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 3edf_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGQEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.218 177.300 -0.137 0.000 1.155 3 P CA 0.000 63.035 63.100 -0.109 0.000 0.800 3 P CB 0.000 31.627 31.700 -0.121 0.000 0.726 4 T N 0.317 114.782 114.554 -0.150 0.000 2.923 4 T HA 0.272 4.622 4.350 -0.000 0.000 0.304 4 T C 1.359 175.944 174.700 -0.192 0.000 1.044 4 T CA 0.766 62.771 62.100 -0.158 0.000 1.141 4 T CB 0.356 69.120 68.868 -0.173 0.000 1.023 4 T HN 0.607 nan 8.240 nan 0.000 0.533 5 A N 4.288 127.016 122.820 -0.153 0.000 1.849 5 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 5 A C 0.977 178.428 177.584 -0.221 0.000 1.225 5 A CA 1.193 53.138 52.037 -0.154 0.000 0.653 5 A CB -0.578 18.362 19.000 -0.099 0.000 0.844 5 A HN 0.812 nan 8.150 nan 0.000 0.453 6 I N -0.501 119.949 120.570 -0.199 0.000 2.312 6 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 6 I C 1.016 176.974 176.117 -0.264 0.000 1.008 6 I CA 0.014 61.162 61.300 -0.253 0.000 1.226 6 I CB 1.602 39.488 38.000 -0.190 0.000 1.371 6 I HN 0.619 nan 8.210 nan 0.000 0.468 7 E N 5.128 125.103 120.200 -0.375 0.000 2.140 7 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 7 E C -0.044 176.141 176.600 -0.693 0.000 0.973 7 E CA 0.703 56.806 56.400 -0.495 0.000 0.829 7 E CB 0.503 29.888 29.700 -0.525 0.000 0.781 7 E HN 0.531 nan 8.360 nan 0.000 0.466 8 H N -0.531 118.405 119.070 -0.222 0.000 2.771 8 H HA 0.362 4.918 4.556 -0.000 0.000 0.361 8 H C -1.301 173.920 175.328 -0.179 0.000 1.108 8 H CA -0.854 55.075 56.048 -0.198 0.000 1.201 8 H CB 1.693 31.323 29.762 -0.220 0.000 1.681 8 H HN 0.065 nan 8.280 nan 0.000 0.534 9 M N 2.604 122.125 119.600 -0.131 0.000 2.142 9 M HA 0.300 4.780 4.480 -0.000 0.000 0.299 9 M C -1.511 174.605 176.300 -0.307 0.000 0.960 9 M CA -0.039 55.078 55.300 -0.304 0.000 0.920 9 M CB 1.233 33.369 32.600 -0.772 0.000 1.541 9 M HN 0.529 nan 8.290 nan 0.000 0.429 10 E N 6.477 126.534 120.200 -0.238 0.000 2.263 10 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 10 E C -2.706 173.742 176.600 -0.254 0.000 0.884 10 E CA -2.009 54.125 56.400 -0.445 0.000 0.766 10 E CB 2.009 31.572 29.700 -0.229 0.000 1.196 10 E HN 0.433 nan 8.360 nan 0.000 0.416 11 P HA 0.050 nan 4.420 nan 0.000 0.272 11 P C -2.123 174.917 177.300 -0.433 0.000 1.223 11 P CA -1.261 61.454 63.100 -0.643 0.000 0.784 11 P CB 0.609 32.261 31.700 -0.081 0.000 0.923 12 P HA 0.016 nan 4.420 nan 0.000 0.231 12 P C -0.123 177.056 177.300 -0.202 0.000 1.168 12 P CA 1.095 64.016 63.100 -0.300 0.000 0.779 12 P CB -0.048 31.496 31.700 -0.260 0.000 0.844 13 F N -4.750 115.091 119.950 -0.182 0.000 2.773 13 F HA 0.659 5.186 4.527 -0.000 0.000 0.314 13 F C -0.890 174.970 175.800 0.099 0.000 1.160 13 F CA -1.559 56.157 58.000 -0.474 0.000 0.920 13 F CB 0.518 39.244 39.000 -0.458 0.000 1.323 13 F HN -0.169 nan 8.300 nan 0.000 0.457 14 W N 0.420 121.724 121.300 0.006 0.000 3.831 14 W HA 0.561 5.221 4.660 -0.000 0.000 0.369 14 W C -1.797 174.591 176.519 -0.220 0.000 1.128 14 W CA -0.809 56.570 57.345 0.056 0.000 0.988 14 W CB 1.882 31.607 29.460 0.442 0.000 1.678 14 W HN 0.551 nan 8.180 nan 0.000 0.619 15 W N 1.281 122.630 121.300 0.083 0.000 2.936 15 W HA 0.530 5.190 4.660 -0.000 0.000 0.338 15 W C -0.259 176.362 176.519 0.169 0.000 1.121 15 W CA -0.895 56.476 57.345 0.042 0.000 1.209 15 W CB 1.430 30.790 29.460 -0.166 0.000 1.420 15 W HN 0.361 nan 8.180 nan 0.000 0.516 16 A N 0.695 123.740 122.820 0.375 0.000 2.407 16 A HA 0.544 4.864 4.320 -0.000 0.000 0.248 16 A C 0.980 178.715 177.584 0.250 0.000 1.082 16 A CA 0.965 53.190 52.037 0.312 0.000 0.785 16 A CB -0.111 19.044 19.000 0.259 0.000 1.020 16 A HN 1.554 nan 8.150 nan 0.000 0.489 17 G N 0.611 109.533 108.800 0.203 0.000 2.147 17 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 17 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 17 G C 0.199 175.156 174.900 0.095 0.000 1.005 17 G CA 0.369 45.547 45.100 0.131 0.000 0.713 17 G HN 0.567 nan 8.290 nan 0.000 0.515 18 M N -0.673 119.009 119.600 0.138 0.000 2.157 18 M HA 0.284 4.764 4.480 -0.000 0.000 0.304 18 M C 1.558 177.904 176.300 0.077 0.000 1.171 18 M CA -0.140 55.210 55.300 0.083 0.000 1.157 18 M CB 0.532 33.246 32.600 0.190 0.000 1.403 18 M HN 0.217 nan 8.290 nan 0.000 0.473 19 Q N 0.827 120.640 119.800 0.022 0.000 2.046 19 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 19 Q C 0.164 176.223 176.000 0.098 0.000 0.975 19 Q CA 1.693 57.510 55.803 0.024 0.000 0.836 19 Q CB -0.135 28.576 28.738 -0.046 0.000 0.896 19 Q HN 0.638 nan 8.270 nan 0.000 0.428 20 H N 0.395 119.502 119.070 0.061 0.000 2.620 20 H HA 0.171 4.727 4.556 0.000 0.000 0.313 20 H C 0.399 175.817 175.328 0.151 0.000 1.075 20 H CA -0.320 55.780 56.048 0.087 0.000 1.397 20 H CB 0.804 30.620 29.762 0.091 0.000 1.446 20 H HN -0.032 nan 8.280 nan 0.000 0.493 21 K N 3.295 123.575 120.400 -0.201 0.000 2.167 21 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 21 K C 1.010 177.600 176.600 -0.017 0.000 1.052 21 K CA 0.691 56.950 56.287 -0.046 0.000 0.956 21 K CB -0.147 32.310 32.500 -0.072 0.000 0.735 21 K HN 0.725 nan 8.250 nan 0.000 0.451 22 G N 1.812 110.495 108.800 -0.194 0.000 2.442 22 G HA2 0.341 4.301 3.960 -0.000 0.000 0.249 22 G HA3 0.341 4.301 3.960 -0.000 0.000 0.249 22 G C -0.929 174.041 174.900 0.117 0.000 1.263 22 G CA -0.268 44.837 45.100 0.009 0.000 0.846 22 G HN 0.133 nan 8.290 nan 0.000 0.555 23 L N 0.729 121.939 121.223 -0.022 0.000 2.476 23 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 23 L C -0.530 176.259 176.870 -0.136 0.000 0.965 23 L CA -0.684 54.027 54.840 -0.216 0.000 0.845 23 L CB 2.285 44.105 42.059 -0.398 0.000 1.259 23 L HN 0.593 nan 8.230 nan 0.000 0.403 24 Q N 4.797 124.531 119.800 -0.109 0.000 2.348 24 Q HA 0.596 4.936 4.340 -0.000 0.000 0.265 24 Q C -1.622 174.386 176.000 0.014 0.000 0.998 24 Q CA -0.559 55.252 55.803 0.015 0.000 0.831 24 Q CB 1.201 30.006 28.738 0.110 0.000 1.251 24 Q HN 0.777 nan 8.270 nan 0.000 0.456 25 L N 4.185 125.411 121.223 0.005 0.000 2.292 25 L HA 0.453 4.793 4.340 -0.000 0.000 0.284 25 L C -0.030 176.863 176.870 0.040 0.000 1.065 25 L CA -0.360 54.464 54.840 -0.027 0.000 0.806 25 L CB 1.218 43.208 42.059 -0.115 0.000 1.175 25 L HN 0.630 nan 8.230 nan 0.000 0.431 26 M N 4.496 124.114 119.600 0.029 0.000 2.066 26 M HA 0.449 4.929 4.480 -0.000 0.000 0.340 26 M C -1.359 174.871 176.300 -0.116 0.000 1.053 26 M CA -0.546 54.675 55.300 -0.133 0.000 0.983 26 M CB 1.120 33.814 32.600 0.157 0.000 1.520 26 M HN 0.312 nan 8.290 nan 0.000 0.428 27 V N 4.823 124.601 119.914 -0.226 0.000 2.435 27 V HA 0.470 4.590 4.120 -0.000 0.000 0.290 27 V C -0.424 175.593 176.094 -0.129 0.000 1.030 27 V CA -0.688 61.496 62.300 -0.194 0.000 0.881 27 V CB 1.483 33.117 31.823 -0.315 0.000 0.983 27 V HN 0.790 nan 8.190 nan 0.000 0.445 28 H N 2.706 121.648 119.070 -0.213 0.000 2.667 28 H HA 0.767 5.323 4.556 -0.000 0.000 0.353 28 H C -0.399 174.734 175.328 -0.324 0.000 1.072 28 H CA 0.103 55.969 56.048 -0.304 0.000 1.214 28 H CB 2.188 31.895 29.762 -0.092 0.000 1.600 28 H HN 0.933 nan 8.280 nan 0.000 0.527 29 G N 3.711 112.025 108.800 -0.811 0.000 2.387 29 G HA2 0.108 4.068 3.960 -0.000 0.000 0.294 29 G HA3 0.108 4.068 3.960 -0.000 0.000 0.294 29 G C -1.442 173.162 174.900 -0.494 0.000 1.509 29 G CA -1.174 43.511 45.100 -0.692 0.000 0.806 29 G HN 0.710 nan 8.290 nan 0.000 0.546 30 R N 0.967 121.250 120.500 -0.362 0.000 2.480 30 R HA 0.212 4.552 4.340 -0.000 0.000 0.303 30 R C -0.021 176.175 176.300 -0.173 0.000 0.985 30 R CA 0.979 56.943 56.100 -0.226 0.000 1.051 30 R CB -0.143 30.060 30.300 -0.161 0.000 0.935 30 R HN 0.599 nan 8.270 nan 0.000 0.410 31 D N 3.177 123.499 120.400 -0.131 0.000 2.983 31 D HA -0.266 4.374 4.640 -0.000 0.000 0.225 31 D C 0.842 177.083 176.300 -0.098 0.000 1.174 31 D CA 1.149 55.099 54.000 -0.084 0.000 0.831 31 D CB -0.806 39.961 40.800 -0.055 0.000 1.104 31 D HN 0.621 nan 8.370 nan 0.000 0.421 32 I N 0.605 121.075 120.570 -0.166 0.000 2.361 32 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 32 I C 2.413 178.472 176.117 -0.098 0.000 1.133 32 I CA 2.260 63.441 61.300 -0.198 0.000 1.413 32 I CB -0.124 37.666 38.000 -0.350 0.000 1.073 32 I HN 0.173 nan 8.210 nan 0.000 0.424 33 G N -0.029 108.740 108.800 -0.052 0.000 2.470 33 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 33 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 33 G C 1.723 176.645 174.900 0.036 0.000 1.121 33 G CA 0.219 45.332 45.100 0.022 0.000 0.766 33 G HN 0.346 nan 8.290 nan 0.000 0.553 34 R N -0.466 120.043 120.500 0.016 0.000 2.339 34 R HA 0.181 4.521 4.340 -0.000 0.000 0.199 34 R C 0.773 177.098 176.300 0.041 0.000 1.018 34 R CA 0.242 56.357 56.100 0.026 0.000 1.036 34 R CB -0.133 30.174 30.300 0.011 0.000 0.899 34 R HN 0.405 nan 8.270 nan 0.000 0.473 35 M N -0.329 119.305 119.600 0.058 0.000 2.649 35 M HA 0.298 4.778 4.480 -0.000 0.000 0.294 35 M C -0.159 176.222 176.300 0.135 0.000 1.206 35 M CA -0.483 54.878 55.300 0.102 0.000 0.928 35 M CB 1.500 34.183 32.600 0.138 0.000 1.571 35 M HN -0.195 nan 8.290 nan 0.000 0.501 36 E N 0.709 120.993 120.200 0.140 0.000 2.199 36 E HA 0.593 4.943 4.350 -0.000 0.000 0.265 36 E C -1.540 175.106 176.600 0.076 0.000 0.882 36 E CA -0.488 55.974 56.400 0.104 0.000 0.759 36 E CB 2.190 31.924 29.700 0.057 0.000 1.148 36 E HN 0.770 nan 8.360 nan 0.000 0.412 37 A N 2.594 125.432 122.820 0.029 0.000 2.302 37 A HA 0.796 5.116 4.320 -0.000 0.000 0.285 37 A C -0.669 176.815 177.584 -0.167 0.000 1.105 37 A CA 0.047 51.953 52.037 -0.219 0.000 0.816 37 A CB 1.079 19.942 19.000 -0.227 0.000 1.067 37 A HN 0.595 nan 8.150 nan 0.000 0.489 38 A N 0.698 123.378 122.820 -0.233 0.000 2.574 38 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 38 A C -1.011 176.511 177.584 -0.102 0.000 1.062 38 A CA -0.285 51.679 52.037 -0.121 0.000 0.686 38 A CB 1.015 19.971 19.000 -0.074 0.000 1.285 38 A HN 2.201 nan 8.150 nan 0.000 0.403 39 L N -1.471 119.727 121.223 -0.043 0.000 2.671 39 L HA 0.990 5.330 4.340 -0.000 0.000 0.259 39 L C -1.286 175.582 176.870 -0.004 0.000 1.021 39 L CA -0.548 54.301 54.840 0.015 0.000 0.871 39 L CB 2.103 44.201 42.059 0.064 0.000 1.472 39 L HN 0.503 nan 8.230 nan 0.000 0.410 40 D N 0.065 120.480 120.400 0.025 0.000 2.375 40 D HA 0.515 5.155 4.640 -0.000 0.000 0.241 40 D C -2.168 174.163 176.300 0.052 0.000 1.361 40 D CA 0.144 54.151 54.000 0.011 0.000 0.995 40 D CB 0.985 41.802 40.800 0.028 0.000 1.312 40 D HN 0.678 nan 8.370 nan 0.000 0.576 41 Y N 3.064 123.225 120.300 -0.232 0.000 2.399 41 Y HA 0.432 4.982 4.550 0.000 0.000 0.327 41 Y C -2.665 173.114 175.900 -0.202 0.000 1.111 41 Y CA -1.926 56.017 58.100 -0.262 0.000 1.047 41 Y CB 1.918 39.987 38.460 -0.651 0.000 1.259 41 Y HN 0.190 nan 8.280 nan 0.000 0.434 42 P HA 0.248 nan 4.420 nan 0.000 0.264 42 P C 0.563 177.715 177.300 -0.247 0.000 1.193 42 P CA 2.118 65.020 63.100 -0.331 0.000 0.763 42 P CB 0.710 32.204 31.700 -0.344 0.000 0.810 43 G N 1.296 110.029 108.800 -0.111 0.000 2.225 43 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 43 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 43 G C -0.017 174.890 174.900 0.011 0.000 0.988 43 G CA -0.083 44.999 45.100 -0.031 0.000 0.625 43 G HN 0.544 nan 8.290 nan 0.000 0.527 44 V N 1.346 121.253 119.914 -0.012 0.000 2.398 44 V HA 0.658 4.778 4.120 -0.000 0.000 0.286 44 V C 0.526 176.579 176.094 -0.068 0.000 1.026 44 V CA -0.682 61.595 62.300 -0.039 0.000 0.868 44 V CB 1.591 33.316 31.823 -0.162 0.000 0.982 44 V HN 0.451 nan 8.190 nan 0.000 0.443 45 R N 4.811 125.286 120.500 -0.041 0.000 2.338 45 R HA 0.489 4.829 4.340 -0.000 0.000 0.317 45 R C -1.032 175.249 176.300 -0.033 0.000 0.968 45 R CA -0.730 55.348 56.100 -0.038 0.000 0.849 45 R CB 1.220 31.506 30.300 -0.024 0.000 1.128 45 R HN 0.613 nan 8.270 nan 0.000 0.448 46 L N 7.084 128.286 121.223 -0.035 0.000 2.278 46 L HA 0.143 4.483 4.340 -0.000 0.000 0.287 46 L C 0.550 177.415 176.870 -0.010 0.000 1.072 46 L CA 0.359 55.185 54.840 -0.023 0.000 0.819 46 L CB 1.499 43.540 42.059 -0.030 0.000 1.176 46 L HN 0.692 nan 8.230 nan 0.000 0.435 47 V N 4.165 124.080 119.914 0.001 0.000 2.270 47 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 47 V C 0.801 176.902 176.094 0.012 0.000 1.043 47 V CA 1.473 63.777 62.300 0.007 0.000 1.014 47 V CB -0.455 31.377 31.823 0.014 0.000 0.645 47 V HN 1.091 nan 8.190 nan 0.000 0.447 48 S N -2.036 113.677 115.700 0.021 0.000 3.071 48 S HA 0.017 4.487 4.470 -0.000 0.000 0.231 48 S C -3.074 171.550 174.600 0.040 0.000 0.564 48 S CA -1.343 56.873 58.200 0.026 0.000 1.084 48 S CB -1.433 61.777 63.200 0.018 0.000 0.913 48 S HN 0.212 nan 8.310 nan 0.000 0.609 49 P HA 0.379 nan 4.420 nan 0.000 0.265 49 P C -0.408 176.932 177.300 0.067 0.000 1.193 49 P CA 0.088 63.232 63.100 0.074 0.000 0.765 49 P CB 0.421 32.168 31.700 0.079 0.000 0.823 50 T N 3.285 117.887 114.554 0.080 0.000 2.788 50 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 50 T C 0.147 174.903 174.700 0.093 0.000 1.009 50 T CA -0.906 61.232 62.100 0.064 0.000 0.949 50 T CB 0.440 69.331 68.868 0.038 0.000 0.946 50 T HN 0.306 nan 8.240 nan 0.000 0.453 51 R N 1.394 121.944 120.500 0.083 0.000 2.531 51 R HA 0.694 5.034 4.340 -0.000 0.000 0.273 51 R C -0.047 176.312 176.300 