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 1e8u_1_B DATA FIRST_RESID 124 DATA SEQUENCE GAPIHDPDFI GGIGKELIVD NASDVTSFYP SAFQEHLNFI PAPTTGSGcT DATA SEQUENCE RIPSFDMSAT HYcYTHNVIL SGcRDHSHSH QYLALGVLRT TATGRIFFST DATA SEQUENCE LRSISLDDTQ NRKScSVSAT PLGcDMLcSK VTETEEEDYN SAVPTLMAHG DATA SEQUENCE RLGFDGQYHE KDLDVTTLFE DWVANYPGVG GGSFIDGRVW FSVYGGLKPN DATA SEQUENCE SPSDTVQEGK YVIYKRYNDT cPDEQDYQIR MAKSSYKPGR FGGKRIQQAI DATA SEQUENCE LSIKVSTSLG EDPVLTVPPN TVTLMGAEGR ILTVGTSHFL YQRGSSYFSP DATA SEQUENCE ALLYPMTVSN KTATLHSPYT FNAFTRPGSI PcQASARcPN ScVTGVYTDP DATA SEQUENCE YPLIFYRNHT LRGVFGTMLD SEQARLNPAS AVFDSTSRSR ITRVSSSSTK DATA SEQUENCE AAYTTSTcFK VVKTNKTYcL SIAEISNTLF GEFRIVPLLV EILKNDGVR 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 124 G HA2 0.000 nan 3.960 nan 0.000 0.244 124 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 124 G C 0.000 174.901 174.900 0.002 0.000 0.946 124 G CA 0.000 45.116 45.100 0.027 0.000 0.502 125 A N 1.591 124.405 122.820 -0.010 0.000 2.483 125 A HA 0.571 4.891 4.320 0.001 0.000 0.238 125 A C -1.429 176.128 177.584 -0.045 0.000 1.070 125 A CA -0.601 51.417 52.037 -0.033 0.000 0.770 125 A CB 0.083 19.061 19.000 -0.036 0.000 1.008 125 A HN 0.079 nan 8.150 nan 0.000 0.497 126 P HA 0.334 nan 4.420 nan 0.000 0.218 126 P C -0.643 176.610 177.300 -0.078 0.000 1.793 126 P CA 0.611 63.689 63.100 -0.037 0.000 0.941 126 P CB -0.467 31.209 31.700 -0.041 0.000 1.919 127 I N -0.709 119.797 120.570 -0.106 0.000 2.947 127 I HA 0.261 4.431 4.170 0.001 0.000 0.301 127 I C -0.662 175.364 176.117 -0.153 0.000 1.453 127 I CA -1.102 60.097 61.300 -0.167 0.000 0.984 127 I CB 1.911 39.839 38.000 -0.120 0.000 1.333 127 I HN -0.003 nan 8.210 nan 0.000 0.475 128 H N 3.532 122.544 119.070 -0.098 0.000 3.016 128 H HA 0.040 4.596 4.556 0.001 0.000 0.345 128 H C -0.735 174.566 175.328 -0.044 0.000 1.066 128 H CA -0.064 55.873 56.048 -0.185 0.000 1.390 128 H CB 0.296 29.932 29.762 -0.211 0.000 1.344 128 H HN 0.401 nan 8.280 nan 0.000 0.605 129 D N 3.076 123.563 120.400 0.145 0.000 2.378 129 D HA -0.044 4.596 4.640 0.001 0.000 0.238 129 D C -1.240 175.194 176.300 0.223 0.000 1.180 129 D CA -1.650 52.458 54.000 0.180 0.000 0.895 129 D CB 0.362 41.279 40.800 0.195 0.000 1.192 129 D HN 0.385 nan 8.370 nan 0.000 0.438 130 P HA -0.157 nan 4.420 nan 0.000 0.217 130 P C 0.529 177.839 177.300 0.018 0.000 1.151 130 P CA 1.146 64.281 63.100 0.059 0.000 0.849 130 P CB 0.230 31.945 31.700 0.025 0.000 0.787 131 D N -1.835 118.522 120.400 -0.072 0.000 2.265 131 D HA -0.125 4.515 4.640 0.001 0.000 0.208 131 D C 1.387 177.469 176.300 -0.363 0.000 0.977 131 D CA 1.109 54.943 54.000 -0.276 0.000 0.871 131 D CB -0.526 39.980 40.800 -0.491 0.000 0.925 131 D HN 0.302 nan 8.370 nan 0.000 0.485 132 F N 0.386 120.311 119.950 -0.042 0.000 2.714 132 F HA 0.124 4.652 4.527 0.001 0.000 0.294 132 F C 1.059 176.854 175.800 -0.009 0.000 1.120 132 F CA -0.445 57.521 58.000 -0.055 0.000 1.398 132 F CB 0.040 38.917 39.000 -0.204 0.000 1.120 132 F HN -0.214 nan 8.300 nan 0.000 0.589 133 I N 1.903 122.580 120.570 0.180 0.000 2.872 133 I HA 0.009 4.180 4.170 0.001 0.000 0.287 133 I C 1.457 177.632 176.117 0.098 0.000 1.197 133 I CA 1.032 62.412 61.300 0.133 0.000 1.390 133 I CB -0.994 37.061 38.000 0.092 0.000 1.400 133 I HN 0.552 nan 8.210 nan 0.000 0.544 134 G N 5.161 114.024 108.800 0.106 0.000 2.176 134 G HA2 -0.187 3.773 3.960 0.001 0.000 0.232 134 G HA3 -0.187 3.773 3.960 0.001 0.000 0.232 134 G C 0.834 175.791 174.900 0.096 0.000 0.986 134 G CA -0.048 45.103 45.100 0.085 0.000 0.643 134 G HN 0.979 nan 8.290 nan 0.000 0.522 135 G N -0.292 108.584 108.800 0.127 0.000 3.575 135 G HA2 0.528 4.488 3.960 0.001 0.000 0.273 135 G HA3 0.528 4.488 3.960 0.001 0.000 0.273 135 G C 0.175 175.194 174.900 0.198 0.000 1.053 135 G CA -0.041 45.152 45.100 0.155 0.000 0.803 135 G HN 0.393 nan 8.290 nan 0.000 0.528 136 I N 0.432 121.099 120.570 0.161 0.000 2.474 136 I HA 0.481 4.651 4.170 0.001 0.000 0.294 136 I C 1.253 177.477 176.117 0.178 0.000 1.005 136 I CA -0.279 61.117 61.300 0.160 0.000 1.113 136 I CB 0.927 38.976 38.000 0.083 0.000 1.289 136 I HN 0.258 nan 8.210 nan 0.000 0.436 137 G N 5.158 114.099 108.800 0.236 0.000 2.187 137 G HA2 -0.275 3.686 3.960 0.001 0.000 0.261 137 G HA3 -0.275 3.686 3.960 0.001 0.000 0.261 137 G C 0.374 175.385 174.900 0.185 0.000 1.000 137 G CA 0.406 45.657 45.100 0.252 0.000 0.718 137 G HN 0.623 nan 8.290 nan 0.000 0.519 138 K N -0.343 120.150 120.400 0.156 0.000 2.303 138 K HA 0.491 4.812 4.320 0.001 0.000 0.233 138 K C 0.063 176.678 176.600 0.025 0.000 1.046 138 K CA -0.922 55.400 56.287 0.059 0.000 0.895 138 K CB 1.304 33.830 32.500 0.043 0.000 1.220 138 K HN 0.218 nan 8.250 nan 0.000 0.470 139 E N 1.695 121.807 120.200 -0.148 0.000 2.220 139 E HA -0.011 4.339 4.350 0.001 0.000 0.272 139 E C 0.552 177.140 176.600 -0.020 0.000 1.099 139 E CA -0.043 56.170 56.400 -0.312 0.000 0.907 139 E CB 0.327 29.609 29.700 -0.698 0.000 1.022 139 E HN 0.371 nan 8.360 nan 0.000 0.428 140 L N 3.386 124.685 121.223 0.127 0.000 2.044 140 L HA 0.032 4.372 4.340 0.001 0.000 0.205 140 L C 0.866 177.752 176.870 0.028 0.000 1.075 140 L CA 0.972 55.862 54.840 0.083 0.000 0.747 140 L CB 0.039 42.152 42.059 0.090 0.000 0.903 140 L HN 0.495 nan 8.230 nan 0.000 0.435 141 I N 0.778 121.371 120.570 0.038 0.000 2.410 141 I HA 0.202 4.372 4.170 0.001 0.000 0.286 141 I C -0.818 175.310 176.117 0.018 0.000 1.009 141 I CA -0.687 60.568 61.300 -0.075 0.000 1.111 141 I CB 2.040 39.812 38.000 -0.379 0.000 1.262 141 I HN -0.243 nan 8.210 nan 0.000 0.443 142 V N 1.773 121.699 119.914 0.021 0.000 2.284 142 V HA 0.578 4.698 4.120 0.001 0.000 0.274 142 V C -0.824 175.286 176.094 0.028 0.000 1.023 142 V CA -0.325 62.006 62.300 0.052 0.000 0.808 142 V CB 1.011 32.863 31.823 0.047 0.000 1.035 142 V HN 0.558 nan 8.190 nan 0.000 0.445 143 D N 3.714 124.114 120.400 0.000 0.000 2.646 143 D HA 0.421 5.062 4.640 0.001 0.000 0.245 143 D C -0.096 176.174 176.300 -0.050 0.000 1.099 143 D CA -0.356 53.658 54.000 0.024 0.000 0.849 143 D CB 2.706 43.578 40.800 0.120 0.000 1.448 143 D HN 0.529 nan 8.370 nan 0.000 0.489 144 N N 0.135 118.834 118.700 -0.002 0.000 2.397 144 N HA 0.107 4.848 4.740 0.001 0.000 0.190 144 N C 1.031 176.558 175.510 0.028 0.000 1.099 144 N CA 0.072 53.125 53.050 0.006 0.000 0.876 144 N CB 0.692 39.251 38.487 0.120 0.000 1.143 144 N HN 0.367 nan 8.380 nan 0.000 0.468 145 A N 0.807 123.649 122.820 0.037 0.000 2.070 145 A HA 0.208 4.528 4.320 0.001 0.000 0.221 145 A C 0.667 178.270 177.584 0.031 0.000 1.603 145 A CA 0.300 52.360 52.037 0.038 0.000 0.639 145 A CB -1.154 17.867 19.000 0.036 0.000 1.235 145 A HN 0.241 nan 8.150 nan 0.000 0.518 146 S N 1.634 117.356 115.700 0.037 0.000 2.810 146 S HA -0.031 4.439 4.470 0.001 0.000 0.329 146 S C -0.039 174.592 174.600 0.052 0.000 1.231 146 S CA -0.021 58.195 58.200 0.027 0.000 1.042 146 S CB -0.243 62.974 63.200 0.028 0.000 0.756 146 S HN 0.483 nan 8.310 nan 0.000 0.504 147 D N 1.660 122.071 120.400 0.018 0.000 2.449 147 D HA 0.002 4.643 4.640 0.001 0.000 0.236 147 D C 1.362 177.725 176.300 0.105 0.000 1.149 147 D CA -0.084 53.936 54.000 0.034 0.000 0.878 147 D CB 0.998 41.802 40.800 0.006 0.000 1.198 147 D HN 0.366 nan 8.370 nan 0.000 0.446 148 V N 2.697 122.673 119.914 0.102 0.000 2.270 148 V HA -0.245 3.875 4.120 0.001 0.000 0.245 148 V C 2.417 178.641 176.094 0.217 0.000 1.043 148 V CA 2.378 64.776 62.300 0.164 0.000 1.014 148 V CB -0.961 30.899 31.823 0.062 0.000 0.645 148 V HN 0.817 nan 8.190 nan 0.000 0.447 149 T N -0.793 113.824 114.554 0.105 0.000 3.155 149 T HA -0.097 4.254 4.350 0.001 0.000 0.264 149 T C 1.716 176.452 174.700 0.059 0.000 1.160 149 T CA 1.055 63.194 62.100 0.065 0.000 1.075 149 T CB -0.517 68.355 68.868 0.007 0.000 0.921 149 T HN 0.625 nan 8.240 nan 0.000 0.533 150 S N 0.156 115.882 115.700 0.044 0.000 2.453 150 S HA 0.151 4.622 4.470 0.001 0.000 0.231 150 S C 0.315 174.872 174.600 -0.070 0.000 1.005 150 S CA -0.425 57.726 58.200 -0.081 0.000 0.949 150 S CB -0.724 62.345 63.200 -0.219 0.000 0.774 150 S HN 0.478 nan 8.310 nan 0.000 0.510 151 F N 2.622 122.610 119.950 0.063 0.000 2.399 151 F HA 0.572 5.099 4.527 0.001 0.000 0.342 151 F C 0.118 175.979 175.800 0.101 0.000 1.106 151 F CA -1.011 57.010 58.000 0.036 0.000 1.196 151 F CB 0.608 39.585 39.000 -0.039 0.000 1.163 151 F HN 0.303 nan 8.300 nan 0.000 0.547 152 Y N 0.436 120.788 120.300 0.087 0.000 2.656 152 Y HA 0.690 5.241 4.550 0.001 0.000 0.334 152 Y C -3.498 172.415 175.900 0.023 0.000 1.179 152 Y CA -3.782 54.327 58.100 0.014 0.000 1.050 152 Y CB 0.687 39.116 38.460 -0.053 0.000 1.308 152 Y HN 0.218 nan 8.280 nan 0.000 0.456 153 P HA 0.301 nan 4.420 nan 0.000 0.279 153 P C -0.347 176.954 177.300 0.002 0.000 1.239 153 P CA -0.200 62.916 63.100 0.027 0.000 0.789 153 P CB 1.594 33.441 31.700 0.246 0.000 0.933 154 S N 2.230 117.877 115.700 -0.087 0.000 2.481 154 S HA 0.684 5.154 4.470 0.001 0.000 0.267 154 S C 0.261 174.831 174.600 -0.050 0.000 1.174 154 S CA -0.656 57.521 58.200 -0.038 0.000 1.027 154 S CB -0.201 62.953 63.200 -0.077 0.000 1.117 154 S HN 0.476 nan 8.310 nan 0.000 0.495 155 A N 0.009 122.800 122.820 -0.048 0.000 2.386 155 A HA 0.536 4.857 4.320 0.001 0.000 0.248 155 A C -0.354 177.249 177.584 0.031 0.000 1.082 155 A CA -0.570 51.404 52.037 -0.105 0.000 0.789 155 A CB -0.720 18.253 19.000 -0.046 0.000 1.025 155 A HN 0.562 nan 8.150 nan 0.000 0.490 156 F N 2.012 121.993 119.950 0.051 0.000 2.518 156 F HA 0.070 4.597 4.527 0.001 0.000 0.375 156 F C 1.388 177.232 175.800 0.074 0.000 1.097 156 F CA 0.225 58.264 58.000 0.064 0.000 1.108 156 F CB -0.636 38.399 39.000 0.058 0.000 1.078 156 F HN 0.625 nan 8.300 nan 0.000 0.564 157 Q N 1.977 121.948 119.800 0.285 0.000 2.306 157 Q HA 0.105 4.445 4.340 0.001 0.000 0.175 157 Q C -0.012 176.103 176.000 0.191 0.000 1.107 157 Q CA -0.929 54.997 55.803 0.206 0.000 1.170 157 Q CB 0.190 29.049 28.738 0.203 0.000 1.376 157 Q HN 0.422 nan 8.270 nan 0.000 0.618 158 E N 1.928 122.225 120.200 0.163 0.000 3.355 158 E HA -0.208 4.143 4.350 0.001 0.000 0.234 158 E C -0.695 175.993 176.600 0.148 0.000 0.952 158 E CA 0.441 56.930 56.400 0.149 0.000 0.928 158 E CB -0.834 28.952 29.700 0.143 0.000 0.873 158 E HN 0.292 nan 8.360 nan 0.000 0.525 159 H N 3.461 122.567 119.070 0.061 0.000 3.248 159 H HA -0.003 4.553 4.556 0.001 0.000 0.258 159 H C -0.124 175.219 175.328 0.025 0.000 0.923 159 H CA -0.047 56.012 56.048 0.018 0.000 1.416 159 H CB -0.044 29.718 29.762 0.001 0.000 1.523 159 H HN 0.368 nan 8.280 nan 0.000 0.528 160 L N 4.218 125.243 121.223 -0.329 0.000 2.467 160 L HA 0.025 4.365 4.340 0.001 0.000 0.270 160 L C 1.038 177.660 176.870 -0.414 0.000 1.205 160 L CA 0.202 54.917 54.840 -0.209 0.000 0.828 160 L CB 0.304 42.319 42.059 -0.072 0.000 1.101 160 L HN 0.831 nan 8.230 nan 0.000 0.479 161 N N -0.007 118.618 118.700 -0.125 0.000 2.241 161 N HA -0.004 4.736 4.740 0.001 0.000 0.238 161 N C 0.590 176.074 175.510 -0.043 0.000 1.244 161 N CA -0.461 52.502 53.050 -0.146 0.000 0.880 161 N CB -0.109 38.347 38.487 -0.053 0.000 1.179 161 N HN 0.552 nan 8.380 nan 0.000 0.513 162 F N -0.201 119.681 119.950 -0.112 0.000 2.502 162 F HA 0.423 4.950 4.527 0.001 0.000 0.298 162 F C 0.189 175.947 175.800 -0.071 0.000 1.111 162 F CA -0.434 57.557 58.000 -0.015 0.000 1.445 162 F CB -0.095 38.948 39.000 0.071 0.000 1.081 162 F HN -0.114 nan 8.300 nan 0.000 0.558 163 I N 3.244 123.286 120.570 -0.880 0.000 2.312 163 I HA 0.278 4.448 4.170 0.001 0.000 0.291 163 I C -2.120 173.813 176.117 -0.307 0.000 1.031 163 I CA -2.041 58.837 61.300 -0.703 0.000 1.293 163 I CB 0.660 38.101 38.000 -0.933 0.000 1.403 163 I HN -0.147 nan 8.210 nan 0.000 0.484 164 P HA 0.133 nan 4.420 nan 0.000 0.268 164 P C -0.323 176.933 177.300 -0.075 0.000 1.205 164 P CA -0.210 62.781 63.100 -0.181 0.000 0.771 164 P CB 0.696 32.166 31.700 -0.383 0.000 0.858 165 A N 4.735 127.514 122.820 -0.067 0.000 2.280 165 A HA 0.485 4.805 4.320 0.001 0.000 0.268 165 A C -2.095 175.459 177.584 -0.051 0.000 1.111 165 A CA -1.200 50.809 52.037 -0.046 0.000 0.814 165 A CB -1.275 17.708 19.000 -0.029 0.000 1.093 165 A HN 0.417 nan 8.150 nan 0.000 0.498 166 P HA 0.095 nan 4.420 nan 0.000 0.268 166 P C 0.944 178.223 177.300 -0.034 0.000 1.208 166 P CA 0.239 63.305 63.100 -0.056 0.000 0.777 166 P CB 0.472 32.143 31.700 -0.047 0.000 0.875 167 T N -0.008 114.530 114.554 -0.026 0.000 2.867 167 T HA -0.027 4.323 4.350 0.001 0.000 0.268 167 T C 0.749 175.443 174.700 -0.011 0.000 1.057 167 T CA 1.752 63.845 62.100 -0.011 0.000 1.136 167 T CB -0.482 68.389 68.868 0.005 0.000 0.874 167 T HN 0.674 nan 8.240 nan 0.000 0.466 168 T N -2.875 111.668 114.554 -0.019 0.000 2.926 168 T HA 0.662 5.012 4.350 0.001 0.000 0.289 168 T C 1.328 176.019 174.700 -0.015 0.000 1.054 168 T CA -0.226 61.864 62.100 -0.016 0.000 1.015 168 T CB 1.436 70.292 68.868 -0.019 0.000 1.167 168 T HN -0.052 nan 8.240 nan 0.000 0.526 169 G N 0.063 108.856 108.800 -0.012 0.000 2.511 169 G HA2 -0.001 3.959 3.960 0.001 0.000 0.217 169 G HA3 -0.001 3.959 3.960 0.001 0.000 0.217 169 G C 1.416 176.308 174.900 -0.013 0.000 1.133 169 G CA 0.656 45.750 45.100 -0.009 0.000 0.792 169 G HN 0.937 nan 8.290 nan 0.000 0.539 170 S N -0.315 115.374 115.700 -0.017 0.000 2.535 170 S HA 0.418 4.889 4.470 0.001 0.000 0.214 170 S C 1.312 175.899 174.600 -0.022 0.000 0.980 170 S CA 0.307 58.495 58.200 -0.021 0.000 0.907 170 S CB 0.467 63.655 63.200 -0.021 0.000 0.790 170 S HN 0.409 nan 8.310 nan 0.000 0.510 171 G N 0.676 109.462 108.800 -0.025 0.000 2.543 171 G HA2 0.574 4.535 3.960 0.001 0.000 0.267 171 G HA3 0.574 4.535 3.960 0.001 0.000 0.267 171 G C -0.189 174.698 174.900 -0.021 0.000 1.406 171 G CA -0.256 44.826 45.100 -0.030 0.000 1.048 171 G HN 1.021 nan 8.290 nan 0.000 0.548 172 c N -2.609 115.973 118.600 -0.029 0.000 3.318 172 c HA 0.916 5.486 4.570 0.001 0.000 0.322 172 c C -0.232 173.807 174.090 -0.085 0.000 1.398 172 c CA -0.203 56.116 56.329 -0.018 0.000 1.339 172 c CB 1.224 43.765 42.510 0.052 0.000 1.668 172 c HN 1.142 nan 8.230 nan 0.000 0.462 173 T N -0.188 114.290 114.554 -0.126 0.000 2.848 173 T HA 0.914 5.265 4.350 0.001 0.000 0.285 173 T C -0.720 173.854 174.700 -0.210 0.000 0.995 173 T CA -0.548 61.352 62.100 -0.334 0.000 0.970 173 T CB 1.381 69.888 68.868 -0.602 0.000 0.976 173 T HN 1.351 nan 8.240 nan 0.000 0.441 174 R N 1.643 122.012 120.500 -0.218 0.000 2.766 174 R HA 0.725 5.065 4.340 0.001 0.000 0.270 174 R C -0.886 175.273 176.300 -0.235 0.000 1.035 174 R CA -1.489 54.511 56.100 -0.168 0.000 0.911 174 R CB 0.456 30.690 30.300 -0.109 0.000 1.243 174 R HN 0.585 nan 8.270 nan 0.000 0.460 175 I N -0.105 120.185 120.570 -0.467 0.000 7.154 175 I HA -0.187 3.984 4.170 0.001 0.000 0.126 175 I C -2.157 173.674 176.117 -0.476 0.000 1.808 175 I CA -0.059 60.773 61.300 -0.780 0.000 2.123 175 I CB -1.197 36.550 38.000 -0.422 0.000 3.552 175 I HN 0.593 nan 8.210 nan 0.000 0.195 176 P HA 0.261 nan 4.420 nan 0.000 0.278 176 P C -0.379 176.836 177.300 -0.141 0.000 1.238 176 P CA -0.096 62.923 63.100 -0.136 0.000 0.794 176 P CB 2.032 33.801 31.700 0.116 0.000 0.955 177 S N 2.285 117.927 115.700 -0.097 0.000 2.547 177 S HA 0.726 5.196 4.470 0.001 0.000 0.281 177 S C -1.783 172.963 174.600 0.243 0.000 1.118 177 S CA -0.545 57.683 58.200 0.047 0.000 0.947 177 S CB 0.331 63.532 63.200 0.002 0.000 1.053 177 S HN 0.379 nan 8.310 nan 0.000 0.482 178 F N 3.081 123.151 119.950 0.201 0.000 2.596 178 F HA 0.667 5.194 4.527 0.001 0.000 0.311 178 F C -1.365 174.594 175.800 0.265 0.000 1.116 178 F CA -0.421 57.755 58.000 0.293 0.000 0.957 178 F CB 1.915 41.121 39.000 0.343 0.000 1.250 178 F HN 