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 2zzq_1_A DATA FIRST_RESID 118 DATA SEQUENCE DTPPVPDVDS RGAILRRQYN LSTSPLTSSV ATGTNLVLYA APLSPLLPLQ DATA SEQUENCE DGTNTHIMAT EASNYAQYRV ARATIRYRPL VPNAVGGYAI SISFWPQTTT DATA SEQUENCE TPTSVDMNSI TSTDVRILVQ PGIASELVIP SERLHYRNQG WRSVETSGVA DATA SEQUENCE EEEATSGLVM LCIHGSPVNS YTNTPYTGAL GLLDFALELE FRNLTPGNTN DATA SEQUENCE TRVSRYSSTA RHRLRRGADG TAELTTTAAT RFMKDLYFTS TNGVGEIGRG DATA SEQUENCE IALTLFNLAD TLLGGLPTEL ISSAGGQLFY SRPVVSANGE PTVKLYTSVE DATA SEQUENCE NAQQDKGIAI PHDIDLGESR VVIQDYDNQH EQDRPTPSPA PSRPFSVLRA DATA SEQUENCE NDVLWLSLTA AEYDQSTYGS STGPVYVSDS VTLVNVATGA QAVARSLDWT DATA SEQUENCE KVTLDGRPLS TIQQYSKTFF VLPLRGKLSF WEAGTTKXXX XXXYNTTASD DATA SEQUENCE QLLVENAAGH RVAISTYTTS LGAGPVSISA VAVLAPHSA 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 118 D HA 0.000 nan 4.640 nan 0.000 0.175 118 D C 0.000 176.300 176.300 -0.000 0.000 2.045 118 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 118 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 119 T N 1.565 116.119 114.554 0.000 0.000 2.881 119 T HA 0.562 4.911 4.350 -0.001 0.000 0.290 119 T C -2.430 172.271 174.700 0.001 0.000 1.000 119 T CA -0.912 61.188 62.100 0.000 0.000 0.978 119 T CB 1.829 70.698 68.868 0.000 0.000 0.997 119 T HN 0.212 nan 8.240 nan 0.000 0.443 120 P HA 0.362 nan 4.420 nan 0.000 0.271 120 P C -2.689 174.612 177.300 0.002 0.000 1.216 120 P CA -1.072 62.029 63.100 0.001 0.000 0.771 120 P CB -0.387 31.314 31.700 0.001 0.000 0.864 121 P HA 0.129 nan 4.420 nan 0.000 0.276 121 P C -0.592 176.711 177.300 0.004 0.000 1.235 121 P CA -0.273 62.829 63.100 0.003 0.000 0.772 121 P CB 0.418 32.120 31.700 0.003 0.000 0.871 122 V N 6.128 126.045 119.914 0.005 0.000 2.439 122 V HA 0.178 4.297 4.120 -0.001 0.000 0.271 122 V C -1.082 175.017 176.094 0.007 0.000 1.040 122 V CA -0.996 61.308 62.300 0.006 0.000 1.002 122 V CB -0.129 31.698 31.823 0.007 0.000 1.000 122 V HN 0.668 nan 8.190 nan 0.000 0.477 123 P HA 0.397 nan 4.420 nan 0.000 0.276 123 P C -0.620 176.686 177.300 0.010 0.000 1.252 123 P CA -0.444 62.661 63.100 0.009 0.000 0.802 123 P CB 1.487 33.193 31.700 0.009 0.000 1.035 124 D N -0.577 119.829 120.400 0.009 0.000 2.538 124 D HA 0.207 4.846 4.640 -0.001 0.000 0.231 124 D C 0.009 176.315 176.300 0.010 0.000 1.229 124 D CA 0.002 54.008 54.000 0.009 0.000 0.828 124 D CB 0.259 41.064 40.800 0.007 0.000 1.035 124 D HN 0.014 nan 8.370 nan 0.000 0.495 125 V N 0.147 120.067 119.914 0.011 0.000 3.096 125 V HA 0.282 4.402 4.120 -0.001 0.000 0.319 125 V C 0.301 176.404 176.094 0.016 0.000 1.082 125 V CA -0.916 61.391 62.300 0.012 0.000 1.022 125 V CB 1.683 33.513 31.823 0.011 0.000 1.103 125 V HN -0.003 nan 8.190 nan 0.000 0.455 126 D N 1.462 121.872 120.400 0.017 0.000 2.365 126 D HA 0.193 4.832 4.640 -0.001 0.000 0.237 126 D C 1.084 177.399 176.300 0.025 0.000 1.190 126 D CA 0.189 54.202 54.000 0.021 0.000 0.867 126 D CB 1.501 42.312 40.800 0.020 0.000 1.050 126 D HN 0.680 nan 8.370 nan 0.000 0.491 127 S N 4.095 119.811 115.700 0.027 0.000 2.482 127 S HA -0.182 4.287 4.470 -0.001 0.000 0.226 127 S C 1.095 175.714 174.600 0.033 0.000 1.048 127 S CA 0.725 58.942 58.200 0.027 0.000 1.158 127 S CB 0.243 63.459 63.200 0.027 0.000 1.130 127 S HN 0.474 nan 8.310 nan 0.000 0.413 128 R N -0.948 119.578 120.500 0.044 0.000 3.405 128 R HA 0.530 4.870 4.340 -0.001 0.000 0.194 128 R C 2.037 178.388 176.300 0.085 0.000 1.259 128 R CA -0.157 55.977 56.100 0.057 0.000 0.805 128 R CB -0.489 29.842 30.300 0.052 0.000 1.390 128 R HN 0.386 nan 8.270 nan 0.000 0.447 129 G N 0.295 109.169 108.800 0.124 0.000 2.430 129 G HA2 0.127 4.086 3.960 -0.001 0.000 0.216 129 G HA3 0.127 4.086 3.960 -0.001 0.000 0.216 129 G C 0.199 175.237 174.900 0.230 0.000 1.146 129 G CA 0.669 45.900 45.100 0.218 0.000 0.793 129 G HN 0.510 nan 8.290 nan 0.000 0.537 130 A N -0.718 122.203 122.820 0.169 0.000 2.311 130 A HA 0.761 5.081 4.320 -0.001 0.000 0.334 130 A C 0.472 178.103 177.584 0.079 0.000 1.139 130 A CA -0.667 51.458 52.037 0.146 0.000 0.830 130 A CB 1.243 20.317 19.000 0.123 0.000 1.234 130 A HN 0.093 nan 8.150 nan 0.000 0.483 131 I N -0.367 120.241 120.570 0.063 0.000 4.181 131 I HA 0.200 4.369 4.170 -0.001 0.000 0.331 131 I C -0.768 175.349 176.117 -0.001 0.000 1.312 131 I CA 0.599 61.930 61.300 0.052 0.000 1.146 131 I CB 0.729 38.792 38.000 0.105 0.000 1.074 131 I HN 0.349 nan 8.210 nan 0.000 0.402 132 L N 2.262 123.453 121.223 -0.054 0.000 2.676 132 L HA 0.318 4.657 4.340 -0.001 0.000 0.262 132 L C -0.518 176.229 176.870 -0.205 0.000 0.965 132 L CA -0.393 54.364 54.840 -0.139 0.000 0.920 132 L CB 0.936 42.850 42.059 -0.242 0.000 1.260 132 L HN 0.126 nan 8.230 nan 0.000 0.422 133 R N 3.441 123.841 120.500 -0.167 0.000 2.295 133 R HA 0.881 5.221 4.340 -0.001 0.000 0.324 133 R C -0.653 175.497 176.300 -0.250 0.000 0.968 133 R CA -0.824 55.161 56.100 -0.193 0.000 0.837 133 R CB 1.763 31.997 30.300 -0.110 0.000 1.133 133 R HN 0.616 nan 8.270 nan 0.000 0.450 134 R N 2.011 122.294 120.500 -0.361 0.000 2.698 134 R HA 0.212 4.551 4.340 -0.001 0.000 0.275 134 R C -1.627 174.363 176.300 -0.516 0.000 1.001 134 R CA -0.766 55.061 56.100 -0.456 0.000 0.896 134 R CB 2.336 32.275 30.300 -0.602 0.000 1.218 134 R HN 0.776 nan 8.270 nan 0.000 0.462 135 Q N 3.063 122.576 119.800 -0.479 0.000 2.333 135 Q HA 0.321 4.660 4.340 -0.001 0.000 0.265 135 Q C -1.706 174.053 176.000 -0.402 0.000 0.989 135 Q CA -0.653 54.947 55.803 -0.338 0.000 0.842 135 Q CB 1.027 29.661 28.738 -0.174 0.000 1.262 135 Q HN 0.637 nan 8.270 nan 0.000 0.451 136 Y N 2.051 122.329 120.300 -0.036 0.000 2.420 136 Y HA 0.474 5.024 4.550 -0.001 0.000 0.334 136 Y C -0.014 175.881 175.900 -0.008 0.000 1.094 136 Y CA -0.898 57.186 58.100 -0.028 0.000 1.126 136 Y CB 1.661 40.098 38.460 -0.039 0.000 1.217 136 Y HN 0.557 nan 8.280 nan 0.000 0.462 137 N N 3.995 122.786 118.700 0.151 0.000 2.577 137 N HA 0.443 5.182 4.740 -0.001 0.000 0.275 137 N C -1.745 173.807 175.510 0.070 0.000 1.091 137 N CA -0.321 52.787 53.050 0.096 0.000 0.843 137 N CB 1.752 40.271 38.487 0.053 0.000 1.295 137 N HN 0.522 nan 8.380 nan 0.000 0.530 138 L N 0.767 122.025 121.223 0.058 0.000 2.401 138 L HA 0.568 4.907 4.340 -0.001 0.000 0.266 138 L C -0.255 176.632 176.870 0.028 0.000 0.991 138 L CA -0.704 54.125 54.840 -0.019 0.000 0.818 138 L CB 2.214 44.161 42.059 -0.186 0.000 1.321 138 L HN 0.233 nan 8.230 nan 0.000 0.413 139 S N -0.025 115.675 115.700 0.000 0.000 2.502 139 S HA 0.457 4.926 4.470 -0.001 0.000 0.304 139 S C -0.299 174.277 174.600 -0.039 0.000 1.097 139 S CA -0.661 57.551 58.200 0.020 0.000 1.045 139 S CB 1.877 65.081 63.200 0.008 0.000 1.019 139 S HN 0.539 nan 8.310 nan 0.000 0.481 140 T N 3.516 118.032 114.554 -0.064 0.000 2.930 140 T HA 0.174 4.523 4.350 -0.001 0.000 0.306 140 T C 0.693 175.338 174.700 -0.092 0.000 1.045 140 T CA -0.202 61.812 62.100 -0.144 0.000 1.134 140 T CB 0.210 68.872 68.868 -0.344 0.000 0.961 140 T HN 0.685 nan 8.240 nan 0.000 0.545 141 S N 4.991 120.653 115.700 -0.063 0.000 2.560 141 S HA 0.109 4.579 4.470 -0.001 0.000 0.276 141 S C -2.092 172.485 174.600 -0.038 0.000 1.350 141 S CA -1.194 56.985 58.200 -0.034 0.000 1.024 141 S CB -0.551 62.641 63.200 -0.013 0.000 0.864 141 S HN 0.586 nan 8.310 nan 0.000 0.536 142 P HA -0.017 nan 4.420 nan 0.000 0.264 142 P C -0.808 176.490 177.300 -0.003 0.000 1.173 142 P CA 0.393 63.482 63.100 -0.018 0.000 0.761 142 P CB 0.227 31.919 31.700 -0.013 0.000 0.794 143 L N 2.515 123.748 121.223 0.016 0.000 2.322 143 L HA 0.515 4.854 4.340 -0.001 0.000 0.279 143 L C 0.726 177.614 176.870 0.030 0.000 1.036 143 L CA -0.284 54.583 54.840 0.044 0.000 0.807 143 L CB 1.676 43.786 42.059 0.086 0.000 1.226 143 L HN 0.333 nan 8.230 nan 0.000 0.433 144 T N 0.480 115.047 114.554 0.021 0.000 2.912 144 T HA 0.231 4.581 4.350 -0.001 0.000 0.299 144 T C -0.664 174.026 174.700 -0.016 0.000 1.052 144 T CA -0.485 61.601 62.100 -0.023 0.000 0.996 144 T CB 1.965 70.805 68.868 -0.048 0.000 1.070 144 T HN 0.487 nan 8.240 nan 0.000 0.465 145 S N 1.226 116.895 115.700 -0.050 0.000 2.420 145 S HA 0.391 4.860 4.470 -0.001 0.000 0.313 145 S C 1.075 175.647 174.600 -0.046 0.000 1.079 145 S CA -0.618 57.559 58.200 -0.038 0.000 1.104 145 S CB 0.204 63.370 63.200 -0.057 0.000 0.969 145 S HN 0.732 nan 8.310 nan 0.000 0.471 146 S N 3.317 119.005 115.700 -0.020 0.000 2.524 146 S HA 0.206 4.675 4.470 -0.001 0.000 0.215 146 S C 0.163 174.759 174.600 -0.007 0.000 0.986 146 S CA -0.283 57.905 58.200 -0.020 0.000 0.911 146 S CB 0.074 63.272 63.200 -0.003 0.000 0.805 146 S HN 0.481 nan 8.310 nan 0.000 0.501 147 V N 2.528 122.442 119.914 0.000 0.000 2.318 147 V HA 0.623 4.742 4.120 -0.001 0.000 0.271 147 V C 1.205 177.302 176.094 0.005 0.000 1.030 147 V CA -0.151 62.153 62.300 0.007 0.000 0.844 147 V CB 0.354 32.187 31.823 0.017 0.000 1.015 147 V HN 0.425 nan 8.190 nan 0.000 0.460 148 A N 3.549 126.373 122.820 0.007 0.000 2.066 148 A HA -0.025 4.295 4.320 -0.001 0.000 0.218 148 A C 1.614 179.211 177.584 0.021 0.000 1.157 148 A CA 1.339 53.385 52.037 0.014 0.000 0.670 148 A CB -0.208 18.803 19.000 0.018 0.000 0.804 148 A HN 0.722 nan 8.150 nan 0.000 0.453 149 T N 0.012 114.578 114.554 0.019 0.000 3.332 149 T HA 0.429 4.779 4.350 -0.001 0.000 0.246 149 T C 0.445 175.159 174.700 0.023 0.000 0.943 149 T CA 0.341 62.455 62.100 0.022 0.000 0.922 149 T CB 0.082 68.961 68.868 0.018 0.000 1.086 149 T HN 0.399 nan 8.240 nan 0.000 0.590 150 G N 0.095 108.909 108.800 0.023 0.000 2.814 150 G HA2 0.436 4.395 3.960 -0.001 0.000 0.300 150 G HA3 0.436 4.395 3.960 -0.001 0.000 0.300 150 G C 0.535 175.450 174.900 0.025 0.000 1.406 150 G CA -0.507 44.607 45.100 0.023 0.000 1.041 150 G HN 0.158 nan 8.290 nan 0.000 0.532 151 T N 1.680 116.255 114.554 0.035 0.000 2.612 151 T HA -0.074 4.275 4.350 -0.001 0.000 0.259 151 T C 0.974 175.697 174.700 0.038 0.000 1.065 151 T CA 0.827 62.956 62.100 0.050 0.000 1.167 151 T CB -0.056 68.849 68.868 0.062 0.000 0.863 151 T HN 0.404 nan 8.240 nan 0.000 0.407 152 N N 1.957 120.679 118.700 0.037 0.000 2.609 152 N HA 0.444 5.183 4.740 -0.001 0.000 0.234 152 N C -1.278 174.214 175.510 -0.029 0.000 1.001 152 N CA -0.022 53.030 53.050 0.003 0.000 0.926 152 N CB 1.171 39.720 38.487 0.103 0.000 1.130 152 N HN 0.310 nan 8.380 nan 0.000 0.510 153 L N 1.315 122.490 121.223 -0.080 0.000 2.365 153 L HA 0.488 4.827 4.340 -0.001 0.000 0.273 153 L C -0.138 176.699 176.870 -0.056 0.000 1.000 153 L CA -1.133 53.682 54.840 -0.042 0.000 0.819 153 L CB 2.497 44.545 42.059 -0.018 0.000 1.284 153 L HN 0.033 nan 8.230 nan 0.000 0.418 154 V N 4.811 124.714 119.914 -0.019 0.000 2.372 154 V HA 0.120 4.239 4.120 -0.001 0.000 0.261 154 V C 1.062 177.175 176.094 0.033 0.000 1.055 154 V CA -0.130 62.169 62.300 -0.003 0.000 0.930 154 V CB 1.020 32.829 31.823 -0.023 0.000 1.031 154 V HN 0.664 nan 8.190 nan 0.000 0.479 155 L N 4.604 125.867 121.223 0.067 0.000 2.492 155 L HA 0.241 4.580 4.340 -0.001 0.000 0.223 155 L C 0.132 177.147 176.870 0.242 0.000 1.132 155 L CA 0.767 55.677 54.840 0.118 0.000 0.850 155 L CB -0.127 41.994 42.059 0.103 0.000 0.966 155 L HN 0.612 nan 8.230 nan 0.000 0.454 156 Y N -0.168 120.162 120.300 0.050 0.000 2.409 156 Y HA 0.559 5.108 4.550 -0.001 0.000 0.321 156 Y C -1.393 174.553 175.900 0.077 0.000 1.209 156 Y CA -1.195 56.948 58.100 0.071 0.000 1.086 156 Y CB 1.070 39.600 38.460 0.116 0.000 1.320 156 Y HN -0.175 nan 8.280 nan 0.000 0.440 157 A N 3.644 126.188 122.820 -0.460 0.000 2.371 157 A HA 1.005 5.325 4.320 -0.001 0.000 0.311 157 A C -1.525 175.827 177.584 -0.386 0.000 1.068 157 A CA -0.091 51.792 52.037 -0.256 0.000 0.744 157 A CB 1.260 20.119 19.000 -0.235 0.000 1.239 157 A HN 1.549 nan 8.150 nan 0.000 0.435 158 A N 3.148 125.950 122.820 -0.030 0.000 2.456 158 A HA 0.799 5.118 4.320 -0.001 0.000 0.288 158 A C -3.294 174.413 177.584 0.205 0.000 1.042 158 A CA -1.298 50.788 52.037 0.081 0.000 0.738 158 A CB 1.627 20.826 19.000 0.331 0.000 1.266 158 A HN 0.529 nan 8.150 nan 0.000 0.407 159 P HA 0.313 nan 4.420 nan 0.000 0.287 159 P C -0.384 177.077 177.300 0.269 0.000 1.307 159 P CA -0.071 63.166 63.100 0.227 0.000 0.777 159 P CB 0.758 32.599 31.700 0.235 0.000 0.883 160 L N 2.767 124.189 121.223 0.331 0.000 2.700 160 L HA 0.095 4.434 4.340 -0.001 0.000 0.272 160 L C 1.029 178.062 176.870 0.271 0.000 1.176 160 L CA 1.094 56.138 54.840 0.341 0.000 0.961 160 L CB -0.449 41.859 42.059 0.415 0.000 1.249 160 L HN 0.512 nan 8.230 nan 0.000 0.487 161 S N 4.323 120.097 115.700 0.124 0.000 2.543 161 S HA 0.432 4.901 4.470 -0.001 0.000 0.274 161 S C -2.220 172.256 174.600 -0.206 0.000 1.149 161 S CA -0.985 57.169 58.200 -0.075 0.000 0.866 161 S CB 2.029 65.221 63.200 -0.014 0.000 1.111 161 S HN 0.369 nan 8.310 nan 0.000 0.457 162 P HA 0.088 nan 4.420 nan 0.000 0.236 162 P C 0.356 177.569 177.300 -0.145 0.000 1.172 162 P CA 0.588 63.521 63.100 -0.279 0.000 0.759 162 P CB -0.156 31.328 31.700 -0.359 0.000 0.843 163 L N -0.636 120.495 121.223 -0.152 0.000 3.141 163 L HA 0.265 4.604 4.340 -0.001 0.000 0.267 163 L C 0.458 177.300 176.870 -0.047 0.000 1.281 163 L CA -0.838 53.937 54.840 -0.108 0.000 1.037 163 L CB 0.138 42.105 42.059 -0.154 0.000 1.407 163 L HN -0.098 nan 8.230 nan 0.000 0.566 164 L N 4.204 125.424 121.223 -0.005 0.000 2.369 164 L HA 0.267 4.607 4.340 -0.001 0.000 0.279 164 L C -1.802 175.096 176.870 0.046 0.000 1.108 164 L CA -1.417 53.421 54.840 -0.003 0.000 0.852 164 L CB 0.212 42.202 42.059 -0.114 0.000 1.169 164 L HN -0.061 nan 8.230 nan 0.000 0.452 165 P HA 0.020 nan 4.420 nan 0.000 0.266 165 P C 0.333 177.685 177.300 0.086 0.000 1.419 165 P CA 0.287 63.401 63.100 0.024 0.000 1.112 165 P CB 0.349 32.041 31.700 -0.013 0.000 1.438 166 L N 0.886 122.146 121.223 0.060 0.000 2.316 166 L HA 0.093 4.433 4.340 -0.001 0.000 0.207 166 L C 1.622 178.495 176.870 0.006 0.000 1.070 166 L CA 0.375 55.219 54.840 0.007 0.000 0.820 166 L CB -0.407 41.579 42.059 -0.121 0.000 0.992 166 L HN 0.248 nan 8.230 nan 0.000 0.466 167 Q N 0.345 120.155 119.800 0.016 0.000 2.584 167 Q HA -0.075 4.265 4.340 -0.001 0.000 0.218 167 Q C 0.726 176.714 176.000 -0.020 0.000 1.079 167 Q CA 0.687 56.486 55.803 -0.006 0.000 1.008 167 Q CB 0.583 29.315 28.738 -0.010 0.000 1.267 167 Q HN 0.029 nan 8.270 nan 0.000 0.586 168 D N -0.445 119.943 120.400 -0.020 0.000 2.201 168 D HA 0.084 4.724 4.640 -0.001 0.000 0.209 168 D C 0.551 176.799 176.300 -0.086 0.000 0.961 168 D CA 0.905 54.893 54.000 -0.021 0.000 0.861 168 D CB 0.229 41.039 40.800 0.017 0.000 0.997 168 D HN 0.596 nan 8.370 nan 0.000 0.486 169 G N -0.592 108.171 108.800 -0.061 0.000 2.783 169 G HA2 0.187 4.146 3.960 -0.001 0.000 0.182 169 G HA3 0.187 4.146 3.960 -0.001 0.000 0.182 169 G C -0.345 174.417 174.900 -0.230 0.000 1.516 169 G CA -0.058 44.995 45.100 -0.078 0.000 1.079 169 G HN 0.024 nan 8.290 nan 0.000 0.573 170 T N 1.884 116.386 114.554 -0.087 0.000 2.832 170 T HA 0.438 4.787 4.350 -0.001 0.000 0.313 170 T C -0.260 174.403 174.700 -0.062 0.000 1.035 170 T CA -0.330 61.715 62.100 -0.091 0.000 0.950 170 T CB -0.063 68.825 68.868 0.034 0.000 0.984 170 T HN 0.371 nan 8.240 nan 0.000 0.486 171 N N 1.256 119.901 118.700 -0.092 0.000 3.283 171 N HA 0.568 5.307 4.740 -0.001 0.000 0.338 171 N C -0.632 174.798 175.510 -0.134 0.000 1.517 171 N CA -0.623 52.379 53.050 -0.081 0.000 0.733 171 N CB 2.101 40.559 38.487 -0.048 0.000 1.797 171 N HN 0.310 nan 8.380 nan 0.000 0.637 172 T N -0.460 114.019 114.554 -0.125 0.000 2.883 172 T HA 0.555 4.905 4.350 -0.001 0.000 0.296 172 T C -1.727 172.902 174.700 -0.118 0.000 1.117 172 T CA -0.490 61.486 62.100 -0.206 0.000 1.006 172 T CB 1.218 70.005 68.868 -0.135 0.000 1.191 172 T HN 0.787 nan 8.240 nan 0.000 0.508 173 H N -0.666 118.373 119.070 -0.052 0.000 3.085 173 H HA 0.499 5.054 4.556 -0.001 0.000 0.356 173 H C 0.724 176.027 175.328 -0.041 0.000 1.178 173 H CA -1.019 55.002 56.048 -0.044 0.000 1.214 173 H CB -0.304 29.415 29.762 -0.071 0.000 1.881 173 H HN 0.452 nan 8.280 nan 0.000 0.538 174 I N 0.966 121.667 120.570 0.219 0.000 2.203 174 I HA -0.479 3.691 4.170 -0.001 0.000 0.237 174 I C 2.874 179.103 176.117 0.186 0.000 0.993 174 I CA 2.720 64.148 61.300 0.213 0.000 1.277 174 I CB -0.530 37.644 38.000 0.290 0.000 0.984 174 I HN 0.772 nan 8.210 nan 0.000 0.402 175 M N 0.968 120.527 119.600 -0.068 0.000 2.405 175 M HA -0.378 4.101 4.480 -0.001 0.000 0.256 175 M C 2.400 178.660 176.300 -0.067 0.000 1.067 175 M CA 2.954 57.873 55.300 -0.635 0.000 1.073 175 M CB -0.287 31.736 32.600 -0.962 0.000 1.273 175 M HN 0.382 nan 8.290 nan 0.000 0.443 176 A N -0.216 122.664 122.820 0.099 0.000 1.834 176 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 176 A C 2.051 179.613 177.584 -0.036 0.000 1.203 176 A CA 2.715 54.714 52.037 -0.064 0.000 0.621 176 A CB -1.638 17.180 19.000 -0.304 0.000 0.841 176 A HN 0.687 nan 8.150 nan 0.000 0.446 177 T N 0.297 114.836 114.554 -0.026 0.000 2.882 