -0.000 0.000 0.245 195 K C -2.707 173.923 176.600 0.051 0.000 1.024 195 K CA -2.121 54.196 56.287 0.050 0.000 0.906 195 K CB -0.291 32.284 32.500 0.125 0.000 1.051 195 K HN 0.410 nan 8.250 nan 0.000 0.491 196 P HA -0.019 nan 4.420 nan 0.000 0.268 196 P C -0.626 176.692 177.300 0.030 0.000 1.208 196 P CA 0.360 63.481 63.100 0.035 0.000 0.777 196 P CB 0.164 31.882 31.700 0.030 0.000 0.875 197 N N -1.318 117.394 118.700 0.019 0.000 2.727 197 N HA -0.128 4.612 4.740 -0.000 0.000 0.251 197 N C -0.481 175.001 175.510 -0.047 0.000 1.040 197 N CA 0.618 53.664 53.050 -0.006 0.000 0.712 197 N CB -1.152 37.325 38.487 -0.017 0.000 0.912 197 N HN 0.586 nan 8.380 nan 0.000 0.545 198 T N -2.177 112.373 114.554 -0.007 0.000 2.916 198 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 198 T C -0.570 174.165 174.700 0.057 0.000 1.064 198 T CA -1.000 61.084 62.100 -0.027 0.000 1.011 198 T CB 2.781 71.668 68.868 0.032 0.000 1.152 198 T HN 0.156 nan 8.240 nan 0.000 0.510 199 L N 1.560 122.814 121.223 0.051 0.000 2.409 199 L HA 0.735 5.075 4.340 -0.000 0.000 0.272 199 L C -1.563 175.386 176.870 0.131 0.000 0.980 199 L CA -1.075 53.824 54.840 0.098 0.000 0.826 199 L CB 1.723 43.788 42.059 0.010 0.000 1.268 199 L HN 0.807 nan 8.230 nan 0.000 0.407 200 L N 5.771 127.109 121.223 0.191 0.000 2.260 200 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 200 L C -0.640 176.319 176.870 0.149 0.000 1.057 200 L CA 0.014 54.931 54.840 0.128 0.000 0.811 200 L CB 0.558 42.602 42.059 -0.024 0.000 1.184 200 L HN 0.652 nan 8.230 nan 0.000 0.429 201 L N 7.204 128.506 121.223 0.131 0.000 2.499 201 L HA 0.196 4.536 4.340 -0.000 0.000 0.281 201 L C -1.675 175.362 176.870 0.279 0.000 1.234 201 L CA -1.615 53.321 54.840 0.161 0.000 0.839 201 L CB -0.192 41.936 42.059 0.115 0.000 1.104 201 L HN 0.550 nan 8.230 nan 0.000 0.500 202 P HA -0.022 nan 4.420 nan 0.000 0.262 202 P C -1.040 176.328 177.300 0.112 0.000 1.182 202 P CA 0.705 63.901 63.100 0.161 0.000 0.761 202 P CB 0.273 32.072 31.700 0.165 0.000 0.795 203 H N 0.937 119.839 119.070 -0.280 0.000 2.950 203 H HA 0.417 4.973 4.556 -0.000 0.000 0.307 203 H C -1.049 174.186 175.328 -0.155 0.000 1.403 203 H CA -0.739 55.097 56.048 -0.352 0.000 1.145 203 H CB 1.166 30.209 29.762 -1.199 0.000 1.844 203 H HN 0.641 nan 8.280 nan 0.000 0.515 204 H N 0.631 119.650 119.070 -0.086 0.000 2.907 204 H HA 0.878 5.434 4.556 -0.000 0.000 0.361 204 H C -1.490 173.897 175.328 0.097 0.000 1.194 204 H CA -0.735 55.277 56.048 -0.059 0.000 1.152 204 H CB 2.050 31.771 29.762 -0.068 0.000 1.867 204 H HN 0.875 nan 8.280 nan 0.000 0.561 205 A N 1.099 123.953 122.820 0.057 0.000 2.435 205 A HA 0.281 4.601 4.320 -0.000 0.000 0.304 205 A C -0.737 176.889 177.584 0.070 0.000 1.064 205 A CA -0.535 51.570 52.037 0.113 0.000 0.727 205 A CB 1.216 20.262 19.000 0.076 0.000 1.284 205 A HN 0.806 nan 8.150 nan 0.000 0.415 206 D N 0.741 121.260 120.400 0.199 0.000 2.994 206 D HA 0.487 5.127 4.640 -0.000 0.000 0.240 206 D C -0.092 176.234 176.300 0.044 0.000 1.195 206 D CA 0.446 54.509 54.000 0.105 0.000 0.957 206 D CB 0.072 40.968 40.800 0.160 0.000 1.105 206 D HN 0.838 nan 8.370 nan 0.000 0.477 207 A N 0.494 123.250 122.820 -0.105 0.000 2.566 207 A HA 0.375 4.695 4.320 -0.000 0.000 0.297 207 A C -1.216 176.211 177.584 -0.262 0.000 1.059 207 A CA -0.953 50.968 52.037 -0.193 0.000 0.691 207 A CB 1.632 20.441 19.000 -0.319 0.000 1.282 207 A HN 0.095 nan 8.150 nan 0.000 0.401 208 D N 0.795 121.117 120.400 -0.129 0.000 2.389 208 D HA 0.352 4.991 4.640 -0.000 0.000 0.247 208 D C -0.908 175.466 176.300 0.123 0.000 1.128 208 D CA 0.992 54.958 54.000 -0.057 0.000 0.884 208 D CB 0.233 41.016 40.800 -0.029 0.000 1.194 208 D HN 0.411 nan 8.370 nan 0.000 0.441 209 Y N 2.323 122.582 120.300 -0.068 0.000 2.409 209 Y HA 0.380 4.930 4.550 -0.000 0.000 0.343 209 Y C -0.212 175.667 175.900 -0.034 0.000 0.973 209 Y CA -1.435 56.625 58.100 -0.067 0.000 1.064 209 Y CB 2.040 40.436 38.460 -0.106 0.000 1.207 209 Y HN 0.181 nan 8.280 nan 0.000 0.452 210 L N 5.956 127.251 121.223 0.120 0.000 2.388 210 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 210 L C -1.245 175.672 176.870 0.078 0.000 0.995 210 L CA -0.398 54.510 54.840 0.115 0.000 0.864 210 L CB 0.506 42.678 42.059 0.188 0.000 1.216 210 L HN 0.438 nan 8.230 nan 0.000 0.430 211 I N 5.139 125.715 120.570 0.011 0.000 2.365 211 I HA 0.510 4.680 4.170 -0.000 0.000 0.291 211 I C -0.575 175.524 176.117 -0.030 0.000 1.004 211 I CA -0.822 60.467 61.300 -0.018 0.000 1.311 211 I CB 1.611 39.572 38.000 -0.064 0.000 1.401 211 I HN 0.230 nan 8.210 nan 0.000 0.491 212 V N 6.582 126.496 119.914 -0.000 0.000 2.577 212 V HA 0.377 4.497 4.120 -0.000 0.000 0.303 212 V C -0.098 175.926 176.094 -0.116 0.000 1.042 212 V CA -0.667 61.586 62.300 -0.079 0.000 0.872 212 V CB 2.195 33.961 31.823 -0.094 0.000 0.998 212 V HN 0.407 nan 8.190 nan 0.000 0.423 213 I N 5.488 125.985 120.570 -0.123 0.000 2.337 213 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 213 I C 0.984 176.978 176.117 -0.204 0.000 1.046 213 I CA 0.249 61.484 61.300 -0.109 0.000 1.324 213 I CB 1.188 39.160 38.000 -0.047 0.000 1.409 213 I HN 0.598 nan 8.210 nan 0.000 0.494 214 L N 5.207 126.264 121.223 -0.277 0.000 2.145 214 L HA 0.128 4.468 4.340 -0.000 0.000 0.201 214 L C 0.454 177.273 176.870 -0.086 0.000 1.075 214 L CA 0.813 55.426 54.840 -0.378 0.000 0.773 214 L CB -0.075 41.725 42.059 -0.431 0.000 0.936 214 L HN 0.592 nan 8.230 nan 0.000 0.451 215 N N -0.635 118.029 118.700 -0.060 0.000 2.235 215 N HA 0.495 5.235 4.740 -0.000 0.000 0.293 215 N C -0.026 175.478 175.510 -0.010 0.000 1.083 215 N CA 0.629 53.671 53.050 -0.015 0.000 0.801 215 N CB 2.492 40.972 38.487 -0.012 0.000 1.559 215 N HN 0.248 nan 8.380 nan 0.000 0.472 216 G N 0.454 109.255 108.800 0.002 0.000 2.584 216 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.229 216 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.229 216 G C -1.040 173.869 174.900 0.016 0.000 1.320 216 G CA -0.387 44.718 45.100 0.008 0.000 0.891 216 G HN 0.614 nan 8.290 nan 0.000 0.573 217 T N 0.225 114.795 114.554 0.027 0.000 2.893 217 T HA 0.878 5.228 4.350 -0.000 0.000 0.291 217 T C 0.045 174.782 174.700 0.062 0.000 1.028 217 T CA 0.585 62.708 62.100 0.038 0.000 0.995 217 T CB 1.778 70.668 68.868 0.036 0.000 1.051 217 T HN 2.113 nan 8.240 nan 0.000 0.470 218 A N 2.191 125.056 122.820 0.075 0.000 2.549 218 A HA 0.764 5.084 4.320 -0.000 0.000 0.297 218 A C -1.490 176.161 177.584 0.111 0.000 1.061 218 A CA -0.700 51.403 52.037 0.110 0.000 0.690 218 A CB 1.128 20.209 19.000 0.135 0.000 1.287 218 A HN 0.667 nan 8.150 nan 0.000 0.402 219 I N 2.604 123.252 120.570 0.129 0.000 2.328 219 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 219 I C -0.417 175.774 176.117 0.124 0.000 1.012 219 I CA -0.209 61.162 61.300 0.118 0.000 1.195 219 I CB 0.892 38.965 38.000 0.121 0.000 1.350 219 I HN 0.622 nan 8.210 nan 0.000 0.464 220 L N 6.836 128.127 121.223 0.113 0.000 2.287 220 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 220 L C -0.474 176.398 176.870 0.002 0.000 1.022 220 L CA -0.037 54.861 54.840 0.097 0.000 0.814 220 L CB 1.253 43.390 42.059 0.130 0.000 1.217 220 L HN 0.539 nan 8.230 nan 0.000 0.420 221 T N 6.136 120.539 114.554 -0.252 0.000 2.791 221 T HA 0.431 4.781 4.350 -0.000 0.000 0.288 221 T C -0.146 174.377 174.700 -0.295 0.000 0.999 221 T CA -0.379 61.481 62.100 -0.400 0.000 0.952 221 T CB 0.954 69.335 68.868 -0.812 0.000 0.938 221 T HN 0.394 nan 8.240 nan 0.000 0.444 222 L N 3.432 124.610 121.223 -0.076 0.000 2.281 222 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 222 L C -0.147 176.722 176.870 -0.001 0.000 1.074 222 L CA -0.886 53.962 54.840 0.013 0.000 0.817 222 L CB 0.793 42.896 42.059 0.074 0.000 1.168 222 L HN 0.326 nan 8.230 nan 0.000 0.434 223 V N 3.997 123.933 119.914 0.037 0.000 2.294 223 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 223 V C 0.278 176.400 176.094 0.046 0.000 1.027 223 V CA -0.730 61.606 62.300 0.059 0.000 0.823 223 V CB 0.670 32.565 31.823 0.121 0.000 1.030 223 V HN 0.708 nan 8.190 nan 0.000 0.457 224 N N 3.325 122.042 118.700 0.028 0.000 2.405 224 N HA 0.146 4.886 4.740 -0.000 0.000 0.269 224 N C 1.265 176.784 175.510 0.015 0.000 1.249 224 N CA -0.229 52.829 53.050 0.014 0.000 0.974 224 N CB 0.681 39.172 38.487 0.007 0.000 1.204 224 N HN 0.750 nan 8.380 nan 0.000 0.565 225 N N -0.722 117.980 118.700 0.002 0.000 2.459 225 N HA -0.143 4.597 4.740 -0.000 0.000 0.181 225 N C -0.539 174.975 175.510 0.007 0.000 1.046 225 N CA 0.840 53.893 53.050 0.005 0.000 0.904 225 N CB -0.045 38.437 38.487 -0.008 0.000 0.964 225 N HN 0.489 nan 8.380 nan 0.000 0.444 226 D N -0.972 119.430 120.400 0.004 0.000 2.556 226 D HA 0.108 4.748 4.640 -0.000 0.000 0.237 226 D C -0.469 175.832 176.300 0.001 0.000 1.296 226 D CA -0.387 53.614 54.000 0.002 0.000 0.807 226 D CB 0.274 41.072 40.800 -0.003 0.000 1.084 226 D HN 0.365 nan 8.370 nan 0.000 0.510 227 D N -1.221 119.182 120.400 0.004 0.000 2.827 227 D HA 0.267 4.907 4.640 -0.000 0.000 0.336 227 D C -1.024 175.277 176.300 0.002 0.000 1.374 227 D CA -0.654 53.345 54.000 -0.002 0.000 0.794 227 D CB 0.838 41.630 40.800 -0.013 0.000 1.364 227 D HN -0.024 nan 8.370 nan 0.000 0.464 228 R N -0.815 119.678 120.500 -0.012 0.000 2.867 228 R HA 0.678 5.018 4.340 -0.000 0.000 0.268 228 R C -1.244 175.017 176.300 -0.064 0.000 1.014 228 R CA -0.943 55.145 56.100 -0.020 0.000 0.946 228 R CB 1.696 31.994 30.300 -0.003 0.000 1.208 228 R HN 0.382 nan 8.270 nan 0.000 0.477 229 D N 1.136 121.476 120.400 -0.100 0.000 2.602 229 D HA 0.182 4.822 4.640 -0.000 0.000 0.245 229 D C -1.095 174.971 176.300 -0.390 0.000 1.325 229 D CA -0.251 53.606 54.000 -0.239 0.000 0.952 229 D CB 2.159 42.900 40.800 -0.099 0.000 1.317 229 D HN 0.550 nan 8.370 nan 0.000 0.577 230 S N 1.235 116.629 115.700 -0.510 0.000 2.503 230 S HA 0.762 5.232 4.470 -0.000 0.000 0.301 230 S C -0.927 173.305 174.600 -0.614 0.000 1.087 230 S CA -0.665 57.297 58.200 -0.397 0.000 1.042 230 S CB 1.447 64.556 63.200 -0.152 0.000 1.043 230 S HN 0.308 nan 8.310 nan 0.000 0.489 231 Y N 0.778 121.077 120.300 -0.003 0.000 2.442 231 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 231 Y C 0.149 176.057 175.900 0.013 0.000 0.976 231 Y CA -1.037 57.067 58.100 0.007 0.000 1.040 231 Y CB 1.619 40.077 38.460 -0.004 0.000 1.228 231 Y HN 0.734 nan 8.280 nan 0.000 0.451 232 N N 4.341 123.137 118.700 0.160 0.000 2.437 232 N HA 0.296 5.035 4.740 -0.000 0.000 0.243 232 N C -1.659 173.908 175.510 0.094 0.000 1.041 232 N CA -0.007 53.103 53.050 0.101 0.000 0.940 232 N CB 0.338 38.865 38.487 0.067 0.000 1.133 232 N HN 0.713 nan 8.380 nan 0.000 0.506 233 L N 2.420 123.690 121.223 0.079 0.000 2.317 233 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 233 L C 0.456 177.342 176.870 0.025 0.000 1.024 233 L CA -0.652 54.211 54.840 0.039 0.000 0.810 233 L CB 1.812 43.885 42.059 0.023 0.000 1.240 233 L HN 0.358 nan 8.230 nan 0.000 0.427 234 Q N 0.504 120.307 119.800 0.005 0.000 2.633 234 Q HA 0.350 4.690 4.340 -0.000 0.000 0.292 234 Q