0.100 0.000 1.070 51 R CA -0.931 55.232 56.100 0.105 0.000 1.112 51 R CB 0.050 30.400 30.300 0.083 0.000 1.049 51 R HN 0.427 nan 8.270 nan 0.000 0.508 52 V N -1.752 118.245 119.914 0.138 0.000 2.667 52 V HA 0.471 4.591 4.120 -0.000 0.000 0.308 52 V C -1.974 174.178 176.094 0.096 0.000 1.048 52 V CA -2.233 60.135 62.300 0.114 0.000 0.928 52 V CB 1.779 33.704 31.823 0.171 0.000 1.004 52 V HN 0.627 nan 8.190 nan 0.000 0.444 53 P HA -0.097 nan 4.420 nan 0.000 0.218 53 P C 0.466 177.811 177.300 0.076 0.000 1.148 53 P CA 1.027 64.163 63.100 0.059 0.000 0.822 53 P CB -0.051 31.674 31.700 0.042 0.000 0.784 54 N N 0.311 119.071 118.700 0.099 0.000 2.416 54 N HA 0.086 4.826 4.740 -0.000 0.000 0.265 54 N C 1.006 176.608 175.510 0.153 0.000 1.195 54 N CA 0.196 53.332 53.050 0.142 0.000 0.943 54 N CB 0.573 39.184 38.487 0.206 0.000 1.115 54 N HN -0.089 nan 8.380 nan 0.000 0.481 55 A N 4.056 126.934 122.820 0.095 0.000 2.178 55 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 55 A C 1.290 178.880 177.584 0.010 0.000 1.157 55 A CA 0.890 52.958 52.037 0.051 0.000 0.689 55 A CB -0.100 18.916 19.000 0.026 0.000 0.787 55 A HN 0.686 nan 8.150 nan 0.000 0.465 56 N N -1.370 117.344 118.700 0.024 0.000 2.336 56 N HA 0.160 4.900 4.740 -0.000 0.000 0.189 56 N C -1.095 174.192 175.510 -0.372 0.000 1.113 56 N CA 0.411 53.357 53.050 -0.173 0.000 0.858 56 N CB 0.118 38.491 38.487 -0.189 0.000 0.970 56 N HN 0.562 nan 8.380 nan 0.000 0.471 57 Y N -0.252 120.032 120.300 -0.028 0.000 2.492 57 Y HA 0.516 5.066 4.550 -0.000 0.000 0.346 57 Y C -0.703 175.110 175.900 -0.146 0.000 0.997 57 Y CA -1.107 56.923 58.100 -0.118 0.000 1.025 57 Y CB 2.045 40.404 38.460 -0.168 0.000 1.263 57 Y HN -0.228 nan 8.280 nan 0.000 0.454 58 L N 3.343 124.500 121.223 -0.110 0.000 2.410 58 L HA 0.649 4.989 4.340 -0.000 0.000 0.270 58 L C -1.996 174.754 176.870 -0.200 0.000 0.983 58 L CA -0.784 54.025 54.840 -0.051 0.000 0.822 58 L CB 0.942 42.986 42.059 -0.024 0.000 1.285 58 L HN 0.439 nan 8.230 nan 0.000 0.409 59 F N 4.783 124.794 119.950 0.103 0.000 2.404 59 F HA 0.574 5.101 4.527 -0.000 0.000 0.354 59 F C 0.018 175.869 175.800 0.085 0.000 1.122 59 F CA -0.646 57.410 58.000 0.094 0.000 1.080 59 F CB 1.669 40.720 39.000 0.086 0.000 1.131 59 F HN 0.092 nan 8.300 nan 0.000 0.471 60 V N 3.562 123.592 119.914 0.195 0.000 2.357 60 V HA 0.269 4.389 4.120 -0.000 0.000 0.284 60 V C -0.563 175.582 176.094 0.086 0.000 1.018 60 V CA -0.919 61.459 62.300 0.131 0.000 0.841 60 V CB 1.326 33.214 31.823 0.108 0.000 0.991 60 V HN 0.545 nan 8.190 nan 0.000 0.437 61 D N 5.397 125.842 120.400 0.074 0.000 2.317 61 D HA 0.525 5.165 4.640 -0.000 0.000 0.234 61 D C -0.571 175.736 176.300 0.011 0.000 1.112 61 D CA -0.213 53.814 54.000 0.045 0.000 0.840 61 D CB 2.183 43.015 40.800 0.054 0.000 1.078 61 D HN 0.168 nan 8.370 nan 0.000 0.486 62 L N 2.184 123.400 121.223 -0.012 0.000 2.334 62 L HA 0.329 4.669 4.340 -0.000 0.000 0.273 62 L C 0.376 177.242 176.870 -0.008 0.000 1.013 62 L CA -0.656 54.172 54.840 -0.019 0.000 0.816 62 L CB 1.559 43.595 42.059 -0.039 0.000 1.278 62 L HN 0.101 nan 8.230 nan 0.000 0.431 63 E N 3.201 123.399 120.200 -0.003 0.000 2.185 63 E HA 0.429 4.779 4.350 -0.000 0.000 0.261 63 E C -0.931 175.686 176.600 0.028 0.000 0.879 63 E CA -0.182 56.218 56.400 0.002 0.000 0.756 63 E CB 2.103 31.794 29.700 -0.014 0.000 1.152 63 E HN 0.417 nan 8.360 nan 0.000 0.416 64 I N 2.423 123.036 120.570 0.071 0.000 2.287 64 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 64 I C 1.073 177.253 176.117 0.105 0.000 1.069 64 I CA -0.519 60.858 61.300 0.127 0.000 1.237 64 I CB 1.100 39.245 38.000 0.242 0.000 1.418 64 I HN 0.360 nan 8.210 nan 0.000 0.481 65 G N 6.961 115.804 108.800 0.072 0.000 2.636 65 G HA2 0.188 4.148 3.960 -0.000 0.000 0.246 65 G HA3 0.188 4.148 3.960 -0.000 0.000 0.246 65 G C -1.365 173.576 174.900 0.069 0.000 1.216 65 G CA -0.895 44.235 45.100 0.049 0.000 0.854 65 G HN 0.439 nan 8.290 nan 0.000 0.572 66 P HA -0.097 nan 4.420 nan 0.000 0.225 66 P C 1.267 178.600 177.300 0.054 0.000 1.148 66 P CA 1.057 64.191 63.100 0.055 0.000 0.779 66 P CB 0.280 32.001 31.700 0.034 0.000 0.780 67 E N 0.177 120.401 120.200 0.040 0.000 2.442 67 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 67 E C 0.640 177.261 176.600 0.034 0.000 1.030 67 E CA -0.043 56.372 56.400 0.026 0.000 0.869 67 E CB -0.654 29.046 29.700 0.001 0.000 0.857 67 E HN 0.029 nan 8.360 nan 0.000 0.505 68 A N 2.120 124.985 122.820 0.075 0.000 2.520 68 A HA 0.110 4.430 4.320 -0.000 0.000 0.245 68 A C 0.176 177.868 177.584 0.180 0.000 1.072 68 A CA -0.135 51.983 52.037 0.136 0.000 0.761 68 A CB 0.279 19.416 19.000 0.229 0.000 1.004 68 A HN 0.124 nan 8.150 nan 0.000 0.499 69 Q N 1.401 121.320 119.800 0.198 0.000 2.215 69 Q HA 0.449 4.789 4.340 -0.000 0.000 0.256 69 Q C -2.477 173.717 176.000 0.324 0.000 0.972 69 Q CA -2.131 53.794 55.803 0.203 0.000 0.889 69 Q CB 0.422 29.230 28.738 0.115 0.000 1.281 69 Q HN 0.469 nan 8.270 nan 0.000 0.456 70 P HA 0.248 nan 4.420 nan 0.000 0.265 70 P C -0.214 177.247 177.300 0.267 0.000 1.187 70 P CA 0.462 63.696 63.100 0.223 0.000 0.766 70 P CB 0.475 32.263 31.700 0.147 0.000 0.820 71 G N 0.393 109.321 108.800 0.213 0.000 2.367 71 G HA2 0.463 4.423 3.960 -0.000 0.000 0.272 71 G HA3 0.463 4.423 3.960 -0.000 0.000 0.272 71 G C -1.458 173.460 174.900 0.030 0.000 1.271 71 G CA -0.049 45.166 45.100 0.193 0.000 0.893 71 G HN 0.713 nan 8.290 nan 0.000 0.485 72 S N -1.189 114.521 115.700 0.017 0.000 2.588 72 S HA 0.931 5.401 4.470 -0.000 0.000 0.275 72 S C -1.033 173.559 174.600 -0.013 0.000 1.130 72 S CA -0.380 57.739 58.200 -0.136 0.000 0.855 72 S CB 2.125 65.234 63.200 -0.153 0.000 1.116 72 S HN 2.131 nan 8.310 nan 0.000 0.472 73 F N -1.334 118.534 119.950 -0.137 0.000 2.665 73 F HA 0.663 5.190 4.527 0.000 0.000 0.308 73 F C -1.417 174.397 175.800 0.024 0.000 1.112 73 F CA -1.024 56.947 58.000 -0.048 0.000 0.972 73 F CB 0.601 39.538 39.000 -0.106 0.000 1.295 73 F HN 0.389 nan 8.300 nan 0.000 0.440 74 D N 2.966 123.484 120.400 0.197 0.000 2.350 74 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 74 D C -0.089 176.322 176.300 0.185 0.000 1.119 74 D CA 0.296 54.370 54.000 0.123 0.000 0.886 74 D CB 1.802 42.651 40.800 0.083 0.000 1.195 74 D HN 0.535 nan 8.370 nan 0.000 0.437 75 I N 2.065 122.707 120.570 0.120 0.000 2.321 75 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 75 I C -0.172 175.802 176.117 -0.238 0.000 0.998 75 I CA -0.829 60.440 61.300 -0.051 0.000 1.227 75 I CB 1.532 39.492 38.000 -0.068 0.000 1.368 75 I HN -0.116 nan 8.210 nan 0.000 0.466 76 V N 7.016 126.720 119.914 -0.350 0.000 2.459 76 V HA 0.431 4.551 4.120 -0.000 0.000 0.295 76 V C -0.573 175.267 176.094 -0.423 0.000 1.029 76 V CA -0.534 61.620 62.300 -0.244 0.000 0.874 76 V CB 1.492 33.273 31.823 -0.071 0.000 0.985 76 V HN 0.369 nan 8.190 nan 0.000 0.438 77 F N 3.490 123.460 119.950 0.034 0.000 2.467 77 F HA 0.653 5.180 4.527 0.000 0.000 0.336 77 F C 0.325 176.132 175.800 0.012 0.000 1.123 77 F CA -0.627 57.385 58.000 0.019 0.000 0.964 77 F CB 1.631 40.634 39.000 0.006 0.000 1.136 77 F HN 0.246 nan 8.300 nan 0.000 0.447 78 K N 1.906 122.398 120.400 0.153 0.000 2.422 78 K HA 0.881 5.201 4.320 -0.000 0.000 0.251 78 K C -0.473 176.172 176.600 0.076 0.000 0.933 78 K CA -1.152 55.190 56.287 0.091 0.000 0.798 78 K CB 2.767 35.297 32.500 0.051 0.000 1.238 78 K HN 0.884 nan 8.250 nan 0.000 0.428 79 G N 0.836 109.669 108.800 0.055 0.000 2.340 79 G HA2 0.122 4.082 3.960 -0.000 0.000 0.300 79 G HA3 0.122 4.082 3.960 -0.000 0.000 0.300 79 G C -1.440 173.477 174.900 0.028 0.000 1.488 79 G CA -0.876 44.248 45.100 0.041 0.000 0.878 79 G HN 0.600 nan 8.290 nan 0.000 0.618 80 D N -0.833 119.580 120.400 0.021 0.000 2.701 80 D HA -0.150 4.489 4.640 -0.000 0.000 0.235 80 D C 1.726 178.033 176.300 0.012 0.000 1.155 80 D CA 2.873 56.881 54.000 0.013 0.000 0.649 80 D CB -1.264 39.541 40.800 0.008 0.000 1.050 80 D HN 2.333 nan 8.370 nan 0.000 0.425 81 G N -0.168 108.641 108.800 0.014 0.000 2.196 81 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.268 81 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.268 81 G C 0.441 175.349 174.900 0.014 0.000 0.975 81 G CA 1.211 46.319 45.100 0.013 0.000 0.648 81 G HN 0.844 nan 8.290 nan 0.000 0.538 82 R N -0.929 119.581 120.500 0.017 0.000 2.856 82 R HA 0.820 5.160 4.340 -0.000 0.000 0.258 82 R C -0.282 176.039 176.300 0.035 0.000 1.066 82 R CA -0.087 56.024 56.100 0.019 0.000 1.045 82 R CB 1.802 32.107 30.300 0.009 0.000 1.178 82 R HN 0.824 nan 8.270 nan 0.000 0.499 83 S N 0.123 115.848 115.700 0.041 0.000 2.543 83 S HA 0.410 4.880 4.470 -0.000 0.000 0.271 83 S C -1.181 173.469 174.600 0.083 0.000 1.148 83 S CA -1.018 57.223 58.200 0.070 0.000 0.914 83 S CB 2.146 65.381 63.200 0.057 0.000 1.096 83 S HN 0.650 nan 8.310 nan 0.000 0.471 84 E N 1.746 122.036 120.200 0.151 0.000 2.263 84 E HA 0.624 4.974 4.350 -0.000 0.000 0.264 84 E C -0.339 176.437 176.600 0.295 0.000 0.923 84 E CA -0.811 55.694 56.400 0.174 0.000 0.802 84 E CB 2.319 32.086 29.700 0.113 0.000 1.228 84 E HN 0.870 nan 8.360 nan 0.000 0.417 85 R N 0.183 120.830 120.500 0.245 0.000 2.771 85 R HA 0.603 4.943 4.340 -0.000 0.000 0.274 85 R C -1.688 174.795 176.300 0.305 0.000 0.987 85 R CA -0.876 55.379 56.100 0.258 0.000 0.908 85 R CB 1.415 31.786 30.300 0.118 0.000 1.213 85 R HN 0.557 nan 8.270 nan 0.000 0.468 86 Y N 1.248 121.661 120.300 0.187 0.000 2.386 86 Y HA 0.426 4.976 4.550 -0.000 0.000 0.334 86 Y C -1.018 174.911 175.900 0.048 0.000 1.002 86 Y CA -1.170 57.006 58.100 0.127 0.000 1.068 86 Y CB 1.857 40.452 38.460 0.225 0.000 1.203 86 Y HN 0.766 nan 8.280 nan 0.000 0.443 87 R N 4.989 125.269 120.500 -0.366 0.000 2.248 87 R HA 0.196 4.536 4.340 -0.000 0.000 0.337 87 R C -2.058 174.014 176.300 -0.380 0.000 1.085 87 R CA -0.022 55.893 56.100 -0.309 0.000 0.934 87 R CB -0.614 29.503 30.300 -0.305 0.000 1.034 87 R HN 0.665 nan 8.270 nan 0.000 0.465 88 Y N 3.472 123.537 120.300 -0.391 0.000 2.327 88 Y HA 0.347 4.897 4.550 0.000 0.000 0.336 88 Y C 0.128 175.650 175.900 -0.631 0.000 1.035 88 Y CA -0.357 57.477 58.100 -0.444 0.000 1.165 88 Y CB 0.727 38.807 38.460 -0.633 0.000 1.181 88 Y HN 0.493 nan 8.280 nan 0.000 0.494 89 R N 6.077 126.210 120.500 -0.611 0.000 2.393 89 R HA 0.528 4.868 4.340 -0.000 0.000 0.310 89 R C -1.772 174.430 176.300 -0.163 0.000 0.968 89 R CA -0.579 55.309 56.100 -0.355 0.000 0.867 89 R CB 0.666 30.757 30.300 -0.348 0.000 1.124 89 R HN 0.768 nan 8.270 nan 0.000 0.450 90 L N 6.227 127.443 121.223 -0.012 0.000 2.262 90 L HA 0.329 4.669 4.340 -0.000 0.000 0.288 90 L C -0.712 176.160 176.870 0.003 0.000 1.035 90 L CA -0.983 53.926 54.840 0.115 0.000 0.820 90 L CB 1.111 43.350 42.059 0.299 0.000 1.204 90 L HN 0.443 nan 8.230 nan 0.000 0.424 91 L N 2.800 123.920 121.223 -0.171 0.000 2.453 91 L HA 0.439 4.779 4.340 -0.000 0.000 0.261 91 L C 0.736 177.684 176.870 0.130 0.000 1.179 91 L CA 0.230 54.991 54.840 -0.131 0.000 0.813 91 L CB 0.688 42.540 42.059 -0.345 0.000 1.110 91 L HN 0.607 nan 8.230 nan 0.000 0.466 92 A N 2.433 125.343 122.820 0.150 0.000 2.363 92 A HA 0.477 4.796 4.320 -0.000 0.000 0.270 92 A C 0.220 177.969 177.584 0.276 0.000 1.121 92 A CA -0.503 51.650 52.037 0.192 0.000 0.800 92 A CB 0.017 19.089 19.000 0.120 0.000 1.052 92 A HN 0.679 nan 8.150 nan 0.000 0.493 93 R N 2.004 122.651 120.500 0.245 0.000 2.490 93 R HA 0.192 4.531 4.340 -0.000 0.000 0.280 93 R C -0.276 176.075 176.300 0.084 0.000 1.077 93 R CA -0.548 55.644 56.100 0.152 0.000 1.065 93 R CB 0.563 30.891 30.300 0.045 0.000 1.003 93 R HN 0.681 nan 8.270 nan 0.000 0.470 94 E N 2.476 122.706 120.200 0.050 0.000 2.437 94 E HA -0.083 4.267 4.350 -0.000 0.000 0.263 94 E C 0.061 176.668 176.600 0.012 0.000 1.030 94 E CA 0.256 56.672 56.400 0.025 0.000 0.934 94 E CB 0.460 30.161 29.700 0.002 0.000 0.943 94 E HN 0.269 nan 8.360 nan 0.000 0.444 95 Q N 0.092 119.898 119.800 0.011 0.000 2.300 95 Q HA 0.141 4.481 4.340 -0.000 0.000 0.280 95 Q C 0.939 176.938 176.000 -0.002 0.000 1.033 95 Q CA 1.004 56.811 55.803 0.007 0.000 0.903 95 Q CB 0.714 29.456 28.738 0.006 0.000 1.195 95 Q HN 0.853 nan 8.270 nan 0.000 0.386 96 G N 2.242 111.041 108.800 -0.001 0.000 2.159 96 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.256 96 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.256 96 G C 1.054 175.953 174.900 -0.002 0.000 0.977 96 G CA 0.795 45.893 45.100 -0.004 0.000 0.652 96 G HN 0.598 nan 8.290 nan 0.000 0.531 97 S N 0.168 115.867 115.700 -0.003 0.000 2.353 97 S HA 0.028 4.498 4.470 -0.000 0.000 0.222 97 S C 2.836 177.484 174.600 0.080 0.000 1.035 97 S CA 2.310 60.513 58.200 0.005 0.000 1.025 97 S CB -0.407 62.775 63.200 -0.031 0.000 0.902 97 S HN 1.714 nan 8.310 nan 0.000 0.440 98 A N 0.053 122.903 122.820 0.051 0.000 1.969 98 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 98 A C 2.044 179.680 177.584 0.086 0.000 1.169 98 A CA 1.700 53.770 52.037 0.054 0.000 0.635 98 A CB -0.662 18.306 19.000 -0.055 0.000 0.810 98 A HN 0.598 nan 8.150 nan 0.000 0.445 99 Q N 0.278 120.103 119.800 0.042 0.000 2.365 99 Q HA 0.029 4.369 4.340 -0.000 0.000 0.203 99 Q C 0.607 176.616 176.000 0.016 0.000 0.929 99 Q CA -0.155 55.662 55.803 0.023 0.000 0.948 99 Q CB -0.352 28.388 28.738 0.003 0.000 1.043 99 Q HN 0.732 nan 8.270 