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 2jjd_1_A DATA FIRST_RESID 112 DATA SEQUENCE YFPIPVEHLE EEIRIRSXXX XXXXREEFNS LPSGHIQGTF ELANKEENRE DATA SEQUENCE KNRYPNILPN DHSRVILSQL XGIPCSDYIN ASYIDGYKEK NKFIAAQGPK DATA SEQUENCE QETVNDFWRM VWEQKSATIV MLTNLKERKE EKCHQYWPDQ GcWTYGNIRV DATA SEQUENCE cVEDCVVLVD YTIRKFCIQP XXXXXXKAPR LVSQLHFTSW PDFGVPFTPI DATA SEQUENCE GMLKFLKKVK TLNPVHAGPI VVHCSAGVGR TGTFIVIDAM MAMMHAEQKV DATA SEQUENCE DVFEFVSRIR NQRPQMVQTD MQYTFIYQAL LEYYLYGDTE LDVSSXXXXX DATA SEQUENCE XXXXXXXXXX XXXGLEEEFR KLTNVRIMKE NMRTGNLPAN MKKARVIQII DATA SEQUENCE PYDFNRVILS MXXXXXYTDY INASFIDGYR QKDYFIATQG PLAHTVEDFW DATA SEQUENCE RMIWEWKSHT IVMLTEVQER EQDKCYQYWP TEGSVTHGEI TIEIKNDTLS DATA SEQUENCE EAISIRDFLV TLNXXXXXXG EQVRVVRQFH FHGWPEIGIP AEGKGMIDLI DATA SEQUENCE AAVQKQQQQT GNHPITVHCS AGAGRTGTFI ALSNILERVK AEGLLDVFQA DATA SEQUENCE VKSLRLQRPH MVQTLEQYEF CYKVVQDFID 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 112 Y HA 0.000 nan 4.550 nan 0.000 0.201 112 Y C 0.000 175.870 175.900 -0.050 0.000 1.272 112 Y CA 0.000 57.968 58.100 -0.219 0.000 1.940 112 Y CB 0.000 38.122 38.460 -0.564 0.000 1.050 113 F N 1.282 121.290 119.950 0.096 0.000 2.411 113 F HA 0.911 5.438 4.527 0.001 0.000 0.324 113 F C -2.173 173.709 175.800 0.137 0.000 1.086 113 F CA -3.142 54.920 58.000 0.102 0.000 1.028 113 F CB 0.218 39.245 39.000 0.046 0.000 1.284 113 F HN 0.191 nan 8.300 nan 0.000 0.501 114 P HA 0.378 nan 4.420 nan 0.000 0.268 114 P C -0.666 176.689 177.300 0.093 0.000 1.205 114 P CA 0.334 63.503 63.100 0.114 0.000 0.771 114 P CB 0.518 32.272 31.700 0.089 0.000 0.858 115 I N 4.821 125.448 120.570 0.095 0.000 2.315 115 I HA 0.238 4.409 4.170 0.001 0.000 0.291 115 I C -2.092 174.050 176.117 0.041 0.000 1.006 115 I CA -2.508 58.843 61.300 0.085 0.000 1.265 115 I CB 1.217 39.286 38.000 0.115 0.000 1.387 115 I HN 0.129 nan 8.210 nan 0.000 0.475 116 P HA -0.031 nan 4.420 nan 0.000 0.268 116 P C 1.122 178.364 177.300 -0.097 0.000 1.204 116 P CA -0.266 62.839 63.100 0.008 0.000 0.768 116 P CB 0.762 32.521 31.700 0.098 0.000 0.842 117 V N 0.686 120.455 119.914 -0.242 0.000 2.469 117 V HA -0.268 3.852 4.120 0.001 0.000 0.251 117 V C 2.314 178.126 176.094 -0.469 0.000 1.064 117 V CA 2.225 64.217 62.300 -0.513 0.000 1.066 117 V CB -2.292 29.008 31.823 -0.871 0.000 0.667 117 V HN 0.485 nan 8.190 nan 0.000 0.461 118 E N 0.426 120.431 120.200 -0.325 0.000 2.147 118 E HA -0.305 4.045 4.350 0.001 0.000 0.199 118 E C 1.913 178.269 176.600 -0.408 0.000 1.005 118 E CA 2.165 58.353 56.400 -0.353 0.000 0.810 118 E CB -1.067 28.340 29.700 -0.489 0.000 0.736 118 E HN 0.955 nan 8.360 nan 0.000 0.460 119 H N -1.717 117.313 119.070 -0.068 0.000 2.542 119 H HA 0.277 4.834 4.556 0.001 0.000 0.283 119 H C 1.775 177.078 175.328 -0.041 0.000 1.059 119 H CA 0.295 56.320 56.048 -0.039 0.000 1.162 119 H CB 0.501 30.247 29.762 -0.026 0.000 1.539 119 H HN 0.333 nan 8.280 nan 0.000 0.543 120 L N 1.496 122.714 121.223 -0.009 0.000 2.005 120 L HA -0.102 4.238 4.340 0.001 0.000 0.207 120 L C 2.425 179.310 176.870 0.025 0.000 1.072 120 L CA 1.911 56.748 54.840 -0.005 0.000 0.744 120 L CB -0.343 41.652 42.059 -0.107 0.000 0.895 120 L HN 0.131 nan 8.230 nan 0.000 0.433 121 E N -0.625 119.589 120.200 0.024 0.000 2.097 121 E HA -0.295 4.055 4.350 0.001 0.000 0.196 121 E C 2.066 178.681 176.600 0.025 0.000 1.000 121 E CA 1.987 58.404 56.400 0.028 0.000 0.804 121 E CB -0.080 29.637 29.700 0.030 0.000 0.740 121 E HN 0.682 nan 8.360 nan 0.000 0.454 122 E N 0.130 120.354 120.200 0.040 0.000 2.047 122 E HA -0.191 4.159 4.350 0.001 0.000 0.191 122 E C 1.999 178.609 176.600 0.018 0.000 0.987 122 E CA 1.752 58.174 56.400 0.036 0.000 0.799 122 E CB -1.394 28.344 29.700 0.064 0.000 0.752 122 E HN 0.614 nan 8.360 nan 0.000 0.449 123 E N 0.723 120.936 120.200 0.021 0.000 2.204 123 E HA -0.059 4.291 4.350 0.001 0.000 0.195 123 E C 2.058 178.627 176.600 -0.051 0.000 0.990 123 E CA 1.195 57.590 56.400 -0.008 0.000 0.821 123 E CB -0.528 29.177 29.700 0.009 0.000 0.750 123 E HN 0.553 nan 8.360 nan 0.000 0.477 124 I N 0.757 121.298 120.570 -0.048 0.000 2.179 124 I HA -0.210 3.961 4.170 0.001 0.000 0.242 124 I C 3.196 179.283 176.117 -0.049 0.000 1.088 124 I CA 1.810 63.063 61.300 -0.078 0.000 1.357 124 I CB -1.539 36.442 38.000 -0.032 0.000 1.051 124 I HN 0.524 nan 8.210 nan 0.000 0.409 125 R N 1.273 121.760 120.500 -0.021 0.000 2.083 125 R HA -0.142 4.199 4.340 0.001 0.000 0.237 125 R C 2.158 178.450 176.300 -0.014 0.000 1.137 125 R CA 1.826 57.920 56.100 -0.010 0.000 0.951 125 R CB -1.698 28.603 30.300 0.001 0.000 0.851 125 R HN 0.430 nan 8.270 nan 0.000 0.434 126 I N 0.514 121.074 120.570 -0.016 0.000 2.264 126 I HA -0.216 3.954 4.170 0.001 0.000 0.248 126 I C 1.680 177.787 176.117 -0.016 0.000 1.111 126 I CA 1.274 62.566 61.300 -0.014 0.000 1.382 126 I CB -0.146 37.845 38.000 -0.016 0.000 1.060 126 I HN 0.283 nan 8.210 nan 0.000 0.418 127 R N 1.147 121.627 120.500 -0.033 0.000 3.732 127 R HA 0.181 4.521 4.340 0.001 0.000 0.258 127 R C -0.567 175.720 176.300 -0.022 0.000 1.661 127 R CA -0.051 56.030 56.100 -0.031 0.000 1.424 127 R CB -0.214 30.042 30.300 -0.073 0.000 1.308 127 R HN 0.317 nan 8.270 nan 0.000 0.634 137 E N 1.340 121.604 120.200 0.108 0.000 2.072 137 E HA -0.132 4.219 4.350 0.001 0.000 0.191 137 E C 1.713 178.379 176.600 0.111 0.000 0.985 137 E CA 1.793 58.257 56.400 0.108 0.000 0.801 137 E CB -0.440 29.326 29.700 0.110 0.000 0.750 137 E HN 0.808 nan 8.360 nan 0.000 0.452 138 E N -1.203 119.049 120.200 0.087 0.000 2.058 138 E HA -0.155 4.196 4.350 0.001 0.000 0.194 138 E C 1.978 178.481 176.600 -0.161 0.000 0.997 138 E CA 1.394 57.696 56.400 -0.163 0.000 0.801 138 E CB -0.340 29.201 29.700 -0.265 0.000 0.746 138 E HN 0.540 nan 8.360 nan 0.000 0.450 139 F N 2.086 121.808 119.950 -0.379 0.000 2.161 139 F HA -0.159 4.369 4.527 0.001 0.000 0.300 139 F C 1.677 177.345 175.800 -0.220 0.000 1.089 139 F CA 1.497 59.172 58.000 -0.541 0.000 1.282 139 F CB -0.215 38.518 39.000 -0.445 0.000 1.010 139 F HN 0.049 nan 8.300 nan 0.000 0.485 140 N N -0.269 118.343 118.700 -0.147 0.000 2.521 140 N HA -0.047 4.693 4.740 0.001 0.000 0.188 140 N C 1.417 176.860 175.510 -0.110 0.000 1.146 140 N CA 0.961 53.908 53.050 -0.171 0.000 0.893 140 N CB -0.155 38.326 38.487 -0.009 0.000 0.975 140 N HN 0.214 nan 8.380 nan 0.000 0.451 141 S N -0.099 115.586 115.700 -0.024 0.000 2.535 141 S HA 0.240 4.710 4.470 0.001 0.000 0.214 141 S C 0.787 175.476 174.600 0.148 0.000 0.980 141 S CA -0.325 57.948 58.200 0.122 0.000 0.907 141 S CB 0.615 63.974 63.200 0.265 0.000 0.790 141 S HN 0.195 nan 8.310 nan 0.000 0.510 142 L N 3.019 124.195 121.223 -0.077 0.000 2.461 142 L HA 0.202 4.542 4.340 0.001 0.000 0.272 142 L C -2.302 174.439 176.870 -0.215 0.000 1.197 142 L CA -1.621 53.045 54.840 -0.290 0.000 0.836 142 L CB -0.221 41.559 42.059 -0.464 0.000 1.105 142 L HN -0.011 nan 8.230 nan 0.000 0.477 143 P HA 0.159 nan 4.420 nan 0.000 0.276 143 P C -0.500 176.715 177.300 -0.141 0.000 1.243 143 P CA -0.251 62.774 63.100 -0.125 0.000 0.768 143 P CB 0.707 32.346 31.700 -0.101 0.000 0.856 144 S N 2.637 118.281 115.700 -0.093 0.000 2.466 144 S HA 0.330 4.800 4.470 0.001 0.000 0.286 144 S C 1.331 175.875 174.600 -0.093 0.000 1.221 144 S CA -0.200 57.962 58.200 -0.062 0.000 1.091 144 S CB -0.560 62.691 63.200 0.085 0.000 0.956 144 S HN 0.579 nan 8.310 nan 0.000 0.501 145 G N 2.006 110.679 108.800 -0.213 0.000 3.100 145 G HA2 0.161 4.122 3.960 0.001 0.000 0.246 145 G HA3 0.161 4.122 3.960 0.001 0.000 0.246 145 G C 0.667 175.478 174.900 -0.148 0.000 0.898 145 G CA 0.014 45.009 45.100 -0.176 0.000 1.934 145 G HN 0.896 nan 8.290 nan 0.000 0.600 146 H N -0.148 118.983 119.070 0.102 0.000 2.885 146 H HA 0.143 4.700 4.556 0.001 0.000 0.260 146 H C 1.825 177.246 175.328 0.156 0.000 0.985 146 H CA 0.040 56.185 56.048 0.161 0.000 1.210 146 H CB 0.730 30.497 29.762 0.008 0.000 1.466 146 H HN 0.483 nan 8.280 nan 0.000 0.493 147 I N 0.332 121.010 120.570 0.180 0.000 3.035 147 I HA -0.069 4.102 4.170 0.001 0.000 0.271 147 I C 0.791 176.956 176.117 0.080 0.000 1.190 147 I CA 0.611 61.980 61.300 0.115 0.000 1.472 147 I CB 0.416 38.456 38.000 0.067 0.000 1.116 147 I HN -0.152 nan 8.210 nan 0.000 0.443 148 Q N 1.218 121.049 119.800 0.052 0.000 2.626 148 Q HA 0.740 5.080 4.340 0.001 0.000 0.239 148 Q C 0.044 176.034 176.000 -0.017 0.000 1.101 148 Q CA -0.266 55.539 55.803 0.003 0.000 0.918 148 Q CB 0.844 29.563 28.738 -0.033 0.000 1.151 148 Q HN 0.526 nan 8.270 nan 0.000 0.531 149 G N -0.064 108.738 108.800 0.004 0.000 2.547 149 G HA2 0.582 4.543 3.960 0.001 0.000 0.291 149 G HA3 0.582 4.543 3.960 0.001 0.000 0.291 149 G C -1.086 173.733 174.900 -0.135 0.000 1.471 149 G CA -0.422 44.604 45.100 -0.124 0.000 0.798 149 G HN 0.255 nan 8.290 nan 0.000 0.504 150 T N 0.224 114.498 114.554 -0.466 0.000 3.032 150 T HA 0.511 4.862 4.350 0.001 0.000 0.312 150 T C -1.049 173.364 174.700 -0.478 0.000 1.078 150 T CA -0.204 61.757 62.100 -0.231 0.000 1.028 150 T CB 0.893 69.703 68.868 -0.097 0.000 1.091 150 T HN 0.377 nan 8.240 nan 0.000 0.457 151 F N 0.935 120.917 119.950 0.053 0.000 2.814 151 F HA 0.365 4.893 4.527 0.001 0.000 0.326 151 F C 1.784 177.600 175.800 0.026 0.000 1.159 151 F CA -0.594 57.439 58.000 0.055 0.000 1.234 151 F CB 0.379 39.419 39.000 0.066 0.000 1.016 151 F HN 0.567 nan 8.300 nan 0.000 0.510 152 E N 0.865 121.140 120.200 0.124 0.000 2.049 152 E HA -0.217 4.134 4.350 0.001 0.000 0.198 152 E C 1.966 178.583 176.600 0.029 0.000 1.007 152 E CA 1.642 58.083 56.400 0.068 0.000 0.809 152 E CB -0.032 29.691 29.700 0.039 0.000 0.749 152 E HN 0.449 nan 8.360 nan 0.000 0.450 153 L N 0.175 121.411 121.223 0.022 0.000 2.141 153 L HA -0.127 4.213 4.340 0.001 0.000 0.209 153 L C 2.410 179.169 176.870 -0.184 0.000 1.094 153 L CA 1.256 56.075 54.840 -0.035 0.000 0.763 153 L CB -0.240 41.845 42.059 0.043 0.000 0.908 153 L HN 0.170 nan 8.230 nan 0.000 0.437 154 A N -0.425 122.356 122.820 -0.066 0.000 1.969 154 A HA -0.157 4.164 4.320 0.001 0.000 0.218 154 A C 1.787 179.268 177.584 -0.173 0.000 1.169 154 A CA 1.775 53.720 52.037 -0.154 0.000 0.635 154 A CB -0.527 18.604 19.000 0.217 0.000 0.810 154 A HN 0.495 nan 8.150 nan 0.000 0.445 155 N N -0.299 118.362 118.700 -0.065 0.000 2.336 155 N HA 0.095 4.835 4.740 0.001 0.000 0.189 155 N C -0.125 175.337 175.510 -0.080 0.000 1.113 155 N CA 0.035 53.053 53.050 -0.053 0.000 0.858 155 N CB 0.160 38.646 38.487 -0.001 0.000 0.970 155 N HN 0.361 nan 8.380 nan 0.000 0.471 156 K N 1.003 121.330 120.400 -0.122 0.000 2.527 156 K HA -0.054 4.266 4.320 0.001 0.000 0.278 156 K C 1.497 178.041 176.600 -0.093 0.000 0.981 156 K CA 0.499 56.726 56.287 -0.101 0.000 1.009 156 K CB 0.444 32.871 32.500 -0.121 0.000 0.895 156 K HN 0.315 nan 8.250 nan 0.000 0.493 157 E N 2.954 123.118 120.200 -0.059 0.000 2.065 157 E HA -0.307 4.043 4.350 0.001 0.000 0.201 157 E C 2.217 178.786 176.600 -0.052 0.000 1.016 157 E CA 2.365 58.737 56.400 -0.047 0.000 0.818 157 E CB -1.196 28.485 29.700 -0.032 0.000 0.749 157 E HN 0.788 nan 8.360 nan 0.000 0.453 158 E N 1.277 121.447 120.200 -0.051 0.000 2.114 158 E HA -0.279 4.071 4.350 0.001 0.000 0.199 158 E C 1.953 178.520 176.600 -0.055 0.000 1.008 158 E CA 1.723 58.098 56.400 -0.042 0.000 0.810 158 E CB -0.843 28.837 29.700 -0.033 0.000 0.739 158 E HN 0.585 nan 8.360 nan 0.000 0.456 159 N N -0.812 117.818 118.700 -0.117 0.000 2.398 159 N HA 0.065 4.805 4.740 0.001 0.000 0.188 159 N C 2.002 177.445 175.510 -0.110 0.000 1.122 159 N CA 0.999 53.947 53.050 -0.171 0.000 0.866 159 N CB 0.031 38.199 38.487 -0.531 0.000 0.970 159 N HN 0.589 nan 8.380 nan 0.000 0.462 160 R N 1.322 121.775 120.500 -0.078 0.000 2.083 160 R HA -0.116 4.224 4.340 0.001 0.000 0.237 160 R C 2.084 178.372 176.300 -0.020 0.000 1.137 160 R CA 2.088 58.161 56.100 -0.046 0.000 0.951 160 R CB -1.905 28.372 30.300 -0.039 0.000 0.851 160 R HN 0.509 nan 8.270 nan 0.000 0.434 161 E N 1.560 121.749 120.200 -0.017 0.000 2.478 161 E HA -0.070 4.281 4.350 0.001 0.000 0.198 161 E C 1.910 178.509 176.600 -0.003 0.000 1.046 161 E CA 1.226 57.617 56.400 -0.016 0.000 0.870 161 E CB -0.431 29.259 29.700 -0.017 0.000 0.818 161 E HN 0.818 nan 8.360 nan 0.000 0.527 162 K N 0.194 120.616 120.400 0.037 0.000 2.379 162 K HA 0.104 4.424 4.320 0.001 0.000 0.194 162 K C -0.013 176.641 176.600 0.090 0.000 1.031 162 K CA -0.160 56.177 56.287 0.083 0.000 1.037 162 K CB 0.418 33.038 32.500 0.200 0.000 0.824 162 K HN 0.138 nan 8.250 nan 0.000 0.516 163 N N 1.295 120.040 118.700 0.074 0.000 2.430 163 N HA 0.108 4.848 4.740 0.001 0.000 0.292 163 N C 0.286 175.773 175.510 -0.039 0.000 1.051 163 N CA -0.103 52.983 53.050 0.062 0.000 0.917 163 N CB 1.891 40.439 38.487 0.103 0.000 1.164 163 N HN 0.019 nan 8.380 nan 0.000 0.484 164 R N 1.746 122.186 120.500 -0.099 0.000 2.062 164 R HA 0.032 4.372 4.340 0.001 0.000 0.226 164 R C -0.309 175.699 176.300 -0.487 0.000 1.125 164 R CA 1.177 57.082 56.100 -0.326 0.000 0.966 164 R CB 0.198 30.250 30.300 -0.413 0.000 0.861 164 R HN 0.516 nan 8.270 nan 0.000 0.433 165 Y N 0.160 120.463 120.300 0.005 0.000 2.328 165 Y HA 0.331 4.881 4.550 0.001 0.000 0.336 165 Y C -1.707 174.200 175.900 0.011 0.000 0.960 165 Y CA -2.820 55.283 58.100 0.004 0.000 1.134 165 Y CB 1.973 40.434 38.460 0.002 0.000 1.166 165 Y HN 0.093 nan 8.280 nan 0.000 0.464 166 P HA -0.037 nan 4.420 nan 0.000 0.236 166 P C 0.182 177.513 177.300 0.051 0.000 1.177 166 P CA 1.047 64.187 63.100 0.066 0.000 0.773 166 P CB 0.613 32.330 31.700 0.028 0.000 0.878 167 N N 0.015 118.755 118.700 0.067 0.000 2.392 167 N HA 0.093 4.833 4.740 0.001 0.000 0.177 167 N C 0.675 176.215 175.510 0.050 0.000 1.066 167 N CA 0.388 53.448 53.050 0.016 0.000 0.895 167 N CB 0.485 38.972 38.487 -0.001 0.000 0.988 167 N HN 0.291 nan 8.380 nan 0.000 0.457 168 I N 2.202 122.832 120.570 0.101 0.000 2.361 168 I HA 0.287 4.457 4.170 0.001 0.000 0.282 168 I C -0.721 175.483 176.117 0.145 0.000 1.075 168 I CA -0.133 61.233 61.300 0.110 0.000 1.205 168 I CB 0.481 38.531 38.000 0.084 0.000 1.406 168 I HN -0.275 nan 8.210 nan 0.000 0.481 169 L N 7.348 128.676 121.223 0.174 0.000 2.388 169 L HA 0.631 4.972 4.340 0.001 0.000 0.264 169 L C -2.478 174.592 176.870 0.333 0.000 0.998 169 L CA -1.983 53.007 54.840 0.249 0.000 0.817 169 L CB 2.539 44.755 42.059 0.261 0.000 1.338 169 L HN 0.242 nan 8.230 nan 0.000 0.414 170 P HA 0.129 nan 4.420 nan 0.000 0.279 170 P C -1.256 176.143 177.300 0.165 0.000 1.239 170 P CA -0.478 62.735 63.100 0.187 0.000 0.789 170 P CB 0.661 32.413 31.700 0.086 0.000 0.933 171 N N 1.460 120.109 118.700 -0.085 0.000 2.399 171 N HA -0.013 4.728 4.740 0.001 0.000 0.250 171 N C 0.343 175.722 175.510 -0.218 0.000 1.272 171 N CA 0.113 52.828 53.050 -0.558 0.000 0.928 171 N CB -0.222 37.857 38.487 -0.681 0.000 1.158 171 N HN 0.181 nan 8.380 nan 0.000 0.463 172 D N -1.434 118.830 120.400 -0.226 0.000 2.224 172 D HA -0.120 4.520 4.640 0.001 0.000 0.205 172 D C 1.330 177.626 176.300 -0.006 0.000 0.965 172 D CA 1.223 55.188 54.000 -0.059 0.000 0.852 172 D CB -0.317 40.457 40.800 -0.044 0.000 0.947 172 D HN 0.792 nan 8.370 nan 0.000 0.494 173 H N -0.269 118.743 119.070 -0.097 0.000 2.372 173 H HA 0.122 4.678 4.556 0.001 0.000 0.301 173 H C 1.166 176.495 175.328 0.002 0.000 1.065 173 H CA 1.556 57.575 56.048 -0.049 0.000 1.364 173 H CB 0.317 30.039 29.762 -0.067 0.000 1.406 173 H HN -0.102 nan 8.280 nan 0.000 0.521 174 S N 0.611 116.360 115.700 0.081 0.000 2.572 174 S HA 0.143 4.614 4.470 0.001 0.000 0.228 174 S C 0.620 175.264 174.600 0.074 0.000 0.963 174 S CA -0.475 57.792 58.200 0.111 0.000 0.939 174 S CB 0.167 63.453 63.200 0.142 0.000 0.804 174 S HN 0.276 nan 8.310 nan 0.000 0.480 175 R N 2.240 122.745 120.500 0.008 0.000 2.585 175 R HA 0.089 4.429 4.340 0.001 0.000 0.275 175 R C -0.588 175.643 176.300 -0.115 0.000 1.018 175 R CA 0.211 56.280 56.100 -0.052 0.000 1.072 175 R CB 0.276 30.576 30.300 0.000 0.000 0.953 175 R HN 0.050 nan 8.270 nan 0.000 0.419 176 V N 7.105 126.833 119.914 -0.311 0.000 2.521 176 V HA 0.076 4.196 4.120 0.001 0.000 0.286 176 V C 0.594 176.585 176.094 -0.173 0.000 1.034 176 V CA 0.150 62.213 62.300 -0.395 0.000 1.045 176 V CB 0.706 32.216 31.823 -0.522 0.000 0.974 176 V HN 0.548 nan 8.190 nan 0.000 0.480 177 I N 4.775 125.313 120.570 -0.054 0.000 2.355 177 I HA 0.524 4.694 4.170 0.001 0.000 0.288 177 I C -0.303 175.814 176.117 -0.000 0.000 0.999 177 I CA -0.614 60.680 61.300 -0.010 0.000 1.163 177 I CB 1.083 39.101 38.000 0.030 0.000 1.316 177 I HN 0.313 nan 8.210 nan 0.000 0.454 178 L N 4.405 125.623 121.223 -0.008 0.000 2.436 178 L HA 0.407 4.747 4.340 0.001 0.000 0.265 178 L C 1.346 178.237 176.870 0.035 0.000 1.168 178 L CA -0.018 54.829 54.840 0.012 0.000 0.815 178 L CB 0.811 42.875 42.059 0.009 0.000 1.109 178 L HN 0.882 nan 8.230 nan 0.000 0.462 179 S N 0.897 116.625 115.700 0.047 0.000 2.560 179 S HA 0.377 4.847 4.470 0.001 0.000 0.284 179 S C 0.452 175.080 174.600 0.048 0.000 1.327 179 S CA -0.087 58.143 58.200 0.049 0.000 1.055 179 S CB 0.196 63.432 63.200 0.061 0.000 0.868 179 S HN 0.625 nan 8.310 nan 0.000 0.506 180 Q N 0.581 120.407 119.800 0.042 0.000 2.257 180 Q HA 0.542 4.883 4.340 0.001 0.000 0.273 180 Q C 0.135 176.158 176.000 0.038 0.000 1.153 180 Q CA 0.304 56.131 55.803 0.040 0.000 0.922 180 Q CB -1.236 27.522 28.738 0.033 0.000 1.242 180 Q HN 1.996 nan 8.270 nan 0.000 0.409 184 I N 1.786 122.367 120.570 0.020 0.000 2.342 184 I HA 0.809 4.979 4.170 0.001 0.000 0.291 184 I C -1.532 174.598 176.117 0.022 0.000 1.010 184 I CA -2.577 58.735 61.300 0.020 0.000 1.308 184 I CB 0.377 38.392 38.000 0.024 0.000 1.400 184 I HN 0.067 nan 8.210 nan 0.000 0.488 185 P HA 0.334 nan 4.420 nan 0.000 0.271 185 P C 0.699 178.012 177.300 0.021 0.000 1.218 185 P CA 1.044 64.154 63.100 0.016 0.000 0.780 185 P CB 0.644 32.349 31.700 0.009 0.000 0.901 186 C N 0.588 119.902 119.300 0.022 0.000 4.356 186 C HA -0.091 4.369 4.460 0.001 0.000 0.296 186 C C 1.824 176.850 174.990 0.059 0.000 1.424 186 C CA 1.114 60.150 59.018 0.029 0.000 2.000 186 C CB -3.056 24.686 27.740 0.003 0.000 1.262 186 C HN 0.740 nan 8.230 nan 0.000 0.789 187 S N -0.629 115.105 115.700 0.058 0.000 2.603 187 S HA 0.249 4.719 4.470 0.001 0.000 0.220 187 S C 1.669 176.317 174.600 0.079 0.000 0.967 187 S CA 1.376 59.617 58.200 0.067 0.000 0.920 187 S CB -0.155 63.075 63.200 0.050 0.000 0.773 187 S HN 0.833 nan 8.310 nan 0.000 0.529 188 D N -0.305 