0.624 nan 8.300 nan 0.000 0.444 179 D N 5.530 125.699 120.400 -0.386 0.000 2.927 179 D HA 0.449 5.090 4.640 0.001 0.000 0.219 179 D C -1.703 174.356 176.300 -0.401 0.000 1.248 179 D CA -0.352 53.551 54.000 -0.161 0.000 0.861 179 D CB 1.964 42.784 40.800 0.033 0.000 1.677 179 D HN 0.723 nan 8.370 nan 0.000 0.511 180 M N 3.131 122.651 119.600 -0.132 0.000 2.263 180 M HA 0.507 4.987 4.480 0.001 0.000 0.295 180 M C -1.063 175.249 176.300 0.020 0.000 1.028 180 M CA -0.321 54.936 55.300 -0.071 0.000 0.921 180 M CB 1.565 34.220 32.600 0.093 0.000 1.601 180 M HN 0.501 nan 8.290 nan 0.000 0.440 181 S N 3.362 119.011 115.700 -0.085 0.000 2.719 181 S HA 0.721 5.191 4.470 0.001 0.000 0.285 181 S C 0.938 175.601 174.600 0.105 0.000 1.137 181 S CA -0.204 57.982 58.200 -0.023 0.000 1.012 181 S CB 1.272 64.372 63.200 -0.167 0.000 1.134 181 S HN 0.858 nan 8.310 nan 0.000 0.544 182 A N 0.086 122.974 122.820 0.113 0.000 2.216 182 A HA 0.117 4.437 4.320 0.001 0.000 0.214 182 A C 1.913 179.599 177.584 0.169 0.000 1.160 182 A CA 1.555 53.694 52.037 0.170 0.000 0.725 182 A CB -1.321 17.754 19.000 0.124 0.000 0.784 182 A HN 1.100 nan 8.150 nan 0.000 0.472 183 T N -4.172 110.388 114.554 0.011 0.000 2.964 183 T HA 0.273 4.623 4.350 0.001 0.000 0.250 183 T C 0.436 174.775 174.700 -0.602 0.000 0.982 183 T CA 0.591 62.586 62.100 -0.176 0.000 0.959 183 T CB 0.029 68.941 68.868 0.073 0.000 1.141 183 T HN 0.733 nan 8.240 nan 0.000 0.494 184 H N -0.382 118.363 119.070 -0.542 0.000 2.967 184 H HA 0.504 5.061 4.556 0.001 0.000 0.318 184 H C -1.821 173.438 175.328 -0.115 0.000 1.375 184 H CA -1.480 54.281 56.048 -0.479 0.000 1.132 184 H CB 0.455 30.018 29.762 -0.333 0.000 1.848 184 H HN 0.311 nan 8.280 nan 0.000 0.524 185 Y N -0.534 119.701 120.300 -0.107 0.000 2.587 185 Y HA 0.751 5.302 4.550 0.001 0.000 0.337 185 Y C -1.114 174.656 175.900 -0.216 0.000 1.065 185 Y CA -1.365 56.577 58.100 -0.264 0.000 1.126 185 Y CB 1.276 39.609 38.460 -0.212 0.000 1.279 185 Y HN 0.756 nan 8.280 nan 0.000 0.489 186 c N 2.378 120.927 118.600 -0.084 0.000 2.547 186 c HA 0.670 5.240 4.570 0.001 0.000 0.313 186 c C -1.381 172.792 174.090 0.138 0.000 1.191 186 c CA -0.793 55.542 56.329 0.011 0.000 1.474 186 c CB 0.616 43.101 42.510 -0.042 0.000 2.081 186 c HN 0.869 nan 8.230 nan 0.000 0.476 187 Y N 0.955 121.357 120.300 0.170 0.000 2.534 187 Y HA 0.742 5.292 4.550 0.001 0.000 0.345 187 Y C -0.353 175.616 175.900 0.115 0.000 1.031 187 Y CA -0.120 58.150 58.100 0.282 0.000 1.022 187 Y CB 2.054 40.868 38.460 0.590 0.000 1.292 187 Y HN 0.683 nan 8.280 nan 0.000 0.459 188 T N 5.251 119.263 114.554 -0.903 0.000 2.889 188 T HA 0.545 4.896 4.350 0.001 0.000 0.315 188 T C -1.986 172.302 174.700 -0.686 0.000 1.291 188 T CA -0.468 61.235 62.100 -0.662 0.000 1.028 188 T CB 0.808 69.504 68.868 -0.286 0.000 1.235 188 T HN 0.975 nan 8.240 nan 0.000 0.491 189 H N 1.752 120.654 119.070 -0.281 0.000 3.017 189 H HA 0.524 5.081 4.556 0.001 0.000 0.346 189 H C -1.376 173.936 175.328 -0.027 0.000 1.286 189 H CA -1.086 54.870 56.048 -0.154 0.000 1.120 189 H CB 1.412 31.152 29.762 -0.036 0.000 1.860 189 H HN 0.503 nan 8.280 nan 0.000 0.542 190 N N 1.529 120.309 118.700 0.134 0.000 2.430 190 N HA 0.276 5.017 4.740 0.001 0.000 0.292 190 N C -1.240 174.274 175.510 0.007 0.000 1.051 190 N CA -0.348 52.750 53.050 0.080 0.000 0.917 190 N CB 2.122 40.613 38.487 0.005 0.000 1.164 190 N HN 0.371 nan 8.380 nan 0.000 0.484 191 V N 4.919 124.867 119.914 0.056 0.000 2.495 191 V HA 0.507 4.627 4.120 0.001 0.000 0.298 191 V C 0.205 176.261 176.094 -0.062 0.000 1.031 191 V CA -0.691 61.597 62.300 -0.019 0.000 0.871 191 V CB 1.498 33.350 31.823 0.048 0.000 0.988 191 V HN 0.545 nan 8.190 nan 0.000 0.432 192 I N 4.751 125.273 120.570 -0.081 0.000 2.404 192 I HA 0.273 4.443 4.170 0.001 0.000 0.293 192 I C 0.380 176.438 176.117 -0.097 0.000 0.992 192 I CA -0.541 60.703 61.300 -0.093 0.000 1.149 192 I CB 2.169 40.131 38.000 -0.063 0.000 1.315 192 I HN 0.487 nan 8.210 nan 0.000 0.446 193 L N 3.572 124.722 121.223 -0.121 0.000 2.240 193 L HA 0.089 4.430 4.340 0.001 0.000 0.211 193 L C 0.923 177.761 176.870 -0.054 0.000 1.106 193 L CA 1.224 56.010 54.840 -0.091 0.000 0.793 193 L CB -0.325 41.670 42.059 -0.107 0.000 0.927 193 L HN 0.506 nan 8.230 nan 0.000 0.446 194 S N -0.736 114.934 115.700 -0.050 0.000 2.776 194 S HA 0.605 5.075 4.470 0.001 0.000 0.284 194 S C -0.020 174.554 174.600 -0.043 0.000 1.160 194 S CA -0.099 58.079 58.200 -0.037 0.000 1.051 194 S CB 0.303 63.487 63.200 -0.027 0.000 1.037 194 S HN 0.620 nan 8.310 nan 0.000 0.485 195 G N 2.358 111.138 108.800 -0.035 0.000 2.642 195 G HA2 -0.193 3.767 3.960 0.001 0.000 0.231 195 G HA3 -0.193 3.767 3.960 0.001 0.000 0.231 195 G C 0.281 175.164 174.900 -0.028 0.000 1.338 195 G CA -0.100 44.980 45.100 -0.033 0.000 0.883 195 G HN 1.487 nan 8.290 nan 0.000 0.570 196 c N 1.240 119.827 118.600 -0.021 0.000 3.463 196 c HA 0.440 5.011 4.570 0.001 0.000 0.283 196 c C 0.599 174.671 174.090 -0.029 0.000 2.452 196 c CA -0.689 55.645 56.329 0.008 0.000 1.624 196 c CB -1.259 41.318 42.510 0.112 0.000 3.368 196 c HN 0.605 nan 8.230 nan 0.000 0.407 197 R N 1.293 121.706 120.500 -0.144 0.000 2.347 197 R HA 0.122 4.462 4.340 0.001 0.000 0.304 197 R C 0.973 177.082 176.300 -0.317 0.000 1.072 197 R CA -0.091 55.805 56.100 -0.339 0.000 0.980 197 R CB 0.690 30.556 30.300 -0.724 0.000 0.986 197 R HN 0.390 nan 8.270 nan 0.000 0.448 198 D N 1.775 122.094 120.400 -0.136 0.000 2.265 198 D HA -0.142 4.498 4.640 0.001 0.000 0.208 198 D C 0.396 176.706 176.300 0.016 0.000 0.977 198 D CA 1.112 55.114 54.000 0.003 0.000 0.871 198 D CB 0.246 41.112 40.800 0.109 0.000 0.925 198 D HN 0.542 nan 8.370 nan 0.000 0.485 199 H N -0.804 118.266 119.070 0.000 0.000 2.640 199 H HA 0.513 5.070 4.556 0.001 0.000 0.220 199 H C -0.461 174.832 175.328 -0.057 0.000 1.852 199 H CA -0.382 55.653 56.048 -0.021 0.000 1.275 199 H CB -0.609 29.144 29.762 -0.014 0.000 1.675 199 H HN -0.136 nan 8.280 nan 0.000 0.523 200 S N 1.492 117.123 115.700 -0.116 0.000 2.552 200 S HA 0.178 4.648 4.470 0.001 0.000 0.272 200 S C -0.969 173.567 174.600 -0.107 0.000 1.150 200 S CA -0.745 57.358 58.200 -0.162 0.000 0.849 200 S CB 1.075 64.181 63.200 -0.158 0.000 1.113 200 S HN 0.610 nan 8.310 nan 0.000 0.458 201 H N 1.899 120.964 119.070 -0.009 0.000 2.948 201 H HA 0.394 4.950 4.556 0.001 0.000 0.351 201 H C 0.669 175.977 175.328 -0.033 0.000 1.079 201 H CA 0.968 57.019 56.048 0.005 0.000 1.407 201 H CB 0.654 30.425 29.762 0.015 0.000 1.373 201 H HN 0.709 nan 8.280 nan 0.000 0.605 202 S N 2.227 118.021 115.700 0.156 0.000 2.618 202 S HA 0.501 4.971 4.470 0.001 0.000 0.277 202 S C -0.986 173.752 174.600 0.230 0.000 1.138 202 S CA -1.007 57.234 58.200 0.068 0.000 0.844 202 S CB 2.418 65.653 63.200 0.058 0.000 1.127 202 S HN 0.750 nan 8.310 nan 0.000 0.474 203 H N -0.007 119.090 119.070 0.045 0.000 2.572 203 H HA 0.544 5.101 4.556 0.001 0.000 0.359 203 H C -0.993 174.367 175.328 0.054 0.000 1.134 203 H CA -0.817 55.253 56.048 0.036 0.000 1.187 203 H CB 1.945 31.731 29.762 0.040 0.000 1.597 203 H HN 0.574 nan 8.280 nan 0.000 0.524 204 Q N 2.351 122.233 119.800 0.137 0.000 2.290 204 Q HA 0.178 4.518 4.340 0.001 0.000 0.259 204 Q C -1.702 174.341 176.000 0.072 0.000 0.941 204 Q CA -0.739 55.113 55.803 0.083 0.000 0.912 204 Q CB 0.701 29.430 28.738 -0.014 0.000 1.244 204 Q HN 0.526 nan 8.270 nan 0.000 0.441 205 Y N 4.679 124.978 120.300 -0.001 0.000 2.320 205 Y HA 0.611 5.161 4.550 0.001 0.000 0.334 205 Y C -1.827 173.978 175.900 -0.158 0.000 1.055 205 Y CA -1.109 56.946 58.100 -0.075 0.000 1.143 205 Y CB 0.886 39.296 38.460 -0.083 0.000 1.193 205 Y HN 0.672 nan 8.280 nan 0.000 0.477 206 L N 5.962 126.710 121.223 -0.791 0.000 2.408 206 L HA 0.944 5.284 4.340 0.001 0.000 0.268 206 L C -1.606 174.861 176.870 -0.672 0.000 0.986 206 L CA -0.527 53.949 54.840 -0.606 0.000 0.820 206 L CB 1.761 43.614 42.059 -0.344 0.000 1.303 206 L HN 0.784 nan 8.230 nan 0.000 0.411 207 A N 4.126 126.713 122.820 -0.389 0.000 2.515 207 A HA 0.807 5.128 4.320 0.001 0.000 0.298 207 A C -2.167 175.370 177.584 -0.078 0.000 1.059 207 A CA -0.519 51.403 52.037 -0.191 0.000 0.698 207 A CB 1.655 20.658 19.000 0.005 0.000 1.289 207 A HN 0.798 nan 8.150 nan 0.000 0.404 208 L N 1.510 122.635 121.223 -0.164 0.000 2.333 208 L HA 0.895 5.235 4.340 0.001 0.000 0.280 208 L C 0.167 176.784 176.870 -0.423 0.000 1.004 208 L CA 0.309 54.963 54.840 -0.311 0.000 0.820 208 L CB 1.280 43.096 42.059 -0.405 0.000 1.247 208 L HN 1.170 nan 8.230 nan 0.000 0.416 209 G N 3.330 111.610 108.800 -0.866 0.000 2.788 209 G HA2 0.724 4.684 3.960 0.001 0.000 0.293 209 G HA3 0.724 4.684 3.960 0.001 0.000 0.293 209 G C -1.636 172.637 174.900 -1.045 0.000 1.392 209 G CA -0.029 44.470 45.100 -1.001 0.000 0.810 209 G HN 1.136 nan 8.290 nan 0.000 0.508 210 V N -2.438 117.186 119.914 -0.483 0.000 3.114 210 V HA 0.759 4.879 4.120 0.001 0.000 0.308 210 V C -0.594 175.395 176.094 -0.175 0.000 1.168 210 V CA -1.181 61.016 62.300 -0.172 0.000 1.015 210 V CB 1.563 33.262 31.823 -0.206 0.000 1.050 210 V HN 0.755 nan 8.190 nan 0.000 0.433 211 L N 2.702 123.715 121.223 -0.351 0.000 2.349 211 L HA 0.658 4.998 4.340 0.001 0.000 0.275 211 L C 0.460 176.708 176.870 -1.036 0.000 1.115 211 L CA -0.134 53.968 54.840 -1.230 0.000 0.820 211 L CB 0.982 41.663 42.059 -2.297 0.000 1.135 211 L HN 0.739 nan 8.230 nan 0.000 0.445 212 R N 0.910 120.828 120.500 -0.969 0.000 2.855 212 R HA 0.689 5.029 4.340 0.001 0.000 0.266 212 R C -1.052 175.011 176.300 -0.396 0.000 1.034 212 R CA -0.837 54.887 56.100 -0.626 0.000 0.944 212 R CB 2.402 32.114 30.300 -0.981 0.000 1.219 212 R HN 0.632 nan 8.270 nan 0.000 0.474 213 T N -1.940 112.596 114.554 -0.030 0.000 2.900 213 T HA 0.389 4.739 4.350 0.001 0.000 0.295 213 T C 0.353 175.246 174.700 0.321 0.000 1.044 213 T CA -0.861 61.336 62.100 0.161 0.000 0.995 213 T CB 1.776 70.681 68.868 0.062 0.000 1.072 213 T HN 0.662 nan 8.240 nan 0.000 0.473 214 T N -0.168 114.617 114.554 0.386 0.000 2.771 214 T HA 0.567 4.918 4.350 0.001 0.000 0.290 214 T C 1.921 176.710 174.700 0.148 0.000 1.005 214 T CA -0.274 61.994 62.100 0.279 0.000 0.944 214 T CB 0.021 68.987 68.868 0.163 0.000 1.147 214 T HN 0.915 nan 8.240 nan 0.000 0.534 215 A N 0.409 123.288 122.820 0.099 0.000 1.972 215 A HA -0.009 4.311 4.320 0.001 0.000 0.219 215 A C 2.501 180.117 177.584 0.052 0.000 1.169 215 A CA 2.024 54.100 52.037 0.064 0.000 0.635 215 A CB -1.676 17.352 19.000 0.047 0.000 0.810 215 A HN 1.063 nan 8.150 nan 0.000 0.446 216 T N -4.867 109.721 114.554 0.057 0.000 3.067 216 T HA 0.379 4.729 4.350 0.001 0.000 0.261 216 T C 1.390 176.121 174.700 0.050 0.000 1.110 216 T CA 1.238 63.367 62.100 0.048 0.000 1.113 216 T CB 0.143 69.039 68.868 0.047 0.000 0.917 216 T HN 1.651 nan 8.240 nan 0.000 0.499 217 G N 1.397 110.236 108.800 0.064 0.000 2.184 217 G HA2 -0.216 3.744 3.960 0.001 0.000 0.206 217 G HA3 -0.216 3.744 3.960 0.001 0.000 0.206 217 G C 0.092 175.035 174.900 0.071 0.000 0.995 217 G CA -0.141 44.987 45.100 0.047 0.000 0.651 217 G HN 0.793 nan 8.290 nan 0.000 0.511 218 R N 0.815 121.385 120.500 0.117 0.000 2.449 218 R HA 0.433 4.773 4.340 0.001 0.000 0.296 218 R C 0.471 176.914 176.300 0.237 0.000 1.047 218 R CA -0.280 55.910 56.100 0.150 0.000 1.018 218 R CB 0.009 30.397 30.300 0.147 0.000 0.962 218 R HN 0.304 nan 8.270 nan 0.000 0.428 219 I N 6.789 127.463 120.570 0.172 0.000 2.441 219 I HA 0.187 4.357 4.170 0.001 0.000 0.287 219 I C -0.219 176.082 176.117 0.307 0.000 1.049 219 I CA -0.100 61.312 61.300 0.188 0.000 1.381 219 I CB 0.389 38.435 38.000 0.077 0.000 1.409 219 I HN 0.530 nan 8.210 nan 0.000 0.523 220 F N 4.598 124.586 119.950 0.062 0.000 2.619 220 F HA 0.593 5.121 4.527 0.001 0.000 0.308 220 F C -1.660 174.145 175.800 0.008 0.000 1.097 220 F CA -1.361 56.711 58.000 0.120 0.000 0.953 220 F CB 0.834 39.898 39.000 0.107 0.000 1.287 220 F HN 0.030 nan 8.300 nan 0.000 0.446 221 F N 1.932 121.857 119.950 -0.041 0.000 2.390 221 F HA 0.486 5.013 4.527 0.001 0.000 0.361 221 F C 0.613 176.490 175.800 0.129 0.000 1.124 221 F CA -0.598 57.267 58.000 -0.224 0.000 1.149 221 F CB 1.374 39.808 39.000 -0.944 0.000 1.160 221 F HN 0.644 nan 8.300 nan 0.000 0.501 222 S N 2.691 118.506 115.700 0.191 0.000 2.438 222 S HA 0.417 4.887 4.470 0.001 0.000 0.293 222 S C -0.075 174.632 174.600 0.179 0.000 1.141 222 S CA -0.552 57.800 58.200 0.254 0.000 1.080 222 S CB 0.291 63.584 63.200 0.155 0.000 0.978 222 S HN 0.580 nan 8.310 nan 0.000 0.479 223 T N 6.582 121.270 114.554 0.222 0.000 2.851 223 T HA 0.280 4.630 4.350 0.001 0.000 0.298 223 T C 1.363 176.089 174.700 0.043 0.000 0.977 223 T CA -0.327 61.858 62.100 0.141 0.000 1.126 223 T CB 0.801 69.797 68.868 0.213 0.000 0.916 223 T HN 0.597 nan 8.240 nan 0.000 0.529 224 L N 1.799 122.992 121.223 -0.050 0.000 2.269 224 L HA 0.308 4.648 4.340 0.001 0.000 0.200 224 L C 1.069 177.914 176.870 -0.042 0.000 1.069 224 L CA 0.512 55.321 54.840 -0.051 0.000 0.804 224 L CB 0.115 42.112 42.059 -0.103 0.000 0.987 224 L HN 0.381 nan 8.230 nan 0.000 0.468 225 R N -0.135 120.316 120.500 -0.081 0.000 2.668 225 R HA 0.555 4.896 4.340 0.001 0.000 0.272 225 R C -1.127 175.125 176.300 -0.079 0.000 1.019 225 R CA -0.314 55.743 56.100 -0.072 0.000 0.894 225 R CB 2.135 32.368 30.300 -0.111 0.000 1.228 225 R HN 0.110 nan 8.270 nan 0.000 0.460 226 S N 0.857 116.518 115.700 -0.064 0.000 2.550 226 S HA 0.737 5.208 4.470 0.001 0.000 0.270 226 S C -0.808 173.724 174.600 -0.113 0.000 1.145 226 S CA -0.841 57.284 58.200 -0.125 0.000 0.852 226 S CB 2.084 65.286 63.200 0.002 0.000 1.119 226 S HN 0.612 nan 8.310 nan 0.000 0.465 227 I N 0.786 121.229 120.570 -0.213 0.000 2.827 227 I HA 0.653 4.823 4.170 0.001 0.000 0.298 227 I C -1.335 174.691 176.117 -0.151 0.000 1.235 227 I CA -0.327 60.882 61.300 -0.153 0.000 1.021 227 I CB 2.270 40.152 38.000 -0.196 0.000 1.259 227 I HN 0.822 nan 8.210 nan 0.000 0.427 228 S N 7.363 123.029 115.700 -0.057 0.000 2.594 228 S HA 0.514 4.985 4.470 0.001 0.000 0.322 228 S C -0.595 173.930 174.600 -0.125 0.000 1.085 228 S CA -0.690 57.508 58.200 -0.002 0.000 1.116 228 S CB 0.306 63.566 63.200 0.101 0.000 0.979 228 S HN 0.500 nan 8.310 nan 0.000 0.465 229 L N 4.929 126.038 121.223 -0.190 0.000 2.536 229 L HA 0.254 4.595 4.340 0.001 0.000 0.282 229 L C -0.046 176.671 176.870 -0.255 0.000 1.174 229 L CA -0.200 54.494 54.840 -0.244 0.000 0.989 229 L CB -0.020 41.861 42.059 -0.296 0.000 1.311 229 L HN 0.585 nan 8.230 nan 0.000 0.455 230 D N 1.010 121.209 120.400 -0.335 0.000 2.615 230 D HA 0.054 4.694 4.640 0.001 0.000 0.236 230 D C 0.516 176.592 176.300 -0.374 0.000 1.233 230 D CA -0.178 53.441 54.000 -0.635 0.000 0.829 230 D CB 0.133 40.570 40.800 -0.606 0.000 1.024 230 D HN 0.556 nan 8.370 nan 0.000 0.490 231 D N -0.911 119.359 120.400 -0.217 0.000 2.315 231 D HA -0.009 4.632 4.640 0.001 0.000 0.275 231 D C 1.461 177.706 176.300 -0.093 0.000 1.218 231 D CA -0.123 53.804 54.000 -0.123 0.000 1.040 231 D CB -0.109 40.648 40.800 -0.072 0.000 1.123 231 D HN -0.058 nan 8.370 nan 0.000 0.541 232 T N -4.590 109.932 114.554 -0.053 0.000 3.086 232 T HA 0.056 4.407 4.350 0.001 0.000 0.250 232 T C 0.457 175.158 174.700 0.001 0.000 1.074 232 T CA -0.430 61.648 62.100 -0.038 0.000 0.988 232 T CB -0.152 68.697 68.868 -0.032 0.000 0.988 232 T HN 0.232 nan 8.240 nan 0.000 0.530 233 Q N 2.343 122.146 119.800 0.006 0.000 2.327 233 Q HA 0.305 4.645 4.340 0.001 0.000 0.254 233 Q C -0.847 175.185 176.000 0.054 0.000 0.952 233 Q CA 0.036 55.855 55.803 0.027 0.000 0.884 233 Q CB 0.563 29.312 28.738 0.019 0.000 1.224 233 Q HN 0.388 nan 8.270 nan 0.000 0.422 234 N N 1.818 120.562 118.700 0.073 0.000 