nan 0.000 0.505 100 R N 0.164 120.678 120.500 0.024 0.000 2.566 100 R HA -0.059 4.281 4.340 -0.000 0.000 0.273 100 R C -0.271 176.009 176.300 -0.033 0.000 0.981 100 R CA -0.083 56.004 56.100 -0.021 0.000 1.091 100 R CB 0.123 30.384 30.300 -0.065 0.000 0.924 100 R HN -0.082 nan 8.270 nan 0.000 0.411 101 Q N 2.603 122.377 119.800 -0.042 0.000 2.307 101 Q HA 0.252 4.592 4.340 -0.000 0.000 0.259 101 Q C -0.159 175.801 176.000 -0.068 0.000 0.998 101 Q CA 0.285 56.057 55.803 -0.053 0.000 0.923 101 Q CB 1.333 30.044 28.738 -0.045 0.000 1.196 101 Q HN 0.788 nan 8.270 nan 0.000 0.416 102 G N 3.261 111.994 108.800 -0.111 0.000 2.636 102 G HA2 0.275 4.235 3.960 -0.000 0.000 0.246 102 G HA3 0.275 4.235 3.960 -0.000 0.000 0.246 102 G C -0.482 174.330 174.900 -0.147 0.000 1.216 102 G CA -0.530 44.463 45.100 -0.179 0.000 0.854 102 G HN 0.747 nan 8.290 nan 0.000 0.572 103 F N -0.205 119.710 119.950 -0.058 0.000 2.595 103 F HA 0.546 5.073 4.527 0.000 0.000 0.359 103 F C 0.638 176.400 175.800 -0.063 0.000 1.147 103 F CA -0.383 57.584 58.000 -0.056 0.000 1.341 103 F CB 0.342 39.318 39.000 -0.040 0.000 1.104 103 F HN 0.644 nan 8.300 nan 0.000 0.603 104 G N 1.503 110.354 108.800 0.086 0.000 2.749 104 G HA2 0.487 4.447 3.960 -0.000 0.000 0.300 104 G HA3 0.487 4.447 3.960 -0.000 0.000 0.300 104 G C -2.781 172.109 174.900 -0.017 0.000 1.352 104 G CA -1.245 43.843 45.100 -0.020 0.000 0.789 104 G HN 0.272 nan 8.290 nan 0.000 0.509 105 P HA -0.023 nan 4.420 nan 0.000 0.218 105 P C 1.792 178.943 177.300 -0.249 0.000 1.146 105 P CA 1.783 64.833 63.100 -0.083 0.000 0.813 105 P CB 0.161 31.832 31.700 -0.048 0.000 0.778 106 G N -1.612 106.927 108.800 -0.435 0.000 2.744 106 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.211 106 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.211 106 G C 0.427 175.044 174.900 -0.471 0.000 1.143 106 G CA 0.110 44.631 45.100 -0.966 0.000 0.788 106 G HN 0.223 nan 8.290 nan 0.000 0.534 107 D N 0.077 120.359 120.400 -0.196 0.000 2.340 107 D HA 0.568 5.208 4.640 -0.000 0.000 0.251 107 D C -0.238 176.062 176.300 -0.000 0.000 1.080 107 D CA 0.074 54.041 54.000 -0.055 0.000 0.971 107 D CB 1.911 42.742 40.800 0.053 0.000 1.137 107 D HN 0.108 nan 8.370 nan 0.000 0.475 108 A N 1.261 124.122 122.820 0.068 0.000 2.398 108 A HA 0.567 4.887 4.320 -0.000 0.000 0.301 108 A C -0.662 177.151 177.584 0.383 0.000 1.041 108 A CA -0.629 51.527 52.037 0.198 0.000 0.711 108 A CB 0.788 19.832 19.000 0.074 0.000 1.240 108 A HN 0.460 nan 8.150 nan 0.000 0.420 109 I N 1.882 122.665 120.570 0.354 0.000 2.359 109 I HA 0.266 4.436 4.170 -0.000 0.000 0.294 109 I C -0.849 175.399 176.117 0.217 0.000 0.987 109 I CA -0.528 60.914 61.300 0.237 0.000 1.225 109 I CB 1.313 39.352 38.000 0.065 0.000 1.366 109 I HN 0.713 nan 8.210 nan 0.000 0.466 110 Y N 6.333 126.561 120.300 -0.120 0.000 2.331 110 Y HA 0.295 4.845 4.550 -0.000 0.000 0.338 110 Y C -0.109 175.644 175.900 -0.245 0.000 0.976 110 Y CA -0.327 57.516 58.100 -0.428 0.000 1.137 110 Y CB 0.994 39.077 38.460 -0.628 0.000 1.172 110 Y HN 0.510 nan 8.280 nan 0.000 0.478 111 Q N 7.693 127.176 119.800 -0.527 0.000 2.257 111 Q HA 0.583 4.923 4.340 -0.000 0.000 0.255 111 Q C -1.129 174.439 176.000 -0.720 0.000 0.920 111 Q CA -0.769 54.666 55.803 -0.613 0.000 0.927 111 Q CB 1.091 29.422 28.738 -0.679 0.000 1.229 111 Q HN 0.865 nan 8.270 nan 0.000 0.433 112 I N -0.067 120.110 120.570 -0.656 0.000 2.892 112 I HA 0.523 4.693 4.170 -0.000 0.000 0.306 112 I C -0.905 174.994 176.117 -0.363 0.000 1.078 112 I CA -1.340 59.646 61.300 -0.523 0.000 1.032 112 I CB 2.330 39.940 38.000 -0.650 0.000 1.229 112 I HN 0.530 nan 8.210 nan 0.000 0.435 113 M N 4.210 123.733 119.600 -0.128 0.000 2.088 113 M HA 0.336 4.816 4.480 -0.000 0.000 0.346 113 M C -1.774 174.555 176.300 0.049 0.000 1.111 113 M CA -1.595 53.677 55.300 -0.046 0.000 1.017 113 M CB 1.561 34.240 32.600 0.133 0.000 1.568 113 M HN 0.437 nan 8.290 nan 0.000 0.445 114 P HA -0.213 nan 4.420 nan 0.000 0.216 114 P C 0.708 178.149 177.300 0.236 0.000 1.150 114 P CA 1.644 64.715 63.100 -0.048 0.000 0.843 114 P CB 0.116 31.503 31.700 -0.521 0.000 0.787 115 D N -0.965 119.666 120.400 0.385 0.000 2.264 115 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 115 D C 1.560 178.186 176.300 0.543 0.000 0.966 115 D CA 0.820 55.142 54.000 0.537 0.000 0.864 115 D CB -0.001 41.109 40.800 0.518 0.000 0.933 115 D HN -0.104 nan 8.370 nan 0.000 0.499 116 R N -0.860 119.936 120.500 0.493 0.000 2.397 116 R HA 0.131 4.471 4.340 -0.000 0.000 0.241 116 R C 0.904 177.635 176.300 0.718 0.000 0.914 116 R CA -0.152 56.284 56.100 0.559 0.000 1.071 116 R CB -0.417 30.075 30.300 0.321 0.000 1.116 116 R HN 0.260 nan 8.270 nan 0.000 0.524 117 F N 0.761 120.951 119.950 0.401 0.000 2.202 117 F HA 0.480 5.007 4.527 -0.000 0.000 0.279 117 F C -0.058 175.900 175.800 0.265 0.000 1.077 117 F CA 0.024 58.195 58.000 0.285 0.000 1.193 117 F CB 0.165 39.226 39.000 0.102 0.000 1.090 117 F HN -0.117 nan 8.300 nan 0.000 0.516 118 A N 0.741 123.474 122.820 -0.145 0.000 2.437 118 A HA 0.430 4.750 4.320 -0.000 0.000 0.293 118 A C -1.494 175.774 177.584 -0.527 0.000 1.038 118 A CA -0.613 51.146 52.037 -0.463 0.000 0.708 118 A CB 0.401 19.163 19.000 -0.396 0.000 1.251 118 A HN 0.255 nan 8.150 nan 0.000 0.409 119 N N 2.234 120.356 118.700 -0.964 0.000 2.719 119 N HA 0.277 5.017 4.740 -0.000 0.000 0.243 119 N C 1.135 176.420 175.510 -0.375 0.000 1.104 119 N CA 0.431 53.050 53.050 -0.718 0.000 0.981 119 N CB 0.877 38.670 38.487 -1.157 0.000 1.290 119 N HN 0.724 nan 8.380 nan 0.000 0.513 120 G N 1.038 109.715 108.800 -0.205 0.000 2.572 120 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 120 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 120 G C 0.079 174.925 174.900 -0.090 0.000 1.133 120 G CA 0.177 45.198 45.100 -0.131 0.000 0.791 120 G HN 0.546 nan 8.290 nan 0.000 0.538 121 D N -1.070 119.285 120.400 -0.076 0.000 2.330 121 D HA 0.306 4.946 4.640 -0.000 0.000 0.249 121 D C -2.148 174.136 176.300 -0.028 0.000 1.306 121 D CA -1.822 52.156 54.000 -0.037 0.000 0.956 121 D CB 1.794 42.587 40.800 -0.011 0.000 1.261 121 D HN -0.118 nan 8.370 nan 0.000 0.544 122 P HA -0.095 nan 4.420 nan 0.000 0.225 122 P C 1.302 178.613 177.300 0.020 0.000 1.148 122 P CA 0.789 63.893 63.100 0.007 0.000 0.779 122 P CB 0.244 31.957 31.700 0.022 0.000 0.780 123 S N 0.030 115.737 115.700 0.011 0.000 2.481 123 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 123 S C 1.471 176.079 174.600 0.013 0.000 0.996 123 S CA 0.915 59.123 58.200 0.013 0.000 0.942 123 S CB -1.225 61.981 63.200 0.009 0.000 0.768 123 S HN 0.190 nan 8.310 nan 0.000 0.520 124 N N 0.657 119.365 118.700 0.014 0.000 2.230 124 N HA 0.123 4.863 4.740 -0.000 0.000 0.202 124 N C 0.269 175.782 175.510 0.004 0.000 1.119 124 N CA 0.223 53.279 53.050 0.010 0.000 0.851 124 N CB -0.346 38.151 38.487 0.016 0.000 0.990 124 N HN 0.130 nan 8.380 nan 0.000 0.497 125 D N 0.377 120.790 120.400 0.022 0.000 2.149 125 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 125 D C -0.182 176.128 176.300 0.016 0.000 0.990 125 D CA 1.228 55.252 54.000 0.040 0.000 0.839 125 D CB -0.060 40.787 40.800 0.079 0.000 0.948 125 D HN 0.327 nan 8.370 nan 0.000 0.460 126 N N -0.325 118.381 118.700 0.010 0.000 2.314 126 N HA 0.367 5.107 4.740 -0.000 0.000 0.304 126 N C -1.032 174.473 175.510 -0.009 0.000 1.073 126 N CA -0.440 52.608 53.050 -0.002 0.000 0.822 126 N CB 2.923 41.413 38.487 0.005 0.000 1.280 126 N HN -0.249 nan 8.380 nan 0.000 0.489 127 V N 0.916 120.819 119.914 -0.018 0.000 2.531 127 V HA 0.493 4.613 4.120 -0.000 0.000 0.301 127 V C 0.169 176.254 176.094 -0.015 0.000 1.034 127 V CA -1.166 61.125 62.300 -0.015 0.000 0.865 127 V CB 1.499 33.310 31.823 -0.020 0.000 0.995 127 V HN 0.824 nan 8.190 nan 0.000 0.424 128 A N 3.532 126.346 122.820 -0.009 0.000 2.566 128 A HA 0.494 4.814 4.320 -0.000 0.000 0.245 128 A C 1.538 179.113 177.584 -0.014 0.000 1.056 128 A CA 1.071 53.102 52.037 -0.010 0.000 0.757 128 A CB -0.510 18.486 19.000 -0.007 0.000 0.979 128 A HN 2.247 nan 8.150 nan 0.000 0.508 129 G N 1.491 110.282 108.800 -0.016 0.000 2.254 129 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 129 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 129 G C 0.409 175.292 174.900 -0.029 0.000 1.003 129 G CA 0.256 45.344 45.100 -0.019 0.000 0.622 129 G HN 0.754 nan 8.290 nan 0.000 0.507 130 M N 0.180 119.760 119.600 -0.034 0.000 2.226 130 M HA 0.383 4.863 4.480 -0.000 0.000 0.324 130 M C 1.730 177.995 176.300 -0.059 0.000 1.112 130 M CA -0.079 55.191 55.300 -0.050 0.000 1.176 130 M CB 0.560 33.130 32.600 -0.051 0.000 1.430 130 M HN 0.139 nan 8.290 nan 0.000 0.462 131 R N 0.201 120.649 120.500 -0.087 0.000 2.210 131 R HA 0.071 4.411 4.340 -0.000 0.000 0.203 131 R C 0.215 176.474 176.300 -0.068 0.000 1.010 131 R CA 0.602 56.641 56.100 -0.101 0.000 1.008 131 R CB 0.274 30.457 30.300 -0.195 0.000 0.923 131 R HN 0.620 nan 8.270 nan 0.000 0.469 132 E N 0.835 121.002 120.200 -0.055 0.000 2.199 132 E HA 0.114 4.464 4.350 -0.000 0.000 0.269 132 E C -0.856 175.733 176.600 -0.018 0.000 0.899 132 E CA -0.613 55.768 56.400 -0.032 0.000 0.772 132 E CB 1.236 30.919 29.700 -0.027 0.000 1.155 132 E HN -0.131 nan 8.360 nan 0.000 0.408 133 Q N 1.343 121.140 119.800 -0.004 0.000 2.235 133 Q HA 0.419 4.759 4.340 -0.000 0.000 0.250 133 Q C -0.492 175.524 176.000 0.028 0.000 0.909 133 Q CA -0.479 55.328 55.803 0.007 0.000 0.910 133 Q CB 1.737 30.478 28.738 0.006 0.000 1.223 133 Q HN 0.634 nan 8.270 nan 0.000 0.432 134 A N 2.089 124.933 122.820 0.039 0.000 2.483 134 A HA 0.211 4.531 4.320 -0.000 0.000 0.238 134 A C -0.153 177.473 177.584 0.069 0.000 1.070 134 A CA 0.190 52.271 52.037 0.072 0.000 0.770 134 A CB 0.178 19.234 19.000 0.092 0.000 1.008 134 A HN 0.636 nan 8.150 nan 0.000 0.497 135 D N 0.447 120.903 120.400 0.093 0.000 2.354 135 D HA 0.155 4.795 4.640 -0.000 0.000 0.230 135 D C 0.639 176.940 176.300 0.002 0.000 1.361 135 D CA -0.462 53.570 54.000 0.054 0.000 0.992 135 D CB 0.682 41.531 40.800 0.081 0.000 1.409 135 D HN 0.546 nan 8.370 nan 0.000 0.573 136 R N 1.996 122.406 120.500 -0.150 0.000 2.189 136 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 136 R C 0.938 176.856 176.300 -0.637 0.000 1.092 136 R CA 0.971 56.729 56.100 -0.570 0.000 0.989 136 R CB 0.337 30.377 30.300 -0.433 0.000 0.876 136 R HN 0.030 nan 8.270 nan 0.000 0.457 137 R N -0.759 119.587 120.500 -0.257 0.000 2.317 137 R HA 0.104 4.444 4.340 -0.000 0.000 0.208 137 R C -0.386 175.915 176.300 0.001 0.000 0.914 137 R CA 0.257 56.270 56.100 -0.144 0.000 1.060 137 R CB -0.167 30.075 30.300 -0.097 0.000 1.015 137 R HN 0.306 nan 8.270 nan 0.000 0.498 138 H N -1.569 117.459 119.070 -0.071 0.000 2.519 138 H HA 0.222 4.778 4.556 -0.000 0.000 0.316 138 H C 0.994 176.372 175.328 0.083 0.000 1.065 138 H CA -0.375 55.672 56.048 -0.001 0.000 1.264 138 H CB 1.448 31.202 29.762 -0.012 0.000 1.413 138 H HN 0.233 nan 8.280 nan 0.000 0.465 139 G N 2.754 111.660 108.800 0.177 0.000 2.448 139 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 139 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 139 G C 1.304 176.063 174.900 -0.236 0.000 1.127 139 G CA 0.600 45.710 45.100 0.017 0.000 0.766 139 G HN 0.683 nan 8.290 nan 0.000 0.552 140 G N -0.164 108.322 108.800 -0.524 0.000 3.337 140 G HA2 0.486 4.446 3.960 -0.000 0.000 0.246 140 G HA3 0.486 4.446 3.960 -0.000 0.000 0.246 140 G C 0.645 175.100 174.900 -0.742 0.000 1.131 140 G CA 0.423 45.253 45.100 -0.450 0.000 0.773 140 G HN 0.592 nan 8.290 nan 0.000 0.544 141 G N -0.168 108.159 108.800 -0.789 0.000 2.522 141 G HA2 0.512 4.472 3.960 -0.000 0.000 0.304 141 G HA3 0.512 4.472 3.960 -0.000 0.000 0.304 141 G C -0.285 174.510 174.900 -0.174 0.000 1.210 141 G CA -1.013 43.911 45.100 -0.294 0.000 0.960 141 G HN 0.248 nan 8.290 nan 0.000 0.497 142 R N -0.476 120.053 120.500 0.048 0.000 2.298 142 R HA 0.218 4.558 4.340 -0.000 0.000 0.310 142 R C 0.334 176.810 176.300 0.294 0.000 1.068 142 R CA -0.145 56.030 56.100 0.125 0.000 0.957 142 R CB 0.744 31.106 30.300 0.104 0.000 1.003 142 R HN 0.739 nan 8.270 nan 0.000 0.454 143 H N 0.941 120.086 119.070 0.124 0.000 2.582 143 H HA 0.115 4.671 4.556 -0.000 0.000 0.269 143 H C 1.098 176.728 175.328 0.502 0.000 0.962 143 H CA 0.239 56.406 56.048 0.199 0.000 1.230 143 H CB 0.891 30.685 29.762 0.054 0.000 1.445 143 H HN 1.000 nan 8.280 nan 0.000 0.528 144 G N 0.808 109.932 108.800 0.538 0.000 2.159 144 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.170 144 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.170 144 G C 0.630 175.672 174.900 0.238 0.000 1.007 144 G CA -0.232 45.081 45.100 0.355 0.000 0.672 144 G HN 0.606 nan 8.290 nan 0.000 0.507 145 G N 0.272 109.291 108.800 0.365 0.000 2.554 145 G HA2 0.562 4.522 3.960 -0.000 0.000 0.238 145 G HA3 0.562 4.522 3.960 -0.000 0.000 0.238 145 G C 0.008 175.072 174.900 0.274 0.000 1.259 145 G CA 0.965 46.163 45.100 0.163 0.000 0.843 145 G HN 1.028 nan 8.290 nan 0.000 0.582 146 D N -0.537 119.971 120.400 0.180 0.000 2.677 146 D HA 0.214 4.854 4.640 -0.000 0.000 0.298 146 D C 1.043 177.445 176.300 0.169 0.000 1.250 146 D CA -0.891 53.269 54.000 0.268 0.000 0.888 146 D CB 0.424 41.327 40.800 0.171 0.000 1.397 146 D HN 0.197 nan 8.370 nan 0.000 0.461 147 I N -0.499 120.176 