120.150 120.400 0.092 0.000 2.224 188 D HA -0.041 4.600 4.640 0.001 0.000 0.205 188 D C 0.104 176.474 176.300 0.118 0.000 0.965 188 D CA 0.449 54.504 54.000 0.093 0.000 0.852 188 D CB -0.020 40.835 40.800 0.091 0.000 0.947 188 D HN 0.571 nan 8.370 nan 0.000 0.494 189 Y N 0.396 120.699 120.300 0.005 0.000 2.361 189 Y HA 0.520 5.071 4.550 0.001 0.000 0.332 189 Y C -0.771 175.126 175.900 -0.006 0.000 1.101 189 Y CA -0.874 57.226 58.100 -0.001 0.000 1.137 189 Y CB 0.931 39.394 38.460 0.004 0.000 1.207 189 Y HN -0.143 nan 8.280 nan 0.000 0.463 190 I N 5.150 125.238 120.570 -0.804 0.000 2.827 190 I HA 0.274 4.445 4.170 0.001 0.000 0.298 190 I C -1.370 174.166 176.117 -0.969 0.000 1.235 190 I CA -0.907 59.970 61.300 -0.705 0.000 1.021 190 I CB 1.835 39.648 38.000 -0.312 0.000 1.259 190 I HN 0.685 nan 8.210 nan 0.000 0.427 191 N N 5.854 124.199 118.700 -0.593 0.000 2.739 191 N HA 0.504 5.245 4.740 0.001 0.000 0.266 191 N C -1.177 174.215 175.510 -0.197 0.000 1.168 191 N CA 0.261 53.123 53.050 -0.312 0.000 1.055 191 N CB 0.141 38.587 38.487 -0.068 0.000 1.393 191 N HN 0.661 nan 8.380 nan 0.000 0.514 192 A N 1.145 123.826 122.820 -0.232 0.000 2.604 192 A HA 0.697 5.017 4.320 0.001 0.000 0.295 192 A C -1.131 176.328 177.584 -0.209 0.000 1.067 192 A CA -0.652 51.274 52.037 -0.184 0.000 0.683 192 A CB 1.022 19.895 19.000 -0.212 0.000 1.281 192 A HN 0.386 nan 8.150 nan 0.000 0.407 193 S N -0.016 115.579 115.700 -0.175 0.000 2.546 193 S HA 0.689 5.159 4.470 0.001 0.000 0.274 193 S C -1.239 173.273 174.600 -0.148 0.000 1.121 193 S CA -0.652 57.442 58.200 -0.177 0.000 0.887 193 S CB 0.685 63.853 63.200 -0.055 0.000 1.094 193 S HN 0.545 nan 8.310 nan 0.000 0.474 194 Y N 1.406 121.707 120.300 0.000 0.000 2.511 194 Y HA 0.423 4.973 4.550 0.001 0.000 0.332 194 Y C 0.473 176.401 175.900 0.047 0.000 1.177 194 Y CA -0.246 57.868 58.100 0.024 0.000 1.422 194 Y CB 0.231 38.692 38.460 0.001 0.000 1.271 194 Y HN 0.462 nan 8.280 nan 0.000 0.550 195 I N 3.765 124.493 120.570 0.265 0.000 2.533 195 I HA 0.202 4.373 4.170 0.001 0.000 0.290 195 I C -0.886 175.403 176.117 0.286 0.000 1.056 195 I CA -1.051 60.375 61.300 0.210 0.000 1.057 195 I CB 1.972 40.076 38.000 0.173 0.000 1.240 195 I HN 0.514 nan 8.210 nan 0.000 0.423 196 D N 3.870 124.392 120.400 0.203 0.000 2.344 196 D HA 0.420 5.060 4.640 0.001 0.000 0.244 196 D C 0.392 176.945 176.300 0.421 0.000 1.134 196 D CA 0.081 54.218 54.000 0.227 0.000 0.930 196 D CB 1.540 42.419 40.800 0.131 0.000 1.175 196 D HN 0.693 nan 8.370 nan 0.000 0.437 197 G N -0.750 108.271 108.800 0.369 0.000 2.642 197 G HA2 0.291 4.251 3.960 0.001 0.000 0.291 197 G HA3 0.291 4.251 3.960 0.001 0.000 0.291 197 G C -1.095 174.015 174.900 0.350 0.000 1.345 197 G CA -0.638 44.731 45.100 0.449 0.000 1.043 197 G HN 0.418 nan 8.290 nan 0.000 0.528 198 Y N 0.748 121.100 120.300 0.087 0.000 2.569 198 Y HA 0.319 4.870 4.550 0.001 0.000 0.332 198 Y C 1.183 177.106 175.900 0.039 0.000 1.120 198 Y CA 0.782 58.889 58.100 0.012 0.000 1.416 198 Y CB -0.195 38.193 38.460 -0.120 0.000 1.210 198 Y HN 1.094 nan 8.280 nan 0.000 0.528 199 K N 3.712 123.856 120.400 -0.426 0.000 3.177 199 K HA -0.278 4.043 4.320 0.001 0.000 0.266 199 K C -0.252 176.282 176.600 -0.109 0.000 0.937 199 K CA 1.585 57.681 56.287 -0.318 0.000 0.702 199 K CB -2.118 30.104 32.500 -0.464 0.000 1.365 199 K HN 0.883 nan 8.250 nan 0.000 0.466 200 E N -1.252 118.927 120.200 -0.036 0.000 2.466 200 E HA 0.478 4.829 4.350 0.001 0.000 0.308 200 E C -0.105 176.494 176.600 -0.003 0.000 0.933 200 E CA 0.149 56.534 56.400 -0.025 0.000 0.800 200 E CB 0.849 30.531 29.700 -0.030 0.000 1.434 200 E HN 0.800 nan 8.360 nan 0.000 0.389 201 K N 2.864 123.250 120.400 -0.023 0.000 2.484 201 K HA 0.070 4.391 4.320 0.001 0.000 0.280 201 K C 0.374 176.952 176.600 -0.038 0.000 1.013 201 K CA 0.599 56.872 56.287 -0.023 0.000 1.029 201 K CB -0.359 32.111 32.500 -0.051 0.000 0.902 201 K HN 0.736 nan 8.250 nan 0.000 0.481 202 N N -0.580 118.121 118.700 0.001 0.000 2.740 202 N HA -0.203 4.538 4.740 0.001 0.000 0.248 202 N C 1.173 176.687 175.510 0.008 0.000 1.062 202 N CA 1.582 54.644 53.050 0.021 0.000 0.704 202 N CB -1.898 36.498 38.487 -0.153 0.000 0.968 202 N HN 0.986 nan 8.380 nan 0.000 0.547 203 K N -0.927 119.455 120.400 -0.029 0.000 2.148 203 K HA 0.109 4.429 4.320 0.001 0.000 0.204 203 K C 0.587 176.916 176.600 -0.452 0.000 1.050 203 K CA 1.501 57.605 56.287 -0.304 0.000 0.942 203 K CB -0.210 32.006 32.500 -0.474 0.000 0.724 203 K HN 0.367 nan 8.250 nan 0.000 0.446 204 F N -1.630 118.386 119.950 0.111 0.000 2.611 204 F HA 0.630 5.157 4.527 0.001 0.000 0.324 204 F C -0.025 175.835 175.800 0.100 0.000 1.061 204 F CA -1.530 56.533 58.000 0.105 0.000 0.954 204 F CB 1.995 41.070 39.000 0.124 0.000 1.301 204 F HN -0.166 nan 8.300 nan 0.000 0.482 205 I N 1.743 122.464 120.570 0.251 0.000 2.410 205 I HA 0.460 4.630 4.170 0.001 0.000 0.286 205 I C -0.633 175.531 176.117 0.079 0.000 1.009 205 I CA -0.802 60.545 61.300 0.078 0.000 1.111 205 I CB 1.546 39.510 38.000 -0.060 0.000 1.262 205 I HN 0.672 nan 8.210 nan 0.000 0.443 206 A N 6.022 128.868 122.820 0.043 0.000 2.343 206 A HA 0.784 5.104 4.320 0.001 0.000 0.305 206 A C -0.001 177.577 177.584 -0.010 0.000 1.308 206 A CA -0.219 51.828 52.037 0.017 0.000 0.949 206 A CB 0.197 19.199 19.000 0.003 0.000 1.148 206 A HN 0.757 nan 8.150 nan 0.000 0.545 207 A N 2.781 125.612 122.820 0.018 0.000 2.374 207 A HA 0.656 4.976 4.320 0.001 0.000 0.317 207 A C -0.031 177.563 177.584 0.016 0.000 1.094 207 A CA -0.726 51.314 52.037 0.005 0.000 0.765 207 A CB 0.713 19.742 19.000 0.047 0.000 1.268 207 A HN 1.010 nan 8.150 nan 0.000 0.438 208 Q N 1.380 121.165 119.800 -0.025 0.000 2.352 208 Q HA 0.460 4.800 4.340 0.001 0.000 0.260 208 Q C 0.409 176.315 176.000 -0.157 0.000 0.976 208 Q CA -0.034 55.751 55.803 -0.030 0.000 0.881 208 Q CB 0.787 29.522 28.738 -0.005 0.000 1.235 208 Q HN 0.883 nan 8.270 nan 0.000 0.419 209 G N 3.880 112.596 108.800 -0.141 0.000 2.313 209 G HA2 0.228 4.188 3.960 0.001 0.000 0.250 209 G HA3 0.228 4.188 3.960 0.001 0.000 0.250 209 G C -2.211 172.440 174.900 -0.414 0.000 1.281 209 G CA -0.899 43.975 45.100 -0.377 0.000 0.917 209 G HN 0.645 nan 8.290 nan 0.000 0.501 210 P HA 0.183 nan 4.420 nan 0.000 0.272 210 P C -0.330 176.819 177.300 -0.251 0.000 1.223 210 P CA -0.089 62.710 63.100 -0.503 0.000 0.784 210 P CB 1.135 32.352 31.700 -0.806 0.000 0.923 211 K N -0.638 119.647 120.400 -0.192 0.000 2.295 211 K HA 0.509 4.829 4.320 0.001 0.000 0.239 211 K C 1.525 177.935 176.600 -0.316 0.000 0.991 211 K CA -0.842 55.337 56.287 -0.179 0.000 0.845 211 K CB -0.055 32.355 32.500 -0.151 0.000 1.197 211 K HN 0.229 nan 8.250 nan 0.000 0.441 212 Q N 1.437 120.871 119.800 -0.610 0.000 2.124 212 Q HA -0.290 4.050 4.340 0.001 0.000 0.215 212 Q C 1.667 177.509 176.000 -0.264 0.000 1.015 212 Q CA 2.961 58.345 55.803 -0.699 0.000 0.890 212 Q CB -1.366 27.067 28.738 -0.508 0.000 0.966 212 Q HN 0.822 nan 8.270 nan 0.000 0.412 213 E N 0.011 120.108 120.200 -0.171 0.000 2.418 213 E HA 0.005 4.355 4.350 0.001 0.000 0.197 213 E C 1.735 178.314 176.600 -0.035 0.000 1.026 213 E CA 1.354 57.709 56.400 -0.075 0.000 0.862 213 E CB 0.211 29.876 29.700 -0.059 0.000 0.799 213 E HN 0.868 nan 8.360 nan 0.000 0.518 214 T N -3.754 110.765 114.554 -0.059 0.000 3.145 214 T HA 0.205 4.555 4.350 0.001 0.000 0.281 214 T C 1.489 176.187 174.700 -0.004 0.000 1.003 214 T CA -0.274 61.812 62.100 -0.023 0.000 0.901 214 T CB 0.052 68.891 68.868 -0.047 0.000 1.112 214 T HN -0.072 nan 8.240 nan 0.000 0.535 215 V N 2.712 122.630 119.914 0.008 0.000 2.407 215 V HA -0.174 3.946 4.120 0.001 0.000 0.248 215 V C 2.589 178.820 176.094 0.229 0.000 1.055 215 V CA 1.993 64.336 62.300 0.071 0.000 1.049 215 V CB -0.662 31.267 31.823 0.178 0.000 0.662 215 V HN 0.642 nan 8.190 nan 0.000 0.455 216 N N 0.325 119.183 118.700 0.263 0.000 2.142 216 N HA -0.160 4.580 4.740 0.001 0.000 0.186 216 N C 1.406 177.057 175.510 0.236 0.000 1.023 216 N CA 1.558 54.801 53.050 0.321 0.000 0.852 216 N CB -0.195 38.443 38.487 0.251 0.000 0.998 216 N HN 0.520 nan 8.380 nan 0.000 0.424 217 D N 0.864 121.351 120.400 0.146 0.000 2.178 217 D HA -0.148 4.492 4.640 0.001 0.000 0.201 217 D C 1.545 177.879 176.300 0.057 0.000 0.980 217 D CA 0.558 54.611 54.000 0.088 0.000 0.842 217 D CB -0.543 40.285 40.800 0.048 0.000 0.948 217 D HN 0.218 nan 8.370 nan 0.000 0.472 218 F N -0.141 119.734 119.950 -0.126 0.000 2.102 218 F HA -0.107 4.420 4.527 0.001 0.000 0.298 218 F C 1.870 177.517 175.800 -0.255 0.000 1.105 218 F CA 1.293 59.112 58.000 -0.302 0.000 1.239 218 F CB -0.421 38.252 39.000 -0.547 0.000 0.991 218 F HN -0.069 nan 8.300 nan 0.000 0.474 219 W N 0.349 121.627 121.300 -0.038 0.000 2.402 219 W HA -0.024 4.636 4.660 0.001 0.000 0.286 219 W C 2.712 179.222 176.519 -0.014 0.000 1.221 219 W CA 0.904 58.210 57.345 -0.064 0.000 1.257 219 W CB -0.346 29.138 29.460 0.040 0.000 1.120 219 W HN -0.165 nan 8.180 nan 0.000 0.551 220 R N 0.410 121.045 120.500 0.225 0.000 2.115 220 R HA -0.168 4.172 4.340 0.001 0.000 0.230 220 R C 2.114 178.488 176.300 0.122 0.000 1.111 220 R CA 1.412 57.627 56.100 0.190 0.000 0.976 220 R CB -0.482 29.897 30.300 0.132 0.000 0.870 220 R HN 0.263 nan 8.270 nan 0.000 0.445 221 M N 0.193 119.772 119.600 -0.036 0.000 2.077 221 M HA -0.152 4.328 4.480 0.001 0.000 0.261 221 M C 1.883 178.110 176.300 -0.122 0.000 1.070 221 M CA 1.592 56.816 55.300 -0.127 0.000 1.125 221 M CB 0.031 32.463 32.600 -0.280 0.000 1.339 221 M HN -0.002 nan 8.290 nan 0.000 0.409 222 V N 0.042 119.831 119.914 -0.209 0.000 2.392 222 V HA -0.328 3.793 4.120 0.001 0.000 0.249 222 V C 2.112 178.270 176.094 0.107 0.000 1.059 222 V CA 2.178 64.412 62.300 -0.109 0.000 1.051 222 V CB -1.065 30.683 31.823 -0.125 0.000 0.658 222 V HN 0.746 nan 8.190 nan 0.000 0.455 223 W N 0.984 122.310 121.300 0.043 0.000 2.408 223 W HA -0.103 4.557 4.660 0.001 0.000 0.311 223 W C 2.337 178.878 176.519 0.036 0.000 1.190 223 W CA 1.641 59.028 57.345 0.070 0.000 1.321 223 W CB -0.059 29.456 29.460 0.092 0.000 1.143 223 W HN 0.315 nan 8.180 nan 0.000 0.501 224 E N -0.166 120.121 120.200 0.144 0.000 2.153 224 E HA -0.233 4.117 4.350 0.001 0.000 0.194 224 E C 1.965 178.533 176.600 -0.053 0.000 0.988 224 E CA 0.920 57.343 56.400 0.038 0.000 0.811 224 E CB -0.123 29.636 29.700 0.099 0.000 0.746 224 E HN 0.208 nan 8.360 nan 0.000 0.466 225 Q N 0.141 119.911 119.800 -0.050 0.000 2.403 225 Q HA 0.028 4.368 4.340 0.001 0.000 0.203 225 Q C 0.026 175.978 176.000 -0.080 0.000 0.932 225 Q CA 0.295 56.074 55.803 -0.039 0.000 0.945 225 Q CB 0.410 29.137 28.738 -0.018 0.000 1.045 225 Q HN 0.214 nan 8.270 nan 0.000 0.511 226 K N -0.032 120.273 120.400 -0.158 0.000 3.230 226 K HA -0.101 4.219 4.320 0.001 0.000 0.285 226 K C -0.465 176.073 176.600 -0.102 0.000 1.196 226 K CA 0.337 56.513 56.287 -0.185 0.000 0.838 226 K CB -2.016 30.393 32.500 -0.151 0.000 1.262 226 K HN 0.021 nan 8.250 nan 0.000 0.492 227 S N -0.130 115.528 115.700 -0.070 0.000 2.564 227 S HA 0.346 4.816 4.470 0.001 0.000 0.278 227 S C 1.269 175.868 174.600 -0.001 0.000 1.333 227 S CA 0.076 58.253 58.200 -0.039 0.000 1.048 227 S CB 1.528 64.704 63.200 -0.039 0.000 0.900 227 S HN 0.442 nan 8.310 nan 0.000 0.505 228 A N 2.761 125.574 122.820 -0.012 0.000 2.252 228 A HA 0.345 4.666 4.320 0.001 0.000 0.213 228 A C 0.651 178.267 177.584 0.054 0.000 1.188 228 A CA 0.165 52.215 52.037 0.020 0.000 0.863 228 A CB 0.329 19.302 19.000 -0.046 0.000 0.893 228 A HN 0.631 nan 8.150 nan 0.000 0.495 229 T N 0.429 115.007 114.554 0.041 0.000 2.921 229 T HA 0.603 4.953 4.350 0.001 0.000 0.297 229 T C -0.851 173.895 174.700 0.077 0.000 1.013 229 T CA -0.128 62.006 62.100 0.056 0.000 0.990 229 T CB 1.495 70.373 68.868 0.016 0.000 1.023 229 T HN 0.170 nan 8.240 nan 0.000 0.447 230 I N 2.549 123.190 120.570 0.118 0.000 2.406 230 I HA 0.497 4.667 4.170 0.001 0.000 0.290 230 I C -0.599 175.572 176.117 0.090 0.000 0.999 230 I CA -1.149 60.239 61.300 0.147 0.000 1.124 230 I CB 1.965 40.128 38.000 0.271 0.000 1.289 230 I HN 0.256 nan 8.210 nan 0.000 0.441 231 V N 7.045 126.965 119.914 0.011 0.000 2.334 231 V HA 0.334 4.454 4.120 0.001 0.000 0.281 231 V C -0.028 175.911 176.094 -0.258 0.000 1.016 231 V CA -0.453 61.788 62.300 -0.097 0.000 0.832 231 V CB 1.449 33.101 31.823 -0.284 0.000 0.999 231 V HN 0.710 nan 8.190 nan 0.000 0.439 232 M N 5.973 125.424 119.600 -0.248 0.000 2.061 232 M HA 0.463 4.943 4.480 0.001 0.000 0.346 232 M C -0.273 175.836 176.300 -0.318 0.000 1.112 232 M CA -0.256 54.691 55.300 -0.590 0.000 1.021 232 M CB 0.728 33.002 32.600 -0.544 0.000 1.530 232 M HN 0.570 nan 8.290 nan 0.000 0.437 233 L N 3.703 124.697 121.223 -0.382 0.000 2.741 233 L HA 0.270 4.611 4.340 0.001 0.000 0.237 233 L C 0.525 177.277 176.870 -0.197 0.000 1.178 233 L CA -0.035 54.651 54.840 -0.257 0.000 0.973 233 L CB 0.248 42.056 42.059 -0.417 0.000 1.255 233 L HN 0.695 nan 8.230 nan 0.000 0.498 234 T N -1.185 113.293 114.554 -0.126 0.000 2.916 234 T HA 0.410 4.761 4.350 0.001 0.000 0.292 234 T C -0.296 174.500 174.700 0.159 0.000 1.055 234 T CA -0.616 61.470 62.100 -0.024 0.000 1.009 234 T CB 1.646 70.496 68.868 -0.030 0.000 1.118 234 T HN -0.032 nan 8.240 nan 0.000 0.497 235 N N 1.776 120.588 118.700 0.187 0.000 2.447 235 N HA 0.402 5.143 4.740 0.001 0.000 0.271 235 N C 1.329 176.943 175.510 0.173 0.000 1.226 235 N CA -0.500 52.705 53.050 0.257 0.000 0.980 235 N CB 1.115 39.703 38.487 0.170 0.000 1.206 235 N HN 0.511 nan 8.380 nan 0.000 0.558 236 L N 0.729 122.053 121.223 0.168 0.000 2.007 236 L HA -0.072 4.269 4.340 0.001 0.000 0.205 236 L C 1.374 178.277 176.870 0.055 0.000 1.073 236 L CA 1.364 56.260 54.840 0.093 0.000 0.744 236 L CB -0.424 41.656 42.059 0.035 0.000 0.898 236 L HN 0.531 nan 8.230 nan 0.000 0.435 237 K N 0.712 121.140 120.400 0.048 0.000 2.118 237 K HA 0.709 5.029 4.320 0.001 0.000 0.254 237 K C -0.374 176.256 176.600 0.050 0.000 0.961 237 K CA 0.061 56.371 56.287 0.038 0.000 0.876 237 K CB 0.787 33.299 32.500 0.021 0.000 1.077 237 K HN 0.208 nan 8.250 nan 0.000 0.440 238 E N -0.102 120.127 120.200 0.047 0.000 2.325 238 E HA 0.566 4.916 4.350 0.001 0.000 0.248 238 E C 0.475 177.102 176.600 0.045 0.000 0.912 238 E CA 0.144 56.575 56.400 0.052 0.000 0.782 238 E CB 0.329 30.062 29.700 0.055 0.000 1.264 238 E HN 2.260 nan 8.360 nan 0.000 0.417 239 R N -0.039 120.486 120.500 0.042 0.000 3.776 239 R HA 0.035 4.376 4.340 0.001 0.000 0.312 239 R C 1.746 178.064 176.300 0.029 0.000 1.181 239 R CA 2.792 58.913 56.100 0.036 0.000 0.836 239 R CB -3.275 27.049 30.300 0.039 0.000 1.324 239 R HN 2.597 nan 8.270 nan 0.000 0.501 240 K N -5.557 114.859 120.400 0.027 0.000 3.582 240 K HA 0.160 4.480 4.320 0.001 0.000 0.257 240 K C 0.823 177.435 176.600 0.021 0.000 1.145 240 K CA 2.160 58.459 56.287 0.020 0.000 1.005 240 K CB -2.713 29.797 32.500 0.017 0.000 1.309 240 K HN 2.710 nan 8.250 nan 0.000 0.540 241 E N 1.023 121.240 120.200 0.029 0.000 2.223 241 E HA 0.560 4.911 4.350 0.001 0.000 0.282 241 E C 0.236 176.855 176.600 0.032 0.000 1.046 241 E CA 0.523 56.942 56.400 0.032 0.000 0.857 241 E CB 0.127 29.854 29.700 0.045 0.000 1.055 241 E HN 1.775 nan 8.360 nan 0.000 0.409 242 E N 2.935 123.148 120.200 0.022 0.000 2.081 242 E HA 0.146 4.496 4.350 0.001 0.000 0.270 242 E C 0.568 177.185 176.600 0.029 0.000 1.180 242 E CA -0.423 55.989 56.400 0.020 0.000 0.926 242 E CB 0.032 29.739 29.700 0.011 0.000 1.035 242 E HN 0.413 nan 8.360 nan 0.000 0.418 243 K N 0.110 120.538 120.400 0.047 0.000 2.400 243 K HA 0.150 4.470 4.320 0.001 0.000 0.194 243 K C 0.229 176.865 176.600 0.060 0.000 1.033 243 K CA 0.376 56.704 56.287 0.069 0.000 1.021 243 K CB -0.156 32.389 32.500 0.074 0.000 0.808 243 K HN 0.643 nan 8.250 nan 0.000 0.505 244 C N 0.550 119.878 119.300 0.048 0.000 3.199 244 C HA 0.239 4.700 4.460 0.001 0.000 0.392 244 C C -1.027 173.988 174.990 0.042 0.000 1.050 244 C CA -1.006 58.039 59.018 0.044 0.000 1.222 244 C CB 0.710 28.506 27.740 0.092 0.000 1.595 244 C HN 0.530 nan 8.230 nan 0.000 0.560 245 H N 3.629 122.656 119.070 -0.071 0.000 2.548 245 H HA 0.251 4.807 4.556 0.001 0.000 0.331 245 H C -0.050 175.212 175.328 -0.109 0.000 1.093 245 H CA 0.475 56.466 56.048 -0.096 0.000 1.367 245 H CB 1.292 30.992 29.762 -0.103 0.000 1.455 245 H HN 0.880 nan 8.280 nan 0.000 0.519 246 Q N 4.583 123.947 119.800 -0.727 0.000 2.271 246 Q HA -0.056 4.285 4.340 0.001 0.000 0.273 246 Q C -0.644 175.002 176.000 -0.590 0.000 1.051 246 Q CA -0.114 55.153 55.803 -0.893 0.000 0.901 246 Q CB 0.154 28.236 28.738 -1.093 0.000 1.174 246 Q HN 0.729 nan 8.270 nan 0.000 0.385 247 Y N 2.569 122.632 120.300 -0.395 0.000 2.681 247 Y HA 0.390 4.941 4.550 0.001 0.000 0.267 247 Y C -1.331 174.648 175.900 0.132 0.000 1.166 247 Y CA -1.300 56.742 58.100 -0.097 0.000 1.209 247 Y CB -0.286 38.049 38.460 -0.208 0.000 1.161 247 Y HN 0.477 nan 8.280 nan 0.000 0.534 248 W N -0.162 121.058 121.300 -0.133 0.000 3.127 248 W HA 0.813 5.473 4.660 0.001 0.000 0.330 248 W C -3.261 173.304 176.519 0.076 0.000 1.187 248 W CA -3.119 54.192 57.345 -0.056 0.000 1.198 248 W CB 0.620 29.935 29.460 -0.241 0.000 1.408 248 W HN -0.252 nan 8.180 nan 0.000 0.529 249 P HA 0.173 nan 4.420 nan 0.000 0.271 249 P C 0.448 177.922 177.300 0.289 0.000 1.216 249 P CA 0.910 64.129 63.100 0.198 0.000 0.776 249 P CB 0.919 32.789 31.700 0.285 0.000 0.881 250 D N 1.425 121.898 120.400 0.121 0.000 2.084 250 D HA 0.050 4.690 4.640 0.001 0.000 0.199 250 D C 1.197 177.613 176.300 0.193 0.000 0.981 250 D CA 1.745 55.847 54.000 0.170 0.000 0.841 250 D CB -0.613 40.217 40.800 0.050 0.000 0.997 250 D HN 0.699 nan 8.370 nan 0.000 0.454 251 Q N -1.525 118.360 119.800 0.141 0.000 2.306 251 Q HA 0.654 4.994 4.340 0.001 0.000 0.265 251 Q C 1.255 177.348 176.000 0.155 0.000 1.022 251 Q CA 0.219 56.102 55.803 0.134 0.000 0.853 251 Q CB 0.985 29.778 28.738 0.093 0.000 1.327 251 Q HN 1.880 nan 8.270 nan 0.000 0.449 252 G N -0.629 108.259 108.800 0.147 0.000 2.556 252 G HA2 -0.181 3.780 3.960 0.001 0.000 0.283 252 G HA3 -0.181 3.780 3.960 0.001 0.000 0.283 252 G C 0.537 175.539 174.900 0.170 0.000 1.177 252 G CA 0.332 45.514 45.100 0.137 0.000 0.978 252 G HN 1.731 nan 8.290 nan 0.000 0.554 253 c N -1.037 117.657 118.600 0.157 0.000 2.971 253 c HA 0.914 5.484 4.570 0.001 0.000 0.310 253 c C -0.589 173.629 174.090 0.214 0.000 1.285 253 c CA -0.409 56.009 56.329 0.149 0.000 1.593 253 c CB 1.913 44.456 42.510 