2.955 234 N HA 0.170 4.911 4.740 0.001 0.000 0.242 234 N C -0.837 174.719 175.510 0.077 0.000 1.123 234 N CA -0.275 52.835 53.050 0.099 0.000 0.949 234 N CB 0.661 39.224 38.487 0.127 0.000 1.214 234 N HN 0.107 nan 8.380 nan 0.000 0.504 235 R N 1.683 122.219 120.500 0.061 0.000 2.438 235 R HA 0.277 4.618 4.340 0.001 0.000 0.287 235 R C 0.238 176.574 176.300 0.059 0.000 1.077 235 R CA -0.107 56.021 56.100 0.046 0.000 1.034 235 R CB 0.558 30.872 30.300 0.023 0.000 0.993 235 R HN 0.473 nan 8.270 nan 0.000 0.459 236 K N -0.518 119.926 120.400 0.073 0.000 2.536 236 K HA 0.283 4.603 4.320 0.001 0.000 0.269 236 K C -0.359 176.302 176.600 0.102 0.000 0.965 236 K CA -0.847 55.490 56.287 0.084 0.000 0.860 236 K CB 1.924 34.490 32.500 0.110 0.000 1.423 236 K HN 0.385 nan 8.250 nan 0.000 0.438 237 S N -0.046 115.693 115.700 0.065 0.000 3.587 237 S HA -0.166 4.305 4.470 0.001 0.000 0.337 237 S C -0.126 174.509 174.600 0.058 0.000 1.119 237 S CA 0.605 58.854 58.200 0.082 0.000 0.976 237 S CB -2.003 61.294 63.200 0.162 0.000 0.922 237 S HN 0.636 nan 8.310 nan 0.000 0.503 238 c N 2.239 120.840 118.600 0.002 0.000 2.662 238 c HA 0.586 5.157 4.570 0.001 0.000 0.420 238 c C 1.139 175.204 174.090 -0.041 0.000 1.314 238 c CA -0.407 55.899 56.329 -0.038 0.000 1.963 238 c CB 0.647 43.129 42.510 -0.047 0.000 2.686 238 c HN 0.680 nan 8.230 nan 0.000 0.609 239 S N 0.777 116.435 115.700 -0.069 0.000 2.532 239 S HA 0.724 5.195 4.470 0.001 0.000 0.301 239 S C -0.555 174.099 174.600 0.089 0.000 1.083 239 S CA -0.498 57.726 58.200 0.039 0.000 1.025 239 S CB 1.798 65.080 63.200 0.137 0.000 1.056 239 S HN 0.682 nan 8.310 nan 0.000 0.494 240 V N 1.552 121.617 119.914 0.251 0.000 3.001 240 V HA 0.915 5.036 4.120 0.001 0.000 0.314 240 V C -0.803 175.517 176.094 0.377 0.000 1.099 240 V CA -0.270 62.202 62.300 0.287 0.000 0.989 240 V CB 2.368 34.258 31.823 0.111 0.000 1.040 240 V HN 0.841 nan 8.190 nan 0.000 0.434 241 S N 3.170 119.057 115.700 0.311 0.000 2.546 241 S HA 0.783 5.254 4.470 0.001 0.000 0.272 241 S C -0.686 173.967 174.600 0.088 0.000 1.140 241 S CA 0.042 58.341 58.200 0.166 0.000 0.920 241 S CB 1.572 64.799 63.200 0.046 0.000 1.083 241 S HN 1.596 nan 8.310 nan 0.000 0.476 242 A N 3.444 126.261 122.820 -0.004 0.000 2.302 242 A HA 0.639 4.960 4.320 0.001 0.000 0.295 242 A C 0.572 178.116 177.584 -0.066 0.000 1.235 242 A CA -0.064 51.906 52.037 -0.112 0.000 0.876 242 A CB -0.392 18.372 19.000 -0.393 0.000 1.133 242 A HN 1.029 nan 8.150 nan 0.000 0.533 243 T N 0.136 114.685 114.554 -0.008 0.000 2.940 243 T HA 0.629 4.980 4.350 0.001 0.000 0.288 243 T C -2.327 172.285 174.700 -0.147 0.000 1.045 243 T CA -1.872 60.085 62.100 -0.238 0.000 1.018 243 T CB 1.504 70.282 68.868 -0.150 0.000 1.151 243 T HN 0.140 nan 8.240 nan 0.000 0.529 244 P HA 0.042 nan 4.420 nan 0.000 0.221 244 P C 0.992 178.303 177.300 0.017 0.000 1.145 244 P CA 0.586 63.593 63.100 -0.155 0.000 0.795 244 P CB -0.072 31.463 31.700 -0.274 0.000 0.775 245 L N -2.915 118.305 121.223 -0.005 0.000 2.558 245 L HA 0.316 4.656 4.340 0.001 0.000 0.225 245 L C 1.540 178.452 176.870 0.070 0.000 1.128 245 L CA 0.967 55.842 54.840 0.059 0.000 0.868 245 L CB -0.907 41.163 42.059 0.018 0.000 1.006 245 L HN 0.074 nan 8.230 nan 0.000 0.454 246 G N -2.235 106.565 108.800 0.001 0.000 2.181 246 G HA2 -0.120 3.841 3.960 0.001 0.000 0.098 246 G HA3 -0.120 3.841 3.960 0.001 0.000 0.098 246 G C -1.229 173.623 174.900 -0.079 0.000 1.237 246 G CA -0.261 44.666 45.100 -0.288 0.000 1.238 246 G HN -0.094 nan 8.290 nan 0.000 0.468 247 c N 1.904 120.445 118.600 -0.097 0.000 2.291 247 c HA 0.669 5.240 4.570 0.001 0.000 0.322 247 c C -0.626 173.505 174.090 0.069 0.000 1.205 247 c CA -0.756 55.571 56.329 -0.004 0.000 1.495 247 c CB -0.123 42.357 42.510 -0.049 0.000 2.127 247 c HN 0.543 nan 8.230 nan 0.000 0.452 248 D N 2.839 123.335 120.400 0.161 0.000 2.256 248 D HA 0.516 5.156 4.640 0.001 0.000 0.250 248 D C -0.147 176.365 176.300 0.353 0.000 1.093 248 D CA 0.321 54.493 54.000 0.286 0.000 0.882 248 D CB 0.895 41.962 40.800 0.444 0.000 1.185 248 D HN 0.539 nan 8.370 nan 0.000 0.437 249 M N 2.887 122.657 119.600 0.283 0.000 2.395 249 M HA 0.478 4.958 4.480 0.001 0.000 0.307 249 M C -2.048 174.235 176.300 -0.028 0.000 1.091 249 M CA -1.073 54.304 55.300 0.128 0.000 0.919 249 M CB 1.611 34.279 32.600 0.112 0.000 1.662 249 M HN 0.266 nan 8.290 nan 0.000 0.440 250 L N 5.485 126.459 121.223 -0.414 0.000 2.325 250 L HA 0.721 5.062 4.340 0.001 0.000 0.281 250 L C -1.744 174.961 176.870 -0.274 0.000 1.004 250 L CA 0.092 54.635 54.840 -0.496 0.000 0.823 250 L CB 1.337 42.711 42.059 -1.142 0.000 1.236 250 L HN 0.934 nan 8.230 nan 0.000 0.415 251 c N 1.451 119.967 118.600 -0.141 0.000 3.044 251 c HA 0.795 5.366 4.570 0.001 0.000 0.315 251 c C 0.013 174.050 174.090 -0.088 0.000 1.320 251 c CA -0.680 55.603 56.329 -0.077 0.000 1.582 251 c CB 2.292 44.787 42.510 -0.025 0.000 2.039 251 c HN 0.832 nan 8.230 nan 0.000 0.466 252 S N 0.394 116.064 115.700 -0.050 0.000 2.537 252 S HA 0.533 5.004 4.470 0.001 0.000 0.301 252 S C -0.919 173.660 174.600 -0.035 0.000 1.092 252 S CA -0.539 57.592 58.200 -0.115 0.000 1.048 252 S CB 0.861 63.967 63.200 -0.156 0.000 1.053 252 S HN 0.570 nan 8.310 nan 0.000 0.501 253 K N 2.275 122.637 120.400 -0.064 0.000 2.394 253 K HA 0.610 4.931 4.320 0.001 0.000 0.260 253 K C -0.733 175.862 176.600 -0.010 0.000 0.967 253 K CA -0.564 55.716 56.287 -0.012 0.000 0.855 253 K CB 1.478 33.969 32.500 -0.015 0.000 1.101 253 K HN 0.465 nan 8.250 nan 0.000 0.433 254 V N -0.875 119.065 119.914 0.043 0.000 3.167 254 V HA 0.600 4.720 4.120 0.001 0.000 0.310 254 V C 0.238 176.376 176.094 0.074 0.000 1.207 254 V CA -0.524 61.809 62.300 0.056 0.000 1.059 254 V CB 1.836 33.727 31.823 0.114 0.000 1.079 254 V HN 0.825 nan 8.190 nan 0.000 0.446 255 T N -2.433 112.164 114.554 0.071 0.000 3.046 255 T HA 0.332 4.683 4.350 0.001 0.000 0.270 255 T C 0.270 175.012 174.700 0.070 0.000 0.920 255 T CA 0.540 62.683 62.100 0.073 0.000 0.874 255 T CB -0.227 68.679 68.868 0.063 0.000 1.214 255 T HN 1.079 nan 8.240 nan 0.000 0.536 256 E N 1.468 121.716 120.200 0.079 0.000 2.243 256 E HA 0.576 4.927 4.350 0.001 0.000 0.260 256 E C -0.982 175.685 176.600 0.113 0.000 0.985 256 E CA -0.862 55.588 56.400 0.085 0.000 0.858 256 E CB 0.947 30.695 29.700 0.080 0.000 1.210 256 E HN -0.064 nan 8.360 nan 0.000 0.411 257 T N 0.656 115.275 114.554 0.108 0.000 2.868 257 T HA -0.047 4.303 4.350 0.001 0.000 0.292 257 T C 1.046 175.858 174.700 0.187 0.000 1.028 257 T CA -0.062 62.111 62.100 0.122 0.000 1.059 257 T CB 1.175 70.089 68.868 0.078 0.000 0.991 257 T HN 0.740 nan 8.240 nan 0.000 0.531 258 E N 0.918 121.238 120.200 0.200 0.000 2.038 258 E HA -0.231 4.120 4.350 0.001 0.000 0.195 258 E C 1.573 178.435 176.600 0.437 0.000 1.000 258 E CA 1.555 58.145 56.400 0.318 0.000 0.803 258 E CB -0.006 29.831 29.700 0.230 0.000 0.750 258 E HN 0.582 nan 8.360 nan 0.000 0.448 259 E N 0.405 120.768 120.200 0.272 0.000 2.160 259 E HA -0.216 4.135 4.350 0.001 0.000 0.195 259 E C 1.801 178.550 176.600 0.249 0.000 0.991 259 E CA 1.455 57.986 56.400 0.218 0.000 0.810 259 E CB -0.136 29.579 29.700 0.025 0.000 0.742 259 E HN 0.302 nan 8.360 nan 0.000 0.466 260 E N 0.630 120.948 120.200 0.197 0.000 2.152 260 E HA -0.163 4.187 4.350 0.001 0.000 0.192 260 E C 1.608 178.323 176.600 0.192 0.000 0.983 260 E CA 1.143 57.638 56.400 0.159 0.000 0.818 260 E CB -0.189 29.577 29.700 0.109 0.000 0.758 260 E HN 0.170 nan 8.360 nan 0.000 0.467 261 D N -0.753 119.801 120.400 0.257 0.000 2.084 261 D HA -0.186 4.454 4.640 0.001 0.000 0.194 261 D C 1.371 177.779 176.300 0.180 0.000 0.990 261 D CA 1.039 55.159 54.000 0.201 0.000 0.826 261 D CB -0.199 40.751 40.800 0.250 0.000 0.971 261 D HN 0.285 nan 8.370 nan 0.000 0.453 262 Y N 1.043 121.434 120.300 0.153 0.000 2.483 262 Y HA -0.037 4.513 4.550 0.001 0.000 0.291 262 Y C 2.190 178.162 175.900 0.121 0.000 1.143 262 Y CA 0.881 59.066 58.100 0.141 0.000 1.289 262 Y CB -0.656 37.947 38.460 0.239 0.000 0.983 262 Y HN 0.146 nan 8.280 nan 0.000 0.556 263 N N 0.004 118.861 118.700 0.261 0.000 2.446 263 N HA -0.061 4.679 4.740 0.001 0.000 0.179 263 N C -0.118 175.456 175.510 0.106 0.000 1.054 263 N CA 0.351 53.499 53.050 0.163 0.000 0.905 263 N CB 0.126 38.693 38.487 0.134 0.000 0.973 263 N HN 0.203 nan 8.380 nan 0.000 0.448 264 S N -0.282 115.473 115.700 0.092 0.000 2.438 264 S HA 0.520 4.991 4.470 0.001 0.000 0.293 264 S C 0.983 175.604 174.600 0.034 0.000 1.141 264 S CA -0.667 57.565 58.200 0.053 0.000 1.080 264 S CB 1.744 64.969 63.200 0.041 0.000 0.978 264 S HN 0.238 nan 8.310 nan 0.000 0.479 265 A N 3.880 126.719 122.820 0.032 0.000 1.948 265 A HA 0.055 4.376 4.320 0.001 0.000 0.220 265 A C 1.353 178.948 177.584 0.018 0.000 1.177 265 A CA 1.454 53.506 52.037 0.025 0.000 0.636 265 A CB -1.388 17.627 19.000 0.025 0.000 0.815 265 A HN 1.560 nan 8.150 nan 0.000 0.449 266 V N -2.644 117.276 119.914 0.011 0.000 2.924 266 V HA 0.372 4.493 4.120 0.001 0.000 0.305 266 V C -2.122 173.961 176.094 -0.018 0.000 1.073 266 V CA -2.114 60.190 62.300 0.005 0.000 1.098 266 V CB 0.314 32.137 31.823 -0.001 0.000 1.000 266 V HN 0.303 nan 8.190 nan 0.000 0.484 267 P HA 0.221 nan 4.420 nan 0.000 0.274 267 P C -0.223 176.965 177.300 -0.187 0.000 1.256 267 P CA -0.142 62.911 63.100 -0.079 0.000 0.795 267 P CB 0.408 32.107 31.700 -0.001 0.000 1.038 268 T N 1.239 115.577 114.554 -0.360 0.000 2.856 268 T HA 0.235 4.585 4.350 0.001 0.000 0.292 268 T C 0.308 174.775 174.700 -0.388 0.000 0.980 268 T CA -0.279 61.569 62.100 -0.421 0.000 1.091 268 T CB 0.144 68.572 68.868 -0.734 0.000 0.936 268 T HN 0.241 nan 8.240 nan 0.000 0.503 269 L N 4.036 125.105 121.223 -0.255 0.000 2.416 269 L HA 0.445 4.785 4.340 0.001 0.000 0.272 269 L C -0.419 176.314 176.870 -0.228 0.000 1.161 269 L CA 0.626 55.353 54.840 -0.188 0.000 0.845 269 L CB -0.146 41.851 42.059 -0.104 0.000 1.119 269 L HN 0.645 nan 8.230 nan 0.000 0.464 270 M N 4.414 123.898 119.600 -0.193 0.000 2.619 270 M HA 0.773 5.253 4.480 0.001 0.000 0.297 270 M C -0.838 175.417 176.300 -0.075 0.000 1.229 270 M CA -0.722 54.473 55.300 -0.175 0.000 0.860 270 M CB 2.260 34.715 32.600 -0.242 0.000 1.741 270 M HN 0.708 nan 8.290 nan 0.000 0.462 271 A N 0.534 123.325 122.820 -0.048 0.000 2.515 271 A HA 0.596 4.917 4.320 0.001 0.000 0.298 271 A C -1.930 175.689 177.584 0.057 0.000 1.059 271 A CA -0.577 51.467 52.037 0.011 0.000 0.698 271 A CB 1.331 20.342 19.000 0.019 0.000 1.289 271 A HN 0.985 nan 8.150 nan 0.000 0.404 272 H N 1.089 120.136 119.070 -0.039 0.000 2.504 272 H HA 0.599 5.155 4.556 0.001 0.000 0.322 272 H C 0.104 175.410 175.328 -0.038 0.000 1.055 272 H CA -0.139 55.890 56.048 -0.032 0.000 1.231 272 H CB 1.196 30.956 29.762 -0.004 0.000 1.417 272 H HN 0.889 nan 8.280 nan 0.000 0.472 273 G N 3.631 112.413 108.800 -0.031 0.000 2.714 273 G HA2 0.492 4.453 3.960 0.001 0.000 0.292 273 G HA3 0.492 4.453 3.960 0.001 0.000 0.292 273 G C -1.462 173.283 174.900 -0.259 0.000 1.308 273 G CA -0.993 43.955 45.100 -0.254 0.000 0.964 273 G HN 0.677 nan 8.290 nan 0.000 0.484 274 R N -0.164 120.063 120.500 -0.454 0.000 2.522 274 R HA 0.374 4.715 4.340 0.001 0.000 0.273 274 R C -2.157 174.052 176.300 -0.153 0.000 1.133 274 R CA -0.752 55.231 56.100 -0.196 0.000 0.969 274 R CB 1.746 31.938 30.300 -0.181 0.000 1.235 274 R HN 0.501 nan 8.270 nan 0.000 0.433 275 L N 4.121 125.357 121.223 0.023 0.000 2.265 275 L HA 0.644 4.985 4.340 0.001 0.000 0.289 275 L C -0.096 176.708 176.870 -0.110 0.000 1.033 275 L CA 0.184 55.036 54.840 0.019 0.000 0.814 275 L CB 1.436 43.503 42.059 0.013 0.000 1.203 275 L HN 0.752 nan 8.230 nan 0.000 0.423 276 G N 3.061 111.801 108.800 -0.101 0.000 2.547 276 G HA2 0.234 4.194 3.960 0.001 0.000 0.291 276 G HA3 0.234 4.194 3.960 0.001 0.000 0.291 276 G C 0.293 175.098 174.900 -0.157 0.000 1.211 276 G CA -0.446 44.592 45.100 -0.105 0.000 0.950 276 G HN 0.637 nan 8.290 nan 0.000 0.504 277 F N 0.000 119.867 119.950 -0.138 0.000 2.333 277 F HA -0.033 4.495 4.527 0.001 0.000 0.300 277 F C 2.388 178.124 175.800 -0.106 0.000 1.083 277 F CA 1.453 59.359 58.000 -0.156 0.000 1.395 277 F CB 0.230 39.117 39.000 -0.189 0.000 1.056 277 F HN 0.464 nan 8.300 nan 0.000 0.529 278 D N -1.208 119.241 120.400 0.083 0.000 2.349 278 D HA 0.101 4.742 4.640 0.001 0.000 0.224 278 D C 1.944 178.243 176.300 -0.002 0.000 1.029 278 D CA 0.899 54.921 54.000 0.037 0.000 0.879 278 D CB -0.390 40.431 40.800 0.034 0.000 0.906 278 D HN 0.292 nan 8.370 nan 0.000 0.528 279 G N -0.233 108.549 108.800 -0.031 0.000 2.199 279 G HA2 -0.314 3.647 3.960 0.001 0.000 0.254 279 G HA3 -0.314 3.647 3.960 0.001 0.000 0.254 279 G C 0.124 174.989 174.900 -0.059 0.000 0.982 279 G CA 0.160 45.231 45.100 -0.049 0.000 0.632 279 G HN 0.486 nan 8.290 nan 0.000 0.529 280 Q N -0.636 119.119 119.800 -0.075 0.000 2.259 280 Q HA 0.585 4.926 4.340 0.001 0.000 0.246 280 Q C -0.766 175.098 176.000 -0.226 0.000 0.920 280 Q CA -0.669 55.037 55.803 -0.161 0.000 0.895 280 Q CB 1.436 30.060 28.738 -0.189 0.000 1.220 280 Q HN 0.377 nan 8.270 nan 0.000 0.439 281 Y N 2.352 122.398 120.300 -0.423 0.000 2.352 281 Y HA 0.312 4.863 4.550 0.001 0.000 0.339 281 Y C -0.927 174.651 175.900 -0.536 0.000 0.992 281 Y CA -0.526 57.354 58.100 -0.366 0.000 1.100 281 Y CB 0.946 39.274 38.460 -0.220 0.000 1.192 281 Y HN 0.595 nan 8.280 nan 0.000 0.458 282 H N 4.154 122.763 119.070 -0.769 0.000 2.821 282 H HA 0.486 5.043 4.556 0.001 0.000 0.373 282 H C -1.264 173.584 175.328 -0.800 0.000 1.165 282 H CA -0.933 54.783 56.048 -0.553 0.000 1.154 282 H CB 2.457 32.024 29.762 -0.326 0.000 1.765 282 H HN 0.798 nan 8.280 nan 0.000 0.549 283 E N 1.283 121.306 120.200 -0.295 0.000 2.390 283 E HA 0.376 4.726 4.350 0.001 0.000 0.280 283 E C -1.681 174.861 176.600 -0.097 0.000 0.992 283 E CA -0.728 55.529 56.400 -0.237 0.000 0.790 283 E CB 2.964 32.601 29.700 -0.106 0.000 1.248 283 E HN 0.521 nan 8.360 nan 0.000 0.447 284 K N 2.706 123.065 120.400 -0.068 0.000 2.535 284 K HA 0.260 4.580 4.320 0.001 0.000 0.251 284 K C -1.529 175.074 176.600 0.006 0.000 0.942 284 K CA -0.717 55.554 56.287 -0.027 0.000 0.798 284 K CB 1.269 33.748 32.500 -0.034 0.000 1.267 284 K HN 0.429 nan 8.250 nan 0.000 0.434 285 D N 3.910 124.313 120.400 0.004 0.000 2.389 285 D HA 0.125 4.765 4.640 0.001 0.000 0.247 285 D C 0.326 176.631 176.300 0.010 0.000 1.128 285 D CA 0.113 54.115 54.000 0.004 0.000 0.884 285 D CB 0.824 41.622 40.800 -0.004 0.000 1.194 285 D HN 0.387 nan 8.370 nan 0.000 0.441 286 L N 1.217 122.447 121.223 0.013 0.000 2.439 286 L HA 0.113 4.453 4.340 0.001 0.000 0.261 286 L C 0.879 177.760 176.870 0.018 0.000 1.153 286 L CA -0.532 54.322 54.840 0.023 0.000 0.808 286 L CB 0.434 42.520 42.059 0.045 0.000 1.126 286 L HN 0.265 nan 8.230 nan 0.000 0.460 287 D N 0.779 121.191 120.400 0.019 0.000 2.619 287 D HA 0.099 4.740 4.640 0.001 0.000 0.224 287 D C 1.078 177.404 176.300 0.044 0.000 1.133 287 D CA -0.353 53.657 54.000 0.017 0.000 1.017 287 D CB 0.568 41.371 40.800 0.004 0.000 1.077 287 D HN 0.344 nan 8.370 nan 0.000 0.503 288 V N 0.926 120.879 119.914 0.066 0.000 2.594 288 V HA -0.197 3.923 4.120 0.001 0.000 0.253 288 V C 1.957 178.122 176.094 0.118 0.000 1.069 288 V CA 1.769 64.159 62.300 0.150 0.000 1.082 288 V CB -1.188 30.651 31.823 0.027 0.000 0.680 288 V HN 0.340 nan 8.190 nan 0.000 0.469 289 T N 1.776 116.363 114.554 0.056 0.000 2.699 289 T HA -0.195 4.156 4.350 0.001 0.000 0.268 289 T C 1.926 176.658 174.700 0.053 0.000 1.036 289 T CA 2.760 64.888 62.100 0.047 0.000 1.147 289 T CB -0.553 68.330 68.868 0.024 0.000 0.862 289 T HN 0.921 nan 8.240 nan 0.000 0.446 290 T N -0.091 114.483 114.554 0.034 0.000 3.004 