C -0.549 175.445 176.000 -0.010 0.000 1.089 234 Q CA -0.923 54.881 55.803 0.002 0.000 0.811 234 Q CB 2.259 30.999 28.738 0.003 0.000 1.472 234 Q HN 0.588 nan 8.270 nan 0.000 0.464 235 S N -0.465 115.234 115.700 -0.002 0.000 2.784 235 S HA 0.127 4.597 4.470 -0.000 0.000 0.322 235 S C 0.975 175.584 174.600 0.015 0.000 1.234 235 S CA 1.573 59.781 58.200 0.013 0.000 1.064 235 S CB -0.682 62.532 63.200 0.024 0.000 0.787 235 S HN 0.869 nan 8.310 nan 0.000 0.506 236 G N 4.264 113.102 108.800 0.063 0.000 2.217 236 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.246 236 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.246 236 G C -0.228 174.648 174.900 -0.040 0.000 0.990 236 G CA 0.111 45.252 45.100 0.070 0.000 0.627 236 G HN 0.686 nan 8.290 nan 0.000 0.522 237 D N 1.270 121.620 120.400 -0.083 0.000 2.345 237 D HA 0.648 5.288 4.640 -0.000 0.000 0.247 237 D C 0.519 176.658 176.300 -0.267 0.000 1.108 237 D CA 1.120 55.016 54.000 -0.173 0.000 0.894 237 D CB 1.467 42.196 40.800 -0.118 0.000 1.203 237 D HN 0.835 nan 8.370 nan 0.000 0.430 238 A N 1.760 124.266 122.820 -0.523 0.000 2.435 238 A HA 0.701 5.021 4.320 -0.000 0.000 0.304 238 A C -1.487 175.736 177.584 -0.602 0.000 1.064 238 A CA -0.609 51.076 52.037 -0.586 0.000 0.727 238 A CB 1.348 19.876 19.000 -0.787 0.000 1.284 238 A HN 0.395 nan 8.150 nan 0.000 0.415 239 L N 1.316 122.353 121.223 -0.309 0.000 2.505 239 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 239 L C -0.488 176.335 176.870 -0.078 0.000 0.954 239 L CA -0.356 54.361 54.840 -0.205 0.000 0.852 239 L CB 1.856 43.760 42.059 -0.258 0.000 1.282 239 L HN 0.752 nan 8.230 nan 0.000 0.403 240 R N 4.148 124.650 120.500 0.003 0.000 2.234 240 R HA 0.564 4.904 4.340 -0.000 0.000 0.324 240 R C -1.750 174.541 176.300 -0.014 0.000 1.054 240 R CA -0.293 55.832 56.100 0.041 0.000 0.912 240 R CB 0.895 31.250 30.300 0.092 0.000 1.030 240 R HN 0.501 nan 8.270 nan 0.000 0.455 241 V N 8.510 128.417 119.914 -0.012 0.000 2.350 241 V HA 0.304 4.424 4.120 -0.000 0.000 0.285 241 V C -2.086 173.971 176.094 -0.062 0.000 1.014 241 V CA -2.124 60.135 62.300 -0.069 0.000 0.831 241 V CB 1.656 33.377 31.823 -0.170 0.000 1.000 241 V HN 0.704 nan 8.190 nan 0.000 0.433 242 P HA 0.132 nan 4.420 nan 0.000 0.267 242 P C -0.045 177.182 177.300 -0.122 0.000 1.200 242 P CA 0.132 63.190 63.100 -0.070 0.000 0.772 242 P CB 0.528 32.198 31.700 -0.050 0.000 0.855 243 A N 2.683 125.426 122.820 -0.129 0.000 2.531 243 A HA 0.409 4.729 4.320 -0.000 0.000 0.236 243 A C 1.514 179.028 177.584 -0.117 0.000 1.062 243 A CA 0.724 52.667 52.037 -0.157 0.000 0.760 243 A CB -1.362 17.567 19.000 -0.120 0.000 0.995 243 A HN 0.891 nan 8.150 nan 0.000 0.501 244 G N 1.455 110.201 108.800 -0.090 0.000 2.148 244 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 244 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 244 G C 0.318 175.136 174.900 -0.136 0.000 0.981 244 G CA 0.556 45.584 45.100 -0.121 0.000 0.670 244 G HN 1.259 nan 8.290 nan 0.000 0.528 245 T N 2.094 116.613 114.554 -0.058 0.000 2.728 245 T HA 0.510 4.860 4.350 -0.000 0.000 0.296 245 T C 0.568 175.328 174.700 0.099 0.000 0.940 245 T CA 0.273 62.364 62.100 -0.015 0.000 1.013 245 T CB 1.344 70.193 68.868 -0.032 0.000 0.912 245 T HN 0.216 nan 8.240 nan 0.000 0.484 246 T N 4.992 119.592 114.554 0.077 0.000 2.870 246 T HA 0.420 4.770 4.350 -0.000 0.000 0.300 246 T C -0.505 174.288 174.700 0.154 0.000 0.989 246 T CA 0.004 62.172 62.100 0.114 0.000 1.139 246 T CB -0.215 68.716 68.868 0.106 0.000 0.920 246 T HN 0.646 nan 8.240 nan 0.000 0.537 247 Y N 1.109 121.338 120.300 -0.118 0.000 2.689 247 Y HA 0.672 5.222 4.550 -0.000 0.000 0.333 247 Y C -1.557 174.327 175.900 -0.026 0.000 1.208 247 Y CA -2.226 55.798 58.100 -0.126 0.000 1.055 247 Y CB 0.984 39.353 38.460 -0.152 0.000 1.304 247 Y HN 0.713 nan 8.280 nan 0.000 0.455 248 Y N -0.749 119.551 120.300 0.000 0.000 2.588 248 Y HA 0.891 5.441 4.550 -0.000 0.000 0.343 248 Y C -2.089 173.906 175.900 0.158 0.000 1.065 248 Y CA -1.819 56.275 58.100 -0.010 0.000 1.038 248 Y CB 1.757 40.234 38.460 0.029 0.000 1.297 248 Y HN 0.554 nan 8.280 nan 0.000 0.467 249 V N 2.680 122.814 119.914 0.366 0.000 2.588 249 V HA 0.586 4.706 4.120 -0.000 0.000 0.304 249 V C -0.806 175.490 176.094 0.337 0.000 1.042 249 V CA -0.857 61.639 62.300 0.327 0.000 0.877 249 V CB 1.566 33.578 31.823 0.314 0.000 0.996 249 V HN 0.754 nan 8.190 nan 0.000 0.425 250 V N 3.626 123.716 119.914 0.293 0.000 2.513 250 V HA 0.421 4.541 4.120 -0.000 0.000 0.299 250 V C 0.033 176.237 176.094 0.183 0.000 1.035 250 V CA -0.661 61.774 62.300 0.225 0.000 0.889 250 V CB 1.857 33.800 31.823 0.200 0.000 0.988 250 V HN 0.958 nan 8.190 nan 0.000 0.440 251 N N 5.932 124.721 118.700 0.149 0.000 2.527 251 N HA 0.327 5.067 4.740 -0.000 0.000 0.236 251 N C -1.792 173.763 175.510 0.075 0.000 0.999 251 N CA -1.646 51.469 53.050 0.109 0.000 0.935 251 N CB 1.759 40.298 38.487 0.087 0.000 1.132 251 N HN 0.411 nan 8.380 nan 0.000 0.511 252 P HA 0.024 nan 4.420 nan 0.000 0.245 252 P C -0.227 177.094 177.300 0.034 0.000 1.206 252 P CA 0.312 63.441 63.100 0.049 0.000 0.781 252 P CB 0.303 32.034 31.700 0.051 0.000 0.994 253 D N 0.145 120.565 120.400 0.034 0.000 2.362 253 D HA 0.068 4.708 4.640 -0.000 0.000 0.242 253 D C 1.005 177.317 176.300 0.021 0.000 1.132 253 D CA 0.105 54.120 54.000 0.025 0.000 0.907 253 D CB 0.398 41.211 40.800 0.023 0.000 1.195 253 D HN -0.099 nan 8.370 nan 0.000 0.429 254 N N 0.747 119.458 118.700 0.017 0.000 2.392 254 N HA 0.051 4.791 4.740 -0.000 0.000 0.177 254 N C -0.145 175.375 175.510 0.017 0.000 1.066 254 N CA 0.337 53.396 53.050 0.016 0.000 0.895 254 N CB 0.602 39.096 38.487 0.013 0.000 0.988 254 N HN 0.410 nan 8.380 nan 0.000 0.457 255 D N -0.628 119.782 120.400 0.016 0.000 2.318 255 D HA 0.076 4.716 4.640 -0.000 0.000 0.294 255 D C -0.256 176.052 176.300 0.013 0.000 1.091 255 D CA -0.014 53.995 54.000 0.014 0.000 0.883 255 D CB 0.612 41.419 40.800 0.012 0.000 1.545 255 D HN 0.027 nan 8.370 nan 0.000 0.513 256 E N 1.636 121.843 120.200 0.012 0.000 2.289 256 E HA 0.211 4.561 4.350 -0.000 0.000 0.278 256 E C -0.392 176.211 176.600 0.005 0.000 1.032 256 E CA -0.417 55.988 56.400 0.008 0.000 0.854 256 E CB 0.777 30.482 29.700 0.009 0.000 1.046 256 E HN 0.112 nan 8.360 nan 0.000 0.409 257 N N 2.071 120.768 118.700 -0.005 0.000 2.503 257 N HA 0.152 4.892 4.740 -0.000 0.000 0.267 257 N C -0.545 174.946 175.510 -0.031 0.000 1.214 257 N CA -0.322 52.715 53.050 -0.022 0.000 0.959 257 N CB 0.765 39.233 38.487 -0.033 0.000 1.142 257 N HN 0.265 nan 8.380 nan 0.000 0.455 258 L N 0.854 122.042 121.223 -0.058 0.000 2.322 258 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 258 L C -0.137 176.669 176.870 -0.107 0.000 1.036 258 L CA -0.385 54.425 54.840 -0.051 0.000 0.807 258 L CB 0.919 42.974 42.059 -0.006 0.000 1.226 258 L HN 0.521 nan 8.230 nan 0.000 0.433 259 R N 5.815 126.277 120.500 -0.063 0.000 2.502 259 R HA 0.650 4.990 4.340 -0.000 0.000 0.298 259 R C -1.769 174.514 176.300 -0.030 0.000 1.018 259 R CA -0.499 55.558 56.100 -0.071 0.000 0.899 259 R CB 1.083 31.339 30.300 -0.073 0.000 1.181 259 R HN 0.818 nan 8.270 nan 0.000 0.444 260 M N 5.110 124.738 119.600 0.046 0.000 2.535 260 M HA 0.517 4.997 4.480 -0.000 0.000 0.314 260 M C -0.743 175.603 176.300 0.077 0.000 1.153 260 M CA -1.090 54.254 55.300 0.072 0.000 0.924 260 M CB 2.225 34.938 32.600 0.187 0.000 1.710 260 M HN 0.329 nan 8.290 nan 0.000 0.451 261 I N 1.443 122.043 120.570 0.049 0.000 2.509 261 I HA 0.498 4.668 4.170 -0.000 0.000 0.293 261 I C -0.491 175.675 176.117 0.082 0.000 1.020 261 I CA -0.330 61.026 61.300 0.093 0.000 1.088 261 I CB 2.263 40.367 38.000 0.173 0.000 1.267 261 I HN 0.655 nan 8.210 nan 0.000 0.430 262 T N 6.282 120.816 114.554 -0.034 0.000 2.841 262 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 262 T C -0.575 173.956 174.700 -0.282 0.000 0.991 262 T CA -0.410 61.588 62.100 -0.170 0.000 0.966 262 T CB 1.816 70.455 68.868 -0.380 0.000 0.962 262 T HN 0.301 nan 8.240 nan 0.000 0.438 263 L N 4.074 125.121 121.223 -0.294 0.000 2.265 263 L HA 0.775 5.115 4.340 -0.000 0.000 0.288 263 L C -0.124 176.673 176.870 -0.122 0.000 1.058 263 L CA -0.142 54.507 54.840 -0.318 0.000 0.809 263 L CB -0.007 41.841 42.059 -0.351 0.000 1.179 263 L HN 0.769 nan 8.230 nan 0.000 0.429 264 A N 6.200 128.958 122.820 -0.104 0.000 2.340 264 A HA 0.822 5.142 4.320 -0.000 0.000 0.331 264 A C -0.703 176.821 177.584 -0.100 0.000 1.140 264 A CA -0.523 51.471 52.037 -0.071 0.000 0.801 264 A CB 0.848 19.697 19.000 -0.253 0.000 1.234 264 A HN 0.682 nan 8.150 nan 0.000 0.469 265 I N 2.584 123.077 120.570 -0.127 0.000 2.563 265 I HA 0.249 4.418 4.170 -0.000 0.000 0.276 265 I C -2.579 173.415 176.117 -0.205 0.000 1.074 265 I CA -1.812 59.350 61.300 -0.231 0.000 1.124 265 I CB 1.765 39.621 38.000 -0.239 0.000 1.225 265 I HN 0.356 nan 8.210 nan 0.000 0.482 266 P HA -0.022 nan 4.420 nan 0.000 0.266 266 P C 0.802 178.061 177.300 -0.069 0.000 1.193 266 P CA 0.123 63.155 63.100 -0.114 0.000 0.770 266 P CB 1.178 32.869 31.700 -0.015 0.000 0.836 267 V N 2.489 122.388 119.914 -0.024 0.000 2.672 267 V HA -0.069 4.051 4.120 -0.000 0.000 0.242 267 V C 1.531 177.625 176.094 -0.001 0.000 1.059 267 V CA 1.621 63.906 62.300 -0.024 0.000 1.081 267 V CB -0.980 30.828 31.823 -0.024 0.000 0.752 267 V HN 0.490 nan 8.190 nan 0.000 0.472 268 N N -0.293 118.426 118.700 0.031 0.000 2.376 268 N HA 0.058 4.797 4.740 -0.000 0.000 0.177 268 N C 0.269 175.799 175.510 0.034 0.000 1.024 268 N CA 0.649 53.720 53.050 0.035 0.000 0.893 268 N CB 0.245 38.767 38.487 0.057 0.000 0.980 268 N HN 0.413 nan 8.380 nan 0.000 0.439 269 K N -0.002 120.425 120.400 0.044 0.000 2.498 269 K HA 0.362 4.682 4.320 -0.000 0.000 0.254 269 K C -2.957 173.662 176.600 0.030 0.000 0.933 269 K CA -2.001 54.309 56.287 0.038 0.000 0.806 269 K CB 2.588 35.120 32.500 0.053 0.000 1.301 269 K HN -0.284 nan 8.250 nan 0.000 0.432 270 P HA -0.000 nan 4.420 nan 0.000 0.264 270 P C 0.462 177.778 177.300 0.027 0.000 1.229 270 P CA 0.876 63.976 63.100 0.001 0.000 0.780 270 P CB 0.345 32.047 31.700 0.003 0.000 0.808 271 G N 2.938 111.749 108.800 0.019 0.000 2.166 271 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 271 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 271 G C 0.120 175.117 174.900 0.161 0.000 0.986 271 G CA -0.133 45.007 45.100 0.067 0.000 0.683 271 G HN 0.542 nan 8.290 nan 0.000 0.527 272 R N -0.797 119.818 120.500 0.191 0.000 2.561 272 R HA 0.750 5.090 4.340 -0.000 0.000 0.297 272 R C -0.193 176.330 176.300 0.371 0.000 0.969 272 R CA -0.550 55.694 56.100 0.239 0.000 0.879 272 R CB 1.441 31.804 30.300 0.105 0.000 1.178 272 R HN 0.570 nan 8.270 nan 0.000 0.445 273 F N -1.240 118.732 119.950 0.037 0.000 2.817 273 F HA 0.663 5.190 4.527 -0.000 0.000 0.317 273 F C -1.512 174.326 175.800 0.064 0.000 1.168 273 F CA -1.247 56.794 58.000 0.068 0.000 0.911 273 F CB 1.564 40.621 39.000 0.096 0.000 1.337 273 F HN 0.222 nan 8.300 nan 0.000 0.464 274 E N 0.067 120.272 120.200 0.009 0.000 2.369 274 E HA 0.605 4.955 4.350 -0.000 0.000 0.270 274 E C -1.603 175.016 176.600 0.031 0.000 0.909 274 E CA -1.172 55.117 56.400 -0.185 0.000 0.775 274 E CB 2.251 31.779 29.700 -0.288 0.000 1.270 274 E HN 0.621 nan 8.360 nan 0.000 0.445 275 S N 0.947 116.627 115.700 -0.032 0.000 2.462 275 S HA 0.512 4.982 4.470 -0.000 0.000 0.294 275 S C -1.045 173.538 174.600 -0.029 0.000 1.144 275 S CA -0.637 57.637 58.200 0.124 0.000 1.088 275 S CB 0.131 63.478 63.200 0.246 0.000 1.009 275 S HN 0.280 nan 8.310 nan 0.000 0.484 276 F N 3.010 122.841 119.950 -0.198 0.000 2.308 276 F HA 0.448 4.975 4.527 -0.000 0.000 0.370 276 F C -0.351 175.503 175.800 0.091 0.000 1.100 276 F CA -0.955 56.979 58.000 -0.109 0.000 1.108 276 F CB 0.145 38.761 39.000 -0.641 0.000 1.293 276 F HN 0.426 nan 8.300 nan 0.000 0.478 277 F N 3.376 123.518 119.950 0.320 0.000 2.410 277 F HA 0.273 4.800 4.527 -0.000 0.000 0.348 277 F C 1.230 177.088 175.800 0.097 0.000 1.106 277 F CA -0.321 57.796 58.000 0.195 0.000 1.163 277 F CB 1.110 40.088 39.000 -0.037 0.000 1.129 277 F HN 0.418 nan 8.300 nan 0.000 0.516 278 L N 1.566 122.882 121.223 0.154 0.000 2.131 278 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 278 L C 1.502 178.333 176.870 -0.065 0.000 1.087 278 L CA 0.354 55.082 54.840 -0.187 0.000 0.767 278 L CB -0.230 41.814 42.059 -0.025 0.000 0.917 278 L HN 0.736 nan 8.230 nan 0.000 0.441 279 S N -1.291 114.448 115.700 0.064 0.000 2.592 279 S HA -0.001 4.469 4.470 -0.000 0.000 0.256 279 S C 0.229 174.838 174.600 0.016 0.000 1.369 279 S CA -0.393 57.827 58.200 0.034 0.000 0.984 279 S CB 1.159 64.382 63.200 0.037 0.000 0.919 279 S HN 0.142 nan 8.310 nan 0.000 0.576 280 S N 0.818 116.521 115.700 0.005 0.000 2.789 280 S HA 0.608 5.078 4.470 -0.000 0.000 0.286 280 S C -0.373 174.216 174.600 -0.019 0.000 1.153 280 S CA -0.250 57.958 58.200 0.014 0.000 1.084 280 S CB 0.209 63.464 63.200 0.091 0.000 1.036 280 S HN 1.169 nan 8.310 nan 0.000 0.484 281 T N 1.991 116.514 114.554 -0.051 0.000 2.724 281 T HA 0.457 4.807 4.350 -0.000 0.000 0.274 281 T C 0.754 175.430 174.700 -0.041 0.000 0.984 281 T CA -0.664 61.401 62.100 -0.058 0.000 1.024 281 T CB 0.959 69.763 68.868 -0.108 0.000 1.320 281 T HN 0.430 nan 8.240 nan 0.000 0.555 282 Q N -0.475 119.305 119.800 -0.033 0.000 2.378 282 Q HA 0.208 4.548 4.340 -0.000 0.000 0.205 282 Q C 2.148 178.140 176.000 -0.014 0.000 0.954 282 Q CA 0.855 56.646 55.803 -0.020 0.000 0.901 282 Q CB -0.177 28.552 28.738 -0.015 0.000 0.981 282 Q HN 0.781 nan 8.270 nan 0.000 0.483 283 A N 0.502 123.314 122.820 -0.013 0.000 2.095 283 A HA 0.008 4.328 4.320 -0.000 0.000 0.212 283 A C 0.409 178.031 177.584 0.063 0.000 1.162 283 A CA 0.423 52.486 52.037 0.043 0.000 0.753 283 A CB 0.334 19.402 19.000 0.114 0.000 0.840 283 A HN 0.321 nan 8.150 nan 0.000 0.468 284 Q N -0.794 119.002 119.800 -0.007 0.000 2.479 284 Q HA 0.459 4.799 4.340 -0.000 0.000 0.276 284 Q C -1.153 174.829 176.000 -0.031 0.000 0.989 284 Q CA -0.874 54.928 55.803 -0.003 0.000 0.864 284 Q CB 0.341 29.087 28.738 0.013 0.000 1.444 284 Q HN 0.409 nan 8.270 nan 0.000 0.388 285 Q N 0.394 120.179 119.800 -0.024 0.000 2.230 285 Q HA 0.622 4.962 4.340 -0.000 0.000 0.248 285 Q C -0.401 175.585 176.000 -0.024 0.000 0.915 285 Q CA -0.812 54.963 55.803 -0.046 0.000 0.900 285 Q CB 1.670 30.354 28.738 -0.089 0.000 1.229 285 Q HN 0.651 nan 8.270 nan 0.000 0.439 286 S N 1.020 116.699 115.700 -0.035 0.000 2.560 286 S HA -0.054 4.416 4.470 -0.000 0.000 0.284 286 S C 0.543 175.131 174.600 -0.019 0.000 1.327 286 S CA -0.366 57.813 58.200 -0.035 0.000 1.055 286 S CB 0.099 63.315 63.200 0.027 0.000 0.868 286 S HN 0.694 nan 8.310 nan 0.000 0.506 287 Y N 3.678 124.056 120.300 0.130 0.000 2.574 287 Y HA 0.093 4.643 4.550 -0.000 0.000 0.294 287 Y C 1.420 177.355 175.900 0.059 0.000 1.142 287 Y CA 0.583 58.740 58.100 0.095 0.000 1.314 287 Y CB -0.782 37.825 38.460 0.246 0.000 0.991 287 Y HN 0.556 nan 8.280 nan 0.000 0.555 288 L N 0.282 121.605 121.223 0.168 0.000 2.275 288 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 288 L C 2.295 179.330 176.870 0.275 0.000 1.119 288 L CA 1.153 56.234 54.840 0.402 0.000 0.790 288 L CB -0.512 41.833 42.059 0.476 0.000 0.919 288 L HN 0.332 nan 8.230 nan 0.000 0.443 289 Q N -0.346 119.385 119.800 -0.115 0.000 2.488 289 Q HA -0.073 4.267 4.340 -0.000 0.000 0.211 289 Q C 2.093 178.003 176.000 -0.149 0.000 0.967 289 Q CA 0.786 56.351 55.803 -0.397 0.000 0.926 289 Q CB 0.003 28.364 28.738 -0.628 0.000 0.992 289 Q HN 0.587 nan 8.270 nan 0.000 0.506 290 G N -0.124 108.589 108.800 -0.146 0.000 2.572 290 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 290 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 290 G C 0.253 175.033 174.900 -0.199 0.000 1.133 290 G CA -0.120 44.851 45.100 -0.215 0.000 0.791 290 G HN 0.108 nan 8.290 nan 0.000 0.538 291 F N 1.485 121.517 119.950 0.137 0.000 2.371 291 F HA 0.386 4.913 4.527 -0.000 0.000 0.329 291 F C 1.321 177.187 175.800 0.108 0.000 1.107 291 F CA -0.966 57.116 58.000 0.136 0.000 1.137 291 F CB 1.318 40.432 39.000 0.191 0.000 1.214 291 F HN -0.007 nan 8.300 nan 0.000 0.536 292 S N 1.524 117.391 115.700 0.279 0.000 2.608 292 S HA 0.165 4.635 4.470 -0.000 0.000 0.261 292 S C 0.862 175.503 174.600 0.069 0.000 1.314 292 S CA -0.746 57.521 58.200 0.112 0.000 0.992 292 S CB 1.037 64.276 63.200 0.064 0.000 0.935 292 S HN 0.718 nan 8.310 nan 0.000 0.564 293 K N 1.043 121.359 120.400 -0.140 0.000 2.026 293 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 293 K C 1.917 178.473 176.600 -0.075 0.000 1.048 293 K CA 1.524 57.604 56.287 -0.345 0.000 0.929 293 K CB -0.415 31.638 32.500 -0.744 0.000 0.713 293 K HN 0.547 nan 8.250 nan 0.000 0.439 294 N N 1.061 119.732 118.700 -0.048 0.000 2.223 294 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 294 N C 1.776 177.306 175.510 0.033 0.000 1.016 294 N CA 0.986 54.038 53.050 0.002 0.000 0.863 294 N CB -0.091 38.392 38.487 -0.007 0.000 0.983 294 N HN 0.118 nan 8.380 nan 0.000 0.429 295 I N 1.536 122.133 120.570 0.045 0.000 2.163 295 I HA -0.150 4.020 4.170 -0.000 0.000 0.240 295 I C 2.333 178.478 176.117 0.048 0.000 1.081 295 I CA 0.745 62.060 61.300 0.025 0.000 1.353 295 I CB -1.063 36.955 38.000 0.031 0.000 1.054 295 I HN 0.063 nan 8.210 nan 0.000 0.407 296 L N 0.284 121.610 121.223 0.172 0.000 2.079 296 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 296 L C 2.500 179.548 176.870 0.297 0.000 1.081 296 L CA 1.318 56.348 54.840 0.317 0.000 0.752 296 L CB -0.559 41.814 42.059 0.524 0.000 0.896 296 L HN 0.297 nan 8.230 nan 0.000 0.433 297 E N 0.056 120.391 120.200 0.225 0.000 2.077 297 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 297 E C 2.330 178.993 176.600 0.105 0.000 0.989 297 E CA 1.172 57.681 56.400 0.182 0.000 0.800 297 E CB -0.133 29.653 29.700 0.143 0.000 0.746 297 E HN 0.519 nan 8.360 nan 0.000 0.452 298 A N 1.044 123.894 122.820 0.051 0.000 1.898 298 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 298 A C 2.373 179.929 177.584 -0.046 0.000 1.181 298 A CA 1.535 53.573 52.037 0.001 0.000 0.620 298 A CB -0.387 18.601 19.000 -0.019 0.000 0.819 298 A HN 0.106 nan 8.150 nan 0.000 0.442 299 S N -1.020 114.617 115.700 -0.105 0.000 2.343 299 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 299 S C 1.686 176.096 174.600 -0.317 0.000 1.033 299 S CA 1.706 59.736 58.200 -0.282 0.000 1.014 299 S CB -0.590 62.318 63.200 -0.486 0.000 0.915 299 S HN 0.666 nan 8.310 nan 0.000 0.435 300 Y N 1.303 121.609 120.300 0.011 0.000 2.546 300 Y HA 0.161 4.711 4.550 -0.000 0.000 0.287 300 Y C 0.783 176.685 175.900 0.005 0.000 1.158 300 Y CA -0.084 58.020 58.100 0.007 0.000 1.307 300 Y CB -0.334 38.130 38.460 0.007 0.000 1.036 300 Y HN 0.158 nan 8.280 nan 0.000 0.532 301 D N 1.253 121.714 120.400 0.102 0.000 2.689 301 D HA -0.182 4.458 4.640 -0.000 0.000 0.237 301 D C -0.385 175.963 176.300 0.079 0.000 1.148 301 D CA 1.483 55.524 54.000 0.068 0.000 0.656 301 D CB -0.870 39.953 40.800 0.037 0.000 1.050 301 D HN 0.462 nan 8.370 nan 0.000 0.426 302 T N -2.561 112.055 114.554 0.102 0.000 2.821 302 T HA 0.583 4.933 4.350 -0.000 0.000 0.306 302 T C -0.150 174.603 174.700 0.088 0.000 1.313 302 T CA -1.138 61.006 62.100 0.073 0.000 1.012 302 T CB 1.316 70.212 68.868 0.048 0.000 1.298 302 T HN 0.137 nan 8.240 nan 0.000 0.502 303 K N 0.747 121.186 120.400 0.065 0.000 2.382 303 K HA 0.297 4.617 4.320 -0.000 0.000 0.275 303 K C 0.559 177.229 176.600 0.116 0.000 1.009 303 K CA -0.379 55.965 56.287 0.095 0.000 0.970 303 K CB 0.301 32.839 32.500 0.064 0.000 0.934 303 K HN 0.581 nan 8.250 nan 0.000 0.479 304 F N 3.027 122.997 119.950 0.032 0.000 2.250 304 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 304 F C 2.051 177.859 175.800 0.013 0.000 1.077 304 F CA 1.641 59.664 58.000 0.039 0.000 1.348 304 F CB 0.169 39.213 39.000 0.073 0.000 1.040 304 F HN 0.724 nan 8.300 nan 0.000 0.509 305 E N 0.015 120.198 120.200 -0.028 0.000 2.204 305 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 305 E C 1.931 178.413 176.600 -0.197 0.000 0.989 305 E CA 1.501 57.829 56.400 -0.120 0.000 0.824 305 E CB -0.719 28.976 29.700 -0.009 0.000 0.756 305 E HN 0.717 nan 8.360 nan 0.000 0.477 306 E N 1.195 121.297 120.200 -0.164 0.000 2.060 306 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 306 E C 2.263 178.691 176.600 -0.286 0.000 0.974 306 E CA 0.683 56.978 56.400 -0.175 0.000 0.808 306 E CB -0.045 29.589 29.700 -0.109 0.000 0.768 306 E HN 0.329 nan 8.360 nan 0.000 0.453 307 I N 2.065 122.430 120.570 -0.341 0.000 2.127 307 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 307 I C 2.692 178.348 176.117 -0.768 0.000 1.075 307 I CA 1.263 62.260 61.300 -0.506 0.000 1.334 307 I CB -0.604 37.167 38.000 -0.382 0.000 1.040 307 I HN 0.275 nan 8.210 nan 0.000 0.405 308 N N 1.565 119.760 118.700 -0.843 0.000 2.364 308 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 308 N C 1.806 177.077 175.510 -0.399 0.000 1.022 308 N CA 1.297 53.913 53.050 -0.723 0.000 0.883 308 N CB 0.026 38.006 38.487 -0.846 0.000 0.965 308 N HN 0.434 nan 8.380 nan 0.000 0.438 309 K N 0.453 120.647 120.400 -0.345 0.000 2.098 309 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 309 K C 1.734 178.208 176.600 -0.209 0.000 1.051 309 K CA 0.652 56.812 56.287 -0.211 0.000 0.957 309 K CB 0.156 32.557 32.500 -0.164 0.000 0.738 309 K HN -0.039 nan 8.250 nan 0.000 0.447 310 V N 1.671 121.422 119.914 -0.271 0.000 2.535 310 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 310 V C 2.210 178.142 176.094 -0.271 0.000 1.045 310 V CA 1.134 63.289 62.300 -0.240 0.000 1.058 310 V CB -0.154 31.525 31.823 -0.240 0.000 0.689 310 V HN 0.244 nan 8.190 nan 0.000 0.461 311 L N -2.037 118.922 121.223 -0.440 0.000 2.269 311 L HA 0.163 4.503 4.340 -0.000 0.000 0.200 311 L C 2.225 178.989 176.870 -0.176 0.000 1.069 311 L CA 1.139 55.721 54.840 -0.431 0.000 0.804 311 L CB -0.351 41.254 42.059 -0.757 0.000 0.987 311 L HN 0.237 nan 8.230 nan 0.000 0.468 312 F N 0.159 120.039 119.950 -0.118 0.000 2.208 312 F HA 0.313 4.840 4.527 -0.000 0.000 0.282 312 F C 1.858 177.613 175.800 -0.075 0.000 1.071 