0.055 0.000 2.076 253 c HN 0.815 nan 8.230 nan 0.000 0.472 254 W N 0.492 121.727 121.300 -0.109 0.000 3.624 254 W HA 0.489 5.150 4.660 0.001 0.000 0.312 254 W C -0.666 175.651 176.519 -0.337 0.000 1.203 254 W CA -0.290 56.894 57.345 -0.268 0.000 1.225 254 W CB 1.393 30.601 29.460 -0.420 0.000 1.321 254 W HN 0.965 nan 8.180 nan 0.000 0.506 255 T N 3.932 118.103 114.554 -0.639 0.000 2.739 255 T HA 0.399 4.750 4.350 0.001 0.000 0.298 255 T C -1.085 173.449 174.700 -0.277 0.000 0.929 255 T CA 0.180 62.055 62.100 -0.376 0.000 1.014 255 T CB -0.177 68.476 68.868 -0.358 0.000 0.914 255 T HN 0.254 nan 8.240 nan 0.000 0.509 256 Y N 3.786 124.112 120.300 0.043 0.000 2.751 256 Y HA 0.447 4.997 4.550 0.001 0.000 0.333 256 Y C 1.525 177.473 175.900 0.080 0.000 1.122 256 Y CA 0.348 58.547 58.100 0.164 0.000 1.367 256 Y CB 0.389 38.974 38.460 0.209 0.000 1.242 256 Y HN 1.188 nan 8.280 nan 0.000 0.505 257 G N 1.652 110.540 108.800 0.146 0.000 2.536 257 G HA2 -0.444 3.516 3.960 0.001 0.000 0.277 257 G HA3 -0.444 3.516 3.960 0.001 0.000 0.277 257 G C 0.903 175.801 174.900 -0.002 0.000 1.155 257 G CA 0.293 45.440 45.100 0.078 0.000 0.960 257 G HN 0.770 nan 8.290 nan 0.000 0.544 258 N N -0.156 118.533 118.700 -0.018 0.000 2.276 258 N HA 0.565 5.306 4.740 0.001 0.000 0.212 258 N C 0.386 175.800 175.510 -0.160 0.000 1.127 258 N CA 1.040 54.039 53.050 -0.086 0.000 0.834 258 N CB 0.143 38.581 38.487 -0.081 0.000 1.014 258 N HN 0.672 nan 8.380 nan 0.000 0.491 259 I N 1.182 121.677 120.570 -0.125 0.000 2.410 259 I HA 0.445 4.615 4.170 0.001 0.000 0.286 259 I C 0.385 176.397 176.117 -0.176 0.000 1.009 259 I CA -1.164 60.007 61.300 -0.214 0.000 1.111 259 I CB 0.870 38.775 38.000 -0.159 0.000 1.262 259 I HN 0.387 nan 8.210 nan 0.000 0.443 260 R N 5.673 126.047 120.500 -0.209 0.000 2.196 260 R HA 0.667 5.008 4.340 0.001 0.000 0.340 260 R C -0.825 175.375 176.300 -0.167 0.000 1.043 260 R CA -0.436 55.567 56.100 -0.162 0.000 0.883 260 R CB 0.507 30.721 30.300 -0.144 0.000 1.078 260 R HN 0.450 nan 8.270 nan 0.000 0.462 261 V N 1.555 121.376 119.914 -0.156 0.000 2.539 261 V HA 0.575 4.696 4.120 0.001 0.000 0.292 261 V C 0.017 176.125 176.094 0.023 0.000 1.045 261 V CA -0.843 61.331 62.300 -0.209 0.000 0.945 261 V CB 1.678 33.175 31.823 -0.542 0.000 0.993 261 V HN 1.011 nan 8.190 nan 0.000 0.464 262 c N 3.421 122.094 118.600 0.122 0.000 2.535 262 c HA 0.515 5.085 4.570 0.001 0.000 0.319 262 c C -0.061 174.252 174.090 0.371 0.000 1.171 262 c CA -0.887 55.570 56.329 0.214 0.000 1.394 262 c CB 1.544 44.137 42.510 0.139 0.000 1.990 262 c HN 0.632 nan 8.230 nan 0.000 0.466 263 V N 4.077 124.219 119.914 0.379 0.000 2.470 263 V HA 0.164 4.284 4.120 0.001 0.000 0.276 263 V C 0.816 177.017 176.094 0.177 0.000 1.040 263 V CA 0.605 63.120 62.300 0.359 0.000 1.008 263 V CB 0.889 32.911 31.823 0.332 0.000 0.990 263 V HN 0.911 nan 8.190 nan 0.000 0.477 264 E N 2.486 122.744 120.200 0.098 0.000 2.330 264 E HA 0.219 4.570 4.350 0.001 0.000 0.200 264 E C 0.651 177.259 176.600 0.013 0.000 0.922 264 E CA 1.032 57.466 56.400 0.056 0.000 0.935 264 E CB 0.599 30.334 29.700 0.057 0.000 0.917 264 E HN 0.914 nan 8.360 nan 0.000 0.491 265 D N -0.952 119.424 120.400 -0.041 0.000 2.654 265 D HA 0.612 5.252 4.640 0.001 0.000 0.231 265 D C -0.875 175.365 176.300 -0.100 0.000 1.239 265 D CA -0.053 53.919 54.000 -0.048 0.000 0.790 265 D CB 1.028 41.805 40.800 -0.037 0.000 1.480 265 D HN 0.274 nan 8.370 nan 0.000 0.442 266 C N 1.209 120.471 119.300 -0.064 0.000 2.397 266 C HA 0.829 5.289 4.460 0.001 0.000 0.325 266 C C -0.234 174.721 174.990 -0.059 0.000 1.201 266 C CA -0.617 58.355 59.018 -0.077 0.000 1.377 266 C CB 0.531 28.247 27.740 -0.041 0.000 2.038 266 C HN 0.745 nan 8.230 nan 0.000 0.457 267 V N 5.191 125.066 119.914 -0.065 0.000 2.384 267 V HA 0.555 4.675 4.120 0.001 0.000 0.287 267 V C -0.022 176.000 176.094 -0.119 0.000 1.020 267 V CA -0.559 61.697 62.300 -0.073 0.000 0.850 267 V CB 1.346 33.141 31.823 -0.045 0.000 0.987 267 V HN 0.675 nan 8.190 nan 0.000 0.436 268 V N 7.247 127.068 119.914 -0.155 0.000 2.304 268 V HA 0.408 4.528 4.120 0.001 0.000 0.269 268 V C 0.134 176.034 176.094 -0.324 0.000 1.036 268 V CA -0.102 62.069 62.300 -0.214 0.000 0.840 268 V CB 0.949 32.668 31.823 -0.172 0.000 1.036 268 V HN 0.635 nan 8.190 nan 0.000 0.466 269 L N 4.051 124.999 121.223 -0.459 0.000 2.416 269 L HA 0.460 4.800 4.340 0.001 0.000 0.263 269 L C 1.502 178.062 176.870 -0.516 0.000 1.065 269 L CA -0.369 54.090 54.840 -0.635 0.000 0.798 269 L CB 1.201 42.709 42.059 -0.918 0.000 1.267 269 L HN 0.370 nan 8.230 nan 0.000 0.467 270 V N 0.698 120.330 119.914 -0.469 0.000 2.307 270 V HA -0.243 3.877 4.120 0.001 0.000 0.245 270 V C 1.900 177.825 176.094 -0.282 0.000 1.045 270 V CA 2.818 64.935 62.300 -0.304 0.000 1.024 270 V CB -0.281 31.422 31.823 -0.199 0.000 0.651 270 V HN 0.999 nan 8.190 nan 0.000 0.449 271 D N -2.137 118.085 120.400 -0.297 0.000 2.346 271 D HA 0.244 4.884 4.640 0.001 0.000 0.206 271 D C 0.548 176.626 176.300 -0.370 0.000 1.001 271 D CA 0.790 54.633 54.000 -0.261 0.000 0.871 271 D CB 0.033 40.829 40.800 -0.006 0.000 0.943 271 D HN 0.837 nan 8.370 nan 0.000 0.518 272 Y N -2.920 117.217 120.300 -0.272 0.000 2.624 272 Y HA 0.554 5.105 4.550 0.001 0.000 0.334 272 Y C -0.445 175.392 175.900 -0.106 0.000 1.155 272 Y CA -0.929 57.059 58.100 -0.186 0.000 1.046 272 Y CB 1.036 39.573 38.460 0.128 0.000 1.316 272 Y HN -0.010 nan 8.280 nan 0.000 0.457 273 T N 0.434 115.018 114.554 0.051 0.000 2.924 273 T HA 0.781 5.131 4.350 0.001 0.000 0.291 273 T C -1.449 173.346 174.700 0.158 0.000 1.045 273 T CA -0.712 61.382 62.100 -0.011 0.000 1.015 273 T CB 1.811 70.604 68.868 -0.125 0.000 1.103 273 T HN 0.909 nan 8.240 nan 0.000 0.496 274 I N 1.378 121.989 120.570 0.069 0.000 2.478 274 I HA 0.527 4.697 4.170 0.001 0.000 0.287 274 I C -0.530 175.538 176.117 -0.081 0.000 1.042 274 I CA -0.914 60.425 61.300 0.066 0.000 1.067 274 I CB 1.601 39.678 38.000 0.129 0.000 1.233 274 I HN 0.664 nan 8.210 nan 0.000 0.431 275 R N 4.992 125.376 120.500 -0.194 0.000 2.534 275 R HA 0.479 4.820 4.340 0.001 0.000 0.301 275 R C -1.222 174.738 176.300 -0.565 0.000 0.961 275 R CA -1.036 54.803 56.100 -0.436 0.000 0.871 275 R CB 2.289 32.186 30.300 -0.672 0.000 1.170 275 R HN 0.278 nan 8.270 nan 0.000 0.446 276 K N 2.987 123.081 120.400 -0.510 0.000 2.339 276 K HA 0.367 4.688 4.320 0.001 0.000 0.264 276 K C -1.373 175.025 176.600 -0.336 0.000 0.986 276 K CA -0.070 56.027 56.287 -0.316 0.000 0.866 276 K CB 0.621 33.051 32.500 -0.117 0.000 1.103 276 K HN 0.297 nan 8.250 nan 0.000 0.441 277 F N 1.510 121.537 119.950 0.128 0.000 2.483 277 F HA 0.464 4.991 4.527 0.001 0.000 0.329 277 F C 0.043 175.924 175.800 0.134 0.000 1.064 277 F CA -1.103 56.988 58.000 0.150 0.000 0.986 277 F CB 1.563 40.703 39.000 0.234 0.000 1.218 277 F HN 0.320 nan 8.300 nan 0.000 0.484 278 C N 5.967 125.468 119.300 0.335 0.000 2.437 278 C HA 0.629 5.089 4.460 0.001 0.000 0.307 278 C C -0.177 174.909 174.990 0.160 0.000 1.093 278 C CA -0.783 58.365 59.018 0.217 0.000 1.463 278 C CB -1.543 26.291 27.740 0.157 0.000 1.926 278 C HN 0.664 nan 8.230 nan 0.000 0.420 279 I N 3.807 124.487 120.570 0.182 0.000 2.498 279 I HA 0.749 4.920 4.170 0.001 0.000 0.301 279 I C -0.813 175.367 176.117 0.105 0.000 0.984 279 I CA -0.124 61.224 61.300 0.080 0.000 1.204 279 I CB 1.652 39.720 38.000 0.113 0.000 1.362 279 I HN 0.777 nan 8.210 nan 0.000 0.471 280 Q N 5.905 125.615 119.800 -0.150 0.000 2.617 280 Q HA 0.494 4.835 4.340 0.001 0.000 0.270 280 Q C -3.004 172.719 176.000 -0.462 0.000 0.967 280 Q CA -1.253 54.368 55.803 -0.304 0.000 0.887 280 Q CB 3.075 31.765 28.738 -0.081 0.000 1.516 280 Q HN 0.529 nan 8.270 nan 0.000 0.395 289 A N 3.699 126.623 122.820 0.175 0.000 2.522 289 A HA 0.514 4.834 4.320 0.001 0.000 0.256 289 A C -1.820 175.911 177.584 0.245 0.000 1.086 289 A CA -0.291 51.840 52.037 0.156 0.000 0.763 289 A CB -0.587 18.476 19.000 0.105 0.000 1.024 289 A HN 0.444 nan 8.150 nan 0.000 0.502 290 P HA 0.297 nan 4.420 nan 0.000 0.272 290 P C -0.418 177.022 177.300 0.233 0.000 1.230 290 P CA -0.212 63.022 63.100 0.223 0.000 0.788 290 P CB 0.737 32.516 31.700 0.131 0.000 0.949 291 R N 1.029 121.702 120.500 0.289 0.000 2.725 291 R HA 0.564 4.905 4.340 0.001 0.000 0.277 291 R C -1.058 175.378 176.300 0.227 0.000 0.987 291 R CA -0.932 55.309 56.100 0.235 0.000 0.901 291 R CB 1.347 31.787 30.300 0.233 0.000 1.207 291 R HN 0.421 nan 8.270 nan 0.000 0.463 292 L N 3.879 125.209 121.223 0.180 0.000 2.265 292 L HA 0.444 4.784 4.340 0.001 0.000 0.289 292 L C -0.815 176.171 176.870 0.193 0.000 1.033 292 L CA -0.779 54.169 54.840 0.179 0.000 0.814 292 L CB 1.821 43.957 42.059 0.128 0.000 1.203 292 L HN 0.320 nan 8.230 nan 0.000 0.423 293 V N 2.517 122.594 119.914 0.272 0.000 2.417 293 V HA 0.379 4.499 4.120 0.001 0.000 0.291 293 V C -0.053 176.202 176.094 0.268 0.000 1.024 293 V CA -0.547 61.932 62.300 0.299 0.000 0.861 293 V CB 1.963 34.062 31.823 0.460 0.000 0.985 293 V HN 0.821 nan 8.190 nan 0.000 0.436 294 S N 4.582 120.376 115.700 0.158 0.000 2.433 294 S HA 0.532 5.002 4.470 0.001 0.000 0.310 294 S C -0.571 174.084 174.600 0.091 0.000 1.097 294 S CA -0.707 57.532 58.200 0.065 0.000 1.103 294 S CB 1.498 64.710 63.200 0.020 0.000 0.992 294 S HN 0.740 nan 8.310 nan 0.000 0.469 295 Q N 2.780 122.609 119.800 0.048 0.000 2.278 295 Q HA 0.465 4.805 4.340 0.001 0.000 0.257 295 Q C -1.662 174.363 176.000 0.040 0.000 0.928 295 Q CA -0.665 55.191 55.803 0.088 0.000 0.932 295 Q CB 0.745 29.558 28.738 0.125 0.000 1.221 295 Q HN 0.747 nan 8.270 nan 0.000 0.434 296 L N 4.305 125.582 121.223 0.089 0.000 2.294 296 L HA 0.359 4.699 4.340 0.001 0.000 0.283 296 L C -0.467 176.628 176.870 0.374 0.000 1.015 296 L CA -0.300 54.654 54.840 0.190 0.000 0.831 296 L CB 1.307 43.359 42.059 -0.012 0.000 1.217 296 L HN 0.620 nan 8.230 nan 0.000 0.420 297 H N 3.896 123.123 119.070 0.262 0.000 2.638 297 H HA 0.270 4.827 4.556 0.001 0.000 0.303 297 H C -1.061 174.365 175.328 0.165 0.000 1.034 297 H CA -0.937 55.200 56.048 0.149 0.000 1.225 297 H CB 0.789 30.551 29.762 -0.001 0.000 1.394 297 H HN 0.502 nan 8.280 nan 0.000 0.477 298 F N 5.131 125.146 119.950 0.107 0.000 2.462 298 F HA 0.074 4.601 4.527 0.001 0.000 0.360 298 F C 0.771 176.571 175.800 -0.001 0.000 1.134 298 F CA 0.213 58.069 58.000 -0.241 0.000 1.148 298 F CB 0.938 39.499 39.000 -0.733 0.000 1.147 298 F HN 0.548 nan 8.300 nan 0.000 0.550 299 T N 2.829 117.133 114.554 -0.417 0.000 3.035 299 T HA -0.018 4.332 4.350 0.001 0.000 0.259 299 T C 2.274 176.811 174.700 -0.271 0.000 1.078 299 T CA 1.176 63.090 62.100 -0.310 0.000 1.132 299 T CB -0.022 68.638 68.868 -0.348 0.000 0.900 299 T HN 0.700 nan 8.240 nan 0.000 0.480 300 S N 0.484 115.810 115.700 -0.622 0.000 2.481 300 S HA -0.005 4.466 4.470 0.001 0.000 0.231 300 S C 0.747 175.354 174.600 0.012 0.000 0.996 300 S CA 0.025 58.024 58.200 -0.336 0.000 0.942 300 S CB -0.483 62.421 63.200 -0.494 0.000 0.768 300 S HN 0.504 nan 8.310 nan 0.000 0.520 301 W N 4.434 125.762 121.300 0.046 0.000 2.489 301 W HA 0.215 4.875 4.660 0.001 0.000 0.327 301 W C -2.469 174.062 176.519 0.021 0.000 1.436 301 W CA -1.808 55.602 57.345 0.109 0.000 1.315 301 W CB 0.415 29.963 29.460 0.147 0.000 1.373 301 W HN 0.150 nan 8.180 nan 0.000 0.557 302 P HA 0.107 nan 4.420 nan 0.000 0.274 302 P C 0.455 177.909 177.300 0.257 0.000 1.237 302 P CA 0.704 63.921 63.100 0.194 0.000 0.793 302 P CB 0.714 32.492 31.700 0.130 0.000 0.977 303 D N 0.534 121.037 120.400 0.172 0.000 2.077 303 D HA -0.014 4.626 4.640 0.001 0.000 0.193 303 D C 1.012 177.386 176.300 0.124 0.000 0.989 303 D CA 1.505 55.586 54.000 0.134 0.000 0.831 303 D CB -0.805 40.053 40.800 0.096 0.000 0.979 303 D HN 0.460 nan 8.370 nan 0.000 0.449 304 F N -0.536 119.477 119.950 0.106 0.000 2.404 304 F HA 0.649 5.177 4.527 0.001 0.000 0.339 304 F C 1.438 177.292 175.800 0.090 0.000 1.105 304 F CA -0.489 57.563 58.000 0.086 0.000 1.087 304 F CB 0.514 39.553 39.000 0.065 0.000 1.143 304 F HN 1.194 nan 8.300 nan 0.000 0.491 305 G N 0.375 109.223 108.800 0.081 0.000 2.760 305 G HA2 0.277 4.238 3.960 0.001 0.000 0.246 305 G HA3 0.277 4.238 3.960 0.001 0.000 0.246 305 G C -0.195 174.728 174.900 0.038 0.000 1.359 305 G CA 0.204 45.334 45.100 0.049 0.000 0.861 305 G HN 2.666 nan 8.290 nan 0.000 0.541 306 V N -1.791 118.066 119.914 -0.095 0.000 3.262 306 V HA 0.857 4.978 4.120 0.001 0.000 0.313 306 V C -1.102 174.632 176.094 -0.601 0.000 1.070 306 V CA -0.865 61.185 62.300 -0.418 0.000 1.049 306 V CB 0.980 32.521 31.823 -0.469 0.000 1.157 306 V HN 0.852 nan 8.190 nan 0.000 0.454 307 P HA 0.288 nan 4.420 nan 0.000 0.300 307 P C -0.139 176.768 177.300 -0.654 0.000 1.294 307 P CA 0.326 62.720 63.100 -1.177 0.000 0.757 307 P CB 0.148 31.170 31.700 -1.130 0.000 1.377 308 F N -3.165 116.753 119.950 -0.053 0.000 2.444 308 F HA 0.388 4.916 4.527 0.001 0.000 0.263 308 F C 1.557 177.338 175.800 -0.032 0.000 0.912 308 F CA 0.087 58.045 58.000 -0.070 0.000 1.122 308 F CB -1.482 37.428 39.000 -0.151 0.000 1.246 308 F HN 0.083 nan 8.300 nan 0.000 0.752 309 T N 1.772 116.444 114.554 0.197 0.000 2.913 309 T HA 0.485 4.836 4.350 0.001 0.000 0.287 309 T C -2.015 172.700 174.700 0.024 0.000 1.008 309 T CA -1.883 60.273 62.100 0.093 0.000 1.067 309 T CB -0.213 68.738 68.868 0.138 0.000 0.996 309 T HN 0.013 nan 8.240 nan 0.000 0.513 310 P HA 0.281 nan 4.420 nan 0.000 0.266 310 P C 1.707 179.030 177.300 0.038 0.000 1.381 310 P CA 0.047 63.086 63.100 -0.102 0.000 0.940 310 P CB -0.831 30.576 31.700 -0.489 0.000 1.435 311 I N 0.901 121.528 120.570 0.095 0.000 2.091 311 I HA -0.185 3.986 4.170 0.001 0.000 0.239 311 I C 2.495 178.735 176.117 0.204 0.000 1.061 311 I CA 2.677 64.066 61.300 0.148 0.000 1.317 311 I CB -2.098 35.989 38.000 0.146 0.000 1.031 311 I HN 0.177 nan 8.210 nan 0.000 0.401 312 G N -0.676 108.273 108.800 0.249 0.000 2.476 312 G HA2 -0.343 3.618 3.960 0.001 0.000 0.218 312 G HA3 -0.343 3.618 3.960 0.001 0.000 0.218 312 G C 1.743 176.908 174.900 0.442 0.000 1.164 312 G CA 1.655 46.976 45.100 0.368 0.000 0.768 312 G HN 0.650 nan 8.290 nan 0.000 0.560 313 M N 0.053 119.837 119.600 0.308 0.000 2.229 313 M HA 0.215 4.695 4.480 0.001 0.000 0.264 313 M C 2.258 178.682 176.300 0.206 0.000 1.063 313 M CA 1.040 56.442 55.300 0.170 0.000 1.114 313 M CB -0.293 32.350 32.600 0.071 0.000 1.387 313 M HN 0.191 nan 8.290 nan 0.000 0.420 314 L N -0.364 120.955 121.223 0.160 0.000 2.109 314 L HA -0.142 4.198 4.340 0.001 0.000 0.207 314 L C 2.789 179.745 176.870 0.145 0.000 1.086 314 L CA 1.523 56.425 54.840 0.103 0.000 0.760 314 L CB -1.023 41.101 42.059 0.109 0.000 0.910 314 L HN 0.347 nan 8.230 nan 0.000 0.437 315 K N -0.007 120.526 120.400 0.222 0.000 2.026 315 K HA -0.253 4.068 4.320 0.001 0.000 0.208 315 K C 1.877 178.590 176.600 0.188 0.000 1.048 315 K CA 1.824 58.249 56.287 0.231 0.000 0.929 315 K CB -1.477 31.207 32.500 0.307 0.000 0.713 315 K HN 0.268 nan 8.250 nan 0.000 0.439 316 F N 0.704 120.692 119.950 0.063 0.000 2.126 316 F HA -0.061 4.466 4.527 0.001 0.000 0.299 316 F C 2.034 177.818 175.800 -0.027 0.000 1.096 316 F CA 1.659 59.584 58.000 -0.124 0.000 1.255 316 F CB -0.168 38.882 39.000 0.083 0.000 0.997 316 F HN 0.154 nan 8.300 nan 0.000 0.479 317 L N 0.529 121.796 121.223 0.073 0.000 2.291 317 L HA -0.061 4.280 4.340 0.001 0.000 0.214 317 L C 2.544 179.346 176.870 -0.114 0.000 1.120 317 L CA 1.608 56.419 54.840 -0.048 0.000 0.799 317 L CB -0.716 41.270 42.059 -0.121 0.000 0.925 317 L HN 0.167 nan 8.230 nan 0.000 0.446 318 K N -0.121 120.238 120.400 -0.069 0.000 2.116 318 K HA -0.156 4.165 4.320 0.001 0.000 0.203 318 K C 2.072 178.629 176.600 -0.071 0.000 1.052 318 K CA 1.484 57.742 56.287 -0.047 0.000 0.952 318 K CB -0.474 32.040 32.500 0.023 0.000 0.729 318 K HN 0.224 nan 8.250 nan 0.000 0.446 319 K N 0.362 120.685 120.400 -0.127 0.000 2.148 319 K HA 0.016 4.336 4.320 0.001 0.000 0.204 319 K C 1.921 178.409 176.600 -0.187 0.000 1.050 319 K CA 1.155 57.355 56.287 -0.145 0.000 0.942 319 K CB -0.368 32.006 32.500 -0.210 0.000 0.724 319 K HN 0.155 nan 8.250 nan 0.000 0.446 320 V N 0.924 120.679 119.914 -0.265 0.000 2.307 320 V HA -0.241 3.880 4.120 0.001 0.000 0.245 320 V C 2.629 178.674 176.094 -0.083 0.000 1.045 320 V CA 2.415 64.608 62.300 -0.177 0.000 1.024 320 V CB -0.815 30.941 31.823 -0.113 0.000 0.651 320 V HN 0.540 nan 8.190 nan 0.000 0.449 321 K N -0.521 119.836 120.400 -0.072 0.000 2.113 321 K HA -0.295 4.026 4.320 0.001 0.000 0.208 321 K C 2.135 178.703 176.600 -0.052 0.000 1.047 321 K CA 2.437 58.689 56.287 -0.058 0.000 0.928 321 K CB -1.584 30.879 32.500 -0.061 0.000 0.716 321 K HN 0.543 nan 8.250 nan 0.000 0.446 322 T N 0.864 115.390 114.554 -0.047 0.000 2.708 322 T HA 0.032 4.382 4.350 0.001 0.000 0.266 322 T C 1.763 176.446 174.700 -0.028 0.000 1.037 322 T CA 1.383 63.466 62.100 -0.028 0.000 1.146 322 T CB -0.158 68.703 68.868 -0.012 0.000 0.865 322 T HN 0.386 nan 8.240 nan 0.000 0.435 323 L N 0.516 121.716 121.223 -0.038 0.000 2.567 323 L HA 0.252 4.592 4.340 0.001 0.000 0.225 323 L C 0.636 177.483 176.870 -0.039 0.000 1.119 323 L CA -0.127 54.696 54.840 -0.029 0.000 0.871 323 L CB -0.227 41.816 42.059 -0.028 0.000 1.036 323 L HN 0.101 nan 8.230 nan 0.000 0.459 324 N N 1.511 120.177 118.700 -0.056 0.000 2.419 324 N HA 0.237 4.978 4.740 0.001 0.000 0.264 324 N C -2.358 173.085 175.510 -0.111 0.000 1.031 324 N CA -1.583 51.419 53.050 -0.081 0.000 0.951 324 N CB 1.062 39.500 38.487 -0.082 0.000 1.101 324 N HN -0.128 nan 8.380 nan 0.000 0.488 325 P HA 0.080 nan 4.420 nan 0.000 0.271 325 P C 1.147 178.294 177.300 -0.256 0.000 1.216 325 P CA -0.215 62.752 63.100 -0.222 0.000 0.776 325 P CB 0.652 32.105 31.700 -0.411 0.000 0.881 326 V N 3.467 123.303 119.914 -0.130 0.000 2.370 326 V HA -0.299 3.821 4.120 0.001 0.000 0.252 326 V C 2.408 178.452 176.094 -0.083 0.000 1.068 326 V CA 2.570 64.822 62.300 -0.079 0.000 1.061 326 V CB -1.687 30.129 31.823 -0.012 0.000 0.656 326 V HN 0.807 nan 8.190 nan 0.000 0.455 327 H N -0.346 118.702 119.070 -0.037 0.000 2.548 327 H HA 0.484 5.041 4.556 0.001 0.000 0.268 327 H C 1.144 176.442 175.328 -0.050 0.000 0.975 327 H CA 0.645 56.668 56.048 -0.041 0.000 1.195 327 H CB -0.368 29.372 29.762 -0.036 0.000 1.397 327 H HN 0.655 nan 8.280 nan 0.000 0.572 328 A N 1.422 123.949 122.820 -0.488 0.000 2.346 328 A HA 0.431 4.752 4.320 0.001 0.000 0.255 328 A C 1.184 178.689 177.584 -0.132 0.000 1.113 328 