290 T HA 0.174 4.524 4.350 0.001 0.000 0.243 290 T C 1.925 176.615 174.700 -0.016 0.000 1.020 290 T CA 0.152 62.259 62.100 0.011 0.000 1.145 290 T CB -0.636 68.228 68.868 -0.007 0.000 0.876 290 T HN 0.123 nan 8.240 nan 0.000 0.449 291 L N 0.528 121.725 121.223 -0.043 0.000 2.042 291 L HA 0.229 4.570 4.340 0.001 0.000 0.210 291 L C 0.774 177.404 176.870 -0.400 0.000 1.076 291 L CA 1.646 56.359 54.840 -0.213 0.000 0.749 291 L CB -0.710 41.232 42.059 -0.194 0.000 0.893 291 L HN 0.351 nan 8.230 nan 0.000 0.432 292 F N -0.308 119.593 119.950 -0.082 0.000 2.928 292 F HA 0.191 4.718 4.527 0.001 0.000 0.337 292 F C 1.679 177.580 175.800 0.168 0.000 1.259 292 F CA -0.173 57.793 58.000 -0.057 0.000 1.267 292 F CB -0.389 38.427 39.000 -0.308 0.000 0.986 292 F HN 0.195 nan 8.300 nan 0.000 0.507 293 E N -0.841 119.493 120.200 0.225 0.000 2.171 293 E HA -0.228 4.122 4.350 0.001 0.000 0.197 293 E C 0.284 176.997 176.600 0.190 0.000 0.997 293 E CA 1.771 58.271 56.400 0.167 0.000 0.810 293 E CB -0.190 29.561 29.700 0.086 0.000 0.738 293 E HN 0.249 nan 8.360 nan 0.000 0.467 294 D N -0.254 120.298 120.400 0.254 0.000 2.336 294 D HA 0.096 4.736 4.640 0.001 0.000 0.228 294 D C -0.976 175.298 176.300 -0.043 0.000 1.120 294 D CA 0.207 54.252 54.000 0.075 0.000 0.839 294 D CB -0.259 40.517 40.800 -0.039 0.000 0.932 294 D HN 0.227 nan 8.370 nan 0.000 0.509 295 W N -0.057 121.265 121.300 0.037 0.000 2.689 295 W HA 0.283 4.944 4.660 0.001 0.000 0.340 295 W C 1.275 177.750 176.519 -0.074 0.000 1.060 295 W CA -1.044 56.300 57.345 -0.001 0.000 1.218 295 W CB 1.166 30.660 29.460 0.057 0.000 1.410 295 W HN -0.293 nan 8.180 nan 0.000 0.528 296 V N -0.402 119.547 119.914 0.057 0.000 3.431 296 V HA 0.701 4.822 4.120 0.001 0.000 0.253 296 V C 0.402 176.385 176.094 -0.186 0.000 1.184 296 V CA 0.566 62.839 62.300 -0.045 0.000 1.104 296 V CB -0.395 31.401 31.823 -0.044 0.000 0.799 296 V HN 0.586 nan 8.190 nan 0.000 0.462 297 A N 1.740 124.390 122.820 -0.284 0.000 2.566 297 A HA 0.758 5.079 4.320 0.001 0.000 0.297 297 A C -1.386 175.956 177.584 -0.403 0.000 1.059 297 A CA -0.358 51.362 52.037 -0.529 0.000 0.691 297 A CB 1.197 19.488 19.000 -1.183 0.000 1.282 297 A HN 0.600 nan 8.150 nan 0.000 0.401 298 N N 0.887 119.173 118.700 -0.689 0.000 2.452 298 N HA 0.588 5.328 4.740 0.001 0.000 0.277 298 N C -1.928 172.987 175.510 -0.992 0.000 1.078 298 N CA -0.302 52.295 53.050 -0.756 0.000 0.947 298 N CB 1.407 39.169 38.487 -1.208 0.000 1.655 298 N HN 0.491 nan 8.380 nan 0.000 0.490 299 Y N -0.649 119.366 120.300 -0.475 0.000 2.588 299 Y HA 0.532 5.082 4.550 0.001 0.000 0.343 299 Y C -2.446 173.403 175.900 -0.085 0.000 1.065 299 Y CA -1.743 56.181 58.100 -0.294 0.000 1.038 299 Y CB 2.303 40.610 38.460 -0.256 0.000 1.297 299 Y HN 0.337 nan 8.280 nan 0.000 0.467 300 P HA 0.119 nan 4.420 nan 0.000 0.272 300 P C 0.489 177.995 177.300 0.343 0.000 1.230 300 P CA 0.133 63.323 63.100 0.149 0.000 0.788 300 P CB 0.771 32.471 31.700 -0.000 0.000 0.949 301 G N 0.457 109.467 108.800 0.350 0.000 3.026 301 G HA2 0.087 4.047 3.960 0.001 0.000 0.208 301 G HA3 0.087 4.047 3.960 0.001 0.000 0.208 301 G C 0.675 175.741 174.900 0.276 0.000 1.169 301 G CA 0.248 45.554 45.100 0.344 0.000 0.788 301 G HN 0.427 nan 8.290 nan 0.000 0.533 302 V N -0.874 119.161 119.914 0.202 0.000 0.441 302 V HA -0.263 3.857 4.120 0.001 0.000 0.092 302 V C 2.115 178.235 176.094 0.043 0.000 2.557 302 V CA 1.522 63.860 62.300 0.062 0.000 3.721 302 V CB -1.843 29.975 31.823 -0.008 0.000 0.992 302 V HN 0.811 nan 8.190 nan 0.000 1.042 303 G N 0.136 109.027 108.800 0.151 0.000 2.690 303 G HA2 0.453 4.414 3.960 0.001 0.000 0.239 303 G HA3 0.453 4.414 3.960 0.001 0.000 0.239 303 G C 0.590 175.696 174.900 0.342 0.000 1.233 303 G CA 0.427 45.709 45.100 0.304 0.000 0.847 303 G HN 1.315 nan 8.290 nan 0.000 0.588 304 G N -1.040 107.980 108.800 0.366 0.000 2.667 304 G HA2 0.534 4.494 3.960 0.001 0.000 0.250 304 G HA3 0.534 4.494 3.960 0.001 0.000 0.250 304 G C 0.439 175.559 174.900 0.366 0.000 1.212 304 G CA 0.267 45.578 45.100 0.353 0.000 0.874 304 G HN 0.909 nan 8.290 nan 0.000 0.561 305 G N -1.589 107.388 108.800 0.295 0.000 2.597 305 G HA2 0.541 4.501 3.960 0.001 0.000 0.317 305 G HA3 0.541 4.501 3.960 0.001 0.000 0.317 305 G C -0.796 174.107 174.900 0.005 0.000 1.230 305 G CA -0.183 44.919 45.100 0.003 0.000 0.996 305 G HN 0.853 nan 8.290 nan 0.000 0.490 306 S N -1.355 114.335 115.700 -0.016 0.000 2.548 306 S HA 0.614 5.084 4.470 0.001 0.000 0.286 306 S C -1.574 173.127 174.600 0.167 0.000 1.098 306 S CA -0.628 57.631 58.200 0.098 0.000 0.930 306 S CB 1.189 64.453 63.200 0.106 0.000 1.070 306 S HN 0.547 nan 8.310 nan 0.000 0.480 307 F N 5.337 125.324 119.950 0.062 0.000 2.411 307 F HA 0.709 5.236 4.527 0.001 0.000 0.355 307 F C -0.822 175.040 175.800 0.104 0.000 1.117 307 F CA -0.550 57.515 58.000 0.108 0.000 1.139 307 F CB 0.242 39.289 39.000 0.079 0.000 1.120 307 F HN 0.429 nan 8.300 nan 0.000 0.493 308 I N 5.691 126.031 120.570 -0.384 0.000 2.571 308 I HA 0.198 4.369 4.170 0.001 0.000 0.289 308 I C -0.999 174.924 176.117 -0.324 0.000 1.115 308 I CA -0.960 60.102 61.300 -0.397 0.000 1.045 308 I CB 1.872 39.482 38.000 -0.650 0.000 1.238 308 I HN 0.441 nan 8.210 nan 0.000 0.424 309 D N 5.247 125.446 120.400 -0.335 0.000 2.697 309 D HA -0.195 4.446 4.640 0.001 0.000 0.235 309 D C 1.183 177.365 176.300 -0.196 0.000 1.167 309 D CA 1.749 55.641 54.000 -0.181 0.000 0.656 309 D CB -0.766 40.005 40.800 -0.049 0.000 1.025 309 D HN 1.218 nan 8.370 nan 0.000 0.419 310 G N -0.409 108.130 108.800 -0.436 0.000 2.184 310 G HA2 -0.375 3.586 3.960 0.001 0.000 0.264 310 G HA3 -0.375 3.586 3.960 0.001 0.000 0.264 310 G C 0.376 175.226 174.900 -0.085 0.000 0.975 310 G CA 0.779 45.794 45.100 -0.142 0.000 0.642 310 G HN 0.589 nan 8.290 nan 0.000 0.536 311 R N -1.209 119.155 120.500 -0.227 0.000 2.837 311 R HA 0.705 5.046 4.340 0.001 0.000 0.271 311 R C -0.837 175.371 176.300 -0.153 0.000 0.993 311 R CA -0.691 55.299 56.100 -0.183 0.000 0.931 311 R CB 2.693 32.756 30.300 -0.396 0.000 1.206 311 R HN 0.314 nan 8.270 nan 0.000 0.474 312 V N 2.058 121.851 119.914 -0.202 0.000 2.472 312 V HA 0.513 4.633 4.120 0.001 0.000 0.290 312 V C -1.585 174.221 176.094 -0.481 0.000 1.037 312 V CA -0.592 61.622 62.300 -0.144 0.000 0.908 312 V CB 0.867 32.637 31.823 -0.089 0.000 0.985 312 V HN 0.645 nan 8.190 nan 0.000 0.454 313 W N 6.271 127.324 121.300 -0.412 0.000 2.471 313 W HA 0.680 5.340 4.660 0.001 0.000 0.318 313 W C -0.939 175.346 176.519 -0.391 0.000 1.034 313 W CA -0.796 56.364 57.345 -0.307 0.000 1.224 313 W CB 1.170 30.513 29.460 -0.196 0.000 1.335 313 W HN 0.360 nan 8.180 nan 0.000 0.452 314 F N 2.104 122.165 119.950 0.184 0.000 2.495 314 F HA 0.462 4.990 4.527 0.001 0.000 0.327 314 F C 0.783 176.690 175.800 0.178 0.000 1.103 314 F CA -1.330 56.770 58.000 0.167 0.000 0.949 314 F CB 1.706 40.764 39.000 0.098 0.000 1.142 314 F HN 0.224 nan 8.300 nan 0.000 0.457 315 S N 2.666 118.610 115.700 0.407 0.000 2.565 315 S HA 0.756 5.227 4.470 0.001 0.000 0.274 315 S C -0.546 174.245 174.600 0.318 0.000 1.309 315 S CA -0.522 57.868 58.200 0.316 0.000 1.043 315 S CB 1.101 64.478 63.200 0.295 0.000 0.939 315 S HN 0.793 nan 8.310 nan 0.000 0.504 316 V N 0.373 120.460 119.914 0.288 0.000 3.130 316 V HA 0.959 5.079 4.120 0.001 0.000 0.310 316 V C -1.196 175.137 176.094 0.399 0.000 1.158 316 V CA -1.220 61.255 62.300 0.290 0.000 1.029 316 V CB 1.071 32.978 31.823 0.141 0.000 1.057 316 V HN 1.282 nan 8.190 nan 0.000 0.436 317 Y N -0.096 120.294 120.300 0.150 0.000 2.656 317 Y HA 1.043 5.593 4.550 0.001 0.000 0.334 317 Y C -0.258 175.825 175.900 0.304 0.000 1.179 317 Y CA -0.558 57.699 58.100 0.263 0.000 1.050 317 Y CB 1.192 39.792 38.460 0.233 0.000 1.308 317 Y HN 1.742 nan 8.280 nan 0.000 0.456 318 G N -0.458 108.537 108.800 0.325 0.000 2.360 318 G HA2 0.506 4.467 3.960 0.001 0.000 0.276 318 G HA3 0.506 4.467 3.960 0.001 0.000 0.276 318 G C -1.260 173.790 174.900 0.250 0.000 1.256 318 G CA -0.219 44.965 45.100 0.139 0.000 0.890 318 G HN 1.407 nan 8.290 nan 0.000 0.486 319 G N -0.673 108.127 108.800 0.000 0.000 2.448 319 G HA2 0.661 4.622 3.960 0.001 0.000 0.324 319 G HA3 0.661 4.622 3.960 0.001 0.000 0.324 319 G C -0.544 174.233 174.900 -0.204 0.000 1.203 319 G CA -0.679 44.398 45.100 -0.038 0.000 0.954 319 G HN 0.591 nan 8.290 nan 0.000 0.480 320 L N 0.887 121.918 121.223 -0.319 0.000 2.357 320 L HA 0.400 4.741 4.340 0.001 0.000 0.273 320 L C 0.548 177.297 176.870 -0.202 0.000 1.080 320 L CA -0.856 53.713 54.840 -0.452 0.000 0.803 320 L CB 1.551 43.313 42.059 -0.495 0.000 1.174 320 L HN 0.350 nan 8.230 nan 0.000 0.443 321 K N 2.803 123.099 120.400 -0.173 0.000 2.416 321 K HA 0.174 4.495 4.320 0.001 0.000 0.283 321 K C -2.305 174.252 176.600 -0.070 0.000 1.037 321 K CA -1.541 54.702 56.287 -0.074 0.000 0.995 321 K CB 0.380 32.854 32.500 -0.042 0.000 0.938 321 K HN 0.216 nan 8.250 nan 0.000 0.475 322 P HA -0.054 nan 4.420 nan 0.000 0.264 322 P C -0.589 176.694 177.300 -0.028 0.000 1.193 322 P CA 0.389 63.474 63.100 -0.026 0.000 0.763 322 P CB 0.421 32.121 31.700 -0.000 0.000 0.810 323 N N -1.149 117.531 118.700 -0.034 0.000 2.909 323 N HA -0.144 4.596 4.740 0.001 0.000 0.242 323 N C 0.032 175.521 175.510 -0.035 0.000 0.975 323 N CA 1.295 54.327 53.050 -0.030 0.000 0.921 323 N CB -1.895 36.582 38.487 -0.017 0.000 1.112 323 N HN 0.597 nan 8.380 nan 0.000 0.581 324 S N 0.024 115.695 115.700 -0.049 0.000 2.600 324 S HA 0.395 4.865 4.470 0.001 0.000 0.265 324 S C -1.294 173.275 174.600 -0.052 0.000 1.325 324 S CA -0.871 57.301 58.200 -0.048 0.000 1.002 324 S CB 1.555 64.716 63.200 -0.064 0.000 0.921 324 S HN -0.188 nan 8.310 nan 0.000 0.554 325 P HA -0.085 nan 4.420 nan 0.000 0.216 325 P C 1.505 178.775 177.300 -0.051 0.000 1.153 325 P CA 1.535 64.614 63.100 -0.036 0.000 0.858 325 P CB -0.138 31.549 31.700 -0.021 0.000 0.789 326 S N -0.894 114.765 115.700 -0.069 0.000 2.368 326 S HA -0.179 4.291 4.470 0.001 0.000 0.224 326 S C 1.770 176.294 174.600 -0.127 0.000 1.029 326 S CA 1.617 59.760 58.200 -0.096 0.000 0.988 326 S CB -1.132 61.982 63.200 -0.143 0.000 0.838 326 S HN 0.255 nan 8.310 nan 0.000 0.462 327 D N 1.217 121.533 120.400 -0.141 0.000 2.084 327 D HA -0.093 4.547 4.640 0.001 0.000 0.194 327 D C 1.945 178.193 176.300 -0.085 0.000 0.990 327 D CA 1.691 55.616 54.000 -0.126 0.000 0.826 327 D CB -0.515 40.218 40.800 -0.111 0.000 0.971 327 D HN 0.271 nan 8.370 nan 0.000 0.453 328 T N -0.324 114.190 114.554 -0.067 0.000 2.699 328 T HA -0.142 4.208 4.350 0.001 0.000 0.268 328 T C 2.015 176.683 174.700 -0.053 0.000 1.036 328 T CA 1.385 63.455 62.100 -0.050 0.000 1.147 328 T CB -0.444 68.400 68.868 -0.039 0.000 0.862 328 T HN 0.025 nan 8.240 nan 0.000 0.446 329 V N 1.375 121.254 119.914 -0.057 0.000 3.078 329 V HA -0.060 4.060 4.120 0.001 0.000 0.265 329 V C 2.294 178.346 176.094 -0.070 0.000 1.122 329 V CA 1.186 63.452 62.300 -0.055 0.000 1.141 329 V CB -0.552 31.242 31.823 -0.048 0.000 0.735 329 V HN 0.457 nan 8.190 nan 0.000 0.498 330 Q N -0.307 119.442 119.800 -0.085 0.000 2.356 330 Q HA 0.142 4.483 4.340 0.001 0.000 0.205 330 Q C 0.557 176.489 176.000 -0.114 0.000 0.901 330 Q CA -0.039 55.697 55.803 -0.112 0.000 0.938 330 Q CB 0.348 29.010 28.738 -0.126 0.000 1.081 330 Q HN 0.693 nan 8.270 nan 0.000 0.517 331 E N 0.318 120.471 120.200 -0.077 0.000 2.480 331 E HA 0.122 4.472 4.350 0.001 0.000 0.258 331 E C 0.724 177.297 176.600 -0.045 0.000 0.984 331 E CA 0.683 57.050 56.400 -0.055 0.000 0.930 331 E CB 0.234 29.912 29.700 -0.037 0.000 0.936 331 E HN 0.420 nan 8.360 nan 0.000 0.466 332 G N 3.484 112.271 108.800 -0.022 0.000 2.205 332 G HA2 -0.334 3.627 3.960 0.001 0.000 0.261 332 G HA3 -0.334 3.627 3.960 0.001 0.000 0.261 332 G C 0.121 175.056 174.900 0.058 0.000 0.980 332 G CA 0.178 45.297 45.100 0.032 0.000 0.632 332 G HN 0.451 nan 8.290 nan 0.000 0.533 333 K N 0.117 120.477 120.400 -0.066 0.000 2.205 333 K HA 0.622 4.942 4.320 0.001 0.000 0.279 333 K C -0.103 176.379 176.600 -0.197 0.000 1.027 333 K CA -0.091 56.098 56.287 -0.162 0.000 0.932 333 K CB 0.924 33.300 32.500 -0.206 0.000 1.032 333 K HN 0.719 nan 8.250 nan 0.000 0.466 334 Y N -2.101 118.067 120.300 -0.220 0.000 2.814 334 Y HA 0.608 5.158 4.550 0.001 0.000 0.348 334 Y C -1.913 173.987 175.900 -0.000 0.000 1.245 334 Y CA -1.333 56.702 58.100 -0.107 0.000 1.086 334 Y CB 0.988 39.475 38.460 0.044 0.000 1.373 334 Y HN 0.259 nan 8.280 nan 0.000 0.451 335 V N 2.296 122.352 119.914 0.238 0.000 3.000 335 V HA 0.646 4.767 4.120 0.001 0.000 0.300 335 V C -1.819 174.264 176.094 -0.018 0.000 1.251 335 V CA -0.944 61.307 62.300 -0.081 0.000 0.972 335 V CB 2.089 33.744 31.823 -0.280 0.000 1.065 335 V HN 0.799 nan 8.190 nan 0.000 0.431 336 I N 6.541 127.018 120.570 -0.155 0.000 2.382 336 I HA 0.453 4.624 4.170 0.001 0.000 0.286 336 I C -1.458 174.506 176.117 -0.256 0.000 1.002 336 I CA -0.564 60.702 61.300 -0.055 0.000 1.135 336 I CB 1.628 39.668 38.000 0.067 0.000 1.288 336 I HN 0.545 nan 8.210 nan 0.000 0.448 337 Y N 6.618 126.942 120.300 0.040 0.000 2.331 337 Y HA 0.324 4.875 4.550 0.001 0.000 0.338 337 Y C 0.323 176.320 175.900 0.163 0.000 0.976 337 Y CA -1.112 56.895 58.100 -0.155 0.000 1.137 337 Y CB 1.074 39.005 38.460 -0.882 0.000 1.172 337 Y HN 0.393 nan 8.280 nan 0.000 0.478 338 K N 3.321 123.937 120.400 0.360 0.000 2.098 338 K HA 0.514 4.834 4.320 0.001 0.000 0.261 338 K C -0.140 176.717 176.600 0.429 0.000 0.987 338 K CA -0.825 55.681 56.287 0.364 0.000 0.916 338 K CB 1.222 33.851 32.500 0.216 0.000 1.039 338 K HN 0.464 nan 8.250 nan 0.000 0.455 339 R N 0.979 121.679 120.500 0.333 0.000 2.615 339 R HA 0.093 4.434 4.340 0.001 0.000 0.270 339 R C -0.272 176.164 176.300 0.226 0.000 1.081 339 R CA -0.545 55.702 56.100 0.244 0.000 1.154 339 R CB -0.179 30.206 30.300 0.140 0.000 1.063 339 R HN 0.709 nan 8.270 nan 0.000 0.519 340 Y N 1.801 122.157 120.300 0.094 0.000 2.359 340 Y HA -0.020 4.530 4.550 0.001 0.000 0.334 340 Y C 0.594 176.531 175.900 0.062 0.000 1.058 340 Y CA -0.520 57.625 58.100 0.075 0.000 1.244 340 Y CB 0.254 38.752 38.460 0.062 0.000 1.187 340 Y HN 0.820 nan 8.280 nan 0.000 0.510 341 N N 3.813 122.160 118.700 -0.590 0.000 2.705 341 N HA -0.253 4.488 4.740 0.001 0.000 0.255 341 N C -1.747 173.645 175.510 -0.196 0.000 1.008 341 N CA 1.516 54.263 53.050 -0.505 0.000 0.742 341 N CB -1.136 36.872 38.487 -0.799 0.000 0.906 341 N HN 0.727 nan 8.380 nan 0.000 0.541 342 D N -0.556 119.793 120.400 -0.084 0.000 3.443 342 D HA 0.078 4.718 4.640 0.001 0.000 0.243 342 D C -0.674 175.639 176.300 0.022 0.000 1.446 342 D CA -0.045 53.945 54.000 -0.017 0.000 0.880 342 D CB -0.053 40.754 40.800 0.011 0.000 1.470 342 D HN 0.273 nan 8.370 nan 0.000 0.658 343 T N 0.417 114.979 114.554 0.014 0.000 2.918 343 T HA 0.230 4.580 4.350 0.001 0.000 0.302 343 T C 0.517 175.240 174.700 0.038 0.000 1.045 343 T CA -0.196 61.925 62.100 0.035 0.000 1.114 343 T CB 0.401 69.283 68.868 0.024 0.000 0.965 343 T HN 0.483 nan 8.240 nan 0.000 0.540 344 c N 7.875 126.505 118.600 0.050 0.000 2.637 344 c HA 0.470 5.041 4.570 0.001 0.000 0.418 344 c C -0.446 173.662 174.090 0.030 0.000 1.319 344 c CA -1.560 54.795 56.329 0.045 0.000 1.949 344 c CB 0.310 42.850 42.510 0.050 0.000 2.639 344 c HN 0.845 nan 8.230 nan 0.000 0.594 345 P HA 0.059 nan 4.420 nan 0.000 0.224 345 P C 0.008 177.305 177.300 -0.005 0.000 1.157 345 P CA 0.615 63.717 63.100 0.003 0.000 0.799 345 P CB -0.066 31.630 31.700 -0.007 0.000 0.809 346 D N 1.967 122.374 120.400 0.011 0.000 2.443 346 D HA -0.025 4.615 4.640 0.001 0.000 0.234 346 D C 0.761 177.084 176.300 0.039 0.000 1.172 346 D CA 0.428 54.435 54.000 0.011 0.000 0.878 346 D CB 0.425 