312 F CA 0.095 58.045 58.000 -0.082 0.000 1.228 312 F CB -0.946 38.013 39.000 -0.068 0.000 1.088 312 F HN 0.123 nan 8.300 nan 0.000 0.512 327 E N 0.701 120.906 120.200 0.008 0.000 2.051 327 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 327 E C 0.348 176.943 176.600 -0.008 0.000 0.991 327 E CA 1.638 58.042 56.400 0.006 0.000 0.799 327 E CB 0.424 30.138 29.700 0.023 0.000 0.748 327 E HN 0.348 nan 8.360 nan 0.000 0.449 328 S N -2.125 113.565 115.700 -0.016 0.000 2.929 328 S HA 0.216 4.686 4.470 -0.000 0.000 0.311 328 S C 0.473 174.973 174.600 -0.167 0.000 1.213 328 S CA -0.132 58.028 58.200 -0.066 0.000 0.908 328 S CB 1.095 64.297 63.200 0.004 0.000 1.287 328 S HN 0.227 nan 8.310 nan 0.000 0.594 329 V N 0.369 120.078 119.914 -0.341 0.000 3.461 329 V HA 0.478 4.598 4.120 -0.000 0.000 0.267 329 V C -0.061 175.935 176.094 -0.164 0.000 1.186 329 V CA 0.611 62.633 62.300 -0.463 0.000 1.154 329 V CB -0.776 30.346 31.823 -1.169 0.000 0.802 329 V HN 0.427 nan 8.190 nan 0.000 0.474 330 I N 2.515 123.079 120.570 -0.011 0.000 2.339 330 I HA 0.630 4.800 4.170 -0.000 0.000 0.290 330 I C -0.176 176.018 176.117 0.128 0.000 0.994 330 I CA -0.595 60.784 61.300 0.132 0.000 1.191 330 I CB 1.573 39.737 38.000 0.273 0.000 1.343 330 I HN 0.138 nan 8.210 nan 0.000 0.458 331 V N 2.228 122.151 119.914 0.015 0.000 3.074 331 V HA 0.746 4.866 4.120 -0.000 0.000 0.314 331 V C -0.428 175.430 176.094 -0.392 0.000 1.117 331 V CA -0.925 61.302 62.300 -0.122 0.000 1.014 331 V CB 1.863 33.639 31.823 -0.080 0.000 1.057 331 V HN 0.817 nan 8.190 nan 0.000 0.438 332 E N 2.385 122.207 120.200 -0.630 0.000 2.343 332 E HA 0.661 5.011 4.350 -0.000 0.000 0.269 332 E C -0.725 175.719 176.600 -0.259 0.000 1.047 332 E CA -0.624 55.418 56.400 -0.597 0.000 0.874 332 E CB 2.316 31.638 29.700 -0.630 0.000 1.033 332 E HN 0.849 nan 8.360 nan 0.000 0.409 333 I N 1.462 121.925 120.570 -0.179 0.000 2.686 333 I HA 0.236 4.406 4.170 -0.000 0.000 0.295 333 I C -0.507 175.568 176.117 -0.070 0.000 1.114 333 I CA -0.794 60.445 61.300 -0.101 0.000 1.038 333 I CB 2.118 40.076 38.000 -0.069 0.000 1.238 333 I HN 0.872 nan 8.210 nan 0.000 0.420 334 S N 5.389 121.058 115.700 -0.051 0.000 2.593 334 S HA 0.254 4.724 4.470 -0.000 0.000 0.269 334 S C 0.738 175.325 174.600 -0.021 0.000 1.334 334 S CA -0.411 57.769 58.200 -0.033 0.000 1.015 334 S CB 1.359 64.543 63.200 -0.028 0.000 0.912 334 S HN 0.777 nan 8.310 nan 0.000 0.541 335 K N 0.711 121.102 120.400 -0.014 0.000 2.211 335 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 335 K C 2.071 178.667 176.600 -0.006 0.000 1.050 335 K CA 0.947 57.230 56.287 -0.007 0.000 0.945 335 K CB -0.138 32.360 32.500 -0.004 0.000 0.732 335 K HN 0.631 nan 8.250 nan 0.000 0.451 336 K N 1.545 121.940 120.400 -0.009 0.000 2.062 336 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 336 K C 1.918 178.514 176.600 -0.008 0.000 1.051 336 K CA 1.300 57.581 56.287 -0.008 0.000 0.941 336 K CB 0.167 32.661 32.500 -0.010 0.000 0.719 336 K HN 0.170 nan 8.250 nan 0.000 0.440 337 Q N 0.292 120.085 119.800 -0.012 0.000 2.172 337 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 337 Q C 2.167 178.168 176.000 0.001 0.000 0.964 337 Q CA 1.101 56.898 55.803 -0.011 0.000 0.855 337 Q CB 0.013 28.736 28.738 -0.025 0.000 0.918 337 Q HN 0.346 nan 8.270 nan 0.000 0.444 338 I N 0.374 120.946 120.570 0.003 0.000 2.179 338 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 338 I C 2.586 178.714 176.117 0.018 0.000 1.088 338 I CA 1.110 62.422 61.300 0.019 0.000 1.357 338 I CB -0.176 37.834 38.000 0.016 0.000 1.051 338 I HN 0.127 nan 8.210 nan 0.000 0.409 339 R N 0.897 121.400 120.500 0.006 0.000 2.096 339 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 339 R C 2.103 178.399 176.300 -0.008 0.000 1.127 339 R CA 1.588 57.686 56.100 -0.003 0.000 0.968 339 R CB -0.019 30.277 30.300 -0.007 0.000 0.861 339 R HN 0.436 nan 8.270 nan 0.000 0.440 340 E N -0.053 120.147 120.200 -0.001 0.000 2.152 340 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 340 E C 1.683 178.296 176.600 0.021 0.000 0.983 340 E CA 0.780 57.181 56.400 0.002 0.000 0.818 340 E CB 0.058 29.763 29.700 0.008 0.000 0.758 340 E HN 0.356 nan 8.360 nan 0.000 0.467 341 L N 0.631 121.878 121.223 0.040 0.000 2.610 341 L HA 0.035 4.375 4.340 -0.000 0.000 0.232 341 L C 1.396 178.314 176.870 0.079 0.000 1.149 341 L CA 0.314 55.204 54.840 0.084 0.000 0.872 341 L CB 0.182 42.310 42.059 0.114 0.000 0.992 341 L HN 0.016 nan 8.230 nan 0.000 0.447 342 S N -1.350 114.369 115.700 0.032 0.000 2.559 342 S HA 0.096 4.566 4.470 -0.000 0.000 0.226 342 S C 1.569 176.143 174.600 -0.043 0.000 1.000 342 S CA -0.357 57.851 58.200 0.014 0.000 0.948 342 S CB 0.446 63.655 63.200 0.015 0.000 0.870 342 S HN 0.262 nan 8.310 nan 0.000 0.497 343 K N 1.431 121.772 120.400 -0.099 0.000 2.001 343 K HA -0.149 4.171 4.320 -0.000 0.000 0.214 343 K C 0.443 176.801 176.600 -0.403 0.000 1.050 343 K CA 1.570 57.683 56.287 -0.290 0.000 0.934 343 K CB -0.237 32.003 32.500 -0.432 0.000 0.718 343 K HN 0.488 nan 8.250 nan 0.000 0.443 344 H N -0.879 118.183 119.070 -0.012 0.000 2.503 344 H HA 0.344 4.900 4.556 -0.000 0.000 0.296 344 H C -0.619 174.674 175.328 -0.059 0.000 1.097 344 H CA -0.435 55.595 56.048 -0.030 0.000 1.055 344 H CB 0.512 30.252 29.762 -0.035 0.000 1.580 344 H HN 0.156 nan 8.280 nan 0.000 0.546 345 A N 1.396 124.221 122.820 0.009 0.000 2.454 345 A HA 0.210 4.530 4.320 -0.000 0.000 0.260 345 A C 0.166 177.747 177.584 -0.005 0.000 1.106 345 A CA -0.357 51.666 52.037 -0.023 0.000 0.780 345 A CB 0.185 19.188 19.000 0.005 0.000 1.044 345 A HN 0.406 nan 8.150 nan 0.000 0.498 346 K N 1.589 121.969 120.400 -0.034 0.000 2.143 346 K HA 0.499 4.819 4.320 -0.000 0.000 0.272 346 K C 0.216 176.919 176.600 0.171 0.000 1.001 346 K CA -0.221 56.105 56.287 0.065 0.000 0.915 346 K CB 1.388 33.931 32.500 0.070 0.000 1.047 346 K HN 0.839 nan 8.250 nan 0.000 0.458 347 S N -0.136 115.645 115.700 0.134 0.000 2.689 347 S HA 0.455 4.925 4.470 -0.000 0.000 0.306 347 S C -0.088 174.576 174.600 0.106 0.000 1.104 347 S CA -0.981 57.290 58.200 0.119 0.000 0.973 347 S CB 1.395 64.637 63.200 0.071 0.000 1.121 347 S HN 0.577 nan 8.310 nan 0.000 0.523 348 S N 0.631 116.375 115.700 0.073 0.000 2.614 348 S HA 0.761 5.231 4.470 -0.000 0.000 0.265 348 S C 0.010 174.643 174.600 0.056 0.000 1.303 348 S CA -0.091 58.148 58.200 0.065 0.000 1.000 348 S CB 0.299 63.522 63.200 0.040 0.000 0.935 348 S HN 1.862 nan 8.310 nan 0.000 0.551 349 S N -0.054 115.682 115.700 0.061 0.000 2.595 349 S HA 0.443 4.913 4.470 -0.000 0.000 0.270 349 S C 0.240 174.870 174.600 0.051 0.000 1.145 349 S CA -1.247 56.981 58.200 0.047 0.000 0.825 349 S CB 1.020 64.245 63.200 0.043 0.000 1.107 349 S HN 0.702 nan 8.310 nan 0.000 0.461 350 R N 0.759 121.282 120.500 0.038 0.000 2.226 350 R HA -0.139 4.201 4.340 -0.000 0.000 0.246 350 R C 2.010 178.329 176.300 0.031 0.000 1.161 350 R CA 1.714 57.835 56.100 0.035 0.000 0.997 350 R CB -0.378 29.937 30.300 0.026 0.000 0.870 350 R HN 0.751 nan 8.270 nan 0.000 0.465 351 K N 0.908 121.327 120.400 0.032 0.000 2.155 351 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 351 K C 1.761 178.378 176.600 0.027 0.000 1.052 351 K CA 1.629 57.932 56.287 0.025 0.000 0.948 351 K CB 0.084 32.599 32.500 0.027 0.000 0.728 351 K HN 0.193 nan 8.250 nan 0.000 0.448 352 T N -1.035 113.548 114.554 0.048 0.000 3.163 352 T HA 0.025 4.374 4.350 -0.000 0.000 0.260 352 T C 1.743 176.470 174.700 0.045 0.000 1.156 352 T CA 0.293 62.429 62.100 0.061 0.000 1.072 352 T CB -0.433 68.496 68.868 0.102 0.000 0.937 352 T HN 0.190 nan 8.240 nan 0.000 0.528 353 I N 2.413 122.998 120.570 0.025 0.000 2.185 353 I HA -0.177 3.993 4.170 -0.000 0.000 0.246 353 I C 2.292 178.305 176.117 -0.173 0.000 1.088 353 I CA 1.751 63.029 61.300 -0.037 0.000 1.347 353 I CB -0.394 37.595 38.000 -0.019 0.000 1.041 353 I HN 0.487 nan 8.210 nan 0.000 0.415 354 S N -1.042 114.592 115.700 -0.111 0.000 2.588 354 S HA 0.200 4.670 4.470 -0.000 0.000 0.245 354 S C 0.384 174.927 174.600 -0.095 0.000 1.021 354 S CA -0.661 57.463 58.200 -0.127 0.000 1.006 354 S CB 0.172 63.324 63.200 -0.080 0.000 0.830 354 S HN 0.231 nan 8.310 nan 0.000 0.468 355 S N 0.794 116.446 115.700 -0.081 0.000 2.601 355 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 355 S C 1.076 175.651 174.600 -0.041 0.000 1.305 355 S CA -0.441 57.740 58.200 -0.032 0.000 1.022 355 S CB 0.732 63.941 63.200 0.015 0.000 0.940 355 S HN 0.436 nan 8.310 nan 0.000 0.525 356 E N 2.101 122.292 120.200 -0.015 0.000 2.299 356 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 356 E C 0.134 176.739 176.600 0.009 0.000 0.998 356 E CA 0.893 57.288 56.400 -0.010 0.000 0.851 356 E CB 0.120 29.818 29.700 -0.003 0.000 0.795 356 E HN 0.689 nan 8.360 nan 0.000 0.492 357 D N -0.868 119.546 120.400 0.022 0.000 2.399 357 D HA 0.077 4.717 4.640 -0.000 0.000 0.269 357 D C -0.174 176.121 176.300 -0.009 0.000 1.105 357 D CA 0.003 54.017 54.000 0.025 0.000 0.844 357 D CB 0.846 41.679 40.800 0.055 0.000 1.372 357 D HN -0.133 nan 8.370 nan 0.000 0.517 358 K N 1.957 122.372 120.400 0.024 0.000 2.154 358 K HA 0.335 4.655 4.320 -0.000 0.000 0.264 358 K C -2.432 174.175 176.600 0.011 0.000 1.008 358 K CA -1.673 54.609 56.287 -0.009 0.000 0.937 358 K CB 0.718 33.273 32.500 0.090 0.000 1.002 358 K HN -0.040 nan 8.250 nan 0.000 0.469 359 P HA 0.044 nan 4.420 nan 0.000 0.272 359 P C -1.073 176.298 177.300 0.118 0.000 1.223 359 P CA -0.034 63.012 63.100 -0.090 0.000 0.784 359 P CB 0.293 31.863 31.700 -0.217 0.000 0.923 360 F N -1.438 118.480 119.950 -0.052 0.000 2.591 360 F HA 0.583 5.110 4.527 -0.000 0.000 0.309 360 F C -0.610 175.178 175.800 -0.021 0.000 1.098 360 F CA -1.608 56.376 58.000 -0.027 0.000 0.937 360 F CB 0.794 39.782 39.000 -0.020 0.000 1.250 360 F HN 0.112 nan 8.300 nan 0.000 0.447 361 N N 1.811 120.550 118.700 0.065 0.000 2.498 361 N HA 0.430 5.170 4.740 -0.000 0.000 0.287 361 N C 0.655 176.184 175.510 0.032 0.000 1.097 361 N CA -0.711 52.326 53.050 -0.022 0.000 0.973 361 N CB 1.274 39.741 38.487 -0.032 0.000 1.153 361 N HN 0.816 nan 8.380 nan 0.000 0.472 362 L N 1.862 123.067 121.223 -0.029 0.000 2.376 362 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 362 L C 1.027 177.848 176.870 -0.082 0.000 1.133 362 L CA 0.850 55.687 54.840 -0.006 0.000 0.816 362 L CB -0.214 41.821 42.059 -0.040 0.000 0.933 362 L HN 0.494 nan 8.230 nan 0.000 0.449 363 R N -1.020 119.338 120.500 -0.237 0.000 2.609 363 R HA 0.120 4.460 4.340 -0.000 0.000 0.326 363 R C 1.755 177.982 176.300 -0.122 0.000 1.090 363 R CA -0.051 55.777 56.100 -0.452 0.000 1.072 363 R CB 0.436 30.184 30.300 -0.921 0.000 1.330 363 R HN 0.018 nan 8.270 nan 0.000 0.572 364 S N 0.646 116.342 115.700 -0.007 0.000 2.442 364 S HA 0.003 4.473 4.470 -0.000 0.000 0.236 364 S C 0.701 175.338 174.600 0.061 0.000 1.007 364 S CA 1.148 59.368 58.200 0.032 0.000 0.965 364 S CB 0.239 63.475 63.200 0.061 0.000 0.773 364 S HN 0.308 nan 8.310 nan 0.000 0.504 365 R N 0.367 120.933 120.500 0.110 0.000 2.950 365 R HA 0.393 4.733 4.340 -0.000 0.000 0.253 