A CA 0.137 51.987 52.037 -0.312 0.000 0.798 328 A CB -0.311 18.488 19.000 -0.336 0.000 1.073 328 A HN 0.552 nan 8.150 nan 0.000 0.502 329 G N -0.786 107.958 108.800 -0.094 0.000 2.516 329 G HA2 0.496 4.456 3.960 0.001 0.000 0.276 329 G HA3 0.496 4.456 3.960 0.001 0.000 0.276 329 G C -2.379 172.478 174.900 -0.072 0.000 1.390 329 G CA -0.862 44.198 45.100 -0.068 0.000 1.050 329 G HN 0.658 nan 8.290 nan 0.000 0.519 330 P HA 0.211 nan 4.420 nan 0.000 0.272 330 P C -0.289 176.994 177.300 -0.027 0.000 1.223 330 P CA -0.059 63.020 63.100 -0.034 0.000 0.784 330 P CB 1.047 32.791 31.700 0.073 0.000 0.923 331 I N 1.836 122.383 120.570 -0.038 0.000 2.396 331 I HA 0.074 4.244 4.170 0.001 0.000 0.289 331 I C 0.465 176.664 176.117 0.136 0.000 1.056 331 I CA -0.710 60.619 61.300 0.048 0.000 1.365 331 I CB 0.815 38.876 38.000 0.102 0.000 1.407 331 I HN 0.008 nan 8.210 nan 0.000 0.509 332 V N 8.124 128.083 119.914 0.076 0.000 2.427 332 V HA 0.116 4.237 4.120 0.001 0.000 0.268 332 V C 0.251 176.411 176.094 0.110 0.000 1.046 332 V CA -0.260 62.082 62.300 0.070 0.000 0.970 332 V CB 1.047 32.860 31.823 -0.016 0.000 1.001 332 V HN 0.400 nan 8.190 nan 0.000 0.476 333 V N 6.160 126.136 119.914 0.102 0.000 2.448 333 V HA 0.581 4.701 4.120 0.001 0.000 0.295 333 V C -0.394 175.711 176.094 0.018 0.000 1.025 333 V CA -0.621 61.668 62.300 -0.018 0.000 0.859 333 V CB 1.458 33.240 31.823 -0.069 0.000 0.988 333 V HN 1.144 nan 8.190 nan 0.000 0.431 334 H N 2.267 121.282 119.070 -0.093 0.000 2.961 334 H HA 0.814 5.370 4.556 0.001 0.000 0.371 334 H C -0.086 175.159 175.328 -0.139 0.000 1.190 334 H CA -0.309 55.678 56.048 -0.102 0.000 1.138 334 H CB 1.522 31.224 29.762 -0.099 0.000 1.816 334 H HN 0.661 nan 8.280 nan 0.000 0.551 335 C N 0.631 119.926 119.300 -0.009 0.000 3.185 335 C HA 0.609 5.070 4.460 0.001 0.000 0.077 335 C C 1.859 176.882 174.990 0.056 0.000 2.338 335 C CA 0.589 59.558 59.018 -0.081 0.000 1.535 335 C CB 0.793 28.406 27.740 -0.211 0.000 2.550 335 C HN 0.797 nan 8.230 nan 0.000 0.425 336 S N 0.352 116.063 115.700 0.019 0.000 2.694 336 S HA 0.360 4.830 4.470 0.001 0.000 0.225 336 S C 1.876 176.593 174.600 0.195 0.000 1.012 336 S CA 1.110 59.379 58.200 0.115 0.000 0.896 336 S CB -0.646 62.636 63.200 0.138 0.000 0.838 336 S HN 1.023 nan 8.310 nan 0.000 0.604 337 A N -0.118 122.772 122.820 0.117 0.000 2.081 337 A HA 0.505 4.826 4.320 0.001 0.000 0.214 337 A C 1.705 179.323 177.584 0.058 0.000 1.158 337 A CA 1.109 53.217 52.037 0.118 0.000 0.724 337 A CB -0.928 17.973 19.000 -0.166 0.000 0.826 337 A HN 1.524 nan 8.150 nan 0.000 0.463 338 G N -1.540 107.265 108.800 0.008 0.000 2.157 338 G HA2 -0.088 3.873 3.960 0.001 0.000 0.248 338 G HA3 -0.088 3.873 3.960 0.001 0.000 0.248 338 G C 0.254 175.138 174.900 -0.026 0.000 0.979 338 G CA 0.645 45.742 45.100 -0.004 0.000 0.650 338 G HN 1.862 nan 8.290 nan 0.000 0.529 339 V N -3.780 116.106 119.914 -0.046 0.000 2.760 339 V HA 0.998 5.118 4.120 0.001 0.000 0.309 339 V C 0.747 176.795 176.094 -0.076 0.000 1.077 339 V CA 0.572 62.844 62.300 -0.047 0.000 0.910 339 V CB 1.355 33.162 31.823 -0.026 0.000 1.008 339 V HN 2.117 nan 8.190 nan 0.000 0.424 340 G N 4.602 113.361 108.800 -0.067 0.000 1.829 340 G HA2 -0.161 3.799 3.960 0.001 0.000 0.214 340 G HA3 -0.161 3.799 3.960 0.001 0.000 0.214 340 G C 0.641 175.451 174.900 -0.151 0.000 1.627 340 G CA 0.277 45.323 45.100 -0.091 0.000 1.390 340 G HN 0.800 nan 8.290 nan 0.000 0.458 341 R N 0.127 120.428 120.500 -0.332 0.000 2.070 341 R HA 0.096 4.436 4.340 0.001 0.000 0.233 341 R C 2.851 178.982 176.300 -0.282 0.000 1.137 341 R CA 2.204 57.968 56.100 -0.561 0.000 0.945 341 R CB -0.933 28.747 30.300 -1.033 0.000 0.845 341 R HN 0.493 nan 8.270 nan 0.000 0.430 342 T N -0.414 113.998 114.554 -0.236 0.000 2.737 342 T HA -0.157 4.193 4.350 0.001 0.000 0.269 342 T C 1.800 176.472 174.700 -0.046 0.000 1.040 342 T CA 1.704 63.719 62.100 -0.143 0.000 1.142 342 T CB -0.434 68.360 68.868 -0.124 0.000 0.861 342 T HN 0.531 nan 8.240 nan 0.000 0.456 343 G N 0.261 109.038 108.800 -0.038 0.000 2.404 343 G HA2 -0.162 3.799 3.960 0.001 0.000 0.214 343 G HA3 -0.162 3.799 3.960 0.001 0.000 0.214 343 G C 1.857 176.790 174.900 0.055 0.000 1.189 343 G CA 1.600 46.704 45.100 0.007 0.000 0.789 343 G HN 0.630 nan 8.290 nan 0.000 0.533 344 T N -1.142 113.458 114.554 0.076 0.000 2.759 344 T HA -0.172 4.178 4.350 0.001 0.000 0.269 344 T C 2.117 176.899 174.700 0.137 0.000 1.042 344 T CA 1.431 63.614 62.100 0.138 0.000 1.140 344 T CB -0.421 68.577 68.868 0.215 0.000 0.864 344 T HN 0.172 nan 8.240 nan 0.000 0.455 345 F N 1.751 121.686 119.950 -0.026 0.000 2.084 345 F HA 0.127 4.654 4.527 0.001 0.000 0.296 345 F C 2.070 177.780 175.800 -0.150 0.000 1.111 345 F CA 0.957 58.924 58.000 -0.055 0.000 1.224 345 F CB -0.306 38.645 39.000 -0.081 0.000 0.991 345 F HN 0.086 nan 8.300 nan 0.000 0.471 346 I N -0.438 120.079 120.570 -0.088 0.000 2.208 346 I HA -0.310 3.861 4.170 0.001 0.000 0.245 346 I C 2.251 178.273 176.117 -0.157 0.000 1.097 346 I CA 1.228 62.294 61.300 -0.390 0.000 1.363 346 I CB -0.584 37.178 38.000 -0.397 0.000 1.051 346 I HN 0.025 nan 8.210 nan 0.000 0.413 347 V N 1.040 120.956 119.914 0.004 0.000 2.295 347 V HA -0.289 3.831 4.120 0.001 0.000 0.246 347 V C 2.314 178.291 176.094 -0.196 0.000 1.049 347 V CA 1.897 64.216 62.300 0.032 0.000 1.024 347 V CB -0.439 31.453 31.823 0.115 0.000 0.648 347 V HN 0.337 nan 8.190 nan 0.000 0.447 348 I N 0.823 121.272 120.570 -0.201 0.000 2.208 348 I HA -0.285 3.885 4.170 0.001 0.000 0.245 348 I C 2.626 178.538 176.117 -0.343 0.000 1.097 348 I CA 1.995 63.136 61.300 -0.265 0.000 1.363 348 I CB -0.954 36.914 38.000 -0.219 0.000 1.051 348 I HN 0.535 nan 8.210 nan 0.000 0.413 349 D N 0.847 121.018 120.400 -0.382 0.000 2.084 349 D HA -0.105 4.535 4.640 0.001 0.000 0.194 349 D C 2.313 178.468 176.300 -0.242 0.000 0.990 349 D CA 1.551 55.367 54.000 -0.305 0.000 0.826 349 D CB -0.622 40.058 40.800 -0.198 0.000 0.971 349 D HN 0.439 nan 8.370 nan 0.000 0.453 350 A N -0.132 122.534 122.820 -0.257 0.000 1.892 350 A HA -0.128 4.192 4.320 0.001 0.000 0.218 350 A C 2.305 179.606 177.584 -0.471 0.000 1.188 350 A CA 2.640 54.442 52.037 -0.391 0.000 0.631 350 A CB -0.470 17.925 19.000 -1.009 0.000 0.822 350 A HN 0.459 nan 8.150 nan 0.000 0.447 351 M N -1.390 117.926 119.600 -0.474 0.000 2.319 351 M HA 0.044 4.525 4.480 0.001 0.000 0.265 351 M C 2.217 178.318 176.300 -0.332 0.000 1.068 351 M CA 1.120 56.174 55.300 -0.410 0.000 1.118 351 M CB -1.167 31.215 32.600 -0.364 0.000 1.395 351 M HN 0.464 nan 8.290 nan 0.000 0.435 352 M N -0.237 119.172 119.600 -0.319 0.000 2.117 352 M HA -0.160 4.321 4.480 0.001 0.000 0.262 352 M C 2.364 178.566 176.300 -0.163 0.000 1.065 352 M CA 1.829 56.968 55.300 -0.268 0.000 1.114 352 M CB -0.566 31.746 32.600 -0.481 0.000 1.361 352 M HN 0.301 nan 8.290 nan 0.000 0.408 353 A N 0.172 122.841 122.820 -0.251 0.000 1.873 353 A HA -0.260 4.060 4.320 0.001 0.000 0.218 353 A C 2.194 179.435 177.584 -0.571 0.000 1.193 353 A CA 2.104 53.971 52.037 -0.284 0.000 0.629 353 A CB -0.791 18.081 19.000 -0.212 0.000 0.826 353 A HN 0.556 nan 8.150 nan 0.000 0.447 354 M N -1.203 117.859 119.600 -0.896 0.000 2.117 354 M HA -0.164 4.316 4.480 0.001 0.000 0.262 354 M C 2.244 178.307 176.300 -0.394 0.000 1.065 354 M CA 1.856 56.586 55.300 -0.949 0.000 1.114 354 M CB -0.229 31.971 32.600 -0.667 0.000 1.361 354 M HN 0.492 nan 8.290 nan 0.000 0.408 355 M N -1.451 117.997 119.600 -0.253 0.000 2.067 355 M HA -0.261 4.219 4.480 0.001 0.000 0.260 355 M C 1.830 178.064 176.300 -0.109 0.000 1.069 355 M CA 1.816 57.026 55.300 -0.149 0.000 1.117 355 M CB -0.905 31.650 32.600 -0.076 0.000 1.334 355 M HN 0.336 nan 8.290 nan 0.000 0.407 356 H N -0.749 118.279 119.070 -0.070 0.000 2.567 356 H HA 0.031 4.587 4.556 0.001 0.000 0.276 356 H C 1.505 176.810 175.328 -0.038 0.000 1.016 356 H CA 0.848 56.882 56.048 -0.024 0.000 1.186 356 H CB 0.275 30.043 29.762 0.011 0.000 1.351 356 H HN 0.403 nan 8.280 nan 0.000 0.605 357 A N -0.341 122.492 122.820 0.022 0.000 2.016 357 A HA 0.100 4.420 4.320 0.001 0.000 0.202 357 A C 1.734 179.337 177.584 0.033 0.000 1.632 357 A CA 0.016 52.083 52.037 0.050 0.000 0.891 357 A CB 0.332 19.392 19.000 0.099 0.000 1.103 357 A HN 0.274 nan 8.150 nan 0.000 0.547 358 E N -1.016 119.178 120.200 -0.011 0.000 2.447 358 E HA 0.189 4.540 4.350 0.001 0.000 0.195 358 E C 1.029 177.616 176.600 -0.022 0.000 1.028 358 E CA 0.735 57.142 56.400 0.011 0.000 0.876 358 E CB 0.239 29.960 29.700 0.035 0.000 0.885 358 E HN 0.686 nan 8.360 nan 0.000 0.500 359 Q N -1.320 118.445 119.800 -0.059 0.000 2.452 359 Q HA -0.266 4.075 4.340 0.001 0.000 0.248 359 Q C 0.154 176.094 176.000 -0.101 0.000 0.874 359 Q CA 1.883 57.636 55.803 -0.082 0.000 1.208 359 Q CB -2.879 25.827 28.738 -0.053 0.000 1.569 359 Q HN 0.361 nan 8.270 nan 0.000 0.579 360 K N -1.231 119.117 120.400 -0.088 0.000 2.482 360 K HA 0.978 5.298 4.320 0.001 0.000 0.257 360 K C -0.521 176.024 176.600 -0.091 0.000 0.969 360 K CA -0.026 56.217 56.287 -0.073 0.000 0.842 360 K CB 2.076 34.566 32.500 -0.016 0.000 1.359 360 K HN 1.515 nan 8.250 nan 0.000 0.441 361 V N 1.630 121.498 119.914 -0.076 0.000 2.588 361 V HA 0.565 4.686 4.120 0.001 0.000 0.304 361 V C -1.530 174.555 176.094 -0.014 0.000 1.042 361 V CA -0.450 61.794 62.300 -0.094 0.000 0.877 361 V CB 1.842 33.574 31.823 -0.151 0.000 0.996 361 V HN 0.966 nan 8.190 nan 0.000 0.425 362 D N 4.739 125.141 120.400 0.004 0.000 2.443 362 D HA 0.218 4.858 4.640 0.001 0.000 0.281 362 D C 0.852 177.226 176.300 0.123 0.000 1.210 362 D CA -0.098 53.967 54.000 0.109 0.000 0.875 362 D CB 1.700 42.596 40.800 0.160 0.000 1.125 362 D HN 0.327 nan 8.370 nan 0.000 0.503 363 V N 2.097 122.029 119.914 0.030 0.000 2.392 363 V HA -0.225 3.896 4.120 0.001 0.000 0.249 363 V C 2.075 178.319 176.094 0.250 0.000 1.059 363 V CA 1.435 63.730 62.300 -0.008 0.000 1.051 363 V CB -0.646 30.923 31.823 -0.424 0.000 0.658 363 V HN 0.476 nan 8.190 nan 0.000 0.455 364 F N 1.790 121.871 119.950 0.218 0.000 2.163 364 F HA -0.085 4.443 4.527 0.001 0.000 0.297 364 F C 2.442 178.349 175.800 0.178 0.000 1.094 364 F CA 1.910 60.050 58.000 0.233 0.000 1.290 364 F CB -0.447 38.632 39.000 0.132 0.000 1.017 364 F HN 0.228 nan 8.300 nan 0.000 0.483 365 E N 0.016 120.401 120.200 0.309 0.000 2.204 365 E HA -0.195 4.156 4.350 0.001 0.000 0.194 365 E C 1.807 178.479 176.600 0.120 0.000 0.989 365 E CA 1.357 57.870 56.400 0.190 0.000 0.824 365 E CB -1.454 28.397 29.700 0.252 0.000 0.756 365 E HN 0.568 nan 8.360 nan 0.000 0.477 366 F N 0.396 120.360 119.950 0.023 0.000 2.147 366 F HA 0.000 4.528 4.527 0.001 0.000 0.291 366 F C 2.460 178.246 175.800 -0.024 0.000 1.093 366 F CA 1.277 59.285 58.000 0.013 0.000 1.263 366 F CB -0.170 38.847 39.000 0.028 0.000 1.036 366 F HN 0.069 nan 8.300 nan 0.000 0.481 367 V N 0.485 120.423 119.914 0.041 0.000 2.324 367 V HA -0.352 3.768 4.120 0.001 0.000 0.250 367 V C 2.902 178.867 176.094 -0.215 0.000 1.060 367 V CA 2.227 64.491 62.300 -0.061 0.000 1.042 367 V CB -1.796 30.097 31.823 0.118 0.000 0.650 367 V HN 0.576 nan 8.190 nan 0.000 0.450 368 S N 0.170 115.695 115.700 -0.291 0.000 2.365 368 S HA -0.314 4.156 4.470 0.001 0.000 0.225 368 S C 2.300 176.762 174.600 -0.231 0.000 1.039 368 S CA 2.978 60.991 58.200 -0.312 0.000 1.033 368 S CB -0.612 62.356 63.200 -0.387 0.000 0.887 368 S HN 0.581 nan 8.310 nan 0.000 0.447 369 R N 1.371 121.726 120.500 -0.242 0.000 2.070 369 R HA 0.135 4.476 4.340 0.001 0.000 0.233 369 R C 2.354 178.483 176.300 -0.285 0.000 1.137 369 R CA 1.661 57.616 56.100 -0.240 0.000 0.945 369 R CB -1.763 28.391 30.300 -0.243 0.000 0.845 369 R HN 1.129 nan 8.270 nan 0.000 0.430 370 I N -1.712 118.599 120.570 -0.432 0.000 2.614 370 I HA -0.092 4.078 4.170 0.001 0.000 0.258 370 I C 2.253 178.255 176.117 -0.191 0.000 1.189 370 I CA 1.321 62.419 61.300 -0.337 0.000 1.462 370 I CB -0.208 37.543 38.000 -0.416 0.000 1.092 370 I HN 0.180 nan 8.210 nan 0.000 0.442 371 R N 1.286 121.675 120.500 -0.185 0.000 2.148 371 R HA -0.042 4.298 4.340 0.001 0.000 0.227 371 R C 1.352 177.579 176.300 -0.122 0.000 1.103 371 R CA 1.335 57.349 56.100 -0.143 0.000 0.983 371 R CB -0.436 29.770 30.300 -0.155 0.000 0.874 371 R HN 0.454 nan 8.270 nan 0.000 0.451 372 N N 0.597 119.224 118.700 -0.122 0.000 2.571 372 N HA -0.076 4.665 4.740 0.001 0.000 0.189 372 N C 1.006 176.470 175.510 -0.076 0.000 1.154 372 N CA 0.740 53.732 53.050 -0.097 0.000 0.907 372 N CB 0.249 38.676 38.487 -0.099 0.000 0.977 372 N HN 0.375 nan 8.380 nan 0.000 0.449 373 Q N -0.621 119.140 119.800 -0.065 0.000 2.442 373 Q HA 0.195 4.535 4.340 0.001 0.000 0.228 373 Q C 0.408 176.399 176.000 -0.015 0.000 0.902 373 Q CA 0.232 56.025 55.803 -0.017 0.000 0.933 373 Q CB 1.006 29.745 28.738 0.003 0.000 1.071 373 Q HN 0.099 nan 8.270 nan 0.000 0.562 374 R N 1.661 122.141 120.500 -0.033 0.000 2.569 374 R HA 0.282 4.622 4.340 0.001 0.000 0.293 374 R C -2.918 173.356 176.300 -0.044 0.000 1.186 374 R CA -1.841 54.251 56.100 -0.014 0.000 0.956 374 R CB 1.599 31.895 30.300 -0.007 0.000 1.196 374 R HN -0.128 nan 8.270 nan 0.000 0.444 375 P HA -0.031 nan 4.420 nan 0.000 0.270 375 P C -0.810 176.421 177.300 -0.115 0.000 1.223 375 P CA 0.514 63.508 63.100 -0.176 0.000 0.785 375 P CB 0.613 32.042 31.700 -0.451 0.000 0.923 376 Q N -1.699 118.033 119.800 -0.114 0.000 2.503 376 Q HA -0.202 4.138 4.340 0.001 0.000 0.267 376 Q C 1.058 177.055 176.000 -0.005 0.000 1.030 376 Q CA 0.159 55.939 55.803 -0.039 0.000 1.041 376 Q CB -1.681 27.058 28.738 0.002 0.000 1.406 376 Q HN 0.363 nan 8.270 nan 0.000 0.524 377 M N -0.167 119.420 119.600 -0.021 0.000 2.082 377 M HA -0.079 4.402 4.480 0.001 0.000 0.258 377 M C 0.899 177.229 176.300 0.050 0.000 1.071 377 M CA 1.628 56.927 55.300 -0.002 0.000 1.103 377 M CB -0.268 32.315 32.600 -0.028 0.000 1.307 377 M HN 0.178 nan 8.290 nan 0.000 0.409 378 V N 0.860 120.851 119.914 0.129 0.000 2.439 378 V HA 0.099 4.219 4.120 0.001 0.000 0.282 378 V C 1.121 177.381 176.094 0.277 0.000 1.039 378 V CA -0.376 62.049 62.300 0.208 0.000 0.913 378 V CB 1.638 33.662 31.823 0.334 0.000 0.983 378 V HN 0.373 nan 8.190 nan 0.000 0.460 379 Q N 2.324 122.221 119.800 0.161 0.000 2.391 379 Q HA 0.220 4.561 4.340 0.001 0.000 0.211 379 Q C 0.845 176.939 176.000 0.157 0.000 0.908 379 Q CA 0.897 56.794 55.803 0.157 0.000 0.920 379 Q CB 0.989 29.744 28.738 0.029 0.000 1.056 379 Q HN 1.012 nan 8.270 nan 0.000 0.523 380 T N -1.584 112.933 114.554 -0.061 0.000 2.906 380 T HA 0.438 4.788 4.350 0.001 0.000 0.295 380 T C 0.623 174.841 174.700 -0.802 0.000 1.061 380 T CA 0.081 62.036 62.100 -0.242 0.000 1.000 380 T CB 0.879 69.687 68.868 -0.101 0.000 1.103 380 T HN 0.004 nan 8.240 nan 0.000 0.486 381 D N 0.689 120.673 120.400 -0.693 0.000 2.104 381 D HA 0.081 4.722 4.640 0.001 0.000 0.194 381 D C 2.487 178.643 176.300 -0.241 0.000 0.994 381 D CA 3.613 57.272 54.000 -0.568 0.000 0.830 381 D CB -0.906 39.798 40.800 -0.159 0.000 0.959 381 D HN 1.007 nan 8.370 nan 0.000 0.452 382 M N -0.405 119.118 119.600 -0.129 0.000 2.279 382 M HA -0.019 4.461 4.480 0.001 0.000 0.264 382 M C 2.231 178.542 176.300 0.019 0.000 1.062 382 M CA 2.381 57.667 55.300 -0.024 0.000 1.099 382 M CB -1.187 31.407 32.600 -0.010 0.000 1.394 382 M HN 0.537 nan 8.290 nan 0.000 0.426 383 Q N -1.638 118.145 119.800 -0.029 0.000 2.083 383 Q HA -0.109 4.231 4.340 0.001 0.000 0.198 383 Q C 2.068 178.157 176.000 0.148 0.000 0.969 383 Q CA 1.699 57.536 55.803 0.057 0.000 0.838 383 Q CB -0.280 28.477 28.738 0.032 0.000 0.900 383 Q HN 0.898 nan 8.270 nan 0.000 0.436 384 Y N 1.175 121.418 120.300 -0.096 0.000 2.145 384 Y HA -0.256 4.294 4.550 0.001 0.000 0.286 384 Y C 2.628 178.642 175.900 0.190 0.000 1.145 384 Y CA 2.140 60.262 58.100 0.037 0.000 1.148 384 Y CB -0.612 37.811 38.460 -0.062 0.000 0.981 384 Y HN 0.249 nan 8.280 nan 0.000 0.507 385 T N -0.586 114.105 114.554 0.228 0.000 2.720 385 T HA -0.320 4.031 4.350 0.001 0.000 0.268 385 T C 1.798 176.600 174.700 0.170 0.000 1.037 385 T CA 1.841 64.046 62.100 0.175 0.000 1.144 385 T CB -1.160 67.775 68.868 0.112 0.000 0.864 385 T HN 0.421 nan 8.240 nan 0.000 0.444 386 F N 1.213 121.172 119.950 0.015 0.000 2.171 386 F HA 0.013 4.541 4.527 0.001 0.000 0.300 386 F C 2.069 177.845 175.800 -0.040 0.000 1.090 386 F CA 0.798 58.782 58.000 -0.027 0.000 1.293 386 F CB -0.151 38.815 39.000 -0.057 0.000 1.013 386 F HN 0.245 nan 8.300 nan 0.000 0.486 387 I N -0.894 119.739 120.570 0.104 0.000 2.208 387 I HA -0.367 3.803 4.170 0.001 0.000 0.245 387 I C 1.974 177.950 176.117 -0.234 0.000 1.097 387 I CA 1.534 62.775 61.300 -0.099 0.000 1.363 387 I CB -0.657 37.223 38.000 -0.199 0.000 1.051 387 I HN 0.146 nan 8.210 nan 0.000 0.413 388 Y N 0.933 121.115 120.300 -0.196 0.000 2.200 388 Y HA -0.237 4.313 4.550 0.001 0.000 0.290 388 Y C 2.784 178.585 175.900 -0.166 0.000 1.137 388 Y CA 1.427 59.427 58.100 -0.167 0.000 1.163 388 Y CB -0.417 37.963 38.460 -0.135 0.000 0.988 388 Y HN 0.156 nan 8.280 nan 0.000 0.518 389 Q N -0.446 119.322 119.800 -0.054 0.000 2.061 389 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 389 Q C 2.567 178.444 176.000 -0.206 0.000 0.984 389 Q CA 1.550 57.267 55.803 -0.144 0.000 0.846 389 Q CB -0.427 28.169 28.738 -0.236 0.000 0.902 389 Q HN 0.530 nan 8.270 nan 0.000 0.421 390 A N 0.867 123.461 122.820 -0.377 0.000 1.883 390 A HA -0.187 4.134 4.320 0.001 0.000 0.217 390 A C 2.090 179.612 177.584 -0.104 0.000 1.186 390 A CA 1.242 53.103 52.037 -0.293 0.000 0.624 390 A CB -0.786 17.983 19.000 -0.386 0.000 0.822 390 A HN 0.305 nan 8.150 nan 0.000 0.444 391 L N -1.198 119.954 121.223 -0.119 0.000 2.042 391 L HA -0.195 4.145 4.340 0.001 0.000 0.210 391 L C 2.583 179.486 176.870 0.055 0.000 1.076 391 L CA 1.282 56.096 54.840 -0.043 0.000 0.749 391 L CB -0.500 41.469 42.059 -0.151 0.000 0.893 391 L HN 0.488 nan 8.230 nan 0.000 0.432 392 L N 0.213 121.453 121.223 0.028 0.000 1.994 392 L HA -0.221 4.120 4.340 0.001 0.000 0.208 392 L C 2.471 179.369 176.870 0.047 0.000 1.071 392 L CA 1.903 56.777 54.840 0.056 0.000 0.745 392 L CB -0.581 41.498 42.059 0.034 0.000 0.892 392 L HN 0.192 nan 8.230 nan 0.000 0.431 393 E N -1.052 119.177 120.200 0.050 0.000 2.086 393 E HA -0.366 3.985 4.350 0.001 0.000 0.200 393 E C 2.182 178.863 176.600 0.135 0.000 1.012 393 E CA 2.106 58.577 56.400 0.118 0.000 0.812 393 E CB -0.691 29.090 29.700 0.135 0.000 0.743 393 E HN 0.621 nan 8.360 nan 0.000 0.453 394 Y N -0.690 119.624 120.300 0.022 0.000 2.497 394 Y HA -0.123 4.427 4.550 0.001 0.000 0.292 394 Y C 1.677 177.592 175.900 0.026 0.000 1.137 394 Y CA 1.348 59.465 58.100 0.027 0.000 1.285 394 Y CB -0.199 38.260 38.460 -0.001 0.000 0.991 394 Y HN 0.269 nan 8.280 nan 0.000 0.556 395 Y N -0.510 119.663 120.300 -0.211 0.000 2.222 395 Y HA -0.031 4.520 4.550 0.001 0.000 0.290 395 Y C 1.993 177.689 175.900 -0.339 0.000 1.123 395 Y CA 1.449 59.361 58.100 -0.314 0.000 1.120 395 Y CB -0.689 37.654 38.460 -0.195 0.000 1.060 395 Y HN -0.014 nan 8.280 nan 0.000 0.508 396 L N -0.748 120.176 121.223 -0.498 0.000 1.990 396 L HA -0.286 4.054 4.340 0.001 0.000 0.213 396 L C 1.995 178.412 176.870 -0.755 0.000 1.072 396 L CA 2.229 56.600 54.840 -0.782 0.000 0.755 396 L CB -0.949 40.528 42.059 -0.970 0.000 0.889 396 L HN 0.340 nan 8.230 nan 0.000 0.432 397 Y N -1.413 118.764 120.300 -0.205 0.000 2.558 397 Y HA 0.214 4.765 4.550 0.001 0.000 0.273 397 Y C 2.283 178.032 175.900 -0.251 0.000 1.100 397 Y CA 0.024 57.993 58.100 -0.218 0.000 1.276 397 Y CB -0.532 37.926 38.460 -0.003 0.000 1.196 397 Y HN 0.199 nan 8.280 nan 0.000 0.527 398 G N 1.616 110.341 108.800 -0.126 0.000 2.787 398 G HA2 -0.516 3.445 3.960 0.001 0.000 0.374 398 G HA3 -0.516 3.445 3.960 0.001 0.000 0.374 398 G C 0.476 175.310 174.900 -0.110 0.000 1.003 398 G CA 1.219 46.151 45.100 -0.280 0.000 0.833 398 G HN 0.506 nan 8.290 nan 0.000 0.824 399 D N 0.159 120.466 120.400 -0.155 0.000 2.435 399 D HA 0.522 5.162 4.640 0.001 0.000 0.230 399 D C 1.361 177.629 176.300 -0.054 0.000 1.215 399 D CA 0.996 54.968 54.000 -0.048 0.000 0.947 399 D CB -0.490 40.288 40.800 -0.036 0.000 1.048 399 D HN 1.090 nan 8.370 nan 0.000 0.512 400 T N -3.509 111.043 114.554 -0.003 0.000 3.058 400 T HA 0.472 4.822 4.350 0.001 0.000 0.278 400 T C 0.932 175.705 174.700 0.121 0.000 0.974 400 T CA 0.737 62.851 62.100 0.024 0.000 0.893 400 T CB 0.003 68.834 68.868 -0.062 0.000 1.138 400 T HN 0.745 nan 8.240 nan 0.000 0.529 401 E N 1.706 121.975 120.200 0.115 0.000 2.390 401 E HA 0.711 5.062 4.350 0.001 0.000 0.261 401 E C -0.236 176.419 176.600 0.091 0.000 1.076 401 E CA -0.554 55.913 56.400 0.112 0.000 0.905 401 E CB 0.457 30.226 29.700 0.114 0.000 0.984 401 E HN 0.894 nan 8.360 nan 0.000 0.427 402 L N -2.036 119.235 121.223 0.079 0.000 2.518 402 L HA 0.810 5.150 4.340 0.001 0.000 0.257 402 L C -0.397 176.504 176.870 0.051 0.000 0.980 402 L CA -0.317 54.564 54.840 0.069 0.000 0.837 402 L CB 2.040 44.152 42.059 0.087 0.000 1.410 402 L HN 0.658 nan 8.230 nan 0.000 0.410 403 D N 1.429 121.855 120.400 0.045 0.000 2.225 403 D HA 0.566 5.206 4.640 0.001 0.000 0.249 403 D C 1.175 177.494 176.300 0.032 0.000 1.052 403 D CA 0.051 54.073 54.000 0.036 0.000 0.909 403 D CB 1.818 42.638 40.800 0.032 0.000 1.186 403 D HN 1.114 nan 8.370 nan 0.000 0.431 404 V N 0.249 120.179 119.914 0.027 0.000 2.688 404 V HA 0.094 4.215 4.120 0.001 0.000 0.256 404 V C 2.816 178.925 176.094 0.025 0.000 1.084 404 V CA 3.373 65.689 62.300 0.027 0.000 1.103 404 V CB -1.340 30.501 31.823 0.030 0.000 0.688 404 V HN 0.951 nan 8.190 nan 0.000 0.480 405 S N 0.517 116.231 115.700 0.023 0.000 2.353 405 S HA 0.096 4.567 4.470 0.001 0.000 0.222 405 S C 1.789 176.403 174.600 0.022 0.000 1.035 405 S CA 1.795 60.006 58.200 0.019 0.000 1.025 405 S CB -0.762 62.449 63.200 0.018 0.000 0.902 405 S HN 1.424 nan 8.310 nan 0.000 0.440 426 L N 2.415 123.636 121.223 -0.004 0.000 2.313 426 L HA 0.329 4.670 4.340 0.001 0.000 0.214 426 L C 3.043 180.012 176.870 0.165 0.000 1.119 426 L CA 2.266 57.169 54.840 0.106 0.000 0.809 426 L CB -0.865 41.228 42.059 0.056 0.000 0.933 426 L HN 0.463 nan 8.230 nan 0.000 0.449 427 E N 0.980 121.237 120.200 0.095 0.000 2.033 427 E HA -0.308 4.042 4.350 0.001 0.000 0.199 427 E C 2.254 178.933 176.600 0.131 0.000 1.011 427 E CA 2.189 58.653 56.400 0.107 0.000 0.815 427 E CB -1.243 28.494 29.700 0.063 0.000 0.755 427 E HN 0.618 nan 8.360 nan 0.000 0.451 428 E N 0.075 120.325 120.200 0.083 0.000 2.058 428 E HA -0.099 4.251 4.350 0.001 0.000 0.194 428 E C 2.340 178.986 176.600 0.075 0.000 0.997 428 E CA 2.774 59.209 56.400 0.059 0.000 0.801 428 E CB -1.436 28.274 29.700 0.016 0.000 0.746 428 E HN 0.931 nan 8.360 nan 0.000 0.450 429 E N -0.577 119.685 120.200 0.103 0.000 2.118 429 E HA -0.101 4.249 4.350 0.001 0.000 0.195 429 E C 1.867 178.568 176.600 0.167 0.000 0.992 429 E CA 1.390 57.887 56.400 0.161 0.000 0.804 429 E CB -0.854 29.033 29.700 0.311 0.000 0.741 429 E HN 0.689 nan 8.360 nan 0.000 0.458 430 F N 1.179 121.067 119.950 -0.103 0.000 2.259 430 F HA 0.099 4.627 4.527 0.001 0.000 0.298 430 F C 2.925 178.678 175.800 -0.077 0.000 1.088 430 F CA 2.034 59.890 58.000 -0.241 0.000 1.358 430 F CB -0.446 38.407 39.000 -0.244 0.000 1.040 430 F HN 0.305 nan 8.300 nan 0.000 0.505 431 R N 0.927 121.430 120.500 0.005 0.000 2.083 431 R HA -0.172 4.168 4.340 0.001 0.000 0.237 431 R C 2.162 178.417 176.300 -0.074 0.000 1.137 431 R CA 2.080 58.153 56.100 -0.046 0.000 0.951 431 R CB -1.445 28.874 30.300 0.031 0.000 0.851 431 R HN 0.425 nan 8.270 nan 0.000 0.434 432 K N 0.300 120.714 120.400 0.023 0.000 1.991 432 K HA 0.000 4.321 4.320 0.001 0.000 0.212 432 K C 2.335 178.947 176.600 0.021 0.000 1.049 432 K CA 1.543 57.906 56.287 0.125 0.000 0.932 432 K CB -0.438 32.234 32.500 0.286 0.000 0.717 432 K HN 0.278 nan 8.250 nan 0.000 0.441 433 L N 0.913 122.092 121.223 -0.073 0.000 2.089 433 L HA -0.256 4.085 4.340 0.001 0.000 0.213 433 L C 2.323 178.981 176.870 -0.352 0.000 1.079 433 L CA 1.485 56.132 54.840 -0.321 0.000 0.758 433 L CB -0.720 41.050 42.059 -0.482 0.000 0.891 433 L HN 0.327 nan 8.230 nan 0.000 0.433 434 T N -0.844 113.448 114.554 -0.435 0.000 2.995 434 T HA -0.068 4.283 4.350 0.001 0.000 0.269 434 T C 1.283 175.887 174.700 -0.159 0.000 1.091 434 T CA 0.787 62.678 62.100 -0.348 0.000 1.128 434 T CB -0.167 68.456 68.868 -0.409 0.000 0.891 434 T HN 0.289 nan 8.240 nan 0.000 0.492 435 N N 0.845 119.484 118.700 -0.102 0.000 2.383 435 N HA 0.102 4.842 4.740 0.001 0.000 0.192 435 N C -0.225 175.275 175.510 -0.015 0.000 1.141 435 N CA -0.024 53.009 53.050 -0.028 0.000 0.851 435 N CB 0.080 38.581 38.487 0.023 0.000 0.976 435 N HN 0.169 nan 8.380 nan 0.000 0.465 436 V N 2.125 121.997 119.914 -0.069 0.000 2.434 436 V HA 0.123 4.243 4.120 0.001 0.000 0.281 436 V C 1.160 177.230 176.094 -0.041 0.000 1.005 436 V CA -0.154 62.107 62.300 -0.065 0.000 1.089 436 V CB -0.709 31.039 31.823 -0.124 0.000 0.978 436 V HN 0.385 nan 8.190 nan 0.000 0.474 437 R N 5.935 126.431 120.500 -0.006 0.000 2.623 437 R HA 0.338 4.679 4.340 0.001 0.000 0.271 437 R C -0.101 176.215 176.300 0.026 0.000 1.043 437 R CA 0.019 56.124 56.100 0.009 0.000 1.083 437 R CB -0.232 30.079 30.300 0.018 0.000 0.974 437 R HN 0.752 nan 8.270 nan 0.000 0.436 438 I N 2.408 123.006 120.570 0.046 0.000 2.312 438 I HA 0.215 4.385 4.170 0.001 0.000 0.291 438 I C 1.471 177.697 176.117 0.181 0.000 1.031 438 I CA -0.168 61.212 61.300 0.133 0.000 1.293 438 I CB 1.411 39.445 38.000 0.056 0.000 1.403 438 I HN 0.865 nan 8.210 nan 0.000 0.484 439 M N 5.645 125.394 119.600 0.249 0.000 3.447 439 M HA 0.160 4.641 4.480 0.001 0.000 0.217 439 M C 1.304 177.766 176.300 0.269 0.000 1.597 439 M CA 0.627 56.008 55.300 0.136 0.000 1.695 439 M CB -1.623 30.877 32.600 -0.168 0.000 1.196 439 M HN 0.824 nan 8.290 nan 0.000 0.538 440 K N 0.192 120.700 120.400 0.179 0.000 2.211 440 K HA 0.155 4.475 4.320 0.001 0.000 0.203 440 K C 2.031 178.700 176.600 0.114 0.000 1.050 440 K CA 2.059 58.431 56.287 0.142 0.000 0.945 440 K CB -1.415 31.139 32.500 0.090 0.000 0.732 440 K HN 1.126 nan 8.250 nan 0.000 0.451 441 E N 0.405 120.662 120.200 0.096 0.000 2.049 441 E HA -0.198 4.153 4.350 0.001 0.000 0.198 441 E C 1.917 178.578 176.600 0.102 0.000 1.007 441 E CA 1.717 58.165 56.400 0.079 0.000 0.809 441 E CB -1.713 28.022 29.700 0.058 0.000 0.749 441 E HN 0.946 nan 8.360 nan 0.000 0.450 442 N N -0.333 118.451 118.700 0.140 0.000 2.441 442 N HA 0.420 5.160 4.740 0.001 0.000 0.225 442 N C 0.969 176.628 175.510 0.249 0.000 1.208 442 N CA 0.643 53.801 53.050 0.181 0.000 0.847 442 N CB -0.458 38.131 38.487 0.170 0.000 1.121 442 N HN 0.456 nan 8.380 nan 0.000 0.479 443 M N -0.372 119.334 119.600 0.176 0.000 2.785 443 M HA 0.168 4.649 4.480 0.001 0.000 0.374 443 M C 2.245 178.579 176.300 0.057 0.000 1.221 443 M CA -0.121 55.251 55.300 0.119 0.000 0.912 443 M CB 0.818 33.466 32.600 0.081 0.000 1.355 443 M HN 0.529 nan 8.290 nan 0.000 0.513 444 R N 0.662 121.198 120.500 0.061 0.000 2.109 444 R HA -0.106 4.234 4.340 0.001 0.000 0.227 444 R C 1.799 178.093 176.300 -0.010 0.000 1.132 444 R CA 2.734 58.851 56.100 0.030 0.000 0.907 444 R CB -2.137 28.189 30.300 0.045 0.000 0.825 444 R HN 0.410 nan 8.270 nan 0.000 0.432 445 T N -0.099 114.459 114.554 0.006 0.000 2.624 445 T HA -0.213 4.137 4.350 0.001 0.000 0.266 445 T C 2.148 176.692 174.700 -0.260 0.000 1.050 445 T CA 1.976 64.049 62.100 -0.045 0.000 1.163 445 T CB -0.959 67.945 68.868 0.061 0.000 0.861 445 T HN 0.773 nan 8.240 nan 0.000 0.443 446 G N 1.060 109.744 108.800 -0.194 0.000 2.498 446 G HA2 -0.168 3.792 3.960 0.001 0.000 0.219 446 G HA3 -0.168 3.792 3.960 0.001 0.000 0.219 446 G C 1.465 176.208 174.900 -0.263 0.000 1.119 446 G CA 0.445 45.355 45.100 -0.316 0.000 0.766 446 G HN 0.492 nan 8.290 nan 0.000 0.552 447 N N -0.248 118.350 118.700 -0.169 0.000 2.250 447 N HA 0.092 4.832 4.740 0.001 0.000 0.190 447 N C 1.308 176.734 175.510 -0.140 0.000 1.116 447 N CA 0.302 53.278 53.050 -0.124 0.000 0.881 447 N CB 0.246 38.697 38.487 -0.060 0.000 1.006 447 N HN 0.306 nan 8.380 nan 0.000 0.491 448 L N 1.990 123.118 121.223 -0.160 0.000 2.543 448 L HA 0.062 4.402 4.340 0.001 0.000 0.285 448 L C -0.853 175.867 176.870 -0.250 0.000 1.236 448 L CA -0.430 54.315 54.840 -0.159 0.000 0.871 448 L CB -1.294 40.703 42.059 -0.105 0.000 1.121 448 L HN -0.046 nan 8.230 nan 0.000 0.501 449 P HA -0.195 nan 4.420 nan 0.000 0.214 449 P C 1.915 179.030 177.300 -0.308 0.000 1.163 449 P CA 2.416 65.374 63.100 -0.236 0.000 0.889 449 P CB 0.130 31.711 31.700 -0.197 0.000 0.790 450 A N -0.326 122.181 122.820 -0.522 0.000 1.948 450 A HA -0.244 4.076 4.320 0.001 0.000 0.220 450 A C 2.015 179.421 177.584 -0.296 0.000 1.177 450 A CA 2.088 53.834 52.037 -0.485 0.000 0.636 450 A CB -1.446 17.014 19.000 -0.901 0.000 0.815 450 A HN 0.166 nan 8.150 nan 0.000 0.449 451 N N -1.171 117.316 118.700 -0.355 0.000 2.463 451 N HA -0.010 4.730 4.740 0.001 0.000 0.181 451 N C 1.882 177.257 175.510 -0.226 0.000 1.078 451 N CA 1.462 54.304 53.050 -0.347 0.000 0.902 451 N CB -0.509 37.479 38.487 -0.832 0.000 0.970 451 N HN 0.579 nan 8.380 nan 0.000 0.451 452 M N 1.320 120.808 119.600 -0.186 0.000 2.065 452 M HA -0.131 4.350 4.480 0.001 0.000 0.259 452 M C 2.559 178.842 176.300 -0.029 0.000 1.071 452 M CA 2.760 57.997 55.300 -0.104 0.000 1.109 452 M CB -2.036 30.503 32.600 -0.101 0.000 1.313 452 M HN 0.376 nan 8.290 nan 0.000 0.408 453 K N 1.013 121.400 120.400 -0.021 0.000 2.360 453 K HA -0.129 4.192 4.320 0.001 0.000 0.201 453 K C 1.792 178.508 176.600 0.193 0.000 1.046 453 K CA 1.952 58.264 56.287 0.041 0.000 0.940 453 K CB -1.122 31.367 32.500 -0.018 0.000 0.748 453 K HN 0.870 nan 8.250 nan 0.000 0.465 454 K N -0.210 120.288 120.400 0.163 0.000 2.417 454 K HA 0.341 4.661 4.320 0.001 0.000 0.196 454 K C 0.124 176.773 176.600 0.082 0.000 1.023 454 K CA 0.267 56.649 56.287 0.158 0.000 1.122 454 K CB 0.752 33.372 32.500 0.200 0.000 0.850 454 K HN 0.336 nan 8.250 nan 0.000 0.521 455 A N 1.024 123.895 122.820 0.086 0.000 2.319 455 A HA 0.335 4.656 4.320 0.001 0.000 0.310 455 A C 0.458 178.052 177.584 0.017 0.000 1.152 455 A CA -0.733 51.332 52.037 0.047 0.000 0.783 455 A CB 0.899 19.945 19.000 0.077 0.000 1.184 455 A HN 0.155 nan 8.150 nan 0.000 0.474 456 R N 0.912 121.405 120.500 -0.012 0.000 2.103 456 R HA -0.090 4.250 4.340 0.001 0.000 0.242 456 R C -0.176 176.118 176.300 -0.011 0.000 1.142 456 R CA 1.580 57.673 56.100 -0.011 0.000 0.960 456 R CB -0.056 30.230 30.300 -0.023 0.000 0.858 456 R HN 0.476 nan 8.270 nan 0.000 0.439 457 V N 0.729 120.633 119.914 -0.017 0.000 2.357 457 V HA 0.164 4.284 4.120 0.001 0.000 0.281 457 V C 1.169 177.253 176.094 -0.017 0.000 1.015 457 V CA -0.121 62.165 62.300 -0.023 0.000 0.827 457 V CB 1.123 32.922 31.823 -0.040 0.000 1.018 457 V HN 0.225 nan 8.190 nan 0.000 0.432 458 I N 3.097 123.660 120.570 -0.012 0.000 3.102 458 I HA -0.075 4.095 4.170 0.001 0.000 0.278 458 I C 2.031 178.141 176.117 -0.012 0.000 1.316 458 I CA 2.470 63.764 61.300 -0.010 0.000 1.425 458 I CB -1.545 36.445 38.000 -0.017 0.000 1.073 458 I HN 0.860 nan 8.210 nan 0.000 0.503 459 Q N -0.153 119.637 119.800 -0.016 0.000 2.396 459 Q HA 0.462 4.803 4.340 0.001 0.000 0.220 459 Q C 1.133 177.143 176.000 0.017 0.000 0.900 459 Q CA 0.634 56.435 55.803 -0.003 0.000 0.925 459 Q CB 0.042 28.765 28.738 -0.025 0.000 1.065 459 Q HN 0.882 nan 8.270 nan 0.000 0.535 460 I N 1.241 121.808 120.570 -0.006 0.000 2.307 460 I HA 0.534 4.704 4.170 0.001 0.000 0.287 460 I C -0.762 175.329 176.117 -0.043 0.000 1.054 460 I CA -0.334 60.964 61.300 -0.002 0.000 1.218 460 I CB 0.822 38.815 38.000 -0.012 0.000 1.398 460 I HN 0.267 nan 8.210 nan 0.000 0.475 461 I N 7.688 128.206 120.570 -0.087 0.000 2.841 461 I HA 0.346 4.517 4.170 0.001 0.000 0.298 461 I C -2.495 173.513 176.117 -0.182 0.000 1.304 461 I CA -1.856 59.398 61.300 -0.076 0.000 1.019 461 I CB 3.743 41.730 38.000 -0.021 0.000 1.282 461 I HN 0.251 nan 8.210 nan 0.000 0.432 462 P HA 0.133 nan 4.420 nan 0.000 0.275 462 P C -1.274 175.902 177.300 -0.206 0.000 1.228 462 P CA 0.038 63.006 63.100 -0.220 0.000 0.786 462 P CB 0.345 31.940 31.700 -0.174 0.000 0.927 463 Y N 0.566 120.755 120.300 -0.184 0.000 2.397 463 Y HA -0.008 4.542 4.550 0.001 0.000 0.335 463 Y C 1.975 177.743 175.900 -0.221 0.000 1.213 463 Y CA 0.454 58.448 58.100 -0.177 0.000 1.391 463 Y CB -0.208 38.107 38.460 -0.241 0.000 1.293 463 Y HN 0.379 nan 8.280 nan 0.000 0.557 464 D N 1.391 121.869 120.400 0.130 0.000 2.218 464 D HA -0.189 4.452 4.640 0.001 0.000 0.204 464 D C 1.902 178.247 176.300 0.076 0.000 0.976 464 D CA 1.359 55.417 54.000 0.095 0.000 0.853 464 D CB -0.170 40.713 40.800 0.137 0.000 0.939 464 D HN 0.634 nan 8.370 nan 0.000 0.481 465 F N 1.287 121.288 119.950 0.084 0.000 2.128 465 F HA -0.033 4.495 4.527 0.001 0.000 0.295 465 F C 1.253 177.081 175.800 0.046 0.000 1.100 465 F CA 0.803 58.825 58.000 0.036 0.000 1.260 465 F CB -0.794 38.191 39.000 -0.026 0.000 1.009 465 F HN -0.145 nan 8.300 nan 0.000 0.476 466 N N 1.592 119.837 118.700 -0.758 0.000 2.321 466 N HA 0.057 4.797 4.740 0.001 0.000 0.242 466 N C -0.353 175.021 175.510 -0.226 0.000 1.141 466 N CA -0.574 52.271 53.050 -0.343 0.000 0.864 466 N CB -0.461 37.795 38.487 -0.384 0.000 1.100 466 N HN 0.597 nan 8.380 nan 0.000 0.510 467 R N -0.555 119.826 120.500 -0.198 0.000 2.490 467 R HA 0.414 4.754 4.340 0.001 0.000 0.278 467 R C -0.672 175.476 176.300 -0.252 0.000 1.069 467 R CA -0.663 55.306 56.100 -0.218 0.000 1.080 467 R CB 0.777 31.001 30.300 -0.126 0.000 1.030 467 R HN -0.187 nan 8.270 nan 0.000 0.491 468 V N 5.136 124.750 119.914 -0.500 0.000 2.479 468 V HA 0.127 4.247 4.120 0.001 0.000 0.281 468 V C 0.411 176.347 176.094 -0.264 0.000 1.031 468 V CA 0.225 62.112 62.300 -0.687 0.000 1.038 468 V CB 0.265 31.523 31.823 -0.941 0.000 0.981 468 V HN 0.600 nan 8.190 nan 0.000 0.478 469 I N 6.501 127.066 120.570 -0.009 0.000 2.474 469 I HA 0.502 4.672 4.170 0.001 0.000 0.294 469 I C -0.198 176.115 176.117 0.327 0.000 1.005 469 I CA -0.364 61.037 61.300 0.169 0.000 1.113 469 I CB 1.635 39.766 38.000 0.219 0.000 1.289 469 I HN 0.380 nan 8.210 nan 0.000 0.436 470 L N 3.439 124.787 121.223 0.209 0.000 2.298 470 L HA 0.645 4.986 4.340 0.001 0.000 0.268 470 L C 0.782 177.732 176.870 0.134 0.000 1.010 470 L CA -0.865 54.095 54.840 0.200 0.000 0.812 470 L CB 1.206 43.345 42.059 0.132 0.000 1.331 470 L HN 0.708 nan 8.230 nan 0.000 0.450 471 S N 0.498 116.255 115.700 0.096 0.000 2.549 471 S HA 0.570 5.041 4.470 0.001 0.000 0.279 471 S C 0.166 174.800 174.600 0.057 0.000 1.321 471 S CA 0.030 58.267 58.200 0.061 0.000 1.054 471 S CB 0.296 63.520 63.200 0.040 0.000 0.899 471 S HN 0.493 nan 8.310 nan 0.000 0.497 479 T N -0.352 114.297 114.554 0.158 0.000 3.160 479 T HA -0.085 4.265 4.350 0.001 0.000 0.257 479 T C 1.273 176.052 174.700 0.132 0.000 1.147 479 T CA 1.390 63.571 62.100 0.136 0.000 1.064 479 T CB -0.112 68.808 68.868 0.088 0.000 0.949 479 T HN 0.503 nan 8.240 nan 0.000 0.526 480 D N -0.131 120.355 120.400 0.145 0.000 2.336 480 D HA -0.057 4.584 4.640 0.001 0.000 0.229 480 D C 0.144 176.545 176.300 0.169 0.000 1.061 480 D CA -0.218 53.866 54.000 0.140 0.000 0.875 480 D CB -0.369 40.506 40.800 0.124 0.000 0.904 480 D HN 0.418 nan 8.370 nan 0.000 0.525 481 Y N 0.597 120.926 120.300 0.048 0.000 2.341 481 Y HA 0.542 5.092 4.550 0.001 0.000 0.337 481 Y C -1.113 174.777 175.900 -0.017 0.000 1.014 481 Y CA -1.459 56.651 58.100 0.017 0.000 1.111 481 Y CB 1.037 39.517 38.460 0.033 0.000 1.194 481 Y HN -0.092 nan 8.280 nan 0.000 0.462 482 I N 6.132 126.228 120.570 -0.788 0.000 2.607 482 I HA 0.247 4.417 4.170 0.001 0.000 0.290 482 I C -1.131 174.415 176.117 -0.951 0.000 1.129 482 I CA -0.871 60.002 61.300 -0.712 0.000 1.042 482 I CB 1.469 39.252 38.000 -0.361 0.000 1.242 482 I HN 0.716 nan 8.210 nan 0.000 0.421 483 N N 6.515 124.745 118.700 -0.783 0.000 2.484 483 N HA 0.377 5.118 4.740 0.001 0.000 0.295 483 N C -1.081 174.217 175.510 -0.354 0.000 1.240 483 N CA 0.448 53.206 53.050 -0.488 0.000 1.085 483 N CB -0.064 38.295 38.487 -0.214 0.000 1.465 483 N HN 0.642 nan 8.380 nan 0.000 0.496 484 A N 1.403 123.986 122.820 -0.394 0.000 2.555 484 A HA 0.604 4.924 4.320 0.001 0.000 0.297 484 A C -1.033 176.296 177.584 -0.424 0.000 1.060 484 A CA -0.754 51.057 52.037 -0.376 0.000 0.710 484 A CB 1.054 19.799 19.000 -0.424 0.000 1.282 484 A HN 0.317 nan 8.150 nan 0.000 0.399 485 S N 0.872 116.344 115.700 -0.379 0.000 2.521 485 S HA 0.725 5.196 4.470 0.001 0.000 0.295 485 S C -0.837 173.561 174.600 -0.336 0.000 1.098 485 S CA -0.329 57.661 58.200 -0.351 0.000 0.999 485 S CB 0.586 63.647 63.200 -0.233 0.000 1.034 485 S HN 0.473 nan 8.310 nan 0.000 0.483 486 F N 2.463 122.280 119.950 -0.222 0.000 2.484 486 F HA 0.390 4.917 4.527 0.001 0.000 0.360 486 F C 0.462 176.234 175.800 -0.047 0.000 1.101 486 F CA -0.207 57.699 58.000 -0.157 0.000 1.251 486 F CB 