41.330 40.800 0.176 0.000 1.204 346 D HN 0.392 nan 8.370 nan 0.000 0.453 347 E N 0.704 120.917 120.200 0.021 0.000 2.392 347 E HA -0.015 4.335 4.350 0.001 0.000 0.264 347 E C 0.631 177.284 176.600 0.088 0.000 1.024 347 E CA -0.538 55.887 56.400 0.042 0.000 0.903 347 E CB 0.743 30.455 29.700 0.020 0.000 0.963 347 E HN 0.176 nan 8.360 nan 0.000 0.432 348 Q N 2.568 122.401 119.800 0.054 0.000 2.062 348 Q HA -0.273 4.067 4.340 0.001 0.000 0.209 348 Q C 1.143 177.167 176.000 0.039 0.000 0.996 348 Q CA 2.695 58.524 55.803 0.044 0.000 0.859 348 Q CB -0.260 28.499 28.738 0.034 0.000 0.920 348 Q HN 0.743 nan 8.270 nan 0.000 0.415 349 D N -1.149 119.278 120.400 0.046 0.000 2.190 349 D HA -0.196 4.445 4.640 0.001 0.000 0.200 349 D C 1.619 177.945 176.300 0.043 0.000 0.992 349 D CA 1.281 55.301 54.000 0.033 0.000 0.854 349 D CB -0.305 40.519 40.800 0.041 0.000 0.936 349 D HN 0.401 nan 8.370 nan 0.000 0.462 350 Y N 1.641 121.910 120.300 -0.052 0.000 2.206 350 Y HA -0.123 4.427 4.550 0.001 0.000 0.292 350 Y C 2.489 178.336 175.900 -0.089 0.000 1.123 350 Y CA 1.376 59.440 58.100 -0.061 0.000 1.142 350 Y CB -0.133 38.298 38.460 -0.048 0.000 1.006 350 Y HN -0.099 nan 8.280 nan 0.000 0.518 351 Q N -0.312 119.474 119.800 -0.022 0.000 2.061 351 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 351 Q C 2.096 177.948 176.000 -0.247 0.000 0.984 351 Q CA 1.780 57.496 55.803 -0.144 0.000 0.846 351 Q CB -0.180 28.528 28.738 -0.049 0.000 0.902 351 Q HN 0.437 nan 8.270 nan 0.000 0.421 352 I N 0.880 121.321 120.570 -0.216 0.000 2.163 352 I HA -0.282 3.888 4.170 0.001 0.000 0.243 352 I C 2.505 178.369 176.117 -0.422 0.000 1.085 352 I CA 1.525 62.599 61.300 -0.377 0.000 1.347 352 I CB -1.117 36.731 38.000 -0.253 0.000 1.044 352 I HN 0.285 nan 8.210 nan 0.000 0.408 353 R N 0.443 120.762 120.500 -0.301 0.000 2.091 353 R HA -0.183 4.158 4.340 0.001 0.000 0.238 353 R C 2.246 178.367 176.300 -0.299 0.000 1.136 353 R CA 1.510 57.447 56.100 -0.271 0.000 0.959 353 R CB -0.006 30.156 30.300 -0.230 0.000 0.856 353 R HN 0.148 nan 8.270 nan 0.000 0.437 354 M N 0.175 119.535 119.600 -0.400 0.000 2.200 354 M HA 0.025 4.505 4.480 0.001 0.000 0.265 354 M C 2.422 178.584 176.300 -0.230 0.000 1.066 354 M CA 1.428 56.517 55.300 -0.352 0.000 1.127 354 M CB -1.037 31.275 32.600 -0.480 0.000 1.379 354 M HN 0.304 nan 8.290 nan 0.000 0.420 355 A N 0.693 123.356 122.820 -0.262 0.000 1.883 355 A HA -0.202 4.118 4.320 0.001 0.000 0.217 355 A C 2.292 179.915 177.584 0.065 0.000 1.186 355 A CA 1.847 53.816 52.037 -0.113 0.000 0.624 355 A CB -0.619 18.287 19.000 -0.157 0.000 0.822 355 A HN 0.469 nan 8.150 nan 0.000 0.444 356 K N 0.263 120.593 120.400 -0.116 0.000 2.103 356 K HA -0.141 4.179 4.320 0.001 0.000 0.207 356 K C 2.312 179.010 176.600 0.164 0.000 1.048 356 K CA 1.689 57.998 56.287 0.036 0.000 0.930 356 K CB -0.234 32.187 32.500 -0.131 0.000 0.716 356 K HN 0.689 nan 8.250 nan 0.000 0.444 357 S N 0.558 116.284 115.700 0.044 0.000 2.481 357 S HA -0.096 4.375 4.470 0.001 0.000 0.231 357 S C 1.963 176.617 174.600 0.089 0.000 0.996 357 S CA 1.129 59.360 58.200 0.053 0.000 0.942 357 S CB -0.222 62.965 63.200 -0.023 0.000 0.768 357 S HN 0.298 nan 8.310 nan 0.000 0.520 358 S N 0.565 116.316 115.700 0.085 0.000 2.442 358 S HA -0.077 4.393 4.470 0.001 0.000 0.236 358 S C 1.369 175.933 174.600 -0.060 0.000 1.007 358 S CA 0.511 58.725 58.200 0.024 0.000 0.965 358 S CB -0.968 62.264 63.200 0.054 0.000 0.773 358 S HN 0.645 nan 8.310 nan 0.000 0.504 359 Y N 1.614 121.979 120.300 0.107 0.000 2.544 359 Y HA 0.339 4.889 4.550 0.001 0.000 0.286 359 Y C 1.004 176.960 175.900 0.093 0.000 1.141 359 Y CA 0.239 58.400 58.100 0.101 0.000 1.299 359 Y CB 0.101 38.613 38.460 0.086 0.000 1.030 359 Y HN 0.225 nan 8.280 nan 0.000 0.543 360 K N 1.316 121.836 120.400 0.200 0.000 2.954 360 K HA 0.235 4.555 4.320 0.001 0.000 0.171 360 K C -2.913 173.761 176.600 0.124 0.000 1.079 360 K CA -1.625 54.755 56.287 0.155 0.000 0.908 360 K CB 1.006 33.581 32.500 0.125 0.000 1.142 360 K HN -0.069 nan 8.250 nan 0.000 0.613 361 P HA 0.005 nan 4.420 nan 0.000 0.272 361 P C 0.768 178.119 177.300 0.084 0.000 1.223 361 P CA 0.022 63.185 63.100 0.105 0.000 0.784 361 P CB 1.243 33.020 31.700 0.128 0.000 0.923 362 G N 2.168 110.986 108.800 0.031 0.000 2.448 362 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 362 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 362 G C 1.649 176.509 174.900 -0.067 0.000 1.127 362 G CA 0.313 45.411 45.100 -0.002 0.000 0.766 362 G HN 0.569 nan 8.290 nan 0.000 0.552 363 R N -0.449 119.967 120.500 -0.140 0.000 2.117 363 R HA -0.078 4.262 4.340 0.001 0.000 0.243 363 R C 0.714 176.648 176.300 -0.610 0.000 1.143 363 R CA 1.178 57.036 56.100 -0.404 0.000 0.968 363 R CB -0.305 29.658 30.300 -0.561 0.000 0.863 363 R HN 0.365 nan 8.270 nan 0.000 0.444 364 F N 0.017 119.913 119.950 -0.090 0.000 2.925 364 F HA 0.365 4.892 4.527 0.001 0.000 0.302 364 F C 1.056 176.861 175.800 0.008 0.000 1.189 364 F CA 0.103 58.037 58.000 -0.110 0.000 1.346 364 F CB 1.037 39.880 39.000 -0.261 0.000 0.954 364 F HN 0.241 nan 8.300 nan 0.000 0.506 365 G N 0.317 109.172 108.800 0.091 0.000 2.203 365 G HA2 -0.099 3.862 3.960 0.001 0.000 0.263 365 G HA3 -0.099 3.862 3.960 0.001 0.000 0.263 365 G C 1.329 176.292 174.900 0.105 0.000 1.012 365 G CA 0.352 45.506 45.100 0.090 0.000 0.749 365 G HN 1.286 nan 8.290 nan 0.000 0.512 366 G N -1.745 107.127 108.800 0.119 0.000 2.195 366 G HA2 -0.232 3.728 3.960 0.001 0.000 0.246 366 G HA3 -0.232 3.728 3.960 0.001 0.000 0.246 366 G C 0.516 175.490 174.900 0.124 0.000 0.984 366 G CA 0.997 46.161 45.100 0.106 0.000 0.633 366 G HN 1.101 nan 8.290 nan 0.000 0.525 367 K N 0.694 121.193 120.400 0.165 0.000 2.414 367 K HA 0.395 4.716 4.320 0.001 0.000 0.272 367 K C 0.903 177.591 176.600 0.146 0.000 0.993 367 K CA -0.206 56.171 56.287 0.150 0.000 0.964 367 K CB 0.360 32.988 32.500 0.213 0.000 0.925 367 K HN 0.384 nan 8.250 nan 0.000 0.487 368 R N 3.272 123.824 120.500 0.086 0.000 2.316 368 R HA 0.086 4.426 4.340 0.001 0.000 0.314 368 R C -0.461 175.900 176.300 0.101 0.000 1.069 368 R CA -0.376 55.783 56.100 0.099 0.000 0.959 368 R CB 0.301 30.622 30.300 0.035 0.000 0.987 368 R HN 0.441 nan 8.270 nan 0.000 0.446 369 I N 4.696 125.369 120.570 0.172 0.000 2.322 369 I HA 0.110 4.280 4.170 0.001 0.000 0.292 369 I C 0.146 176.396 176.117 0.221 0.000 1.060 369 I CA -0.117 61.299 61.300 0.194 0.000 1.309 369 I CB 0.757 38.873 38.000 0.193 0.000 1.415 369 I HN 0.601 nan 8.210 nan 0.000 0.492 370 Q N 4.991 124.914 119.800 0.205 0.000 2.309 370 Q HA 0.388 4.728 4.340 0.001 0.000 0.264 370 Q C -0.636 175.613 176.000 0.415 0.000 1.008 370 Q CA -0.616 55.326 55.803 0.231 0.000 0.853 370 Q CB 1.795 30.520 28.738 -0.021 0.000 1.314 370 Q HN 0.507 nan 8.270 nan 0.000 0.448 371 Q N 1.632 121.628 119.800 0.327 0.000 2.235 371 Q HA 0.781 5.122 4.340 0.001 0.000 0.250 371 Q C -1.708 174.482 176.000 0.317 0.000 0.909 371 Q CA -0.028 55.955 55.803 0.300 0.000 0.910 371 Q CB 1.454 30.283 28.738 0.152 0.000 1.223 371 Q HN 0.713 nan 8.270 nan 0.000 0.432 372 A N 3.696 126.701 122.820 0.307 0.000 2.602 372 A HA 0.799 5.119 4.320 0.001 0.000 0.290 372 A C -1.535 176.161 177.584 0.188 0.000 1.114 372 A CA -0.707 51.483 52.037 0.255 0.000 0.683 372 A CB 1.250 20.436 19.000 0.311 0.000 1.281 372 A HN 0.684 nan 8.150 nan 0.000 0.416 373 I N 0.705 121.365 120.570 0.150 0.000 2.499 373 I HA 0.406 4.577 4.170 0.001 0.000 0.288 373 I C -1.364 174.818 176.117 0.108 0.000 1.048 373 I CA -0.590 60.812 61.300 0.171 0.000 1.062 373 I CB 1.914 40.036 38.000 0.202 0.000 1.238 373 I HN 0.535 nan 8.210 nan 0.000 0.426 374 L N 7.072 128.361 121.223 0.110 0.000 2.305 374 L HA 0.591 4.931 4.340 0.001 0.000 0.284 374 L C -0.044 176.760 176.870 -0.109 0.000 1.013 374 L CA 0.116 54.952 54.840 -0.006 0.000 0.819 374 L CB 1.606 43.694 42.059 0.047 0.000 1.227 374 L HN 0.664 nan 8.230 nan 0.000 0.417 375 S N 5.450 120.929 115.700 -0.368 0.000 2.501 375 S HA 0.863 5.334 4.470 0.001 0.000 0.301 375 S C -0.488 173.793 174.600 -0.532 0.000 1.096 375 S CA -0.706 57.014 58.200 -0.801 0.000 1.063 375 S CB 1.301 63.479 63.200 -1.704 0.000 1.042 375 S HN 0.531 nan 8.310 nan 0.000 0.494 376 I N 1.113 121.389 120.570 -0.491 0.000 2.686 376 I HA 0.426 4.597 4.170 0.001 0.000 0.295 376 I C -0.608 175.373 176.117 -0.227 0.000 1.114 376 I CA -1.067 60.051 61.300 -0.304 0.000 1.038 376 I CB 2.410 40.221 38.000 -0.316 0.000 1.238 376 I HN 0.531 nan 8.210 nan 0.000 0.420 377 K N 3.801 124.127 120.400 -0.122 0.000 2.368 377 K HA 0.295 4.615 4.320 0.001 0.000 0.282 377 K C -0.967 175.677 176.600 0.072 0.000 1.035 377 K CA -0.044 56.219 56.287 -0.039 0.000 0.973 377 K CB 0.818 33.304 32.500 -0.023 0.000 0.957 377 K HN 0.358 nan 8.250 nan 0.000 0.474 378 V N 5.099 125.095 119.914 0.137 0.000 2.385 378 V HA 0.416 4.536 4.120 0.001 0.000 0.269 378 V C -0.116 176.063 176.094 0.142 0.000 1.043 378 V CA 0.179 62.604 62.300 0.208 0.000 0.906 378 V CB 0.195 32.223 31.823 0.343 0.000 0.995 378 V HN 1.009 nan 8.190 nan 0.000 0.467 379 S N 2.215 117.972 115.700 0.095 0.000 2.683 379 S HA 0.239 4.710 4.470 0.001 0.000 0.269 379 S C 0.878 175.480 174.600 0.004 0.000 1.165 379 S CA 0.049 58.277 58.200 0.045 0.000 0.840 379 S CB 1.363 64.583 63.200 0.033 0.000 1.169 379 S HN 0.757 nan 8.310 nan 0.000 0.490 380 T N -0.582 113.960 114.554 -0.021 0.000 2.977 380 T HA 0.117 4.467 4.350 0.001 0.000 0.271 380 T C 0.683 175.330 174.700 -0.088 0.000 1.105 380 T CA 1.081 63.144 62.100 -0.061 0.000 1.116 380 T CB -0.586 68.242 68.868 -0.066 0.000 0.878 380 T HN 0.523 nan 8.240 nan 0.000 0.509 381 S N 1.749 117.416 115.700 -0.056 0.000 2.399 381 S HA 0.514 4.984 4.470 0.001 0.000 0.301 381 S C 0.023 174.597 174.600 -0.042 0.000 1.093 381 S CA -0.742 57.423 58.200 -0.058 0.000 1.077 381 S CB 0.379 63.559 63.200 -0.034 0.000 0.980 381 S HN 0.366 nan 8.310 nan 0.000 0.494 382 L N 2.338 123.503 121.223 -0.096 0.000 2.426 382 L HA 0.371 4.711 4.340 0.001 0.000 0.271 382 L C 1.412 178.312 176.870 0.050 0.000 1.169 382 L CA 0.211 54.971 54.840 -0.134 0.000 0.836 382 L CB 0.201 42.089 42.059 -0.284 0.000 1.112 382 L HN 0.925 nan 8.230 nan 0.000 0.465 383 G N 1.628 110.654 108.800 0.377 0.000 2.198 383 G HA2 -0.309 3.651 3.960 0.001 0.000 0.260 383 G HA3 -0.309 3.651 3.960 0.001 0.000 0.260 383 G C 0.170 175.131 174.900 0.102 0.000 1.025 383 G CA 0.369 45.627 45.100 0.263 0.000 0.769 383 G HN 0.736 nan 8.290 nan 0.000 0.507 384 E N 0.486 120.742 120.200 0.094 0.000 2.290 384 E HA 0.390 4.740 4.350 0.001 0.000 0.277 384 E C 0.667 177.256 176.600 -0.019 0.000 1.035 384 E CA 0.087 56.501 56.400 0.024 0.000 0.873 384 E CB 0.186 29.899 29.700 0.022 0.000 1.029 384 E HN 0.287 nan 8.360 nan 0.000 0.419 385 D N 3.764 124.142 120.400 -0.036 0.000 2.802 385 D HA -0.126 4.515 4.640 0.001 0.000 0.229 385 D C -2.415 173.823 176.300 -0.104 0.000 1.203 385 D CA 0.087 54.048 54.000 -0.064 0.000 0.712 385 D CB -0.224 40.539 40.800 -0.061 0.000 0.973 385 D HN 0.287 nan 8.370 nan 0.000 0.407 386 P HA 0.258 nan 4.420 nan 0.000 0.275 386 P C -0.706 176.490 177.300 -0.173 0.000 1.227 386 P CA -0.540 62.470 63.100 -0.150 0.000 0.781 386 P CB 1.325 32.955 31.700 -0.118 0.000 0.906 387 V N 4.311 124.096 119.914 -0.215 0.000 2.525 387 V HA 0.274 4.394 4.120 0.001 0.000 0.299 387 V C -0.403 175.569 176.094 -0.204 0.000 1.034 387 V CA -0.660 61.522 62.300 -0.196 0.000 0.863 387 V CB 1.808 33.525 31.823 -0.176 0.000 0.999 387 V HN 0.360 nan 8.190 nan 0.000 0.423 388 L N 4.846 125.942 121.223 -0.212 0.000 2.275 388 L HA 0.714 5.055 4.340 0.001 0.000 0.288 388 L C 0.223 177.044 176.870 -0.082 0.000 1.046 388 L CA 0.819 55.535 54.840 -0.206 0.000 0.805 388 L CB 1.680 43.501 42.059 -0.396 0.000 1.193 388 L HN 0.724 nan 8.230 nan 0.000 0.426 389 T N 4.495 119.043 114.554 -0.010 0.000 2.797 389 T HA 0.580 4.930 4.350 0.001 0.000 0.279 389 T C -0.811 173.938 174.700 0.083 0.000 0.991 389 T CA -0.376 61.749 62.100 0.042 0.000 0.979 389 T CB 1.396 70.311 68.868 0.079 0.000 0.943 389 T HN 0.314 nan 8.240 nan 0.000 0.444 390 V N 6.595 126.561 119.914 0.087 0.000 2.325 390 V HA 0.351 4.472 4.120 0.001 0.000 0.280 390 V C -1.895 174.233 176.094 0.056 0.000 1.016 390 V CA -1.784 60.590 62.300 0.124 0.000 0.818 390 V CB 0.911 32.832 31.823 0.163 0.000 1.019 390 V HN 0.743 nan 8.190 nan 0.000 0.434 391 P HA 0.254 nan 4.420 nan 0.000 0.270 391 P C -2.679 174.608 177.300 -0.023 0.000 1.223 391 P CA -1.324 61.765 63.100 -0.019 0.000 0.785 391 P CB 0.283 31.945 31.700 -0.063 0.000 0.923 392 P HA 0.095 nan 4.420 nan 0.000 0.276 392 P C 0.082 177.347 177.300 -0.058 0.000 1.230 392 P CA -0.197 62.867 63.100 -0.059 0.000 0.776 392 P CB 0.420 32.079 31.700 -0.068 0.000 0.888 393 N N 1.137 119.782 118.700 -0.091 0.000 2.551 393 N HA -0.042 4.698 4.740 0.001 0.000 0.199 393 N C 1.173 176.631 175.510 -0.087 0.000 1.277 393 N CA 0.652 53.650 53.050 -0.087 0.000 0.870 393 N CB -0.560 37.708 38.487 -0.365 0.000 1.028 393 N HN 0.525 nan 8.380 nan 0.000 0.452 394 T N -4.387 110.105 114.554 -0.103 0.000 3.086 394 T HA 0.189 4.539 4.350 0.001 0.000 0.250 394 T C 1.464 176.134 174.700 -0.051 0.000 1.074 394 T CA 0.009 62.023 62.100 -0.143 0.000 0.988 394 T CB 0.238 69.006 68.868 -0.167 0.000 0.988 394 T HN -0.099 nan 8.240 nan 0.000 0.530 395 V N 1.094 121.022 119.914 0.023 0.000 3.029 395 V HA 0.230 4.350 4.120 0.001 0.000 0.230 395 V C 1.254 177.493 176.094 0.241 0.000 1.254 395 V CA 0.727 63.101 62.300 0.124 0.000 1.276 395 V CB 0.226 32.061 31.823 0.020 0.000 1.080 395 V HN 0.671 nan 8.190 nan 0.000 0.495 396 T N 0.425 115.027 114.554 0.079 0.000 2.909 396 T HA 0.688 5.039 4.350 0.001 0.000 0.286 396 T C -0.260 174.630 174.700 0.317 0.000 1.002 396 T CA -0.332 61.807 62.100 0.065 0.000 1.074 396 T CB 1.570 70.363 68.868 -0.125 0.000 0.984 396 T HN 0.085 nan 8.240 nan 0.000 0.495 397 L N 1.621 123.039 121.223 0.324 0.000 2.567 397 L HA 0.443 4.784 4.340 0.001 0.000 0.238 397 L C 1.324 178.234 176.870 0.067 0.000 1.168 397 L CA -1.410 53.529 54.840 0.166 0.000 0.817 397 L CB 0.402 42.480 42.059 0.033 0.000 1.409 397 L HN 0.707 nan 8.230 nan 0.000 0.502 398 M N 0.634 120.068 119.600 -0.276 0.000 2.216 398 M HA 0.010 4.490 4.480 0.001 0.000 0.328 398 M C 0.476 176.816 176.300 0.067 0.000 1.062 398 M CA 0.365 55.587 55.300 -0.130 0.000 1.012 398 M CB 0.388 32.882 32.600 -0.178 0.000 1.622 398 M HN 0.600 nan 8.290 nan 0.000 0.448 399 G N 3.081 111.989 108.800 0.180 0.000 2.491 399 G HA2 0.499 4.459 3.960 0.001 0.000 0.238 399 G HA3 0.499 4.459 3.960 0.001 0.000 0.238 399 G C -0.775 174.229 174.900 0.172 0.000 1.277 399 G CA -0.007 45.237 45.100 0.241 0.000 0.851 399 G HN 1.104 nan 8.290 nan 0.000 0.573 400 A N 1.426 124.224 122.820 -0.037 0.000 2.536 400 A HA 0.670 4.991 4.320 0.001 0.000 0.293 400 A C -0.268 176.765 177.584 -0.918 0.000 1.119 400 A CA -0.760 50.985 52.037 -0.486 0.000 0.654 400 A CB 0.558 19.414 19.000 -0.239 0.000 1.291 400 A HN 0.663 nan 8.150 nan 0.000 0.439 401 E N -0.639 119.017 120.200 -0.907 0.000 2.436 401 E HA 0.391 4.741 4.350 0.001 0.000 0.262 401 E C 0.435 176.997 176.600 -0.063 0.000 1.063 401 E CA 1.115 57.282 56.400 -0.387 0.000 0.944 401 E CB 0.691 30.424 29.700 0.055 0.000 0.950 401 E HN 1.007 nan 8.360 nan 0.000 0.444 402 G N 0.876 109.807 108.800 0.218 0.000 2.554 402 G HA2 0.510 4.471 3.960 0.001 0.000 0.306 402 G HA3 0.510 4.471 3.960 0.001 0.000 0.306 402 G C -1.540 173.680 174.900 0.533 0.000 1.320 402 G CA -0.756 44.503 45.100 0.266 0.000 0.800 402 G HN 0.428 nan 8.290 nan 0.000 0.481 403 R N -0.757 120.041 120.500 0.497 0.000 2.604 403 R HA 0.603 4.943 4.340 0.001 0.000 0.270 403 R C -1.708 174.836 176.300 0.407 0.000 1.052 403 R CA -0.749 55.654 56.100 0.505 0.000 0.902 403 R CB 1.745 32.418 30.300 0.621 0.000 1.233 403 R HN 0.444 nan 8.270 nan 0.000 0.455 404 I N 6.516 127.297 120.570 0.352 0.000 2.389 404 I HA 0.388 4.559 4.170 0.001 0.000 0.288 404 I C -0.504 175.785 176.117 0.286 0.000 0.999 404 I CA -0.885 60.589 61.300 0.290 0.000 1.129 404 I CB 1.598 39.730 38.000 0.221 0.000 1.288 404 I HN 0.474 nan 8.210 nan 0.000 0.444 405 L N 2.854 124.271 121.223 0.322 0.000 2.376 405 L HA 0.793 5.134 4.340 0.001 0.000 0.258 405 L C -0.899 176.187 176.870 0.360 0.000 1.013 405 L CA -0.574 54.468 54.840 0.337 0.000 0.822 405 L CB 2.354 44.636 42.059 0.371 0.000 1.388 405 L HN 0.262 nan 8.230 nan 0.000 0.413 406 T N 1.353 116.104 114.554 0.328 0.000 2.812 406 T HA 0.650 5.000 4.350 0.001 0.000 0.282 406 T C -0.650 174.200 174.700 0.250 0.000 0.990 406 T CA -0.414 61.865 62.100 0.298 0.000 0.960 406 T CB 1.813 70.866 68.868 0.308 0.000 0.948 406 T HN 0.447 nan 8.240 nan 0.000 0.438 407 V N 3.189 123.240 119.914 0.229 0.000 2.443 407 V HA 0.754 4.875 4.120 0.001 0.000 0.293 407 V C 0.949 177.065 176.094 0.037 0.000 1.021 407 V CA 0.065 62.475 62.300 0.184 0.000 0.848 407 V CB 0.678 32.644 31.823 0.238 0.000 0.998 407 V HN 1.230 nan 8.190 nan 0.000 0.424 408 G N 5.143 113.926 108.800 -0.029 0.000 2.561 408 G HA2 -0.321 3.640 3.960 0.001 0.000 0.289 408 G HA3 -0.321 3.640 3.960 0.001 0.000 0.289 408 G C 0.867 175.671 174.900 -0.160 0.000 1.169 408 G CA 0.962 45.980 45.100 -0.136 0.000 0.980 408 G HN 1.478 nan 8.290 nan 0.000 0.550 409 T N -1.993 112.405 114.554 -0.260 0.000 3.054 409 T HA 0.600 4.951 4.350 0.001 0.000 0.255 409 T C 0.821 175.225 174.700 -0.492 0.000 1.035 409 T CA 1.129 63.039 62.100 -0.316 0.000 0.941 409 T CB 0.305 68.994 68.868 -0.297 0.000 1.026 409 T HN 0.839 nan 8.240 nan 0.000 0.533 410 S N 1.754 117.189 115.700 -0.440 0.000 2.578 410 S HA 0.520 4.990 4.470 0.001 0.000 0.283 410 S C -0.747 173.386 174.600 -0.779 0.000 1.195 410 S CA -0.775 57.068 58.200 -0.595 0.000 1.050 410 S CB 0.560 63.530 63.200 -0.384 0.000 1.012 410 S HN 0.445 nan 8.310 nan 0.000 0.511 411 H N 0.929 119.665 119.070 -0.556 0.000 2.569 411 H HA 0.591 5.147 4.556 0.001 0.000 0.357 411 H C -1.169 173.789 175.328 -0.616 0.000 1.153 411 H CA -0.503 55.299 56.048 -0.411 0.000 1.193 411 H CB 1.000 30.595 29.762 -0.278 0.000 1.602 411 H HN 0.448 nan 8.280 nan 0.000 0.523 412 F N 0.819 120.899 119.950 0.216 0.000 2.599 412 F HA 0.377 4.904 4.527 0.001 0.000 0.311 412 F C -0.457 175.481 175.800 0.231 0.000 1.076 412 F CA -0.856 57.276 58.000 0.219 0.000 0.937 412 F CB 2.239 41.345 39.000 0.176 0.000 1.282 412 F HN 0.226 nan 8.300 nan 0.000 0.460 413 L N 3.261 124.769 121.223 0.474 0.000 2.342 413 L HA 0.485 4.825 4.340 0.001 0.000 0.276 413 L C -1.511 175.622 176.870 0.438 0.000 0.997 413 L CA -0.824 54.254 54.840 0.396 0.000 0.838 413 L CB 0.887 43.128 42.059 0.304 0.000 1.224 413 L HN 0.671 nan 8.230 nan 0.000 0.416 414 Y N 4.693 125.144 120.300 0.251 0.000 2.304 414 Y HA 0.418 4.968 4.550 0.001 0.000 0.328 414 Y C -0.541 175.440 175.900 0.135 0.000 1.123 414 Y CA -0.185 57.992 58.100 0.128 0.000 1.218 414 Y CB 1.004 39.475 38.460 0.018 0.000 1.207 414 Y HN 0.674 nan 8.280 nan 0.000 0.495 415 Q N 6.952 126.328 119.800 -0.707 0.000 2.321 415 Q HA 0.322 4.662 4.340 0.001 0.000 0.270 415 Q C -0.877 174.496 176.000 -1.046 0.000 1.032 415 Q CA -1.078 54.357 55.803 -0.612 0.000 0.784 415 Q CB 1.218 29.955 28.738 -0.003 0.000 1.264 415 Q HN 0.925 nan 8.270 nan 0.000 0.448 416 R N 1.965 121.941 120.500 -0.875 0.000 2.679 416 R HA 0.130 4.471 4.340 0.001 0.000 0.268 416 R C 0.090 176.222 176.300 -0.280 0.000 1.044 416 R CA 0.694 56.475 56.100 -0.530 0.000 1.105 416 R CB 0.350 30.509 30.300 -0.236 0.000 0.989 416 R HN 0.762 nan 8.270 nan 0.000 0.447 417 G N 2.208 110.905 108.800 -0.172 0.000 3.343 417 G HA2 0.060 4.020 3.960 0.001 0.000 0.264 417 G HA3 0.060 4.020 3.960 0.001 0.000 0.264 417 G C 0.235 175.091 174.900 -0.075 0.000 0.884 417 G CA -0.504 44.535 45.100 -0.102 0.000 1.916 417 G HN 0.662 nan 8.290 nan 0.000 0.618 418 S N 0.189 115.844 115.700 -0.074 0.000 2.562 418 S HA 0.074 4.545 4.470 0.001 0.000 0.221 418 S C 1.770 176.363 174.600 -0.011 0.000 0.975 418 S CA 0.226 58.408 58.200 -0.030 0.000 0.918 418 S CB 0.275 63.468 63.200 -0.013 0.000 0.772 418 S HN 0.526 nan 8.310 nan 0.000 0.531 419 S N 0.141 115.810 115.700 -0.053 0.000 2.626 419 S HA 0.303 4.774 4.470 0.001 0.000 0.243 419 S C 1.148 175.740 174.600 -0.013 0.000 1.116 419 S CA -0.382 57.787 58.200 -0.052 0.000 1.089 419 S CB -0.224 62.870 63.200 -0.176 0.000 1.180 419 S HN 0.417 nan 8.310 nan 0.000 0.523 420 Y N 0.098 120.439 120.300 0.069 0.000 2.475 420 Y HA 0.412 4.963 4.550 0.001 0.000 0.289 420 Y C 0.392 176.385 175.900 0.154 0.000 1.121 420 Y CA -0.419 57.736 58.100 0.092 0.000 1.257 420 Y CB -0.498 38.012 38.460 0.084 0.000 1.026 420 Y HN 0.278 nan 8.280 nan 0.000 0.555 421 F N 1.822 121.488 119.950 -0.473 0.000 2.445 421 F HA 0.311 4.838 4.527 0.001 0.000 0.359 421 F C 1.590 177.330 175.800 -0.099 0.000 1.101 421 F CA -0.557 57.318 58.000 -0.207 0.000 1.177 421 F CB 1.377 40.191 39.000 -0.310 0.000 1.110 421 F HN 0.088 nan 8.300 nan 0.000 0.522 422 S N 5.856 121.287 115.700 -0.447 0.000 2.387 422 S HA 0.204 4.675 4.470 0.001 0.000 0.221 422 S C -1.991 172.362 174.600 -0.412 0.000 1.041 422 S CA -0.019 57.984 58.200 -0.328 0.000 0.959 422 S CB -0.772 62.310 63.200 -0.197 0.000 0.843 422 S HN 0.485 nan 8.310 nan 0.000 0.488 423 P HA 0.176 nan 4.420 nan 0.000 0.266 423 P C -0.795 176.352 177.300 -0.256 0.000 1.195 423 P CA 0.179 63.034 63.100 -0.408 0.000 0.768 423 P CB 0.449 31.904 31.700 -0.407 0.000 0.838 424 A N 4.316 126.983 122.820 -0.256 0.000 2.546 424 A HA 0.164 4.485 4.320 0.001 0.000 0.243 424 A C 0.264 177.864 177.584 0.027 0.000 1.063 424 A CA 0.150 52.010 52.037 -0.295 0.000 0.757 424 A CB -0.752 17.697 19.000 -0.919 0.000 0.991 424 A HN 0.538 nan 8.150 nan 0.000 0.503 425 L N 2.430 123.671 121.223 0.029 0.000 2.317 425 L HA 0.514 4.855 4.340 0.001 0.000 0.281 425 L C -0.650 176.235 176.870 0.025 0.000 1.024 425 L CA -0.670 54.130 54.840 -0.067 0.000 0.810 425 L CB 1.620 43.497 42.059 -0.303 0.000 1.240 425 L HN 0.599 nan 8.230 nan 0.000 0.427 426 L N 4.142 125.383 121.223 0.030 0.000 2.485 426 L HA 0.381 4.721 4.340 0.001 0.000 0.260 426 L C -1.078 175.960 176.870 0.280 0.000 0.998 426 L CA -0.167 54.807 54.840 0.224 0.000 0.883 426 L CB 0.704 42.924 42.059 0.268 0.000 1.196 426 L HN 0.250 nan 8.230 nan 0.000 0.443 427 Y N 4.885 125.358 120.300 0.287 0.000 2.436 427 Y HA 0.324 4.875 4.550 0.001 0.000 0.336 427 Y C -1.824 174.271 175.900 0.325 0.000 1.049 427 Y CA -1.987 56.254 58.100 0.234 0.000 1.294 427 Y CB 0.204 38.746 38.460 0.137 0.000 1.179 427 Y HN 0.462 nan 8.280 nan 0.000 0.520 428 P HA 0.060 nan 4.420 nan 0.000 0.268 428 P C -0.500 176.977 177.300 0.294 0.000 1.204 428 P CA 0.008 63.303 63.100 0.324 0.000 0.768 428 P CB 0.563 32.416 31.700 0.254 0.000 0.842 429 M N 3.126 122.808 119.600 0.136 0.000 2.326 429 M HA 0.425 4.905 4.480 0.001 0.000 0.306 429 M C -0.913 175.427 176.300 0.068 0.000 1.054 429 M CA -0.285 55.078 55.300 0.106 0.000 0.922 429 M CB 1.703 34.334 32.600 0.051 0.000 1.632 429 M HN 0.317 nan 8.290 nan 0.000 0.436 430 T N 1.547 116.147 114.554 0.077 0.000 2.885 430 T HA 0.745 5.095 4.350 0.001 0.000 0.285 430 T C -0.682 173.955 174.700 -0.104 0.000 1.019 430 T CA -0.805 61.322 62.100 0.045 0.000 1.010 430 T CB 1.813 70.777 68.868 0.160 0.000 1.022 430 T HN 0.437 nan 8.240 nan 0.000 0.466 431 V N 1.924 121.730 119.914 -0.179 0.000 2.581 431 V HA 0.727 4.847 4.120 0.001 0.000 0.303 431 V C 0.085 176.123 176.094 -0.093 0.000 1.041 431 V CA -0.695 61.434 62.300 -0.286 0.000 0.907 431 V CB 1.876 33.327 31.823 -0.621 0.000 0.994 431 V HN 1.085 nan 8.190 nan 0.000 0.442 432 S N 4.411 120.108 115.700 -0.006 0.000 2.389 432 S HA 0.447 4.918 4.470 0.001 0.000 0.201 432 S C 0.102 174.754 174.600 0.087 0.000 1.422 432 S CA -0.285 57.936 58.200 0.035 0.000 1.216 432 S CB -0.565 62.653 63.200 0.030 0.000 1.130 432 S HN 1.014 nan 8.310 nan 0.000 0.465 433 N N 2.069 120.825 118.700 0.094 0.000 1.854 433 N HA -0.206 4.534 4.740 0.001 0.000 0.172 433 N C -0.043 175.586 175.510 0.199 0.000 0.700 433 N CA 1.619 54.733 53.050 0.106 0.000 1.268 433 N CB -0.676 37.844 38.487 0.055 0.000 1.408 433 N HN 0.513 nan 8.380 nan 0.000 0.428 434 K N 1.310 121.777 120.400 0.111 0.000 2.374 434 K HA 0.149 4.470 4.320 0.001 0.000 0.196 434 K C 0.413 177.061 176.600 0.080 0.000 1.023 434 K CA 0.868 57.163 56.287 0.014 0.000 1.103 434 K CB 0.465 32.918 32.500 -0.079 0.000 0.848 434 K HN 0.668 nan 8.250 nan 0.000 0.528 435 T N -2.052 112.642 114.554 0.235 0.000 2.940 435 T HA 0.800 5.151 4.350 0.001 0.000 0.288 435 T C -0.381 174.501 174.700 0.303 0.000 1.045 435 T CA -0.926 61.315 62.100 0.235 0.000 1.018 435 T CB 2.367 71.293 68.868 0.097 0.000 1.151 435 T HN 0.064 nan 8.240 nan 0.000 0.529 436 A N 0.447 123.393 122.820 0.211 0.000 2.485 436 A HA 0.877 5.198 4.320 0.001 0.000 0.292 436 A C -0.488 177.096 177.584 -0.000 0.000 1.147 436 A CA -0.936 51.138 52.037 0.061 0.000 0.750 436 A CB 1.581 20.615 19.000 0.057 0.000 1.331 436 A HN 0.942 nan 8.150 nan 0.000 0.419 437 T N 1.108 115.626 114.554 -0.060 0.000 2.921 437 T HA 0.548 4.898 4.350 0.001 0.000 0.297 437 T C -0.886 173.674 174.700 -0.232 0.000 1.013 437 T CA -0.227 61.786 62.100 -0.144 0.000 0.990 437 T CB 0.831 69.599 68.868 -0.167 0.000 1.023 437 T HN 0.491 nan 8.240 nan 0.000 0.447 438 L N 3.727 124.790 121.223 -0.267 0.000 2.325 438 L HA 0.610 4.950 4.340 0.001 0.000 0.278 438 L C 0.257 176.926 176.870 -0.336 0.000 1.023 438 L CA -1.063 53.659 54.840 -0.197 0.000 0.811 438 L CB 1.135 43.094 42.059 -0.167 0.000 1.249 438 L HN 0.601 nan 8.230 nan 0.000 0.431 439 H N 0.388 119.525 119.070 0.111 0.000 2.754 439 H HA 0.317 4.873 4.556 0.001 0.000 0.352 439 H C -0.392 175.037 175.328 0.167 0.000 1.213 439 H CA -0.979 55.129 56.048 0.101 0.000 1.244 439 H CB 1.741 31.532 29.762 0.049 0.000 1.843 439 H HN 0.468 nan 8.280 nan 0.000 0.587 440 S N 3.679 119.519 115.700 0.233 0.000 2.626 440 S HA -0.005 4.465 4.470 0.001 0.000 0.303 440 S C -1.959 172.644 174.600 0.004 0.000 1.256 440 S CA -0.706 57.584 58.200 0.150 0.000 1.069 440 S CB -0.103 63.151 63.200 0.090 0.000 0.807 440 S HN 0.390 nan 8.310 nan 0.000 0.500 441 P HA 0.169 nan 4.420 nan 0.000 0.274 441 P C -0.871 176.235 177.300 -0.324 0.000 1.231 441 P CA -0.369 62.520 63.100 -0.352 0.000 0.790 441 P CB 0.441 31.550 31.700 -0.985 0.000 0.951 442 Y N 0.339 120.533 120.300 -0.177 0.000 2.301 442 Y HA 0.375 4.926 4.550 0.001 0.000 0.328 442 Y C 1.374 177.057 175.900 -0.363 0.000 1.242 442 Y CA 0.725 58.680 58.100 -0.242 0.000 1.323 442 Y CB 0.912 39.290 38.460 -0.138 0.000 1.266 442 Y HN 0.355 nan 8.280 nan 0.000 0.527 443 T N -0.743 113.573 114.554 -0.396 0.000 2.912 443 T HA 0.646 4.996 4.350 0.001 0.000 0.299 443 T C -1.245 173.069 174.700 -0.643 0.000 1.052 443 T CA -0.871 61.054 62.100 -0.290 0.000 0.996 443 T CB 0.910 69.780 68.868 0.004 0.000 1.070 443 T HN 0.272 nan 8.240 nan 0.000 0.465 444 F N 2.181 122.129 119.950 -0.004 0.000 2.564 444 F HA 0.447 4.974 4.527 0.001 0.000 0.368 444 F C 1.389 177.189 175.800 0.000 0.000 1.127 444 F CA -1.305 56.704 58.000 0.015 0.000 1.170 444 F CB 0.745 39.757 39.000 0.020 0.000 1.397 444 F HN 0.608 nan 8.300 nan 0.000 0.493 445 N N 2.144 120.901 118.700 0.096 0.000 2.132 445 N HA -0.253 4.487 4.740 0.001 0.000 0.191 445 N C 1.963 177.540 175.510 0.111 0.000 1.015 445 N CA 1.938 55.035 53.050 0.079 0.000 0.864 445 N CB 0.214 38.776 38.487 0.126 0.000 1.006 445 N HN 0.623 nan 8.380 nan 0.000 0.430 446 A N -1.217 121.722 122.820 0.198 0.000 2.123 446 A HA 0.063 4.383 4.320 0.001 0.000 0.214 446 A C 0.617 178.332 177.584 0.218 0.000 1.152 446 A CA 0.015 52.192 52.037 0.234 0.000 0.728 446 A CB -0.353 18.836 19.000 0.315 0.000 0.814 446 A HN 0.336 nan 8.150 nan 0.000 0.464 447 F N 3.260 123.106 119.950 -0.173 0.000 2.626 447 F HA 0.294 4.821 4.527 0.001 0.000 0.353 447 F C 0.952 176.563 175.800 -0.316 0.000 1.230 447 F CA -0.627 56.990 58.000 -0.638 0.000 1.298 447 F CB -0.889 37.431 39.000 -1.133 0.000 1.670 447 F HN 0.158 nan 8.300 nan 0.000 0.633 448 T N 2.306 116.938 114.554 0.131 0.000 2.862 448 T HA 0.677 5.028 4.350 0.001 0.000 0.276 448 T C -0.004 174.737 174.700 0.067 0.000 0.974 448 T CA -0.918 61.202 62.100 0.033 0.000 0.966 448 T CB 2.000 70.878 68.868 0.016 0.000 1.072 448 T HN 0.550 nan 8.240 nan 0.000 0.538 449 R N 0.198 120.701 120.500 0.006 0.000 2.771 449 R HA 0.523 4.864 4.340 0.001 0.000 0.274 449 R C -3.446 172.861 176.300 0.012 0.000 0.987 449 R CA -2.281 53.831 56.100 0.021 0.000 0.908 449 R CB 0.868 31.163 30.300 -0.010 0.000 1.213 449 R HN 0.505 nan 8.270 nan 0.000 0.468 450 P HA 0.373 nan 4.420 nan 0.000 0.274 450 P C -0.450 176.859 177.300 0.016 0.000 1.231 450 P CA 0.025 63.139 63.100 0.023 0.000 0.790 450 P CB 1.274 32.994 31.700 0.033 0.000 0.951 451 G N 0.320 109.132 108.800 0.019 0.000 2.673 451 G HA2 0.377 4.337 3.960 0.001 0.000 0.292 451 G HA3 0.377 4.337 3.960 0.001 0.000 0.292 451 G C -1.148 173.767 174.900 0.025 0.000 1.450 451 G CA -0.481 44.631 45.100 0.019 0.000 0.837 451 G HN 0.376 nan 8.290 nan 0.000 0.505 452 S N -0.009 115.706 115.700 0.025 0.000 2.562 452 S HA 0.281 4.751 4.470 0.001 0.000 0.281 452 S C 0.954 175.573 174.600 0.031 0.000 1.333 452 S CA -0.295 57.920 58.200 0.025 0.000 1.052 452 S CB 0.551 63.763 63.200 0.020 0.000 0.884 452 S HN 0.440 nan 8.310 nan 0.000 0.506 453 I N 4.375 124.962 120.570 0.029 0.000 2.813 453 I HA 0.054 4.225 4.170 0.001 0.000 0.287 453 I C -1.034 175.105 176.117 0.037 0.000 1.196 453 I CA -1.148 60.172 61.300 0.034 0.000 1.421 453 I CB 0.346 38.363 38.000 0.028 0.000 1.365 453 I HN 0.527 nan 8.210 nan 0.000 0.591 454 P HA 0.132 nan 4.420 nan 0.000 0.253 454 P C 0.016 177.359 177.300 0.073 0.000 1.459 454 P CA 0.098 63.231 63.100 0.056 0.000 0.908 454 P CB -0.147 31.589 31.700 0.059 0.000 1.470 455 c N 0.421 119.063 118.600 0.071 0.000 2.469 455 c HA 0.288 4.858 4.570 0.001 0.000 0.298 455 c C 0.752 174.875 174.090 0.054 0.000 1.436 455 c CA -0.421 55.959 56.329 0.085 0.000 1.783 455 c CB -1.583 40.983 42.510 0.093 0.000 2.726 455 c HN 0.289 nan 8.230 nan 0.000 0.541 456 Q N 0.548 120.375 119.800 0.045 0.000 2.407 456 Q HA 0.537 4.878 4.340 0.001 0.000 0.214 456 Q C 1.476 177.488 176.000 0.020 0.000 1.043 456 Q CA 0.190 56.011 55.803 0.030 0.000 0.983 456 Q CB 0.350 29.106 28.738 0.029 0.000 1.211 456 Q HN 0.295 nan 8.270 nan 0.000 0.564 457 A N 0.648 123.476 122.820 0.013 0.000 1.958 457 A HA -0.243 4.078 4.320 0.001 0.000 0.221 457 A C 1.866 179.448 177.584 -0.003 0.000 1.178 457 A CA 2.265 54.302 52.037 0.001 0.000 0.642 457 A CB -1.122 17.887 19.000 0.014 0.000 0.816 457 A HN 0.762 nan 8.150 nan 0.000 0.453 458 S N -0.685 115.023 115.700 0.014 0.000 2.593 458 S HA 0.536 5.007 4.470 0.001 0.000 0.217 458 S C 0.935 175.551 174.600 0.028 0.000 0.966 458 S CA 0.303 58.514 58.200 0.019 0.000 0.914 458 S CB -0.729 62.486 63.200 0.025 0.000 0.776 458 S HN 0.997 nan 8.310 nan 0.000 0.523 459 A N 2.656 125.498 122.820 0.036 0.000 2.586 459 A HA 0.319 4.639 4.320 0.001 0.000 0.231 459 A C 1.249 178.884 177.584 0.084 0.000 1.055 459 A CA 0.226 52.303 52.037 0.067 0.000 0.756 459 A CB 0.046 19.103 19.000 0.096 0.000 0.988 459 A HN 0.774 nan 8.150 nan 0.000 0.509 460 R N -0.059 120.503 120.500 0.104 0.000 2.526 460 R HA 0.287 4.627 4.340 0.001 0.000 0.346 460 R C -0.582 175.796 176.300 0.129 0.000 0.926 