365 R C -1.127 175.274 176.300 0.168 0.000 1.168 365 R CA -0.965 55.197 56.100 0.102 0.000 1.014 365 R CB 0.373 30.707 30.300 0.057 0.000 1.228 365 R HN 0.175 nan 8.270 nan 0.000 0.487 366 D N 2.986 123.429 120.400 0.071 0.000 2.449 366 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 366 D C -1.915 174.296 176.300 -0.149 0.000 1.149 366 D CA -0.544 53.461 54.000 0.008 0.000 0.878 366 D CB 0.341 41.120 40.800 -0.034 0.000 1.198 366 D HN 0.187 nan 8.370 nan 0.000 0.446 367 P HA 0.061 nan 4.420 nan 0.000 0.272 367 P C 0.957 177.957 177.300 -0.499 0.000 1.230 367 P CA -0.476 62.062 63.100 -0.938 0.000 0.788 367 P CB 1.117 31.987 31.700 -1.383 0.000 0.949 368 I N 0.081 120.322 120.570 -0.548 0.000 2.233 368 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 368 I C 1.097 176.956 176.117 -0.429 0.000 1.093 368 I CA 1.274 62.251 61.300 -0.539 0.000 1.380 368 I CB -1.020 36.478 38.000 -0.837 0.000 1.067 368 I HN 0.332 nan 8.210 nan 0.000 0.413 369 Y N -0.369 119.721 120.300 -0.351 0.000 2.429 369 Y HA 0.504 5.054 4.550 -0.000 0.000 0.342 369 Y C 0.354 176.195 175.900 -0.098 0.000 1.004 369 Y CA -0.863 57.053 58.100 -0.308 0.000 1.075 369 Y CB 2.038 40.186 38.460 -0.520 0.000 1.214 369 Y HN -0.146 nan 8.280 nan 0.000 0.455 370 S N 3.069 118.884 115.700 0.192 0.000 2.550 370 S HA 0.306 4.776 4.470 -0.000 0.000 0.274 370 S C -1.553 173.108 174.600 0.103 0.000 1.110 370 S CA -0.725 57.520 58.200 0.075 0.000 1.013 370 S CB 0.078 63.238 63.200 -0.066 0.000 1.152 370 S HN 0.959 nan 8.310 nan 0.000 0.450 371 N N 2.368 121.127 118.700 0.098 0.000 3.278 371 N HA 0.404 5.144 4.740 -0.000 0.000 0.307 371 N C 0.566 176.080 175.510 0.007 0.000 1.551 371 N CA -1.067 52.023 53.050 0.067 0.000 0.794 371 N CB 0.649 39.204 38.487 0.113 0.000 1.770 371 N HN 0.410 nan 8.380 nan 0.000 0.612 372 K N -0.213 120.190 120.400 0.005 0.000 2.442 372 K HA 0.045 4.364 4.320 -0.000 0.000 0.198 372 K C 1.095 177.671 176.600 -0.041 0.000 1.042 372 K CA 1.146 57.422 56.287 -0.018 0.000 0.958 372 K CB -0.271 32.225 32.500 -0.007 0.000 0.766 372 K HN 0.475 nan 8.250 nan 0.000 0.474 373 L N -0.058 121.140 121.223 -0.042 0.000 2.515 373 L HA 0.318 4.658 4.340 -0.000 0.000 0.223 373 L C 0.881 177.574 176.870 -0.294 0.000 1.079 373 L CA -0.040 54.749 54.840 -0.084 0.000 0.857 373 L CB 0.740 42.810 42.059 0.018 0.000 1.050 373 L HN 0.366 nan 8.230 nan 0.000 0.476 374 G N -0.070 108.437 108.800 -0.488 0.000 2.576 374 G HA2 0.501 4.461 3.960 -0.000 0.000 0.290 374 G HA3 0.501 4.461 3.960 -0.000 0.000 0.290 374 G C -1.724 172.671 174.900 -0.841 0.000 1.442 374 G CA -0.501 43.934 45.100 -1.108 0.000 0.792 374 G HN -0.163 nan 8.290 nan 0.000 0.491 375 K N -0.511 119.449 120.400 -0.732 0.000 2.502 375 K HA 0.671 4.991 4.320 -0.000 0.000 0.257 375 K C -1.646 174.808 176.600 -0.243 0.000 0.938 375 K CA -0.732 55.368 56.287 -0.312 0.000 0.819 375 K CB 3.144 35.516 32.500 -0.214 0.000 1.333 375 K HN 0.422 nan 8.250 nan 0.000 0.434 376 L N 3.046 124.121 121.223 -0.247 0.000 2.439 376 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 376 L C -1.746 174.845 176.870 -0.465 0.000 0.972 376 L CA -0.608 54.076 54.840 -0.260 0.000 0.836 376 L CB 0.799 42.744 42.059 -0.190 0.000 1.255 376 L HN 0.505 nan 8.230 nan 0.000 0.404 377 F N 2.884 122.676 119.950 -0.263 0.000 2.470 377 F HA 0.673 5.200 4.527 -0.000 0.000 0.329 377 F C 0.070 175.740 175.800 -0.215 0.000 1.072 377 F CA -0.412 57.454 58.000 -0.224 0.000 0.989 377 F CB 1.892 40.778 39.000 -0.189 0.000 1.193 377 F HN 0.419 nan 8.300 nan 0.000 0.481 378 E N 1.921 122.125 120.200 0.006 0.000 2.363 378 E HA 0.475 4.825 4.350 -0.000 0.000 0.281 378 E C -2.072 174.528 176.600 0.001 0.000 0.953 378 E CA -0.595 55.776 56.400 -0.050 0.000 0.778 378 E CB 1.914 31.478 29.700 -0.226 0.000 1.220 378 E HN 0.394 nan 8.360 nan 0.000 0.431 379 I N 3.282 123.891 120.570 0.066 0.000 2.466 379 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 379 I C 0.358 176.538 176.117 0.106 0.000 1.026 379 I CA -0.474 60.882 61.300 0.094 0.000 1.078 379 I CB 1.050 39.180 38.000 0.217 0.000 1.249 379 I HN 0.702 nan 8.210 nan 0.000 0.429 380 T N 2.604 117.182 114.554 0.039 0.000 2.883 380 T HA 0.559 4.909 4.350 -0.000 0.000 0.284 380 T C -2.373 172.346 174.700 0.032 0.000 1.041 380 T CA -1.907 60.235 62.100 0.070 0.000 1.007 380 T CB 2.168 71.040 68.868 0.007 0.000 1.220 380 T HN 0.207 nan 8.240 nan 0.000 0.552 381 P HA 0.032 nan 4.420 nan 0.000 0.226 381 P C 1.213 178.508 177.300 -0.008 0.000 1.153 381 P CA 0.634 63.748 63.100 0.023 0.000 0.777 381 P CB 0.113 31.844 31.700 0.052 0.000 0.794 382 E N 0.159 120.353 120.200 -0.010 0.000 2.106 382 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 382 E C 1.323 177.899 176.600 -0.040 0.000 0.984 382 E CA 1.255 57.642 56.400 -0.021 0.000 0.806 382 E CB 0.051 29.739 29.700 -0.020 0.000 0.750 382 E HN 0.013 nan 8.360 nan 0.000 0.458 383 K N 0.183 120.547 120.400 -0.059 0.000 2.335 383 K HA 0.148 4.468 4.320 -0.000 0.000 0.195 383 K C 0.395 176.917 176.600 -0.130 0.000 1.058 383 K CA 0.062 56.301 56.287 -0.080 0.000 0.988 383 K CB 0.496 32.950 32.500 -0.076 0.000 0.880 383 K HN -0.040 nan 8.250 nan 0.000 0.513 384 N N 0.473 119.069 118.700 -0.173 0.000 2.392 384 N HA 0.150 4.890 4.740 -0.000 0.000 0.283 384 N C -2.418 172.990 175.510 -0.171 0.000 1.003 384 N CA -1.987 50.899 53.050 -0.275 0.000 0.892 384 N CB 1.810 39.964 38.487 -0.555 0.000 1.193 384 N HN -0.216 nan 8.380 nan 0.000 0.487 385 P HA -0.049 nan 4.420 nan 0.000 0.219 385 P C 0.877 178.146 177.300 -0.051 0.000 1.150 385 P CA 1.271 64.326 63.100 -0.074 0.000 0.814 385 P CB 0.523 32.187 31.700 -0.060 0.000 0.787 386 Q N -0.965 118.793 119.800 -0.070 0.000 2.046 386 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 386 Q C 1.849 177.868 176.000 0.031 0.000 0.975 386 Q CA 1.099 56.901 55.803 -0.001 0.000 0.836 386 Q CB -0.744 28.023 28.738 0.049 0.000 0.896 386 Q HN 0.145 nan 8.270 nan 0.000 0.428 387 L N 0.591 121.818 121.223 0.007 0.000 2.141 387 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 387 L C 2.279 179.178 176.870 0.049 0.000 1.094 387 L CA 1.575 56.453 54.840 0.062 0.000 0.763 387 L CB -0.728 41.367 42.059 0.059 0.000 0.908 387 L HN 0.153 nan 8.230 nan 0.000 0.437 388 R N -0.330 120.178 120.500 0.014 0.000 2.075 388 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 388 R C 1.955 178.273 176.300 0.030 0.000 1.126 388 R CA 1.714 57.827 56.100 0.020 0.000 0.963 388 R CB -0.156 30.143 30.300 -0.001 0.000 0.858 388 R HN 0.332 nan 8.270 nan 0.000 0.435 389 D N -0.024 120.392 120.400 0.026 0.000 2.178 389 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 389 D C 1.670 177.997 176.300 0.045 0.000 0.974 389 D CA 0.964 54.981 54.000 0.028 0.000 0.841 389 D CB 0.112 40.924 40.800 0.021 0.000 0.953 389 D HN 0.298 nan 8.370 nan 0.000 0.478 390 L N -0.673 120.589 121.223 0.064 0.000 2.529 390 L HA 0.099 4.439 4.340 -0.000 0.000 0.223 390 L C 0.231 177.161 176.870 0.100 0.000 1.113 390 L CA 0.137 55.032 54.840 0.092 0.000 0.861 390 L CB -0.067 42.064 42.059 0.120 0.000 1.012 390 L HN -0.020 nan 8.230 nan 0.000 0.461 391 D N 0.923 121.371 120.400 0.079 0.000 2.828 391 D HA -0.163 4.477 4.640 -0.000 0.000 0.241 391 D C -1.031 175.312 176.300 0.071 0.000 1.142 391 D CA 0.312 54.357 54.000 0.075 0.000 0.755 391 D CB -0.666 40.176 40.800 0.069 0.000 1.014 391 D HN -0.058 nan 8.370 nan 0.000 0.420 392 V N 2.190 122.155 119.914 0.084 0.000 2.888 392 V HA 0.714 4.834 4.120 -0.000 0.000 0.309 392 V C 0.087 176.259 176.094 0.130 0.000 1.114 392 V CA -0.970 61.359 62.300 0.049 0.000 0.940 392 V CB 1.979 33.849 31.823 0.078 0.000 1.021 392 V HN 0.246 nan 8.190 nan 0.000 0.426 393 F N 3.224 123.221 119.950 0.079 0.000 2.556 393 F HA 0.930 5.457 4.527 -0.000 0.000 0.327 393 F C -1.259 174.578 175.800 0.062 0.000 1.059 393 F CA -1.106 56.934 58.000 0.066 0.000 0.953 393 F CB 1.551 40.574 39.000 0.039 0.000 1.227 393 F HN 0.247 nan 8.300 nan 0.000 0.478 394 L N 3.035 124.530 121.223 0.453 0.000 2.385 394 L HA 0.673 5.013 4.340 -0.000 0.000 0.273 394 L C -0.694 176.334 176.870 0.262 0.000 0.990 394 L CA -0.672 54.303 54.840 0.225 0.000 0.821 394 L CB 2.231 44.346 42.059 0.093 0.000 1.279 394 L HN 0.983 nan 8.230 nan 0.000 0.412 395 S N 1.899 117.710 115.700 0.185 0.000 2.588 395 S HA 0.812 5.282 4.470 -0.000 0.000 0.275 395 S C -1.270 173.249 174.600 -0.135 0.000 1.130 395 S CA -0.800 57.437 58.200 0.062 0.000 0.855 395 S CB 2.492 65.756 63.200 0.108 0.000 1.116 395 S HN 0.398 nan 8.310 nan 0.000 0.472 396 V N 1.065 120.800 119.914 -0.298 0.000 2.841 396 V HA 0.861 4.981 4.120 -0.000 0.000 0.310 396 V C -1.603 174.177 176.094 -0.523 0.000 1.090 396 V CA -0.479 61.417 62.300 -0.674 0.000 0.930 396 V CB 1.826 33.038 31.823 -1.018 0.000 1.014 396 V HN 1.035 nan 8.190 nan 0.000 0.425 397 V N 4.659 124.101 119.914 -0.786 0.000 2.789 397 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 397 V C -1.347 174.415 176.094 -0.552 0.000 1.073 397 V CA -0.631 61.246 62.300 -0.705 0.000 0.921 397 V CB 2.314 33.501 31.823 -1.061 0.000 1.009 397 V HN 0.935 nan 8.190 nan 0.000 0.426 398 D N 4.204 124.376 120.400 -0.380 0.000 2.492 398 D HA 0.703 5.343 4.640 -0.000 0.000 0.248 398 D C -0.680 175.419 176.300 -0.336 0.000 1.101 398 D CA -0.128 53.713 54.000 -0.266 0.000 0.840 398 D CB 2.015 42.706 40.800 -0.181 0.000 1.209 398 D HN 0.378 nan 8.370 nan 0.000 0.524 399 M N 1.433 120.911 119.600 -0.204 0.000 2.326 399 M HA 0.299 4.779 4.480 -0.000 0.000 0.292 399 M C -0.079 176.167 176.300 -0.091 0.000 1.081 399 M CA -0.637 54.537 55.300 -0.211 0.000 0.919 399 M CB 2.451 34.993 32.600 -0.096 0.000 1.634 399 M HN 0.045 nan 8.290 nan 0.000 0.451 400 N N 1.171 119.813 118.700 -0.097 0.000 2.399 400 N HA 0.074 4.814 4.740 -0.000 0.000 0.250 400 N C -0.408 175.099 175.510 -0.004 0.000 1.272 400 N CA -0.522 52.502 53.050 -0.042 0.000 0.928 400 N CB 0.707 39.169 38.487 -0.043 0.000 1.158 400 N HN 0.558 nan 8.380 nan 0.000 0.463 401 E N 0.640 120.845 120.200 0.009 0.000 2.384 401 E HA -0.004 4.345 4.350 -0.000 0.000 0.266 401 E C 0.628 177.245 176.600 0.028 0.000 1.012 401 E CA 0.524 56.939 56.400 0.025 0.000 0.901 401 E CB 0.456 30.170 29.700 0.023 0.000 0.967 401 E HN 0.841 nan 8.360 nan 0.000 0.435 402 G N 2.535 111.360 108.800 0.041 0.000 2.176 402 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 402 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 402 G C 0.189 175.124 174.900 0.059 0.000 0.979 402 G CA 0.227 45.354 45.100 0.044 0.000 0.641 402 G HN 0.833 nan 8.290 nan 0.000 0.530 403 A N -0.526 122.336 122.820 0.070 0.000 2.295 403 A HA 0.892 5.212 4.320 -0.000 0.000 0.318 403 A C -0.368 177.317 177.584 0.169 0.000 1.134 403 A CA -0.252 51.849 52.037 0.106 0.000 0.827 403 A CB 1.502 20.544 19.000 0.070 0.000 1.136 403 A HN 1.479 nan 8.150 nan 0.000 0.493 404 L N 1.629 122.989 121.223 0.228 0.000 2.381 404 L HA 0.493 4.833 4.340 -0.000 0.000 0.274 404 L C -1.022 176.111 176.870 0.438 0.000 0.988 404 L CA -0.365 54.641 54.840 0.277 0.000 0.824 404 L CB 1.177 43.349 