177 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 177 T C 1.380 176.134 174.700 0.091 0.000 1.104 177 T CA 1.961 64.069 62.100 0.014 0.000 1.118 177 T CB -0.343 68.542 68.868 0.028 0.000 0.831 177 T HN 0.728 nan 8.240 nan 0.000 0.529 178 E N 0.013 120.320 120.200 0.178 0.000 2.330 178 E HA 0.323 4.673 4.350 -0.001 0.000 0.200 178 E C 2.538 179.358 176.600 0.368 0.000 0.922 178 E CA 0.443 57.034 56.400 0.318 0.000 0.935 178 E CB -0.015 29.948 29.700 0.439 0.000 0.917 178 E HN 0.443 nan 8.360 nan 0.000 0.491 179 A N 1.963 124.891 122.820 0.181 0.000 1.930 179 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 179 A C 2.325 179.791 177.584 -0.196 0.000 1.175 179 A CA 1.633 53.444 52.037 -0.377 0.000 0.627 179 A CB -0.655 18.051 19.000 -0.490 0.000 0.815 179 A HN 0.267 nan 8.150 nan 0.000 0.443 180 S N 0.620 116.263 115.700 -0.096 0.000 2.461 180 S HA -0.208 4.261 4.470 -0.001 0.000 0.246 180 S C 0.860 175.400 174.600 -0.101 0.000 1.007 180 S CA 1.636 59.776 58.200 -0.099 0.000 0.976 180 S CB -0.791 62.360 63.200 -0.081 0.000 0.763 180 S HN 0.707 nan 8.310 nan 0.000 0.508 181 N N -0.134 118.511 118.700 -0.092 0.000 2.235 181 N HA 0.319 5.058 4.740 -0.001 0.000 0.209 181 N C -0.929 174.234 175.510 -0.577 0.000 1.122 181 N CA -0.145 52.728 53.050 -0.294 0.000 0.845 181 N CB 0.294 38.572 38.487 -0.348 0.000 1.004 181 N HN 0.447 nan 8.380 nan 0.000 0.499 182 Y N -1.169 119.049 120.300 -0.137 0.000 2.576 182 Y HA 0.629 5.179 4.550 -0.001 0.000 0.346 182 Y C 0.847 176.673 175.900 -0.124 0.000 1.018 182 Y CA -1.244 56.788 58.100 -0.113 0.000 1.050 182 Y CB 1.399 39.800 38.460 -0.099 0.000 1.280 182 Y HN -0.140 nan 8.280 nan 0.000 0.474 183 A N 0.507 123.366 122.820 0.064 0.000 1.861 183 A HA 0.086 4.406 4.320 -0.001 0.000 0.212 183 A C 0.372 177.969 177.584 0.021 0.000 1.199 183 A CA 0.834 52.874 52.037 0.005 0.000 0.613 183 A CB -0.124 18.859 19.000 -0.028 0.000 0.846 183 A HN 0.770 nan 8.150 nan 0.000 0.446 184 Q N -1.318 118.490 119.800 0.014 0.000 2.301 184 Q HA 0.578 4.917 4.340 -0.001 0.000 0.267 184 Q C -1.322 174.797 176.000 0.198 0.000 1.035 184 Q CA -0.779 55.025 55.803 0.002 0.000 0.856 184 Q CB 1.873 30.452 28.738 -0.264 0.000 1.337 184 Q HN 0.648 nan 8.270 nan 0.000 0.450 185 Y N -1.435 118.994 120.300 0.216 0.000 2.609 185 Y HA 0.789 5.339 4.550 -0.001 0.000 0.342 185 Y C -1.324 174.882 175.900 0.510 0.000 1.058 185 Y CA -1.299 57.047 58.100 0.411 0.000 1.055 185 Y CB 1.804 40.435 38.460 0.287 0.000 1.292 185 Y HN 0.575 nan 8.280 nan 0.000 0.476 186 R N 1.369 122.156 120.500 0.479 0.000 2.626 186 R HA 0.675 5.014 4.340 -0.001 0.000 0.274 186 R C -2.345 174.031 176.300 0.127 0.000 1.031 186 R CA -0.894 55.244 56.100 0.064 0.000 0.898 186 R CB 2.440 32.554 30.300 -0.310 0.000 1.222 186 R HN 0.749 nan 8.270 nan 0.000 0.455 187 V N 4.758 124.672 119.914 0.001 0.000 2.320 187 V HA 0.263 4.383 4.120 -0.001 0.000 0.265 187 V C 1.206 177.259 176.094 -0.067 0.000 1.048 187 V CA 0.181 62.516 62.300 0.057 0.000 0.865 187 V CB 0.422 32.313 31.823 0.114 0.000 1.043 187 V HN 1.017 nan 8.190 nan 0.000 0.474 188 A N 6.226 129.033 122.820 -0.021 0.000 1.824 188 A HA 0.033 4.352 4.320 -0.001 0.000 0.215 188 A C 1.172 178.809 177.584 0.088 0.000 1.209 188 A CA 1.185 53.229 52.037 0.012 0.000 0.614 188 A CB 0.015 19.014 19.000 -0.001 0.000 0.852 188 A HN 0.682 nan 8.150 nan 0.000 0.447 189 R N -1.801 118.726 120.500 0.046 0.000 2.686 189 R HA 0.666 5.006 4.340 -0.001 0.000 0.286 189 R C -1.201 175.113 176.300 0.023 0.000 0.969 189 R CA 0.026 56.144 56.100 0.030 0.000 0.898 189 R CB 2.199 32.500 30.300 0.003 0.000 1.183 189 R HN 0.518 nan 8.270 nan 0.000 0.456 190 A N 1.236 124.052 122.820 -0.006 0.000 2.455 190 A HA 0.739 5.058 4.320 -0.001 0.000 0.300 190 A C -1.076 176.467 177.584 -0.068 0.000 1.040 190 A CA -0.639 51.391 52.037 -0.012 0.000 0.697 190 A CB 2.175 21.172 19.000 -0.005 0.000 1.265 190 A HN 0.543 nan 8.150 nan 0.000 0.407 191 T N 2.531 117.048 114.554 -0.062 0.000 3.109 191 T HA 0.481 4.831 4.350 -0.001 0.000 0.311 191 T C -0.771 173.848 174.700 -0.134 0.000 1.011 191 T CA -0.094 61.949 62.100 -0.095 0.000 1.026 191 T CB 0.619 69.450 68.868 -0.062 0.000 1.047 191 T HN 0.507 nan 8.240 nan 0.000 0.448 192 I N 4.056 124.508 120.570 -0.196 0.000 2.460 192 I HA 0.667 4.837 4.170 -0.001 0.000 0.298 192 I C 0.342 176.365 176.117 -0.156 0.000 0.989 192 I CA -0.977 60.142 61.300 -0.301 0.000 1.173 192 I CB 1.654 39.383 38.000 -0.451 0.000 1.338 192 I HN 0.574 nan 8.210 nan 0.000 0.456 193 R N 4.452 124.884 120.500 -0.114 0.000 2.869 193 R HA 0.542 4.881 4.340 -0.001 0.000 0.263 193 R C -1.947 174.396 176.300 0.072 0.000 1.066 193 R CA -0.957 55.139 56.100 -0.007 0.000 0.960 193 R CB 1.955 32.251 30.300 -0.005 0.000 1.221 193 R HN 0.516 nan 8.270 nan 0.000 0.474 194 Y N 0.696 120.983 120.300 -0.021 0.000 2.346 194 Y HA 0.482 5.031 4.550 -0.001 0.000 0.332 194 Y C -1.201 174.710 175.900 0.017 0.000 0.985 194 Y CA -0.863 57.240 58.100 0.005 0.000 1.112 194 Y CB 1.982 40.457 38.460 0.026 0.000 1.170 194 Y HN 0.530 nan 8.280 nan 0.000 0.447 195 R N 7.901 128.083 120.500 -0.529 0.000 2.246 195 R HA 0.361 4.700 4.340 -0.001 0.000 0.332 195 R C -2.798 173.125 176.300 -0.629 0.000 0.974 195 R CA -1.971 53.889 56.100 -0.400 0.000 0.837 195 R CB 1.222 31.400 30.300 -0.204 0.000 1.145 195 R HN 0.464 nan 8.270 nan 0.000 0.467 196 P HA 0.072 nan 4.420 nan 0.000 0.276 196 P C -0.043 177.209 177.300 -0.081 0.000 1.230 196 P CA -0.059 62.920 63.100 -0.200 0.000 0.776 196 P CB 1.124 32.903 31.700 0.132 0.000 0.888 197 L N 2.192 123.397 121.223 -0.030 0.000 2.728 197 L HA 0.172 4.511 4.340 -0.001 0.000 0.238 197 L C 0.704 177.613 176.870 0.066 0.000 1.143 197 L CA -0.281 54.563 54.840 0.007 0.000 0.937 197 L CB 0.455 42.515 42.059 0.002 0.000 1.225 197 L HN 0.107 nan 8.230 nan 0.000 0.507 198 V N 1.935 121.909 119.914 0.100 0.000 2.775 198 V HA 0.175 4.294 4.120 -0.001 0.000 0.299 198 V C -1.610 174.490 176.094 0.010 0.000 1.062 198 V CA -1.073 61.279 62.300 0.088 0.000 1.063 198 V CB 0.683 32.591 31.823 0.141 0.000 0.994 198 V HN 0.124 nan 8.190 nan 0.000 0.483 199 P HA 0.208 nan 4.420 nan 0.000 0.278 199 P C 0.460 177.722 177.300 -0.064 0.000 1.238 199 P CA -0.531 62.523 63.100 -0.076 0.000 0.794 199 P CB 0.612 32.226 31.700 -0.144 0.000 0.955 200 N N 2.170 120.861 118.700 -0.015 0.000 2.242 200 N HA -0.230 4.509 4.740 -0.001 0.000 0.191 200 N C 1.281 176.804 175.510 0.022 0.000 1.005 200 N CA 1.803 54.860 53.050 0.013 0.000 0.877 200 N CB -1.204 37.301 38.487 0.030 0.000 0.983 200 N HN 0.485 nan 8.380 nan 0.000 0.439 201 A N 0.514 123.346 122.820 0.020 0.000 2.239 201 A HA 0.229 4.548 4.320 -0.001 0.000 0.209 201 A C 0.745 178.346 177.584 0.027 0.000 1.171 201 A CA -0.045 52.053 52.037 0.102 0.000 0.768 201 A CB -0.018 19.147 19.000 0.274 0.000 0.790 201 A HN 0.135 nan 8.150 nan 0.000 0.478 202 V N -0.375 119.504 119.914 -0.058 0.000 2.481 202 V HA 0.681 4.800 4.120 -0.001 0.000 0.286 202 V C 0.699 176.853 176.094 0.101 0.000 1.042 202 V CA 0.301 62.576 62.300 -0.042 0.000 0.928 202 V CB 1.175 32.861 31.823 -0.227 0.000 0.986 202 V HN 0.486 nan 8.190 nan 0.000 0.462 203 G N 1.723 110.610 108.800 0.144 0.000 2.749 203 G HA2 0.616 4.575 3.960 -0.001 0.000 0.300 203 G HA3 0.616 4.575 3.960 -0.001 0.000 0.300 203 G C 0.345 175.347 174.900 0.170 0.000 1.352 203 G CA 0.090 45.244 45.100 0.091 0.000 0.789 203 G HN 1.511 nan 8.290 nan 0.000 0.509 204 G N -1.901 106.931 108.800 0.054 0.000 2.141 204 G HA2 0.137 4.096 3.960 -0.001 0.000 0.231 204 G HA3 0.137 4.096 3.960 -0.001 0.000 0.231 204 G C 0.026 175.032 174.900 0.178 0.000 0.984 204 G CA 1.366 46.531 45.100 0.108 0.000 0.660 204 G HN 2.142 nan 8.290 nan 0.000 0.525 205 Y N -2.445 117.885 120.300 0.051 0.000 2.689 205 Y HA 0.873 5.422 4.550 -0.001 0.000 0.333 205 Y C -0.254 175.681 175.900 0.058 0.000 1.190 205 Y CA -1.176 56.960 58.100 0.060 0.000 1.063 205 Y CB 0.813 39.307 38.460 0.058 0.000 1.294 205 Y HN 1.145 nan 8.280 nan 0.000 0.466 206 A N 1.120 124.024 122.820 0.140 0.000 2.587 206 A HA 0.832 5.151 4.320 -0.001 0.000 0.293 206 A C -1.897 175.833 177.584 0.244 0.000 1.087 206 A CA -0.892 51.177 52.037 0.053 0.000 0.692 206 A CB 1.405 20.439 19.000 0.057 0.000 1.291 206 A HN 0.749 nan 8.150 nan 0.000 0.407 207 I N 1.339 121.974 120.570 0.108 0.000 2.545 207 I HA 0.533 4.702 4.170 -0.001 0.000 0.292 207 I C 0.097 176.236 176.117 0.037 0.000 1.040 207 I CA -0.563 60.757 61.300 0.032 0.000 1.068 207 I CB 2.452 40.293 38.000 -0.265 0.000 1.251 207 I HN 0.717 nan 8.210 nan 0.000 0.424 208 S N 6.438 122.212 115.700 0.124 0.000 2.500 208 S HA 0.733 5.203 4.470 -0.001 0.000 0.301 208 S C -0.863 173.804 174.600 0.111 0.000 1.092 208 S CA -0.731 57.552 58.200 0.138 0.000 1.030 208 S CB 1.688 65.058 63.200 0.282 0.000 1.031 208 S HN 0.479 nan 8.310 nan 0.000 0.483 209 I N 3.294 123.912 120.570 0.079 0.000 2.355 209 I HA 0.387 4.557 4.170 -0.001 0.000 0.288 209 I C -0.259 175.920 176.117 0.102 0.000 0.999 209 I CA -0.493 60.864 61.300 0.095 0.000 1.163 209 I CB 1.744 39.774 38.000 0.050 0.000 1.316 209 I HN 0.818 nan 8.210 nan 0.000 0.454 210 S N 5.563 121.369 115.700 0.177 0.000 2.513 210 S HA 0.642 5.111 4.470 -0.001 0.000 0.299 210 S C -0.897 173.753 174.600 0.083 0.000 1.087 210 S CA -0.731 57.535 58.200 0.110 0.000 1.012 210 S CB 2.417 65.802 63.200 0.308 0.000 1.044 210 S HN 0.419 nan 8.310 nan 0.000 0.485 211 F N 2.141 121.849 119.950 -0.404 0.000 2.449 211 F HA 0.702 5.229 4.527 -0.001 0.000 0.342 211 F C -1.966 173.448 175.800 -0.644 0.000 1.127 211 F CA -1.244 56.568 58.000 -0.314 0.000 0.975 211 F CB 0.944 39.842 39.000 -0.171 0.000 1.146 211 F HN 0.696 nan 8.300 nan 0.000 0.444 212 W N 8.477 129.293 121.300 -0.806 0.000 2.393 212 W HA 0.411 5.070 4.660 -0.001 0.000 0.315 212 W C -2.032 173.986 176.519 -0.835 0.000 1.009 212 W CA -1.983 54.990 57.345 -0.620 0.000 1.313 212 W CB 0.842 30.124 29.460 -0.297 0.000 1.269 212 W HN 0.361 nan 8.180 nan 0.000 0.420 213 P HA -0.174 nan 4.420 nan 0.000 0.221 213 P C 0.512 177.814 177.300 0.002 0.000 1.150 213 P CA 1.295 64.253 63.100 -0.236 0.000 0.800 213 P CB 0.610 32.233 31.700 -0.128 0.000 0.787 214 Q N 0.598 120.401 119.800 0.005 0.000 2.678 214 Q HA 0.125 4.464 4.340 -0.001 0.000 0.222 214 Q C 0.773 176.797 176.000 0.040 0.000 1.281 214 Q CA 0.220 56.057 55.803 0.057 0.000 0.994 214 Q CB -0.414 28.355 28.738 0.051 0.000 1.452 214 Q HN 0.142 nan 8.270 nan 0.000 0.570 215 T N -1.013 113.567 114.554 0.043 0.000 2.946 215 T HA -0.109 4.240 4.350 -0.001 0.000 0.271 215 T C 1.485 176.177 174.700 -0.014 0.000 1.104 215 T CA 1.572 63.683 62.100 0.019 0.000 1.114 215 T CB 0.223 69.115 68.868 0.040 0.000 0.867 215 T HN 0.399 nan 8.240 nan 0.000 0.513 216 T N 2.041 116.589 114.554 -0.010 0.000 2.770 216 T HA -0.033 4.317 4.350 -0.001 0.000 0.263 216 T C 1.129 175.808 174.700 -0.035 0.000 1.039 216 T CA 0.959 63.041 62.100 -0.031 0.000 1.142 216 T CB -0.293 68.567 68.868 -0.015 0.000 0.868 216 T HN 0.444 nan 8.240 nan 0.000 0.435 217 T N 3.433 117.967 114.554 -0.033 0.000 2.875 217 T HA 0.282 4.631 4.350 -0.001 0.000 0.307 217 T C -0.031 174.597 174.700 -0.120 0.000 1.013 217 T CA -0.407 61.659 62.100 -0.058 0.000 0.970 217 T CB 0.252 69.100 68.868 -0.033 0.000 0.986 217 T HN 0.064 nan 8.240 nan 0.000 0.536 218 T N 7.213 121.676 114.554 -0.152 0.000 2.765 218 T HA 0.126 4.475 4.350 -0.001 0.000 0.284 218 T C -1.812 172.675 174.700 -0.355 0.000 0.946 218 T CA -0.905 61.040 62.100 -0.257 0.000 1.185 218 T CB -0.223 68.486 68.868 -0.264 0.000 0.887 218 T HN 0.446 nan 8.240 nan 0.000 0.532 219 P HA -0.099 nan 4.420 nan 0.000 0.262 219 P C 0.977 178.018 177.300 -0.432 0.000 1.151 219 P CA 0.319 62.985 63.100 -0.724 0.000 0.757 219 P CB 0.437 31.332 31.700 -1.342 0.000 0.754 220 T N 1.874 116.252 114.554 -0.295 0.000 2.474 220 T HA -0.091 4.259 4.350 -0.001 0.000 0.254 220 T C 1.053 175.660 174.700 -0.155 0.000 1.191 220 T CA 1.775 63.769 62.100 -0.177 0.000 1.231 220 T CB -0.531 68.277 68.868 -0.099 0.000 0.865 220 T HN 0.755 nan 8.240 nan 0.000 0.398 221 S N -0.100 115.536 115.700 -0.108 0.000 2.664 221 S HA 0.568 5.037 4.470 -0.001 0.000 0.304 221 S C -0.190 174.378 174.600 -0.053 0.000 1.099 221 S CA -0.968 57.195 58.200 -0.062 0.000 1.003 221 S CB 2.154 65.346 63.200 -0.014 0.000 1.092 221 S HN 0.102 nan 8.310 nan 0.000 0.525 222 V N 1.692 121.602 119.914 -0.006 0.000 2.991 222 V HA 0.202 4.322 4.120 -0.001 0.000 0.355 222 V C 0.258 176.447 176.094 0.160 0.000 1.384 222 V CA -0.443 61.891 62.300 0.056 0.000 1.171 222 V CB -0.989 30.841 31.823 0.012 0.000 1.190 222 V HN 0.990 nan 8.190 nan 0.000 0.540 223 D N -0.547 119.926 120.400 0.121 0.000 2.358 223 D HA 0.069 4.709 4.640 -0.001 0.000 0.244 223 D C 1.356 177.718 176.300 0.102 0.000 1.163 223 D CA -0.501 53.590 54.000 0.151 0.000 0.945 223 D CB 1.818 42.669 40.800 0.084 0.000 1.152 223 D HN 0.115 nan 8.370 nan 0.000 0.451 224 M N 1.084 120.690 119.600 0.010 0.000 2.399 224 M HA -0.277 4.202 4.480 -0.001 0.000 0.263 224 M C 1.676 177.904 176.300 -0.120 0.000 1.067 224 M CA 1.807 56.943 55.300 -0.274 0.000 1.084 224 M CB -0.367 32.077 32.600 -0.260 0.000 1.252 224 M HN 0.347 nan 8.290 nan 0.000 0.454 225 N N 0.369 119.037 118.700 -0.053 0.000 2.132 225 N HA -0.177 4.562 4.740 -0.001 0.000 0.191 225 N C 1.751 177.263 175.510 0.003 0.000 1.015 225 N CA 2.072 55.108 53.050 -0.024 0.000 0.864 225 N CB -0.552 37.930 38.487 -0.008 0.000 1.006 225 N HN 0.632 nan 8.380 nan 0.000 0.430 226 S N 0.279 115.996 115.700 0.028 0.000 2.406 226 S HA 0.072 4.542 4.470 -0.001 0.000 0.228 226 S C 2.070 176.734 174.600 0.106 0.000 1.020 226 S CA 0.320 58.557 58.200 0.063 0.000 0.965 226 S CB -0.298 62.943 63.200 0.068 0.000 0.798 226 S HN 0.250 nan 8.310 nan 0.000 0.488 227 I N 1.945 122.574 120.570 0.097 0.000 2.400 227 I HA -0.097 4.073 4.170 -0.001 0.000 0.248 227 I C 2.492 178.631 176.117 0.036 0.000 1.109 227 I CA 1.210 62.593 61.300 0.138 0.000 1.425 227 I CB -1.084 37.007 38.000 0.151 0.000 1.094 227 I HN 0.278 nan 8.210 nan 0.000 0.425 228 T N -0.352 114.190 114.554 -0.020 0.000 2.721 228 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 228 T C 1.573 176.257 174.700 -0.027 0.000 1.038 228 T CA 1.492 63.568 62.100 -0.041 0.000 1.145 228 T CB -0.233 68.602 68.868 -0.054 0.000 0.858 228 T HN 0.123 nan 8.240 nan 0.000 0.459 229 S N 1.277 116.971 115.700 -0.009 0.000 2.519 229 S HA 0.308 4.778 4.470 -0.001 0.000 0.245 229 S C -0.135 174.456 174.600 -0.015 0.000 1.152 229 S CA -0.501 57.692 58.200 -0.012 0.000 1.175 229 S CB -0.212 62.986 63.200 -0.002 0.000 0.829 229 S HN 0.403 nan 8.310 nan 0.000 0.472 230 T N 1.709 116.235 114.554 -0.047 0.000 2.907 230 T HA 0.331 4.680 4.350 -0.001 0.000 0.290 230 T C -0.899 173.707 174.700 -0.157 0.000 1.066 230 T CA -1.002 61.033 62.100 -0.110 0.000 1.012 230 T CB 1.228 69.967 68.868 -0.214 0.000 1.184 230 T HN 0.412 nan 8.240 nan 0.000 0.522 231 D N 0.581 120.864 120.400 -0.194 0.000 2.345 231 D HA 0.242 4.881 4.640 -0.001 0.000 0.247 231 D C 0.070 176.247 176.300 -0.205 0.000 1.108 231 D CA -0.440 53.462 54.000 -0.163 0.000 0.894 231 D CB 0.738 41.457 40.800 -0.135 0.000 1.203 231 D HN 0.483 nan 8.370 nan 0.000 0.430 232 V N 0.696 120.533 119.914 -0.129 0.000 5.999 232 V HA -0.249 3.870 4.120 -0.001 0.000 0.275 232 V C -0.066 175.957 176.094 -0.118 0.000 0.606 232 V CA 0.799 63.039 62.300 -0.100 0.000 0.836 232 V CB -2.106 29.707 31.823 -0.017 0.000 0.869 232 V HN 1.108 nan 8.190 nan 0.000 0.497 233 R N 2.056 122.499 120.500 -0.094 0.000 2.710 233 R HA 0.881 5.221 4.340 -0.001 0.000 0.270 233 R C -1.551 174.724 176.300 -0.041 0.000 1.021 233 R CA -1.224 54.836 56.100 -0.067 0.000 0.889 233 R CB 2.241 32.494 30.300 -0.079 0.000 1.243 233 R HN 0.427 nan 8.270 nan 0.000 0.464 234 I N 1.995 122.553 120.570 -0.019 0.000 2.644 234 I HA 0.402 4.572 4.170 -0.001 0.000 0.291 234 I C -1.151 174.960 176.117 -0.010 0.000 1.180 234 I CA -1.013 60.276 61.300 -0.018 0.000 1.040 234 I CB 2.336 40.326 38.000 -0.017 0.000 1.255 234 I HN 0.498 nan 8.210 nan 0.000 0.422 235 L N 7.328 128.539 121.223 -0.019 0.000 2.334 235 L HA 0.762 5.101 4.340 -0.001 0.000 0.273 235 L C -1.054 175.801 176.870 -0.026 0.000 1.013 235 L CA -0.755 54.072 54.840 -0.022 0.000 0.816 235 L CB 2.043 44.080 42.059 -0.037 0.000 1.278 235 L HN 0.362 nan 8.230 nan 0.000 0.431 236 V N 0.581 120.474 119.914 -0.035 0.000 3.007 236 V HA 0.511 4.630 4.120 -0.001 0.000 0.311 236 V C -0.570 175.485 176.094 -0.065 0.000 1.120 236 V CA -1.024 61.253 62.300 -0.038 0.000 0.980 236 V CB 1.604 33.411 31.823 -0.026 0.000 1.033 236 V HN 0.805 nan 8.190 nan 0.000 0.429 237 Q N 1.686 121.444 119.800 -0.070 0.000 2.189 237 Q HA 0.373 4.712 4.340 -0.001 0.000 0.193 237 Q C -1.786 174.096 176.000 -0.196 0.000 1.034 237 Q CA -1.490 54.237 55.803 -0.127 0.000 1.062 237 Q CB 0.001 28.687 28.738 -0.087 