120.570 0.176 0.000 2.226 147 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 147 I C 2.614 178.778 176.117 0.077 0.000 1.100 147 I CA 0.977 62.354 61.300 0.129 0.000 1.374 147 I CB -0.214 37.884 38.000 0.163 0.000 1.057 147 I HN 0.414 nan 8.210 nan 0.000 0.413 148 R N 1.097 121.629 120.500 0.054 0.000 2.096 148 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 148 R C 2.315 178.592 176.300 -0.038 0.000 1.139 148 R CA 2.005 58.105 56.100 -0.000 0.000 0.952 148 R CB -0.666 29.628 30.300 -0.011 0.000 0.854 148 R HN 0.433 nan 8.270 nan 0.000 0.436 149 G N -1.037 107.745 108.800 -0.030 0.000 2.418 149 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 149 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 149 G C 1.325 176.247 174.900 0.037 0.000 1.158 149 G CA 1.220 46.287 45.100 -0.055 0.000 0.771 149 G HN 0.370 nan 8.290 nan 0.000 0.545 150 T N 1.324 115.966 114.554 0.145 0.000 2.737 150 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 150 T C 2.395 177.174 174.700 0.131 0.000 1.038 150 T CA 0.934 63.207 62.100 0.288 0.000 1.144 150 T CB -0.168 68.843 68.868 0.238 0.000 0.866 150 T HN 0.237 nan 8.240 nan 0.000 0.434 151 I N 1.428 122.016 120.570 0.029 0.000 2.208 151 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 151 I C 2.265 178.310 176.117 -0.120 0.000 1.097 151 I CA 1.241 62.521 61.300 -0.033 0.000 1.363 151 I CB -0.460 37.517 38.000 -0.039 0.000 1.051 151 I HN 0.146 nan 8.210 nan 0.000 0.413 152 D N -0.041 120.221 120.400 -0.231 0.000 2.228 152 D HA -0.192 4.448 4.640 -0.000 0.000 0.203 152 D C 1.546 177.409 176.300 -0.729 0.000 0.988 152 D CA 1.397 55.100 54.000 -0.496 0.000 0.864 152 D CB -0.214 40.167 40.800 -0.698 0.000 0.928 152 D HN 0.479 nan 8.370 nan 0.000 0.469 153 H N -0.778 118.155 119.070 -0.228 0.000 2.581 153 H HA 0.237 4.793 4.556 -0.000 0.000 0.275 153 H C 1.874 177.209 175.328 0.012 0.000 1.126 153 H CA -0.155 55.724 56.048 -0.283 0.000 1.097 153 H CB 0.446 29.718 29.762 -0.816 0.000 1.626 153 H HN 0.120 nan 8.280 nan 0.000 0.565 154 L N 0.131 121.388 121.223 0.056 0.000 2.083 154 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 154 L C 1.878 178.779 176.870 0.051 0.000 1.083 154 L CA 1.148 56.022 54.840 0.056 0.000 0.752 154 L CB -0.073 41.989 42.059 0.005 0.000 0.899 154 L HN 0.088 nan 8.230 nan 0.000 0.433 155 D N -0.820 119.604 120.400 0.039 0.000 2.144 155 D HA -0.243 4.397 4.640 -0.000 0.000 0.199 155 D C 1.857 178.220 176.300 0.104 0.000 0.984 155 D CA 1.214 55.244 54.000 0.050 0.000 0.834 155 D CB -0.186 40.635 40.800 0.035 0.000 0.955 155 D HN 0.337 nan 8.370 nan 0.000 0.465 156 Y N 1.404 121.740 120.300 0.060 0.000 2.145 156 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 156 Y C 2.173 178.112 175.900 0.065 0.000 1.145 156 Y CA 1.377 59.555 58.100 0.131 0.000 1.148 156 Y CB -0.420 38.212 38.460 0.286 0.000 0.981 156 Y HN -0.094 nan 8.280 nan 0.000 0.507 157 I N 0.214 120.755 120.570 -0.047 0.000 2.179 157 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 157 I C 2.691 178.723 176.117 -0.142 0.000 1.088 157 I CA 1.269 62.391 61.300 -0.297 0.000 1.357 157 I CB -0.819 37.028 38.000 -0.255 0.000 1.051 157 I HN 0.341 nan 8.210 nan 0.000 0.409 158 A N 0.936 123.720 122.820 -0.059 0.000 1.933 158 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 158 A C 2.426 179.973 177.584 -0.062 0.000 1.175 158 A CA 1.812 53.830 52.037 -0.033 0.000 0.628 158 A CB -1.393 17.597 19.000 -0.016 0.000 0.814 158 A HN 0.466 nan 8.150 nan 0.000 0.444 159 G N -0.538 108.216 108.800 -0.076 0.000 2.443 159 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 159 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 159 G C 1.409 176.237 174.900 -0.119 0.000 1.131 159 G CA 0.787 45.844 45.100 -0.072 0.000 0.775 159 G HN 0.434 nan 8.290 nan 0.000 0.547 160 L N -0.081 121.022 121.223 -0.200 0.000 2.465 160 L HA 0.156 4.496 4.340 -0.000 0.000 0.224 160 L C 2.113 178.826 176.870 -0.261 0.000 1.145 160 L CA 0.780 55.510 54.840 -0.184 0.000 0.834 160 L CB 0.011 41.992 42.059 -0.130 0.000 0.944 160 L HN 0.437 nan 8.230 nan 0.000 0.451 161 G N -1.168 107.483 108.800 -0.249 0.000 2.168 161 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.197 161 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.197 161 G C 0.039 174.652 174.900 -0.478 0.000 0.997 161 G CA -0.616 44.280 45.100 -0.339 0.000 0.658 161 G HN 0.111 nan 8.290 nan 0.000 0.513 162 F N 1.091 120.985 119.950 -0.093 0.000 2.375 162 F HA 0.557 5.084 4.527 -0.000 0.000 0.333 162 F C 1.686 177.462 175.800 -0.041 0.000 1.104 162 F CA 0.668 58.641 58.000 -0.045 0.000 1.149 162 F CB 1.732 40.718 39.000 -0.024 0.000 1.190 162 F HN 0.084 nan 8.300 nan 0.000 0.533 163 T N -2.282 112.365 114.554 0.155 0.000 3.043 163 T HA 0.292 4.642 4.350 -0.000 0.000 0.272 163 T C 0.001 174.747 174.700 0.076 0.000 0.990 163 T CA -0.202 61.939 62.100 0.069 0.000 0.897 163 T CB 0.127 69.004 68.868 0.016 0.000 1.111 163 T HN 0.436 nan 8.240 nan 0.000 0.529 164 Q N 0.708 120.579 119.800 0.117 0.000 2.377 164 Q HA 0.584 4.924 4.340 -0.000 0.000 0.279 164 Q C -2.029 174.020 176.000 0.083 0.000 1.049 164 Q CA -0.757 55.086 55.803 0.066 0.000 0.825 164 Q CB 3.043 31.787 28.738 0.010 0.000 1.401 164 Q HN 0.300 nan 8.270 nan 0.000 0.404 165 L N 2.244 123.494 121.223 0.046 0.000 2.333 165 L HA 0.624 4.964 4.340 -0.000 0.000 0.280 165 L C -1.765 175.153 176.870 0.079 0.000 1.004 165 L CA -0.287 54.582 54.840 0.049 0.000 0.820 165 L CB 1.184 43.249 42.059 0.010 0.000 1.247 165 L HN 0.695 nan 8.230 nan 0.000 0.416 166 W N 9.688 130.908 121.300 -0.133 0.000 2.338 166 W HA 0.668 5.328 4.660 0.000 0.000 0.315 166 W C -2.799 173.628 176.519 -0.155 0.000 1.005 166 W CA -2.965 54.287 57.345 -0.155 0.000 1.380 166 W CB 0.881 30.221 29.460 -0.201 0.000 1.235 166 W HN 0.390 nan 8.180 nan 0.000 0.409 167 P HA 0.243 nan 4.420 nan 0.000 0.292 167 P C 0.292 177.447 177.300 -0.241 0.000 1.283 167 P CA -0.043 62.894 63.100 -0.271 0.000 0.835 167 P CB 1.398 33.017 31.700 -0.136 0.000 1.017 168 T N 0.667 114.972 114.554 -0.415 0.000 2.734 168 T HA 0.219 4.569 4.350 -0.000 0.000 0.314 168 T C -2.282 172.231 174.700 -0.311 0.000 1.057 168 T CA -1.452 60.478 62.100 -0.282 0.000 1.047 168 T CB -1.139 67.494 68.868 -0.391 0.000 0.991 168 T HN 0.214 nan 8.240 nan 0.000 0.540 169 P HA 0.171 nan 4.420 nan 0.000 0.265 169 P C 0.035 177.131 177.300 -0.340 0.000 1.193 169 P CA -0.161 62.719 63.100 -0.366 0.000 0.765 169 P CB 0.274 31.730 31.700 -0.408 0.000 0.823 170 L N 2.796 123.788 121.223 -0.384 0.000 2.616 170 L HA 0.051 4.391 4.340 -0.000 0.000 0.229 170 L C 0.757 177.562 176.870 -0.108 0.000 1.110 170 L CA 0.238 54.877 54.840 -0.336 0.000 0.884 170 L CB -0.299 41.463 42.059 -0.495 0.000 1.115 170 L HN 0.215 nan 8.230 nan 0.000 0.481 171 V N -2.048 117.750 119.914 -0.192 0.000 2.999 171 V HA 0.025 4.145 4.120 -0.000 0.000 0.307 171 V C 0.729 176.826 176.094 0.004 0.000 1.084 171 V CA -0.998 61.265 62.300 -0.062 0.000 1.155 171 V CB 0.304 32.107 31.823 -0.034 0.000 0.975 171 V HN 0.272 nan 8.190 nan 0.000 0.490 172 E N 2.734 122.953 120.200 0.033 0.000 2.529 172 E HA -0.054 4.296 4.350 -0.000 0.000 0.259 172 E C -0.188 176.385 176.600 -0.045 0.000 0.966 172 E CA 0.357 56.760 56.400 0.004 0.000 0.937 172 E CB 0.074 29.779 29.700 0.009 0.000 0.923 172 E HN 0.853 nan 8.360 nan 0.000 0.468 173 N N 4.771 123.443 118.700 -0.048 0.000 2.804 173 N HA 0.027 4.767 4.740 -0.000 0.000 0.251 173 N C -1.333 174.145 175.510 -0.054 0.000 1.250 173 N CA -0.342 52.673 53.050 -0.058 0.000 0.820 173 N CB 0.677 39.113 38.487 -0.085 0.000 1.156 173 N HN 0.384 nan 8.380 nan 0.000 0.512 174 D N 2.090 122.466 120.400 -0.041 0.000 2.741 174 D HA 0.223 4.863 4.640 -0.000 0.000 0.233 174 D C -0.311 175.935 176.300 -0.089 0.000 1.160 174 D CA -0.223 53.739 54.000 -0.063 0.000 1.003 174 D CB -0.059 40.704 40.800 -0.061 0.000 1.064 174 D HN 0.416 nan 8.370 nan 0.000 0.503 175 A N 0.647 123.441 122.820 -0.043 0.000 2.282 175 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 175 A C 1.214 178.762 177.584 -0.061 0.000 1.121 175 A CA -0.089 51.956 52.037 0.013 0.000 0.836 175 A CB 1.235 20.307 19.000 0.121 0.000 1.146 175 A HN 0.350 nan 8.150 nan 0.000 0.494 176 A N 0.206 123.005 122.820 -0.035 0.000 2.067 176 A HA 0.504 4.824 4.320 -0.000 0.000 0.217 176 A C 1.051 178.636 177.584 0.001 0.000 1.156 176 A CA 1.502 53.524 52.037 -0.024 0.000 0.683 176 A CB -0.327 18.678 19.000 0.009 0.000 0.808 176 A HN 2.065 nan 8.150 nan 0.000 0.455 177 A N -3.006 119.837 122.820 0.037 0.000 2.486 177 A HA 0.570 4.890 4.320 -0.000 0.000 0.300 177 A C -0.177 177.434 177.584 0.045 0.000 1.048 177 A CA -0.573 51.427 52.037 -0.061 0.000 0.696 177 A CB 0.252 19.241 19.000 -0.019 0.000 1.278 177 A HN 0.902 nan 8.150 nan 0.000 0.405 178 Y N 0.526 120.911 120.300 0.142 0.000 3.825 178 Y HA -0.302 4.248 4.550 -0.000 0.000 0.221 178 Y C 1.959 177.787 175.900 -0.120 0.000 1.195 178 Y CA 1.087 59.276 58.100 0.149 0.000 1.699 178 Y CB -2.498 36.099 38.460 0.229 0.000 1.531 178 Y HN 1.056 nan 8.280 nan 0.000 0.640 179 S N -1.018 114.683 115.700 0.003 0.000 2.447 179 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 179 S C 1.734 176.225 174.600 -0.181 0.000 1.006 179 S CA 1.065 59.194 58.200 -0.118 0.000 0.957 179 S CB -0.742 62.425 63.200 -0.055 0.000 0.773 179 S HN 0.684 nan 8.310 nan 0.000 0.507 180 Y N 3.053 123.282 120.300 -0.118 0.000 2.333 180 Y HA -0.105 4.445 4.550 0.000 0.000 0.290 180 Y C 2.363 178.302 175.900 0.065 0.000 1.144 180 Y CA 1.205 59.300 58.100 -0.010 0.000 1.228 180 Y CB -1.411 37.052 38.460 0.005 0.000 0.985 180 Y HN 0.660 nan 8.280 nan 0.000 0.542 181 H N -1.543 117.091 119.070 -0.726 0.000 2.512 181 H HA 0.292 4.848 4.556 -0.000 0.000 0.279 181 H C 1.908 177.074 175.328 -0.270 0.000 0.999 181 H CA 0.665 56.359 56.048 -0.589 0.000 1.283 181 H CB -0.164 29.257 29.762 -0.569 0.000 1.421 181 H HN 0.477 nan 8.280 nan 0.000 0.554 182 G N 0.808 109.474 108.800 -0.223 0.000 2.217 182 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.246 182 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.246 182 G C 0.345 175.120 174.900 -0.208 0.000 0.990 182 G CA 0.325 45.297 45.100 -0.214 0.000 0.627 182 G HN 0.508 nan 8.290 nan 0.000 0.522 183 Y N 0.971 121.453 120.300 0.304 0.000 2.502 183 Y HA 0.540 5.090 4.550 -0.000 0.000 0.295 183 Y C 1.751 177.781 175.900 0.217 0.000 1.193 183 Y CA 0.841 59.076 58.100 0.225 0.000 1.295 183 Y CB 0.522 39.079 38.460 0.161 0.000 1.059 183 Y HN 0.608 nan 8.280 nan 0.000 0.514 184 A N 0.336 123.291 122.820 0.225 0.000 3.159 184 A HA 0.737 5.057 4.320 -0.000 0.000 0.330 184 A C 0.108 177.709 177.584 0.029 0.000 1.032 184 A CA -0.549 51.592 52.037 0.175 0.000 0.841 184 A CB -0.648 18.460 19.000 0.181 0.000 1.093 184 A HN 0.165 nan 8.150 nan 0.000 0.478 185 A N 1.071 123.857 122.820 -0.056 0.000 2.511 185 A HA 0.463 4.783 4.320 -0.000 0.000 0.242 185 A C 1.321 178.802 177.584 -0.171 0.000 1.069 185 A CA 0.836 52.753 52.037 -0.200 0.000 0.763 185 A CB -0.015 18.653 19.000 -0.553 0.000 1.001 185 A HN 1.393 nan 8.150 nan 0.000 0.498 186 T N -1.787 112.644 114.554 -0.205 0.000 3.044 186 T HA 0.286 4.636 4.350 -0.000 0.000 0.260 186 T C -0.163 174.148 174.700 -0.649 0.000 1.019 186 T CA 0.553 62.457 62.100 -0.327 0.000 0.921 186 T CB 0.130 68.924 68.868 -0.123 0.000 1.053 186 T HN 0.623 nan 8.240 nan 0.000 0.533 187 D N 0.135 120.302 120.400 -0.388 0.000 2.333 187 D HA 0.140 4.780 4.640 -0.000 0.000 0.225 187 D C -0.020 176.303 176.300 0.040 0.000 1.345 187 D CA -0.371 53.526 54.000 -0.171 0.000 0.971 187 D CB 0.708 41.526 40.800 0.029 0.000 1.451 187 D HN -0.010 nan 8.370 nan 0.000 0.561 188 H N 2.252 121.431 119.070 0.183 0.000 2.546 188 H HA -0.019 4.537 4.556 -0.000 0.000 0.277 188 H C 0.371 175.832 175.328 0.222 0.000 1.004 188 H CA 0.945 57.125 56.048 0.219 0.000 1.231 188 H CB 0.445 30.352 29.762 0.242 0.000 1.382 188 H HN 0.480 nan 8.280 nan 0.000 0.580 189 Y N -0.168 120.324 120.300 0.320 0.000 2.524 189 Y HA 0.210 4.760 4.550 -0.000 0.000 0.266 189 Y C 0.771 176.804 175.900 0.221 0.000 1.180 189 Y CA -0.127 57.997 58.100 0.040 0.000 1.244 189 Y CB 0.784 39.056 38.460 -0.313 0.000 1.125 189 Y HN -0.119 nan 8.280 nan 0.000 0.524 190 R N 0.618 121.415 120.500 0.494 0.000 2.533 190 R HA 0.354 4.694 4.340 -0.000 0.000 0.288 190 R C -1.218 175.312 176.300 0.383 0.000 1.039 190 R CA -0.684 55.670 56.100 0.424 0.000 0.909 190 R CB 0.892 31.346 30.300 0.257 0.000 1.195 190 R HN -0.071 nan 8.270 nan 0.000 0.438 191 I N 3.016 123.825 120.570 0.397 0.000 2.775 191 I HA -0.076 4.094 4.170 -0.000 0.000 0.290 191 I C 0.702 176.929 176.117 0.183 0.000 1.203 191 I CA 0.450 61.880 61.300 0.217 0.000 1.433 191 I CB 0.205 38.341 38.000 0.226 0.000 1.354 191 I HN 0.714 nan 8.210 nan 0.000 0.579 192 D N 9.101 129.600 120.400 0.164 0.000 2.520 192 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 192 D C -1.547 174.776 176.300 0.038 0.000 1.160 192 D CA -0.965 53.072 54.000 0.062 0.000 0.877 192 D CB 1.360 42.136 40.800 -0.040 0.000 1.150 192 D HN 0.251 nan 8.370 nan 0.000 0.494 193 P HA -0.099 nan 4.420 nan 0.000 0.223 193 P C 0.993 178.284 177.300 -0.014 0.000 1.144 193 P CA 0.874 63.993 63.100 0.031 0.000 0.783 193 P CB 0.178 31.891 31.700 0.020 0.000 0.771 194 R N -2.118 118.306 120.500 -0.126 0.000 2.235 194 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 194 R C 1.654 177.857 176.300 -0.163 0.000 1.059 194 R CA 0.994 56.984 56.100 -0.184 0.000 0.997 194 R CB -0.439 29.692 30.300 -0.283 0.000 0.884 194 R HN 0.288 nan 8.270 nan 0.000 0.462 195 Y N -0.926 119.405 120.300 0.052 0.000 2.436 195 Y HA 0.280 4.830 4.550 -0.000 0.000 0.288 195 Y C 1.474 177.418 175.900 0.073 0.000 1.112 195 Y CA 0.612 58.747 58.100 0.059 0.000 1.220 195 Y CB 0.419 38.908 38.460 0.049 0.000 1.073 195 Y HN 0.161 nan 8.280 nan 0.000 0.552 196 G N -0.770 108.160 108.800 0.217 0.000 2.302 196 G HA2 0.209 4.169 3.960 -0.000 0.000 0.264 196 G HA3 0.209 4.169 3.960 -0.000 0.000 0.264 196 G C -0.999 174.015 174.900 0.189 0.000 1.335 196 G CA -0.488 44.716 45.100 0.174 0.000 0.982 196 G HN 0.292 nan 8.290 nan 0.000 0.473 197 S N -0.407 115.413 115.700 0.199 0.000 2.722 197 S HA 0.530 5.000 4.470 -0.000 0.000 0.292 197 S C 1.105 175.901 174.600 0.327 0.000 1.135 197 S CA 0.174 58.512 58.200 0.231 0.000 1.003 197 S CB 1.749 65.064 63.200 0.193 0.000 1.067 197 S HN 0.585 nan 8.310 nan 0.000 0.546 198 N N 1.294 120.237 118.700 0.406 0.000 2.061 198 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 198 N C 1.546 177.361 175.510 0.508 0.000 1.030 198 N CA 1.838 55.248 53.050 0.600 0.000 0.856 198 N CB -0.565 38.348 38.487 0.710 0.000 1.023 198 N HN 0.783 nan 8.380 nan 0.000 0.424 199 E N 0.142 120.563 120.200 0.369 0.000 2.118 199 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 199 E C 0.971 177.672 176.600 0.168 0.000 0.992 199 E CA 0.957 57.497 56.400 0.233 0.000 0.804 199 E CB -0.058 29.753 29.700 0.184 0.000 0.741 199 E HN 0.379 nan 8.360 nan 0.000 0.458 200 D N 0.112 120.630 120.400 0.197 0.000 2.117 200 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 200 D C 1.631 178.044 176.300 0.187 0.000 0.987 200 D CA 0.738 54.835 54.000 0.161 0.000 0.829 200 D CB -0.308 40.595 40.800 0.173 0.000 0.961 200 D HN 0.104 nan 8.370 nan 0.000 0.460 201 F N 1.426 121.439 119.950 0.104 0.000 2.146 201 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 201 F C 2.216 178.024 175.800 0.013 0.000 1.096 201 F CA 0.831 58.876 58.000 0.074 0.000 1.275 201 F CB -0.341 38.748 39.000 0.147 0.000 1.008 201 F HN -0.225 nan 8.300 nan 0.000 0.480 202 V N 0.802 120.717 119.914 0.001 0.000 2.332 202 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 202 V C 2.580 178.565 176.094 -0.180 0.000 1.055 202 V CA 2.335 64.507 62.300 -0.214 0.000 1.038 202 V CB -0.845 30.798 31.823 -0.299 0.000 0.651 202 V HN 0.303 nan 8.190 nan 0.000 0.450 203 R N -0.362 120.086 120.500 -0.087 0.000 2.096 203 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 203 R C 2.262 178.500 176.300 -0.103 0.000 1.127 203 R CA 1.648 57.705 56.100 -0.072 0.000 0.968 203 R CB -0.389 29.898 30.300 -0.021 0.000 0.861 203 R HN 0.451 nan 8.270 nan 0.000 0.440 204 L N 0.344 121.491 121.223 -0.127 0.000 2.013 204 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 204 L C 2.245 178.988 176.870 -0.212 0.000 1.073 204 L CA 2.314 57.061 54.840 -0.156 0.000 0.753 204 L CB -0.998 40.954 42.059 -0.178 0.000 0.890 204 L HN 0.163 nan 8.230 nan 0.000 0.432 205 S N -1.483 114.025 115.700 -0.321 0.000 2.348 205 S HA -0.229 4.241 4.470 -0.000 0.000 0.221 205 S C 2.135 176.633 174.600 -0.170 0.000 1.033 205 S CA 2.136 60.168 58.200 -0.279 0.000 1.010 205 S CB -0.705 62.294 63.200 -0.336 0.000 0.891 205 S HN 0.816 nan 8.310 nan 0.000 0.442 206 T N -0.192 114.273 114.554 -0.149 0.000 2.746 206 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 206 T C 1.660 176.311 174.700 -0.080 0.000 1.039 206 T CA 1.341 63.380 62.100 -0.102 0.000 1.142 206 T CB -0.546 68.271 68.868 -0.085 0.000 0.866 206 T HN 0.311 nan 8.240 nan 0.000 0.444 207 E N 1.597 121.749 120.200 -0.080 0.000 2.106 207 E HA 0.054 4.404 4.350 -0.000 0.000 0.192 207 E C 2.653 179.218 176.600 -0.058 0.000 0.984 207 E CA 1.278 57.640 56.400 -0.062 0.000 0.806 207 E CB -0.812 28.853 29.700 -0.058 0.000 0.750 207 E HN 0.725 nan 8.360 nan 0.000 0.458 208 A N 1.480 124.259 122.820 -0.070 0.000 1.902 208 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 208 A C 2.229 179.784 177.584 -0.049 0.000 1.181 208 A CA 1.669 53.672 52.037 -0.056 0.000 0.623 208 A CB -0.493 18.466 19.000 -0.069 0.000 0.818 208 A HN 0.128 nan 8.150 nan 0.000 0.443 209 R N -0.038 120.426 120.500 -0.060 0.000 2.096 209 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 209 R C 1.974 178.250 176.300 -0.040 0.000 1.127 209 R CA 1.641 57.711 56.100 -0.051 0.000 0.968 209 R CB -0.231 30.032 30.300 -0.061 0.000 0.861 209 R HN 0.495 nan 8.270 nan 0.000 0.440 210 K N -0.084 120.291 120.400 -0.041 0.000 2.211 210 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 210 K C 1.570 178.154 176.600 -0.027 0.000 1.047 210 K CA 1.321 57.588 56.287 -0.033 0.000 0.935 210 K CB 0.013 32.492 32.500 -0.034 0.000 0.728 210 K HN 0.192 nan 8.250 nan 0.000 0.452 211 R N -0.605 119.878 120.500 -0.027 0.000 2.427 211 R HA 0.083 4.423 4.340 -0.000 0.000 0.262 211 R C 0.560 176.849 176.300 -0.018 0.000 0.943 211 R CA 0.346 56.434 56.100 -0.021 0.000 1.081 211 R CB 0.860 31.149 30.300 -0.019 0.000 1.166 211 R HN 0.298 nan 8.270 nan 0.000 0.534 212 G N 1.197 109.985 108.800 -0.021 0.000 2.143 212 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 212 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 212 G C 0.027 174.919 174.900 -0.013 0.000 0.991 212 G CA 0.053 45.141 45.100 -0.019 0.000 0.689 212 G HN 0.204 nan 8.290 nan 0.000 0.522 213 M N 0.424 120.017 119.600 -0.013 0.000 2.383 213 M HA 0.572 5.052 4.480 -0.000 0.000 0.325 213 M C 0.812 177.104 176.300 -0.013 0.000 1.092 213 M CA -0.196 55.103 55.300 -0.002 0.000 0.961 213 M CB 2.089 34.692 32.600 0.004 0.000 1.672 213 M HN 0.214 nan 8.290 nan 0.000 0.438 214 G N 1.631 110.433 108.800 0.003 0.000 2.504 214 G HA2 0.624 4.584 3.960 -0.000 0.000 0.288 214 G HA3 0.624 4.584 3.960 -0.000 0.000 0.288 214 G C -1.709 173.182 174.900 -0.015 0.000 1.182 214 G CA -0.470 44.628 45.100 -0.004 0.000 0.894 214 G HN 0.554 nan 8.290 nan 0.000 0.521 215 L N 0.580 121.781 121.223 -0.036 0.000 2.349 215 L HA 0.607 4.947 4.340 -0.000 0.000 0.278 215 L C -0.636 176.233 176.870 -0.002 0.000 0.996 215 L CA -0.658 54.151 54.840 -0.050 0.000 0.825 215 L CB 1.424 43.389 42.059 -0.157 0.000 1.243 215 L HN 0.388 nan 8.230 nan 0.000 0.412 216 I N 4.588 125.175 120.570 0.028 0.000 2.330 216 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 216 I C -0.161 176.008 176.117 0.087 0.000 1.001 216 I CA -0.463 60.853 61.300 0.027 0.000 1.193 216 I CB 1.610 39.533 38.000 -0.129 0.000 1.345 216 I HN 0.633 nan 8.210 nan 0.000 0.461 217 Q N 5.057 124.909 119.800 0.086 0.000 2.235 217 Q HA 0.160 4.500 4.340 -0.000 0.000 0.250 217 Q C -0.896 175.118 176.000 0.024 0.000 0.909 217 Q CA -0.590 55.269 55.803 0.093 0.000 0.910 217 Q CB 1.516 30.300 28.738 0.076 0.000 1.223 217 Q HN 0.469 nan 8.270 nan 0.000 0.432 218 D N 3.256 123.683 120.400 0.045 0.000 2.359 218 D HA 0.266 4.906 4.640 -0.000 0.000 0.230 218 D C -1.159 175.142 176.300 0.002 0.000 1.118 218 D CA -0.339 53.699 54.000 0.063 0.000 0.844 218 D CB 1.049 42.019 40.800 0.282 0.000 1.059 218 D HN 0.372 nan 8.370 nan 0.000 0.493 219 V N 1.734 121.665 119.914 0.028 0.000 2.459 219 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 219 V C -0.119 175.997 176.094 0.036 0.000 1.029 219 V CA -0.845 61.474 62.300 0.031 0.000 0.874 219 V CB 1.576 33.447 31.823 0.080 0.000 0.985 219 V HN 0.195 nan 8.190 nan 0.000 0.438 220 V N 5.896 125.821 119.914 0.018 0.000 2.427 220 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 220 V C 0.664 176.691 176.094 -0.113 0.000 1.034 220 V CA -0.231 62.022 62.300 -0.078 0.000 0.893 220 V CB 1.370 33.083 31.823 -0.184 0.000 0.982 220 V HN 0.929 nan 8.190 nan 0.000 0.452 221 L N 2.634 123.751 121.223 -0.177 0.000 2.577 221 L HA 0.112 4.452 4.340 -0.000 0.000 0.225 221 L C 2.268 178.999 176.870 -0.232 0.000 1.053 221 L CA 0.635 55.370 54.840 -0.174 0.000 0.866 221 L CB -0.056 41.907 42.059 -0.159 0.000 1.132 221 L HN 0.722 nan 8.230 nan 0.000 0.486 222 S N -0.700 114.853 115.700 -0.244 0.000 2.387 222 S HA -0.054 4.416 4.470 -0.000 0.000 0.226 222 S C 0.642 175.163 174.600 -0.131 0.000 1.026 222 S CA 0.468 58.564 58.200 -0.173 0.000 0.972 222 S CB -0.161 63.019 63.200 -0.034 0.000 0.814 222 S HN 0.538 nan 8.310 nan 0.000 0.477 223 H N -1.019 117.978 119.070 -0.122 0.000 2.977 223 H HA 0.644 5.200 4.556 -0.000 0.000 0.350 223 H C -0.529 174.764 175.328 -0.058 0.000 1.238 223 H CA -0.925 55.039 56.048 -0.140 0.000 1.124 223 H CB 1.050 30.711 29.762 -0.169 0.000 1.866 223 H HN 0.351 nan 8.280 nan 0.000 0.550 224 I N -1.725 118.878 120.570 0.055 0.000 3.322 224 I HA 0.761 4.931 4.170 -0.000 0.000 0.313 224 I C 0.117 176.262 176.117 0.048 0.000 1.129 224 I CA -1.472 59.838 61.300 0.016 0.000 0.963 224 I CB 2.080 40.036 38.000 -0.074 0.000 1.273 224 I HN 0.659 nan 8.210 nan 0.000 0.473 225 G N 0.629 109.453 108.800 0.040 0.000 2.448 225 G HA2 0.291 4.251 3.960 -0.000 0.000 0.285 225 G HA3 0.291 4.251 3.960 -0.000 0.000 0.285 225 G C 0.423 175.339 174.900 0.026 0.000 1.176 225 G CA -0.551 44.582 45.100 0.055 0.000 0.852 225 G HN 0.940 nan 8.290 nan 0.000 0.530 226 K N -0.531 119.866 120.400 -0.005 0.000 2.362 226 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 226 K C 0.888 177.413 176.600 -0.125 0.000 1.046 226 K CA 1.025 57.274 56.287 -0.063 0.000 0.952 226 K CB -0.000 32.448 32.500 -0.087 0.000 0.753 226 K HN 0.506 nan 8.250 nan 0.000 0.466 227 H N 0.244 119.354 119.070 0.067 0.000 2.533 227 H HA 0.041 4.597 4.556 -0.000 0.000 0.271 227 H C -0.038 175.316 175.328 0.045 0.000 1.000 227 H CA -0.014 56.070 56.048 0.060 0.000 1.149 227 H CB -0.235 29.550 29.762 0.039 0.000 1.375 227 H HN 0.277 nan 8.280 nan 0.000 0.582 228 H N 1.709 120.773 119.070 -0.010 0.000 3.001 228 H HA -0.134 4.422 4.556 -0.000 0.000 0.334 228 H C 1.282 176.535 175.328 -0.126 0.000 1.034 228 H CA 0.156 56.099 56.048 -0.175 0.000 1.420 228 H CB 0.398 29.938 29.762 -0.370 0.000 1.405 228 H HN 0.499 nan 8.280 nan 0.000 0.593 229 W N 5.048 126.276 121.300 -0.119 0.000 2.364 229 W HA -0.161 4.498 4.660 -0.000 0.000 0.281 229 W C 1.037 177.668 176.519 0.186 0.000 1.219 229 W CA -0.110 57.243 57.345 0.014 0.000 1.220 229 W CB -1.159 28.240 29.460 -0.101 0.000 1.127 229 W HN 0.546 nan 8.180 nan 0.000 0.556 230 W N 1.106 122.167 121.300 -0.399 0.000 2.325 230 W HA -0.213 4.447 4.660 0.000 0.000 0.299 230 W C 2.369 178.766 176.519 -0.203 0.000 1.215 230 W CA 1.066 58.078 57.345 -0.554 0.000 1.244 230 W CB -1.305 27.640 29.460 -0.859 0.000 1.140 230 W HN -0.079 nan 8.180 nan 0.000 0.523 231 M N 0.040 119.730 119.600 0.150 0.000 2.476 231 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 231 M C 1.614 177.995 176.300 0.136 0.000 1.079 231 M CA 1.056 56.430 55.300 0.123 0.000 1.104 231 M CB -1.176 31.490 32.600 0.109 0.000 1.409 231 M HN 0.055 nan 8.290 nan 0.000 0.467 232 K N -0.132 120.375 120.400 0.178 0.000 2.296 232 K HA -0.059 4.261 4.320 -0.000 0.000 0.200 232 K C 0.025 176.734 176.600 0.181 0.000 1.048 232 K CA 0.703 57.101 56.287 0.185 0.000 0.966 232 K CB 0.203 32.842 32.500 0.230 0.000 0.754 232 K HN 0.120 nan 8.250 nan 0.000 0.466 233 D N 0.182 120.699 120.400 0.195 0.000 2.474 233 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 233 D C -1.079 175.307 176.300 0.143 0.000 1.323 233 D CA -0.199 53.927 54.000 0.210 0.000 0.915 233 D CB 0.194 41.180 40.800 0.309 0.000 1.487 233 D HN -0.101 nan 8.370 nan 0.000 0.524 234 L N 3.599 124.824 121.223 0.004 0.000 2.559 234 L HA 0.151 4.491 4.340 -0.000 0.000 0.274 234 L C -1.069 175.536 176.870 -0.441 0.000 1.205 234 L CA -0.986 53.728 54.840 -0.209 0.000 0.907 234 L CB 0.426 42.429 42.059 -0.092 0.000 1.153 234 L HN 0.228 nan 8.230 nan 0.000 0.490 235 P HA -0.118 nan 4.420 nan 0.000 0.216 235 P C 0.259 177.153 177.300 -0.677 0.000 1.153 235 P CA 1.231 63.361 63.100 -1.617 0.000 0.858 235 P CB 0.147 30.304 31.700 -2.570 0.000 0.789 236 T N -7.941 106.386 114.554 -0.378 0.000 2.864 236 T HA 0.442 4.792 4.350 -0.000 0.000 0.299 236 T C -2.608 172.073 174.700 -0.031 0.000 1.166 236 T CA -2.090 59.955 62.100 -0.092 0.000 1.007 236 T CB 1.657 70.542 68.868 0.028 0.000 1.219 236 T HN -0.297 nan 8.240 nan 0.000 0.506 237 P HA 0.058 nan 4.420 nan 0.000 0.226 237 P C 0.592 177.904 177.300 0.021 0.000 1.153 237 P CA 0.812 63.918 63.100 0.011 0.000 0.777 237 P CB -0.023 31.684 31.700 0.011 0.000 0.794 238 D N -2.821 117.585 120.400 0.010 0.000 2.402 238 D HA -0.067 4.573 4.640 -0.000 0.000 0.216 238 D C 1.398 177.672 176.300 -0.044 0.000 1.128 238 D CA -0.537 53.448 54.000 -0.024 0.000 0.833 238 D CB -1.247 39.515 40.800 -0.063 0.000 0.971 238 D HN 0.202 nan 8.370 nan 0.000 0.503 239 W N 1.076 122.234 121.300 -0.236 0.000 2.338 239 W HA -0.030 4.630 4.660 -0.000 0.000 0.304 239 W C -0.293 176.055 176.519 -0.285 0.000 1.212 239 W CA 0.682 57.822 57.345 -0.342 0.000 1.264 239 W CB 0.273 29.447 29.460 -0.476 0.000 1.142 239 W HN -0.119 nan 8.180 nan 0.000 0.512 240 I N 1.528 122.107 120.570 0.016 0.000 2.412 240 I HA 0.120 4.290 4.170 -0.000 0.000 0.296 240 I C -0.035 176.103 176.117 0.035 0.000 0.987 240 I CA -1.058 60.238 