42.059 0.189 0.000 1.263 404 L HN 0.670 nan 8.230 nan 0.000 0.410 405 F N 6.376 126.511 119.950 0.309 0.000 2.439 405 F HA 0.319 4.846 4.527 -0.000 0.000 0.356 405 F C 0.257 176.215 175.800 0.264 0.000 1.161 405 F CA -1.017 57.172 58.000 0.316 0.000 1.151 405 F CB 0.387 39.632 39.000 0.409 0.000 1.222 405 F HN 0.450 nan 8.300 nan 0.000 0.558 406 L N 7.048 128.509 121.223 0.397 0.000 2.558 406 L HA -0.080 4.260 4.340 -0.000 0.000 0.301 406 L C -1.994 175.060 176.870 0.307 0.000 1.267 406 L CA -1.290 53.724 54.840 0.291 0.000 0.854 406 L CB -0.229 41.967 42.059 0.227 0.000 1.103 406 L HN 0.447 nan 8.230 nan 0.000 0.522 407 P HA 0.009 nan 4.420 nan 0.000 0.262 407 P C -0.972 176.365 177.300 0.060 0.000 1.182 407 P CA 0.681 63.840 63.100 0.098 0.000 0.761 407 P CB 0.353 32.102 31.700 0.081 0.000 0.795 408 H N 1.239 120.145 119.070 -0.273 0.000 2.917 408 H HA 0.541 5.097 4.556 -0.000 0.000 0.299 408 H C -1.609 173.581 175.328 -0.231 0.000 1.418 408 H CA -0.928 54.802 56.048 -0.530 0.000 1.138 408 H CB 0.444 29.323 29.762 -1.473 0.000 1.830 408 H HN 0.320 nan 8.280 nan 0.000 0.514 409 F N -0.331 119.382 119.950 -0.395 0.000 2.613 409 F HA 0.534 5.061 4.527 -0.000 0.000 0.310 409 F C -1.172 174.567 175.800 -0.102 0.000 1.085 409 F CA -1.176 56.654 58.000 -0.283 0.000 0.945 409 F CB 1.440 40.352 39.000 -0.147 0.000 1.298 409 F HN 0.348 nan 8.300 nan 0.000 0.455 410 N N 1.391 120.182 118.700 0.152 0.000 2.444 410 N HA 0.119 4.859 4.740 -0.000 0.000 0.271 410 N C 0.862 176.513 175.510 0.235 0.000 1.069 410 N CA 0.420 53.552 53.050 0.135 0.000 0.965 410 N CB 1.951 40.542 38.487 0.173 0.000 1.092 410 N HN 0.908 nan 8.380 nan 0.000 0.476 411 S N 2.872 118.667 115.700 0.158 0.000 2.368 411 S HA -0.187 4.282 4.470 -0.000 0.000 0.225 411 S C 1.099 175.801 174.600 0.170 0.000 1.030 411 S CA 1.170 59.497 58.200 0.213 0.000 0.999 411 S CB -0.045 63.227 63.200 0.121 0.000 0.844 411 S HN 0.798 nan 8.310 nan 0.000 0.459 412 K N -0.242 120.237 120.400 0.132 0.000 2.585 412 K HA 0.577 4.897 4.320 -0.000 0.000 0.210 412 K C 0.119 176.770 176.600 0.086 0.000 1.294 412 K CA 0.113 56.460 56.287 0.101 0.000 1.025 412 K CB 0.592 33.143 32.500 0.084 0.000 1.076 412 K HN 0.305 nan 8.250 nan 0.000 0.613 413 A N 2.058 124.949 122.820 0.118 0.000 2.309 413 A HA 0.568 4.888 4.320 -0.000 0.000 0.298 413 A C -0.299 177.298 177.584 0.021 0.000 1.165 413 A CA -0.729 51.365 52.037 0.096 0.000 0.821 413 A CB 0.155 19.311 19.000 0.260 0.000 1.102 413 A HN 0.334 nan 8.150 nan 0.000 0.500 414 I N 3.152 123.675 120.570 -0.078 0.000 2.312 414 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 414 I C -0.591 175.423 176.117 -0.172 0.000 1.031 414 I CA -0.371 60.840 61.300 -0.147 0.000 1.293 414 I CB 1.262 39.135 38.000 -0.211 0.000 1.403 414 I HN 0.255 nan 8.210 nan 0.000 0.484 415 V N 7.704 127.560 119.914 -0.096 0.000 2.394 415 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 415 V C 0.110 176.205 176.094 0.001 0.000 1.031 415 V CA -0.649 61.630 62.300 -0.034 0.000 0.881 415 V CB 1.912 33.815 31.823 0.133 0.000 0.982 415 V HN 0.371 nan 8.190 nan 0.000 0.451 416 V N 6.603 126.534 119.914 0.028 0.000 2.350 416 V HA 0.384 4.504 4.120 -0.000 0.000 0.276 416 V C -0.187 176.093 176.094 0.310 0.000 1.028 416 V CA -0.530 61.837 62.300 0.111 0.000 0.860 416 V CB 1.284 33.122 31.823 0.025 0.000 0.990 416 V HN 0.539 nan 8.190 nan 0.000 0.453 417 L N 6.165 127.596 121.223 0.347 0.000 2.312 417 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 417 L C -0.062 177.063 176.870 0.426 0.000 1.070 417 L CA 0.069 55.155 54.840 0.411 0.000 0.805 417 L CB 1.881 44.135 42.059 0.325 0.000 1.174 417 L HN 0.618 nan 8.230 nan 0.000 0.434 418 V N 2.672 122.871 119.914 0.475 0.000 2.409 418 V HA 0.536 4.656 4.120 -0.000 0.000 0.290 418 V C -0.266 176.085 176.094 0.428 0.000 1.017 418 V CA -0.791 61.766 62.300 0.428 0.000 0.841 418 V CB 1.536 33.612 31.823 0.421 0.000 1.003 418 V HN 0.439 nan 8.190 nan 0.000 0.426 419 I N 4.737 125.512 120.570 0.341 0.000 2.421 419 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 419 I C 1.412 177.688 176.117 0.266 0.000 1.089 419 I CA 0.591 62.076 61.300 0.308 0.000 1.354 419 I CB -0.086 38.047 38.000 0.223 0.000 1.413 419 I HN 0.962 nan 8.210 nan 0.000 0.513 420 N N 4.998 123.883 118.700 0.308 0.000 2.258 420 N HA -0.013 4.727 4.740 -0.000 0.000 0.183 420 N C 0.415 176.024 175.510 0.165 0.000 1.029 420 N CA 0.425 53.612 53.050 0.229 0.000 0.857 420 N CB 0.874 39.555 38.487 0.324 0.000 1.008 420 N HN 0.732 nan 8.380 nan 0.000 0.433 421 E N -0.774 119.533 120.200 0.178 0.000 2.308 421 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 421 E C -0.872 175.804 176.600 0.127 0.000 0.890 421 E CA -0.258 56.218 56.400 0.126 0.000 0.754 421 E CB 1.945 31.705 29.700 0.101 0.000 1.207 421 E HN 0.389 nan 8.360 nan 0.000 0.426 422 G N 2.575 111.434 108.800 0.098 0.000 2.549 422 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.404 422 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.404 422 G C -1.193 173.761 174.900 0.090 0.000 1.292 422 G CA -0.337 44.817 45.100 0.090 0.000 0.935 422 G HN 0.555 nan 8.290 nan 0.000 0.512 423 E N -0.891 119.356 120.200 0.078 0.000 2.393 423 E HA 0.878 5.228 4.350 -0.000 0.000 0.273 423 E C 0.129 176.762 176.600 0.054 0.000 0.918 423 E CA 0.061 56.501 56.400 0.067 0.000 0.773 423 E CB 2.075 31.809 29.700 0.057 0.000 1.275 423 E HN 1.898 nan 8.360 nan 0.000 0.451 424 A N 1.581 124.418 122.820 0.028 0.000 2.605 424 A HA 0.636 4.956 4.320 -0.000 0.000 0.294 424 A C -1.627 175.937 177.584 -0.034 0.000 1.062 424 A CA -0.965 51.075 52.037 0.005 0.000 0.682 424 A CB 1.200 20.195 19.000 -0.009 0.000 1.278 424 A HN 0.445 nan 8.150 nan 0.000 0.410 425 N N 0.670 119.352 118.700 -0.030 0.000 2.430 425 N HA 0.603 5.343 4.740 -0.000 0.000 0.292 425 N C -1.161 174.290 175.510 -0.097 0.000 1.051 425 N CA -0.109 52.909 53.050 -0.053 0.000 0.917 425 N CB 2.020 40.499 38.487 -0.013 0.000 1.164 425 N HN 0.720 nan 8.380 nan 0.000 0.484 426 I N 0.383 120.846 120.570 -0.179 0.000 2.545 426 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 426 I C -0.812 175.200 176.117 -0.176 0.000 1.040 426 I CA -0.619 60.525 61.300 -0.261 0.000 1.068 426 I CB 1.665 39.302 38.000 -0.604 0.000 1.251 426 I HN 0.333 nan 8.210 nan 0.000 0.424 427 E N 6.778 126.919 120.200 -0.099 0.000 2.210 427 E HA 0.477 4.827 4.350 -0.000 0.000 0.266 427 E C -1.614 175.007 176.600 0.033 0.000 0.883 427 E CA -0.784 55.616 56.400 -0.000 0.000 0.761 427 E CB 2.945 32.655 29.700 0.016 0.000 1.156 427 E HN 0.352 nan 8.360 nan 0.000 0.412 428 L N 3.026 124.344 121.223 0.159 0.000 2.386 428 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 428 L C -1.519 175.515 176.870 0.273 0.000 0.993 428 L CA -0.839 54.130 54.840 0.216 0.000 0.819 428 L CB 2.035 44.286 42.059 0.320 0.000 1.294 428 L HN 0.315 nan 8.230 nan 0.000 0.414 429 V N 4.404 124.424 119.914 0.177 0.000 2.409 429 V HA 0.839 4.959 4.120 -0.000 0.000 0.291 429 V C 0.501 176.593 176.094 -0.003 0.000 1.020 429 V CA -0.163 62.198 62.300 0.100 0.000 0.848 429 V CB 0.985 32.802 31.823 -0.010 0.000 0.990 429 V HN 0.915 nan 8.190 nan 0.000 0.430 430 G N 4.191 113.040 108.800 0.082 0.000 2.667 430 G HA2 0.775 4.735 3.960 -0.000 0.000 0.310 430 G HA3 0.775 4.735 3.960 -0.000 0.000 0.310 430 G C -0.864 173.960 174.900 -0.126 0.000 1.259 430 G CA -0.615 44.428 45.100 -0.095 0.000 1.019 430 G HN 0.382 nan 8.290 nan 0.000 0.496 445 L N 2.255 123.468 121.223 -0.017 0.000 2.667 445 L HA 0.026 4.366 4.340 -0.000 0.000 0.278 445 L C 0.448 177.304 176.870 -0.024 0.000 1.217 445 L CA 0.898 55.726 54.840 -0.021 0.000 0.935 445 L CB 0.294 42.338 42.059 -0.025 0.000 1.193 445 L HN 0.368 nan 8.230 nan 0.000 0.493 446 E N 3.567 123.752 120.200 -0.025 0.000 2.222 446 E HA 0.395 4.745 4.350 -0.000 0.000 0.272 446 E C -0.673 175.903 176.600 -0.040 0.000 0.982 446 E CA -0.846 55.536 56.400 -0.030 0.000 0.842 446 E CB 2.166 31.849 29.700 -0.028 0.000 1.144 446 E HN 0.518 nan 8.360 nan 0.000 0.397 447 V N -0.113 119.774 119.914 -0.046 0.000 2.863 447 V HA 0.553 4.673 4.120 -0.000 0.000 0.307 447 V C -0.164 175.885 176.094 -0.075 0.000 1.061 447 V CA -0.886 61.378 62.300 -0.060 0.000 1.024 447 V CB 1.372 33.160 31.823 -0.057 0.000 1.049 447 V HN 0.531 nan 8.190 nan 0.000 0.471 448 R N 2.091 122.534 120.500 -0.095 0.000 2.294 448 R HA 0.473 4.813 4.340 -0.000 0.000 0.319 448 R C -0.440 175.711 176.300 -0.247 0.000 0.984 448 R CA -0.325 55.652 56.100 -0.204 0.000 0.861 448 R CB 0.990 31.136 30.300 -0.256 0.000 1.104 448 R HN 0.854 nan 8.270 nan 0.000 0.451 449 K N 4.878 125.126 120.400 -0.253 0.000 2.299 449 K HA 0.203 4.523 4.320 -0.000 0.000 0.268 449 K C -1.022 175.484 176.600 -0.156 0.000 1.075 449 K CA -0.292 55.914 56.287 -0.135 0.000 0.936 449 K CB 0.870 33.333 32.500 -0.061 0.000 1.228 449 K HN 0.489 nan 8.250 nan 0.000 0.454 450 Y N 2.271 122.661 120.300 0.150 0.000 2.327 450 Y HA 0.280 4.830 4.550 -0.000 0.000 0.336 450 Y C 0.616 176.621 175.900 0.176 0.000 1.035 450 Y CA -0.690 57.540 58.100 0.216 0.000 1.165 450 Y CB 0.864 39.547 38.460 0.373 0.000 1.181 450 Y HN 0.228 nan 8.280 nan 0.000 0.494 451 R N 2.142 122.810 120.500 0.280 0.000 2.807 451 R HA 0.926 5.266 4.340 -0.000 0.000 0.276 451 R C -1.227 175.167 176.300 0.157 0.000 0.979 451 R CA -1.421 54.777 56.100 0.163 0.000 0.928 451 R CB 2.070 32.426 30.300 0.093 0.000 1.191 451 R HN 0.737 nan 8.270 nan 0.000 0.471 452 A N 1.000 123.845 122.820 0.041 0.000 2.594 452 A HA 0.417 4.737 4.320 -0.000 0.000 0.296 452 A C -1.529 175.984 177.584 -0.118 0.000 1.056 452 A CA -0.776 51.239 52.037 -0.038 0.000 0.693 452 A CB 1.463 20.399 19.000 -0.107 0.000 1.278 452 A HN 0.635 nan 8.150 nan 0.000 0.408 453 E N 1.394 121.547 120.200 -0.080 0.000 2.133 453 E HA 0.548 4.898 4.350 -0.000 0.000 0.274 453 E C -1.063 175.515 176.600 -0.037 0.000 0.930 453 E CA -0.429 55.949 56.400 -0.036 0.000 0.770 453 E CB 1.656 31.376 29.700 0.034 0.000 1.104 453 E HN 0.540 nan 8.360 nan 0.000 0.403 454 L N 1.955 123.152 121.223 -0.043 0.000 2.322 454 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 454 L C 0.104 177.034 176.870 0.099 0.000 1.036 454 L CA -0.565 54.300 54.840 0.042 0.000 0.807 454 L CB 1.527 43.582 42.059 -0.007 0.000 1.226 454 L HN 0.460 nan 8.230 nan 0.000 0.433 455 S N 0.024 115.819 115.700 0.159 0.000 2.715 455 S HA 0.280 4.750 4.470 -0.000 0.000 0.307 455 S C -0.664 174.018 174.600 0.137 0.000 1.119 455 S CA -0.846 57.432 58.200 0.130 0.000 0.937 455 S CB 1.812 65.087 63.200 0.124 0.000 1.150 455 S HN 0.611 nan 8.310 nan 0.000 0.521 456 E N 0.371 120.635 120.200 0.107 0.000 2.465 456 E HA -0.034 4.316 4.350 -0.000 0.000 0.260 456 E C -0.177 176.474 176.600 0.085 0.000 0.980 456 E CA 0.605 57.065 56.400 0.099 0.000 0.927 456 E CB -0.008 29.734 29.700 0.069 0.000 0.934 456 E HN 0.593 nan 8.360 nan 0.000 0.459 457 Q N 0.683 120.542 119.800 0.098 0.000 2.342 457 Q HA -0.215 4.125 4.340 -0.000 0.000 0.196 457 Q C -0.707 175.378 176.000 0.142 0.000 0.629 457 Q CA 1.135 56.970 55.803 0.054 0.000 