0.196 39.077 39.000 -0.198 0.000 1.132 486 F HN 0.312 nan 8.300 nan 0.000 0.570 487 I N 3.319 124.054 120.570 0.275 0.000 2.533 487 I HA 0.193 4.363 4.170 0.001 0.000 0.290 487 I C -0.833 175.483 176.117 0.331 0.000 1.056 487 I CA -1.072 60.380 61.300 0.254 0.000 1.057 487 I CB 1.804 39.931 38.000 0.212 0.000 1.240 487 I HN 0.362 nan 8.210 nan 0.000 0.423 488 D N 4.504 125.053 120.400 0.248 0.000 2.424 488 D HA 0.291 4.931 4.640 0.001 0.000 0.244 488 D C 0.422 176.920 176.300 0.330 0.000 1.134 488 D CA 0.345 54.474 54.000 0.215 0.000 0.881 488 D CB 1.384 42.264 40.800 0.133 0.000 1.191 488 D HN 0.674 nan 8.370 nan 0.000 0.445 489 G N 0.292 109.262 108.800 0.284 0.000 2.531 489 G HA2 0.100 4.060 3.960 0.001 0.000 0.281 489 G HA3 0.100 4.060 3.960 0.001 0.000 0.281 489 G C 0.257 175.254 174.900 0.162 0.000 1.382 489 G CA -0.331 44.970 45.100 0.335 0.000 1.045 489 G HN 0.534 nan 8.290 nan 0.000 0.533 490 Y N -0.537 119.756 120.300 -0.011 0.000 2.337 490 Y HA 0.134 4.685 4.550 0.001 0.000 0.293 490 Y C 2.721 178.529 175.900 -0.153 0.000 1.123 490 Y CA 1.423 59.482 58.100 -0.068 0.000 1.201 490 Y CB 0.246 38.667 38.460 -0.066 0.000 1.011 490 Y HN 0.352 nan 8.280 nan 0.000 0.545 491 R N -0.040 120.276 120.500 -0.306 0.000 2.279 491 R HA 0.171 4.511 4.340 0.001 0.000 0.195 491 R C -0.192 175.888 176.300 -0.367 0.000 0.905 491 R CA 0.439 56.282 56.100 -0.428 0.000 1.044 491 R CB 0.415 30.509 30.300 -0.343 0.000 1.056 491 R HN 0.376 nan 8.270 nan 0.000 0.535 492 Q N -0.589 119.008 119.800 -0.338 0.000 2.462 492 Q HA 0.530 4.870 4.340 0.001 0.000 0.285 492 Q C -1.239 174.685 176.000 -0.126 0.000 1.035 492 Q CA -0.933 54.727 55.803 -0.239 0.000 0.799 492 Q CB 1.154 29.746 28.738 -0.243 0.000 1.452 492 Q HN -0.126 nan 8.270 nan 0.000 0.404 493 K N 0.213 120.559 120.400 -0.090 0.000 2.149 493 K HA 0.137 4.458 4.320 0.001 0.000 0.245 493 K C 0.142 176.727 176.600 -0.024 0.000 1.024 493 K CA 0.453 56.715 56.287 -0.042 0.000 0.899 493 K CB -0.581 31.880 32.500 -0.065 0.000 1.038 493 K HN 0.797 nan 8.250 nan 0.000 0.496 494 D N -0.727 119.661 120.400 -0.020 0.000 2.706 494 D HA -0.198 4.442 4.640 0.001 0.000 0.230 494 D C 0.259 176.597 176.300 0.064 0.000 1.184 494 D CA 1.359 55.318 54.000 -0.069 0.000 0.628 494 D CB -1.072 39.375 40.800 -0.588 0.000 1.019 494 D HN 0.704 nan 8.370 nan 0.000 0.415 495 Y N -0.489 119.779 120.300 -0.053 0.000 2.490 495 Y HA 0.180 4.730 4.550 0.001 0.000 0.285 495 Y C 0.257 175.947 175.900 -0.349 0.000 1.117 495 Y CA 0.445 58.401 58.100 -0.240 0.000 1.262 495 Y CB 0.398 38.614 38.460 -0.407 0.000 1.043 495 Y HN -0.015 nan 8.280 nan 0.000 0.553 496 F N 0.260 120.221 119.950 0.018 0.000 2.546 496 F HA 0.468 4.995 4.527 0.001 0.000 0.320 496 F C -0.605 175.191 175.800 -0.007 0.000 1.076 496 F CA -1.248 56.713 58.000 -0.065 0.000 0.928 496 F CB 1.425 40.415 39.000 -0.017 0.000 1.189 496 F HN -0.448 nan 8.300 nan 0.000 0.465 497 I N 2.594 123.215 120.570 0.084 0.000 2.328 497 I HA 0.449 4.619 4.170 0.001 0.000 0.287 497 I C -0.333 175.727 176.117 -0.095 0.000 1.012 497 I CA -0.629 60.583 61.300 -0.147 0.000 1.195 497 I CB 1.246 39.052 38.000 -0.324 0.000 1.350 497 I HN 0.687 nan 8.210 nan 0.000 0.464 498 A N 5.134 127.887 122.820 -0.111 0.000 2.294 498 A HA 0.599 4.919 4.320 0.001 0.000 0.316 498 A C -0.050 177.456 177.584 -0.130 0.000 1.359 498 A CA -0.241 51.742 52.037 -0.090 0.000 0.956 498 A CB 0.606 19.559 19.000 -0.079 0.000 1.155 498 A HN 0.638 nan 8.150 nan 0.000 0.544 499 T N 1.283 115.783 114.554 -0.089 0.000 2.907 499 T HA 0.538 4.889 4.350 0.001 0.000 0.290 499 T C -0.009 174.670 174.700 -0.036 0.000 1.066 499 T CA -0.534 61.504 62.100 -0.105 0.000 1.012 499 T CB 1.074 69.863 68.868 -0.132 0.000 1.184 499 T HN 0.839 nan 8.240 nan 0.000 0.522 500 Q N 0.953 120.711 119.800 -0.070 0.000 2.317 500 Q HA 0.574 4.915 4.340 0.001 0.000 0.229 500 Q C 0.492 176.463 176.000 -0.047 0.000 0.984 500 Q CA -0.882 54.893 55.803 -0.045 0.000 0.911 500 Q CB 0.217 28.909 28.738 -0.076 0.000 1.217 500 Q HN 0.757 nan 8.270 nan 0.000 0.501 501 G N 1.857 110.665 108.800 0.013 0.000 2.343 501 G HA2 0.300 4.261 3.960 0.001 0.000 0.254 501 G HA3 0.300 4.261 3.960 0.001 0.000 0.254 501 G C -2.378 172.421 174.900 -0.167 0.000 1.277 501 G CA -1.034 44.057 45.100 -0.015 0.000 0.909 501 G HN 0.473 nan 8.290 nan 0.000 0.502 502 P HA 0.021 nan 4.420 nan 0.000 0.264 502 P C 0.240 177.428 177.300 -0.186 0.000 1.183 502 P CA 0.103 62.999 63.100 -0.339 0.000 0.763 502 P CB 0.636 32.012 31.700 -0.540 0.000 0.807 503 L N 2.093 123.146 121.223 -0.284 0.000 2.456 503 L HA 0.299 4.639 4.340 0.001 0.000 0.257 503 L C 1.843 178.400 176.870 -0.522 0.000 1.162 503 L CA -0.381 54.261 54.840 -0.329 0.000 0.808 503 L CB 0.301 42.046 42.059 -0.525 0.000 1.136 503 L HN 0.373 nan 8.230 nan 0.000 0.466 504 A N 0.241 122.711 122.820 -0.585 0.000 2.024 504 A HA -0.180 4.141 4.320 0.001 0.000 0.220 504 A C 1.538 178.741 177.584 -0.634 0.000 1.164 504 A CA 1.508 52.844 52.037 -1.169 0.000 0.643 504 A CB -0.793 17.834 19.000 -0.621 0.000 0.806 504 A HN 0.878 nan 8.150 nan 0.000 0.451 505 H N -1.312 117.536 119.070 -0.371 0.000 2.507 505 H HA 0.215 4.771 4.556 0.001 0.000 0.294 505 H C 0.588 175.813 175.328 -0.171 0.000 1.064 505 H CA 0.998 56.907 56.048 -0.231 0.000 1.138 505 H CB -0.689 28.986 29.762 -0.145 0.000 1.515 505 H HN 0.414 nan 8.280 nan 0.000 0.547 506 T N -2.717 111.597 114.554 -0.400 0.000 3.262 506 T HA 0.131 4.481 4.350 0.001 0.000 0.300 506 T C 1.522 176.128 174.700 -0.156 0.000 0.959 506 T CA 0.386 62.336 62.100 -0.250 0.000 0.936 506 T CB -0.522 68.177 68.868 -0.281 0.000 1.169 506 T HN 0.061 nan 8.240 nan 0.000 0.532 507 V N 0.623 120.417 119.914 -0.199 0.000 2.332 507 V HA 0.007 4.128 4.120 0.001 0.000 0.248 507 V C 3.063 179.246 176.094 0.148 0.000 1.055 507 V CA 2.340 64.611 62.300 -0.049 0.000 1.038 507 V CB -2.068 29.636 31.823 -0.198 0.000 0.651 507 V HN 0.689 nan 8.190 nan 0.000 0.450 508 E N 1.299 121.533 120.200 0.057 0.000 2.048 508 E HA -0.383 3.967 4.350 0.001 0.000 0.202 508 E C 1.754 178.451 176.600 0.161 0.000 1.021 508 E CA 2.186 58.671 56.400 0.141 0.000 0.825 508 E CB -1.218 28.520 29.700 0.063 0.000 0.756 508 E HN 0.750 nan 8.360 nan 0.000 0.454 509 D N -0.686 119.763 120.400 0.080 0.000 2.092 509 D HA -0.081 4.559 4.640 0.001 0.000 0.193 509 D C 1.738 178.063 176.300 0.041 0.000 0.994 509 D CA 1.258 55.288 54.000 0.050 0.000 0.828 509 D CB -0.759 40.041 40.800 -0.000 0.000 0.963 509 D HN 0.447 nan 8.370 nan 0.000 0.450 510 F N 0.201 120.058 119.950 -0.155 0.000 2.032 510 F HA -0.279 4.248 4.527 0.001 0.000 0.297 510 F C 2.105 177.750 175.800 -0.258 0.000 1.125 510 F CA 1.876 59.685 58.000 -0.317 0.000 1.202 510 F CB -0.686 38.001 39.000 -0.522 0.000 0.958 510 F HN 0.039 nan 8.300 nan 0.000 0.491 511 W N 0.349 121.701 121.300 0.087 0.000 2.374 511 W HA -0.104 4.557 4.660 0.000 0.000 0.288 511 W C 2.693 179.228 176.519 0.026 0.000 1.218 511 W CA 1.176 58.543 57.345 0.037 0.000 1.245 511 W CB -0.413 29.153 29.460 0.177 0.000 1.126 511 W HN -0.099 nan 8.180 nan 0.000 0.545 512 R N -0.210 120.438 120.500 0.248 0.000 2.096 512 R HA -0.196 4.145 4.340 0.001 0.000 0.235 512 R C 2.245 178.637 176.300 0.153 0.000 1.127 512 R CA 1.744 57.955 56.100 0.186 0.000 0.968 512 R CB -0.599 29.774 30.300 0.123 0.000 0.861 512 R HN 0.271 nan 8.270 nan 0.000 0.440 513 M N 0.512 120.122 119.600 0.016 0.000 2.067 513 M HA -0.187 4.293 4.480 0.001 0.000 0.260 513 M C 1.745 178.051 176.300 0.011 0.000 1.069 513 M CA 1.687 56.985 55.300 -0.003 0.000 1.117 513 M CB 0.003 32.445 32.600 -0.263 0.000 1.334 513 M HN 0.048 nan 8.290 nan 0.000 0.407 514 I N -0.082 120.374 120.570 -0.189 0.000 2.151 514 I HA -0.364 3.806 4.170 0.001 0.000 0.243 514 I C 2.412 178.547 176.117 0.029 0.000 1.080 514 I CA 1.719 62.938 61.300 -0.135 0.000 1.339 514 I CB -1.923 35.989 38.000 -0.146 0.000 1.039 514 I HN 0.692 nan 8.210 nan 0.000 0.409 515 W N 2.170 123.475 121.300 0.007 0.000 2.379 515 W HA -0.166 4.494 4.660 0.001 0.000 0.307 515 W C 2.287 178.769 176.519 -0.061 0.000 1.200 515 W CA 1.302 58.640 57.345 -0.011 0.000 1.297 515 W CB -0.100 29.373 29.460 0.023 0.000 1.140 515 W HN 0.263 nan 8.180 nan 0.000 0.507 516 E N -1.426 118.858 120.200 0.141 0.000 2.347 516 E HA -0.187 4.163 4.350 0.001 0.000 0.196 516 E C 0.776 177.101 176.600 -0.458 0.000 1.008 516 E CA 0.927 57.263 56.400 -0.107 0.000 0.852 516 E CB -0.360 29.302 29.700 -0.063 0.000 0.783 516 E HN 0.226 nan 8.360 nan 0.000 0.505 517 W N 0.513 121.767 121.300 -0.076 0.000 2.771 517 W HA 0.305 4.966 4.660 0.001 0.000 0.412 517 W C -0.094 176.340 176.519 -0.142 0.000 0.965 517 W CA -0.583 56.737 57.345 -0.041 0.000 2.045 517 W CB 0.416 29.923 29.460 0.079 0.000 1.176 517 W HN -0.203 nan 8.180 nan 0.000 0.634 518 K N 0.311 120.580 120.400 -0.218 0.000 3.016 518 K HA -0.234 4.087 4.320 0.001 0.000 0.262 518 K C 0.472 176.729 176.600 -0.572 0.000 1.043 518 K CA 0.607 56.602 56.287 -0.487 0.000 0.761 518 K CB -1.365 30.908 32.500 -0.379 0.000 1.230 518 K HN 0.057 nan 8.250 nan 0.000 0.485 519 S N -0.592 114.889 115.700 -0.366 0.000 2.531 519 S HA 0.166 4.636 4.470 0.001 0.000 0.279 519 S C 0.458 174.791 174.600 -0.445 0.000 1.305 519 S CA -0.329 57.718 58.200 -0.254 0.000 1.058 519 S CB 0.373 63.488 63.200 -0.140 0.000 0.899 519 S HN 0.374 nan 8.310 nan 0.000 0.493 520 H N 1.595 120.681 119.070 0.026 0.000 3.058 520 H HA 0.304 4.860 4.556 0.001 0.000 0.266 520 H C -0.377 175.038 175.328 0.145 0.000 1.135 520 H CA -0.140 55.954 56.048 0.076 0.000 1.174 520 H CB 1.050 30.855 29.762 0.072 0.000 1.581 520 H HN 0.412 nan 8.280 nan 0.000 0.553 521 T N 1.715 116.398 114.554 0.215 0.000 2.879 521 T HA 0.467 4.817 4.350 0.001 0.000 0.290 521 T C -0.501 174.304 174.700 0.175 0.000 0.993 521 T CA -0.535 61.711 62.100 0.243 0.000 0.975 521 T CB 1.540 70.554 68.868 0.243 0.000 0.981 521 T HN 0.074 nan 8.240 nan 0.000 0.439 522 I N 3.003 123.704 120.570 0.219 0.000 2.406 522 I HA 0.515 4.686 4.170 0.001 0.000 0.290 522 I C -0.572 175.652 176.117 0.178 0.000 0.999 522 I CA -1.149 60.254 61.300 0.172 0.000 1.124 522 I CB 1.985 40.100 38.000 0.193 0.000 1.289 522 I HN 0.250 nan 8.210 nan 0.000 0.441 523 V N 7.009 126.949 119.914 0.043 0.000 2.357 523 V HA 0.405 4.525 4.120 0.001 0.000 0.284 523 V C -0.047 175.888 176.094 -0.265 0.000 1.018 523 V CA -0.449 61.771 62.300 -0.133 0.000 0.841 523 V CB 1.702 33.241 31.823 -0.473 0.000 0.991 523 V HN 0.687 nan 8.190 nan 0.000 0.437 524 M N 5.330 124.767 119.600 -0.273 0.000 2.227 524 M HA 0.513 4.993 4.480 0.001 0.000 0.335 524 M C -0.409 175.727 176.300 -0.273 0.000 1.053 524 M CA -0.443 54.545 55.300 -0.521 0.000 0.973 524 M CB 1.560 33.847 32.600 -0.522 0.000 1.623 524 M HN 0.599 nan 8.290 nan 0.000 0.434 525 L N 3.027 124.068 121.223 -0.304 0.000 2.858 525 L HA 0.222 4.562 4.340 0.001 0.000 0.251 525 L C 0.546 177.397 176.870 -0.032 0.000 1.149 525 L CA -0.080 54.719 54.840 -0.069 0.000 0.955 525 L CB 0.536 42.485 42.059 -0.184 0.000 1.289 525 L HN 0.718 nan 8.230 nan 0.000 0.542 526 T N -4.287 110.242 114.554 -0.042 0.000 2.910 526 T HA 0.799 5.150 4.350 0.001 0.000 0.287 526 T C -0.144 174.678 174.700 0.204 0.000 1.050 526 T CA -0.254 61.873 62.100 0.044 0.000 1.011 526 T CB 2.041 70.910 68.868 0.002 0.000 1.195 526 T HN 0.005 nan 8.240 nan 0.000 0.540 527 E N 0.145 120.473 120.200 0.213 0.000 2.254 527 E HA 0.636 4.986 4.350 0.001 0.000 0.261 527 E C 1.255 177.975 176.600 0.201 0.000 1.051 527 E CA -0.428 56.148 56.400 0.293 0.000 0.902 527 E CB 0.399 30.219 29.700 0.200 0.000 1.168 527 E HN 0.629 nan 8.360 nan 0.000 0.423 528 V N 0.111 120.149 119.914 0.207 0.000 2.233 528 V HA 0.007 4.127 4.120 0.001 0.000 0.247 528 V C 1.812 177.949 176.094 0.072 0.000 1.050 528 V CA 2.759 65.129 62.300 0.116 0.000 1.010 528 V CB -0.818 31.034 31.823 0.048 0.000 0.637 528 V HN 1.004 nan 8.190 nan 0.000 0.444 529 Q N -0.153 119.682 119.800 0.058 0.000 2.266 529 Q HA 0.664 5.004 4.340 0.001 0.000 0.261 529 Q C -0.444 175.581 176.000 0.042 0.000 0.985 529 Q CA -0.601 55.225 55.803 0.039 0.000 0.873 529 Q CB 1.242 29.993 28.738 0.021 0.000 1.306 529 Q HN 0.669 nan 8.270 nan 0.000 0.447 530 E N 0.731 120.950 120.200 0.033 0.000 2.291 530 E HA 0.415 4.765 4.350 0.001 0.000 0.276 530 E C -0.917 175.695 176.600 0.021 0.000 0.896 530 E CA -0.873 55.545 56.400 0.030 0.000 0.774 530 E CB 1.706 31.426 29.700 0.035 0.000 1.227 530 E HN 0.744 nan 8.360 nan 0.000 0.413 531 R N 1.527 122.038 120.500 0.018 0.000 3.405 531 R HA -0.300 4.040 4.340 0.001 0.000 0.258 531 R C 0.263 176.569 176.300 0.011 0.000 1.030 531 R CA 1.045 57.153 56.100 0.014 0.000 0.691 531 R CB -2.438 27.871 30.300 0.015 0.000 1.093 531 R HN 0.980 nan 8.270 nan 0.000 0.448 532 E N -4.049 116.157 120.200 0.010 0.000 2.971 532 E HA -0.272 4.078 4.350 0.001 0.000 0.278 532 E C -0.065 176.541 176.600 0.010 0.000 1.009 532 E CA 2.047 58.452 56.400 0.008 0.000 0.862 532 E CB -2.321 27.383 29.700 0.005 0.000 1.436 532 E HN 1.163 nan 8.360 nan 0.000 0.434 533 Q N -0.973 118.835 119.800 0.013 0.000 2.330 533 Q HA 0.631 4.971 4.340 0.001 0.000 0.269 533 Q C 0.140 176.151 176.000 0.020 0.000 1.022 533 Q CA 0.540 56.352 55.803 0.014 0.000 0.796 533 Q CB 0.455 29.200 28.738 0.011 0.000 1.271 533 Q HN 1.681 nan 8.270 nan 0.000 0.450 534 D N 1.011 121.424 120.400 0.022 0.000 2.367 534 D HA 0.447 5.087 4.640 0.001 0.000 0.255 534 D C 0.920 177.242 176.300 0.036 0.000 1.300 534 D CA 0.363 54.382 54.000 0.032 0.000 0.959 534 D CB -0.050 40.773 40.800 0.037 0.000 1.064 534 D HN 0.932 nan 8.370 nan 0.000 0.509 535 K N -0.147 120.277 120.400 0.040 0.000 2.361 535 K HA 0.526 4.846 4.320 0.001 0.000 0.194 535 K C 0.769 177.403 176.600 0.058 0.000 1.032 535 K CA 0.701 57.011 56.287 0.038 0.000 1.048 535 K CB -0.087 32.431 32.500 0.030 0.000 0.842 535 K HN 1.120 nan 8.250 nan 0.000 0.526 536 C N -0.898 118.450 119.300 0.080 0.000 3.199 536 C HA 0.557 5.017 4.460 0.001 0.000 0.392 536 C C -1.722 173.342 174.990 0.123 0.000 1.050 536 C CA -1.606 57.480 59.018 0.114 0.000 1.222 536 C CB -0.027 27.813 27.740 0.166 0.000 1.595 536 C HN 0.579 nan 8.230 nan 0.000 0.560 537 Y N 3.784 124.079 120.300 -0.009 0.000 2.335 537 Y HA 0.413 4.963 4.550 0.001 0.000 0.331 537 Y C 0.580 176.435 175.900 -0.076 0.000 1.094 537 Y CA 0.545 58.617 58.100 -0.048 0.000 1.253 537 Y CB 0.789 39.210 38.460 -0.066 0.000 1.203 537 Y HN 0.799 nan 8.280 nan 0.000 0.508 538 Q N 6.137 125.507 119.800 -0.717 0.000 2.325 538 Q HA 0.012 4.352 4.340 0.001 0.000 0.256 538 Q C -0.478 175.054 176.000 -0.780 0.000 1.142 538 Q CA -0.032 55.191 55.803 -0.968 0.000 0.902 538 Q CB 0.040 28.102 28.738 -1.126 0.000 1.350 538 Q HN 0.914 nan 8.270 nan 0.000 0.449 539 Y N 2.361 122.590 120.300 -0.119 0.000 2.511 539 Y HA 0.200 4.750 4.550 0.001 0.000 0.279 539 Y C -0.404 175.777 175.900 0.468 0.000 1.157 539 Y CA -1.144 57.126 58.100 0.283 0.000 1.300 539 Y CB -0.237 38.280 38.460 0.096 0.000 1.052 539 Y HN 0.487 nan 8.280 nan 0.000 0.529 540 W N 1.577 122.868 121.300 -0.014 0.000 2.666 540 W HA 0.783 5.444 4.660 0.001 0.000 0.334 540 W C -3.057 173.484 176.519 0.036 0.000 1.051 540 W CA -3.269 54.097 57.345 0.036 0.000 1.224 540 W CB 0.828 30.238 29.460 -0.083 0.000 1.405 540 W HN -0.334 nan 8.180 nan 0.000 0.513 541 P HA 0.198 nan 4.420 nan 0.000 0.277 541 P C 0.092 177.524 177.300 0.220 0.000 1.240 541 P CA -0.030 63.095 63.100 0.042 0.000 0.798 541 P CB 2.260 34.001 31.700 0.069 0.000 0.979 542 T N -0.034 114.569 114.554 0.081 0.000 3.042 542 T HA 0.062 4.412 4.350 0.001 0.000 0.245 542 T C 1.810 176.582 174.700 0.120 0.000 1.029 542 T CA 1.582 63.779 62.100 0.161 0.000 1.120 542 T CB -0.017 68.895 68.868 0.073 0.000 0.917 542 T HN 0.565 nan 8.240 nan 0.000 0.467 543 E N 0.521 120.760 120.200 0.064 0.000 2.192 543 E HA 0.541 4.892 4.350 0.001 0.000 0.196 543 E C 1.498 178.124 176.600 0.044 0.000 0.922 543 E CA 0.600 57.027 56.400 0.044 0.000 0.924 543 E CB -0.905 28.806 29.700 0.019 0.000 0.911 543 E HN 0.473 nan 8.360 nan 0.000 0.478 544 G N -0.618 108.203 108.800 0.035 0.000 3.271 544 G HA2 0.566 4.526 3.960 0.001 0.000 0.174 544 G HA3 0.566 4.526 3.960 0.001 0.000 0.174 544 G C 0.593 175.515 174.900 0.037 0.000 1.385 544 G CA 0.781 45.897 45.100 0.027 0.000 0.979 544 G HN 1.064 nan 8.290 nan 0.000 0.610 545 S N -1.575 114.130 115.700 0.008 0.000 2.638 545 S HA 0.795 5.266 4.470 0.001 0.000 0.302 545 S C -0.648 173.917 174.600 -0.057 0.000 1.096 545 S CA -0.242 57.950 58.200 -0.014 0.000 0.953 545 S CB 1.786 64.972 63.200 -0.023 0.000 1.107 545 S HN 1.785 nan 8.310 nan 0.000 0.503 546 V N -2.045 117.794 119.914 -0.126 0.000 2.808 546 V HA 0.976 5.097 4.120 0.001 0.000 0.308 546 V C -0.239 175.691 176.094 -0.273 0.000 1.099 546 V CA -0.091 62.097 62.300 -0.187 0.000 0.920 546 V CB 0.870 32.537 31.823 -0.260 0.000 1.014 546 V HN 1.409 nan 8.190 nan 0.000 0.425 547 T N 1.432 115.883 114.554 -0.173 0.000 2.853 547 T HA 0.567 4.917 4.350 0.001 0.000 0.317 547 T C -0.191 174.511 174.700 0.004 0.000 1.059 547 T CA -0.482 61.536 62.100 -0.136 0.000 0.954 547 T CB -0.088 68.737 68.868 -0.071 0.000 0.994 547 T HN 0.814 nan 8.240 nan 0.000 0.479 548 H N 3.062 122.097 119.070 -0.059 0.000 2.882 548 H HA 0.494 5.050 4.556 0.001 0.000 0.258 548 H C 1.501 176.838 175.328 0.015 0.000 1.579 548 H CA 0.236 56.303 56.048 0.032 0.000 1.340 548 H CB -0.105 29.753 29.762 0.159 0.000 1.645 548 H HN 1.201 nan 8.280 nan 0.000 0.541 549 G N 2.034 110.904 108.800 0.116 0.000 2.523 549 G HA2 -0.439 3.522 3.960 0.001 0.000 0.271 549 G HA3 -0.439 3.522 3.960 0.001 0.000 0.271 549 G C 1.247 176.140 174.900 -0.013 0.000 1.146 549 G CA 0.888 46.016 45.100 0.046 0.000 0.961 549 G HN 0.570 nan 8.290 nan 0.000 0.549 550 E N -0.133 120.041 120.200 -0.042 0.000 2.285 550 E HA 0.421 4.771 4.350 0.001 0.000 0.194 550 E C 1.510 178.000 176.600 -0.184 0.000 0.997 550 E CA 1.313 57.648 56.400 -0.109 0.000 0.845 550 E CB -0.032 29.593 29.700 -0.124 0.000 0.782 550 E HN 0.681 nan 8.360 nan 0.000 0.491 551 I N 1.295 121.762 120.570 -0.171 0.000 2.532 551 I HA 0.344 4.515 4.170 0.001 0.000 0.292 551 I C -0.099 175.856 176.117 -0.271 0.000 1.014 551 I CA -0.105 61.036 61.300 -0.266 0.000 1.340 551 I CB 1.513 39.388 38.000 -0.207 0.000 1.422 551 I HN 0.000 nan 8.210 nan 0.000 0.528 552 T N 6.166 120.536 114.554 -0.307 0.000 2.841 552 T HA 0.541 4.891 4.350 0.001 0.000 0.285 552 T C -0.251 174.256 