61.300 -0.007 0.000 1.180 240 I CB 0.671 38.735 38.000 0.107 0.000 1.340 240 I HN -0.139 nan 8.210 nan 0.000 0.455 241 N N 4.849 123.555 118.700 0.010 0.000 2.395 241 N HA 0.004 4.744 4.740 -0.000 0.000 0.246 241 N C -0.725 174.908 175.510 0.204 0.000 1.246 241 N CA 0.200 53.228 53.050 -0.035 0.000 0.879 241 N CB 0.046 38.475 38.487 -0.097 0.000 1.098 241 N HN 0.416 nan 8.380 nan 0.000 0.444 242 Y N -0.413 119.976 120.300 0.149 0.000 3.929 242 Y HA -0.221 4.329 4.550 0.000 0.000 0.225 242 Y C 1.338 177.290 175.900 0.087 0.000 1.200 242 Y CA 0.806 58.956 58.100 0.084 0.000 1.791 242 Y CB -2.180 36.291 38.460 0.018 0.000 1.561 242 Y HN 0.906 nan 8.280 nan 0.000 0.657 243 G N -1.149 107.741 108.800 0.150 0.000 2.225 243 G HA2 0.089 4.049 3.960 -0.000 0.000 0.267 243 G HA3 0.089 4.049 3.960 -0.000 0.000 0.267 243 G C 1.404 176.412 174.900 0.181 0.000 1.024 243 G CA 1.205 46.382 45.100 0.128 0.000 0.784 243 G HN 2.127 nan 8.290 nan 0.000 0.507 244 G N -1.882 107.098 108.800 0.300 0.000 2.157 244 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 244 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 244 G C 0.302 175.467 174.900 0.441 0.000 0.979 244 G CA 0.975 46.312 45.100 0.395 0.000 0.650 244 G HN 0.979 nan 8.290 nan 0.000 0.529 245 K N -0.081 120.470 120.400 0.252 0.000 2.164 245 K HA 0.529 4.849 4.320 -0.000 0.000 0.258 245 K C -0.236 175.938 176.600 -0.709 0.000 0.951 245 K CA -1.355 54.880 56.287 -0.086 0.000 0.844 245 K CB 1.437 33.900 32.500 -0.062 0.000 1.099 245 K HN 0.170 nan 8.250 nan 0.000 0.435 246 F N 2.899 122.119 119.950 -1.216 0.000 2.538 246 F HA 0.074 4.601 4.527 -0.000 0.000 0.382 246 F C -0.552 174.661 175.800 -0.977 0.000 1.069 246 F CA -0.263 56.747 58.000 -1.650 0.000 1.138 246 F CB 0.123 38.619 39.000 -0.840 0.000 1.068 246 F HN 0.065 nan 8.300 nan 0.000 0.556 247 V N 9.138 128.198 119.914 -1.423 0.000 2.447 247 V HA 0.330 4.450 4.120 -0.000 0.000 0.292 247 V C -2.168 173.380 176.094 -0.909 0.000 1.021 247 V CA -1.654 59.945 62.300 -1.169 0.000 0.850 247 V CB 1.666 32.771 31.823 -1.196 0.000 1.005 247 V HN 0.625 nan 8.190 nan 0.000 0.426 248 P HA 0.139 nan 4.420 nan 0.000 0.275 248 P C 0.008 177.168 177.300 -0.233 0.000 1.228 248 P CA 0.117 62.968 63.100 -0.415 0.000 0.786 248 P CB 0.962 32.465 31.700 -0.329 0.000 0.927 249 T N 1.455 115.921 114.554 -0.146 0.000 2.918 249 T HA 0.040 4.390 4.350 -0.000 0.000 0.302 249 T C 0.964 175.452 174.700 -0.354 0.000 1.045 249 T CA 0.244 62.208 62.100 -0.227 0.000 1.114 249 T CB 0.119 68.821 68.868 -0.277 0.000 0.965 249 T HN 0.260 nan 8.240 nan 0.000 0.540 250 Q N 1.505 121.150 119.800 -0.259 0.000 2.247 250 Q HA 0.225 4.565 4.340 -0.000 0.000 0.204 250 Q C -0.087 175.724 176.000 -0.314 0.000 0.872 250 Q CA 0.393 56.037 55.803 -0.265 0.000 0.951 250 Q CB -0.317 28.273 28.738 -0.246 0.000 1.099 250 Q HN 1.004 nan 8.270 nan 0.000 0.501 251 H N -2.298 116.739 119.070 -0.056 0.000 2.941 251 H HA -0.175 4.381 4.556 -0.000 0.000 0.279 251 H C -0.949 174.357 175.328 -0.037 0.000 1.247 251 H CA 0.652 56.802 56.048 0.170 0.000 1.129 251 H CB -2.218 27.578 29.762 0.056 0.000 1.313 251 H HN 0.426 nan 8.280 nan 0.000 0.384 252 H N 0.940 120.095 119.070 0.143 0.000 3.045 252 H HA 0.087 4.643 4.556 -0.000 0.000 0.254 252 H C 1.705 176.668 175.328 -0.607 0.000 1.747 252 H CA 0.048 56.016 56.048 -0.133 0.000 1.444 252 H CB 0.366 30.095 29.762 -0.055 0.000 1.778 252 H HN 0.515 nan 8.280 nan 0.000 0.544 253 R N 0.675 120.714 120.500 -0.768 0.000 2.148 253 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 253 R C 1.504 177.397 176.300 -0.677 0.000 1.103 253 R CA 1.550 56.755 56.100 -1.491 0.000 0.983 253 R CB -0.456 29.421 30.300 -0.705 0.000 0.874 253 R HN 0.446 nan 8.270 nan 0.000 0.451 254 V N -1.616 118.108 119.914 -0.315 0.000 3.141 254 V HA 0.160 4.280 4.120 -0.000 0.000 0.265 254 V C 2.361 178.371 176.094 -0.141 0.000 1.126 254 V CA 1.071 63.272 62.300 -0.166 0.000 1.141 254 V CB -0.370 31.397 31.823 -0.092 0.000 0.743 254 V HN 0.358 nan 8.190 nan 0.000 0.492 255 A N 1.512 124.235 122.820 -0.163 0.000 2.024 255 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 255 A C 2.296 179.858 177.584 -0.036 0.000 1.164 255 A CA 2.137 54.133 52.037 -0.069 0.000 0.643 255 A CB -0.819 18.171 19.000 -0.018 0.000 0.806 255 A HN 1.286 nan 8.150 nan 0.000 0.451 256 V N -2.055 117.824 119.914 -0.059 0.000 3.380 256 V HA 0.013 4.133 4.120 -0.000 0.000 0.268 256 V C 0.820 176.852 176.094 -0.103 0.000 1.168 256 V CA 1.320 63.608 62.300 -0.020 0.000 1.156 256 V CB -1.064 30.813 31.823 0.090 0.000 0.785 256 V HN 0.803 nan 8.190 nan 0.000 0.487 257 Q N 0.052 119.803 119.800 -0.082 0.000 2.458 257 Q HA 0.454 4.794 4.340 -0.000 0.000 0.332 257 Q C -0.906 175.160 176.000 0.110 0.000 0.825 257 Q CA -0.294 55.494 55.803 -0.025 0.000 1.076 257 Q CB 0.487 29.106 28.738 -0.199 0.000 1.394 257 Q HN 0.458 nan 8.270 nan 0.000 0.393 258 D N 1.280 121.743 120.400 0.105 0.000 2.863 258 D HA 0.274 4.914 4.640 -0.000 0.000 0.245 258 D C -1.838 174.434 176.300 -0.046 0.000 1.211 258 D CA -2.154 51.816 54.000 -0.051 0.000 0.888 258 D CB 2.222 42.993 40.800 -0.049 0.000 1.483 258 D HN -0.014 nan 8.370 nan 0.000 0.533 259 P HA -0.121 nan 4.420 nan 0.000 0.220 259 P C 0.461 177.587 177.300 -0.289 0.000 1.148 259 P CA 0.938 63.819 63.100 -0.364 0.000 0.803 259 P CB 0.140 31.347 31.700 -0.821 0.000 0.782 260 Y N -0.266 120.012 120.300 -0.038 0.000 2.493 260 Y HA 0.465 5.015 4.550 -0.000 0.000 0.275 260 Y C 1.509 177.393 175.900 -0.026 0.000 1.183 260 Y CA -1.343 56.737 58.100 -0.034 0.000 1.258 260 Y CB -1.111 37.315 38.460 -0.058 0.000 1.108 260 Y HN -0.098 nan 8.280 nan 0.000 0.521 261 A N 1.122 123.995 122.820 0.088 0.000 2.483 261 A HA 0.527 4.847 4.320 -0.000 0.000 0.238 261 A C 0.606 178.219 177.584 0.048 0.000 1.070 261 A CA 0.100 52.167 52.037 0.050 0.000 0.770 261 A CB -0.073 18.947 19.000 0.034 0.000 1.008 261 A HN 0.370 nan 8.150 nan 0.000 0.497 262 A N 1.428 124.263 122.820 0.026 0.000 2.331 262 A HA 0.454 4.774 4.320 -0.000 0.000 0.283 262 A C 1.024 178.630 177.584 0.036 0.000 1.142 262 A CA -0.540 51.512 52.037 0.025 0.000 0.812 262 A CB 0.362 19.366 19.000 0.007 0.000 1.074 262 A HN 0.870 nan 8.150 nan 0.000 0.497 263 Q N 1.646 121.470 119.800 0.040 0.000 2.181 263 Q HA -0.221 4.119 4.340 -0.000 0.000 0.205 263 Q C 2.323 178.361 176.000 0.063 0.000 0.980 263 Q CA 1.754 57.587 55.803 0.049 0.000 0.862 263 Q CB -0.614 28.149 28.738 0.042 0.000 0.905 263 Q HN 0.938 nan 8.270 nan 0.000 0.429 264 A N 1.643 124.496 122.820 0.055 0.000 1.917 264 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 264 A C 1.761 179.403 177.584 0.096 0.000 1.182 264 A CA 1.990 54.067 52.037 0.067 0.000 0.633 264 A CB -0.390 18.636 19.000 0.043 0.000 0.819 264 A HN 0.235 nan 8.150 nan 0.000 0.448 265 D N -1.155 119.296 120.400 0.084 0.000 2.137 265 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 265 D C 2.315 178.713 176.300 0.165 0.000 0.970 265 D CA 1.414 55.492 54.000 0.129 0.000 0.837 265 D CB -0.344 40.482 40.800 0.043 0.000 0.981 265 D HN 0.390 nan 8.370 nan 0.000 0.475 266 S N 0.325 116.097 115.700 0.121 0.000 2.356 266 S HA -0.169 4.301 4.470 -0.000 0.000 0.223 266 S C 1.734 176.444 174.600 0.183 0.000 1.032 266 S CA 1.184 59.473 58.200 0.147 0.000 1.005 266 S CB -0.079 63.179 63.200 0.098 0.000 0.867 266 S HN 0.209 nan 8.310 nan 0.000 0.449 267 E N 0.941 121.228 120.200 0.145 0.000 2.110 267 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 267 E C 2.133 178.853 176.600 0.199 0.000 0.988 267 E CA 0.979 57.465 56.400 0.143 0.000 0.804 267 E CB -0.329 29.443 29.700 0.120 0.000 0.745 267 E HN 0.599 nan 8.360 nan 0.000 0.458 268 N N 0.352 119.179 118.700 0.211 0.000 2.223 268 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 268 N C 1.721 177.362 175.510 0.218 0.000 1.016 268 N CA 0.733 53.909 53.050 0.209 0.000 0.863 268 N CB -0.052 38.530 38.487 0.158 0.000 0.983 268 N HN 0.068 nan 8.380 nan 0.000 0.429 269 F N 1.749 121.742 119.950 0.071 0.000 2.163 269 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 269 F C 2.684 178.531 175.800 0.079 0.000 1.094 269 F CA 1.894 59.904 58.000 0.018 0.000 1.290 269 F CB -0.705 38.274 39.000 -0.034 0.000 1.017 269 F HN 0.088 nan 8.300 nan 0.000 0.483 270 T N -3.267 111.350 114.554 0.106 0.000 3.067 270 T HA 0.061 4.411 4.350 -0.000 0.000 0.257 270 T C 1.683 176.401 174.700 0.031 0.000 1.105 270 T CA 0.636 62.752 62.100 0.026 0.000 1.104 270 T CB -0.096 68.825 68.868 0.089 0.000 0.925 270 T HN 0.232 nan 8.240 nan 0.000 0.498 271 K N 0.601 121.058 120.400 0.095 0.000 2.399 271 K HA 0.307 4.627 4.320 -0.000 0.000 0.196 271 K C 1.340 178.171 176.600 0.385 0.000 1.117 271 K CA 0.000 56.356 56.287 0.115 0.000 0.965 271 K CB 0.411 32.882 32.500 -0.049 0.000 0.983 271 K HN 0.374 nan 8.250 nan 0.000 0.531 272 G N 1.519 110.545 108.800 0.378 0.000 2.353 272 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.239 272 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.239 272 G C -0.796 174.340 174.900 0.394 0.000 1.295 272 G CA -0.239 45.068 45.100 0.344 0.000 0.884 272 G HN 0.077 nan 8.290 nan 0.000 0.537 273 W N 2.313 123.675 121.300 0.103 0.000 2.216 273 W HA 0.345 5.005 4.660 -0.000 0.000 0.326 273 W C 1.050 177.632 176.519 0.105 0.000 1.319 273 W CA -1.085 56.361 57.345 0.169 0.000 1.213 273 W CB 0.077 29.749 29.460 0.353 0.000 1.171 273 W HN 0.548 nan 8.180 nan 0.000 0.557 274 F N 2.231 122.224 119.950 0.072 0.000 2.095 274 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 274 F C 1.043 176.878 175.800 0.059 0.000 1.104 274 F CA 2.334 60.278 58.000 -0.093 0.000 1.232 274 F CB -0.004 38.741 39.000 -0.425 0.000 0.987 274 F HN 0.010 nan 8.300 nan 0.000 0.475 275 V N -3.695 116.378 119.914 0.265 0.000 3.206 275 V HA 0.301 4.421 4.120 -0.000 0.000 0.305 275 V C 0.671 176.799 176.094 0.057 0.000 1.257 275 V CA -0.735 61.655 62.300 0.150 0.000 1.057 275 V CB 1.321 33.189 31.823 0.076 0.000 1.075 275 V HN 0.087 nan 8.190 nan 0.000 0.443 276 E N 1.568 121.449 120.200 -0.532 0.000 2.171 276 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 276 E C 1.719 178.261 176.600 -0.097 0.000 0.997 276 E CA 2.043 57.886 56.400 -0.928 0.000 0.810 276 E CB -0.375 28.627 29.700 -1.163 0.000 0.738 276 E HN 1.098 nan 8.360 nan 0.000 0.467 277 G N -0.223 108.555 108.800 -0.037 0.000 2.848 277 G HA2 0.001 3.961 3.960 -0.000 0.000 0.208 277 G HA3 0.001 3.961 3.960 -0.000 0.000 0.208 277 G C 0.531 175.461 174.900 0.051 0.000 1.152 277 G CA -0.162 44.963 45.100 0.041 0.000 0.789 277 G HN 0.118 nan 8.290 nan 0.000 0.531 278 M N 1.176 120.804 119.600 0.047 0.000 2.236 278 M HA 0.257 4.737 4.480 -0.000 0.000 0.228 278 M C -2.778 173.299 176.300 -0.372 0.000 0.906 278 M CA -1.746 53.505 55.300 -0.082 0.000 0.761 278 M CB 2.420 34.918 32.600 -0.170 0.000 1.439 278 M HN -0.232 nan 8.290 nan 0.000 0.394 279 P HA -0.063 nan 4.420 nan 0.000 0.263 279 P C -0.868 175.862 177.300 -0.950 0.000 1.175 279 P CA 0.470 62.634 63.100 -1.559 0.000 0.761 279 P CB 0.423 31.652 31.700 -0.785 0.000 0.794 280 D N 2.367 122.048 120.400 -1.197 0.000 2.232 280 D HA 0.248 4.888 4.640 -0.000 0.000 0.242 280 D C -0.374 175.738 176.300 -0.314 0.000 1.093 280 D CA -0.371 53.335 54.000 -0.490 0.000 0.845 280 D CB 0.345 40.980 40.800 -0.275 0.000 1.124 280 D HN 0.181 nan 8.370 nan 0.000 0.467 281 L N 3.584 124.651 121.223 -0.260 0.000 2.367 281 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 281 L C 0.552 177.198 176.870 -0.372 0.000 1.129 281 L CA -0.529 54.110 54.840 -0.334 0.000 0.839 281 L CB 0.505 42.356 42.059 -0.348 0.000 1.133 281 L HN 0.458 nan 8.230 nan 0.000 0.453 282 N N 2.793 121.234 118.700 -0.431 0.000 2.508 282 N HA 0.036 4.776 4.740 -0.000 0.000 0.253 282 N C 0.507 175.734 175.510 -0.471 0.000 1.145 282 N CA 0.141 52.958 53.050 -0.389 0.000 0.973 282 N CB 0.626 38.912 38.487 -0.335 0.000 1.305 282 N HN 0.519 nan 8.380 nan 0.000 0.506 283 Q N 0.319 119.848 119.800 -0.452 0.000 2.482 283 Q HA -0.033 4.307 4.340 -0.000 0.000 0.209 283 Q C 1.444 177.276 176.000 -0.281 0.000 0.961 283 Q CA 0.878 56.358 55.803 -0.537 0.000 0.945 283 Q CB 0.227 28.434 28.738 -0.885 0.000 1.012 283 Q HN 0.714 nan 8.270 nan 0.000 0.515 284 T N -2.023 112.405 114.554 -0.210 0.000 3.055 284 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 284 T C 0.910 175.518 174.700 -0.154 0.000 1.111 284 T CA 0.081 62.107 62.100 -0.123 0.000 1.118 284 T CB -0.036 68.775 68.868 -0.094 0.000 0.909 284 T HN 0.033 nan 8.240 nan 0.000 0.501 285 N N 3.048 121.599 118.700 -0.249 0.000 2.420 285 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 285 N C -1.600 173.750 175.510 -0.266 0.000 1.144 285 N CA -2.078 50.810 53.050 -0.270 0.000 0.952 285 N CB 1.756 40.017 38.487 -0.376 0.000 1.081 285 N HN 0.098 nan 8.380 nan 0.000 0.480 286 P HA -0.146 nan 4.420 nan 0.000 0.219 286 P C 1.529 178.736 177.300 -0.154 0.000 1.146 286 P CA 1.026 64.054 63.100 -0.121 0.000 0.808 286 P CB 0.408 32.059 31.700 -0.081 0.000 0.779 287 L N -1.090 119.977 121.223 -0.260 0.000 2.083 287 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 287 L C 2.659 179.376 176.870 -0.255 0.000 1.083 287 L CA 1.155 55.833 54.840 -0.269 0.000 0.752 287 L CB -1.088 40.695 42.059 -0.460 0.000 0.899 287 L HN -0.144 nan 8.230 nan 