1.365 457 Q CB -0.941 27.743 28.738 -0.089 0.000 1.406 457 Q HN 0.659 nan 8.270 nan 0.000 0.840 458 D N -0.040 120.500 120.400 0.233 0.000 2.360 458 D HA 0.301 4.941 4.640 -0.000 0.000 0.242 458 D C 0.217 176.778 176.300 0.436 0.000 1.184 458 D CA 0.225 54.447 54.000 0.371 0.000 0.930 458 D CB 0.553 41.598 40.800 0.408 0.000 1.161 458 D HN 0.038 nan 8.370 nan 0.000 0.447 459 I N 1.154 122.044 120.570 0.534 0.000 2.608 459 I HA 0.414 4.584 4.170 -0.000 0.000 0.295 459 I C -0.787 175.704 176.117 0.624 0.000 1.049 459 I CA -0.696 60.903 61.300 0.498 0.000 1.063 459 I CB 1.285 39.499 38.000 0.357 0.000 1.248 459 I HN 0.230 nan 8.210 nan 0.000 0.424 460 F N 5.336 125.507 119.950 0.369 0.000 2.573 460 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 460 F C -0.984 174.970 175.800 0.258 0.000 1.148 460 F CA -0.590 57.616 58.000 0.344 0.000 0.940 460 F CB 1.656 40.770 39.000 0.191 0.000 1.214 460 F HN 0.085 nan 8.300 nan 0.000 0.448 461 V N 7.126 126.959 119.914 -0.135 0.000 2.407 461 V HA 0.385 4.505 4.120 -0.000 0.000 0.278 461 V C 0.057 176.014 176.094 -0.227 0.000 1.037 461 V CA -0.516 61.733 62.300 -0.085 0.000 0.900 461 V CB 1.448 33.261 31.823 -0.018 0.000 0.983 461 V HN 0.548 nan 8.190 nan 0.000 0.459 462 I N 7.282 127.802 120.570 -0.083 0.000 2.337 462 I HA 0.336 4.506 4.170 -0.000 0.000 0.285 462 I C -2.420 173.524 176.117 -0.289 0.000 1.041 462 I CA -1.928 59.290 61.300 -0.136 0.000 1.199 462 I CB 1.639 39.670 38.000 0.051 0.000 1.370 462 I HN 0.406 nan 8.210 nan 0.000 0.470 463 P HA 0.058 nan 4.420 nan 0.000 0.269 463 P C -0.170 176.926 177.300 -0.341 0.000 1.209 463 P CA -0.220 62.504 63.100 -0.627 0.000 0.776 463 P CB 0.659 31.584 31.700 -1.293 0.000 0.876 464 A N 2.894 125.620 122.820 -0.157 0.000 2.540 464 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 464 A C 1.603 179.269 177.584 0.136 0.000 1.061 464 A CA 0.868 52.916 52.037 0.018 0.000 0.758 464 A CB -1.414 17.604 19.000 0.029 0.000 0.991 464 A HN 0.875 nan 8.150 nan 0.000 0.502 465 G N 0.486 109.403 108.800 0.196 0.000 2.225 465 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 465 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 465 G C 0.001 174.889 174.900 -0.020 0.000 0.988 465 G CA 0.585 45.742 45.100 0.095 0.000 0.625 465 G HN 0.815 nan 8.290 nan 0.000 0.527 466 Y N 1.949 122.165 120.300 -0.140 0.000 2.393 466 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 466 Y C -1.792 174.039 175.900 -0.116 0.000 1.029 466 Y CA -2.687 55.319 58.100 -0.158 0.000 1.239 466 Y CB 0.781 39.136 38.460 -0.176 0.000 1.170 466 Y HN 0.012 nan 8.280 nan 0.000 0.515 467 P HA 0.115 nan 4.420 nan 0.000 0.268 467 P C -0.805 176.458 177.300 -0.062 0.000 1.205 467 P CA 0.096 63.185 63.100 -0.019 0.000 0.771 467 P CB 1.076 32.760 31.700 -0.028 0.000 0.858 468 V N 3.665 123.457 119.914 -0.202 0.000 3.147 468 V HA 0.615 4.735 4.120 -0.000 0.000 0.306 468 V C -1.438 174.544 176.094 -0.186 0.000 1.209 468 V CA -0.785 61.407 62.300 -0.181 0.000 1.023 468 V CB 2.695 34.399 31.823 -0.198 0.000 1.059 468 V HN 0.176 nan 8.190 nan 0.000 0.435 469 V N 4.446 124.314 119.914 -0.076 0.000 2.808 469 V HA 0.604 4.724 4.120 -0.000 0.000 0.308 469 V C -1.008 175.105 176.094 0.032 0.000 1.099 469 V CA -0.452 61.856 62.300 0.013 0.000 0.920 469 V CB 2.343 34.188 31.823 0.036 0.000 1.014 469 V HN 0.707 nan 8.190 nan 0.000 0.425 470 V N 4.068 124.076 119.914 0.155 0.000 2.444 470 V HA 0.518 4.638 4.120 -0.000 0.000 0.294 470 V C -0.463 175.748 176.094 0.196 0.000 1.022 470 V CA -0.716 61.668 62.300 0.139 0.000 0.850 470 V CB 1.926 33.873 31.823 0.207 0.000 0.992 470 V HN 0.867 nan 8.190 nan 0.000 0.426 471 N N 3.880 122.642 118.700 0.103 0.000 2.476 471 N HA 0.564 5.304 4.740 -0.000 0.000 0.257 471 N C -0.218 175.344 175.510 0.087 0.000 0.970 471 N CA -0.272 52.844 53.050 0.110 0.000 0.938 471 N CB 1.777 40.308 38.487 0.074 0.000 1.144 471 N HN 0.833 nan 8.380 nan 0.000 0.500 472 A N 2.960 125.846 122.820 0.110 0.000 2.444 472 A HA 0.238 4.558 4.320 -0.000 0.000 0.273 472 A C 1.079 178.702 177.584 0.064 0.000 1.136 472 A CA -0.113 51.978 52.037 0.089 0.000 0.799 472 A CB -0.091 18.967 19.000 0.097 0.000 1.081 472 A HN 0.770 nan 8.150 nan 0.000 0.509 473 T N 1.325 115.911 114.554 0.054 0.000 3.043 473 T HA 0.102 4.452 4.350 -0.000 0.000 0.263 473 T C 0.944 175.669 174.700 0.042 0.000 1.094 473 T CA 1.387 63.514 62.100 0.044 0.000 1.127 473 T CB -0.239 68.653 68.868 0.040 0.000 0.905 473 T HN 1.054 nan 8.240 nan 0.000 0.490 474 S N -0.131 115.597 115.700 0.047 0.000 2.688 474 S HA 0.427 4.897 4.470 -0.000 0.000 0.275 474 S C -1.993 172.633 174.600 0.044 0.000 1.175 474 S CA -1.120 57.105 58.200 0.041 0.000 0.818 474 S CB 1.072 64.297 63.200 0.042 0.000 1.157 474 S HN -0.081 nan 8.310 nan 0.000 0.482 475 D N 1.139 121.559 120.400 0.034 0.000 2.502 475 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 475 D C -0.522 175.809 176.300 0.050 0.000 1.188 475 D CA 0.470 54.486 54.000 0.028 0.000 0.890 475 D CB 0.112 40.922 40.800 0.017 0.000 1.140 475 D HN 0.471 nan 8.370 nan 0.000 0.505 476 L N 3.261 124.521 121.223 0.061 0.000 2.334 476 L HA 0.511 4.851 4.340 -0.000 0.000 0.276 476 L C -0.789 176.150 176.870 0.115 0.000 1.014 476 L CA -0.592 54.321 54.840 0.122 0.000 0.815 476 L CB 1.731 43.899 42.059 0.182 0.000 1.268 476 L HN 0.264 nan 8.230 nan 0.000 0.428 477 N N 3.598 122.402 118.700 0.173 0.000 2.500 477 N HA 0.647 5.387 4.740 -0.000 0.000 0.291 477 N C -1.685 173.990 175.510 0.275 0.000 1.092 477 N CA -0.472 52.640 53.050 0.103 0.000 0.890 477 N CB 1.012 39.543 38.487 0.075 0.000 1.466 477 N HN 0.448 nan 8.380 nan 0.000 0.507 478 F N 1.249 121.249 119.950 0.084 0.000 2.613 478 F HA 0.729 5.256 4.527 -0.000 0.000 0.314 478 F C -1.559 174.324 175.800 0.138 0.000 1.075 478 F CA -1.191 56.936 58.000 0.212 0.000 0.945 478 F CB 1.031 40.156 39.000 0.207 0.000 1.310 478 F HN 0.138 nan 8.300 nan 0.000 0.467 479 F N 1.057 121.158 119.950 0.252 0.000 2.541 479 F HA 0.863 5.390 4.527 -0.000 0.000 0.331 479 F C 0.041 175.987 175.800 0.243 0.000 1.057 479 F CA -1.062 56.994 58.000 0.094 0.000 0.975 479 F CB 2.248 41.244 39.000 -0.008 0.000 1.246 479 F HN 0.879 nan 8.300 nan 0.000 0.484 480 A N 1.639 124.622 122.820 0.270 0.000 2.455 480 A HA 0.761 5.081 4.320 -0.000 0.000 0.300 480 A C -1.894 175.700 177.584 0.018 0.000 1.040 480 A CA -0.488 51.723 52.037 0.289 0.000 0.697 480 A CB 0.677 19.932 19.000 0.425 0.000 1.265 480 A HN 0.543 nan 8.150 nan 0.000 0.407 481 F N 1.325 121.291 119.950 0.026 0.000 2.411 481 F HA 0.566 5.093 4.527 -0.000 0.000 0.352 481 F C 1.040 176.559 175.800 -0.470 0.000 1.123 481 F CA -0.315 57.585 58.000 -0.167 0.000 1.044 481 F CB 2.364 41.298 39.000 -0.111 0.000 1.135 481 F HN 0.664 nan 8.300 nan 0.000 0.461 482 G N 4.797 113.080 108.800 -0.861 0.000 2.468 482 G HA2 0.568 4.528 3.960 -0.000 0.000 0.320 482 G HA3 0.568 4.528 3.960 -0.000 0.000 0.320 482 G C -0.661 173.884 174.900 -0.592 0.000 1.137 482 G CA -0.360 44.031 45.100 -1.182 0.000 0.984 482 G HN 0.395 nan 8.290 nan 0.000 0.462 483 I N 1.672 122.004 120.570 -0.397 0.000 2.581 483 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 483 I C 1.330 177.353 176.117 -0.157 0.000 1.047 483 I CA -0.072 61.037 61.300 -0.318 0.000 1.374 483 I CB 1.073 38.761 38.000 -0.520 0.000 1.423 483 I HN 0.761 nan 8.210 nan 0.000 0.549 484 N N 3.270 121.933 118.700 -0.061 0.000 2.740 484 N HA -0.245 4.495 4.740 -0.000 0.000 0.248 484 N C 0.902 176.441 175.510 0.048 0.000 1.062 484 N CA 0.469 53.523 53.050 0.007 0.000 0.704 484 N CB -0.153 38.334 38.487 0.000 0.000 0.968 484 N HN 0.813 nan 8.380 nan 0.000 0.547 485 A N 0.352 123.214 122.820 0.071 0.000 2.014 485 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 485 A C 0.898 178.591 177.584 0.181 0.000 1.163 485 A CA 0.834 52.991 52.037 0.200 0.000 0.652 485 A CB -0.125 19.044 19.000 0.282 0.000 0.808 485 A HN 0.648 nan 8.150 nan 0.000 0.449 486 E N 0.610 120.879 120.200 0.114 0.000 2.820 486 E HA -0.104 4.246 4.350 -0.000 0.000 0.251 486 E C -0.444 176.199 176.600 0.072 0.000 0.944 486 E CA 0.552 57.002 56.400 0.083 0.000 0.955 486 E CB -0.396 29.339 29.700 0.059 0.000 0.904 486 E HN 0.566 nan 8.360 nan 0.000 0.513 487 N N 2.422 121.155 118.700 0.055 0.000 2.725 487 N HA -0.274 4.466 4.740 -0.000 0.000 0.249 487 N C -0.304 175.232 175.510 0.045 0.000 1.103 487 N CA 0.506 53.578 53.050 0.037 0.000 0.707 487 N CB -0.948 37.559 38.487 0.033 0.000 1.043 487 N HN 0.573 nan 8.380 nan 0.000 0.553 488 N N 1.028 119.766 118.700 0.064 0.000 2.479 488 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 488 N C -0.369 175.151 175.510 0.017 0.000 1.232 488 N CA 0.584 53.679 53.050 0.075 0.000 0.920 488 N CB 0.698 39.279 38.487 0.157 0.000 1.105 488 N HN 0.157 nan 8.380 nan 0.000 0.444 489 Q N 1.587 121.398 119.800 0.017 0.000 2.356 489 Q HA 0.373 4.713 4.340 -0.000 0.000 0.270 489 Q C -1.188 174.777 176.000 -0.058 0.000 1.058 489 Q CA -0.447 55.344 55.803 -0.018 0.000 0.802 489 Q CB 1.477 30.206 28.738 -0.014 0.000 1.303 489 Q HN 0.466 nan 8.270 nan 0.000 0.444 490 R N 2.670 123.137 120.500 -0.056 0.000 2.215 490 R HA 0.423 4.763 4.340 -0.000 0.000 0.336 490 R C -0.893 175.276 176.300 -0.219 0.000 0.996 490 R CA -0.270 55.755 56.100 -0.126 0.000 0.847 490 R CB 0.597 30.898 30.300 0.002 0.000 1.127 490 R HN 0.640 nan 8.270 nan 0.000 0.465 491 N N 3.305 121.694 118.700 -0.519 0.000 2.469 491 N HA 0.225 4.965 4.740 -0.000 0.000 0.253 491 N C -1.157 174.009 175.510 -0.574 0.000 0.970 491 N CA -0.383 52.344 53.050 -0.539 0.000 0.940 491 N CB 1.028 39.005 38.487 -0.850 0.000 1.128 491 N HN 0.220 nan 8.380 nan 0.000 0.503 492 F N 1.220 121.075 119.950 -0.159 0.000 2.371 492 F HA 0.294 4.821 4.527 -0.000 0.000 0.329 492 F C 1.268 177.048 175.800 -0.033 0.000 1.107 492 F CA -0.634 57.323 58.000 -0.072 0.000 1.137 492 F CB 1.070 40.018 39.000 -0.087 0.000 1.214 492 F HN 0.356 nan 8.300 nan 0.000 0.536 493 L N 2.001 123.329 121.223 0.176 0.000 2.766 493 L HA 0.497 4.837 4.340 -0.000 0.000 0.242 493 L C 0.250 177.182 176.870 0.103 0.000 1.136 493 L CA -0.022 54.899 54.840 0.135 0.000 0.933 493 L CB -0.088 42.052 42.059 0.135 0.000 1.241 493 L HN 0.641 nan 8.230 nan 0.000 0.522 494 A N -0.548 122.343 122.820 0.120 0.000 2.609 494 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 494 A C -0.175 177.398 177.584 -0.019 0.000 1.096 494 A CA -0.085 51.979 52.037 0.044 0.000 0.684 494 A CB 1.246 20.274 19.000 0.047 0.000 1.282 494 A HN 0.179 nan 8.150 nan 0.000 0.412 495 G N -0.629 108.122 108.800 -0.082 0.000 2.663 495 G HA2 0.275 4.235 3.960 -0.000 0.000 0.686 495 G HA3 0.275 4.235 3.960 -0.000 0.000 0.686 495 G C 0.501 175.282 174.900 -0.198 0.000 1.288 495 G CA 0.435 45.425 45.100 -0.184 0.000 0.836 495 G HN 2.173 nan 8.290 nan 0.000 0.584 496 S N -0.972 114.578 115.700 -0.250 0.000 2.603 496 S HA 0.317 4.787 4.470 -0.000 0.000 0.220 496 S C 0.707 175.151 174.600 -0.261 0.000 0.967 496 S CA 1.192 59.264 58.200 -0.213 0.000 0.920 496 S CB 0.160 63.250 63.200 -0.184 0.000 0.773 496 S HN 0.678 nan 