174.700 -0.322 0.000 0.991 552 T CA -0.380 61.553 62.100 -0.278 0.000 0.966 552 T CB 1.499 70.263 68.868 -0.173 0.000 0.962 552 T HN 0.159 nan 8.240 nan 0.000 0.438 553 I N 2.772 123.116 120.570 -0.377 0.000 2.362 553 I HA 0.617 4.788 4.170 0.001 0.000 0.289 553 I C 0.361 176.438 176.117 -0.066 0.000 0.994 553 I CA -0.966 60.147 61.300 -0.312 0.000 1.158 553 I CB 0.654 38.330 38.000 -0.540 0.000 1.315 553 I HN 0.803 nan 8.210 nan 0.000 0.451 554 E N 6.326 126.569 120.200 0.070 0.000 2.199 554 E HA 0.588 4.938 4.350 0.001 0.000 0.265 554 E C -0.927 175.811 176.600 0.230 0.000 0.882 554 E CA -0.693 55.778 56.400 0.117 0.000 0.759 554 E CB 2.585 32.318 29.700 0.055 0.000 1.148 554 E HN 0.696 nan 8.360 nan 0.000 0.412 555 I N 2.200 122.903 120.570 0.222 0.000 2.352 555 I HA 0.534 4.705 4.170 0.001 0.000 0.290 555 I C 1.292 177.401 176.117 -0.013 0.000 1.036 555 I CA 0.265 61.627 61.300 0.105 0.000 1.336 555 I CB 1.239 39.321 38.000 0.135 0.000 1.407 555 I HN 0.736 nan 8.210 nan 0.000 0.497 556 K N 4.597 124.940 120.400 -0.096 0.000 2.172 556 K HA 0.283 4.603 4.320 0.001 0.000 0.203 556 K C 0.634 177.185 176.600 -0.082 0.000 1.040 556 K CA 1.206 57.456 56.287 -0.061 0.000 0.974 556 K CB -0.973 31.501 32.500 -0.044 0.000 0.857 556 K HN 0.793 nan 8.250 nan 0.000 0.464 557 N N -0.636 117.979 118.700 -0.142 0.000 2.262 557 N HA 0.513 5.254 4.740 0.001 0.000 0.295 557 N C -1.090 174.322 175.510 -0.163 0.000 1.161 557 N CA 0.191 53.170 53.050 -0.118 0.000 0.767 557 N CB 1.740 40.170 38.487 -0.095 0.000 1.499 557 N HN 0.771 nan 8.380 nan 0.000 0.476 558 D N -0.430 119.912 120.400 -0.097 0.000 2.381 558 D HA 0.664 5.305 4.640 0.001 0.000 0.245 558 D C 0.002 176.281 176.300 -0.034 0.000 1.297 558 D CA 0.373 54.327 54.000 -0.077 0.000 0.931 558 D CB 0.219 41.005 40.800 -0.023 0.000 1.334 558 D HN 1.129 nan 8.370 nan 0.000 0.535 559 T N -0.152 114.377 114.554 -0.043 0.000 2.753 559 T HA 0.703 5.053 4.350 0.001 0.000 0.297 559 T C 0.748 175.456 174.700 0.013 0.000 0.981 559 T CA -0.071 62.022 62.100 -0.013 0.000 0.956 559 T CB 0.273 69.131 68.868 -0.016 0.000 0.936 559 T HN 1.505 nan 8.240 nan 0.000 0.463 560 L N 2.599 123.841 121.223 0.032 0.000 2.401 560 L HA 0.784 5.125 4.340 0.001 0.000 0.283 560 L C 1.014 177.919 176.870 0.058 0.000 1.151 560 L CA -0.399 54.477 54.840 0.060 0.000 0.942 560 L CB -1.386 40.703 42.059 0.050 0.000 1.283 560 L HN 1.213 nan 8.230 nan 0.000 0.442 561 S N 1.639 117.383 115.700 0.073 0.000 2.671 561 S HA 0.698 5.168 4.470 0.001 0.000 0.272 561 S C 0.848 175.502 174.600 0.090 0.000 1.174 561 S CA 0.175 58.421 58.200 0.077 0.000 1.004 561 S CB 0.098 63.352 63.200 0.091 0.000 1.077 561 S HN 1.896 nan 8.310 nan 0.000 0.553 562 E N -0.576 119.675 120.200 0.085 0.000 2.498 562 E HA 0.483 4.833 4.350 0.001 0.000 0.252 562 E C 1.190 177.859 176.600 0.115 0.000 1.025 562 E CA 0.685 57.135 56.400 0.084 0.000 0.938 562 E CB -1.404 28.342 29.700 0.077 0.000 0.947 562 E HN 2.397 nan 8.360 nan 0.000 0.478 563 A N 1.912 124.791 122.820 0.098 0.000 1.345 563 A HA -0.218 4.102 4.320 0.001 0.000 0.221 563 A C 0.916 178.561 177.584 0.102 0.000 0.422 563 A CA 1.345 53.430 52.037 0.080 0.000 1.098 563 A CB -2.286 16.799 19.000 0.142 0.000 1.468 563 A HN 1.434 nan 8.150 nan 0.000 0.722 564 I N 1.375 122.055 120.570 0.183 0.000 2.365 564 I HA 0.549 4.720 4.170 0.001 0.000 0.291 564 I C 0.753 176.935 176.117 0.108 0.000 1.004 564 I CA 0.327 61.724 61.300 0.163 0.000 1.311 564 I CB 0.509 38.694 38.000 0.308 0.000 1.401 564 I HN 0.819 nan 8.210 nan 0.000 0.491 565 S N 6.802 122.513 115.700 0.019 0.000 2.541 565 S HA 0.745 5.215 4.470 0.001 0.000 0.283 565 S C -0.477 174.121 174.600 -0.003 0.000 1.196 565 S CA -0.700 57.538 58.200 0.063 0.000 1.062 565 S CB 1.664 64.971 63.200 0.178 0.000 1.009 565 S HN 0.529 nan 8.310 nan 0.000 0.502 566 I N 3.023 123.555 120.570 -0.063 0.000 2.466 566 I HA 0.351 4.521 4.170 0.001 0.000 0.279 566 I C 0.015 175.998 176.117 -0.225 0.000 1.033 566 I CA -0.516 60.651 61.300 -0.222 0.000 1.123 566 I CB 1.287 39.129 38.000 -0.263 0.000 1.237 566 I HN 0.618 nan 8.210 nan 0.000 0.460 567 R N 4.503 124.854 120.500 -0.248 0.000 2.486 567 R HA 0.525 4.865 4.340 0.001 0.000 0.286 567 R C -1.137 174.857 176.300 -0.511 0.000 0.999 567 R CA -0.866 55.014 56.100 -0.367 0.000 0.993 567 R CB 1.625 31.709 30.300 -0.361 0.000 1.084 567 R HN 0.381 nan 8.270 nan 0.000 0.487 568 D N 2.073 122.076 120.400 -0.661 0.000 2.505 568 D HA 0.382 5.022 4.640 0.001 0.000 0.249 568 D C -0.826 175.080 176.300 -0.656 0.000 1.082 568 D CA -0.164 53.555 54.000 -0.469 0.000 0.839 568 D CB 1.611 42.281 40.800 -0.217 0.000 1.317 568 D HN 0.219 nan 8.370 nan 0.000 0.497 569 F N 0.407 120.415 119.950 0.096 0.000 2.576 569 F HA 0.420 4.947 4.527 0.001 0.000 0.313 569 F C 0.100 175.955 175.800 0.091 0.000 1.078 569 F CA -1.014 57.049 58.000 0.104 0.000 0.921 569 F CB 1.891 40.986 39.000 0.159 0.000 1.232 569 F HN -0.020 nan 8.300 nan 0.000 0.459 570 L N 3.696 125.066 121.223 0.246 0.000 2.287 570 L HA 0.421 4.761 4.340 0.001 0.000 0.280 570 L C -0.824 176.128 176.870 0.137 0.000 1.055 570 L CA -0.722 54.221 54.840 0.171 0.000 0.863 570 L CB 0.833 42.956 42.059 0.107 0.000 1.245 570 L HN 0.363 nan 8.230 nan 0.000 0.432 571 V N 2.884 122.900 119.914 0.171 0.000 2.455 571 V HA 0.266 4.386 4.120 0.001 0.000 0.273 571 V C 0.535 176.732 176.094 0.172 0.000 1.045 571 V CA -0.102 62.260 62.300 0.104 0.000 0.976 571 V CB 1.112 33.072 31.823 0.229 0.000 0.993 571 V HN 0.702 nan 8.190 nan 0.000 0.475 572 T N 5.554 120.087 114.554 -0.035 0.000 2.942 572 T HA 0.656 5.006 4.350 0.001 0.000 0.289 572 T C -0.800 173.649 174.700 -0.418 0.000 1.044 572 T CA -0.611 61.424 62.100 -0.109 0.000 1.023 572 T CB 1.992 70.811 68.868 -0.081 0.000 1.123 572 T HN 0.316 nan 8.240 nan 0.000 0.512 573 L N 2.506 123.413 121.223 -0.527 0.000 2.318 573 L HA 0.567 4.908 4.340 0.001 0.000 0.277 573 L C 0.311 176.988 176.870 -0.322 0.000 1.008 573 L CA -0.154 54.295 54.840 -0.652 0.000 0.846 573 L CB -0.263 41.154 42.059 -1.070 0.000 1.220 573 L HN 0.932 nan 8.230 nan 0.000 0.423 582 E N 0.532 120.785 120.200 0.088 0.000 2.330 582 E HA 0.319 4.670 4.350 0.001 0.000 0.210 582 E C 1.371 178.112 176.600 0.235 0.000 1.256 582 E CA 0.559 57.034 56.400 0.125 0.000 1.346 582 E CB -0.266 29.494 29.700 0.101 0.000 1.308 582 E HN 0.630 nan 8.360 nan 0.000 0.441 583 Q N -0.851 119.071 119.800 0.202 0.000 2.376 583 Q HA 0.230 4.570 4.340 0.001 0.000 0.206 583 Q C 0.432 176.620 176.000 0.312 0.000 0.921 583 Q CA 0.483 56.409 55.803 0.205 0.000 0.911 583 Q CB 0.693 29.478 28.738 0.078 0.000 1.032 583 Q HN 0.454 nan 8.270 nan 0.000 0.510 584 V N 0.700 120.803 119.914 0.315 0.000 2.709 584 V HA 0.549 4.669 4.120 0.001 0.000 0.308 584 V C -1.316 174.940 176.094 0.270 0.000 1.062 584 V CA -0.720 61.760 62.300 0.300 0.000 0.901 584 V CB 1.914 33.830 31.823 0.155 0.000 1.003 584 V HN 0.142 nan 8.190 nan 0.000 0.425 585 R N 3.318 123.993 120.500 0.291 0.000 2.912 585 R HA 0.764 5.104 4.340 0.001 0.000 0.262 585 R C -1.702 174.724 176.300 0.210 0.000 1.057 585 R CA -0.847 55.370 56.100 0.196 0.000 0.981 585 R CB 2.511 32.891 30.300 0.134 0.000 1.201 585 R HN 0.503 nan 8.270 nan 0.000 0.484 586 V N 2.391 122.424 119.914 0.200 0.000 2.334 586 V HA 0.273 4.393 4.120 0.001 0.000 0.281 586 V C -0.440 175.820 176.094 0.277 0.000 1.016 586 V CA -0.568 61.853 62.300 0.201 0.000 0.832 586 V CB 1.655 33.549 31.823 0.118 0.000 0.999 586 V HN 0.395 nan 8.190 nan 0.000 0.439 587 V N 5.880 125.997 119.914 0.339 0.000 2.532 587 V HA 0.596 4.717 4.120 0.001 0.000 0.295 587 V C 0.039 176.377 176.094 0.407 0.000 1.041 587 V CA -0.771 61.761 62.300 0.387 0.000 0.926 587 V CB 2.046 34.132 31.823 0.438 0.000 0.992 587 V HN 0.865 nan 8.190 nan 0.000 0.457 588 R N 3.404 124.094 120.500 0.316 0.000 2.437 588 R HA 0.479 4.819 4.340 0.001 0.000 0.310 588 R C -0.704 175.708 176.300 0.187 0.000 0.955 588 R CA -0.338 55.868 56.100 0.177 0.000 0.851 588 R CB 1.374 31.727 30.300 0.089 0.000 1.161 588 R HN 0.786 nan 8.270 nan 0.000 0.446 589 Q N 4.724 124.599 119.800 0.124 0.000 2.322 589 Q HA 0.315 4.655 4.340 0.001 0.000 0.265 589 Q C -1.435 174.489 176.000 -0.127 0.000 0.985 589 Q CA -0.635 55.244 55.803 0.128 0.000 0.849 589 Q CB 0.939 29.841 28.738 0.273 0.000 1.274 589 Q HN 0.592 nan 8.270 nan 0.000 0.449 590 F N 2.994 122.966 119.950 0.037 0.000 2.361 590 F HA 0.233 4.760 4.527 0.001 0.000 0.364 590 F C 0.050 175.842 175.800 -0.012 0.000 1.120 590 F CA -0.486 57.524 58.000 0.016 0.000 1.102 590 F CB 0.908 39.914 39.000 0.009 0.000 1.183 590 F HN 0.580 nan 8.300 nan 0.000 0.476 591 H N 4.722 123.770 119.070 -0.036 0.000 2.690 591 H HA 0.212 4.768 4.556 0.001 0.000 0.280 591 H C -0.824 174.324 175.328 -0.301 0.000 1.138 591 H CA -0.949 54.984 56.048 -0.191 0.000 1.241 591 H CB 0.378 29.969 29.762 -0.286 0.000 1.394 591 H HN 0.501 nan 8.280 nan 0.000 0.489 592 F N 5.622 125.541 119.950 -0.051 0.000 2.466 592 F HA 0.057 4.585 4.527 0.001 0.000 0.363 592 F C 0.264 175.988 175.800 -0.127 0.000 1.109 592 F CA -0.278 57.667 58.000 -0.092 0.000 1.161 592 F CB 0.364 39.385 39.000 0.036 0.000 1.117 592 F HN 0.663 nan 8.300 nan 0.000 0.539 593 H N 4.210 123.098 119.070 -0.303 0.000 2.524 593 H HA 0.187 4.743 4.556 0.001 0.000 0.280 593 H C 1.799 176.798 175.328 -0.547 0.000 1.018 593 H CA 0.614 56.453 56.048 -0.348 0.000 1.165 593 H CB -0.028 29.585 29.762 -0.248 0.000 1.411 593 H HN 0.798 nan 8.280 nan 0.000 0.569 594 G N -0.683 107.372 108.800 -1.242 0.000 2.985 594 G HA2 -0.103 3.857 3.960 0.001 0.000 0.209 594 G HA3 -0.103 3.857 3.960 0.001 0.000 0.209 594 G C -0.021 174.600 174.900 -0.464 0.000 1.165 594 G CA -0.268 44.255 45.100 -0.963 0.000 0.776 594 G HN 0.218 nan 8.290 nan 0.000 0.541 595 W N 1.977 123.038 121.300 -0.399 0.000 2.391 595 W HA 0.455 5.115 4.660 0.001 0.000 0.311 595 W C -2.414 174.051 176.519 -0.088 0.000 1.087 595 W CA -2.800 54.488 57.345 -0.094 0.000 1.209 595 W CB 1.611 31.101 29.460 0.051 0.000 1.273 595 W HN -0.038 nan 8.180 nan 0.000 0.482 596 P HA 0.145 nan 4.420 nan 0.000 0.271 596 P C 0.824 178.245 177.300 0.201 0.000 1.216 596 P CA 0.512 63.668 63.100 0.093 0.000 0.771 596 P CB 0.527 32.215 31.700 -0.020 0.000 0.864 597 E N 1.979 122.245 120.200 0.110 0.000 2.147 597 E HA -0.077 4.273 4.350 0.001 0.000 0.199 597 E C 1.083 177.735 176.600 0.088 0.000 1.005 597 E CA 2.018 58.471 56.400 0.089 0.000 0.810 597 E CB -0.967 28.762 29.700 0.049 0.000 0.736 597 E HN 0.655 nan 8.360 nan 0.000 0.460 598 I N -1.582 119.037 120.570 0.080 0.000 2.447 598 I HA 0.732 4.903 4.170 0.001 0.000 0.287 598 I C 0.806 176.969 176.117 0.076 0.000 1.023 598 I CA -0.196 61.147 61.300 0.072 0.000 1.083 598 I CB 0.847 38.870 38.000 0.040 0.000 1.245 598 I HN 1.237 nan 8.210 nan 0.000 0.434 599 G N 3.553 112.418 108.800 0.109 0.000 2.549 599 G HA2 0.342 4.303 3.960 0.001 0.000 0.404 599 G HA3 0.342 4.303 3.960 0.001 0.000 0.404 599 G C -0.564 174.377 174.900 0.067 0.000 1.292 599 G CA -0.125 45.017 45.100 0.069 0.000 0.935 599 G HN 2.379 nan 8.290 nan 0.000 0.512 600 I N -1.243 119.263 120.570 -0.105 0.000 2.577 600 I HA 0.707 4.878 4.170 0.001 0.000 0.305 600 I C -1.980 173.797 176.117 -0.568 0.000 0.986 600 I CA -2.593 58.422 61.300 -0.476 0.000 1.189 600 I CB 1.708 39.416 38.000 -0.487 0.000 1.355 600 I HN 0.417 nan 8.210 nan 0.000 0.476 601 P HA 0.086 nan 4.420 nan 0.000 0.268 601 P C -0.017 177.144 177.300 -0.233 0.000 1.205 601 P CA -0.227 62.562 63.100 -0.518 0.000 0.771 601 P CB 1.103 32.475 31.700 -0.548 0.000 0.858 602 A N 0.763 123.531 122.820 -0.086 0.000 2.345 602 A HA 0.351 4.671 4.320 0.001 0.000 0.225 602 A C 1.566 179.183 177.584 0.054 0.000 1.243 602 A CA 0.984 53.023 52.037 0.002 0.000 0.875 602 A CB -0.606 18.385 19.000 -0.015 0.000 0.929 602 A HN 0.579 nan 8.150 nan 0.000 0.502 603 E N -1.927 118.323 120.200 0.082 0.000 2.592 603 E HA 0.401 4.751 4.350 0.001 0.000 0.184 603 E C 1.503 178.179 176.600 0.127 0.000 1.056 603 E CA 0.728 57.179 56.400 0.085 0.000 1.151 603 E CB -1.066 28.670 29.700 0.061 0.000 1.435 603 E HN 1.765 nan 8.360 nan 0.000 0.496 604 G N -0.710 108.199 108.800 0.182 0.000 2.136 604 G HA2 -0.084 3.876 3.960 0.001 0.000 0.242 604 G HA3 -0.084 3.876 3.960 0.001 0.000 0.242 604 G C 1.348 176.301 174.900 0.090 0.000 0.989 604 G CA 1.470 46.668 45.100 0.164 0.000 0.682 604 G HN 1.289 nan 8.290 nan 0.000 0.522 605 K N -0.022 120.437 120.400 0.098 0.000 2.062 605 K HA 0.378 4.698 4.320 0.001 0.000 0.205 605 K C 2.954 179.632 176.600 0.129 0.000 1.051 605 K CA 1.832 58.174 56.287 0.092 0.000 0.941 605 K CB -0.986 31.559 32.500 0.074 0.000 0.719 605 K HN 1.456 nan 8.250 nan 0.000 0.440 606 G N 0.075 108.984 108.800 0.182 0.000 2.471 606 G HA2 -0.061 3.899 3.960 0.001 0.000 0.219 606 G HA3 -0.061 3.899 3.960 0.001 0.000 0.219 606 G C 1.677 176.761 174.900 0.306 0.000 1.125 606 G CA 1.318 46.583 45.100 0.275 0.000 0.775 606 G HN 0.473 nan 8.290 nan 0.000 0.548 607 M N 0.335 120.075 119.600 0.232 0.000 2.287 607 M HA 0.303 4.784 4.480 0.001 0.000 0.266 607 M C 2.183 178.486 176.300 0.004 0.000 1.079 607 M CA 0.955 56.295 55.300 0.065 0.000 1.146 607 M CB -0.286 32.427 32.600 0.189 0.000 1.374 607 M HN 0.161 nan 8.290 nan 0.000 0.435 608 I N 0.763 121.355 120.570 0.036 0.000 2.226 608 I HA -0.221 3.949 4.170 0.001 0.000 0.245 608 I C 2.315 178.465 176.117 0.054 0.000 1.100 608 I CA 1.794 63.115 61.300 0.036 0.000 1.374 608 I CB -1.256 36.819 38.000 0.125 0.000 1.057 608 I HN 0.544 nan 8.210 nan 0.000 0.413 609 D N 0.676 121.125 120.400 0.082 0.000 2.224 609 D HA -0.114 4.526 4.640 0.001 0.000 0.205 609 D C 2.037 178.380 176.300 0.072 0.000 0.965 609 D CA 0.985 55.040 54.000 0.091 0.000 0.852 609 D CB -0.314 40.557 40.800 0.120 0.000 0.947 609 D HN 0.247 nan 8.370 nan 0.000 0.494 610 L N -0.428 120.820 121.223 0.042 0.000 2.068 610 L HA 0.129 4.469 4.340 0.001 0.000 0.204 610 L C 2.439 179.291 176.870 -0.029 0.000 1.076 610 L CA 1.122 55.955 54.840 -0.013 0.000 0.753 610 L CB -0.266 41.710 42.059 -0.138 0.000 0.910 610 L HN 0.311 nan 8.230 nan 0.000 0.439 611 I N 0.168 120.737 120.570 -0.002 0.000 2.113 611 I HA -0.392 3.778 4.170 0.001 0.000 0.242 611 I C 2.638 178.721 176.117 -0.057 0.000 1.064 611 I CA 1.558 62.817 61.300 -0.069 0.000 1.320 611 I CB -0.634 37.234 38.000 -0.220 0.000 1.028 611 I HN 0.435 nan 8.210 nan 0.000 0.406 612 A N 0.463 123.267 122.820 -0.025 0.000 1.908 612 A HA -0.215 4.105 4.320 0.001 0.000 0.218 612 A C 2.511 180.095 177.584 -0.000 0.000 1.181 612 A CA 2.034 54.077 52.037 0.010 0.000 0.627 612 A CB -0.903 18.130 19.000 0.055 0.000 0.818 612 A HN 0.482 nan 8.150 nan 0.000 0.445 613 A N -0.718 122.085 122.820 -0.028 0.000 1.902 613 A HA -0.007 4.313 4.320 0.001 0.000 0.217 613 A C 2.191 179.657 177.584 -0.197 0.000 1.181 613 A CA 1.797 53.814 52.037 -0.033 0.000 0.623 613 A CB -0.897 18.120 19.000 0.028 0.000 0.818 613 A HN 0.428 nan 8.150 nan 0.000 0.443 614 V N -0.011 119.640 119.914 -0.438 0.000 2.626 614 V HA -0.256 3.864 4.120 0.001 0.000 0.252 614 V C 2.544 178.602 176.094 -0.060 0.000 1.067 614 V CA 1.995 64.037 62.300 -0.431 0.000 1.081 614 V CB -0.784 30.849 31.823 -0.317 0.000 0.686 614 V HN 0.618 nan 8.190 nan 0.000 0.468 615 Q N 0.191 119.985 119.800 -0.010 0.000 2.123 615 Q HA -0.169 4.172 4.340 0.001 0.000 0.199 615 Q C 2.621 178.660 176.000 0.065 0.000 0.966 615 Q CA 1.950 57.783 55.803 0.050 0.000 0.845 615 Q CB -0.285 28.474 28.738 0.036 0.000 0.907 615 Q HN 0.743 nan 8.270 nan 0.000 0.439 616 K N 0.974 121.412 120.400 0.064 0.000 2.057 616 K HA -0.221 4.100 4.320 0.001 0.000 0.206 616 K C 1.746 178.412 176.600 0.110 0.000 1.050 616 K CA 1.695 58.031 56.287 0.083 0.000 0.935 616 K CB -0.787 31.767 32.500 0.090 0.000 0.715 616 K HN 0.138 nan 8.250 nan 0.000 0.439 617 Q N 0.214 120.107 119.800 0.155 0.000 2.096 617 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 617 Q C 2.374 178.471 176.000 0.162 0.000 0.982 617 Q CA 2.340 58.267 55.803 0.207 0.000 0.850 617 Q CB -0.226 28.737 28.738 0.375 0.000 0.901 617 Q HN 0.662 nan 8.270 nan 0.000 0.422 618 Q N -0.348 119.537 119.800 0.143 0.000 2.020 618 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 618 Q C 2.313 178.372 176.000 0.098 0.000 0.982 618 Q CA 2.900 58.786 55.803 0.139 0.000 0.838 618 Q CB -0.808 28.029 28.738 0.167 0.000 0.899 618 Q HN 0.628 nan 8.270 nan 0.000 0.423 619 Q N 0.158 120.004 119.800 0.076 0.000 2.181 619 Q HA -0.262 4.079 4.340 0.001 0.000 0.205 619 Q C 1.850 177.873 176.000 0.039 0.000 0.980 619 Q CA 2.113 57.943 55.803 0.044 0.000 0.862 619 Q CB -0.620 28.141 28.738 0.037 0.000 0.905 619 Q HN 0.673 nan 8.270 nan 0.000 0.429 620 Q N -0.711 119.123 119.800 0.056 0.000 2.013 620 Q HA 0.116 4.456 4.340 0.001 0.000 0.195 620 Q C 2.141 178.161 176.000 0.034 0.000 0.974 620 Q CA 1.436 57.266 55.803 0.046 0.000 0.826 620 Q CB 0.010 28.784 28.738 0.059 0.000 0.895 620 Q HN 0.689 nan 8.270 nan 0.000 0.448 621 T N 0.733 115.318 114.554 0.051 0.000 3.667 621 T HA 0.324 4.675 4.350 0.001 0.000 0.240 621 T C 0.540 175.270 174.700 0.050 0.000 0.919 621 T CA 0.073 62.185 62.100 0.021 0.000 0.928 621 T CB -1.094 67.797 68.868 0.037 0.000 1.151 621 T HN 0.260 nan 8.240 nan 0.000 0.644 622 G N 0.977 109.786 108.800 0.015 0.000 2.432 622 G HA2 0.376 4.337 3.960 0.001 0.000 0.239 622 G HA3 0.376 4.337 3.960 0.001 0.000 0.239 622 G C 0.264 175.031 174.900 -0.222 0.000 1.291 622 G CA -0.422 44.656 45.100 -0.038 0.000 0.863 622 G HN 0.415 nan 8.290 nan 0.000 0.560 623 N N 0.739 119.170 118.700 -0.448 0.000 2.666 623 N HA 0.097 4.837 4.740 0.001 0.000 0.253 623 N C -0.434 175.033 175.510 -0.072 0.000 1.621 623 N CA -0.383 52.590 53.050 -0.129 0.000 0.785 623 N CB 0.207 38.646 38.487 -0.081 0.000 1.332 623 N HN 0.616 nan 8.380 nan 0.000 0.514 624 H N -0.266 118.902 119.070 0.163 0.000 2.490 624 H HA 0.445 5.002 4.556 0.001 0.000 0.354 624 H C -1.900 173.457 175.328 0.048 0.000 1.365 624 H CA -0.995 55.138 56.048 0.142 0.000 1.413 624 H CB 0.314 30.196 29.762 0.199 0.000 1.631 624 H HN 0.247 nan 8.280 nan 0.000 0.607 625 P HA 0.126 nan 4.420 nan 0.000 0.279 625 P C -0.563 176.667 177.300 -0.116 0.000 1.239 625 P CA 0.091 63.149 63.100 -0.070 0.000 0.789 625 P CB 0.800 32.563 31.700 0.106 0.000 0.933 626 I N 1.723 122.120 120.570 -0.288 0.000 2.353 626 I HA 0.191 4.361 4.170 0.001 0.000 0.293 626 I C 0.606 176.725 176.117 0.003 0.000 0.992 626 I CA -0.297 60.938 61.300 -0.107 0.000 1.268 626 I CB 0.964 38.913 38.000 -0.085 0.000 1.387 626 I HN 0.148 nan 8.210 nan 0.000 0.478 627 T N 6.138 120.690 114.554 -0.004 0.000 2.747 627 T HA 0.339 4.689 4.350 0.001 0.000 0.301 627 T C -0.048 174.673 174.700 0.035 0.000 0.952 627 T CA -0.324 61.756 62.100 -0.034 0.000 0.983 627 T CB 0.516 69.299 68.868 -0.141 0.000 0.930 627 T HN 0.214 nan 8.240 nan 0.000 0.494 628 V N 5.659 125.590 119.914 0.029 0.000 2.435 628 V HA 0.628 4.749 4.120 0.001 0.000 0.290 628 V C -0.201 175.906 176.094 0.023 0.000 1.030 628 V CA -0.877 61.397 62.300 -0.044 0.000 0.881 628 V CB 1.115 32.891 31.823 -0.078 0.000 0.983 628 V HN 1.076 nan 8.190 nan 0.000 0.445 629 H N 1.453 120.453 119.070 -0.116 0.000 3.037 629 H HA 0.727 5.284 4.556 0.001 0.000 0.355 629 H C 0.030 175.294 175.328 -0.107 0.000 1.263 629 H CA -0.193 55.797 56.048 -0.097 0.000 1.129 629 H CB 1.435 31.163 29.762 -0.057 0.000 1.861 629 H HN 0.613 nan 8.280 nan 0.000 0.546 630 C N -0.237 119.008 119.300 -0.091 0.000 3.162 630 C HA 0.666 5.127 4.460 0.001 0.000 0.220 630 C C 1.476 176.476 174.990 0.016 0.000 2.475 630 C CA 0.933 59.868 59.018 -0.137 0.000 1.361 630 C CB 0.901 28.524 27.740 -0.195 0.000 1.251 630 C HN 0.837 nan 8.230 nan 0.000 0.734 631 S N -0.281 115.415 115.700 -0.007 0.000 4.696 631 S HA 0.333 4.804 4.470 0.001 0.000 0.185 631 S C 1.645 176.232 174.600 -0.021 0.000 1.139 631 S CA 1.304 59.507 58.200 0.004 0.000 1.227 631 S CB -0.904 62.288 63.200 -0.014 0.000 1.682 631 S HN 1.081 nan 8.310 nan 0.000 0.551 632 A N 0.663 123.458 122.820 -0.043 0.000 2.066 632 A HA 0.491 4.811 4.320 0.001 0.000 0.218 632 A C 1.831 179.386 177.584 -0.049 0.000 1.157 632 A CA 1.537 53.547 52.037 -0.047 0.000 0.670 632 A CB -1.173 17.794 19.000 -0.054 0.000 0.804 632 A HN 1.824 nan 8.150 nan 0.000 0.453 633 G N -2.749 106.021 108.800 -0.051 0.000 2.143 633 G HA2 0.236 4.196 3.960 0.001 0.000 0.249 633 G HA3 0.236 4.196 3.960 0.001 0.000 0.249 633 G C 0.177 175.041 174.900 -0.059 0.000 0.981 633 G CA 0.493 45.561 45.100 -0.054 0.000 0.665 633 G HN 1.953 nan 8.290 nan 0.000 0.528 634 A N -2.000 120.789 122.820 -0.052 0.000 2.577 634 A HA 1.008 5.328 4.320 0.001 0.000 0.297 634 A C 0.881 178.447 177.584 -0.031 0.000 1.060 634 A CA 1.242 53.261 52.037 -0.030 0.000 0.697 634 A CB 0.875 19.876 19.000 0.003 0.000 1.281 634 A HN 2.168 nan 8.150 nan 0.000 0.402 635 G N 1.414 110.202 108.800 -0.021 0.000 1.801 635 G HA2 -0.137 3.823 3.960 0.001 0.000 0.203 635 G HA3 -0.137 3.823 3.960 0.001 0.000 0.203 635 G C 0.988 175.840 174.900 -0.080 0.000 2.274 635 G CA 0.395 45.476 45.100 -0.032 0.000 1.481 635 G HN 0.801 nan 8.290 nan 0.000 0.471 636 R N 0.317 120.669 120.500 -0.248 0.000 2.055 636 R HA 0.145 4.485 4.340 0.001 0.000 0.228 636 R C 2.811 179.032 176.300 -0.132 0.000 1.143 636 R CA 2.022 57.892 56.100 -0.383 0.000 0.945 636 R CB -1.008 28.839 30.300 -0.755 0.000 0.841 636 R HN 0.454 nan 8.270 nan 0.000 0.429 637 T N 0.410 114.881 114.554 -0.138 0.000 2.668 637 T HA -0.273 4.077 4.350 0.001 0.000 0.265 637 T C 1.875 176.563 174.700 -0.019 0.000 1.041 637 T CA 1.797 63.853 62.100 -0.074 0.000 1.160 637 T CB -0.898 67.919 68.868 -0.085 0.000 0.857 637 T HN 0.609 nan 8.240 nan 0.000 0.455 638 G N 0.806 109.593 108.800 -0.021 0.000 2.511 638 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 638 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 638 G C 1.715 176.637 174.900 0.036 0.000 1.218 638 G CA 1.558 46.658 45.100 0.001 0.000 0.788 638 G HN 0.467 nan 8.290 nan 0.000 0.560 639 T N 0.745 115.366 114.554 0.111 0.000 2.649 639 T HA -0.264 4.087 4.350 0.001 0.000 0.268 639 T C 1.913 176.693 174.700 0.134 0.000 1.036 639 T CA 1.760 63.980 62.100 0.200 0.000 1.157 639 T CB -0.357 68.763 68.868 0.421 0.000 0.861 639 T HN 0.257 nan 8.240 nan 0.000 0.445 640 F N 1.049 120.992 119.950 -0.011 0.000 2.084 640 F HA 0.000 4.527 4.527 0.001 0.000 0.296 640 F C 2.077 177.753 175.800 -0.206 0.000 1.111 640 F CA 1.047 58.995 58.000 -0.087 0.000 1.224 640 F CB -0.427 38.500 39.000 -0.122 0.000 0.991 640 F HN 0.088 nan 8.300 nan 0.000 0.471 641 I N 0.396 120.832 120.570 -0.224 0.000 2.208 641 I HA -0.342 3.828 4.170 0.001 0.000 0.245 641 I C 2.679 178.554 176.117 -0.404 0.000 1.097 641 I CA 1.256 62.197 61.300 -0.598 0.000 1.363 641 I CB -0.937 36.693 38.000 -0.618 0.000 1.051 641 I HN 0.288 nan 8.210 nan 0.000 0.413 642 A N 0.898 123.582 122.820 -0.227 0.000 1.865 642 A HA -0.183 4.137 4.320 0.001 0.000 0.217 642 A C 2.293 179.746 177.584 -0.218 0.000 1.191 642 A CA 1.567 53.508 52.037 -0.159 0.000 0.623 642 A CB -0.978 17.975 19.000 -0.079 0.000 0.826 642 A HN 0.378 nan 8.150 nan 0.000 0.444 643 L N -0.312 120.752 121.223 -0.265 0.000 2.083 643 L HA -0.170 4.171 4.340 0.001 0.000 0.209 643 L C 2.882 179.514 176.870 -0.396 0.000 1.083 643 L CA 1.309 55.949 54.840 -0.333 0.000 0.752 643 L CB -0.460 41.405 42.059 -0.323 0.000 0.899 643 L HN 0.350 nan 8.230 nan 0.000 0.433 644 S N 0.204 115.616 115.700 -0.480 0.000 2.359 644 S HA -0.190 4.280 4.470 0.001 0.000 0.223 644 S C 1.730 176.217 174.600 -0.188 0.000 1.039 644 S CA 1.731 59.708 58.200 -0.370 0.000 1.042 644 S CB -0.377 62.624 63.200 -0.332 0.000 0.915 644 S HN 0.464 nan 8.310 nan 0.000 0.439 645 N N 1.294 119.927 118.700 -0.113 0.000 2.142 645 N HA 0.071 4.811 4.740 0.001 0.000 0.186 645 N C 1.673 177.065 175.510 -0.196 0.000 1.023 645 N CA 0.878 53.898 53.050 -0.049 0.000 0.852 645 N CB -0.485 38.033 38.487 0.051 0.000 0.998 645 N HN 0.386 nan 8.380 nan 0.000 0.424 646 I N 0.688 121.119 120.570 -0.230 0.000 2.202 646 I HA -0.217 3.953 4.170 0.001 0.000 0.242 646 I C 2.031 177.932 176.117 -0.359 0.000 1.091 646 I CA 0.834 61.971 61.300 -0.270 0.000 1.368 646 I CB -0.226 37.607 38.000 -0.278 0.000 1.058 646 I HN 0.053 nan 8.210 nan 0.000 0.410 647 L N 0.739 121.699 121.223 -0.438 0.000 2.046 647 L HA -0.228 4.112 4.340 0.001 0.000 0.208 647 L C 3.184 179.766 176.870 -0.479 0.000 1.077 647 L CA 1.871 56.347 54.840 -0.606 0.000 0.747 647 L CB -1.150 40.442 42.059 -0.778 0.000 0.896 647 L HN 0.355 nan 8.230 nan 0.000 0.432 648 E N 0.596 120.555 120.200 -0.401 0.000 2.058 648 E HA -0.314 4.036 4.350 0.001 0.000 0.194 648 E C 2.241 178.498 176.600 -0.572 0.000 0.997 648 E CA 1.808 57.981 56.400 -0.380 0.000 0.801 648 E CB -0.709 28.816 29.700 -0.291 0.000 0.746 648 E HN 0.469 nan 8.360 nan 0.000 0.450 649 R N -0.431 119.594 120.500 -0.792 0.000 2.115 649 R HA -0.027 4.314 4.340 0.001 0.000 0.226 649 R C 2.471 178.583 176.300 -0.313 0.000 1.100 649 R CA 1.193 56.830 56.100 -0.772 0.000 0.980 649 R CB -0.362 29.565 30.300 -0.621 0.000 0.875 649 R HN 0.361 nan 8.270 nan 0.000 0.445 650 V N 1.494 121.259 119.914 -0.249 0.000 2.270 650 V HA -0.248 3.873 4.120 0.001 0.000 0.245 650 V C 2.879 178.964 176.094 -0.016 0.000 1.043 650 V CA 2.523 64.762 62.300 -0.102 0.000 1.014 650 V CB -0.709 31.064 31.823 -0.083 0.000 0.645 650 V HN 0.565 nan 8.190 nan 0.000 0.447 651 K N -0.030 120.369 120.400 -0.001 0.000 2.044 651 K HA -0.194 4.126 4.320 0.001 0.000 0.210 651 K C 2.163 178.771 176.600 0.013 0.000 1.049 651 K CA 2.279 58.607 56.287 0.069 0.000 0.927 651 K CB -1.258 31.292 32.500 0.084 0.000 0.713 651 K HN 0.626 nan 8.250 nan 0.000 0.443 652 A N 1.155 123.947 122.820 -0.047 0.000 1.826 652 A HA -0.070 4.250 4.320 0.001 0.000 0.214 652 A C 2.168 179.775 177.584 0.038 0.000 1.212 652 A CA 1.608 53.651 52.037 0.009 0.000 0.605 652 A CB -0.143 18.886 19.000 0.047 0.000 0.861 652 A HN 0.631 nan 8.150 nan 0.000 0.447 653 E N -1.325 118.892 120.200 0.028 0.000 2.472 653 E HA 0.275 4.625 4.350 0.001 0.000 0.196 653 E C 0.853 177.477 176.600 0.040 0.000 1.033 653 E CA 0.244 56.681 56.400 0.062 0.000 0.886 653 E CB 0.087 29.849 29.700 0.104 0.000 0.944 653 E HN 0.756 nan 8.360 nan 0.000 0.492 654 G N 1.962 110.774 108.800 0.020 0.000 2.249 654 G HA2 -0.283 3.678 3.960 0.001 0.000 0.273 654 G HA3 -0.283 3.678 3.960 0.001 0.000 0.273 654 G C -0.040 174.874 174.900 0.022 0.000 1.036 654 G CA 0.470 45.584 45.100 0.023 0.000 0.824 654 G HN 0.152 nan 8.290 nan 0.000 0.504 655 L N -1.346 119.884 121.223 0.011 0.000 2.327 655 L HA 0.882 5.222 4.340 0.001 0.000 0.258 655 L C -0.135 176.727 176.870 -0.013 0.000 1.024 655 L CA -1.230 53.620 54.840 0.017 0.000 0.825 655 L CB 2.548 44.634 42.059 0.045 0.000 1.386 655 L HN 0.125 nan 8.230 nan 0.000 0.417 656 L N 1.658 122.879 121.223 -0.003 0.000 2.541 656 L HA 0.434 4.774 4.340 0.001 0.000 0.266 656 L C -1.872 174.993 176.870 -0.009 0.000 0.966 656 L CA -0.144 54.672 54.840 -0.041 0.000 0.871 656 L CB 1.584 43.612 42.059 -0.051 0.000 1.232 656 L HN 0.542 nan 8.230 nan 0.000 0.408 657 D N 3.997 124.392 120.400 -0.009 0.000 2.400 657 D HA 0.179 4.820 4.640 0.001 0.000 0.272 657 D C 0.893 177.209 176.300 0.026 0.000 1.220 657 D CA -0.233 53.800 54.000 0.056 0.000 0.897 657 D CB 1.626 42.497 40.800 0.118 0.000 1.134 657 D HN 0.293 nan 8.370 nan 0.000 0.507 658 V N 2.575 122.442 119.914 -0.079 0.000 2.332 658 V HA -0.225 3.895 4.120 0.001 0.000 0.248 658 V C 2.169 178.328 176.094 0.109 0.000 1.055 658 V CA 1.539 63.740 62.300 -0.164 0.000 1.038 658 V CB -0.744 30.685 31.823 -0.658 0.000 0.651 658 V HN 0.513 nan 8.190 nan 0.000 0.450 659 F N 0.912 120.958 119.950 0.159 0.000 2.069 659 F HA -0.217 4.311 4.527 0.001 0.000 0.298 659 F C 2.631 178.506 175.800 0.124 0.000 1.113 659 F CA 1.991 60.143 58.000 0.254 0.000 1.214 659 F CB -0.301 38.830 39.000 0.218 0.000 0.978 659 F HN 0.083 nan 8.300 nan 0.000 0.474 660 Q N 0.619 120.544 119.800 0.208 0.000 2.119 660 Q HA -0.119 4.222 4.340 0.001 0.000 0.201 660 Q C 2.533 178.516 176.000 -0.029 0.000 0.972 660 Q CA 1.265 57.106 55.803 0.064 0.000 0.847 660 Q CB -1.019 27.843 28.738 0.205 0.000 0.903 660 Q HN 0.575 nan 8.270 nan 0.000 0.433 661 A N 0.714 123.541 122.820 0.013 0.000 1.884 661 A HA -0.194 4.127 4.320 0.001 0.000 0.219 661 A C 2.453 180.016 177.584 -0.034 0.000 1.197 661 A CA 2.102 54.136 52.037 -0.006 0.000 0.637 661 A CB -0.918 18.063 19.000 -0.031 0.000 0.827 661 A HN 0.218 nan 8.150 nan 0.000 0.450 662 V N 0.215 120.103 119.914 -0.043 0.000 2.307 662 V HA -0.248 3.873 4.120 0.001 0.000 0.245 662 V C 2.559 178.566 176.094 -0.146 0.000 1.045 662 V CA 2.325 64.603 62.300 -0.037 0.000 1.024 662 V CB -0.683 31.200 31.823 0.100 0.000 0.651 662 V HN 0.706 nan 8.190 nan 0.000 0.449 663 K N 0.403 120.601 120.400 -0.338 0.000 2.113 663 K HA -0.241 4.079 4.320 0.001 0.000 0.208 663 K C 2.269 178.759 176.600 -0.183 0.000 1.047 663 K CA 2.019 58.067 56.287 -0.398 0.000 0.928 663 K CB -0.376 31.707 32.500 -0.696 0.000 0.716 663 K HN 0.559 nan 8.250 nan 0.000 0.446 664 S N 1.053 116.690 115.700 -0.104 0.000 2.399 664 S HA -0.077 4.393 4.470 0.001 0.000 0.231 664 S C 1.942 176.553 174.600 0.018 0.000 1.022 664 S CA 1.120 59.314 58.200 -0.009 0.000 0.983 664 S CB -0.303 62.920 63.200 0.037 0.000 0.803 664 S HN 0.241 nan 8.310 nan 0.000 0.480 665 L N 0.152 121.372 121.223 -0.005 0.000 2.156 665 L HA -0.044 4.296 4.340 0.001 0.000 0.208 665 L C 2.819 179.702 176.870 0.022 0.000 1.095 665 L CA 0.568 55.416 54.840 0.014 0.000 0.770 665 L CB -0.144 41.911 42.059 -0.007 0.000 0.914 665 L HN 0.308 nan 8.230 nan 0.000 0.439 666 R N 0.036 120.527 120.500 -0.015 0.000 2.115 666 R HA -0.059 4.282 4.340 0.001 0.000 0.230 666 R C 2.033 178.384 176.300 0.084 0.000 1.111 666 R CA 1.018 57.112 56.100 -0.010 0.000 0.976 666 R CB -0.301 29.944 30.300 -0.091 0.000 0.870 666 R HN 0.392 nan 8.270 nan 0.000 0.445 667 L N 0.582 121.850 121.223 0.074 0.000 2.552 667 L HA -0.081 4.259 4.340 0.001 0.000 0.227 667 L C 1.850 178.881 176.870 0.270 0.000 1.146 667 L CA 0.912 55.820 54.840 0.113 0.000 0.858 667 L CB -0.162 41.920 42.059 0.038 0.000 0.969 667 L HN 0.239 nan 8.230 nan 0.000 0.451 668 Q N -0.631 119.333 119.800 0.272 0.000 2.396 668 Q HA 0.170 4.511 4.340 0.001 0.000 0.220 668 Q C 0.623 176.757 176.000 0.224 0.000 0.900 668 Q CA 0.146 56.125 55.803 0.293 0.000 0.925 668 Q CB 1.062 29.905 28.738 0.175 0.000 1.065 668 Q HN 0.229 nan 8.270 nan 0.000 0.535 669 R N 1.111 121.698 120.500 0.145 0.000 2.536 669 R HA 0.277 4.617 4.340 0.001 0.000 0.269 669 R C -2.981 173.257 176.300 -0.105 0.000 1.113 669 R CA -1.891 54.160 56.100 -0.082 0.000 0.948 669 R CB 1.955 32.195 30.300 -0.100 0.000 1.237 669 R HN -0.150 nan 8.270 nan 0.000 0.441 670 P HA 0.064 nan 4.420 nan 0.000 0.271 670 P C -0.989 176.238 177.300 -0.121 0.000 1.216 670 P CA 0.496 63.443 63.100 -0.254 0.000 0.776 670 P CB 0.361 31.868 31.700 -0.322 0.000 0.881 671 H N 0.380 119.431 119.070 -0.032 0.000 2.826 671 H HA -0.141 4.416 4.556 0.001 0.000 0.306 671 H C 1.178 176.504 175.328 -0.003 0.000 1.235 671 H CA 0.304 56.343 56.048 -0.014 0.000 1.150 671 H CB -1.517 28.235 29.762 -0.017 0.000 1.409 671 H HN 0.392 nan 8.280 nan 0.000 0.420 672 M N -0.162 119.471 119.600 0.054 0.000 2.101 672 M HA -0.031 4.450 4.480 0.001 0.000 0.259 672 M C 1.385 177.728 176.300 0.073 0.000 1.083 672 M CA 1.188 56.511 55.300 0.039 0.000 1.114 672 M CB -0.218 32.387 32.600 0.009 0.000 1.281 672 M HN 0.054 nan 8.290 nan 0.000 0.422 673 V N 0.603 120.582 119.914 0.107 0.000 2.583 673 V HA 0.001 4.121 4.120 0.001 0.000 0.287 673 V C 0.958 177.190 176.094 0.230 0.000 1.051 673 V CA 0.067 62.479 62.300 0.186 0.000 1.010 673 V CB 1.255 33.235 31.823 0.261 0.000 0.988 673 V HN 0.534 nan 8.190 nan 0.000 0.478 674 Q N 2.558 122.512 119.800 0.256 0.000 2.586 674 Q HA 0.127 4.467 4.340 0.001 0.000 0.243 674 Q C 0.747 176.971 176.000 0.373 0.000 0.846 674 Q CA 0.465 56.429 55.803 0.270 0.000 0.959 674 Q CB 1.033 29.865 28.738 0.157 0.000 1.227 674 Q HN 0.917 nan 8.270 nan 0.000 0.611 675 T N -1.404 113.298 114.554 0.245 0.000 2.895 675 T HA 0.281 4.631 4.350 0.001 0.000 0.283 675 T C 0.844 175.400 174.700 -0.239 0.000 1.014 675 T CA -0.681 61.476 62.100 0.095 0.000 1.037 675 T CB 1.587 70.497 68.868 0.069 0.000 1.006 675 T HN 0.220 nan 8.240 nan 0.000 0.468 676 L N 1.486 122.269 121.223 -0.733 0.000 2.127 676 L HA -0.035 4.305 4.340 0.001 0.000 0.211 676 L C 2.374 179.106 176.870 -0.231 0.000 1.089 676 L CA 1.805 56.093 54.840 -0.921 0.000 0.757 676 L CB -0.943 40.664 42.059 -0.753 0.000 0.899 676 L HN 0.880 nan 8.230 nan 0.000 0.434 677 E N -0.684 119.461 120.200 -0.092 0.000 2.049 677 E HA -0.319 4.032 4.350 0.001 0.000 0.198 677 E C 2.175 178.858 176.600 0.138 0.000 1.007 677 E CA 1.913 58.333 56.400 0.033 0.000 0.809 677 E CB -0.259 29.469 29.700 0.047 0.000 0.749 677 E HN 0.673 nan 8.360 nan 0.000 0.450 678 Q N -0.565 119.345 119.800 0.183 0.000 2.167 678 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 678 Q C 1.883 178.101 176.000 0.364 0.000 0.970 678 Q CA 1.257 57.256 55.803 0.327 0.000 0.855 678 Q CB -0.134 28.798 28.738 0.323 0.000 0.911 678 Q HN 0.350 nan 8.270 nan 0.000 0.438 679 Y N 1.441 121.827 120.300 0.143 0.000 2.184 679 Y HA -0.156 4.394 4.550 0.001 0.000 0.290 679 Y C 1.869 177.911 175.900 0.237 0.000 1.129 679 Y CA 1.472 59.683 58.100 0.185 0.000 1.144 679 Y CB 0.140 38.692 38.460 0.152 0.000 0.995 679 Y HN 0.048 nan 8.280 nan 0.000 0.513 680 E N -0.515 119.824 120.200 0.231 0.000 2.070 680 E HA -0.286 4.065 4.350 0.001 0.000 0.197 680 E C 2.016 178.721 176.600 0.175 0.000 1.004 680 E CA 1.573 58.065 56.400 0.153 0.000 0.805 680 E CB -0.551 29.215 29.700 0.109 0.000 0.744 680 E HN 0.503 nan 8.360 nan 0.000 0.451 681 F N 1.356 121.331 119.950 0.042 0.000 2.120 681 F HA -0.299 4.228 4.527 0.000 0.000 0.300 681 F C 2.277 178.073 175.800 -0.007 0.000 1.095 681 F CA 1.121 59.126 58.000 0.009 0.000 1.249 681 F CB -0.581 38.423 39.000 0.007 0.000 0.995 681 F HN 0.067 nan 8.300 nan 0.000 0.480 682 C N -0.458 118.786 119.300 -0.093 0.000 2.398 682 C HA -0.243 4.218 4.460 0.001 0.000 0.276 682 C C 2.598 177.388 174.990 -0.334 0.000 1.222 682 C CA 1.354 60.201 59.018 -0.285 0.000 1.746 682 C CB -1.645 25.927 27.740 -0.280 0.000 2.039 682 C HN 0.558 nan 8.230 nan 0.000 0.470 683 Y N 1.479 121.617 120.300 -0.269 0.000 2.145 683 Y HA -0.185 4.366 4.550 0.001 0.000 0.286 683 Y C 2.705 178.497 175.900 -0.180 0.000 1.145 683 Y CA 2.429 60.408 58.100 -0.201 0.000 1.148 683 Y CB -0.700 37.664 38.460 -0.159 0.000 0.981 683 Y HN 0.347 nan 8.280 nan 0.000 0.507 684 K N 0.102 120.485 120.400 -0.028 0.000 2.103 684 K HA -0.133 4.187 4.320 0.001 0.000 0.207 684 K C 2.046 178.533 176.600 -0.188 0.000 1.048 684 K CA 1.910 58.150 56.287 -0.079 0.000 0.930 684 K CB -1.551 30.933 32.500 -0.027 0.000 0.716 684 K HN 0.255 nan 8.250 nan 0.000 0.444 685 V N 0.554 120.230 119.914 -0.397 0.000 2.379 685 V HA -0.197 3.923 4.120 0.001 0.000 0.245 685 V C 2.463 178.450 176.094 -0.178 0.000 1.044 685 V CA 1.485 63.566 62.300 -0.366 0.000 1.036 685 V CB -0.144 31.336 31.823 -0.572 0.000 0.664 685 V HN 0.382 nan 8.190 nan 0.000 0.453 686 V N 0.101 119.895 119.914 -0.200 0.000 2.324 686 V HA -0.362 3.758 4.120 0.001 0.000 0.250 686 V C 3.102 179.203 176.094 0.012 0.000 1.060 686 V CA 2.811 65.046 62.300 -0.107 0.000 1.042 686 V CB -1.150 30.560 31.823 -0.187 0.000 0.650 686 V HN 0.724 nan 8.190 nan 0.000 0.450 687 Q N -0.321 119.475 119.800 -0.007 0.000 2.061 687 Q HA -0.329 4.011 4.340 0.001 0.000 0.204 687 Q C 1.968 177.980 176.000 0.021 0.000 0.984 687 Q CA 3.173 58.987 55.803 0.019 0.000 0.846 687 Q CB -1.829 26.920 28.738 0.018 0.000 0.902 687 Q HN 0.844 nan 8.270 nan 0.000 0.421 688 D N -0.856 119.550 120.400 0.011 0.000 2.144 688 D HA -0.063 4.578 4.640 0.001 0.000 0.199 688 D C 1.753 178.081 176.300 0.047 0.000 0.984 688 D CA 1.368 55.377 54.000 0.016 0.000 0.834 688 D CB -0.496 40.306 40.800 0.003 0.000 0.955 688 D HN 0.609 nan 8.370 nan 0.000 0.465 689 F N 0.677 120.577 119.950 -0.083 0.000 2.075 689 F HA -0.000 4.527 4.527 0.001 0.000 0.297 689 F C 2.368 178.133 175.800 -0.059 0.000 1.113 689 F CA 1.329 59.283 58.000 -0.077 0.000 1.218 689 F CB -0.302 38.636 39.000 -0.103 0.000 0.984 689 F HN 0.124 nan 8.300 nan 0.000 0.472 690 I N 0.682 121.288 120.570 0.061 0.000 2.229 690 I HA -0.288 3.882 4.170 0.001 0.000 0.250 690 I C 1.413 177.463 176.117 -0.112 0.000 1.096 690 I CA 1.443 62.720 61.300 -0.039 0.000 1.358 690 I CB -1.433 36.583 38.000 0.025 0.000 1.047 690 I HN 0.413 nan 8.210 nan 0.000 0.422 691 D N 0.000 120.348 120.400 -0.087 0.000 6.856 691 D HA 0.000 4.640 4.640 0.001 0.000 0.175 691 D CA 0.000 53.949 54.000 -0.085 0.000 0.868 691 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683