0.000 0.433 288 V N 0.073 119.609 119.914 -0.631 0.000 2.379 288 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 288 V C 2.783 178.701 176.094 -0.293 0.000 1.044 288 V CA 1.656 63.480 62.300 -0.794 0.000 1.036 288 V CB -0.760 30.389 31.823 -1.123 0.000 0.664 288 V HN 0.445 nan 8.190 nan 0.000 0.453 289 A N 0.737 123.433 122.820 -0.207 0.000 1.865 289 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 289 A C 2.068 179.793 177.584 0.235 0.000 1.191 289 A CA 2.229 54.325 52.037 0.099 0.000 0.623 289 A CB -0.784 18.349 19.000 0.220 0.000 0.826 289 A HN 0.585 nan 8.150 nan 0.000 0.444 290 N N -1.450 117.329 118.700 0.132 0.000 2.149 290 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 290 N C 1.571 177.204 175.510 0.205 0.000 1.019 290 N CA 1.766 54.901 53.050 0.142 0.000 0.857 290 N CB -0.677 37.873 38.487 0.104 0.000 0.997 290 N HN 0.704 nan 8.380 nan 0.000 0.426 291 Y N 1.427 121.815 120.300 0.146 0.000 2.145 291 Y HA -0.087 4.463 4.550 -0.000 0.000 0.286 291 Y C 2.187 178.239 175.900 0.252 0.000 1.145 291 Y CA 1.390 59.640 58.100 0.250 0.000 1.148 291 Y CB -0.288 38.356 38.460 0.307 0.000 0.981 291 Y HN -0.034 nan 8.280 nan 0.000 0.507 292 L N -0.648 120.777 121.223 0.337 0.000 2.072 292 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 292 L C 2.370 179.451 176.870 0.352 0.000 1.079 292 L CA 1.089 56.105 54.840 0.292 0.000 0.752 292 L CB -0.478 41.758 42.059 0.295 0.000 0.906 292 L HN 0.254 nan 8.230 nan 0.000 0.436 293 I N -0.402 120.406 120.570 0.398 0.000 2.127 293 I HA -0.341 3.829 4.170 -0.000 0.000 0.241 293 I C 2.653 178.905 176.117 0.225 0.000 1.075 293 I CA 1.508 62.974 61.300 0.277 0.000 1.334 293 I CB -0.291 37.803 38.000 0.156 0.000 1.040 293 I HN 0.334 nan 8.210 nan 0.000 0.405 294 Q N 0.172 120.097 119.800 0.208 0.000 2.124 294 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 294 Q C 2.094 178.339 176.000 0.408 0.000 0.977 294 Q CA 1.542 57.537 55.803 0.321 0.000 0.850 294 Q CB -0.393 28.392 28.738 0.079 0.000 0.901 294 Q HN 0.535 nan 8.270 nan 0.000 0.429 295 N N 0.762 119.543 118.700 0.136 0.000 2.120 295 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 295 N C 1.195 176.870 175.510 0.274 0.000 1.024 295 N CA 1.257 54.290 53.050 -0.029 0.000 0.852 295 N CB 0.087 38.340 38.487 -0.390 0.000 1.003 295 N HN 0.190 nan 8.380 nan 0.000 0.424 296 N N 0.994 119.894 118.700 0.333 0.000 2.171 296 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 296 N C 1.910 177.650 175.510 0.384 0.000 1.021 296 N CA 0.534 53.829 53.050 0.409 0.000 0.854 296 N CB -0.286 38.438 38.487 0.396 0.000 0.994 296 N HN 0.330 nan 8.380 nan 0.000 0.426 297 I N -0.613 120.167 120.570 0.349 0.000 2.208 297 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 297 I C 2.167 178.450 176.117 0.278 0.000 1.097 297 I CA 1.029 62.525 61.300 0.326 0.000 1.363 297 I CB -0.201 38.002 38.000 0.338 0.000 1.051 297 I HN 0.246 nan 8.210 nan 0.000 0.413 298 W N 0.912 122.359 121.300 0.245 0.000 2.335 298 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 298 W C 2.176 178.823 176.519 0.213 0.000 1.213 298 W CA 1.404 58.899 57.345 0.250 0.000 1.274 298 W CB -0.522 29.130 29.460 0.320 0.000 1.148 298 W HN 0.081 nan 8.180 nan 0.000 0.498 299 W N 0.143 121.720 121.300 0.461 0.000 2.358 299 W HA -0.143 4.517 4.660 0.000 0.000 0.303 299 W C 2.319 178.897 176.519 0.099 0.000 1.208 299 W CA 1.282 58.810 57.345 0.305 0.000 1.274 299 W CB -0.667 28.995 29.460 0.336 0.000 1.138 299 W HN -0.192 nan 8.180 nan 0.000 0.515 300 I N -0.136 120.582 120.570 0.247 0.000 2.179 300 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 300 I C 2.352 178.356 176.117 -0.188 0.000 1.088 300 I CA 1.596 62.869 61.300 -0.045 0.000 1.357 300 I CB -0.513 37.322 38.000 -0.276 0.000 1.051 300 I HN -0.089 nan 8.210 nan 0.000 0.409 301 E N 0.348 120.381 120.200 -0.279 0.000 2.072 301 E HA -0.267 4.083 4.350 -0.000 0.000 0.191 301 E C 2.100 178.530 176.600 -0.283 0.000 0.985 301 E CA 1.399 57.469 56.400 -0.550 0.000 0.801 301 E CB -0.322 28.536 29.700 -1.404 0.000 0.750 301 E HN 0.471 nan 8.360 nan 0.000 0.452 302 Y N -0.060 120.085 120.300 -0.258 0.000 2.200 302 Y HA 0.055 4.605 4.550 -0.000 0.000 0.290 302 Y C 1.717 177.623 175.900 0.010 0.000 1.137 302 Y CA 1.624 59.701 58.100 -0.038 0.000 1.163 302 Y CB -0.388 37.776 38.460 -0.493 0.000 0.988 302 Y HN 0.078 nan 8.280 nan 0.000 0.518 303 A N -0.752 122.040 122.820 -0.046 0.000 2.348 303 A HA 0.423 4.743 4.320 -0.000 0.000 0.224 303 A C 1.578 179.072 177.584 -0.151 0.000 1.227 303 A CA 0.407 52.371 52.037 -0.122 0.000 0.885 303 A CB -1.093 18.017 19.000 0.182 0.000 0.933 303 A HN 0.834 nan 8.150 nan 0.000 0.506 304 G N 0.223 108.945 108.800 -0.131 0.000 2.295 304 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.287 304 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.287 304 G C 0.060 174.873 174.900 -0.144 0.000 1.055 304 G CA 0.443 45.455 45.100 -0.147 0.000 0.922 304 G HN 0.492 nan 8.290 nan 0.000 0.503 305 L N -0.446 120.699 121.223 -0.130 0.000 2.464 305 L HA 0.328 4.668 4.340 -0.000 0.000 0.264 305 L C 1.656 178.459 176.870 -0.112 0.000 1.199 305 L CA 0.059 54.842 54.840 -0.094 0.000 0.818 305 L CB 1.041 43.084 42.059 -0.026 0.000 1.102 305 L HN 0.145 nan 8.230 nan 0.000 0.473 306 S N 0.024 115.704 115.700 -0.033 0.000 2.556 306 S HA 0.361 4.831 4.470 -0.000 0.000 0.216 306 S C 0.396 175.044 174.600 0.079 0.000 0.970 306 S CA 0.389 58.596 58.200 0.012 0.000 0.912 306 S CB 0.416 63.663 63.200 0.079 0.000 0.790 306 S HN 0.950 nan 8.310 nan 0.000 0.504 307 G N 0.410 109.265 108.800 0.092 0.000 2.343 307 G HA2 0.365 4.325 3.960 -0.000 0.000 0.289 307 G HA3 0.365 4.325 3.960 -0.000 0.000 0.289 307 G C -2.270 172.739 174.900 0.182 0.000 1.295 307 G CA -0.994 44.203 45.100 0.162 0.000 0.869 307 G HN 0.148 nan 8.290 nan 0.000 0.522 308 L N -0.167 121.181 121.223 0.209 0.000 2.371 308 L HA 0.760 5.100 4.340 -0.000 0.000 0.262 308 L C -0.091 176.793 176.870 0.023 0.000 1.006 308 L CA -1.146 53.753 54.840 0.100 0.000 0.818 308 L CB 2.402 44.538 42.059 0.128 0.000 1.354 308 L HN 0.595 nan 8.230 nan 0.000 0.415 309 R N 2.484 122.878 120.500 -0.176 0.000 2.343 309 R HA 0.584 4.924 4.340 -0.000 0.000 0.320 309 R C -1.503 174.717 176.300 -0.133 0.000 0.956 309 R CA -0.467 55.424 56.100 -0.349 0.000 0.836 309 R CB 1.163 30.856 30.300 -1.012 0.000 1.151 309 R HN 0.612 nan 8.270 nan 0.000 0.450 310 I N 3.699 124.248 120.570 -0.035 0.000 2.328 310 I HA 0.138 4.308 4.170 -0.000 0.000 0.287 310 I C 0.257 176.441 176.117 0.111 0.000 1.012 310 I CA -0.797 60.554 61.300 0.086 0.000 1.195 310 I CB 1.559 39.690 38.000 0.218 0.000 1.350 310 I HN 0.524 nan 8.210 nan 0.000 0.464 311 D N 4.220 124.680 120.400 0.100 0.000 2.361 311 D HA 0.058 4.698 4.640 -0.000 0.000 0.239 311 D C 0.520 176.874 176.300 0.091 0.000 1.200 311 D CA 0.566 54.631 54.000 0.109 0.000 0.915 311 D CB 0.751 41.629 40.800 0.131 0.000 1.170 311 D HN 0.760 nan 8.370 nan 0.000 0.444 312 T N 0.300 114.916 114.554 0.104 0.000 3.473 312 T HA -0.336 4.014 4.350 -0.000 0.000 0.403 312 T C 0.884 175.751 174.700 0.277 0.000 0.768 312 T CA 1.191 63.403 62.100 0.186 0.000 2.009 312 T CB -2.209 66.579 68.868 -0.134 0.000 1.715 312 T HN 0.521 nan 8.240 nan 0.000 0.666 313 Y N 1.808 122.163 120.300 0.093 0.000 2.070 313 Y HA 0.046 4.596 4.550 -0.000 0.000 0.280 313 Y C 2.406 178.169 175.900 -0.228 0.000 1.148 313 Y CA 2.302 60.320 58.100 -0.137 0.000 1.125 313 Y CB -0.803 37.476 38.460 -0.302 0.000 0.975 313 Y HN 0.544 nan 8.280 nan 0.000 0.492 314 G N -2.468 106.235 108.800 -0.161 0.000 2.848 314 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.208 314 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.208 314 G C 0.889 175.790 174.900 0.003 0.000 1.152 314 G CA 0.165 45.190 45.100 -0.125 0.000 0.789 314 G HN 0.526 nan 8.290 nan 0.000 0.531 315 Y N 1.117 121.291 120.300 -0.211 0.000 2.583 315 Y HA 0.174 4.724 4.550 -0.000 0.000 0.293 315 Y C 1.622 177.383 175.900 -0.232 0.000 1.157 315 Y CA -0.059 57.779 58.100 -0.437 0.000 1.315 315 Y CB 0.271 38.531 38.460 -0.334 0.000 1.021 315 Y HN 0.025 nan 8.280 nan 0.000 0.536 316 S N 0.050 115.711 115.700 -0.065 0.000 2.610 316 S HA 0.048 4.518 4.470 -0.000 0.000 0.273 316 S C -0.486 174.137 174.600 0.038 0.000 1.274 316 S CA -0.973 57.193 58.200 -0.056 0.000 1.023 316 S CB 0.667 63.836 63.200 -0.051 0.000 0.962 316 S HN 0.253 nan 8.310 nan 0.000 0.523 317 D N 1.021 121.457 120.400 0.060 0.000 2.533 317 D HA 0.166 4.806 4.640 -0.000 0.000 0.236 317 D C 1.415 177.866 176.300 0.252 0.000 1.137 317 D CA 0.571 54.651 54.000 0.134 0.000 0.867 317 D CB 0.435 41.287 40.800 0.087 0.000 1.170 317 D HN 0.513 nan 8.370 nan 0.000 0.474 318 G N 3.145 112.100 108.800 0.259 0.000 2.440 318 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 318 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 318 G C 1.445 176.615 174.900 0.449 0.000 1.154 318 G CA 0.813 46.145 45.100 0.386 0.000 0.767 318 G HN 0.643 nan 8.290 nan 0.000 0.552 319 A N 0.398 123.403 122.820 0.308 0.000 1.930 319 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 319 A C 2.153 179.853 177.584 0.193 0.000 1.175 319 A CA 1.567 53.737 52.037 0.222 0.000 0.627 319 A CB -0.538 18.553 19.000 0.151 0.000 0.815 319 A HN 0.472 nan 8.150 nan 0.000 0.443 320 F N 0.792 120.793 119.950 0.085 0.000 2.095 320 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 320 F C 1.799 177.667 175.800 0.113 0.000 1.104 320 F CA 1.828 59.863 58.000 0.058 0.000 1.232 320 F CB -0.410 38.584 39.000 -0.011 0.000 0.987 320 F HN 0.141 nan 8.300 nan 0.000 0.475 321 L N -0.239 120.930 121.223 -0.089 0.000 2.083 321 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 321 L C 2.394 179.289 176.870 0.040 0.000 1.083 321 L CA 1.813 56.564 54.840 -0.148 0.000 0.752 321 L CB -1.172 40.937 42.059 0.083 0.000 0.899 321 L HN 0.195 nan 8.230 nan 0.000 0.433 322 T N -0.960 113.662 114.554 0.114 0.000 2.684 322 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 322 T C 1.768 176.463 174.700 -0.009 0.000 1.036 322 T CA 1.784 63.907 62.100 0.038 0.000 1.148 322 T CB -0.151 68.681 68.868 -0.061 0.000 0.863 322 T HN 0.449 nan 8.240 nan 0.000 0.436 323 E N -0.226 119.938 120.200 -0.060 0.000 2.072 323 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 323 E C 2.102 178.615 176.600 -0.145 0.000 0.985 323 E CA 0.852 57.197 56.400 -0.092 0.000 0.801 323 E CB -0.289 29.380 29.700 -0.052 0.000 0.750 323 E HN 0.644 nan 8.360 nan 0.000 0.452 324 Y N 1.946 121.988 120.300 -0.429 0.000 2.145 324 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 324 Y C 2.576 178.361 175.900 -0.191 0.000 1.145 324 Y CA 2.767 60.617 58.100 -0.416 0.000 1.148 324 Y CB -0.715 37.238 38.460 -0.845 0.000 0.981 324 Y HN 0.211 nan 8.280 nan 0.000 0.507 325 T N -1.263 113.345 114.554 0.089 0.000 2.821 325 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 325 T C 2.089 176.727 174.700 -0.103 0.000 1.046 325 T CA 1.363 63.516 62.100 0.088 0.000 1.139 325 T CB -0.562 68.475 68.868 0.281 0.000 0.871 325 T HN 0.412 nan 8.240 nan 0.000 0.454 326 R N 0.799 121.180 120.500 -0.198 0.000 2.073 326 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 326 R C 2.805 178.890 176.300 -0.358 0.000 1.134 326 R CA 1.026 56.820 56.100 -0.511 0.000 0.952 326 R CB -0.135 29.942 30.300 -0.372 0.000 0.850 326 R HN 0.253 nan 8.270 nan 0.000 0.433 327 R N 0.477 120.814 120.500 -0.272 0.000 2.073 327 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 327 R C 2.306 178.465 176.300 -0.235 0.000 1.134 327 R CA 0.951 56.904 56.100 -0.244 0.000 0.952 327 R CB -0.721 29.428 30.300 -0.251 0.000 0.850 327 R HN 0.308 nan 8.270 nan 0.000 0.433 328 L N 0.330 121.379 121.223 -0.291 0.000 2.017 328 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 328 L C 2.309 179.133 176.870 -0.077 0.000 1.073 328 L CA 1.433 56.160 54.840 -0.188 0.000 0.745 328 L CB -0.626 41.257 42.059 -0.294 0.000 0.894 328 L HN 0.178 nan 8.230 nan 0.000 0.432 329 M N -1.024 118.514 119.600 -0.103 0.000 2.394 329 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 329 M C 2.375 178.621 176.300 -0.090 0.000 1.073 329 M CA 1.117 56.390 55.300 -0.044 0.000 1.111 329 M CB -1.342 31.268 32.600 0.016 0.000 1.401 329 M HN 0.173 nan 8.290 nan 0.000 0.448 330 A N 0.265 122.988 122.820 -0.162 0.000 1.930 330 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 330 A C 2.122 179.596 177.584 -0.184 0.000 1.175 330 A CA 1.232 53.182 52.037 -0.145 0.000 0.627 330 A CB -0.307 18.610 19.000 -0.138 0.000 0.815 330 A HN 0.374 nan 8.150 nan 0.000 0.443 331 E N -0.951 119.073 120.200 -0.294 0.000 2.072 331 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 331 E C -0.347 175.839 176.600 -0.689 0.000 0.985 331 E CA 0.984 57.021 56.400 -0.605 0.000 0.801 331 E CB -0.200 28.915 29.700 -0.975 0.000 0.750 331 E HN 0.734 nan 8.360 nan 0.000 0.452 332 Y N 0.385 120.639 120.300 -0.077 0.000 2.748 332 Y HA 0.228 4.778 4.550 0.000 0.000 0.359 332 Y C -1.717 174.143 175.900 -0.067 0.000 1.030 332 Y CA -2.390 55.663 58.100 -0.077 0.000 1.169 332 Y CB 1.179 39.586 38.460 -0.087 0.000 1.127 332 Y HN -0.019 nan 8.280 nan 0.000 0.644 333 P HA -0.135 nan 4.420 nan 0.000 0.222 333 P C 0.683 177.989 177.300 0.011 0.000 1.147 333 P CA 1.298 64.408 63.100 0.017 0.000 0.790 333 P