8.310 nan 0.000 0.529 497 K N 0.962 121.119 120.400 -0.406 0.000 2.427 497 K HA 0.325 4.645 4.320 -0.000 0.000 0.252 497 K C -1.230 175.193 176.600 -0.294 0.000 0.931 497 K CA -0.700 55.346 56.287 -0.401 0.000 0.793 497 K CB 1.378 33.484 32.500 -0.657 0.000 1.211 497 K HN -0.173 nan 8.250 nan 0.000 0.426 498 D N 1.099 121.452 120.400 -0.079 0.000 2.811 498 D HA -0.197 4.443 4.640 -0.000 0.000 0.231 498 D C -0.514 175.842 176.300 0.095 0.000 1.157 498 D CA 0.947 54.986 54.000 0.064 0.000 0.716 498 D CB -0.844 40.090 40.800 0.224 0.000 1.077 498 D HN 0.484 nan 8.370 nan 0.000 0.428 499 N N 0.663 119.377 118.700 0.023 0.000 2.415 499 N HA 0.165 4.905 4.740 -0.000 0.000 0.246 499 N C 1.522 177.062 175.510 0.050 0.000 1.078 499 N CA 0.052 53.132 53.050 0.049 0.000 0.942 499 N CB 1.342 39.829 38.487 0.000 0.000 1.140 499 N HN 0.023 nan 8.380 nan 0.000 0.501 500 V N 3.587 123.539 119.914 0.064 0.000 2.407 500 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 500 V C 2.043 178.186 176.094 0.081 0.000 1.055 500 V CA 1.312 63.650 62.300 0.064 0.000 1.049 500 V CB -0.716 31.151 31.823 0.074 0.000 0.662 500 V HN 0.613 nan 8.190 nan 0.000 0.455 501 I N 2.516 123.146 120.570 0.099 0.000 2.264 501 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 501 I C 2.745 178.914 176.117 0.086 0.000 1.111 501 I CA 2.045 63.416 61.300 0.119 0.000 1.382 501 I CB -0.614 37.462 38.000 0.127 0.000 1.060 501 I HN 0.596 nan 8.210 nan 0.000 0.418 502 S N -0.128 115.603 115.700 0.052 0.000 2.603 502 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 502 S C 1.699 176.318 174.600 0.031 0.000 0.972 502 S CA 0.417 58.636 58.200 0.031 0.000 0.935 502 S CB -0.037 63.167 63.200 0.006 0.000 0.769 502 S HN 0.421 nan 8.310 nan 0.000 0.536 503 Q N 0.437 120.261 119.800 0.040 0.000 2.384 503 Q HA 0.401 4.741 4.340 -0.000 0.000 0.207 503 Q C 0.257 176.280 176.000 0.038 0.000 0.904 503 Q CA 0.083 55.906 55.803 0.034 0.000 0.933 503 Q CB 0.174 28.932 28.738 0.033 0.000 1.077 503 Q HN 0.620 nan 8.270 nan 0.000 0.522 504 I N 3.331 123.932 120.570 0.051 0.000 2.471 504 I HA 0.092 4.262 4.170 -0.000 0.000 0.286 504 I C -2.046 174.097 176.117 0.043 0.000 1.079 504 I CA -1.784 59.544 61.300 0.047 0.000 1.398 504 I CB 0.667 38.706 38.000 0.064 0.000 1.403 504 I HN -0.179 nan 8.210 nan 0.000 0.530 505 P HA 0.040 nan 4.420 nan 0.000 0.268 505 P C 0.485 177.804 177.300 0.032 0.000 1.208 505 P CA 0.105 63.220 63.100 0.025 0.000 0.777 505 P CB 0.616 32.326 31.700 0.016 0.000 0.875 506 S N 0.853 116.571 115.700 0.030 0.000 2.383 506 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 506 S C 1.690 176.309 174.600 0.032 0.000 1.030 506 S CA 1.498 59.719 58.200 0.036 0.000 1.002 506 S CB -0.551 62.666 63.200 0.027 0.000 0.829 506 S HN 0.548 nan 8.310 nan 0.000 0.467 507 Q N 0.578 120.390 119.800 0.020 0.000 2.096 507 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 507 Q C 2.253 178.258 176.000 0.007 0.000 0.982 507 Q CA 1.356 57.166 55.803 0.012 0.000 0.850 507 Q CB -0.552 28.190 28.738 0.007 0.000 0.901 507 Q HN 0.401 nan 8.270 nan 0.000 0.422 508 V N 0.348 120.265 119.914 0.004 0.000 2.407 508 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 508 V C 2.085 178.166 176.094 -0.021 0.000 1.041 508 V CA 1.648 63.939 62.300 -0.015 0.000 1.040 508 V CB -0.547 31.266 31.823 -0.017 0.000 0.671 508 V HN 0.381 nan 8.190 nan 0.000 0.455 509 Q N -0.039 119.779 119.800 0.029 0.000 2.096 509 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 509 Q C 2.301 178.369 176.000 0.112 0.000 0.982 509 Q CA 1.983 57.847 55.803 0.101 0.000 0.850 509 Q CB -0.200 28.645 28.738 0.179 0.000 0.901 509 Q HN 0.689 nan 8.270 nan 0.000 0.422 510 E N 0.478 120.723 120.200 0.075 0.000 2.204 510 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 510 E C 1.699 178.320 176.600 0.035 0.000 0.990 510 E CA 0.600 57.041 56.400 0.068 0.000 0.821 510 E CB 0.123 29.849 29.700 0.044 0.000 0.750 510 E HN 0.314 nan 8.360 nan 0.000 0.477 511 L N -0.624 120.596 121.223 -0.006 0.000 2.307 511 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 511 L C 2.314 179.133 176.870 -0.085 0.000 1.099 511 L CA 0.548 55.369 54.840 -0.033 0.000 0.816 511 L CB -0.007 42.029 42.059 -0.037 0.000 0.952 511 L HN 0.128 nan 8.230 nan 0.000 0.455 512 A N -0.203 122.516 122.820 -0.169 0.000 1.935 512 A HA 0.104 4.424 4.320 -0.000 0.000 0.214 512 A C 0.734 178.049 177.584 -0.447 0.000 1.178 512 A CA 0.648 52.454 52.037 -0.383 0.000 0.640 512 A CB -0.110 18.516 19.000 -0.624 0.000 0.825 512 A HN 0.206 nan 8.150 nan 0.000 0.447 513 F N -1.156 118.793 119.950 -0.001 0.000 2.507 513 F HA 0.403 4.930 4.527 -0.000 0.000 0.327 513 F C -1.079 174.720 175.800 -0.002 0.000 1.068 513 F CA -2.148 55.851 58.000 -0.002 0.000 0.965 513 F CB 1.405 40.405 39.000 -0.000 0.000 1.192 513 F HN -0.086 nan 8.300 nan 0.000 0.476 514 P HA -0.044 nan 4.420 nan 0.000 0.216 514 P C 0.719 178.071 177.300 0.086 0.000 1.153 514 P CA 0.829 63.994 63.100 0.108 0.000 0.848 514 P CB -0.089 31.660 31.700 0.082 0.000 0.787 515 G N 0.657 109.509 108.800 0.086 0.000 2.699 515 G HA2 0.243 4.203 3.960 -0.000 0.000 0.246 515 G HA3 0.243 4.203 3.960 -0.000 0.000 0.246 515 G C 0.250 175.185 174.900 0.059 0.000 1.219 515 G CA 0.119 45.248 45.100 0.048 0.000 0.866 515 G HN 0.401 nan 8.290 nan 0.000 0.572 516 S N -0.604 115.117 115.700 0.036 0.000 2.655 516 S HA 0.481 4.951 4.470 -0.000 0.000 0.265 516 S C 1.695 176.319 174.600 0.040 0.000 1.240 516 S CA 0.173 58.394 58.200 0.035 0.000 0.986 516 S CB 1.398 64.610 63.200 0.020 0.000 0.985 516 S HN 1.312 nan 8.310 nan 0.000 0.562 517 A N 0.616 123.459 122.820 0.037 0.000 2.019 517 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 517 A C 2.092 179.690 177.584 0.023 0.000 1.164 517 A CA 1.841 53.901 52.037 0.039 0.000 0.644 517 A CB -0.843 18.176 19.000 0.032 0.000 0.805 517 A HN 0.800 nan 8.150 nan 0.000 0.449 518 K N 0.248 120.657 120.400 0.014 0.000 2.044 518 K HA -0.076 4.243 4.320 -0.000 0.000 0.204 518 K C 1.358 177.957 176.600 -0.002 0.000 1.049 518 K CA 1.628 57.918 56.287 0.005 0.000 0.945 518 K CB -0.276 32.225 32.500 0.003 0.000 0.724 518 K HN 0.354 nan 8.250 nan 0.000 0.440 519 D N 0.308 120.706 120.400 -0.003 0.000 2.117 519 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 519 D C 1.919 178.201 176.300 -0.030 0.000 0.987 519 D CA 1.219 55.210 54.000 -0.015 0.000 0.829 519 D CB -0.095 40.698 40.800 -0.013 0.000 0.961 519 D HN 0.262 nan 8.370 nan 0.000 0.460 520 I N 0.877 121.435 120.570 -0.021 0.000 2.179 520 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 520 I C 2.502 178.598 176.117 -0.035 0.000 1.088 520 I CA 1.077 62.352 61.300 -0.042 0.000 1.357 520 I CB -0.207 37.803 38.000 0.017 0.000 1.051 520 I HN 0.001 nan 8.210 nan 0.000 0.409 521 E N 1.385 121.578 120.200 -0.011 0.000 2.072 521 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 521 E C 1.867 178.453 176.600 -0.023 0.000 0.985 521 E CA 1.339 57.732 56.400 -0.011 0.000 0.801 521 E CB -0.059 29.639 29.700 -0.002 0.000 0.750 521 E HN 0.539 nan 8.360 nan 0.000 0.452 522 N N 0.402 119.088 118.700 -0.023 0.000 2.104 522 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 522 N C 1.978 177.467 175.510 -0.035 0.000 1.024 522 N CA 0.998 54.032 53.050 -0.026 0.000 0.853 522 N CB -0.129 38.344 38.487 -0.022 0.000 1.008 522 N HN 0.115 nan 8.380 nan 0.000 0.424 523 L N 1.451 122.646 121.223 -0.046 0.000 1.994 523 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 523 L C 1.821 178.657 176.870 -0.057 0.000 1.071 523 L CA 1.518 56.323 54.840 -0.058 0.000 0.745 523 L CB -0.616 41.392 42.059 -0.085 0.000 0.892 523 L HN 0.153 nan 8.230 nan 0.000 0.431 524 I N -0.085 120.451 120.570 -0.058 0.000 2.335 524 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 524 I C 2.380 178.470 176.117 -0.045 0.000 1.129 524 I CA 1.430 62.700 61.300 -0.049 0.000 1.402 524 I CB -1.195 36.784 38.000 -0.035 0.000 1.069 524 I HN 0.420 nan 8.210 nan 0.000 0.424 525 K N -0.008 120.367 120.400 -0.041 0.000 2.418 525 K HA 0.034 4.354 4.320 -0.000 0.000 0.195 525 K C 2.150 178.724 176.600 -0.043 0.000 1.035 525 K CA 0.327 56.588 56.287 -0.042 0.000 1.003 525 K CB 0.206 32.685 32.500 -0.034 0.000 0.793 525 K HN 0.145 nan 8.250 nan 0.000 0.494 526 S N 1.293 116.968 115.700 -0.040 0.000 2.365 526 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 526 S C 1.023 175.599 174.600 -0.040 0.000 1.039 526 S CA 1.225 59.403 58.200 -0.037 0.000 1.033 526 S CB -0.141 63.039 63.200 -0.034 0.000 0.887 526 S HN 0.268 nan 8.310 nan 0.000 0.447 527 Q N 1.852 121.624 119.800 -0.046 0.000 2.369 527 Q HA 0.245 4.585 4.340 -0.000 0.000 0.247 527 Q C 0.724 176.680 176.000 -0.073 0.000 1.083 527 Q CA -0.155 55.616 55.803 -0.053 0.000 0.905 527 Q CB 0.581 29.288 28.738 -0.052 0.000 1.305 527 Q HN 0.305 nan 8.270 nan 0.000 0.465 528 S N 2.173 117.833 115.700 -0.068 0.000 2.528 528 S HA 0.129 4.599 4.470 -0.000 0.000 0.219 528 S C 0.366 174.902 174.600 -0.107 0.000 0.985 528 S CA -0.105 58.048 58.200 -0.080 0.000 0.914 528 S CB 0.161 63.325 63.200 -0.059 0.000 0.776 528 S HN 0.512 nan 8.310 nan 0.000 0.526 529 E N 2.263 122.398 120.200 -0.107 0.000 2.292 529 E HA 0.601 4.951 4.350 -0.000 0.000 0.258 529 E C -0.175 176.284 176.600 -0.234 0.000 1.115 529 E CA -0.269 56.051 56.400 -0.134 0.000 0.929 529 E CB 1.459 31.114 29.700 -0.076 0.000 1.161 529 E HN 0.456 nan 8.360 nan 0.000 0.453 530 S N -0.893 114.607 115.700 -0.333 0.000 2.564 530 S HA 0.542 5.012 4.470 -0.000 0.000 0.274 530 S C -0.045 174.154 174.600 -0.668 0.000 1.124 530 S CA -0.589 57.220 58.200 -0.653 0.000 0.869 530 S CB 1.396 63.983 63.200 -1.021 0.000 1.105 530 S HN 0.773 nan 8.310 nan 0.000 0.472 531 Y N -0.883 118.983 120.300 -0.722 0.000 2.747 531 Y HA -0.328 4.222 4.550 -0.000 0.000 0.477 531 Y C -0.126 175.415 175.900 -0.598 0.000 1.168 531 Y CA 1.503 59.009 58.100 -0.990 0.000 2.775 531 Y CB -1.181 36.624 38.460 -1.092 0.000 1.067 531 Y HN 0.672 nan 8.280 nan 0.000 0.583 532 F N 1.000 121.011 119.950 0.103 0.000 2.477 532 F HA 0.593 5.120 4.527 -0.000 0.000 0.335 532 F C 0.196 176.022 175.800 0.042 0.000 1.130 532 F CA -0.656 57.407 58.000 0.104 0.000 0.948 532 F CB 1.701 40.723 39.000 0.038 0.000 1.154 532 F HN 0.009 nan 8.300 nan 0.000 0.439 533 V N -1.220 118.829 119.914 0.225 0.000 3.156 533 V HA 0.584 4.704 4.120 -0.000 0.000 0.311 533 V C -0.762 175.400 176.094 0.113 0.000 1.208 533 V CA -0.986 61.387 62.300 0.121 0.000 1.063 533 V CB 1.978 33.839 31.823 0.063 0.000 1.098 533 V HN 0.630 nan 8.190 nan 0.000 0.452 534 D N 1.361 121.803 120.400 0.070 0.000 2.383 534 D HA 0.442 5.082 4.640 -0.000 0.000 0.252 534 D C 0.415 176.752 176.300 0.062 0.000 1.166 534 D CA 0.642 54.677 54.000 0.058 0.000 0.879 534 D CB 1.690 42.511 40.800 0.036 0.000 1.164 534 D HN 1.066 nan 8.370 nan 0.000 0.462 535 A N 0.000 122.860 122.820 0.067 0.000 2.254 535 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 535 A CA 0.000 52.076 52.037 0.065 0.000 0.836 535 A CB 0.000 19.042 19.000 0.071 0.000 0.831 535 A HN 0.000 nan 8.150 nan 0.000 0.486