460 R CA -0.077 56.098 56.100 0.126 0.000 1.147 460 R CB -0.510 29.842 30.300 0.086 0.000 1.629 460 R HN 0.487 nan 8.270 nan 0.000 0.516 461 c N 1.947 120.599 118.600 0.087 0.000 2.529 461 c HA 0.596 5.166 4.570 0.001 0.000 0.329 461 c C -2.548 171.413 174.090 -0.216 0.000 1.194 461 c CA -2.003 54.319 56.329 -0.012 0.000 1.779 461 c CB 2.250 44.774 42.510 0.024 0.000 2.322 461 c HN 0.151 nan 8.230 nan 0.000 0.500 462 P HA 0.242 nan 4.420 nan 0.000 0.271 462 P C -0.511 176.486 177.300 -0.504 0.000 1.220 462 P CA 0.579 62.990 63.100 -1.148 0.000 0.768 462 P CB 0.434 31.640 31.700 -0.824 0.000 0.848 463 N N 0.250 118.773 118.700 -0.295 0.000 2.934 463 N HA 0.268 5.008 4.740 0.001 0.000 0.253 463 N C -1.395 174.158 175.510 0.072 0.000 1.466 463 N CA -0.509 52.510 53.050 -0.051 0.000 0.858 463 N CB 1.741 40.245 38.487 0.029 0.000 1.459 463 N HN 0.110 nan 8.380 nan 0.000 0.532 464 S N 0.343 116.068 115.700 0.041 0.000 2.422 464 S HA 0.751 5.222 4.470 0.001 0.000 0.308 464 S C -0.368 174.270 174.600 0.063 0.000 1.097 464 S CA -0.357 57.878 58.200 0.057 0.000 1.099 464 S CB -0.953 62.264 63.200 0.029 0.000 0.976 464 S HN 0.588 nan 8.310 nan 0.000 0.471 465 c N 2.113 120.759 118.600 0.076 0.000 3.312 465 c HA 0.793 5.364 4.570 0.001 0.000 0.332 465 c C -1.101 173.031 174.090 0.069 0.000 1.340 465 c CA -0.816 55.551 56.329 0.062 0.000 1.265 465 c CB 0.573 43.123 42.510 0.067 0.000 1.563 465 c HN 0.507 nan 8.230 nan 0.000 0.471 466 V N 1.560 121.510 119.914 0.061 0.000 2.454 466 V HA 0.686 4.807 4.120 0.001 0.000 0.267 466 V C 0.197 176.325 176.094 0.057 0.000 0.993 466 V CA 0.653 63.008 62.300 0.091 0.000 0.836 466 V CB 0.455 32.369 31.823 0.151 0.000 1.055 466 V HN 1.271 nan 8.190 nan 0.000 0.452 467 T N 2.130 116.710 114.554 0.042 0.000 2.565 467 T HA 0.848 5.199 4.350 0.001 0.000 0.253 467 T C 0.340 175.044 174.700 0.008 0.000 0.868 467 T CA 0.892 63.007 62.100 0.024 0.000 1.213 467 T CB 1.231 70.112 68.868 0.022 0.000 1.518 467 T HN 1.817 nan 8.240 nan 0.000 0.474 468 G N -0.192 108.607 108.800 -0.001 0.000 2.741 468 G HA2 0.151 4.112 3.960 0.001 0.000 0.222 468 G HA3 0.151 4.112 3.960 0.001 0.000 0.222 468 G C -0.596 174.285 174.900 -0.032 0.000 1.364 468 G CA -0.049 45.041 45.100 -0.017 0.000 0.866 468 G HN 1.658 nan 8.290 nan 0.000 0.555 469 V N -0.864 119.026 119.914 -0.040 0.000 3.077 469 V HA 0.623 4.743 4.120 0.001 0.000 0.299 469 V C -0.948 175.137 176.094 -0.014 0.000 1.276 469 V CA -0.706 61.552 62.300 -0.070 0.000 0.993 469 V CB 1.905 33.692 31.823 -0.059 0.000 1.076 469 V HN 1.771 nan 8.190 nan 0.000 0.434 470 Y N 4.732 124.923 120.300 -0.182 0.000 2.480 470 Y HA 0.584 5.135 4.550 0.001 0.000 0.341 470 Y C 0.560 176.507 175.900 0.078 0.000 1.031 470 Y CA 0.743 58.862 58.100 0.031 0.000 1.295 470 Y CB 0.812 39.315 38.460 0.071 0.000 1.162 470 Y HN 0.788 nan 8.280 nan 0.000 0.523 471 T N 3.016 117.541 114.554 -0.048 0.000 3.160 471 T HA 0.273 4.624 4.350 0.001 0.000 0.344 471 T C -1.172 173.228 174.700 -0.501 0.000 0.981 471 T CA -1.066 61.021 62.100 -0.021 0.000 1.170 471 T CB -0.075 68.868 68.868 0.125 0.000 1.016 471 T HN 0.602 nan 8.240 nan 0.000 0.492 472 D N 2.658 122.652 120.400 -0.678 0.000 2.313 472 D HA 0.524 5.165 4.640 0.001 0.000 0.247 472 D C -2.549 173.459 176.300 -0.486 0.000 1.094 472 D CA -1.987 51.295 54.000 -1.197 0.000 0.925 472 D CB 0.912 41.173 40.800 -0.898 0.000 1.188 472 D HN 0.314 nan 8.370 nan 0.000 0.430 473 P HA 0.207 nan 4.420 nan 0.000 0.303 473 P C -1.715 175.507 177.300 -0.130 0.000 1.350 473 P CA -0.718 62.249 63.100 -0.222 0.000 0.880 473 P CB 0.723 32.114 31.700 -0.515 0.000 1.018 474 Y N 5.251 125.504 120.300 -0.079 0.000 2.331 474 Y HA 0.392 4.943 4.550 0.001 0.000 0.338 474 Y C -2.246 173.579 175.900 -0.125 0.000 0.976 474 Y CA -2.577 55.503 58.100 -0.034 0.000 1.137 474 Y CB 1.218 39.753 38.460 0.124 0.000 1.172 474 Y HN 0.279 nan 8.280 nan 0.000 0.478 475 P HA -0.084 nan 4.420 nan 0.000 0.258 475 P C -0.268 176.858 177.300 -0.289 0.000 1.187 475 P CA 0.661 63.371 63.100 -0.649 0.000 0.767 475 P CB 0.754 32.043 31.700 -0.686 0.000 0.770 476 L N 5.060 126.119 121.223 -0.275 0.000 2.641 476 L HA 0.393 4.733 4.340 0.001 0.000 0.207 476 L C 0.236 177.055 176.870 -0.084 0.000 1.049 476 L CA 0.990 55.810 54.840 -0.033 0.000 0.866 476 L CB 0.295 42.348 42.059 -0.011 0.000 1.264 476 L HN 0.137 nan 8.230 nan 0.000 0.483 477 I N 0.361 120.721 120.570 -0.351 0.000 2.404 477 I HA 0.355 4.526 4.170 0.001 0.000 0.293 477 I C -1.217 174.655 176.117 -0.410 0.000 0.992 477 I CA -0.507 60.633 61.300 -0.267 0.000 1.149 477 I CB 1.488 39.303 38.000 -0.308 0.000 1.315 477 I HN -0.113 nan 8.210 nan 0.000 0.446 478 F N 3.942 123.837 119.950 -0.092 0.000 2.593 478 F HA 0.523 5.051 4.527 0.001 0.000 0.320 478 F C -0.060 175.724 175.800 -0.027 0.000 1.060 478 F CA -0.924 57.072 58.000 -0.005 0.000 0.940 478 F CB 0.867 39.914 39.000 0.079 0.000 1.268 478 F HN 0.209 nan 8.300 nan 0.000 0.475 479 Y N 0.631 121.053 120.300 0.203 0.000 2.240 479 Y HA 0.253 4.803 4.550 0.001 0.000 0.341 479 Y C 1.827 177.749 175.900 0.038 0.000 1.326 479 Y CA -0.098 58.062 58.100 0.099 0.000 1.569 479 Y CB 0.516 39.024 38.460 0.081 0.000 1.426 479 Y HN 0.441 nan 8.280 nan 0.000 0.587 480 R N 0.233 120.833 120.500 0.167 0.000 2.148 480 R HA -0.125 4.215 4.340 0.001 0.000 0.223 480 R C 0.874 177.043 176.300 -0.219 0.000 1.088 480 R CA 1.279 57.363 56.100 -0.027 0.000 0.985 480 R CB -0.362 29.938 30.300 -0.000 0.000 0.880 480 R HN 0.685 nan 8.270 nan 0.000 0.451 481 N N -0.274 118.379 118.700 -0.079 0.000 2.434 481 N HA -0.093 4.647 4.740 0.001 0.000 0.196 481 N C -0.346 175.140 175.510 -0.039 0.000 1.183 481 N CA 0.268 53.245 53.050 -0.120 0.000 0.849 481 N CB -0.119 38.358 38.487 -0.017 0.000 0.992 481 N HN 0.207 nan 8.380 nan 0.000 0.460 482 H N -3.350 115.826 119.070 0.177 0.000 3.415 482 H HA -0.146 4.410 4.556 0.001 0.000 0.213 482 H C -0.690 174.860 175.328 0.371 0.000 1.091 482 H CA 1.216 57.382 56.048 0.196 0.000 1.182 482 H CB -2.453 27.350 29.762 0.068 0.000 1.160 482 H HN 0.306 nan 8.280 nan 0.000 0.319 483 T N 3.023 117.843 114.554 0.444 0.000 2.779 483 T HA 0.281 4.631 4.350 0.001 0.000 0.296 483 T C 0.899 175.914 174.700 0.525 0.000 0.938 483 T CA -0.543 61.839 62.100 0.471 0.000 1.119 483 T CB 0.752 69.791 68.868 0.285 0.000 0.891 483 T HN 0.157 nan 8.240 nan 0.000 0.526 484 L N 4.466 125.899 121.223 0.349 0.000 2.559 484 L HA 0.163 4.504 4.340 0.001 0.000 0.282 484 L C 1.223 178.021 176.870 -0.120 0.000 1.232 484 L CA 0.854 55.531 54.840 -0.272 0.000 0.885 484 L CB 0.203 41.752 42.059 -0.849 0.000 1.131 484 L HN 0.659 nan 8.230 nan 0.000 0.498 485 R N 2.440 122.786 120.500 -0.257 0.000 2.302 485 R HA 0.381 4.722 4.340 0.001 0.000 0.187 485 R C 0.211 176.489 176.300 -0.037 0.000 0.904 485 R CA 0.365 56.409 56.100 -0.092 0.000 1.105 485 R CB 0.551 30.695 30.300 -0.259 0.000 1.239 485 R HN 0.816 nan 8.270 nan 0.000 0.620 486 G N 0.702 109.397 108.800 -0.175 0.000 2.563 486 G HA2 0.517 4.477 3.960 0.001 0.000 0.302 486 G HA3 0.517 4.477 3.960 0.001 0.000 0.302 486 G C -1.244 173.519 174.900 -0.228 0.000 1.301 486 G CA -0.371 44.689 45.100 -0.068 0.000 0.965 486 G HN 0.106 nan 8.290 nan 0.000 0.480 487 V N -1.269 118.515 119.914 -0.217 0.000 3.102 487 V HA 0.885 5.005 4.120 0.001 0.000 0.312 487 V C -1.206 174.902 176.094 0.022 0.000 1.135 487 V CA -1.338 60.810 62.300 -0.255 0.000 1.022 487 V CB 1.830 33.268 31.823 -0.641 0.000 1.056 487 V HN 0.838 nan 8.190 nan 0.000 0.436 488 F N 1.216 121.162 119.950 -0.005 0.000 2.492 488 F HA 0.990 5.517 4.527 0.001 0.000 0.327 488 F C 0.256 176.132 175.800 0.127 0.000 1.079 488 F CA 0.534 58.573 58.000 0.065 0.000 0.967 488 F CB 1.806 40.827 39.000 0.035 0.000 1.169 488 F HN 1.161 nan 8.300 nan 0.000 0.472 489 G N 1.770 110.007 108.800 -0.938 0.000 2.523 489 G HA2 0.442 4.402 3.960 0.001 0.000 0.291 489 G HA3 0.442 4.402 3.960 0.001 0.000 0.291 489 G C -1.889 172.600 174.900 -0.683 0.000 1.450 489 G CA -0.865 43.915 45.100 -0.533 0.000 0.790 489 G HN 0.584 nan 8.290 nan 0.000 0.496 490 T N 2.054 116.442 114.554 -0.276 0.000 2.963 490 T HA 0.460 4.810 4.350 0.001 0.000 0.343 490 T C 0.676 175.338 174.700 -0.063 0.000 1.146 490 T CA -0.345 61.662 62.100 -0.156 0.000 1.016 490 T CB 0.289 69.158 68.868 0.002 0.000 1.046 490 T HN 0.674 nan 8.240 nan 0.000 0.496 491 M N 2.289 121.781 119.600 -0.179 0.000 2.283 491 M HA 0.588 5.069 4.480 0.001 0.000 0.314 491 M C -0.872 175.455 176.300 0.045 0.000 1.153 491 M CA -0.608 54.682 55.300 -0.016 0.000 1.084 491 M CB 0.722 33.213 32.600 -0.182 0.000 1.468 491 M HN 0.229 nan 8.290 nan 0.000 0.474 492 L N 2.031 123.303 121.223 0.083 0.000 2.272 492 L HA 0.237 4.577 4.340 0.001 0.000 0.284 492 L C -0.277 176.629 176.870 0.060 0.000 1.045 492 L CA -0.433 54.450 54.840 0.071 0.000 0.842 492 L CB 0.542 42.644 42.059 0.073 0.000 1.224 492 L HN 0.777 nan 8.230 nan 0.000 0.430 493 D N 2.621 123.051 120.400 0.051 0.000 2.597 493 D HA 0.081 4.722 4.640 0.001 0.000 0.228 493 D C -0.181 176.144 176.300 0.041 0.000 1.120 493 D CA 0.543 54.569 54.000 0.045 0.000 1.083 493 D CB 0.341 41.162 40.800 0.035 0.000 1.116 493 D HN 0.418 nan 8.370 nan 0.000 0.487 494 S N 1.331 117.057 115.700 0.043 0.000 2.570 494 S HA 0.246 4.716 4.470 0.001 0.000 0.270 494 S C 0.649 175.269 174.600 0.035 0.000 1.149 494 S CA -0.644 57.578 58.200 0.038 0.000 0.837 494 S CB 1.852 65.076 63.200 0.041 0.000 1.124 494 S HN 0.120 nan 8.310 nan 0.000 0.465 495 E N 1.524 121.742 120.200 0.030 0.000 2.060 495 E HA 0.117 4.467 4.350 0.001 0.000 0.189 495 E C 1.418 178.034 176.600 0.027 0.000 0.974 495 E CA 1.735 58.151 56.400 0.027 0.000 0.808 495 E CB 0.062 29.777 29.700 0.025 0.000 0.768 495 E HN 0.694 nan 8.360 nan 0.000 0.453 496 Q N -1.198 118.619 119.800 0.028 0.000 2.459 496 Q HA 0.430 4.770 4.340 0.001 0.000 0.260 496 Q C -0.098 175.920 176.000 0.031 0.000 0.828 496 Q CA 0.273 56.092 55.803 0.027 0.000 0.987 496 Q CB 0.943 29.697 28.738 0.025 0.000 1.216 496 Q HN 0.151 nan 8.270 nan 0.000 0.558 497 A N 1.400 124.241 122.820 0.035 0.000 2.340 497 A HA 0.359 4.679 4.320 0.001 0.000 0.268 497 A C -0.284 177.330 177.584 0.051 0.000 1.100 497 A CA -0.259 51.803 52.037 0.042 0.000 0.803 497 A CB 0.326 19.351 19.000 0.041 0.000 1.043 497 A HN 0.162 nan 8.150 nan 0.000 0.488 498 R N 0.942 121.481 120.500 0.065 0.000 2.893 498 R HA 0.351 4.692 4.340 0.001 0.000 0.243 498 R C -1.038 175.322 176.300 0.099 0.000 1.481 498 R CA 0.062 56.209 56.100 0.079 0.000 1.250 498 R CB -0.724 29.630 30.300 0.091 0.000 1.213 498 R HN 0.600 nan 8.270 nan 0.000 0.609 499 L N -2.396 118.875 121.223 0.080 0.000 2.801 499 L HA 0.421 4.762 4.340 0.001 0.000 0.264 499 L C -0.156 176.754 176.870 0.067 0.000 1.086 499 L CA -1.136 53.752 54.840 0.080 0.000 0.920 499 L CB 0.960 43.058 42.059 0.065 0.000 1.529 499 L HN 0.447 nan 8.230 nan 0.000 0.399 500 N N -0.296 118.442 118.700 0.063 0.000 2.725 500 N HA -0.099 4.642 4.740 0.001 0.000 0.256 500 N C -2.424 173.123 175.510 0.062 0.000 1.087 500 N CA -0.045 53.038 53.050 0.054 0.000 0.690 500 N CB -0.361 38.151 38.487 0.042 0.000 0.891 500 N HN 0.646 nan 8.380 nan 0.000 0.553 501 P HA 0.258 nan 4.420 nan 0.000 0.268 501 P C -1.055 176.298 177.300 0.089 0.000 1.204 501 P CA 0.124 63.274 63.100 0.084 0.000 0.768 501 P CB 1.341 33.099 31.700 0.097 0.000 0.842 502 A N 2.333 125.192 122.820 0.065 0.000 2.459 502 A HA 0.577 4.897 4.320 0.001 0.000 0.296 502 A C -0.537 177.048 177.584 0.002 0.000 1.039 502 A CA -0.416 51.654 52.037 0.054 0.000 0.698 502 A CB 1.041 20.049 19.000 0.014 0.000 1.261 502 A HN 0.339 nan 8.150 nan 0.000 0.405 503 S N 0.501 116.231 115.700 0.050 0.000 2.554 503 S HA 0.863 5.333 4.470 0.001 0.000 0.278 503 S C 0.240 174.722 174.600 -0.196 0.000 1.242 503 S CA 0.242 58.394 58.200 -0.079 0.000 1.051 503 S CB 1.431 64.792 63.200 0.267 0.000 0.986 503 S HN 1.923 nan 8.310 nan 0.000 0.502 504 A N 1.953 124.483 122.820 -0.483 0.000 2.540 504 A HA 0.689 5.010 4.320 0.001 0.000 0.291 504 A C -1.578 175.568 177.584 -0.730 0.000 1.083 504 A CA -0.652 51.039 52.037 -0.577 0.000 0.650 504 A CB 0.655 19.146 19.000 -0.847 0.000 1.292 504 A HN 0.565 nan 8.150 nan 0.000 0.435 505 V N 0.785 120.348 119.914 -0.584 0.000 2.435 505 V HA 0.680 4.800 4.120 0.001 0.000 0.290 505 V C -1.131 174.638 176.094 -0.543 0.000 1.030 505 V CA -0.061 62.049 62.300 -0.315 0.000 0.881 505 V CB 0.660 32.465 31.823 -0.029 0.000 0.983 505 V HN 0.611 nan 8.190 nan 0.000 0.445 506 F N 2.961 122.859 119.950 -0.086 0.000 2.577 506 F HA 0.704 5.231 4.527 0.001 0.000 0.318 506 F C 0.077 175.964 175.800 0.145 0.000 1.065 506 F CA -1.043 56.964 58.000 0.012 0.000 0.929 506 F CB 1.762 40.781 39.000 0.031 0.000 1.237 506 F HN 0.627 nan 8.300 nan 0.000 0.468 507 D N -1.268 119.380 120.400 0.413 0.000 2.689 507 D HA 0.252 4.892 4.640 0.001 0.000 0.255 507 D C 0.977 177.466 176.300 0.316 0.000 1.113 507 D CA -0.288 53.925 54.000 0.355 0.000 1.115 507 D CB 0.343 41.230 40.800 0.145 0.000 1.334 507 D HN 0.395 nan 8.370 nan 0.000 0.621 508 S N -1.427 114.291 115.700 0.030 0.000 2.402 508 S HA -0.222 4.249 4.470 0.001 0.000 0.233 508 S C 1.566 176.091 174.600 -0.124 0.000 1.030 508 S CA 2.330 60.430 58.200 -0.166 0.000 1.003 508 S CB -1.156 61.923 63.200 -0.202 0.000 0.813 508 S HN 0.810 nan 8.310 nan 0.000 0.477 509 T N -3.522 110.974 114.554 -0.096 0.000 2.966 509 T HA 0.401 4.751 4.350 0.001 0.000 0.254 509 T C 0.619 175.360 174.700 0.069 0.000 0.961 509 T CA 0.099 62.138 62.100 -0.100 0.000 0.915 509 T CB 0.183 68.822 68.868 -0.382 0.000 1.186 509 T HN 0.283 nan 8.240 nan 0.000 0.505 510 S N 0.635 116.392 115.700 0.094 0.000 2.739 510 S HA 0.768 5.238 4.470 0.001 0.000 0.306 510 S C -0.821 173.861 174.600 0.136 0.000 1.115 510 S CA -0.959 57.304 58.200 0.105 0.000 0.985 510 S CB 2.222 65.454 63.200 0.052 0.000 1.133 510 S HN 0.499 nan 8.310 nan 0.000 0.541 511 R N 0.837 121.357 120.500 0.034 0.000 2.628 511 R HA 0.509 4.850 4.340 0.001 0.000 0.288 511 R C -0.017 176.163 176.300 -0.199 0.000 0.980 511 R CA -0.385 55.615 56.100 -0.165 0.000 0.891 511 R CB 1.413 31.646 30.300 -0.112 0.000 1.188 511 R HN 0.879 nan 8.270 nan 0.000 0.450 512 S N 3.017 118.540 115.700 -0.295 0.000 2.625 512 S HA 0.257 4.727 4.470 0.001 0.000 0.262 512 S C 0.318 174.813 174.600 -0.174 0.000 1.223 512 S CA -0.702 57.398 58.200 -0.166 0.000 0.993 512 S CB 0.571 63.721 63.200 -0.084 0.000 1.051 512 S HN 0.703 nan 8.310 nan 0.000 0.562 513 R N 0.402 120.822 120.500 -0.135 0.000 2.623 513 R HA 0.277 4.618 4.340 0.001 0.000 0.271 513 R C 0.208 176.443 176.300 -0.109 0.000 1.043 513 R CA 0.032 56.038 56.100 -0.158 0.000 1.083 513 R CB -0.172 29.955 30.300 -0.289 0.000 0.974 513 R HN 0.710 nan 8.270 nan 0.000 0.436 514 I N -0.857 119.643 120.570 -0.116 0.000 2.947 514 I HA 0.486 4.656 4.170 0.001 0.000 0.314 514 I C -0.675 175.389 176.117 -0.088 0.000 1.028 514 I CA -0.717 60.518 61.300 -0.109 0.000 1.077 514 I CB 2.406 40.340 38.000 -0.110 0.000 1.274 514 I HN 0.333 nan 8.210 nan 0.000 0.485 515 T N 2.953 117.451 114.554 -0.093 0.000 2.930 515 T HA 0.393 4.744 4.350 0.001 0.000 0.313 515 T C -0.290 174.316 174.700 -0.157 0.000 1.019 515 T CA -0.564 61.411 62.100 -0.207 0.000 1.004 515 T CB 0.543 69.211 68.868 -0.334 0.000 0.987 515 T HN 0.514 nan 8.240 nan 0.000 0.456 516 R N 2.082 122.507 120.500 -0.125 0.000 2.489 516 R HA 0.209 4.549 4.340 0.001 0.000 0.287 516 R C 1.211 177.586 176.300 0.124 0.000 1.053 516 R CA -0.342 55.760 56.100 0.002 0.000 1.036 516 R CB 0.691 30.985 30.300 -0.010 0.000 0.966 516 R HN 0.365 nan 8.270 nan 0.000 0.432 517 V N 1.318 121.423 119.914 0.319 0.000 2.358 517 V HA -0.215 3.905 4.120 0.001 0.000 0.246 517 V C 1.442 177.709 176.094 0.289 0.000 1.047 517 V CA 2.175 64.788 62.300 0.522 0.000 1.035 517 V CB -0.189 31.776 31.823 0.236 0.000 0.658 517 V HN 0.902 nan 8.190 nan 0.000 0.452 518 S N -2.810 112.970 115.700 0.134 0.000 4.135 518 S HA 0.306 4.777 4.470 0.001 0.000 0.190 518 S C 0.152 174.767 174.600 0.024 0.000 1.236 518 S CA 0.321 58.553 58.200 0.054 0.000 1.194 518 S CB 0.820 64.027 63.200 0.011 0.000 1.975 518 S HN 0.354 nan 8.310 nan 0.000 0.727 519 S N 0.911 116.617 115.700 0.010 0.000 2.739 519 S HA 0.537 5.007 4.470 0.001 0.000 0.306 519 S C 0.567 175.178 174.600 0.019 0.000 1.115 519 S CA -0.431 57.773 58.200 0.007 0.000 0.985 519 S CB 1.614 64.812 63.200 -0.003 0.000 1.133 519 S HN 0.532 nan 8.310 nan 0.000 0.541 520 S N 0.915 116.625 115.700 0.017 0.000 2.561 520 S HA -0.008 4.463 4.470 0.001 0.000 0.225 520 S C 1.491 176.106 174.600 0.026 0.000 0.977 520 S CA 0.387 58.601 58.200 0.022 0.000 0.926 520 S CB -0.115 63.095 63.200 0.017 0.000 0.769 520 S HN 0.554 nan 8.310 nan 0.000 0.533 521 S N 0.911 116.625 115.700 0.024 0.000 2.439 521 S HA 0.042 4.512 4.470 0.001 0.000 0.224 521 S C 0.878 175.495 174.600 0.028 0.000 1.029 521 S CA 0.149 58.364 58.200 0.026 0.000 0.946 521 S CB -0.144 63.072 63.200 0.027 0.000 0.797 521 S HN 0.438 nan 8.310 nan 0.000 0.504 522 T N 4.026 118.595 114.554 0.026 0.000 2.849 522 T HA 0.016 4.367 4.350 0.001 0.000 0.289 522 T C 0.075 174.813 174.700 0.064 0.000 1.010 522 T CA 0.785 62.904 62.100 0.031 0.000 1.161 522 T CB 0.054 68.942 68.868 0.034 0.000 0.989 522 T HN 0.254 nan 8.240 nan 0.000 0.523 523 K N 1.753 122.194 120.400 0.069 0.000 2.118 523 K HA 0.698 5.018 4.320 0.001 0.000 0.267 523 K C -0.212 176.584 176.600 0.326 0.000 0.991 523 K CA -0.723 55.657 56.287 0.154 0.000 0.916 523 K CB 1.488 34.035 32.500 0.077 0.000 1.041 523 K HN 0.655 nan 8.250 nan 0.000 0.455 524 A N 0.621 123.652 122.820 0.351 0.000 2.498 524 A HA 0.704 5.024 4.320 0.001 0.000 0.298 524 A C -0.402 177.257 177.584 0.125 0.000 1.075 524 A CA -0.481 51.735 52.037 0.297 0.000 0.714 524 A CB 1.774 20.875 19.000 0.170 0.000 1.299 524 A HN 0.729 nan 8.150 nan 0.000 0.407 525 A N 0.049 122.819 122.820 -0.085 0.000 2.226 525 A HA 0.665 4.986 4.320 0.001 0.000 0.207 525 A C -0.297 177.151 177.584 -0.227 0.000 1.293 525 A CA 0.540 52.421 52.037 -0.259 0.000 0.968 525 A CB 0.423 19.065 19.000 -0.596 0.000 1.044 525 A HN 0.915 nan 8.150 nan 0.000 0.493 526 Y N -0.808 119.477 120.300 -0.026 0.000 2.558 526 Y HA 0.502 5.052 4.550 0.001 0.000 0.333 526 Y C -0.422 175.550 175.900 0.119 0.000 1.125 526 Y CA -0.410 57.737 58.100 0.080 0.000 1.039 526 Y CB 1.929 40.383 38.460 -0.010 0.000 1.331 526 Y HN 0.111 nan 8.280 nan 0.000 0.456 527 T N -1.094 113.694 114.554 0.390 0.000 3.071 527 T HA 0.608 4.959 4.350 0.001 0.000 0.311 527 T C -1.204 173.717 174.700 0.368 0.000 1.042 527 T CA -0.713 61.556 62.100 0.282 0.000 1.028 527 T CB 1.717 70.700 68.868 0.191 0.000 1.068 527 T HN 0.675 nan 8.240 nan 0.000 0.451 528 T N 2.134 116.863 114.554 0.291 0.000 2.879 528 T HA 0.668 5.019 4.350 0.001 0.000 0.290 528 T C -0.841 173.987 174.700 0.213 0.000 0.993 528 T CA -0.365 61.936 62.100 0.335 0.000 0.975 528 T CB 1.117 70.199 68.868 0.356 0.000 0.981 528 T HN 0.764 nan 8.240 nan 0.000 0.439 529 S N 2.980 118.819 115.700 0.232 0.000 2.532 529 S HA 0.825 5.295 4.470 0.001 0.000 0.301 529 S C -0.694 173.976 174.600 0.117 0.000 1.083 529 S CA -0.710 57.611 58.200 0.201 0.000 1.025 529 S CB 1.948 65.389 63.200 0.402 0.000 1.056 529 S HN 0.793 nan 8.310 nan 0.000 0.494 530 T N 1.484 115.961 114.554 -0.129 0.000 3.032 530 T HA 0.457 4.807 4.350 0.001 0.000 0.312 530 T C -0.806 173.570 174.700 -0.539 0.000 1.078 530 T CA -0.443 61.337 62.100 -0.532 0.000 1.028 530 T CB 0.595 69.452 68.868 -0.018 0.000 1.091 530 T HN 0.707 nan 8.240 nan 0.000 0.457 531 c N 3.325 121.336 118.600 -0.982 0.000 2.470 531 c HA 1.008 5.578 4.570 0.001 0.000 0.341 531 c C -0.478 173.585 174.090 -0.045 0.000 1.190 531 c CA -0.913 55.179 56.329 -0.395 0.000 1.904 531 c CB -0.023 42.342 42.510 -0.243 0.000 2.354 531 c HN 0.957 nan 8.230 nan 0.000 0.509 532 F N -0.648 119.287 119.950 -0.027 0.000 2.789 532 F HA 0.765 5.292 4.527 0.001 0.000 0.319 532 F C -1.066 174.801 175.800 0.112 0.000 1.168 532 F CA -1.148 56.883 58.000 0.052 0.000 0.934 532 F CB 1.275 40.283 39.000 0.014 0.000 1.375 532 F HN 0.540 nan 8.300 nan 0.000 0.480 533 K N 0.894 121.504 120.400 0.350 0.000 2.375 533 K HA 0.725 5.046 4.320 0.001 0.000 0.249 533 K C -2.122 174.673 176.600 0.324 0.000 0.942 533 K CA -0.847 55.579 56.287 0.232 0.000 0.806 533 K CB 2.558 35.128 32.500 0.118 0.000 1.227 533 K HN 0.697 nan 8.250 nan 0.000 0.430 534 V N 5.501 125.546 119.914 0.219 0.000 2.304 534 V HA 0.028 4.148 4.120 0.001 0.000 0.262 534 V C 1.450 177.528 176.094 -0.027 0.000 1.061 534 V CA -0.396 61.895 62.300 -0.016 0.000 0.872 534 V CB 0.661 32.435 31.823 -0.081 0.000 1.077 534 V HN 0.767 nan 8.190 nan 0.000 0.480 535 V N 3.128 123.021 119.914 -0.035 0.000 2.469 535 V HA -0.211 3.909 4.120 0.001 0.000 0.251 535 V C 2.314 178.384 176.094 -0.039 0.000 1.064 535 V CA 2.067 64.358 62.300 -0.016 0.000 1.066 535 V CB -0.613 31.211 31.823 0.001 0.000 0.667 535 V HN 0.717 nan 8.190 nan 0.000 0.461 536 K N 2.090 122.438 120.400 -0.087 0.000 2.097 536 K HA -0.130 4.191 4.320 0.001 0.000 0.206 536 K C 2.012 178.586 176.600 -0.045 0.000 1.049 536 K CA 2.378 58.620 56.287 -0.074 0.000 0.933 536 K CB -0.784 31.645 32.500 -0.117 0.000 0.717 536 K HN 0.811 nan 8.250 nan 0.000 0.442 537 T N -3.644 110.888 114.554 -0.037 0.000 3.010 537 T HA 0.136 4.487 4.350 0.001 0.000 0.257 537 T C 0.375 175.076 174.700 0.001 0.000 1.020 537 T CA 0.346 62.442 62.100 -0.007 0.000 0.938 537 T CB -0.249 68.630 68.868 0.019 0.000 1.049 537 T HN 0.341 nan 8.240 nan 0.000 0.522 538 N N 0.929 119.630 118.700 0.001 0.000 2.747 538 N HA -0.165 4.575 4.740 0.001 0.000 0.249 538 N C -0.890 174.612 175.510 -0.012 0.000 1.107 538 N CA 0.748 53.799 53.050 0.002 0.000 0.707 538 N CB -1.430 37.056 38.487 -0.002 0.000 1.054 538 N HN 0.659 nan 8.380 nan 0.000 0.555 539 K N -0.099 120.303 120.400 0.002 0.000 2.138 539 K HA 0.446 4.766 4.320 0.001 0.000 0.263 539 K C -0.338 176.170 176.600 -0.153 0.000 0.965 539 K CA -0.564 55.661 56.287 -0.105 0.000 0.868 539 K CB 1.333 33.764 32.500 -0.115 0.000 1.083 539 K HN 0.035 nan 8.250 nan 0.000 0.443 540 T N 2.190 116.534 114.554 -0.349 0.000 2.829 540 T HA 0.429 4.780 4.350 0.001 0.000 0.282 540 T C -1.036 173.254 174.700 -0.684 0.000 0.990 540 T CA -0.410 61.482 62.100 -0.348 0.000 1.028 540 T CB 0.262 68.981 68.868 -0.248 0.000 0.951 540 T HN 0.280 nan 8.240 nan 0.000 0.460 541 Y N -0.076 119.868 120.300 -0.592 0.000 2.545 541 Y HA 0.580 5.130 4.550 0.001 0.000 0.348 541 Y C -0.159 175.236 175.900 -0.843 0.000 1.002 541 Y CA -1.135 56.547 58.100 -0.697 0.000 1.039 541 Y CB 1.617 39.613 38.460 -0.773 0.000 1.271 541 Y HN 0.585 nan 8.280 nan 0.000 0.467 542 c N 2.804 121.085 118.600 -0.532 0.000 2.441 542 c HA 0.613 5.183 4.570 0.001 0.000 0.318 542 c C -0.723 173.155 174.090 -0.354 0.000 1.222 542 c CA -0.884 55.063 56.329 -0.637 0.000 1.474 542 c CB 0.833 42.492 42.510 -1.418 0.000 2.125 542 c HN 0.701 nan 8.230 nan 0.000 0.479 543 L N 3.289 124.412 121.223 -0.167 0.000 2.275 543 L HA 0.697 5.037 4.340 0.001 0.000 0.288 543 L C 0.056 176.871 176.870 -0.091 0.000 1.046 543 L CA 0.745 55.520 54.840 -0.107 0.000 0.805 543 L CB 1.343 43.318 42.059 -0.141 0.000 1.193 543 L HN 0.660 nan 8.230 nan 0.000 0.426 544 S N 5.966 121.634 115.700 -0.054 0.000 2.640 544 S HA 0.615 5.085 4.470 0.001 0.000 0.320 544 S C -0.575 173.980 174.600 -0.076 0.000 1.097 544 S CA -0.614 57.607 58.200 0.034 0.000 1.092 544 S CB 0.242 63.540 63.200 0.164 0.000 0.988 544 S HN 0.578 nan 8.310 nan 0.000 0.470 545 I N 4.208 124.745 120.570 -0.055 0.000 2.331 545 I HA 0.605 4.776 4.170 0.001 0.000 0.292 545 I C 0.204 176.342 176.117 0.036 0.000 0.998 545 I CA -0.409 60.855 61.300 -0.059 0.000 1.267 545 I CB 1.427 39.410 38.000 -0.029 0.000 1.386 545 I HN 0.690 nan 8.210 nan 0.000 0.476 546 A N 5.623 128.455 122.820 0.020 0.000 2.422 546 A HA 0.434 4.754 4.320 0.001 0.000 0.302 546 A C -0.646 176.990 177.584 0.087 0.000 1.041 546 A CA -0.606 51.476 52.037 0.076 0.000 0.708 546 A CB 1.366 20.401 19.000 0.060 0.000 1.257 546 A HN 0.736 nan 8.150 nan 0.000 0.414 547 E N 2.867 123.140 120.200 0.122 0.000 2.052 547 E HA 0.486 4.837 4.350 0.001 0.000 0.283 547 E C -0.493 176.248 176.600 0.234 0.000 1.071 547 E CA -0.198 56.273 56.400 0.118 0.000 0.851 547 E CB 0.184 29.902 29.700 0.030 0.000 1.066 547 E HN 0.620 nan 8.360 nan 0.000 0.396 548 I N 0.212 120.967 120.570 0.307 0.000 3.108 548 I HA 0.733 4.904 4.170 0.001 0.000 0.312 548 I C -0.550 175.738 176.117 0.284 0.000 1.095 548 I CA -1.015 60.498 61.300 0.355 0.000 1.000 548 I CB 2.300 40.391 38.000 0.152 0.000 1.229 548 I HN 0.302 nan 8.210 nan 0.000 0.454 549 S N 1.769 117.505 115.700 0.060 0.000 2.547 549 S HA 0.373 4.843 4.470 0.001 0.000 0.270 549 S C -1.681 172.854 174.600 -0.109 0.000 1.150 549 S CA -0.765 57.333 58.200 -0.169 0.000 0.850 549 S CB 1.800 64.589 63.200 -0.685 0.000 1.118 549 S HN 0.881 nan 8.310 nan 0.000 0.461 550 N N 0.905 119.578 118.700 -0.045 0.000 2.466 550 N HA 0.238 4.979 4.740 0.001 0.000 0.294 550 N C 1.479 177.027 175.510 0.064 0.000 1.129 550 N CA 0.364 53.436 53.050 0.036 0.000 0.931 550 N CB 1.766 40.313 38.487 0.100 0.000 1.193 550 N HN 0.830 nan 8.380 nan 0.000 0.500 551 T N 0.454 115.051 114.554 0.071 0.000 2.792 551 T HA -0.209 4.141 4.350 0.001 0.000 0.268 551 T C 1.203 175.916 174.700 0.021 0.000 1.059 551 T CA 1.691 63.811 62.100 0.034 0.000 1.136 551 T CB -0.352 68.542 68.868 0.043 0.000 0.846 551 T HN 0.561 nan 8.240 nan 0.000 0.489 552 L N -4.082 117.187 121.223 0.076 0.000 3.449 552 L HA 0.592 4.933 4.340 0.001 0.000 0.347 552 L C 0.024 176.772 176.870 -0.204 0.000 1.333 552 L CA -0.840 53.957 54.840 -0.072 0.000 0.905 552 L CB -0.640 41.332 42.059 -0.146 0.000 1.348 552 L HN -0.060 nan 8.230 nan 0.000 0.611 553 F N 1.373 121.283 119.950 -0.067 0.000 2.708 553 F HA 0.791 5.319 4.527 0.001 0.000 0.300 553 F C 1.453 177.214 175.800 -0.065 0.000 1.118 553 F CA -0.043 57.922 58.000 -0.058 0.000 1.307 553 F CB 0.700 39.670 39.000 -0.051 0.000 0.986 553 F HN 0.482 nan 8.300 nan 0.000 0.522 554 G N -0.129 108.686 108.800 0.025 0.000 2.422 554 G HA2 -0.093 3.867 3.960 0.001 0.000 0.607 554 G HA3 -0.093 3.867 3.960 0.001 0.000 0.607 554 G C -0.625 174.240 174.900 -0.058 0.000 1.270 554 G CA -1.191 43.901 45.100 -0.012 0.000 0.992 554 G HN -0.087 nan 8.290 nan 0.000 0.499 555 E N -0.793 119.375 120.200 -0.053 0.000 2.620 555 E HA 0.555 4.905 4.350 0.001 0.000 0.255 555 E C 0.387 176.946 176.600 -0.069 0.000 1.346 555 E CA -0.435 55.919 56.400 -0.077 0.000 1.013 555 E CB 0.177 29.877 29.700 -0.000 0.000 1.131 555 E HN 0.288 nan 8.360 nan 0.000 0.608 556 F N 0.786 120.740 119.950 0.007 0.000 2.545 556 F HA 0.071 4.598 4.527 0.001 0.000 0.348 556 F C 1.212 176.999 175.800 -0.022 0.000 1.163 556 F CA 0.675 58.679 58.000 0.007 0.000 1.331 556 F CB 0.410 39.423 39.000 0.022 0.000 1.138 556 F HN 0.225 nan 8.300 nan 0.000 0.602 557 R N 1.964 122.591 120.500 0.211 0.000 2.629 557 R HA 0.611 4.952 4.340 0.001 0.000 0.266 557 R C -1.879 174.456 176.300 0.059 0.000 1.051 557 R CA -0.939 55.201 56.100 0.066 0.000 0.895 557 R CB 1.190 31.503 30.300 0.021 0.000 1.246 557 R HN 0.509 nan 8.270 nan 0.000 0.459 558 I N 2.173 122.741 120.570 -0.002 0.000 2.371 558 I HA 0.287 4.457 4.170 0.001 0.000 0.290 558 I C -0.390 175.709 176.117 -0.029 0.000 1.028 558 I CA -0.894 60.417 61.300 0.019 0.000 1.345 558 I CB 1.688 39.744 38.000 0.093 0.000 1.407 558 I HN 0.272 nan 8.210 nan 0.000 0.501 559 V N 8.298 128.188 119.914 -0.040 0.000 2.588 559 V HA 0.451 4.572 4.120 0.001 0.000 0.304 559 V C -2.339 173.670 176.094 -0.141 0.000 1.042 559 V CA -1.464 60.798 62.300 -0.062 0.000 0.877 559 V CB 2.228 34.054 31.823 0.004 0.000 0.996 559 V HN 0.598 nan 8.190 nan 0.000 0.425 560 P HA 0.592 nan 4.420 nan 0.000 0.298 560 P C -1.475 175.692 177.300 -0.222 0.000 1.314 560 P CA -0.484 62.423 63.100 -0.323 0.000 0.854 560 P CB 2.013 33.377 31.700 -0.561 0.000 1.019 561 L N 3.021 124.106 121.223 -0.231 0.000 2.381 561 L HA 0.570 4.910 4.340 0.001 0.000 0.268 561 L C -0.450 176.327 176.870 -0.155 0.000 0.997 561 L CA -1.165 53.522 54.840 -0.256 0.000 0.818 561 L CB 2.346 44.020 42.059 -0.640 0.000 1.310 561 L HN 0.249 nan 8.230 nan 0.000 0.416 562 L N 2.899 124.105 121.223 -0.029 0.000 2.365 562 L HA 0.823 5.164 4.340 0.001 0.000 0.273 562 L C -1.139 175.839 176.870 0.179 0.000 1.000 562 L CA -0.483 54.400 54.840 0.070 0.000 0.819 562 L CB 2.066 44.204 42.059 0.132 0.000 1.284 562 L HN 0.346 nan 8.230 nan 0.000 0.418 563 V N 4.202 124.193 119.914 0.127 0.000 2.888 563 V HA 0.512 4.632 4.120 0.001 0.000 0.309 563 V C -0.890 175.175 176.094 -0.048 0.000 1.114 563 V CA -0.495 61.881 62.300 0.127 0.000 0.940 563 V CB 2.148 34.092 31.823 0.201 0.000 1.021 563 V HN 0.921 nan 8.190 nan 0.000 0.426 564 E N 4.820 124.951 120.200 -0.116 0.000 2.301 564 E HA 0.376 4.727 4.350 0.001 0.000 0.275 564 E C -0.905 175.463 176.600 -0.386 0.000 1.030 564 E CA -0.779 55.354 56.400 -0.445 0.000 0.852 564 E CB 1.239 30.645 29.700 -0.491 0.000 1.060 564 E HN 0.584 nan 8.360 nan 0.000 0.401 565 I N 5.809 126.119 120.570 -0.434 0.000 2.337 565 I HA 0.160 4.330 4.170 0.001 0.000 0.291 565 I C 0.323 176.254 176.117 -0.309 0.000 1.046 565 I CA -0.032 61.078 61.300 -0.317 0.000 1.324 565 I CB 0.011 37.868 38.000 -0.239 0.000 1.409 565 I HN 0.510 nan 8.210 nan 0.000 0.494 566 L N 5.802 126.734 121.223 -0.485 0.000 2.416 566 L HA 0.558 4.898 4.340 0.001 0.000 0.263 566 L C 0.030 176.676 176.870 -0.374 0.000 1.065 566 L CA -0.940 53.588 54.840 -0.520 0.000 0.798 566 L CB 0.945 42.509 42.059 -0.824 0.000 1.267 566 L HN 0.405 nan 8.230 nan 0.000 0.467 567 K N 1.133 121.396 120.400 -0.227 0.000 2.656 567 K HA 0.211 4.531 4.320 0.001 0.000 0.253 567 K C -1.177 175.370 176.600 -0.089 0.000 1.002 567 K CA -0.387 55.757 56.287 -0.239 0.000 0.880 567 K CB 0.748 33.026 32.500 -0.372 0.000 1.232 567 K HN 0.600 nan 8.250 nan 0.000 0.456 568 N N 3.232 121.942 118.700 0.016 0.000 2.442 568 N HA 0.091 4.831 4.740 0.001 0.000 0.265 568 N C -0.638 174.824 175.510 -0.079 0.000 1.138 568 N CA -0.528 52.521 53.050 -0.000 0.000 0.956 568 N CB 1.204 39.683 38.487 -0.013 0.000 1.067 568 N HN 0.471 nan 8.380 nan 0.000 0.474 569 D N 2.566 122.929 120.400 -0.062 0.000 2.380 569 D HA -0.009 4.632 4.640 0.001 0.000 0.212 569 D C 1.796 178.066 176.300 -0.050 0.000 1.021 569 D CA 0.351 54.312 54.000 -0.065 0.000 0.884 569 D CB 0.017 40.785 40.800 -0.053 0.000 1.001 569 D HN 0.816 nan 8.370 nan 0.000 0.506 570 G N 1.592 110.367 108.800 -0.042 0.000 2.990 570 G HA2 0.009 3.969 3.960 0.001 0.000 0.206 570 G HA3 0.009 3.969 3.960 0.001 0.000 0.206 570 G C 1.656 176.530 174.900 -0.043 0.000 1.169 570 G CA 0.626 45.704 45.100 -0.037 0.000 0.819 570 G HN 0.274 nan 8.290 nan 0.000 0.517 571 V N -2.511 117.371 119.914 -0.053 0.000 2.426 571 V HA 0.488 4.608 4.120 0.001 0.000 0.242 571 V C 0.963 177.029 176.094 -0.047 0.000 1.036 571 V CA 0.711 62.977 62.300 -0.056 0.000 1.044 571 V CB -0.311 31.469 31.823 -0.072 0.000 0.688 571 V HN 0.180 nan 8.190 nan 0.000 0.462 572 R N 0.000 120.472 120.500 -0.046 0.000 2.786 572 R HA 0.000 4.340 4.340 0.001 0.000 0.208 572 R CA 0.000 56.078 56.100 -0.036 0.000 0.921 572 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 572 R HN 0.000 nan 8.270 nan 0.000 0.535