0.000 1.118 237 Q HN 0.474 nan 8.270 nan 0.000 0.569 238 P HA -0.252 nan 4.420 nan 0.000 0.219 238 P C 0.663 177.927 177.300 -0.060 0.000 1.159 238 P CA 2.124 65.004 63.100 -0.368 0.000 0.944 238 P CB -0.056 31.508 31.700 -0.228 0.000 0.792 239 G N -3.070 105.730 108.800 0.001 0.000 3.441 239 G HA2 0.198 4.157 3.960 -0.001 0.000 0.263 239 G HA3 0.198 4.157 3.960 -0.001 0.000 0.263 239 G C 0.330 175.279 174.900 0.083 0.000 1.014 239 G CA -0.125 45.021 45.100 0.077 0.000 0.833 239 G HN 0.077 nan 8.290 nan 0.000 0.514 240 I N 1.820 122.427 120.570 0.062 0.000 2.779 240 I HA 0.403 4.572 4.170 -0.001 0.000 0.285 240 I C 0.608 176.795 176.117 0.116 0.000 1.134 240 I CA -0.399 60.937 61.300 0.061 0.000 1.398 240 I CB 1.217 39.235 38.000 0.030 0.000 1.404 240 I HN 0.093 nan 8.210 nan 0.000 0.587 241 A N 4.958 127.833 122.820 0.092 0.000 2.317 241 A HA 0.710 5.030 4.320 -0.001 0.000 0.327 241 A C -0.145 177.492 177.584 0.089 0.000 1.178 241 A CA -0.352 51.755 52.037 0.115 0.000 0.817 241 A CB 1.024 20.059 19.000 0.059 0.000 1.189 241 A HN 0.794 nan 8.150 nan 0.000 0.489 242 S N 1.485 117.254 115.700 0.115 0.000 2.627 242 S HA 0.801 5.270 4.470 -0.001 0.000 0.283 242 S C -0.976 173.656 174.600 0.053 0.000 1.127 242 S CA -0.826 57.413 58.200 0.065 0.000 0.863 242 S CB 1.620 64.850 63.200 0.051 0.000 1.121 242 S HN 0.680 nan 8.310 nan 0.000 0.479 243 E N -0.003 120.207 120.200 0.017 0.000 2.248 243 E HA 0.571 4.920 4.350 -0.001 0.000 0.267 243 E C -1.843 174.742 176.600 -0.025 0.000 0.877 243 E CA -0.808 55.588 56.400 -0.007 0.000 0.759 243 E CB 2.228 31.918 29.700 -0.016 0.000 1.182 243 E HN 0.437 nan 8.360 nan 0.000 0.418 244 L N 3.539 124.734 121.223 -0.047 0.000 2.388 244 L HA 0.336 4.676 4.340 -0.001 0.000 0.267 244 L C -1.474 175.339 176.870 -0.095 0.000 0.995 244 L CA -0.753 54.049 54.840 -0.063 0.000 0.864 244 L CB 1.415 43.441 42.059 -0.056 0.000 1.216 244 L HN 0.323 nan 8.230 nan 0.000 0.430 245 V N 6.190 126.050 119.914 -0.090 0.000 2.488 245 V HA 0.291 4.410 4.120 -0.001 0.000 0.277 245 V C 0.693 176.699 176.094 -0.148 0.000 1.046 245 V CA -0.272 61.965 62.300 -0.107 0.000 0.986 245 V CB 1.172 32.946 31.823 -0.081 0.000 0.989 245 V HN 0.555 nan 8.190 nan 0.000 0.475 246 I N 8.100 128.549 120.570 -0.203 0.000 2.322 246 I HA 0.222 4.392 4.170 -0.001 0.000 0.292 246 I C -1.740 174.256 176.117 -0.202 0.000 1.060 246 I CA -1.686 59.429 61.300 -0.309 0.000 1.309 246 I CB 1.259 38.942 38.000 -0.529 0.000 1.415 246 I HN 0.455 nan 8.210 nan 0.000 0.492 247 P HA -0.046 nan 4.420 nan 0.000 0.261 247 P C 0.850 178.109 177.300 -0.069 0.000 1.183 247 P CA 0.128 63.168 63.100 -0.099 0.000 0.761 247 P CB 0.709 32.360 31.700 -0.081 0.000 0.785 248 S N 2.879 118.537 115.700 -0.070 0.000 2.402 248 S HA -0.273 4.196 4.470 -0.001 0.000 0.233 248 S C 1.748 176.327 174.600 -0.036 0.000 1.030 248 S CA 1.498 59.655 58.200 -0.073 0.000 1.003 248 S CB -0.944 62.087 63.200 -0.281 0.000 0.813 248 S HN 0.656 nan 8.310 nan 0.000 0.477 249 E N 1.837 122.008 120.200 -0.048 0.000 2.219 249 E HA -0.222 4.127 4.350 -0.001 0.000 0.198 249 E C 2.098 178.786 176.600 0.147 0.000 0.998 249 E CA 1.248 57.657 56.400 0.015 0.000 0.818 249 E CB -0.154 29.542 29.700 -0.008 0.000 0.741 249 E HN 0.651 nan 8.360 nan 0.000 0.477 250 R N -0.211 120.376 120.500 0.145 0.000 2.189 250 R HA 0.161 4.501 4.340 -0.001 0.000 0.203 250 R C 2.408 178.974 176.300 0.443 0.000 1.012 250 R CA 0.533 56.782 56.100 0.248 0.000 1.015 250 R CB 0.012 30.413 30.300 0.168 0.000 0.938 250 R HN 0.247 nan 8.270 nan 0.000 0.472 251 L N -0.027 121.388 121.223 0.320 0.000 2.217 251 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 251 L C 1.243 178.232 176.870 0.199 0.000 1.107 251 L CA 1.196 56.201 54.840 0.275 0.000 0.783 251 L CB -0.157 42.022 42.059 0.199 0.000 0.919 251 L HN 0.238 nan 8.230 nan 0.000 0.442 252 H N -2.770 116.345 119.070 0.076 0.000 2.705 252 H HA 0.001 4.556 4.556 -0.001 0.000 0.269 252 H C 1.586 176.905 175.328 -0.016 0.000 0.998 252 H CA -0.310 55.725 56.048 -0.022 0.000 1.193 252 H CB -0.338 29.389 29.762 -0.059 0.000 1.485 252 H HN 0.349 nan 8.280 nan 0.000 0.521 253 Y N 0.831 121.205 120.300 0.123 0.000 2.446 253 Y HA -0.108 4.441 4.550 -0.001 0.000 0.287 253 Y C 0.798 176.735 175.900 0.062 0.000 1.159 253 Y CA 0.579 58.725 58.100 0.077 0.000 1.297 253 Y CB -0.042 38.461 38.460 0.072 0.000 0.974 253 Y HN -0.042 nan 8.280 nan 0.000 0.557 254 R N 1.897 121.975 120.500 -0.703 0.000 2.337 254 R HA 0.177 4.516 4.340 -0.001 0.000 0.319 254 R C -0.445 175.702 176.300 -0.255 0.000 0.954 254 R CA -0.408 55.336 56.100 -0.594 0.000 0.840 254 R CB 0.125 29.887 30.300 -0.897 0.000 1.164 254 R HN 0.407 nan 8.270 nan 0.000 0.472 255 N N 3.966 122.592 118.700 -0.124 0.000 2.721 255 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 255 N C -0.912 174.590 175.510 -0.013 0.000 1.072 255 N CA 1.505 54.539 53.050 -0.027 0.000 0.710 255 N CB -0.916 37.571 38.487 0.001 0.000 0.993 255 N HN 0.892 nan 8.380 nan 0.000 0.547 256 Q N -2.299 117.470 119.800 -0.051 0.000 2.451 256 Q HA -0.252 4.088 4.340 -0.001 0.000 0.305 256 Q C 1.061 176.892 176.000 -0.282 0.000 1.345 256 Q CA 0.983 56.737 55.803 -0.082 0.000 0.854 256 Q CB -2.008 26.691 28.738 -0.066 0.000 1.162 256 Q HN 0.816 nan 8.270 nan 0.000 0.440 257 G N -1.532 107.101 108.800 -0.279 0.000 2.196 257 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.268 257 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.268 257 G C -0.291 174.390 174.900 -0.366 0.000 0.975 257 G CA 0.325 45.169 45.100 -0.427 0.000 0.648 257 G HN 0.449 nan 8.290 nan 0.000 0.538 258 W N 1.544 122.717 121.300 -0.212 0.000 2.335 258 W HA 0.713 5.372 4.660 -0.001 0.000 0.306 258 W C 0.497 176.856 176.519 -0.266 0.000 1.216 258 W CA -0.496 56.716 57.345 -0.221 0.000 1.237 258 W CB 0.761 30.139 29.460 -0.136 0.000 1.243 258 W HN 0.052 nan 8.180 nan 0.000 0.493 259 R N 2.024 122.454 120.500 -0.118 0.000 2.837 259 R HA 0.348 4.688 4.340 -0.001 0.000 0.271 259 R C -0.401 175.738 176.300 -0.269 0.000 0.993 259 R CA -1.083 54.864 56.100 -0.256 0.000 0.931 259 R CB 1.464 31.526 30.300 -0.398 0.000 1.206 259 R HN 0.323 nan 8.270 nan 0.000 0.474 260 S N 0.016 115.673 115.700 -0.072 0.000 2.545 260 S HA 0.188 4.658 4.470 -0.001 0.000 0.275 260 S C 1.307 176.044 174.600 0.229 0.000 1.299 260 S CA -0.653 57.570 58.200 0.038 0.000 1.048 260 S CB 0.789 63.997 63.200 0.013 0.000 0.938 260 S HN 0.316 nan 8.310 nan 0.000 0.496 261 V N 3.306 123.374 119.914 0.256 0.000 2.216 261 V HA -0.047 4.073 4.120 -0.001 0.000 0.242 261 V C 1.298 177.416 176.094 0.040 0.000 1.042 261 V CA 1.749 64.163 62.300 0.191 0.000 0.991 261 V CB -1.293 30.537 31.823 0.012 0.000 0.633 261 V HN 0.960 nan 8.190 nan 0.000 0.449 262 E N 0.390 120.582 120.200 -0.015 0.000 2.760 262 E HA -0.136 4.214 4.350 -0.001 0.000 0.268 262 E C 0.811 177.370 176.600 -0.068 0.000 0.935 262 E CA 1.169 57.534 56.400 -0.058 0.000 0.960 262 E CB 0.698 30.366 29.700 -0.052 0.000 0.931 262 E HN 0.437 nan 8.360 nan 0.000 0.483 263 T N 2.046 116.517 114.554 -0.139 0.000 3.044 263 T HA 0.029 4.378 4.350 -0.001 0.000 0.237 263 T C 0.440 175.045 174.700 -0.159 0.000 1.001 263 T CA 0.538 62.503 62.100 -0.224 0.000 1.160 263 T CB 0.102 68.670 68.868 -0.500 0.000 0.889 263 T HN 0.417 nan 8.240 nan 0.000 0.442 264 S N 0.817 116.434 115.700 -0.137 0.000 2.465 264 S HA 0.425 4.894 4.470 -0.001 0.000 0.307 264 S C 1.042 175.606 174.600 -0.061 0.000 1.187 264 S CA 0.610 58.760 58.200 -0.083 0.000 1.141 264 S CB -0.601 62.554 63.200 -0.075 0.000 1.108 264 S HN 0.692 nan 8.310 nan 0.000 0.525 265 G N 3.350 112.124 108.800 -0.043 0.000 3.617 265 G HA2 0.030 3.990 3.960 -0.001 0.000 0.217 265 G HA3 0.030 3.990 3.960 -0.001 0.000 0.217 265 G C -0.370 174.515 174.900 -0.025 0.000 0.967 265 G CA 0.189 45.267 45.100 -0.038 0.000 0.878 265 G HN 0.906 nan 8.290 nan 0.000 0.439 266 V N 0.364 120.272 119.914 -0.010 0.000 3.206 266 V HA 0.851 4.970 4.120 -0.001 0.000 0.305 266 V C 0.518 176.626 176.094 0.023 0.000 1.257 266 V CA -0.805 61.495 62.300 -0.000 0.000 1.057 266 V CB 1.219 33.042 31.823 -0.001 0.000 1.075 266 V HN 1.284 nan 8.190 nan 0.000 0.443 267 A N 0.038 122.864 122.820 0.010 0.000 2.561 267 A HA 0.181 4.500 4.320 -0.001 0.000 0.234 267 A C 1.180 178.791 177.584 0.045 0.000 1.055 267 A CA 0.428 52.468 52.037 0.005 0.000 0.756 267 A CB -0.316 18.678 19.000 -0.010 0.000 0.986 267 A HN 0.995 nan 8.150 nan 0.000 0.505 268 E N 1.113 121.330 120.200 0.029 0.000 2.271 268 E HA -0.295 4.054 4.350 -0.001 0.000 0.209 268 E C 1.558 178.220 176.600 0.103 0.000 1.046 268 E CA 2.235 58.682 56.400 0.078 0.000 0.840 268 E CB -0.082 29.578 29.700 -0.065 0.000 0.738 268 E HN 0.882 nan 8.360 nan 0.000 0.470 269 E N 0.341 120.579 120.200 0.063 0.000 2.072 269 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 269 E C 1.882 178.516 176.600 0.057 0.000 0.985 269 E CA 0.714 57.156 56.400 0.069 0.000 0.801 269 E CB -0.019 29.711 29.700 0.049 0.000 0.750 269 E HN 0.201 nan 8.360 nan 0.000 0.452 270 E N 0.115 120.342 120.200 0.045 0.000 2.358 270 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 270 E C 1.458 178.089 176.600 0.053 0.000 1.010 270 E CA 0.637 57.052 56.400 0.025 0.000 0.856 270 E CB 0.313 30.020 29.700 0.012 0.000 0.795 270 E HN 0.256 nan 8.360 nan 0.000 0.504 271 A N 0.220 123.110 122.820 0.116 0.000 2.229 271 A HA 0.163 4.483 4.320 -0.001 0.000 0.211 271 A C 1.241 179.009 177.584 0.308 0.000 1.193 271 A CA 0.235 52.383 52.037 0.185 0.000 0.879 271 A CB 0.374 19.449 19.000 0.126 0.000 0.911 271 A HN 0.092 nan 8.150 nan 0.000 0.492 272 T N -0.432 114.280 114.554 0.264 0.000 2.889 272 T HA 0.484 4.833 4.350 -0.001 0.000 0.278 272 T C 0.713 175.571 174.700 0.265 0.000 0.995 272 T CA 0.208 62.498 62.100 0.315 0.000 0.966 272 T CB 1.416 70.446 68.868 0.269 0.000 1.237 272 T HN 0.388 nan 8.240 nan 0.000 0.591 273 S N -1.618 114.268 115.700 0.310 0.000 3.101 273 S HA 0.598 5.067 4.470 -0.001 0.000 0.252 273 S C 0.353 175.208 174.600 0.425 0.000 0.920 273 S CA -0.043 58.339 58.200 0.302 0.000 1.158 273 S CB 0.110 63.489 63.200 0.299 0.000 1.125 273 S HN 1.553 nan 8.310 nan 0.000 0.608 274 G N 0.995 109.991 108.800 0.327 0.000 2.406 274 G HA2 0.294 4.253 3.960 -0.001 0.000 0.680 274 G HA3 0.294 4.253 3.960 -0.001 0.000 0.680 274 G C -1.602 173.397 174.900 0.165 0.000 1.338 274 G CA -0.597 44.610 45.100 0.178 0.000 0.941 274 G HN 0.970 nan 8.290 nan 0.000 0.633 275 L N 0.552 121.742 121.223 -0.054 0.000 2.317 275 L HA 0.876 5.216 4.340 -0.001 0.000 0.281 275 L C -0.130 176.872 176.870 0.219 0.000 1.024 275 L CA -0.814 54.096 54.840 0.116 0.000 0.810 275 L CB 2.003 44.113 42.059 0.085 0.000 1.240 275 L HN 0.758 nan 8.230 nan 0.000 0.427 276 V N 6.012 126.134 119.914 0.346 0.000 2.667 276 V HA 0.699 4.818 4.120 -0.001 0.000 0.308 276 V C -0.066 176.234 176.094 0.343 0.000 1.048 276 V CA -0.537 62.005 62.300 0.404 0.000 0.928 276 V CB 1.605 33.681 31.823 0.421 0.000 1.004 276 V HN 0.936 nan 8.190 nan 0.000 0.444 277 M N 4.097 123.899 119.600 0.336 0.000 2.325 277 M HA 0.667 5.147 4.480 -0.001 0.000 0.285 277 M C -2.226 174.224 176.300 0.250 0.000 1.119 277 M CA -0.590 54.877 55.300 0.277 0.000 0.959 277 M CB 1.971 34.684 32.600 0.188 0.000 1.737 277 M HN 0.415 nan 8.290 nan 0.000 0.486 278 L N 4.281 125.649 121.223 0.242 0.000 2.282 278 L HA 0.900 5.239 4.340 -0.001 0.000 0.288 278 L C -1.191 175.751 176.870 0.120 0.000 1.033 278 L CA 0.085 55.032 54.840 0.179 0.000 0.807 278 L CB 1.301 43.486 42.059 0.210 0.000 1.209 278 L HN 1.045 nan 8.230 nan 0.000 0.423 279 C N 4.287 123.619 119.300 0.053 0.000 2.985 279 C HA 0.677 5.137 4.460 -0.001 0.000 0.314 279 C C -0.001 174.848 174.990 -0.235 0.000 1.215 279 C CA -1.553 57.423 59.018 -0.070 0.000 1.414 279 C CB 0.434 28.125 27.740 -0.082 0.000 1.842 279 C HN 0.836 nan 8.230 nan 0.000 0.477 280 I N -0.496 119.906 120.570 -0.279 0.000 2.664 280 I HA 0.593 4.762 4.170 -0.001 0.000 0.308 280 I C -0.409 175.384 176.117 -0.540 0.000 0.984 280 I CA -0.155 61.003 61.300 -0.237 0.000 1.213 280 I CB 0.784 38.741 38.000 -0.071 0.000 1.379 280 I HN 0.644 nan 8.210 nan 0.000 0.501 281 H N 3.091 122.235 119.070 0.125 0.000 2.854 281 H HA 0.576 5.131 4.556 -0.001 0.000 0.275 281 H C -0.086 175.315 175.328 0.123 0.000 1.198 281 H CA -0.395 55.711 56.048 0.096 0.000 1.489 281 H CB 1.222 31.024 29.762 0.067 0.000 1.519 281 H HN 1.138 nan 8.280 nan 0.000 0.503 282 G N 1.435 110.333 108.800 0.164 0.000 2.697 282 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.684 282 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.684 282 G C -0.457 174.534 174.900 0.152 0.000 1.274 282 G CA -0.684 44.513 45.100 0.161 0.000 0.806 282 G HN 0.537 nan 8.290 nan 0.000 0.644 283 S N 2.118 117.888 115.700 0.117 0.000 2.505 283 S HA 0.614 5.083 4.470 -0.001 0.000 0.276 283 S C -1.702 172.975 174.600 0.128 0.000 1.274 283 S CA -0.870 57.383 58.200 0.089 0.000 1.053 283 S CB 1.537 64.779 63.200 0.070 0.000 0.919 283 S HN 0.768 nan 8.310 nan 0.000 0.490 284 P HA 0.137 nan 4.420 nan 0.000 0.269 284 P C -0.693 176.701 177.300 0.157 0.000 1.263 284 P CA -0.191 62.966 63.100 0.094 0.000 0.813 284 P CB 0.397 32.019 31.700 -0.129 0.000 0.868 285 V N 4.547 124.570 119.914 0.182 0.000 2.481 285 V HA 0.225 4.345 4.120 -0.001 0.000 0.286 285 V C 0.815 176.971 176.094 0.102 0.000 1.042 285 V CA -0.439 61.943 62.300 0.135 0.000 0.928 285 V CB 1.297 33.190 31.823 0.116 0.000 0.986 285 V HN 0.517 nan 8.190 nan 0.000 0.462 286 N N 2.466 121.220 118.700 0.089 0.000 2.609 286 N HA 0.112 4.851 4.740 -0.001 0.000 0.234 286 N C 1.127 176.715 175.510 0.131 0.000 1.001 286 N CA 0.063 53.136 53.050 0.038 0.000 0.926 286 N CB 1.233 39.733 38.487 0.021 0.000 1.130 286 N HN 0.623 nan 8.380 nan 0.000 0.510 287 S N 2.250 118.057 115.700 0.179 0.000 2.559 287 S HA -0.181 4.289 4.470 -0.001 0.000 0.250 287 S C 1.098 175.862 174.600 0.273 0.000 0.977 287 S CA 0.687 59.010 58.200 0.205 0.000 0.958 287 S CB -0.803 62.493 63.200 0.160 0.000 0.751 287 S HN 0.695 nan 8.310 nan 0.000 0.534 288 Y N 1.988 122.294 120.300 0.010 0.000 2.448 288 Y HA 0.041 4.590 4.550 -0.001 0.000 0.289 288 Y C 2.176 178.089 175.900 0.020 0.000 1.114 288 Y CA 0.664 58.771 58.100 0.013 0.000 1.235 288 Y CB 0.212 38.679 38.460 0.012 0.000 1.045 288 Y HN 0.471 nan 8.280 nan 0.000 0.554 289 T N -4.203 110.471 114.554 0.201 0.000 3.144 289 T HA 0.131 4.481 4.350 -0.001 0.000 0.290 289 T C 0.171 174.927 174.700 0.093 0.000 0.966 289 T CA -0.403 61.770 62.100 0.122 0.000 0.907 289 T CB -0.523 68.411 68.868 0.109 0.000 1.152 289 T HN 0.250 nan 8.240 nan 0.000 0.532 290 N N 2.352 121.112 118.700 0.099 0.000 2.686 290 N HA -0.172 4.567 4.740 -0.001 0.000 0.249 290 N C -0.392 175.162 175.510 0.074 0.000 1.082 290 N CA 0.996 54.093 53.050 0.079 0.000 0.725 290 N CB -0.644 37.878 38.487 0.059 0.000 1.009 290 N HN 0.804 nan 8.380 nan 0.000 0.545 291 T N -2.075 112.530 114.554 0.084 0.000 2.885 291 T HA 0.544 4.893 4.350 -0.001 0.000 0.285 291 T C -2.585 172.170 174.700 0.093 0.000 1.019 291 T CA -1.758 60.388 62.100 0.077 0.000 1.010 291 T CB 2.594 71.504 68.868 0.072 0.000 1.022 291 T HN -0.139 nan 8.240 nan 0.000 0.466 292 P HA 0.008 nan 4.420 nan 0.000 0.266 292 P C -1.240 176.143 177.300 0.138 0.000 1.193 292 P CA -0.185 62.972 63.100 0.094 0.000 0.770 292 P CB 0.233 31.966 31.700 0.055 0.000 0.836 293 Y N 1.752 122.047 120.300 -0.009 0.000 2.367 293 Y HA 0.194 4.744 4.550 -0.001 0.000 0.342 293 Y C 1.293 177.171 175.900 -0.036 0.000 0.979 293 Y CA 0.115 58.200 58.100 -0.025 0.000 1.161 293 Y CB 0.623 39.063 38.460 -0.033 0.000 1.155 293 Y HN 0.289 nan 8.280 nan 0.000 0.503 294 T N 3.881 118.190 114.554 -0.408 0.000 2.781 294 T HA 0.089 4.438 4.350 -0.001 0.000 0.252 294 T C 1.096 175.380 174.700 -0.693 0.000 1.039 294 T CA 0.861 62.715 62.100 -0.410 0.000 1.147 294 T CB -0.744 67.992 68.868 -0.220 0.000 0.865 294 T HN 0.907 nan 8.240 nan 0.000 0.423 295 G N 1.471 109.685 108.800 -0.977 0.000 3.168 295 G HA2 0.271 4.230 3.960 -0.001 0.000 0.238 295 G HA3 0.271 4.230 3.960 -0.001 0.000 0.238 295 G C 0.235 174.790 174.900 -0.574 0.000 1.256 295 G CA -0.131 44.511 45.100 -0.764 0.000 0.872 295 G HN 0.681 nan 8.290 nan 0.000 0.609 296 A N -0.142 122.577 122.820 -0.168 0.000 2.483 296 A HA 0.433 4.752 4.320 -0.001 0.000 0.238 296 A C 1.160 178.807 177.584 0.105 0.000 1.070 296 A CA 0.067 52.084 52.037 -0.033 0.000 0.770 296 A CB 0.383 19.384 19.000 0.003 0.000 1.008 296 A HN 0.638 nan 8.150 nan 0.000 0.497 297 L N 1.404 122.691 121.223 0.107 0.000 2.362 297 L HA 0.482 4.822 4.340 -0.001 0.000 0.204 297 L C 1.304 178.284 176.870 0.183 0.000 1.060 297 L CA 1.526 56.487 54.840 0.201 0.000 0.827 297 L CB -0.560 41.594 42.059 0.159 0.000 1.027 297 L HN 1.011 nan 8.230 nan 0.000 0.474 298 G N -1.378 107.471 108.800 0.081 0.000 2.340 298 G HA2 0.506 4.465 3.960 -0.001 0.000 0.299 298 G HA3 0.506 4.465 3.960 -0.001 0.000 0.299 298 G C -1.974 172.822 174.900 -0.173 0.000 1.291 298 G CA -0.747 44.233 45.100 -0.200 0.000 0.841 298 G HN -0.103 nan 8.290 nan 0.000 0.500 299 L N -0.497 120.528 121.223 -0.329 0.000 2.301 299 L HA 0.680 5.019 4.340 -0.001 0.000 0.264 299 L C -0.538 176.279 176.870 -0.087 0.000 1.016 299 L CA -1.001 53.747 54.840 -0.153 0.000 0.821 299 L CB 2.330 44.316 42.059 -0.123 0.000 1.346 299 L HN 0.336 nan 8.230 nan 0.000 0.429 300 L N 1.790 123.011 121.223 -0.003 0.000 2.301 300 L HA 0.338 4.678 4.340 -0.001 0.000 0.278 300 L C -0.814 176.162 176.870 0.178 0.000 1.022 300 L CA -0.244 54.651 54.840 0.090 0.000 0.854 300 L CB 1.117 43.249 42.059 0.122 0.000 1.226 300 L HN 0.591 nan 8.230 nan 0.000 0.429 301 D N 3.466 123.916 120.400 0.082 0.000 2.277 301 D HA 0.238 4.878 4.640 -0.001 0.000 0.249 301 D C -1.075 175.289 176.300 0.107 0.000 1.134 301 D CA -0.044 54.027 54.000 0.119 0.000 0.863 301 D CB 1.143 41.961 40.800 0.031 0.000 1.143 301 D HN 0.103 nan 8.370 nan 0.000 0.458 302 F N 1.195 121.141 119.950 -0.006 0.000 2.444 302 F HA 0.425 4.952 4.527 -0.001 0.000 0.342 302 F C 0.575 176.385 175.800 0.016 0.000 1.121 302 F CA -0.956 57.051 58.000 0.012 0.000 0.997 302 F CB 1.963 40.968 39.000 0.009 0.000 1.130 302 F HN 0.260 nan 8.300 nan 0.000 0.454 303 A N 6.363 129.263 122.820 0.134 0.000 2.511 303 A HA 0.734 5.053 4.320 -0.001 0.000 0.340 303 A C -1.053 176.592 177.584 0.102 0.000 1.396 303 A CA -0.462 51.629 52.037 0.090 0.000 0.887 303 A CB -0.266 18.750 19.000 0.027 0.000 1.145 303 A HN 0.728 nan 8.150 nan 0.000 0.497 304 L N 1.270 122.586 121.223 0.155 0.000 2.333 304 L HA 0.534 4.874 4.340 -0.001 0.000 0.280 304 L C 0.117 177.069 176.870 0.136 0.000 1.004 304 L CA -0.428 54.510 54.840 0.163 0.000 0.820 304 L CB 2.010 44.206 42.059 0.228 0.000 1.247 304 L HN 0.624 nan 8.230 nan 0.000 0.416 305 E N 3.999 124.244 120.200 0.075 0.000 2.109 305 E HA 0.595 4.944 4.350 -0.001 0.000 0.278 305 E C -1.309 175.312 176.600 0.036 0.000 0.954 305 E CA -0.455 55.950 56.400 0.008 0.000 0.779 305 E CB 1.319 31.008 29.700 -0.017 0.000 1.093 305 E HN 0.476 nan 8.360 nan 0.000 0.401 306 L N 2.937 124.156 121.223 -0.007 0.000 2.323 306 L HA 0.533 4.872 4.340 -0.001 0.000 0.265 306 L C -0.319 176.457 176.870 -0.157 0.000 1.012 306 L CA -0.878 53.969 54.840 0.012 0.000 0.820 306 L CB 2.038 44.165 42.059 0.114 0.000 1.334 306 L HN 0.458 nan 8.230 nan 0.000 0.427 307 E N 1.873 122.084 120.200 0.019 0.000 2.218 307 E HA 0.434 4.784 4.350 -0.001 0.000 0.263 307 E C -1.544 175.279 176.600 0.372 0.000 0.879 307 E CA -0.313 56.117 56.400 0.051 0.000 0.762 307 E CB 2.267 32.052 29.700 0.142 0.000 1.166 307 E HN 0.334 nan 8.360 nan 0.000 0.415 308 F N 2.712 122.677 119.950 0.024 0.000 2.420 308 F HA 0.389 4.916 4.527 -0.001 0.000 0.342 308 F C 1.538 177.276 175.800 -0.103 0.000 1.113 308 F CA -1.095 56.843 58.000 -0.103 0.000 1.059 308 F CB 1.253 39.930 39.000 -0.538 0.000 1.128 308 F HN 0.284 nan 8.300 nan 0.000 0.475 309 R N 1.483 122.103 120.500 0.200 0.000 1.616 309 R HA 0.127 4.467 4.340 -0.001 0.000 0.123 309 R C -0.021 176.381 176.300 0.170 0.000 1.531 309 R CA -0.036 56.110 56.100 0.077 0.000 1.791 309 R CB -0.540 29.667 30.300 -0.155 0.000 0.943 309 R HN 0.493 nan 8.270 nan 0.000 0.574 310 N N 2.133 120.886 118.700 0.088 0.000 2.513 310 N HA 0.027 4.766 4.740 -0.001 0.000 0.268 310 N C -0.212 175.380 175.510 0.136 0.000 1.180 310 N CA -0.123 52.975 53.050 0.080 0.000 0.948 310 N CB 0.436 38.914 38.487 -0.015 0.000 1.083 310 N HN 0.164 nan 8.380 nan 0.000 0.455 311 L N 2.250 123.507 121.223 0.057 0.000 2.369 311 L HA 0.291 4.630 4.340 -0.001 0.000 0.279 311 L C -0.189 176.581 176.870 -0.168 0.000 1.108 311 L CA 0.260 55.019 54.840 -0.136 0.000 0.852 311 L CB 0.053 42.054 42.059 -0.096 0.000 1.169 311 L HN 0.723 nan 8.230 nan 0.000 0.452 312 T N 2.200 116.600 114.554 -0.258 0.000 3.313 312 T HA 0.312 4.661 4.350 -0.001 0.000 0.333 312 T C -1.849 172.727 174.700 -0.206 0.000 0.904 312 T CA -1.177 60.817 62.100 -0.176 0.000 1.079 312 T CB 1.074 69.872 68.868 -0.117 0.000 1.017 312 T HN 0.369 nan 8.240 nan 0.000 0.471 313 P HA -0.073 nan 4.420 nan 0.000 0.223 313 P C 0.854 178.077 177.300 -0.129 0.000 1.140 313 P CA 2.381 65.387 63.100 -0.156 0.000 0.797 313 P CB -0.400 31.233 31.700 -0.110 0.000 0.748 314 G N -0.886 107.838 108.800 -0.126 0.000 2.423 314 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.234 314 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.234 314 G C 0.055 174.904 174.900 -0.085 0.000 2.480 314 G CA -0.401 44.637 45.100 -0.102 0.000 0.953 314 G HN 0.282 nan 8.290 nan 0.000 0.575 315 N N -0.189 118.460 118.700 -0.085 0.000 2.461 315 N HA 0.050 4.790 4.740 -0.001 0.000 0.188 315 N C 0.222 175.687 175.510 -0.075 0.000 1.134 315 N CA 0.605 53.612 53.050 -0.072 0.000 0.878 315 N CB 0.296 38.743 38.487 -0.067 0.000 0.972 315 N HN 0.374 nan 8.380 nan 0.000 0.456 316 T N 0.871 115.374 114.554 -0.085 0.000 2.856 316 T HA 0.179 4.529 4.350 -0.001 0.000 0.283 316 T C -0.468 174.179 174.700 -0.087 0.000 1.008 316 T CA -0.922 61.123 62.100 -0.093 0.000 0.997 316 T CB 1.255 70.056 68.868 -0.112 0.000 0.992 316 T HN 0.220 nan 8.240 nan 0.000 0.454 317 N N 1.511 120.159 118.700 -0.086 0.000 2.441 317 N HA 0.016 4.756 4.740 -0.001 0.000 0.251 317 N C 0.446 175.897 175.510 -0.098 0.000 1.242 317 N CA -0.147 52.856 53.050 -0.079 0.000 0.898 317 N CB 0.650 39.097 38.487 -0.067 0.000 1.100 317 N HN 0.448 nan 8.380 nan 0.000 0.443 318 T N 0.275 114.774 114.554 -0.092 0.000 3.054 318 T HA 0.013 4.362 4.350 -0.001 0.000 0.259 318 T C 0.676 175.290 174.700 -0.143 0.000 1.092 318 T CA 0.551 62.588 62.100 -0.105 0.000 1.121 318 T CB 0.060 68.880 68.868 -0.080 0.000 0.912 318 T HN 0.551 nan 8.240 nan 0.000 0.489 319 R N 0.272 120.693 120.500 -0.131 0.000 2.873 319 R HA 0.804 5.143 4.340 -0.001 0.000 0.264 319 R C -1.626 174.587 176.300 -0.145 0.000 1.026 319 R CA -0.908 55.102 56.100 -0.151 0.000 1.002 319 R CB 1.793 32.020 30.300 -0.121 0.000 1.174 319 R HN -0.100 nan 8.270 nan 0.000 0.488 320 V N 0.806 120.624 119.914 -0.160 0.000 2.760 320 V HA 0.385 4.505 4.120 -0.001 0.000 0.309 320 V C -0.768 175.244 176.094 -0.136 0.000 1.077 320 V CA -0.749 61.471 62.300 -0.133 0.000 0.910 320 V CB 2.418 34.155 31.823 -0.144 0.000 1.008 320 V HN 0.903 nan 8.190 nan 0.000 0.424 321 S N 3.909 119.530 115.700 -0.131 0.000 2.532 321 S HA 0.779 5.248 4.470 -0.001 0.000 0.301 321 S C -0.523 173.893 174.600 -0.306 0.000 1.083 321 S CA -0.820 57.230 58.200 -0.248 0.000 1.025 321 S CB 1.869 64.990 63.200 -0.133 0.000 1.056 321 S HN 0.732 nan 8.310 nan 0.000 0.494 322 R N 1.917 122.110 120.500 -0.513 0.000 2.569 322 R HA 0.348 4.687 4.340 -0.001 0.000 0.293 322 R C -2.162 173.860 176.300 -0.464 0.000 1.186 322 R CA -0.317 55.580 56.100 -0.337 0.000 0.956 322 R CB 0.728 30.942 30.300 -0.144 0.000 1.196 322 R HN 0.765 nan 8.270 nan 0.000 0.444 323 Y N 1.536 121.854 120.300 0.029 0.000 2.393 323 Y HA 0.375 4.924 4.550 -0.001 0.000 0.341 323 Y C 0.122 176.051 175.900 0.049 0.000 0.988 323 Y CA -0.730 57.399 58.100 0.048 0.000 1.078 323 Y CB 2.517 41.016 38.460 0.066 0.000 1.203 323 Y HN 0.549 nan 8.280 nan 0.000 0.453 324 S N 1.280 117.125 115.700 0.241 0.000 2.502 324 S HA 0.717 5.186 4.470 -0.001 0.000 0.304 324 S C -0.771 173.927 174.600 0.164 0.000 1.097 324 S CA -0.805 57.492 58.200 0.163 0.000 1.045 324 S CB 1.875 65.148 63.200 0.122 0.000 1.019 324 S HN 0.499 nan 8.310 nan 0.000 0.481 325 S N 1.589 117.389 115.700 0.167 0.000 2.594 325 S HA 0.676 5.145 4.470 -0.001 0.000 0.296 325 S C -1.090 173.660 174.600 0.250 0.000 1.124 325 S CA -0.443 57.871 58.200 0.189 0.000 1.011 325 S CB 1.343 64.676 63.200 0.221 0.000 1.016 325 S HN 0.781 nan 8.310 nan 0.000 0.485 326 T N 3.763 118.405 114.554 0.146 0.000 2.809 326 T HA 0.833 5.182 4.350 -0.001 0.000 0.296 326 T C -0.267 174.430 174.700 -0.006 0.000 1.015 326 T CA -0.206 61.958 62.100 0.107 0.000 0.954 326 T CB 0.993 69.898 68.868 0.062 0.000 0.950 326 T HN 1.014 nan 8.240 nan 0.000 0.450 327 A N 2.828 125.575 122.820 -0.122 0.000 2.438 327 A HA 0.742 5.061 4.320 -0.001 0.000 0.301 327 A C -0.908 176.463 177.584 -0.354 0.000 1.101 327 A CA -1.164 50.729 52.037 -0.240 0.000 0.621 327 A CB 0.650 19.490 19.000 -0.267 0.000 1.350 327 A HN 0.554 nan 8.150 nan 0.000 0.496 328 R N 1.540 121.883 120.500 -0.262 0.000 2.637 328 R HA 0.174 4.514 4.340 -0.001 0.000 0.331 328 R C -0.805 175.336 176.300 -0.265 0.000 1.166 328 R CA 0.614 56.597 56.100 -0.195 0.000 0.993 328 R CB -1.020 29.205 30.300 -0.124 0.000 1.012 328 R HN 0.574 nan 8.270 nan 0.000 0.461 329 H N 3.895 122.915 119.070 -0.084 0.000 2.517 329 H HA 0.312 4.867 4.556 -0.001 0.000 0.317 329 H C -0.158 175.087 175.328 -0.138 0.000 1.080 329 H CA -0.360 55.618 56.048 -0.116 0.000 1.301 329 H CB 1.103 30.767 29.762 -0.164 0.000 1.425 329 H HN 0.410 nan 8.280 nan 0.000 0.471 330 R N 2.921 123.429 120.500 0.013 0.000 2.562 330 R HA 0.267 4.606 4.340 -0.001 0.000 0.298 330 R C -1.028 175.231 176.300 -0.070 0.000 0.961 330 R CA -1.163 54.910 56.100 -0.044 0.000 0.881 330 R CB 1.254 31.534 30.300 -0.032 0.000 1.159 330 R HN 0.277 nan 8.270 nan 0.000 0.450 331 L N 5.371 126.526 121.223 -0.112 0.000 2.288 331 L HA 0.346 4.686 4.340 -0.001 0.000 0.283 331 L C 0.006 176.820 176.870 -0.093 0.000 1.072 331 L CA -0.225 54.538 54.840 -0.128 0.000 0.862 331 L CB 0.359 42.308 42.059 -0.183 0.000 1.245 331 L HN 0.550 nan 8.230 nan 0.000 0.432 332 R N 3.133 123.595 120.500 -0.062 0.000 2.980 332 R HA 0.356 4.695 4.340 -0.001 0.000 0.285 332 R C -0.113 176.154 176.300 -0.056 0.000 1.072 332 R CA -0.329 55.743 56.100 -0.046 0.000 1.203 332 R CB 0.069 30.353 30.300 -0.026 0.000 1.163 332 R HN 0.717 nan 8.270 nan 0.000 0.545 333 R N -2.338 118.139 120.500 -0.039 0.000 2.868 333 R HA 0.317 4.657 4.340 -0.001 0.000 0.262 333 R C -0.339 175.951 176.300 -0.016 0.000 1.163 333 R CA 0.437 56.516 56.100 -0.036 0.000 1.105 333 R CB 0.496 30.767 30.300 -0.048 0.000 1.270 333 R HN 0.697 nan 8.270 nan 0.000 0.437 334 G N 1.363 110.155 108.800 -0.012 0.000 4.111 334 G HA2 0.180 4.139 3.960 -0.001 0.000 0.216 334 G HA3 0.180 4.139 3.960 -0.001 0.000 0.216 334 G C 0.611 175.511 174.900 -0.000 0.000 0.822 334 G CA 0.245 45.343 45.100 -0.003 0.000 0.845 334 G HN 0.860 nan 8.290 nan 0.000 0.533 335 A N 1.924 124.743 122.820 -0.001 0.000 1.839 335 A HA 0.157 4.476 4.320 -0.001 0.000 0.213 335 A C 1.833 179.421 177.584 0.007 0.000 1.274 335 A CA 2.247 54.287 52.037 0.005 0.000 0.608 335 A CB -0.539 18.466 19.000 0.009 0.000 0.920 335 A HN 0.305 nan 8.150 nan 0.000 0.465 336 D N -2.154 118.251 120.400 0.008 0.000 2.327 336 D HA 0.267 4.906 4.640 -0.001 0.000 0.205 336 D C 1.077 177.381 176.300 0.007 0.000 0.989 336 D CA 1.087 55.093 54.000 0.011 0.000 0.873 336 D CB 0.296 41.106 40.800 0.017 0.000 0.955 336 D HN 0.906 nan 8.370 nan 0.000 0.515 337 G N 1.422 110.222 108.800 0.000 0.000 2.155 337 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.130 337 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.130 337 G C 0.372 175.264 174.900 -0.014 0.000 1.027 337 G CA 0.129 45.228 45.100 -0.002 0.000 0.705 337 G HN 0.526 nan 8.290 nan 0.000 0.496 338 T N -1.545 112.993 114.554 -0.026 0.000 2.910 338 T HA 0.821 5.170 4.350 -0.001 0.000 0.279 338 T C 0.591 175.248 174.700 -0.071 0.000 0.989 338 T CA 0.200 62.268 62.100 -0.053 0.000 0.968 338 T CB 2.008 70.833 68.868 -0.072 0.000 1.135 338 T HN 1.615 nan 8.240 nan 0.000 0.562 339 A N 0.872 123.629 122.820 -0.106 0.000 2.409 339 A HA 0.495 4.814 4.320 -0.001 0.000 0.267 339 A C 0.151 177.675 177.584 -0.100 0.000 1.127 339 A CA -0.525 51.447 52.037 -0.109 0.000 0.795 339 A CB -0.329 18.591 19.000 -0.133 0.000 1.061 339 A HN 0.806 nan 8.150 nan 0.000 0.502 340 E N 1.002 121.163 120.200 -0.064 0.000 2.212 340 E HA 0.537 4.887 4.350 -0.001 0.000 0.268 340 E C -1.717 174.870 176.600 -0.022 0.000 0.902 340 E CA -0.784 55.597 56.400 -0.032 0.000 0.779 340 E CB 2.255 31.945 29.700 -0.016 0.000 1.172 340 E HN 0.456 nan 8.360 nan 0.000 0.409 341 L N 2.324 123.553 121.223 0.009 0.000 2.441 341 L HA 0.270 4.610 4.340 -0.001 0.000 0.270 341 L C -0.695 176.203 176.870 0.048 0.000 0.973 341 L CA -0.345 54.504 54.840 0.015 0.000 0.842 341 L CB 1.745 43.820 42.059 0.027 0.000 1.239 341 L HN 0.538 nan 8.230 nan 0.000 0.406 342 T N 0.815 115.397 114.554 0.047 0.000 2.749 342 T HA 0.751 5.101 4.350 -0.001 0.000 0.295 342 T C 0.050 174.822 174.700 0.119 0.000 0.936 342 T CA -0.305 61.836 62.100 0.067 0.000 1.060 342 T CB 0.629 69.524 68.868 0.044 0.000 0.904 342 T HN 0.660 nan 8.240 nan 0.000 0.500 343 T N 2.472 117.104 114.554 0.130 0.000 2.932 343 T HA 0.313 4.662 4.350 -0.001 0.000 0.318 343 T C 1.208 176.005 174.700 0.162 0.000 1.265 343 T CA -0.849 61.370 62.100 0.198 0.000 1.036 343 T CB 1.808 70.740 68.868 0.107 0.000 1.209 343 T HN 0.582 nan 8.240 nan 0.000 0.484 344 T N 1.350 116.013 114.554 0.183 0.000 3.025 344 T HA -0.034 4.315 4.350 -0.001 0.000 0.270 344 T C 2.122 176.875 174.700 0.089 0.000 1.126 344 T CA 1.092 63.254 62.100 0.102 0.000 1.105 344 T CB -0.160 68.758 68.868 0.084 0.000 0.884 344 T HN 0.686 nan 8.240 nan 0.000 0.522 345 A N 1.600 124.503 122.820 0.138 0.000 1.872 345 A HA 0.292 4.612 4.320 -0.001 0.000 0.214 345 A C 2.681 180.381 177.584 0.193 0.000 1.187 345 A CA 1.387 53.523 52.037 0.165 0.000 0.614 345 A CB -1.077 18.021 19.000 0.164 0.000 0.826 345 A HN 0.496 nan 8.150 nan 0.000 0.442 346 A N -0.767 122.178 122.820 0.208 0.000 2.024 346 A HA -0.076 4.243 4.320 -0.001 0.000 0.220 346 A C 2.120 179.833 177.584 0.215 0.000 1.164 346 A CA 2.252 54.465 52.037 0.293 0.000 0.643 346 A CB -1.438 17.723 19.000 0.269 0.000 0.806 346 A HN 0.468 nan 8.150 nan 0.000 0.451 347 T N -0.182 114.431 114.554 0.099 0.000 2.654 347 T HA -0.384 3.965 4.350 -0.001 0.000 0.251 347 T C 1.985 176.724 174.700 0.064 0.000 1.163 347 T CA 2.645 64.763 62.100 0.031 0.000 1.136 347 T CB -0.328 68.499 68.868 -0.068 0.000 0.839 347 T HN 0.712 nan 8.240 nan 0.000 0.466 348 R N 0.366 120.921 120.500 0.092 0.000 2.052 348 R HA 0.079 4.419 4.340 -0.001 0.000 0.226 348 R C 2.036 178.537 176.300 0.335 0.000 1.145 348 R CA 1.334 57.580 56.100 0.244 0.000 0.952 348 R CB -1.214 29.303 30.300 0.362 0.000 0.847 348 R HN 0.347 nan 8.270 nan 0.000 0.431 349 F N 0.844 120.928 119.950 0.222 0.000 2.323 349 F HA -0.247 4.280 4.527 -0.001 0.000 0.301 349 F C 1.529 177.387 175.800 0.097 0.000 1.060 349 F CA 1.181 59.285 58.000 0.175 0.000 1.398 349 F CB -0.179 38.928 39.000 0.178 0.000 1.075 349 F HN 0.107 nan 8.300 nan 0.000 0.540 350 M N 0.453 120.075 119.600 0.037 0.000 2.218 350 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 350 M C 0.928 177.214 176.300 -0.024 0.000 1.081 350 M CA 1.400 56.686 55.300 -0.024 0.000 1.100 350 M CB -1.258 31.363 32.600 0.035 0.000 1.258 350 M HN -0.147 nan 8.290 nan 0.000 0.438 351 K N 2.446 122.810 120.400 -0.061 0.000 2.253 351 K HA -0.037 4.282 4.320 -0.001 0.000 0.273 351 K C -0.584 175.846 176.600 -0.283 0.000 1.118 351 K CA 0.110 56.344 56.287 -0.088 0.000 1.100 351 K CB -0.673 31.768 32.500 -0.098 0.000 0.932 351 K HN 0.347 nan 8.250 nan 0.000 0.433 352 D N 0.848 121.160 120.400 -0.147 0.000 2.523 352 D HA 0.165 4.804 4.640 -0.001 0.000 0.236 352 D C 1.033 177.255 176.300 -0.130 0.000 1.094 352 D CA -0.868 52.998 54.000 -0.225 0.000 0.942 352 D CB 0.714 41.334 40.800 -0.300 0.000 1.447 352 D HN 0.099 nan 8.370 nan 0.000 0.479 353 L N -0.362 120.813 121.223 -0.079 0.000 2.012 353 L HA -0.309 4.031 4.340 -0.001 0.000 0.236 353 L C 2.150 179.032 176.870 0.019 0.000 1.099 353 L CA 2.102 56.932 54.840 -0.016 0.000 0.821 353 L CB -0.850 41.210 42.059 0.002 0.000 0.918 353 L HN 0.584 nan 8.230 nan 0.000 0.445 354 Y N -0.147 120.052 120.300 -0.169 0.000 2.446 354 Y HA -0.236 4.313 4.550 -0.001 0.000 0.287 354 Y C 1.799 177.695 175.900 -0.005 0.000 1.159 354 Y CA 0.850 58.870 58.100 -0.132 0.000 1.297 354 Y CB -0.357 37.976 38.460 -0.212 0.000 0.974 354 Y HN 0.066 nan 8.280 nan 0.000 0.557 355 F N -0.302 119.564 119.950 -0.140 0.000 2.695 355 F HA 0.089 4.615 4.527 -0.001 0.000 0.301 355 F C 1.622 177.320 175.800 -0.170 0.000 1.182 355 F CA 0.193 58.065 58.000 -0.214 0.000 1.412 355 F CB -1.143 37.768 39.000 -0.149 0.000 1.056 355 F HN -0.117 nan 8.300 nan 0.000 0.522 356 T N -1.186 113.380 114.554 0.021 0.000 3.219 356 T HA 0.030 4.379 4.350 -0.001 0.000 0.249 356 T C 0.793 175.472 174.700 -0.035 0.000 1.099 356 T CA 0.164 62.263 62.100 -0.000 0.000 0.988 356 T CB -0.387 68.486 68.868 0.009 0.000 0.999 356 T HN 0.196 nan 8.240 nan 0.000 0.550 357 S N 0.946 116.599 115.700 -0.078 0.000 2.454 357 S HA 0.407 4.876 4.470 -0.001 0.000 0.306 357 S C 0.019 174.563 174.600 -0.093 0.000 1.100 357 S CA -0.778 57.369 58.200 -0.088 0.000 1.087 357 S CB 1.006 64.127 63.200 -0.132 0.000 1.019 357 S HN 0.096 nan 8.310 nan 0.000 0.480 358 T N 4.445 118.956 114.554 -0.072 0.000 2.657 358 T HA -0.091 4.258 4.350 -0.001 0.000 0.245 358 T C 0.339 174.972 174.700 -0.113 0.000 1.021 358 T CA 0.474 62.526 62.100 -0.080 0.000 1.155 358 T CB -0.553 68.280 68.868 -0.058 0.000 1.022 358 T HN 0.672 nan 8.240 nan 0.000 0.477 359 N N 3.357 121.966 118.700 -0.151 0.000 2.394 359 N HA 0.105 4.845 4.740 -0.001 0.000 0.288 359 N C 0.771 176.186 175.510 -0.157 0.000 1.272 359 N CA 0.106 53.027 53.050 -0.216 0.000 1.004 359 N CB 0.282 38.593 38.487 -0.293 0.000 1.393 359 N HN 0.774 nan 8.380 nan 0.000 0.488 360 G N 0.450 109.176 108.800 -0.123 0.000 2.503 360 G HA2 0.274 4.233 3.960 -0.001 0.000 0.257 360 G HA3 0.274 4.233 3.960 -0.001 0.000 0.257 360 G C 0.175 175.025 174.900 -0.083 0.000 1.214 360 G CA -0.511 44.542 45.100 -0.077 0.000 0.839 360 G HN 0.307 nan 8.290 nan 0.000 0.559 361 V N 1.585 121.464 119.914 -0.058 0.000 2.508 361 V HA 0.501 4.620 4.120 -0.001 0.000 0.281 361 V C 1.443 177.524 176.094 -0.021 0.000 1.041 361 V CA 1.324 63.593 62.300 -0.051 0.000 1.016 361 V CB 0.488 32.288 31.823 -0.039 0.000 0.984 361 V HN 1.710 nan 8.190 nan 0.000 0.478 362 G N 3.670 112.464 108.800 -0.011 0.000 2.175 362 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.244 362 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.244 362 G C 0.009 174.950 174.900 0.069 0.000 0.982 362 G CA -0.046 45.070 45.100 0.027 0.000 0.641 362 G HN 0.664 nan 8.290 nan 0.000 0.527 363 E N 0.007 120.251 120.200 0.073 0.000 2.289 363 E HA 0.487 4.837 4.350 -0.001 0.000 0.278 363 E C 0.037 176.830 176.600 0.321 0.000 1.032 363 E CA -0.479 56.024 56.400 0.172 0.000 0.854 363 E CB 0.859 30.638 29.700 0.132 0.000 1.046 363 E HN 0.311 nan 8.360 nan 0.000 0.409 364 I N 1.752 122.522 120.570 0.333 0.000 2.488 364 I HA 0.305 4.474 4.170 -0.001 0.000 0.299 364 I C 0.744 177.011 176.117 0.250 0.000 0.984 364 I CA -0.227 61.261 61.300 0.313 0.000 1.250 364 I CB 1.659 39.786 38.000 0.213 0.000 1.389 364 I HN 0.405 nan 8.210 nan 0.000 0.488 365 G N 4.051 112.796 108.800 -0.092 0.000 2.388 365 G HA2 0.565 4.524 3.960 -0.001 0.000 0.330 365 G HA3 0.565 4.524 3.960 -0.001 0.000 0.330 365 G C -0.253 174.489 174.900 -0.264 0.000 1.142 365 G CA -0.774 44.015 45.100 -0.517 0.000 0.908 365 G HN 0.481 nan 8.290 nan 0.000 0.473 366 R N -0.028 120.346 120.500 -0.209 0.000 2.784 366 R HA 0.469 4.808 4.340 -0.001 0.000 0.266 366 R C 0.628 176.859 176.300 -0.116 0.000 1.044 366 R CA 1.177 57.180 56.100 -0.162 0.000 1.151 366 R CB 0.533 30.720 30.300 -0.189 0.000 1.037 366 R HN 1.168 nan 8.270 nan 0.000 0.478 367 G N 1.658 110.450 108.800 -0.014 0.000 3.448 367 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.685 367 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.685 367 G C -1.135 173.956 174.900 0.317 0.000 1.151 367 G CA -1.021 44.149 45.100 0.116 0.000 1.023 367 G HN 0.318 nan 8.290 nan 0.000 0.499 368 I N 1.546 122.299 120.570 0.305 0.000 2.603 368 I HA 0.897 5.066 4.170 -0.001 0.000 0.300 368 I C 0.586 176.824 176.117 0.201 0.000 1.017 368 I CA -0.700 60.798 61.300 0.329 0.000 1.098 368 I CB 2.174 40.286 38.000 0.187 0.000 1.279 368 I HN 1.184 nan 8.210 nan 0.000 0.437 369 A N 4.238 127.067 122.820 0.016 0.000 2.414 369 A HA 0.788 5.107 4.320 -0.001 0.000 0.306 369 A C -1.014 176.556 177.584 -0.024 0.000 1.054 369 A CA -0.658 51.253 52.037 -0.211 0.000 0.724 369 A CB 1.212 19.667 19.000 -0.907 0.000 1.267 369 A HN 0.638 nan 8.150 nan 0.000 0.418 370 L N 1.235 122.450 121.223 -0.012 0.000 2.473 370 L HA 0.578 4.918 4.340 -0.001 0.000 0.268 370 L C 0.050 176.778 176.870 -0.236 0.000 1.215 370 L CA 1.278 56.031 54.840 -0.145 0.000 0.823 370 L CB 0.813 42.783 42.059 -0.148 0.000 1.099 370 L HN 0.703 nan 8.230 nan 0.000 0.483 371 T N 5.333 119.677 114.554 -0.349 0.000 2.928 371 T HA 0.515 4.864 4.350 -0.001 0.000 0.296 371 T C -0.656 173.826 174.700 -0.363 0.000 1.000 371 T CA -0.459 61.456 62.100 -0.309 0.000 0.989 371 T CB 0.938 69.610 68.868 -0.326 0.000 1.005 371 T HN 0.450 nan 8.240 nan 0.000 0.442 372 L N 3.415 124.503 121.223 -0.226 0.000 2.329 372 L HA 0.627 4.966 4.340 -0.001 0.000 0.279 372 L C -0.895 176.058 176.870 0.139 0.000 1.014 372 L CA -0.866 53.901 54.840 -0.121 0.000 0.814 372 L CB 1.480 43.499 42.059 -0.066 0.000 1.257 372 L HN 0.623 nan 8.230 nan 0.000 0.424 373 F N 2.157 122.125 119.950 0.031 0.000 2.460 373 F HA 0.360 4.886 4.527 -0.001 0.000 0.341 373 F C 0.073 175.885 175.800 0.020 0.000 1.130 373 F CA -0.876 57.135 58.000 0.019 0.000 0.962 373 F CB 1.767 40.807 39.000 0.066 0.000 1.171 373 F HN 0.532 nan 8.300 nan 0.000 0.436 374 N N 5.625 124.435 118.700 0.183 0.000 2.558 374 N HA 0.442 5.181 4.740 -0.001 0.000 0.242 374 N C -1.536 174.010 175.510 0.059 0.000 0.979 374 N CA -0.700 52.410 53.050 0.100 0.000 0.931 374 N CB 1.288 39.819 38.487 0.074 0.000 1.122 374 N HN 0.263 nan 8.380 nan 0.000 0.508 375 L N 0.014 121.267 121.223 0.051 0.000 2.323 375 L HA 0.843 5.182 4.340 -0.001 0.000 0.265 375 L C 0.313 177.196 176.870 0.021 0.000 1.012 375 L CA -1.632 53.219 54.840 0.018 0.000 0.820 375 L CB 0.270 42.324 42.059 -0.009 0.000 1.334 375 L HN 0.213 nan 8.230 nan 0.000 0.427 376 A N -0.008 122.820 122.820 0.012 0.000 2.425 376 A HA 0.259 4.578 4.320 -0.001 0.000 0.242 376 A C 0.801 178.396 177.584 0.019 0.000 1.077 376 A CA -0.098 51.948 52.037 0.015 0.000 0.781 376 A CB -0.168 18.838 19.000 0.010 0.000 1.020 376 A HN 0.880 nan 8.150 nan 0.000 0.494 377 D N 1.335 121.749 120.400 0.023 0.000 2.182 377 D HA -0.135 4.504 4.640 -0.001 0.000 0.201 377 D C 1.812 178.125 176.300 0.022 0.000 0.986 377 D CA 2.057 56.073 54.000 0.026 0.000 0.847 377 D CB -0.558 40.259 40.800 0.028 0.000 0.942 377 D HN 0.671 nan 8.370 nan 0.000 0.467 378 T N 2.039 116.603 114.554 0.018 0.000 2.624 378 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 378 T C 2.288 176.998 174.700 0.015 0.000 1.041 378 T CA 0.940 63.050 62.100 0.016 0.000 1.159 378 T CB -0.467 68.408 68.868 0.012 0.000 0.863 378 T HN 0.192 nan 8.240 nan 0.000 0.434 379 L N 0.436 121.666 121.223 0.012 0.000 2.201 379 L HA 0.026 4.365 4.340 -0.001 0.000 0.212 379 L C 2.505 179.385 176.870 0.016 0.000 1.105 379 L CA 0.616 55.461 54.840 0.009 0.000 0.775 379 L CB -0.916 41.141 42.059 -0.004 0.000 0.913 379 L HN 0.221 nan 8.230 nan 0.000 0.440 380 L N 0.425 121.662 121.223 0.023 0.000 2.030 380 L HA -0.271 4.068 4.340 -0.001 0.000 0.222 380 L C 2.695 179.584 176.870 0.032 0.000 1.082 380 L CA 1.819 56.678 54.840 0.032 0.000 0.785 380 L CB -1.331 40.749 42.059 0.034 0.000 0.895 380 L HN 0.404 nan 8.230 nan 0.000 0.439 381 G N -0.721 108.096 108.800 0.028 0.000 2.422 381 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 381 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 381 G C 1.393 176.312 174.900 0.032 0.000 1.146 381 G CA 0.642 45.760 45.100 0.029 0.000 0.769 381 G HN 0.530 nan 8.290 nan 0.000 0.547 382 G N -0.060 108.758 108.800 0.030 0.000 3.028 382 G HA2 0.284 4.243 3.960 -0.001 0.000 0.205 382 G HA3 0.284 4.243 3.960 -0.001 0.000 0.205 382 G C 0.394 175.311 174.900 0.029 0.000 1.182 382 G CA -0.225 44.897 45.100 0.036 0.000 0.860 382 G HN 0.370 nan 8.290 nan 0.000 0.507 383 L N 0.792 122.032 121.223 0.028 0.000 2.344 383 L HA 0.432 4.771 4.340 -0.001 0.000 0.272 383 L C -1.835 175.054 176.870 0.033 0.000 1.035 383 L CA -2.259 52.596 54.840 0.024 0.000 0.807 383 L CB 2.134 44.220 42.059 0.045 0.000 1.237 383 L HN -0.069 nan 8.230 nan 0.000 0.442 384 P HA 0.154 nan 4.420 nan 0.000 0.281 384 P C 0.267 177.593 177.300 0.044 0.000 1.249 384 P CA -0.398 62.722 63.100 0.033 0.000 0.810 384 P CB 1.233 32.943 31.700 0.017 0.000 1.008 385 T N 1.106 115.683 114.554 0.039 0.000 2.564 385 T HA -0.243 4.106 4.350 -0.001 0.000 0.264 385 T C 1.537 176.264 174.700 0.044 0.000 1.100 385 T CA 2.031 64.152 62.100 0.035 0.000 1.171 385 T CB -0.726 68.158 68.868 0.028 0.000 0.863 385 T HN 0.571 nan 8.240 nan 0.000 0.430 386 E N 0.395 120.625 120.200 0.050 0.000 2.187 386 E HA -0.143 4.206 4.350 -0.001 0.000 0.199 386 E C 2.220 178.891 176.600 0.117 0.000 1.004 386 E CA 0.974 57.414 56.400 0.068 0.000 0.813 386 E CB -0.297 29.446 29.700 0.071 0.000 0.736 386 E HN 0.470 nan 8.360 nan 0.000 0.468 387 L N 0.174 121.489 121.223 0.152 0.000 2.034 387 L HA -0.110 4.229 4.340 -0.001 0.000 0.203 387 L C 2.467 179.459 176.870 0.203 0.000 1.074 387 L CA 0.721 55.734 54.840 0.287 0.000 0.748 387 L CB -0.362 41.837 42.059 0.233 0.000 0.905 387 L HN 0.129 nan 8.230 nan 0.000 0.439 388 I N 0.267 120.907 120.570 0.116 0.000 2.248 388 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 388 I C 2.775 178.895 176.117 0.006 0.000 1.107 388 I CA 1.673 63.013 61.300 0.066 0.000 1.373 388 I CB -0.491 37.536 38.000 0.045 0.000 1.055 388 I HN 0.371 nan 8.210 nan 0.000 0.418 389 S N 0.314 116.010 115.700 -0.007 0.000 2.399 389 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 389 S C 1.337 175.859 174.600 -0.130 0.000 1.022 389 S CA 0.687 58.855 58.200 -0.053 0.000 0.983 389 S CB -0.731 62.449 63.200 -0.034 0.000 0.803 389 S HN 0.505 nan 8.310 nan 0.000 0.480 390 S N 1.271 116.851 115.700 -0.201 0.000 2.955 390 S HA 0.700 5.169 4.470 -0.001 0.000 0.294 390 S C 0.384 174.709 174.600 -0.458 0.000 1.198 390 S CA -0.295 57.681 58.200 -0.373 0.000 1.008 390 S CB -0.110 62.770 63.200 -0.533 0.000 1.279 390 S HN 1.656 nan 8.310 nan 0.000 0.508 391 A N 1.995 124.617 122.820 -0.329 0.000 2.917 391 A HA 0.192 4.511 4.320 -0.001 0.000 0.286 391 A C 1.371 178.857 177.584 -0.162 0.000 1.435 391 A CA 0.358 52.224 52.037 -0.285 0.000 0.737 391 A CB -2.212 16.572 19.000 -0.361 0.000 1.049 391 A HN 2.619 nan 8.150 nan 0.000 0.483 392 G N -1.099 107.639 108.800 -0.104 0.000 2.361 392 G HA2 0.277 4.236 3.960 -0.001 0.000 0.294 392 G HA3 0.277 4.236 3.960 -0.001 0.000 0.294 392 G C 1.536 176.449 174.900 0.022 0.000 1.004 392 G CA 1.268 46.351 45.100 -0.028 0.000 0.870 392 G HN 3.155 nan 8.290 nan 0.000 0.510 393 G N -1.614 107.199 108.800 0.021 0.000 2.392 393 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.290 393 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.290 393 G C 0.276 175.354 174.900 0.298 0.000 1.032 393 G CA 0.937 46.168 45.100 0.219 0.000 1.269 393 G HN 1.299 nan 8.290 nan 0.000 0.511 394 Q N -1.640 118.230 119.800 0.117 0.000 1.793 394 Q HA 0.210 4.549 4.340 -0.001 0.000 0.186 394 Q C 0.079 176.006 176.000 -0.122 0.000 0.714 394 Q CA -0.256 55.636 55.803 0.148 0.000 0.808 394 Q CB 0.885 29.649 28.738 0.043 0.000 1.211 394 Q HN 0.577 nan 8.270 nan 0.000 0.402 395 L N 1.231 122.106 121.223 -0.579 0.000 2.415 395 L HA 0.592 4.932 4.340 -0.001 0.000 0.268 395 L C -1.678 174.546 176.870 -1.077 0.000 0.984 395 L CA -0.374 54.061 54.840 -0.677 0.000 0.853 395 L CB 0.745 42.469 42.059 -0.558 0.000 1.215 395 L HN -0.112 nan 8.230 nan 0.000 0.419 396 F N 2.959 122.517 119.950 -0.652 0.000 2.692 396 F HA 0.638 5.164 4.527 -0.001 0.000 0.320 396 F C -0.940 174.449 175.800 -0.686 0.000 1.123 396 F CA -1.038 56.631 58.000 -0.550 0.000 0.961 396 F CB 1.329 40.097 39.000 -0.388 0.000 1.383 396 F HN 0.145 nan 8.300 nan 0.000 0.483 397 Y N -0.199 120.167 120.300 0.110 0.000 2.524 397 Y HA 0.699 5.248 4.550 -0.001 0.000 0.344 397 Y C -0.101 175.942 175.900 0.238 0.000 1.012 397 Y CA -0.985 57.149 58.100 0.058 0.000 1.068 397 Y CB 2.338 40.776 38.460 -0.035 0.000 1.249 397 Y HN 0.581 nan 8.280 nan 0.000 0.468 398 S N 0.956 116.880 115.700 0.374 0.000 2.579 398 S HA 0.798 5.268 4.470 -0.001 0.000 0.272 398 S C -1.290 173.635 174.600 0.542 0.000 1.141 398 S CA -1.382 57.108 58.200 0.483 0.000 0.843 398 S CB 2.366 65.746 63.200 0.300 0.000 1.122 398 S HN 0.674 nan 8.310 nan 0.000 0.468 399 R N 0.769 121.622 120.500 0.589 0.000 2.778 399 R HA 0.658 4.998 4.340 -0.001 0.000 0.277 399 R C -2.884 173.592 176.300 0.293 0.000 0.977 399 R CA -2.467 53.905 56.100 0.453 0.000 0.950 399 R CB 1.619 32.096 30.300 0.295 0.000 1.165 399 R HN 0.475 nan 8.270 nan 0.000 0.474 400 P HA 0.128 nan 4.420 nan 0.000 0.275 400 P C -0.769 176.647 177.300 0.194 0.000 1.227 400 P CA -0.118 62.933 63.100 -0.081 0.000 0.781 400 P CB 1.197 32.606 31.700 -0.485 0.000 0.906 401 V N 2.829 122.878 119.914 0.225 0.000 3.114 401 V HA 0.341 4.460 4.120 -0.001 0.000 0.308 401 V C -0.095 176.041 176.094 0.070 0.000 1.168 401 V CA -0.928 61.510 62.300 0.230 0.000 1.015 401 V CB 2.517 34.430 31.823 0.151 0.000 1.050 401 V HN 0.228 nan 8.190 nan 0.000 0.433 402 V N 2.440 122.335 119.914 -0.031 0.000 2.334 402 V HA 0.626 4.746 4.120 -0.001 0.000 0.281 402 V C 0.310 176.362 176.094 -0.070 0.000 1.016 402 V CA -0.111 62.107 62.300 -0.136 0.000 0.832 402 V CB 1.238 32.877 31.823 -0.306 0.000 0.999 402 V HN 1.090 nan 8.190 nan 0.000 0.439 403 S N 4.140 119.811 115.700 -0.050 0.000 2.786 403 S HA 0.810 5.279 4.470 -0.001 0.000 0.307 403 S C 1.366 175.942 174.600 -0.041 0.000 1.121 403 S CA -0.031 58.149 58.200 -0.032 0.000 0.975 403 S CB 1.767 64.958 63.200 -0.014 0.000 1.220 403 S HN 0.915 nan 8.310 nan 0.000 0.550 404 A N 1.859 124.661 122.820 -0.030 0.000 1.870 404 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 404 A C 0.979 178.544 177.584 -0.033 0.000 1.224 404 A CA 1.766 53.785 52.037 -0.030 0.000 0.650 404 A CB -1.945 17.042 19.000 -0.021 0.000 0.836 404 A HN 0.932 nan 8.150 nan 0.000 0.454 405 N N 0.996 119.681 118.700 -0.026 0.000 2.374 405 N HA 0.111 4.850 4.740 -0.001 0.000 0.269 405 N C 0.672 176.163 175.510 -0.032 0.000 1.310 405 N CA 0.765 53.801 53.050 -0.024 0.000 0.877 405 N CB 0.194 38.671 38.487 -0.016 0.000 1.096 405 N HN 0.382 nan 8.380 nan 0.000 0.484 406 G N 1.538 110.317 108.800 -0.036 0.000 3.229 406 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.214 406 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.214 406 G C 0.274 175.151 174.900 -0.038 0.000 1.256 406 G CA -0.087 44.985 45.100 -0.047 0.000 1.042 406 G HN 0.629 nan 8.290 nan 0.000 0.497 407 E N 0.126 120.311 120.200 -0.026 0.000 2.227 407 E HA 0.290 4.639 4.350 -0.001 0.000 0.268 407 E C -2.618 173.982 176.600 0.000 0.000 0.990 407 E CA -2.329 54.065 56.400 -0.010 0.000 0.856 407 E CB 1.169 30.869 29.700 -0.001 0.000 1.159 407 E HN -0.066 nan 8.360 nan 0.000 0.401 408 P HA 0.026 nan 4.420 nan 0.000 0.264 408 P C -1.174 176.166 177.300 0.066 0.000 1.193 408 P CA 0.476 63.605 63.100 0.048 0.000 0.763 408 P CB 0.506 32.247 31.700 0.069 0.000 0.810 409 T N 1.498 116.098 114.554 0.076 0.000 3.097 409 T HA 0.463 4.812 4.350 -0.001 0.000 0.332 409 T C -0.661 174.108 174.700 0.115 0.000 1.269 409 T CA -0.595 61.556 62.100 0.084 0.000 1.076 409 T CB 1.106 70.002 68.868 0.047 0.000 1.209 409 T HN 0.235 nan 8.240 nan 0.000 0.474 410 V N -0.064 119.933 119.914 0.139 0.000 2.960 410 V HA 0.795 4.915 4.120 -0.001 0.000 0.315 410 V C -0.355 175.812 176.094 0.121 0.000 1.087 410 V CA -1.242 61.169 62.300 0.184 0.000 0.982 410 V CB 2.014 34.018 31.823 0.303 0.000 1.039 410 V HN 0.881 nan 8.190 nan 0.000 0.437 411 K N 1.912 122.388 120.400 0.127 0.000 2.143 411 K HA 0.592 4.912 4.320 -0.001 0.000 0.272 411 K C -1.133 175.370 176.600 -0.161 0.000 1.001 411 K CA -0.688 55.573 56.287 -0.043 0.000 0.915 411 K CB 1.466 33.925 32.500 -0.068 0.000 1.047 411 K HN 0.694 nan 8.250 nan 0.000 0.458 412 L N 4.371 125.401 121.223 -0.322 0.000 2.343 412 L HA 0.429 4.768 4.340 -0.001 0.000 0.275 412 L C -1.385 175.170 176.870 -0.525 0.000 1.056 412 L CA -0.073 54.608 54.840 -0.266 0.000 0.804 412 L CB 0.694 42.633 42.059 -0.201 0.000 1.203 412 L HN 0.616 nan 8.230 nan 0.000 0.440 413 Y N 0.683 121.070 120.300 0.145 0.000 2.615 413 Y HA 0.376 4.926 4.550 -0.001 0.000 0.341 413 Y C 1.150 177.198 175.900 0.247 0.000 1.089 413 Y CA -0.740 57.463 58.100 0.171 0.000 1.049 413 Y CB 1.561 40.110 38.460 0.148 0.000 1.296 413 Y HN 0.571 nan 8.280 nan 0.000 0.470 414 T N -1.020 113.743 114.554 0.348 0.000 2.809 414 T HA -0.013 4.336 4.350 -0.001 0.000 0.260 414 T C 0.651 175.476 174.700 0.209 0.000 1.039 414 T CA 1.291 63.516 62.100 0.208 0.000 1.141 414 T CB -0.029 68.910 68.868 0.118 0.000 0.869 414 T HN 0.486 nan 8.240 nan 0.000 0.437 415 S N -1.019 114.800 115.700 0.198 0.000 2.811 415 S HA 0.480 4.949 4.470 -0.001 0.000 0.311 415 S C 1.121 175.599 174.600 -0.204 0.000 1.152 415 S CA -0.698 57.546 58.200 0.072 0.000 0.864 415 S CB 1.359 64.541 63.200 -0.029 0.000 1.226 415 S HN -0.087 nan 8.310 nan 0.000 0.541 416 V N 2.029 121.588 119.914 -0.592 0.000 2.323 416 V HA -0.034 4.085 4.120 -0.001 0.000 0.244 416 V C 2.624 178.518 176.094 -0.335 0.000 1.041 416 V CA 1.813 63.710 62.300 -0.670 0.000 1.025 416 V CB -0.810 30.559 31.823 -0.756 0.000 0.656 416 V HN 0.828 nan 8.190 nan 0.000 0.451 417 E N 0.510 120.577 120.200 -0.222 0.000 2.065 417 E HA -0.249 4.101 4.350 -0.001 0.000 0.201 417 E C 2.137 178.660 176.600 -0.128 0.000 1.016 417 E CA 1.560 57.878 56.400 -0.137 0.000 0.818 417 E CB -0.483 29.167 29.700 -0.083 0.000 0.749 417 E HN 0.599 nan 8.360 nan 0.000 0.453 418 N N 0.572 119.221 118.700 -0.086 0.000 2.094 418 N HA -0.194 4.545 4.740 -0.001 0.000 0.191 418 N C 1.824 177.217 175.510 -0.195 0.000 1.023 418 N CA 1.440 54.484 53.050 -0.010 0.000 0.857 418 N CB -0.295 38.277 38.487 0.140 0.000 1.013 418 N HN 0.146 nan 8.380 nan 0.000 0.426 419 A N 1.560 124.089 122.820 -0.486 0.000 1.877 419 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 419 A C 2.140 179.351 177.584 -0.621 0.000 1.186 419 A CA 1.226 52.584 52.037 -1.131 0.000 0.620 419 A CB -0.614 17.949 19.000 -0.729 0.000 0.822 419 A HN 0.352 nan 8.150 nan 0.000 0.443 420 Q N -0.747 118.857 119.800 -0.327 0.000 2.291 420 Q HA -0.157 4.182 4.340 -0.001 0.000 0.206 420 Q C 1.095 177.011 176.000 -0.140 0.000 0.976 420 Q CA 1.349 57.037 55.803 -0.193 0.000 0.875 420 Q CB -0.081 28.578 28.738 -0.131 0.000 0.927 420 Q HN 0.772 nan 8.270 nan 0.000 0.450 421 Q N 0.233 119.961 119.800 -0.120 0.000 2.155 421 Q HA 0.061 4.400 4.340 -0.001 0.000 0.220 421 Q C -0.860 175.151 176.000 0.018 0.000 0.819 421 Q CA -0.201 55.575 55.803 -0.045 0.000 1.032 421 Q CB 0.659 29.382 28.738 -0.025 0.000 1.151 421 Q HN 0.177 nan 8.270 nan 0.000 0.487 422 D N 1.609 122.033 120.400 0.040 0.000 2.737 422 D HA -0.187 4.452 4.640 -0.001 0.000 0.238 422 D C 0.001 176.463 176.300 0.271 0.000 1.157 422 D CA 0.816 54.974 54.000 0.264 0.000 0.694 422 D CB -0.483 40.420 40.800 0.173 0.000 1.021 422 D HN 0.161 nan 8.370 nan 0.000 0.420 423 K N 0.217 120.808 120.400 0.318 0.000 2.397 423 K HA 0.303 4.622 4.320 -0.001 0.000 0.202 423 K C 1.652 178.369 176.600 0.196 0.000 1.022 423 K CA 0.197 56.606 56.287 0.203 0.000 1.141 423 K CB 0.001 32.587 32.500 0.142 0.000 0.857 423 K HN 0.501 nan 8.250 nan 0.000 0.514 424 G N 1.775 110.697 108.800 0.204 0.000 2.431 424 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.940 424 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.940 424 G C -0.000 174.857 174.900 -0.071 0.000 1.407 424 G CA 0.054 45.052 45.100 -0.171 0.000 0.878 424 G HN 0.316 nan 8.290 nan 0.000 0.500 425 I N 0.165 120.670 120.570 -0.108 0.000 2.478 425 I HA 0.521 4.691 4.170 -0.001 0.000 0.287 425 I C 0.480 176.579 176.117 -0.030 0.000 1.042 425 I CA -0.800 60.478 61.300 -0.037 0.000 1.067 425 I CB 2.000 39.978 38.000 -0.037 0.000 1.233 425 I HN 0.711 nan 8.210 nan 0.000 0.431 426 A N 8.402 131.220 122.820 -0.002 0.000 2.444 426 A HA 0.566 4.885 4.320 -0.001 0.000 0.287 426 A C -0.135 177.446 177.584 -0.005 0.000 1.195 426 A CA 0.103 52.140 52.037 0.000 0.000 0.858 426 A CB -0.588 18.421 19.000 0.014 0.000 1.117 426 A HN 0.651 nan 8.150 nan 0.000 0.521 427 I N 3.598 124.156 120.570 -0.019 0.000 2.493 427 I HA 0.380 4.550 4.170 -0.001 0.000 0.298 427 I C -1.420 174.695 176.117 -0.003 0.000 0.998 427 I CA -2.202 59.077 61.300 -0.035 0.000 1.137 427 I CB 2.109 40.060 38.000 -0.082 0.000 1.310 427 I HN 0.415 nan 8.210 nan 0.000 0.445 428 P HA -0.037 nan 4.420 nan 0.000 0.221 428 P C -0.112 177.310 177.300 0.204 0.000 1.155 428 P CA 1.573 64.751 63.100 0.129 0.000 0.812 428 P CB 0.296 32.119 31.700 0.206 0.000 0.801 429 H N -2.969 116.096 119.070 -0.008 0.000 2.917 429 H HA 0.309 4.864 4.556 -0.001 0.000 0.269 429 H C -1.262 174.056 175.328 -0.016 0.000 1.488 429 H CA -0.752 55.289 56.048 -0.011 0.000 1.173 429 H CB -0.422 29.335 29.762 -0.009 0.000 1.868 429 H HN -0.266 nan 8.280 nan 0.000 0.600 430 D N 1.236 121.644 120.400 0.015 0.000 2.383 430 D HA 0.260 4.900 4.640 -0.001 0.000 0.252 430 D C 0.294 176.491 176.300 -0.172 0.000 1.166 430 D CA 0.266 54.224 54.000 -0.070 0.000 0.879 430 D CB 1.228 42.035 40.800 0.011 0.000 1.164 430 D HN 0.255 nan 8.370 nan 0.000 0.462 431 I N 2.078 122.525 120.570 -0.205 0.000 2.330 431 I HA 0.051 4.221 4.170 -0.001 0.000 0.289 431 I C 0.571 176.622 176.117 -0.111 0.000 1.001 431 I CA -0.703 60.484 61.300 -0.189 0.000 1.193 431 I CB 1.445 39.318 38.000 -0.211 0.000 1.345 431 I HN 0.118 nan 8.210 nan 0.000 0.461 432 D N 7.058 127.421 120.400 -0.063 0.000 2.343 432 D HA 0.135 4.774 4.640 -0.001 0.000 0.255 432 D C 0.657 176.913 176.300 -0.074 0.000 1.187 432 D CA 0.003 53.971 54.000 -0.053 0.000 0.875 432 D CB 1.400 42.187 40.800 -0.022 0.000 1.136 432 D HN 0.508 nan 8.370 nan 0.000 0.469 433 L N 3.306 124.470 121.223 -0.098 0.000 2.592 433 L HA 0.217 4.557 4.340 -0.001 0.000 0.227 433 L C 1.586 178.409 176.870 -0.078 0.000 1.127 433 L CA 0.047 54.809 54.840 -0.129 0.000 0.884 433 L CB -0.599 41.317 42.059 -0.238 0.000 1.065 433 L HN 0.613 nan 8.230 nan 0.000 0.457 434 G N 1.468 110.237 108.800 -0.052 0.000 2.740 434 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.250 434 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.250 434 G C -0.112 174.769 174.900 -0.032 0.000 1.358 434 G CA -0.324 44.754 45.100 -0.036 0.000 0.897 434 G HN 0.343 nan 8.290 nan 0.000 0.567 435 E N 0.183 120.366 120.200 -0.028 0.000 2.606 435 E HA 0.439 4.788 4.350 -0.001 0.000 0.248 435 E C 0.620 177.219 176.600 -0.001 0.000 1.005 435 E CA 1.107 57.492 56.400 -0.025 0.000 0.946 435 E CB -0.164 29.524 29.700 -0.019 0.000 0.928 435 E HN 1.360 nan 8.360 nan 0.000 0.494 436 S N 3.575 119.295 115.700 0.033 0.000 2.615 436 S HA 0.561 5.031 4.470 -0.001 0.000 0.269 436 S C -0.878 173.833 174.600 0.184 0.000 1.161 436 S CA -1.253 56.989 58.200 0.071 0.000 0.817 436 S CB 1.268 64.470 63.200 0.004 0.000 1.131 436 S HN 0.490 nan 8.310 nan 0.000 0.467 437 R N 0.852 121.422 120.500 0.117 0.000 2.437 437 R HA 0.729 5.068 4.340 -0.001 0.000 0.310 437 R C -1.762 174.586 176.300 0.080 0.000 0.955 437 R CA -0.564 55.613 56.100 0.128 0.000 0.851 437 R CB 1.389 31.747 30.300 0.097 0.000 1.161 437 R HN 0.618 nan 8.270 nan 0.000 0.446 438 V N 4.971 124.893 119.914 0.014 0.000 2.513 438 V HA 0.485 4.605 4.120 -0.001 0.000 0.299 438 V C -0.380 175.763 176.094 0.082 0.000 1.035 438 V CA -0.701 61.624 62.300 0.041 0.000 0.889 438 V CB 1.917 33.625 31.823 -0.191 0.000 0.988 438 V HN 0.508 nan 8.190 nan 0.000 0.440 439 V N 5.053 125.016 119.914 0.081 0.000 2.680 439 V HA 0.560 4.680 4.120 -0.001 0.000 0.309 439 V C -0.728 175.361 176.094 -0.009 0.000 1.052 439 V CA -0.599 61.726 62.300 0.041 0.000 0.908 439 V CB 2.211 34.041 31.823 0.013 0.000 1.001 439 V HN 0.599 nan 8.190 nan 0.000 0.431 440 I N 3.404 123.971 120.570 -0.006 0.000 2.495 440 I HA 0.426 4.596 4.170 -0.001 0.000 0.277 440 I C -0.102 175.932 176.117 -0.138 0.000 1.045 440 I CA -0.364 60.887 61.300 -0.081 0.000 1.135 440 I CB 1.199 39.190 38.000 -0.015 0.000 1.241 440 I HN 0.700 nan 8.210 nan 0.000 0.469 441 Q N 3.563 123.263 119.800 -0.166 0.000 2.241 441 Q HA 0.263 4.603 4.340 -0.001 0.000 0.254 441 Q C -0.656 175.265 176.000 -0.131 0.000 0.917 441 Q CA -0.688 55.031 55.803 -0.139 0.000 0.919 441 Q CB 2.009 30.673 28.738 -0.123 0.000 1.237 441 Q HN 0.351 nan 8.270 nan 0.000 0.434 442 D N 2.152 122.493 120.400 -0.099 0.000 2.338 442 D HA -0.026 4.614 4.640 -0.001 0.000 0.255 442 D C -0.111 176.203 176.300 0.024 0.000 1.237 442 D CA 0.446 54.411 54.000 -0.059 0.000 0.883 442 D CB 0.670 41.443 40.800 -0.045 0.000 1.087 442 D HN 0.591 nan 8.370 nan 0.000 0.485 443 Y N 2.366 122.637 120.300 -0.048 0.000 2.464 443 Y HA 0.053 4.603 4.550 -0.001 0.000 0.288 443 Y C 0.211 176.104 175.900 -0.012 0.000 1.133 443 Y CA 0.317 58.410 58.100 -0.011 0.000 1.223 443 Y CB 0.809 39.286 38.460 0.029 0.000 1.187 443 Y HN 0.159 nan 8.280 nan 0.000 0.539 444 D N 1.225 121.582 120.400 -0.073 0.000 2.404 444 D HA 0.108 4.748 4.640 -0.001 0.000 0.267 444 D C -1.430 174.881 176.300 0.017 0.000 1.194 444 D CA -0.297 53.626 54.000 -0.128 0.000 0.910 444 D CB -0.150 40.635 40.800 -0.025 0.000 1.090 444 D HN 0.136 nan 8.370 nan 0.000 0.511 445 N N 2.224 120.918 118.700 -0.010 0.000 2.447 445 N HA -0.046 4.694 4.740 -0.001 0.000 0.263 445 N C 0.056 175.613 175.510 0.078 0.000 1.226 445 N CA 0.457 53.547 53.050 0.067 0.000 0.906 445 N CB 1.038 39.538 38.487 0.022 0.000 1.060 445 N HN 0.373 nan 8.380 nan 0.000 0.468 446 Q N 1.725 121.611 119.800 0.144 0.000 2.055 446 Q HA 0.137 4.477 4.340 -0.001 0.000 0.226 446 Q C -0.335 175.716 176.000 0.085 0.000 0.805 446 Q CA -0.420 55.429 55.803 0.078 0.000 1.072 446 Q CB -0.279 28.478 28.738 0.031 0.000 1.219 446 Q HN 0.609 nan 8.270 nan 0.000 0.451 447 H N 0.403 119.511 119.070 0.062 0.000 2.889 447 H HA -0.024 4.531 4.556 -0.001 0.000 0.383 447 H C 0.602 175.949 175.328 0.031 0.000 1.433 447 H CA 1.434 57.518 56.048 0.061 0.000 1.461 447 H CB 1.013 30.828 29.762 0.087 0.000 1.475 447 H HN 0.321 nan 8.280 nan 0.000 0.611 448 E N 0.172 120.491 120.200 0.198 0.000 2.008 448 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 448 E C 1.936 178.660 176.600 0.207 0.000 0.986 448 E CA 1.205 57.706 56.400 0.168 0.000 0.807 448 E CB 0.036 29.803 29.700 0.112 0.000 0.766 448 E HN 0.652 nan 8.360 nan 0.000 0.450 449 Q N 0.369 120.343 119.800 0.290 0.000 2.392 449 Q HA 0.032 4.371 4.340 -0.001 0.000 0.203 449 Q C 0.898 176.919 176.000 0.035 0.000 0.917 449 Q CA 0.311 56.179 55.803 0.108 0.000 0.939 449 Q CB 0.348 29.126 28.738 0.066 0.000 1.063 449 Q HN 0.122 nan 8.270 nan 0.000 0.516 450 D N 1.728 122.156 120.400 0.047 0.000 2.312 450 D HA -0.053 4.587 4.640 -0.001 0.000 0.211 450 D C 0.284 176.583 176.300 -0.002 0.000 0.964 450 D CA 0.700 54.691 54.000 -0.016 0.000 0.877 450 D CB 0.268 41.064 40.800 -0.007 0.000 0.924 450 D HN 0.138 nan 8.370 nan 0.000 0.515 451 R N 1.543 122.056 120.500 0.021 0.000 2.402 451 R HA 0.220 4.559 4.340 -0.001 0.000 0.290 451 R C -2.315 173.983 176.300 -0.004 0.000 1.321 451 R CA -1.184 54.915 56.100 -0.002 0.000 1.283 451 R CB 1.357 31.658 30.300 0.001 0.000 1.111 451 R HN -0.063 nan 8.270 nan 0.000 0.578 452 P HA 0.218 nan 4.420 nan 0.000 0.297 452 P C -0.712 176.574 177.300 -0.023 0.000 1.303 452 P CA -0.338 62.752 63.100 -0.016 0.000 0.753 452 P CB 0.639 32.326 31.700 -0.022 0.000 1.281 453 T N 0.598 115.138 114.554 -0.024 0.000 2.909 453 T HA 0.377 4.726 4.350 -0.001 0.000 0.286 453 T C -2.141 172.538 174.700 -0.035 0.000 1.002 453 T CA -0.856 61.227 62.100 -0.029 0.000 1.074 453 T CB -0.228 68.624 68.868 -0.026 0.000 0.984 453 T HN 0.315 nan 8.240 nan 0.000 0.495 454 P HA 0.154 nan 4.420 nan 0.000 0.266 454 P C 0.720 177.993 177.300 -0.045 0.000 1.195 454 P CA 0.012 63.084 63.100 -0.048 0.000 0.768 454 P CB 0.415 32.083 31.700 -0.053 0.000 0.838 455 S N 3.805 119.477 115.700 -0.047 0.000 2.368 455 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 455 S C -0.235 174.341 174.600 -0.039 0.000 1.044 455 S CA 1.936 60.111 58.200 -0.042 0.000 1.062 455 S CB -1.751 61.422 63.200 -0.044 0.000 0.931 455 S HN 0.662 nan 8.310 nan 0.000 0.440 456 P HA 0.123 nan 4.420 nan 0.000 0.215 456 P C 0.409 177.687 177.300 -0.035 0.000 1.157 456 P CA 0.905 63.982 63.100 -0.039 0.000 0.859 456 P CB -0.292 31.382 31.700 -0.043 0.000 0.786 457 A N 2.732 125.529 122.820 -0.037 0.000 2.561 457 A HA 0.190 4.509 4.320 -0.001 0.000 0.234 457 A C -1.709 175.856 177.584 -0.032 0.000 1.055 457 A CA -0.689 51.327 52.037 -0.034 0.000 0.756 457 A CB -1.283 17.696 19.000 -0.035 0.000 0.986 457 A HN 0.240 nan 8.150 nan 0.000 0.505 458 P HA 0.096 nan 4.420 nan 0.000 0.267 458 P C 0.303 177.585 177.300 -0.029 0.000 1.205 458 P CA 0.067 63.150 63.100 -0.029 0.000 0.765 458 P CB 0.499 32.182 31.700 -0.029 0.000 0.828 459 S N 3.611 119.295 115.700 -0.028 0.000 2.658 459 S HA 0.026 4.496 4.470 -0.001 0.000 0.249 459 S C 0.565 175.150 174.600 -0.025 0.000 1.363 459 S CA -0.546 57.639 58.200 -0.025 0.000 0.964 459 S CB 0.271 63.456 63.200 -0.024 0.000 0.973 459 S HN 0.532 nan 8.310 nan 0.000 0.588 460 R N 2.407 122.894 120.500 -0.023 0.000 2.272 460 R HA 0.216 4.555 4.340 -0.001 0.000 0.334 460 R C -2.001 174.287 176.300 -0.020 0.000 1.117 460 R CA -1.795 54.289 56.100 -0.027 0.000 0.966 460 R CB -0.105 30.178 30.300 -0.027 0.000 1.049 460 R HN 0.544 nan 8.270 nan 0.000 0.477 461 P HA -0.159 nan 4.420 nan 0.000 0.271 461 P C 0.247 177.552 177.300 0.008 0.000 1.233 461 P CA -0.021 63.072 63.100 -0.011 0.000 0.795 461 P CB 0.456 32.133 31.700 -0.038 0.000 0.936 462 F N 1.285 121.162 119.950 -0.122 0.000 2.128 462 F HA -0.121 4.406 4.527 -0.001 0.000 0.295 462 F C 2.375 178.076 175.800 -0.166 0.000 1.100 462 F CA 1.751 59.667 58.000 -0.141 0.000 1.260 462 F CB -0.981 37.917 39.000 -0.171 0.000 1.009 462 F HN 0.194 nan 8.300 nan 0.000 0.476 463 S N -0.174 115.359 115.700 -0.278 0.000 2.461 463 S HA -0.124 4.346 4.470 -0.001 0.000 0.246 463 S C 0.792 175.174 174.600 -0.363 0.000 1.007 463 S CA 0.724 58.691 58.200 -0.387 0.000 0.976 463 S CB -0.719 62.338 63.200 -0.237 0.000 0.763 463 S HN 0.045 nan 8.310 nan 0.000 0.508 464 V N 2.908 122.649 119.914 -0.287 0.000 2.408 464 V HA 0.346 4.466 4.120 -0.001 0.000 0.267 464 V C -0.158 175.783 176.094 -0.256 0.000 1.047 464 V CA -0.062 62.107 62.300 -0.219 0.000 0.937 464 V CB 0.517 32.258 31.823 -0.137 0.000 0.999 464 V HN 0.241 nan 8.190 nan 0.000 0.472 465 L N 6.153 127.236 121.223 -0.232 0.000 2.354 465 L HA 0.775 5.115 4.340 -0.001 0.000 0.264 465 L C -0.009 176.787 176.870 -0.122 0.000 1.008 465 L CA -0.739 53.979 54.840 -0.202 0.000 0.819 465 L CB 2.378 44.294 42.059 -0.238 0.000 1.339 465 L HN 0.531 nan 8.230 nan 0.000 0.420 466 R N 0.172 120.621 120.500 -0.084 0.000 2.810 466 R HA 0.751 5.090 4.340 -0.001 0.000 0.266 466 R C -1.021 175.263 176.300 -0.026 0.000 1.061 466 R CA -1.058 55.014 56.100 -0.048 0.000 0.943 466 R CB 1.685 31.963 30.300 -0.037 0.000 1.237 466 R HN 0.691 nan 8.270 nan 0.000 0.459 467 A N 1.214 124.029 122.820 -0.008 0.000 2.466 467 A HA 0.130 4.450 4.320 -0.001 0.000 0.238 467 A C 0.242 177.828 177.584 0.003 0.000 1.074 467 A CA 0.157 52.196 52.037 0.004 0.000 0.774 467 A CB -0.116 18.890 19.000 0.010 0.000 1.015 467 A HN 0.926 nan 8.150 nan 0.000 0.498 468 N N -0.549 118.157 118.700 0.011 0.000 2.863 468 N HA -0.148 4.591 4.740 -0.001 0.000 0.245 468 N C -0.731 174.788 175.510 0.015 0.000 1.001 468 N CA 1.414 54.473 53.050 0.015 0.000 0.901 468 N CB -1.100 37.395 38.487 0.013 0.000 1.124 468 N HN 0.768 nan 8.380 nan 0.000 0.582 469 D N 1.314 121.718 120.400 0.008 0.000 2.339 469 D HA 0.261 4.900 4.640 -0.001 0.000 0.256 469 D C 0.036 176.353 176.300 0.027 0.000 1.214 469 D CA -0.029 53.976 54.000 0.008 0.000 0.877 469 D CB 0.960 41.749 40.800 -0.020 0.000 1.111 469 D HN -0.073 nan 8.370 nan 0.000 0.478 470 V N 4.745 124.685 119.914 0.044 0.000 2.555 470 V HA 0.215 4.334 4.120 -0.001 0.000 0.286 470 V C 0.582 176.734 176.094 0.097 0.000 1.044 470 V CA -0.355 61.984 62.300 0.065 0.000 1.026 470 V CB 0.846 32.712 31.823 0.071 0.000 0.981 470 V HN 0.346 nan 8.190 nan 0.000 0.480 471 L N 4.781 126.067 121.223 0.106 0.000 2.356 471 L HA 0.482 4.821 4.340 -0.001 0.000 0.277 471 L C -0.757 176.212 176.870 0.165 0.000 0.996 471 L CA -0.238 54.696 54.840 0.157 0.000 0.822 471 L CB 1.901 44.051 42.059 0.152 0.000 1.256 471 L HN 0.714 nan 8.230 nan 0.000 0.413 472 W N 6.700 127.985 121.300 -0.025 0.000 2.294 472 W HA 0.524 5.183 4.660 -0.001 0.000 0.314 472 W C -1.766 174.702 176.519 -0.085 0.000 1.044 472 W CA -0.730 56.559 57.345 -0.093 0.000 1.284 472 W CB 1.024 30.411 29.460 -0.122 0.000 1.231 472 W HN 0.324 nan 8.180 nan 0.000 0.419 473 L N 5.067 126.255 121.223 -0.057 0.000 2.331 473 L HA 0.548 4.888 4.340 -0.001 0.000 0.275 473 L C 0.322 177.139 176.870 -0.088 0.000 1.022 473 L CA -0.795 54.038 54.840 -0.011 0.000 0.812 473 L CB 1.635 43.677 42.059 -0.029 0.000 1.257 473 L HN 0.170 nan 8.230 nan 0.000 0.435 474 S N 3.338 119.059 115.700 0.035 0.000 2.746 474 S HA 0.477 4.946 4.470 -0.001 0.000 0.273 474 S C -0.389 174.251 174.600 0.067 0.000 1.172 474 S CA -0.592 57.635 58.200 0.045 0.000 1.116 474 S CB 0.755 64.036 63.200 0.136 0.000 1.057 474 S HN 0.388 nan 8.310 nan 0.000 0.483 475 L N 3.097 124.367 121.223 0.077 0.000 2.385 475 L HA 0.231 4.570 4.340 -0.001 0.000 0.281 475 L C 1.630 178.577 176.870 0.128 0.000 1.106 475 L CA -0.427 54.489 54.840 0.128 0.000 0.856 475 L CB -0.164 42.013 42.059 0.197 0.000 1.186 475 L HN 0.543 nan 8.230 nan 0.000 0.453 476 T N 2.506 117.117 114.554 0.095 0.000 2.486 476 T HA -0.238 4.112 4.350 -0.001 0.000 0.257 476 T C 0.990 175.714 174.700 0.040 0.000 1.175 476 T CA 1.978 64.117 62.100 0.065 0.000 1.207 476 T CB -0.056 68.842 68.868 0.051 0.000 0.864 476 T HN 0.799 nan 8.240 nan 0.000 0.405 477 A N -0.082 122.749 122.820 0.018 0.000 3.241 477 A HA 0.683 5.002 4.320 -0.001 0.000 0.198 477 A C 0.006 177.542 177.584 -0.079 0.000 1.003 477 A CA -0.092 51.904 52.037 -0.069 0.000 1.134 477 A CB -0.095 18.873 19.000 -0.053 0.000 1.289 477 A HN 0.643 nan 8.150 nan 0.000 0.623 478 A N 0.323 123.143 122.820 -0.000 0.000 2.340 478 A HA 0.604 4.924 4.320 -0.001 0.000 0.268 478 A C 0.247 177.853 177.584 0.038 0.000 1.100 478 A CA -0.377 51.698 52.037 0.064 0.000 0.803 478 A CB 0.006 19.105 19.000 0.166 0.000 1.043 478 A HN 0.584 nan 8.150 nan 0.000 0.488 479 E N 0.926 121.173 120.200 0.079 0.000 2.694 479 E HA -0.099 4.250 4.350 -0.001 0.000 0.250 479 E C -0.875 175.951 176.600 0.378 0.000 0.963 479 E CA 0.959 57.431 56.400 0.119 0.000 0.949 479 E CB -0.049 29.714 29.700 0.104 0.000 0.911 479 E HN 0.651 nan 8.360 nan 0.000 0.500 480 Y N 2.445 122.862 120.300 0.195 0.000 2.775 480 Y HA -0.031 4.518 4.550 -0.001 0.000 0.349 480 Y C 1.362 177.372 175.900 0.183 0.000 1.094 480 Y CA -0.909 57.404 58.100 0.355 0.000 1.467 480 Y CB 0.234 39.007 38.460 0.522 0.000 1.272 480 Y HN 0.653 nan 8.280 nan 0.000 0.515 481 D N 0.858 121.409 120.400 0.253 0.000 2.116 481 D HA -0.232 4.407 4.640 -0.001 0.000 0.193 481 D C 0.596 176.929 176.300 0.055 0.000 0.998 481 D CA 1.814 55.888 54.000 0.124 0.000 0.836 481 D CB 0.197 41.054 40.800 0.095 0.000 0.951 481 D HN 0.512 nan 8.370 nan 0.000 0.449 482 Q N -1.405 118.404 119.800 0.016 0.000 2.501 482 Q HA -0.154 4.185 4.340 -0.001 0.000 0.275 482 Q C 0.786 176.803 176.000 0.029 0.000 1.074 482 Q CA 0.638 56.411 55.803 -0.050 0.000 0.974 482 Q CB -2.270 26.411 28.738 -0.095 0.000 1.307 482 Q HN 0.287 nan 8.270 nan 0.000 0.513 483 S N -2.476 113.252 115.700 0.048 0.000 2.603 483 S HA 0.033 4.502 4.470 -0.001 0.000 0.220 483 S C 1.094 175.767 174.600 0.122 0.000 0.967 483 S CA 0.843 59.082 58.200 0.064 0.000 0.920 483 S CB 0.364 63.597 63.200 0.055 0.000 0.773 483 S HN 0.317 nan 8.310 nan 0.000 0.529 484 T N 1.041 115.683 114.554 0.146 0.000 3.134 484 T HA 0.252 4.601 4.350 -0.001 0.000 0.260 484 T C 0.478 175.369 174.700 0.318 0.000 1.027 484 T CA -0.416 61.845 62.100 0.269 0.000 0.913 484 T CB -0.234 68.638 68.868 0.007 0.000 1.046 484 T HN 0.592 nan 8.240 nan 0.000 0.553 485 Y N 2.162 122.498 120.300 0.061 0.000 2.228 485 Y HA 0.247 4.796 4.550 -0.001 0.000 0.267 485 Y C 2.293 178.213 175.900 0.034 0.000 1.072 485 Y CA 1.737 59.837 58.100 0.001 0.000 1.068 485 Y CB -0.692 37.736 38.460 -0.054 0.000 1.015 485 Y HN 0.293 nan 8.280 nan 0.000 0.474 486 G N 0.470 109.540 108.800 0.449 0.000 3.773 486 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.355 486 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.355 486 G C 1.265 176.291 174.900 0.210 0.000 1.323 486 G CA 1.219 46.454 45.100 0.225 0.000 1.103 486 G HN 0.586 nan 8.290 nan 0.000 0.716 487 S N 0.137 115.866 115.700 0.048 0.000 2.336 487 S HA 0.074 4.543 4.470 -0.001 0.000 0.426 487 S C 2.385 176.951 174.600 -0.057 0.000 1.371 487 S CA 3.126 61.319 58.200 -0.013 0.000 2.563 487 S CB -0.504 62.685 63.200 -0.019 0.000 0.883 487 S HN 1.740 nan 8.310 nan 0.000 0.347 488 S N -2.051 113.578 115.700 -0.118 0.000 2.619 488 S HA 0.232 4.702 4.470 -0.001 0.000 0.238 488 S C 1.158 175.665 174.600 -0.156 0.000 1.068 488 S CA 0.178 58.314 58.200 -0.108 0.000 0.926 488 S CB 0.405 63.597 63.200 -0.014 0.000 0.864 488 S HN 0.439 nan 8.310 nan 0.000 0.493 489 T N 1.304 115.711 114.554 -0.245 0.000 2.986 489 T HA 0.360 4.710 4.350 -0.001 0.000 0.264 489 T C 0.685 174.987 174.700 -0.664 0.000 0.964 489 T CA 0.277 62.139 62.100 -0.398 0.000 0.895 489 T CB 0.551 69.293 68.868 -0.209 0.000 1.163 489 T HN 0.493 nan 8.240 nan 0.000 0.517 490 G N 3.764 112.268 108.800 -0.494 0.000 2.391 490 G HA2 0.471 4.430 3.960 -0.001 0.000 0.305 490 G HA3 0.471 4.430 3.960 -0.001 0.000 0.305 490 G C -2.221 172.405 174.900 -0.456 0.000 1.072 490 G CA -1.003 43.850 45.100 -0.413 0.000 1.016 490 G HN 0.113 nan 8.290 nan 0.000 0.418 491 P HA 0.132 nan 4.420 nan 0.000 0.343 491 P C 0.276 177.298 177.300 -0.464 0.000 1.560 491 P CA -0.348 62.596 63.100 -0.260 0.000 1.480 491 P CB 0.809 32.355 31.700 -0.255 0.000 1.671 492 V N 1.251 120.987 119.914 -0.296 0.000 2.923 492 V HA -0.195 3.924 4.120 -0.001 0.000 0.286 492 V C 0.181 176.094 176.094 -0.302 0.000 1.376 492 V CA 1.251 63.422 62.300 -0.216 0.000 1.423 492 V CB -1.233 30.497 31.823 -0.156 0.000 0.865 492 V HN 0.201 nan 8.190 nan 0.000 0.514 493 Y N 2.970 123.236 120.300 -0.056 0.000 2.334 493 Y HA 0.523 5.072 4.550 -0.001 0.000 0.336 493 Y C 0.263 176.162 175.900 -0.001 0.000 0.960 493 Y CA -0.778 57.257 58.100 -0.110 0.000 1.164 493 Y CB 1.645 39.758 38.460 -0.579 0.000 1.155 493 Y HN 0.417 nan 8.280 nan 0.000 0.478 494 V N 3.191 123.253 119.914 0.246 0.000 2.834 494 V HA 0.385 4.504 4.120 -0.001 0.000 0.301 494 V C -0.011 176.246 176.094 0.272 0.000 1.066 494 V CA -0.459 61.965 62.300 0.205 0.000 1.052 494 V CB 1.519 33.442 31.823 0.166 0.000 1.021 494 V HN 0.838 nan 8.190 nan 0.000 0.480 495 S N 1.304 117.122 115.700 0.197 0.000 2.532 495 S HA 0.380 4.849 4.470 -0.001 0.000 0.299 495 S C 0.169 174.853 174.600 0.139 0.000 1.105 495 S CA -0.731 57.585 58.200 0.194 0.000 1.018 495 S CB 1.807 65.109 63.200 0.171 0.000 1.021 495 S HN 0.710 nan 8.310 nan 0.000 0.483 496 D N 2.539 123.012 120.400 0.121 0.000 2.083 496 D HA -0.047 4.593 4.640 -0.001 0.000 0.199 496 D C 0.886 177.244 176.300 0.098 0.000 0.980 496 D CA 1.607 55.663 54.000 0.092 0.000 0.851 496 D CB -0.013 40.829 40.800 0.071 0.000 0.997 496 D HN 0.753 nan 8.370 nan 0.000 0.449 497 S N -0.569 115.186 115.700 0.092 0.000 2.578 497 S HA 0.658 5.127 4.470 -0.001 0.000 0.301 497 S C -0.454 174.204 174.600 0.097 0.000 1.091 497 S CA -0.813 57.443 58.200 0.093 0.000 1.032 497 S CB 2.623 65.865 63.200 0.069 0.000 1.064 497 S HN 0.005 nan 8.310 nan 0.000 0.508 498 V N 0.878 120.851 119.914 0.100 0.000 2.888 498 V HA 0.484 4.603 4.120 -0.001 0.000 0.309 498 V C -0.393 175.735 176.094 0.056 0.000 1.114 498 V CA -0.732 61.624 62.300 0.093 0.000 0.940 498 V CB 2.237 34.135 31.823 0.125 0.000 1.021 498 V HN 1.010 nan 8.190 nan 0.000 0.426 499 T N 5.777 120.358 114.554 0.044 0.000 2.738 499 T HA 0.594 4.943 4.350 -0.001 0.000 0.298 499 T C -0.375 174.326 174.700 0.001 0.000 0.962 499 T CA -0.049 62.053 62.100 0.003 0.000 0.972 499 T CB -0.079 68.815 68.868 0.042 0.000 0.928 499 T HN 0.378 nan 8.240 nan 0.000 0.474 500 L N 4.561 125.705 121.223 -0.133 0.000 2.298 500 L HA 0.709 5.049 4.340 -0.001 0.000 0.284 500 L C -0.530 176.096 176.870 -0.407 0.000 1.013 500 L CA -1.032 53.716 54.840 -0.154 0.000 0.824 500 L CB 1.385 43.383 42.059 -0.103 0.000 1.221 500 L HN 0.297 nan 8.230 nan 0.000 0.418 501 V N 1.551 121.417 119.914 -0.080 0.000 2.735 501 V HA 0.305 4.425 4.120 -0.001 0.000 0.310 501 V C -0.264 175.925 176.094 0.158 0.000 1.061 501 V CA -0.770 61.487 62.300 -0.072 0.000 0.913 501 V CB 2.195 33.963 31.823 -0.093 0.000 1.005 501 V HN 0.802 nan 8.190 nan 0.000 0.428 502 N N 2.190 121.002 118.700 0.188 0.000 2.645 502 N HA 0.207 4.947 4.740 -0.001 0.000 0.233 502 N C 0.927 176.482 175.510 0.074 0.000 1.058 502 N CA -0.413 52.750 53.050 0.189 0.000 0.942 502 N CB 1.369 39.984 38.487 0.212 0.000 1.210 502 N HN 0.534 nan 8.380 nan 0.000 0.512 503 V N 2.986 122.939 119.914 0.066 0.000 2.613 503 V HA -0.305 3.814 4.120 -0.001 0.000 0.259 503 V C 2.098 178.191 176.094 -0.001 0.000 1.099 503 V CA 2.291 64.600 62.300 0.016 0.000 1.115 503 V CB -1.002 30.854 31.823 0.054 0.000 0.686 503 V HN 0.790 nan 8.190 nan 0.000 0.481 504 A N -1.013 121.816 122.820 0.016 0.000 2.014 504 A HA 0.022 4.342 4.320 -0.001 0.000 0.210 504 A C 2.239 179.822 177.584 -0.002 0.000 1.188 504 A CA 1.389 53.430 52.037 0.006 0.000 0.731 504 A CB -0.148 18.860 19.000 0.013 0.000 0.858 504 A HN 0.471 nan 8.150 nan 0.000 0.464 505 T N -1.511 113.048 114.554 0.007 0.000 3.015 505 T HA 0.372 4.722 4.350 -0.001 0.000 0.250 505 T C 1.296 175.990 174.700 -0.010 0.000 1.057 505 T CA 0.799 62.900 62.100 0.002 0.000 1.066 505 T CB 0.378 69.257 68.868 0.017 0.000 0.959 505 T HN 1.357 nan 8.240 nan 0.000 0.488 506 G N 2.100 110.891 108.800 -0.016 0.000 2.160 506 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.244 506 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.244 506 G C 0.209 175.081 174.900 -0.046 0.000 1.022 506 G CA -0.116 44.952 45.100 -0.053 0.000 0.741 506 G HN 0.884 nan 8.290 nan 0.000 0.508 507 A N 0.368 123.199 122.820 0.018 0.000 2.476 507 A HA 0.555 4.874 4.320 -0.001 0.000 0.275 507 A C 0.815 178.307 177.584 -0.153 0.000 1.133 507 A CA 0.234 52.301 52.037 0.049 0.000 0.797 507 A CB 0.281 19.450 19.000 0.282 0.000 1.081 507 A HN 0.429 nan 8.150 nan 0.000 0.510 508 Q N 0.395 120.069 119.800 -0.211 0.000 2.306 508 Q HA 0.642 4.981 4.340 -0.001 0.000 0.241 508 Q C -0.206 175.494 176.000 -0.499 0.000 0.948 508 Q CA 0.368 55.969 55.803 -0.337 0.000 0.886 508 Q CB 1.725 30.341 28.738 -0.203 0.000 1.227 508 Q HN 1.074 nan 8.270 nan 0.000 0.457 509 A N 0.942 123.422 122.820 -0.567 0.000 2.560 509 A HA 0.445 4.765 4.320 -0.001 0.000 0.300 509 A C -1.241 176.145 177.584 -0.331 0.000 1.062 509 A CA -0.648 51.073 52.037 -0.527 0.000 0.767 509 A CB 0.871 19.315 19.000 -0.926 0.000 1.288 509 A HN 0.312 nan 8.150 nan 0.000 0.396 510 V N 2.364 122.163 119.914 -0.191 0.000 2.481 510 V HA 0.524 4.643 4.120 -0.001 0.000 0.286 510 V C 1.659 177.757 176.094 0.006 0.000 1.042 510 V CA 0.267 62.523 62.300 -0.073 0.000 0.928 510 V CB 1.053 32.853 31.823 -0.038 0.000 0.986 510 V HN 1.589 nan 8.190 nan 0.000 0.462 511 A N 4.720 127.612 122.820 0.120 0.000 1.927 511 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 511 A C 2.246 180.045 177.584 0.358 0.000 1.185 511 A CA 1.967 54.197 52.037 0.321 0.000 0.639 511 A CB -0.393 18.770 19.000 0.271 0.000 0.820 511 A HN 0.881 nan 8.150 nan 0.000 0.451 512 R N -0.593 120.042 120.500 0.226 0.000 2.055 512 R HA -0.033 4.306 4.340 -0.001 0.000 0.228 512 R C 2.635 179.028 176.300 0.155 0.000 1.143 512 R CA 1.404 57.653 56.100 0.249 0.000 0.945 512 R CB -0.596 29.807 30.300 0.172 0.000 0.841 512 R HN 0.505 nan 8.270 nan 0.000 0.429 513 S N 1.676 117.411 115.700 0.058 0.000 2.392 513 S HA -0.175 4.295 4.470 -0.001 0.000 0.225 513 S C 0.887 175.434 174.600 -0.088 0.000 1.041 513 S CA 0.689 58.884 58.200 -0.009 0.000 1.100 513 S CB -0.621 62.554 63.200 -0.042 0.000 1.029 513 S HN 0.194 nan 8.310 nan 0.000 0.424 514 L N 3.570 124.668 121.223 -0.208 0.000 2.769 514 L HA -0.104 4.235 4.340 -0.001 0.000 0.293 514 L C 0.150 176.787 176.870 -0.389 0.000 1.224 514 L CA 0.690 55.285 54.840 -0.409 0.000 0.906 514 L CB -0.094 41.485 42.059 -0.801 0.000 1.193 514 L HN 0.183 nan 8.230 nan 0.000 0.488 515 D N 4.933 125.196 120.400 -0.228 0.000 2.631 515 D HA -0.010 4.629 4.640 -0.001 0.000 0.227 515 D C 0.466 176.756 176.300 -0.017 0.000 1.146 515 D CA -0.267 53.710 54.000 -0.040 0.000 1.009 515 D CB 0.036 40.838 40.800 0.003 0.000 1.057 515 D HN 0.684 nan 8.370 nan 0.000 0.509 516 W N 1.341 122.554 121.300 -0.144 0.000 2.337 516 W HA -0.228 4.432 4.660 -0.001 0.000 0.272 516 W C 2.228 178.653 176.519 -0.157 0.000 1.203 516 W CA 0.629 57.830 57.345 -0.240 0.000 1.165 516 W CB -1.189 28.023 29.460 -0.413 0.000 1.133 516 W HN 0.274 nan 8.180 nan 0.000 0.571 517 T N 0.419 115.129 114.554 0.260 0.000 2.649 517 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 517 T C 0.893 175.652 174.700 0.099 0.000 1.036 517 T CA 1.761 63.999 62.100 0.230 0.000 1.157 517 T CB -0.292 68.670 68.868 0.157 0.000 0.861 517 T HN 0.196 nan 8.240 nan 0.000 0.445 518 K N 1.654 122.065 120.400 0.017 0.000 2.385 518 K HA 0.455 4.774 4.320 -0.001 0.000 0.229 518 K C -1.344 175.186 176.600 -0.116 0.000 1.089 518 K CA -0.175 56.088 56.287 -0.041 0.000 1.060 518 K CB 1.370 33.849 32.500 -0.036 0.000 1.698 518 K HN 0.030 nan 8.250 nan 0.000 0.469 519 V N 2.221 122.046 119.914 -0.148 0.000 2.320 519 V HA 0.063 4.183 4.120 -0.001 0.000 0.268 519 V C 0.017 175.990 176.094 -0.202 0.000 1.021 519 V CA -0.689 61.476 62.300 -0.224 0.000 0.813 519 V CB 1.173 32.833 31.823 -0.272 0.000 1.054 519 V HN 0.549 nan 8.190 nan 0.000 0.444 520 T N 5.920 120.365 114.554 -0.180 0.000 2.793 520 T HA 0.231 4.581 4.350 -0.001 0.000 0.289 520 T C -0.250 174.341 174.700 -0.180 0.000 0.956 520 T CA 0.500 62.504 62.100 -0.160 0.000 1.177 520 T CB 0.208 69.001 68.868 -0.125 0.000 0.897 520 T HN 0.346 nan 8.240 nan 0.000 0.533 521 L N 4.880 125.990 121.223 -0.188 0.000 2.316 521 L HA 0.450 4.789 4.340 -0.001 0.000 0.280 521 L C 0.097 176.891 176.870 -0.127 0.000 1.006 521 L CA -0.054 54.685 54.840 -0.168 0.000 0.836 521 L CB 0.835 42.787 42.059 -0.179 0.000 1.221 521 L HN 0.576 nan 8.230 nan 0.000 0.418 522 D N 4.310 124.663 120.400 -0.079 0.000 2.837 522 D HA -0.166 4.473 4.640 -0.001 0.000 0.230 522 D C 1.091 177.370 176.300 -0.035 0.000 1.152 522 D CA 1.889 55.867 54.000 -0.035 0.000 0.736 522 D CB -1.027 39.780 40.800 0.012 0.000 1.084 522 D HN 1.316 nan 8.370 nan 0.000 0.429 523 G N -1.039 107.724 108.800 -0.061 0.000 2.143 523 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.249 523 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.249 523 G C 0.406 175.275 174.900 -0.053 0.000 0.981 523 G CA 0.543 45.613 45.100 -0.049 0.000 0.665 523 G HN 0.591 nan 8.290 nan 0.000 0.528 524 R N -0.014 120.427 120.500 -0.098 0.000 2.888 524 R HA 0.575 4.915 4.340 -0.001 0.000 0.264 524 R C -2.647 173.541 176.300 -0.186 0.000 1.045 524 R CA -1.878 54.155 56.100 -0.111 0.000 0.962 524 R CB 2.329 32.584 30.300 -0.076 0.000 1.210 524 R HN 0.086 nan 8.270 nan 0.000 0.479 525 P HA 0.105 nan 4.420 nan 0.000 0.275 525 P C -0.419 176.790 177.300 -0.152 0.000 1.228 525 P CA -0.194 62.854 63.100 -0.086 0.000 0.786 525 P CB 0.667 32.376 31.700 0.014 0.000 0.927 526 L N 1.613 122.785 121.223 -0.085 0.000 2.514 526 L HA 0.021 4.360 4.340 -0.001 0.000 0.280 526 L C 1.271 178.253 176.870 0.186 0.000 1.223 526 L CA 0.108 54.936 54.840 -0.020 0.000 0.864 526 L CB -0.295 41.739 42.059 -0.041 0.000 1.118 526 L HN 0.461 nan 8.230 nan 0.000 0.494 527 S N 1.058 116.925 115.700 0.278 0.000 2.576 527 S HA 0.285 4.755 4.470 -0.001 0.000 0.276 527 S C 0.014 174.763 174.600 0.248 0.000 1.339 527 S CA -0.890 57.507 58.200 0.328 0.000 1.039 527 S CB 1.135 64.566 63.200 0.385 0.000 0.902 527 S HN 0.574 nan 8.310 nan 0.000 0.516 528 T N 2.753 117.404 114.554 0.162 0.000 2.824 528 T HA 0.629 4.979 4.350 -0.001 0.000 0.280 528 T C -0.328 174.407 174.700 0.058 0.000 0.995 528 T CA -0.444 61.705 62.100 0.081 0.000 1.009 528 T CB 0.153 69.031 68.868 0.017 0.000 0.955 528 T HN 0.586 nan 8.240 nan 0.000 0.452 529 I N 2.670 123.269 120.570 0.048 0.000 2.656 529 I HA 0.312 4.481 4.170 -0.001 0.000 0.292 529 I C -0.675 175.466 176.117 0.040 0.000 1.144 529 I CA -0.864 60.459 61.300 0.038 0.000 1.038 529 I CB 2.627 40.647 38.000 0.033 0.000 1.244 529 I HN 0.434 nan 8.210 nan 0.000 0.420 530 Q N 5.119 124.935 119.800 0.026 0.000 2.322 530 Q HA 0.488 4.828 4.340 -0.001 0.000 0.265 530 Q C -0.554 175.452 176.000 0.010 0.000 0.985 530 Q CA -0.406 55.417 55.803 0.033 0.000 0.849 530 Q CB 3.135 31.893 28.738 0.032 0.000 1.274 530 Q HN 0.581 nan 8.270 nan 0.000 0.449 531 Q N 0.820 120.610 119.800 -0.017 0.000 1.915 531 Q HA 0.176 4.515 4.340 -0.001 0.000 0.153 531 Q C -0.274 175.818 176.000 0.153 0.000 0.480 531 Q CA -0.238 55.595 55.803 0.051 0.000 0.723 531 Q CB 0.692 29.440 28.738 0.016 0.000 0.940 531 Q HN 0.617 nan 8.270 nan 0.000 0.357 532 Y N 2.064 122.223 120.300 -0.235 0.000 2.734 532 Y HA 0.040 4.590 4.550 -0.001 0.000 0.353 532 Y C 0.176 176.013 175.900 -0.106 0.000 1.244 532 Y CA -0.484 57.508 58.100 -0.179 0.000 1.950 532 Y CB -0.215 38.108 38.460 -0.227 0.000 2.028 532 Y HN 0.336 nan 8.280 nan 0.000 0.421 533 S N 0.158 115.903 115.700 0.075 0.000 3.380 533 S HA -0.222 4.247 4.470 -0.001 0.000 0.300 533 S C -0.076 174.586 174.600 0.103 0.000 1.255 533 S CA 1.156 59.395 58.200 0.065 0.000 0.963 533 S CB -1.007 62.222 63.200 0.049 0.000 1.106 533 S HN 0.662 nan 8.310 nan 0.000 0.629 534 K N -0.530 119.966 120.400 0.160 0.000 2.548 534 K HA 0.429 4.748 4.320 -0.001 0.000 0.282 534 K C -0.928 175.868 176.600 0.327 0.000 1.006 534 K CA -0.833 55.609 56.287 0.259 0.000 0.892 534 K CB 1.502 34.282 32.500 0.466 0.000 1.499 534 K HN 0.002 nan 8.250 nan 0.000 0.433 535 T N 1.534 116.207 114.554 0.198 0.000 2.771 535 T HA 0.509 4.858 4.350 -0.001 0.000 0.291 535 T C -0.886 173.865 174.700 0.086 0.000 0.954 535 T CA -0.224 61.944 62.100 0.112 0.000 1.045 535 T CB -0.060 68.758 68.868 -0.083 0.000 0.917 535 T HN 0.165 nan 8.240 nan 0.000 0.484 536 F N 1.674 121.508 119.950 -0.194 0.000 2.520 536 F HA 0.495 5.021 4.527 -0.001 0.000 0.322 536 F C 0.013 175.718 175.800 -0.159 0.000 1.103 536 F CA -2.086 55.795 58.000 -0.197 0.000 0.926 536 F CB 1.069 39.986 39.000 -0.138 0.000 1.154 536 F HN 0.530 nan 8.300 nan 0.000 0.453 537 F N 2.528 122.442 119.950 -0.059 0.000 2.504 537 F HA 0.367 4.894 4.527 -0.001 0.000 0.369 537 F C 0.125 175.918 175.800 -0.011 0.000 1.082 537 F CA -0.317 57.641 58.000 -0.071 0.000 1.216 537 F CB 0.663 39.523 39.000 -0.234 0.000 1.108 537 F HN -0.013 nan 8.300 nan 0.000 0.554 538 V N 6.271 126.355 119.914 0.284 0.000 2.459 538 V HA 0.272 4.392 4.120 -0.001 0.000 0.295 538 V C -0.159 176.021 176.094 0.144 0.000 1.029 538 V CA -0.809 61.592 62.300 0.169 0.000 0.874 538 V CB 1.926 33.831 31.823 0.136 0.000 0.985 538 V HN 0.545 nan 8.190 nan 0.000 0.438 539 L N 7.433 128.719 121.223 0.103 0.000 2.335 539 L HA 0.405 4.744 4.340 -0.001 0.000 0.268 539 L C -2.053 174.861 176.870 0.073 0.000 1.037 539 L CA -1.762 53.130 54.840 0.086 0.000 0.895 539 L CB 2.150 44.257 42.059 0.081 0.000 1.266 539 L HN 0.475 nan 8.230 nan 0.000 0.439 540 P HA -0.085 nan 4.420 nan 0.000 0.252 540 P C -0.464 176.869 177.300 0.054 0.000 1.183 540 P CA -0.126 63.017 63.100 0.071 0.000 0.973 540 P CB 0.378 32.133 31.700 0.092 0.000 0.990 541 L N 4.516 125.766 121.223 0.045 0.000 2.281 541 L HA 0.288 4.627 4.340 -0.001 0.000 0.285 541 L C 0.898 177.792 176.870 0.039 0.000 1.074 541 L CA -0.358 54.506 54.840 0.039 0.000 0.817 541 L CB 0.406 42.485 42.059 0.034 0.000 1.168 541 L HN 0.204 nan 8.230 nan 0.000 0.434 542 R N 3.253 123.776 120.500 0.038 0.000 2.308 542 R HA 0.569 4.908 4.340 -0.001 0.000 0.305 542 R C 0.440 176.766 176.300 0.042 0.000 1.053 542 R CA 0.681 56.803 56.100 0.037 0.000 0.957 542 R CB 0.631 30.951 30.300 0.032 0.000 1.022 542 R HN 0.942 nan 8.270 nan 0.000 0.461 543 G N 2.954 111.782 108.800 0.047 0.000 2.499 543 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.232 543 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.232 543 G C -1.427 173.516 174.900 0.071 0.000 1.251 543 G CA -0.142 44.992 45.100 0.056 0.000 0.917 543 G HN 0.587 nan 8.290 nan 0.000 0.580 544 K N 0.175 120.625 120.400 0.083 0.000 2.371 544 K HA 0.739 5.059 4.320 -0.001 0.000 0.251 544 K C 0.560 177.230 176.600 0.115 0.000 0.934 544 K CA -0.981 55.372 56.287 0.111 0.000 0.798 544 K CB 2.200 34.780 32.500 0.133 0.000 1.204 544 K HN 0.703 nan 8.250 nan 0.000 0.427 545 L N 0.886 122.188 121.223 0.132 0.000 2.236 545 L HA -0.050 4.289 4.340 -0.001 0.000 0.215 545 L C 0.077 177.035 176.870 0.147 0.000 1.175 545 L CA 0.626 55.524 54.840 0.096 0.000 0.825 545 L CB 0.040 42.163 42.059 0.107 0.000 1.129 545 L HN 0.815 nan 8.230 nan 0.000 0.612 546 S N -0.667 115.080 115.700 0.078 0.000 2.545 546 S HA 0.398 4.868 4.470 -0.001 0.000 0.259 546 S C -1.057 173.678 174.600 0.224 0.000 1.092 546 S CA -0.668 57.685 58.200 0.254 0.000 1.054 546 S CB 0.612 63.956 63.200 0.240 0.000 1.146 546 S HN 0.210 nan 8.310 nan 0.000 0.447 547 F N 2.321 122.376 119.950 0.176 0.000 2.385 547 F HA 0.607 5.134 4.527 -0.001 0.000 0.336 547 F C 0.621 176.493 175.800 0.119 0.000 1.100 547 F CA -0.257 57.804 58.000 0.102 0.000 1.116 547 F CB 0.743 39.694 39.000 -0.083 0.000 1.166 547 F HN 0.453 nan 8.300 nan 0.000 0.511 548 W N 0.523 121.808 121.300 -0.026 0.000 3.165 548 W HA 0.348 5.007 4.660 -0.001 0.000 0.351 548 W C -0.119 176.410 176.519 0.017 0.000 1.164 548 W CA -0.462 56.865 57.345 -0.030 0.000 1.074 548 W CB 2.159 31.552 29.460 -0.111 0.000 1.499 548 W HN 0.317 nan 8.180 nan 0.000 0.600 549 E N 0.250 120.584 120.200 0.224 0.000 3.042 549 E HA 0.202 4.551 4.350 -0.001 0.000 0.144 549 E C 0.160 176.874 176.600 0.191 0.000 0.893 549 E CA 0.558 57.056 56.400 0.164 0.000 1.422 549 E CB 0.575 30.315 29.700 0.067 0.000 0.997 549 E HN 0.602 nan 8.360 nan 0.000 0.420 550 A N -0.154 122.872 122.820 0.344 0.000 2.799 550 A HA -0.258 4.061 4.320 -0.001 0.000 0.274 550 A C 0.897 178.611 177.584 0.217 0.000 1.393 550 A CA 1.834 54.056 52.037 0.308 0.000 0.909 550 A CB -1.851 17.263 19.000 0.190 0.000 1.012 550 A HN 0.518 nan 8.150 nan 0.000 0.653 551 G N -3.322 105.570 108.800 0.154 0.000 3.069 551 G HA2 0.527 4.486 3.960 -0.001 0.000 0.205 551 G HA3 0.527 4.486 3.960 -0.001 0.000 0.205 551 G C 0.456 175.347 174.900 -0.016 0.000 1.771 551 G CA 0.930 46.065 45.100 0.058 0.000 0.739 551 G HN 0.784 nan 8.290 nan 0.000 0.784 552 T N 0.478 114.962 114.554 -0.117 0.000 3.412 552 T HA 0.296 4.645 4.350 -0.001 0.000 0.305 552 T C -0.195 174.346 174.700 -0.265 0.000 0.892 552 T CA -0.026 61.959 62.100 -0.190 0.000 0.936 552 T CB 0.709 69.527 68.868 -0.084 0.000 1.202 552 T HN 0.326 nan 8.240 nan 0.000 0.621 553 T N 3.458 117.859 114.554 -0.256 0.000 2.859 553 T HA 0.575 4.925 4.350 -0.001 0.000 0.281 553 T C -0.082 174.455 174.700 -0.271 0.000 1.005 553 T CA -0.737 61.237 62.100 -0.211 0.000 1.025 553 T CB 1.687 70.492 68.868 -0.105 0.000 0.977 553 T HN 0.382 nan 8.240 nan 0.000 0.458 562 N N -0.807 117.910 118.700 0.028 0.000 6.841 562 N HA -0.168 4.571 4.740 -0.001 0.000 0.420 562 N C 0.442 175.983 175.510 0.052 0.000 0.944 562 N CA 1.394 54.468 53.050 0.041 0.000 1.444 562 N CB -0.558 37.974 38.487 0.075 0.000 0.807 562 N HN 0.497 nan 8.380 nan 0.000 0.332 563 T N -1.193 113.387 114.554 0.043 0.000 2.959 563 T HA 0.118 4.468 4.350 -0.001 0.000 0.254 563 T C 0.241 174.968 174.700 0.046 0.000 1.003 563 T CA 0.451 62.576 62.100 0.041 0.000 0.950 563 T CB 0.179 69.061 68.868 0.023 0.000 1.090 563 T HN 0.544 nan 8.240 nan 0.000 0.503 564 T N 3.626 118.208 114.554 0.047 0.000 2.891 564 T HA 0.252 4.601 4.350 -0.001 0.000 0.258 564 T C 1.568 176.299 174.700 0.053 0.000 0.942 564 T CA 0.103 62.228 62.100 0.042 0.000 1.200 564 T CB 0.001 68.891 68.868 0.037 0.000 0.922 564 T HN 0.342 nan 8.240 nan 0.000 0.585 565 A N 3.431 126.280 122.820 0.049 0.000 2.310 565 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 565 A C 1.654 179.271 177.584 0.054 0.000 1.197 565 A CA 0.601 52.671 52.037 0.055 0.000 0.690 565 A CB -0.526 18.502 19.000 0.045 0.000 0.779 565 A HN 0.672 nan 8.150 nan 0.000 0.496 566 S N 0.169 115.898 115.700 0.049 0.000 2.537 566 S HA 0.244 4.713 4.470 -0.001 0.000 0.286 566 S C -0.403 174.225 174.600 0.047 0.000 1.299 566 S CA -0.160 58.064 58.200 0.040 0.000 1.067 566 S CB 0.323 63.540 63.200 0.029 0.000 0.864 566 S HN 0.337 nan 8.310 nan 0.000 0.494 567 D N 3.498 123.921 120.400 0.039 0.000 2.527 567 D HA 0.146 4.785 4.640 -0.001 0.000 0.242 567 D C -0.949 175.363 176.300 0.020 0.000 1.285 567 D CA -0.285 53.737 54.000 0.036 0.000 0.886 567 D CB 0.891 41.729 40.800 0.063 0.000 1.402 567 D HN 0.688 nan 8.370 nan 0.000 0.528 568 Q N 1.846 121.647 119.800 0.002 0.000 2.262 568 Q HA 0.207 4.546 4.340 -0.001 0.000 0.272 568 Q C 0.201 176.201 176.000 0.000 0.000 1.076 568 Q CA 0.319 56.124 55.803 0.003 0.000 0.905 568 Q CB 1.521 30.253 28.738 -0.011 0.000 1.182 568 Q HN 0.364 nan 8.270 nan 0.000 0.390 569 L N 4.854 126.088 121.223 0.020 0.000 2.281 569 L HA 0.310 4.649 4.340 -0.001 0.000 0.285 569 L C -0.527 176.367 176.870 0.040 0.000 1.074 569 L CA -0.258 54.595 54.840 0.022 0.000 0.817 569 L CB 0.376 42.459 42.059 0.040 0.000 1.168 569 L HN 0.446 nan 8.230 nan 0.000 0.434 570 L N 4.289 125.533 121.223 0.034 0.000 2.341 570 L HA 0.742 5.082 4.340 -0.001 0.000 0.267 570 L C -0.553 176.356 176.870 0.066 0.000 1.009 570 L CA -0.576 54.305 54.840 0.069 0.000 0.819 570 L CB 2.393 44.490 42.059 0.063 0.000 1.323 570 L HN 0.200 nan 8.230 nan 0.000 0.425 571 V N 0.373 120.316 119.914 0.049 0.000 2.971 571 V HA 0.381 4.501 4.120 -0.001 0.000 0.309 571 V C -0.609 175.325 176.094 -0.267 0.000 1.130 571 V CA -0.818 61.403 62.300 -0.133 0.000 0.964 571 V CB 2.293 33.828 31.823 -0.480 0.000 1.029 571 V HN 0.866 nan 8.190 nan 0.000 0.427 572 E N 2.170 122.006 120.200 -0.606 0.000 2.292 572 E HA 0.337 4.686 4.350 -0.001 0.000 0.258 572 E C -0.010 176.166 176.600 -0.707 0.000 1.115 572 E CA -0.677 54.957 56.400 -1.276 0.000 0.929 572 E CB 1.037 29.683 29.700 -1.757 0.000 1.161 572 E HN 0.555 nan 8.360 nan 0.000 0.453 573 N N -0.359 117.903 118.700 -0.731 0.000 2.205 573 N HA 0.081 4.821 4.740 -0.001 0.000 0.201 573 N C -0.007 175.247 175.510 -0.425 0.000 1.128 573 N CA 0.154 52.917 53.050 -0.478 0.000 0.867 573 N CB 0.413 38.577 38.487 -0.538 0.000 0.996 573 N HN 0.556 nan 8.380 nan 0.000 0.503 574 A N 0.650 123.180 122.820 -0.484 0.000 2.262 574 A HA 0.480 4.799 4.320 -0.001 0.000 0.275 574 A C 1.320 178.633 177.584 -0.451 0.000 1.402 574 A CA 0.572 52.390 52.037 -0.365 0.000 0.817 574 A CB -0.472 18.361 19.000 -0.279 0.000 1.271 574 A HN 0.218 nan 8.150 nan 0.000 0.520 575 A N -2.057 120.591 122.820 -0.287 0.000 2.251 575 A HA 0.404 4.723 4.320 -0.001 0.000 0.209 575 A C 1.567 179.037 177.584 -0.190 0.000 1.187 575 A CA 1.214 53.112 52.037 -0.232 0.000 0.823 575 A CB -0.753 18.186 19.000 -0.102 0.000 0.846 575 A HN 1.245 nan 8.150 nan 0.000 0.486 576 G N -2.650 106.020 108.800 -0.217 0.000 2.784 576 G HA2 0.190 4.149 3.960 -0.001 0.000 0.208 576 G HA3 0.190 4.149 3.960 -0.001 0.000 0.208 576 G C 0.674 175.579 174.900 0.008 0.000 1.120 576 G CA 0.462 45.519 45.100 -0.071 0.000 0.774 576 G HN 0.548 nan 8.290 nan 0.000 0.528 577 H N 0.327 119.350 119.070 -0.079 0.000 2.971 577 H HA -0.149 4.406 4.556 -0.001 0.000 0.281 577 H C 0.995 176.254 175.328 -0.115 0.000 1.131 577 H CA 1.244 57.210 56.048 -0.137 0.000 1.166 577 H CB -1.213 28.586 29.762 0.062 0.000 1.311 577 H HN 0.501 nan 8.280 nan 0.000 0.349 578 R N -0.107 120.397 120.500 0.007 0.000 2.973 578 R HA 0.252 4.592 4.340 -0.001 0.000 0.277 578 R C 0.663 176.977 176.300 0.024 0.000 1.000 578 R CA 0.546 56.674 56.100 0.047 0.000 1.175 578 R CB 0.556 30.891 30.300 0.058 0.000 1.113 578 R HN -0.057 nan 8.270 nan 0.000 0.495 579 V N -0.461 119.496 119.914 0.072 0.000 2.960 579 V HA 0.670 4.790 4.120 -0.001 0.000 0.315 579 V C -0.435 175.704 176.094 0.074 0.000 1.087 579 V CA -1.034 61.304 62.300 0.064 0.000 0.982 579 V CB 1.893 33.764 31.823 0.080 0.000 1.039 579 V HN 0.884 nan 8.190 nan 0.000 0.437 580 A N 4.072 126.923 122.820 0.052 0.000 2.335 580 A HA 0.902 5.221 4.320 -0.001 0.000 0.304 580 A C -0.774 176.805 177.584 -0.008 0.000 1.118 580 A CA -0.494 51.556 52.037 0.023 0.000 0.757 580 A CB 0.756 19.756 19.000 -0.001 0.000 1.188 580 A HN 0.854 nan 8.150 nan 0.000 0.460 581 I N 0.505 121.076 120.570 0.002 0.000 2.603 581 I HA 0.803 4.972 4.170 -0.001 0.000 0.300 581 I C -0.068 176.109 176.117 0.100 0.000 1.017 581 I CA -0.800 60.499 61.300 -0.002 0.000 1.098 581 I CB 2.450 40.373 38.000 -0.128 0.000 1.279 581 I HN 0.491 nan 8.210 nan 0.000 0.437 582 S N 2.136 117.900 115.700 0.108 0.000 2.789 582 S HA 0.545 5.014 4.470 -0.001 0.000 0.286 582 S C -0.514 174.026 174.600 -0.099 0.000 1.153 582 S CA -0.494 57.697 58.200 -0.015 0.000 1.084 582 S CB 1.256 64.330 63.200 -0.211 0.000 1.036 582 S HN 0.687 nan 8.310 nan 0.000 0.484 583 T N 3.644 118.139 114.554 -0.099 0.000 3.103 583 T HA 0.298 4.647 4.350 -0.001 0.000 0.352 583 T C 0.258 174.827 174.700 -0.219 0.000 1.048 583 T CA -0.582 61.352 62.100 -0.277 0.000 1.175 583 T CB -0.182 68.430 68.868 -0.427 0.000 1.029 583 T HN 0.557 nan 8.240 nan 0.000 0.498 584 Y N 0.995 121.067 120.300 -0.381 0.000 2.539 584 Y HA -0.305 4.245 4.550 -0.001 0.000 0.264 584 Y C 1.687 177.532 175.900 -0.092 0.000 1.343 584 Y CA 0.954 58.859 58.100 -0.325 0.000 1.270 584 Y CB -2.368 35.756 38.460 -0.560 0.000 0.901 584 Y HN 0.405 nan 8.280 nan 0.000 0.592 585 T N -0.425 114.178 114.554 0.083 0.000 2.667 585 T HA 0.264 4.613 4.350 -0.001 0.000 0.305 585 T C 1.073 175.862 174.700 0.147 0.000 1.022 585 T CA 0.631 62.789 62.100 0.096 0.000 0.995 585 T CB 0.759 69.632 68.868 0.008 0.000 1.026 585 T HN 0.239 nan 8.240 nan 0.000 0.527 586 T N 0.093 114.740 114.554 0.155 0.000 3.475 586 T HA 0.093 4.443 4.350 -0.001 0.000 0.310 586 T C 1.626 176.436 174.700 0.183 0.000 0.963 586 T CA -0.046 62.167 62.100 0.188 0.000 0.985 586 T CB -0.100 68.829 68.868 0.102 0.000 1.198 586 T HN 0.664 nan 8.240 nan 0.000 0.508 587 S N 1.152 116.935 115.700 0.138 0.000 2.559 587 S HA 0.061 4.531 4.470 -0.001 0.000 0.250 587 S C 0.877 175.539 174.600 0.103 0.000 0.977 587 S CA 0.570 58.819 58.200 0.081 0.000 0.958 587 S CB -0.354 62.856 63.200 0.017 0.000 0.751 587 S HN 0.563 nan 8.310 nan 0.000 0.534 588 L N -0.058 121.281 121.223 0.194 0.000 3.293 588 L HA 0.318 4.657 4.340 -0.001 0.000 0.345 588 L C 1.610 178.676 176.870 0.328 0.000 1.311 588 L CA -0.086 54.891 54.840 0.229 0.000 0.846 588 L CB -0.049 42.152 42.059 0.236 0.000 1.293 588 L HN 0.381 nan 8.230 nan 0.000 0.601 589 G N 0.667 109.617 108.800 0.249 0.000 2.517 589 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.222 589 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.222 589 G C 1.026 176.034 174.900 0.179 0.000 1.109 589 G CA 0.584 45.814 45.100 0.217 0.000 0.746 589 G HN 0.571 nan 8.290 nan 0.000 0.576 590 A N 0.207 123.106 122.820 0.133 0.000 2.610 590 A HA 0.302 4.621 4.320 -0.001 0.000 0.250 590 A C 1.831 179.431 177.584 0.027 0.000 0.978 590 A CA 1.050 53.125 52.037 0.064 0.000 0.827 590 A CB -0.338 18.687 19.000 0.041 0.000 0.867 590 A HN 0.872 nan 8.150 nan 0.000 0.495 591 G N 3.614 112.418 108.800 0.007 0.000 2.877 591 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.211 591 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.211 591 G C -1.311 173.535 174.900 -0.090 0.000 1.367 591 G CA 1.104 46.195 45.100 -0.014 0.000 0.807 591 G HN 0.782 nan 8.290 nan 0.000 0.666 592 P HA 0.469 nan 4.420 nan 0.000 0.288 592 P C -1.059 176.118 177.300 -0.205 0.000 1.363 592 P CA -0.061 62.952 63.100 -0.145 0.000 0.837 592 P CB 1.538 33.195 31.700 -0.073 0.000 0.981 593 V N 2.976 122.639 119.914 -0.419 0.000 2.876 593 V HA 0.411 4.531 4.120 -0.001 0.000 0.312 593 V C 0.211 176.118 176.094 -0.312 0.000 1.085 593 V CA -0.679 61.385 62.300 -0.393 0.000 0.945 593 V CB 2.400 33.938 31.823 -0.475 0.000 1.017 593 V HN 0.587 nan 8.190 nan 0.000 0.428 594 S N 4.425 120.102 115.700 -0.039 0.000 2.438 594 S HA 0.791 5.261 4.470 -0.001 0.000 0.316 594 S C -0.717 173.999 174.600 0.193 0.000 1.084 594 S CA -0.478 57.771 58.200 0.082 0.000 1.107 594 S CB 1.236 64.477 63.200 0.069 0.000 0.981 594 S HN 0.692 nan 8.310 nan 0.000 0.466 595 I N 2.182 122.904 120.570 0.253 0.000 2.646 595 I HA 0.588 4.757 4.170 -0.001 0.000 0.299 595 I C -0.810 175.346 176.117 0.066 0.000 1.036 595 I CA -0.485 60.935 61.300 0.202 0.000 1.074 595 I CB 2.244 40.322 38.000 0.131 0.000 1.258 595 I HN 0.702 nan 8.210 nan 0.000 0.430 596 S N 4.869 120.581 115.700 0.021 0.000 2.500 596 S HA 0.877 5.346 4.470 -0.001 0.000 0.301 596 S C -1.029 173.255 174.600 -0.525 0.000 1.092 596 S CA -0.592 57.387 58.200 -0.368 0.000 1.030 596 S CB 1.804 64.632 63.200 -0.620 0.000 1.031 596 S HN 0.725 nan 8.310 nan 0.000 0.483 597 A N 2.433 124.825 122.820 -0.714 0.000 2.459 597 A HA 0.719 5.038 4.320 -0.001 0.000 0.296 597 A C -0.964 176.272 177.584 -0.579 0.000 1.039 597 A CA -0.558 51.136 52.037 -0.571 0.000 0.698 597 A CB 0.986 19.741 19.000 -0.409 0.000 1.261 597 A HN 0.583 nan 8.150 nan 0.000 0.405 598 V N 1.036 120.657 119.914 -0.488 0.000 2.567 598 V HA 0.800 4.919 4.120 -0.001 0.000 0.289 598 V C 0.499 176.529 176.094 -0.107 0.000 1.049 598 V CA 0.429 62.572 62.300 -0.262 0.000 0.969 598 V CB 1.455 33.162 31.823 -0.195 0.000 0.995 598 V HN 1.637 nan 8.190 nan 0.000 0.471 599 A N 3.846 126.646 122.820 -0.033 0.000 2.480 599 A HA 0.687 5.006 4.320 -0.001 0.000 0.289 599 A C -1.008 176.593 177.584 0.028 0.000 1.044 599 A CA -0.520 51.516 52.037 -0.001 0.000 0.761 599 A CB 1.232 20.222 19.000 -0.015 0.000 1.289 599 A HN 0.658 nan 8.150 nan 0.000 0.401 600 V N 2.266 122.200 119.914 0.033 0.000 2.732 600 V HA 0.416 4.535 4.120 -0.001 0.000 0.297 600 V C 0.396 176.509 176.094 0.032 0.000 1.060 600 V CA -0.408 61.913 62.300 0.035 0.000 1.038 600 V CB 0.985 32.830 31.823 0.036 0.000 1.003 600 V HN 0.722 nan 8.190 nan 0.000 0.481 601 L N 3.182 124.421 121.223 0.026 0.000 2.307 601 L HA 0.729 5.069 4.340 -0.001 0.000 0.282 601 L C 0.411 177.296 176.870 0.025 0.000 1.051 601 L CA -0.336 54.518 54.840 0.023 0.000 0.804 601 L CB 1.496 43.559 42.059 0.007 0.000 1.197 601 L HN 0.832 nan 8.230 nan 0.000 0.431 602 A N 4.540 127.380 122.820 0.034 0.000 2.312 602 A HA 0.736 5.055 4.320 -0.001 0.000 0.326 602 A C -2.441 175.172 177.584 0.048 0.000 1.172 602 A CA -1.705 50.354 52.037 0.037 0.000 0.821 602 A CB 0.540 19.562 19.000 0.038 0.000 1.166 602 A HN 0.432 nan 8.150 nan 0.000 0.493 603 P HA -0.036 nan 4.420 nan 0.000 0.264 603 P C -0.359 177.001 177.300 0.100 0.000 1.179 603 P CA 0.614 63.750 63.100 0.059 0.000 0.763 603 P CB 0.172 31.895 31.700 0.038 0.000 0.806 604 H N 1.770 120.842 119.070 0.004 0.000 3.004 604 H HA 0.074 4.630 4.556 -0.001 0.000 0.316 604 H C 0.948 176.284 175.328 0.012 0.000 1.014 604 H CA 0.843 56.897 56.048 0.010 0.000 1.454 604 H CB 0.363 30.130 29.762 0.009 0.000 1.472 604 H HN 0.214 nan 8.280 nan 0.000 0.571 605 S N 3.381 118.912 115.700 -0.282 0.000 2.439 605 S HA 0.207 4.676 4.470 -0.001 0.000 0.224 605 S C 0.984 175.396 174.600 -0.313 0.000 1.029 605 S CA 0.231 58.294 58.200 -0.230 0.000 0.946 605 S CB 0.150 63.278 63.200 -0.119 0.000 0.797 605 S HN 0.854 nan 8.310 nan 0.000 0.504 606 A N 0.000 122.485 122.820 -0.558 0.000 2.254 606 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 606 A CA 0.000 51.844 52.037 -0.321 0.000 0.836 606 A CB 0.000 18.856 19.000 -0.240 0.000 0.831 606 A HN 0.000 nan 8.150 nan 0.000 0.486