CB 0.419 32.118 31.700 -0.001 0.000 0.780 334 R N -1.347 119.159 120.500 0.010 0.000 2.359 334 R HA 0.200 4.540 4.340 -0.000 0.000 0.231 334 R C 0.850 177.109 176.300 -0.069 0.000 0.913 334 R CA -0.638 55.443 56.100 -0.030 0.000 1.075 334 R CB -0.263 30.020 30.300 -0.029 0.000 1.087 334 R HN 0.158 nan 8.270 nan 0.000 0.515 335 L N 0.931 122.127 121.223 -0.044 0.000 2.476 335 L HA 0.082 4.422 4.340 -0.000 0.000 0.264 335 L C 0.024 176.756 176.870 -0.231 0.000 1.224 335 L CA 0.468 55.239 54.840 -0.114 0.000 0.821 335 L CB 0.440 42.474 42.059 -0.043 0.000 1.101 335 L HN -0.039 nan 8.230 nan 0.000 0.488 336 N N 2.168 120.613 118.700 -0.424 0.000 2.269 336 N HA 0.584 5.324 4.740 -0.000 0.000 0.304 336 N C -1.632 173.631 175.510 -0.412 0.000 1.072 336 N CA -0.429 52.229 53.050 -0.653 0.000 0.802 336 N CB 1.476 39.056 38.487 -1.513 0.000 1.348 336 N HN 0.506 nan 8.380 nan 0.000 0.484 337 M N 1.861 121.348 119.600 -0.189 0.000 2.267 337 M HA 0.287 4.767 4.480 -0.000 0.000 0.289 337 M C -1.050 175.278 176.300 0.046 0.000 1.043 337 M CA -1.026 54.295 55.300 0.036 0.000 0.928 337 M CB 2.508 35.159 32.600 0.086 0.000 1.613 337 M HN 0.136 nan 8.290 nan 0.000 0.450 338 V N 3.050 123.030 119.914 0.110 0.000 2.347 338 V HA 0.765 4.885 4.120 -0.000 0.000 0.280 338 V C 0.115 176.145 176.094 -0.106 0.000 1.021 338 V CA -0.066 62.236 62.300 0.003 0.000 0.847 338 V CB 1.300 33.133 31.823 0.017 0.000 0.990 338 V HN 0.949 nan 8.190 nan 0.000 0.444 339 G N 4.633 113.313 108.800 -0.200 0.000 2.444 339 G HA2 0.313 4.273 3.960 -0.000 0.000 0.268 339 G HA3 0.313 4.273 3.960 -0.000 0.000 0.268 339 G C -0.373 174.461 174.900 -0.110 0.000 1.203 339 G CA -0.318 44.604 45.100 -0.296 0.000 0.835 339 G HN 0.745 nan 8.290 nan 0.000 0.543 340 Q N 0.942 120.771 119.800 0.048 0.000 2.503 340 Q HA 0.175 4.515 4.340 -0.000 0.000 0.227 340 Q C -0.812 175.356 176.000 0.281 0.000 1.109 340 Q CA -0.431 55.488 55.803 0.194 0.000 0.922 340 Q CB 0.768 29.615 28.738 0.183 0.000 1.249 340 Q HN 0.531 nan 8.270 nan 0.000 0.530 341 E N 4.882 125.260 120.200 0.296 0.000 2.070 341 E HA 0.060 4.410 4.350 -0.000 0.000 0.261 341 E C -1.494 175.293 176.600 0.312 0.000 0.926 341 E CA -0.461 56.117 56.400 0.298 0.000 0.760 341 E CB 0.241 30.095 29.700 0.257 0.000 1.133 341 E HN 0.444 nan 8.360 nan 0.000 0.420 342 W N 5.394 126.655 121.300 -0.064 0.000 2.290 342 W HA 0.421 5.081 4.660 -0.000 0.000 0.408 342 W C -0.826 175.509 176.519 -0.307 0.000 0.966 342 W CA -0.517 56.438 57.345 -0.650 0.000 1.579 342 W CB -0.105 28.960 29.460 -0.657 0.000 1.662 342 W HN 0.434 nan 8.180 nan 0.000 0.341 343 S N 2.645 118.473 115.700 0.214 0.000 2.546 343 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 343 S C 0.439 175.212 174.600 0.288 0.000 1.121 343 S CA -0.432 57.907 58.200 0.231 0.000 0.887 343 S CB 1.646 64.964 63.200 0.197 0.000 1.094 343 S HN 0.130 nan 8.310 nan 0.000 0.474 344 T N 3.141 117.839 114.554 0.240 0.000 3.144 344 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 344 T C 0.401 175.199 174.700 0.162 0.000 1.089 344 T CA 0.220 62.460 62.100 0.233 0.000 0.989 344 T CB -0.152 68.839 68.868 0.206 0.000 0.992 344 T HN 0.384 nan 8.240 nan 0.000 0.540 345 R N 1.085 121.667 120.500 0.136 0.000 2.196 345 R HA 0.344 4.684 4.340 -0.000 0.000 0.340 345 R C 0.922 177.268 176.300 0.077 0.000 1.043 345 R CA -0.305 55.844 56.100 0.081 0.000 0.883 345 R CB 1.085 31.413 30.300 0.047 0.000 1.078 345 R HN 0.024 nan 8.270 nan 0.000 0.462 346 V N 5.482 125.418 119.914 0.036 0.000 2.282 346 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 346 V C -0.948 175.058 176.094 -0.148 0.000 1.057 346 V CA 1.807 64.089 62.300 -0.029 0.000 1.032 346 V CB -0.906 30.854 31.823 -0.104 0.000 0.645 346 V HN 0.651 nan 8.190 nan 0.000 0.447 347 P HA -0.103 nan 4.420 nan 0.000 0.218 347 P C 1.882 179.130 177.300 -0.088 0.000 1.148 347 P CA 1.201 64.211 63.100 -0.149 0.000 0.822 347 P CB -0.077 31.555 31.700 -0.112 0.000 0.784 348 V N -0.725 119.184 119.914 -0.009 0.000 2.427 348 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 348 V C 2.425 178.625 176.094 0.177 0.000 1.051 348 V CA 1.604 63.936 62.300 0.053 0.000 1.048 348 V CB -1.026 30.853 31.823 0.092 0.000 0.666 348 V HN -0.025 nan 8.190 nan 0.000 0.456 349 V N 0.317 120.366 119.914 0.226 0.000 2.379 349 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 349 V C 2.679 178.988 176.094 0.358 0.000 1.044 349 V CA 1.781 64.318 62.300 0.395 0.000 1.036 349 V CB -1.048 31.035 31.823 0.434 0.000 0.664 349 V HN 0.533 nan 8.190 nan 0.000 0.453 350 A N 0.018 122.877 122.820 0.066 0.000 2.019 350 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 350 A C 2.370 179.968 177.584 0.024 0.000 1.164 350 A CA 1.474 53.472 52.037 -0.066 0.000 0.644 350 A CB -0.610 18.034 19.000 -0.592 0.000 0.805 350 A HN 0.370 nan 8.150 nan 0.000 0.449 351 R N -0.818 119.634 120.500 -0.079 0.000 2.133 351 R HA -0.221 4.119 4.340 -0.000 0.000 0.247 351 R C 1.455 177.675 176.300 -0.133 0.000 1.151 351 R CA 2.046 58.011 56.100 -0.225 0.000 0.971 351 R CB -0.429 29.542 30.300 -0.548 0.000 0.866 351 R HN 0.771 nan 8.270 nan 0.000 0.447 352 W N 0.638 122.034 121.300 0.160 0.000 3.003 352 W HA 0.166 4.826 4.660 -0.000 0.000 0.257 352 W C 1.005 177.617 176.519 0.155 0.000 1.308 352 W CA -0.515 56.960 57.345 0.217 0.000 1.529 352 W CB 0.174 29.724 29.460 0.151 0.000 1.115 352 W HN 0.105 nan 8.180 nan 0.000 0.659 353 Q N 2.602 122.587 119.800 0.308 0.000 2.327 353 Q HA 0.101 4.441 4.340 -0.000 0.000 0.254 353 Q C 0.842 176.919 176.000 0.128 0.000 0.952 353 Q CA -0.663 55.260 55.803 0.200 0.000 0.884 353 Q CB 0.690 29.550 28.738 0.204 0.000 1.224 353 Q HN 0.125 nan 8.270 nan 0.000 0.422 354 R N 2.110 122.653 120.500 0.072 0.000 2.583 354 R HA 0.111 4.451 4.340 -0.000 0.000 0.274 354 R C 0.589 176.873 176.300 -0.026 0.000 0.998 354 R CA 0.722 56.810 56.100 -0.019 0.000 1.081 354 R CB -0.137 30.125 30.300 -0.064 0.000 0.940 354 R HN 0.899 nan 8.270 nan 0.000 0.413 355 G N 1.399 110.159 108.800 -0.067 0.000 2.175 355 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.244 355 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.244 355 G C 0.004 174.896 174.900 -0.014 0.000 0.982 355 G CA 0.410 45.483 45.100 -0.046 0.000 0.641 355 G HN 0.717 nan 8.290 nan 0.000 0.527 356 K N 1.501 121.905 120.400 0.006 0.000 2.368 356 K HA 0.646 4.966 4.320 -0.000 0.000 0.282 356 K C 0.540 177.140 176.600 -0.000 0.000 1.035 356 K CA 0.549 56.846 56.287 0.016 0.000 0.973 356 K CB 0.706 33.227 32.500 0.036 0.000 0.957 356 K HN 0.841 nan 8.250 nan 0.000 0.474 357 A N 5.176 127.998 122.820 0.003 0.000 2.391 357 A HA 0.277 4.597 4.320 -0.000 0.000 0.316 357 A C -0.679 176.911 177.584 0.009 0.000 1.381 357 A CA -0.572 51.464 52.037 -0.001 0.000 0.998 357 A CB -0.526 18.477 19.000 0.006 0.000 1.147 357 A HN 0.935 nan 8.150 nan 0.000 0.545 358 N N 0.817 119.512 118.700 -0.009 0.000 2.509 358 N HA 0.418 5.158 4.740 -0.000 0.000 0.287 358 N C 0.810 176.297 175.510 -0.039 0.000 1.121 358 N CA -0.520 52.523 53.050 -0.011 0.000 0.977 358 N CB 0.746 39.201 38.487 -0.053 0.000 1.167 358 N HN 0.672 nan 8.380 nan 0.000 0.476 359 F N 0.759 120.677 119.950 -0.053 0.000 2.269 359 F HA -0.073 4.454 4.527 0.000 0.000 0.301 359 F C 1.246 177.019 175.800 -0.045 0.000 1.082 359 F CA 0.803 58.769 58.000 -0.056 0.000 1.360 359 F CB -0.191 38.760 39.000 -0.082 0.000 1.041 359 F HN 0.417 nan 8.300 nan 0.000 0.512 360 D N -0.897 118.850 120.400 -1.088 0.000 2.363 360 D HA 0.194 4.834 4.640 -0.000 0.000 0.214 360 D C 1.804 177.899 176.300 -0.342 0.000 1.093 360 D CA 0.301 53.813 54.000 -0.815 0.000 0.837 360 D CB -0.263 39.870 40.800 -1.110 0.000 0.948 360 D HN 0.482 nan 8.370 nan 0.000 0.507 361 G N 0.379 109.038 108.800 -0.235 0.000 2.155 361 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 361 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 361 G C -0.060 174.784 174.900 -0.093 0.000 0.983 361 G CA 0.253 45.279 45.100 -0.124 0.000 0.676 361 G HN 0.524 nan 8.290 nan 0.000 0.528 362 Y N 2.696 122.870 120.300 -0.210 0.000 2.620 362 Y HA 0.409 4.959 4.550 0.000 0.000 0.330 362 Y C 1.114 176.965 175.900 -0.082 0.000 1.186 362 Y CA 0.706 58.718 58.100 -0.146 0.000 1.467 362 Y CB 0.544 38.879 38.460 -0.209 0.000 1.262 362 Y HN 0.452 nan 8.280 nan 0.000 0.550 363 T N 2.285 116.393 114.554 -0.743 0.000 2.912 363 T HA 0.698 5.048 4.350 -0.000 0.000 0.288 363 T C -0.639 173.728 174.700 -0.555 0.000 1.030 363 T CA -0.874 60.946 62.100 -0.466 0.000 1.020 363 T CB 1.706 70.430 68.868 -0.240 0.000 1.056 363 T HN 0.619 nan 8.240 nan 0.000 0.480 364 S N -0.445 115.144 115.700 -0.186 0.000 2.537 364 S HA 0.452 4.922 4.470 -0.000 0.000 0.270 364 S C -1.063 173.552 174.600 0.024 0.000 1.142 364 S CA -0.644 57.586 58.200 0.049 0.000 0.870 364 S CB 1.257 64.639 63.200 0.304 0.000 1.112 364 S HN 0.870 nan 8.310 nan 0.000 0.466 365 H N 1.678 120.792 119.070 0.073 0.000 2.542 365 H HA 0.386 4.942 4.556 -0.000 0.000 0.283 365 H C -0.040 175.332 175.328 0.073 0.000 1.059 365 H CA -0.212 55.866 56.048 0.050 0.000 1.162 365 H CB 0.384 30.157 29.762 0.017 0.000 1.539 365 H HN 0.327 nan 8.280 nan 0.000 0.543 366 L N 2.516 123.863 121.223 0.206 0.000 2.500 366 L HA 0.156 4.495 4.340 -0.000 0.000 0.272 366 L C -1.796 175.111 176.870 0.062 0.000 1.149 366 L CA -1.268 53.657 54.840 0.142 0.000 0.897 366 L CB 1.027 43.159 42.059 0.122 0.000 1.178 366 L HN -0.023 nan 8.230 nan 0.000 0.473 367 P HA 0.012 nan 4.420 nan 0.000 0.222 367 P C -0.350 176.925 177.300 -0.041 0.000 1.153 367 P CA 0.499 63.581 63.100 -0.031 0.000 0.798 367 P CB 0.396 32.040 31.700 -0.093 0.000 0.796 368 S N -1.692 113.983 115.700 -0.042 0.000 2.579 368 S HA 0.695 5.165 4.470 -0.000 0.000 0.272 368 S C -1.841 172.731 174.600 -0.046 0.000 1.141 368 S CA -0.613 57.565 58.200 -0.038 0.000 0.843 368 S CB 0.346 63.538 63.200 -0.014 0.000 1.122 368 S HN -0.202 nan 8.310 nan 0.000 0.468 369 L N 2.220 123.424 121.223 -0.031 0.000 2.409 369 L HA 0.634 4.974 4.340 -0.000 0.000 0.255 369 L C -0.608 176.255 176.870 -0.011 0.000 1.027 369 L CA -0.776 54.055 54.840 -0.016 0.000 0.834 369 L CB 1.763 43.877 42.059 0.090 0.000 1.426 369 L HN 0.553 nan 8.230 nan 0.000 0.411 370 M N 1.332 120.930 119.600 -0.003 0.000 2.188 370 M HA 0.087 4.567 4.480 -0.000 0.000 0.354 370 M C -0.117 176.207 176.300 0.039 0.000 1.342 370 M CA -0.044 55.210 55.300 -0.078 0.000 1.117 370 M CB 0.196 32.557 32.600 -0.398 0.000 1.670 370 M HN 0.422 nan 8.290 nan 0.000 0.466 371 D N 3.253 123.683 120.400 0.050 0.000 2.845 371 D HA 0.096 4.736 4.640 -0.000 0.000 0.235 371 D C 0.809 177.104 176.300 -0.009 0.000 1.158 371 D CA -0.078 53.934 54.000 0.021 0.000 0.990 371 D CB -0.336 40.412 40.800 -0.087 0.000 1.094 371 D HN 0.350 nan 8.370 nan 0.000 0.486 372 F N 0.889 120.954 119.950 0.192 0.000 2.126 372 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 372 F C -0.482 175.372 175.800 0.089 0.000 1.096 372 F CA 0.875 58.959 58.000 0.139 0.000 1.255 372 F CB -1.383 37.696 39.000 0.132 0.000 0.997 372 F HN 0.325 nan 8.300 nan 0.000 0.479 373 P HA -0.188 nan 4.420 nan 0.000 0.215 373 P C 1.899 179.274 177.300 0.125 0.000 1.153 373 P CA 1.234 64.457 63.100 0.206 0.000 0.853 373 P CB -0.008 31.814 31.700 0.203 0.000 0.788 374 L N -1.038 120.240 121.223 0.091 0.000 2.179 374 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 374 L C 2.148 179.045 176.870 0.045 0.000 1.096 374 L CA 1.444 56.339 54.840 0.092 0.000 0.779 374 L CB -1.009 41.122 42.059 0.120 0.000 0.922 374 L HN -0.221 nan 8.230 nan 0.000 0.443 375 V N -0.213 119.637 119.914 -0.107 0.000 2.295 375 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 375 V C 2.279 178.335 176.094 -0.064 0.000 1.049 375 V CA 2.032 64.203 62.300 -0.215 0.000 1.024 375 V CB -0.713 30.689 31.823 -0.702 0.000 0.648 375 V HN 0.526 nan 8.190 nan 0.000 0.447 376 D N 0.076 120.492 120.400 0.026 0.000 2.117 376 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 376 D C 2.107 178.424 176.300 0.029 0.000 0.987 376 D CA 1.473 55.520 54.000 0.078 0.000 0.829 376 D CB -0.145 40.748 40.800 0.155 0.000 0.961 376 D HN 0.378 nan 8.370 nan 0.000 0.460 377 A N -0.050 122.778 122.820 0.013 0.000 1.877 377 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 377 A C 2.157 179.684 177.584 -0.094 0.000 1.186 377 A CA 1.963 53.983 52.037 -0.029 0.000 0.620 377 A CB -0.750 18.235 19.000 -0.025 0.000 0.822 377 A HN 0.371 nan 8.150 nan 0.000 0.443 378 M N -0.129 119.389 119.600 -0.137 0.000 2.132 378 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 378 M C 2.008 178.230 176.300 -0.130 0.000 1.065 378 M CA 1.469 56.623 55.300 -0.244 0.000 1.122 378 M CB -0.528 31.814 32.600 -0.429 0.000 1.365 378 M HN 0.379 nan 8.290 nan 0.000 0.411 379 R N -0.297 120.164 120.500 -0.064 0.000 2.096 379 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 379 R C 1.873 178.164 176.300 -0.014 0.000 1.127 379 R CA 1.499 57.588 56.100 -0.019 0.000 0.968 379 R CB -0.680 29.630 30.300 0.016 0.000 0.861 379 R HN 0.468 nan 8.270 nan 0.000 0.440 380 N N 0.854 119.543 118.700 -0.018 0.000 2.120 380 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 380 N C 1.682 177.172 175.510 -0.033 0.000 1.024 380 N CA 1.518 54.559 53.050 -0.014 0.000 0.852 380 N CB -0.359 38.121 38.487 -0.011 0.000 1.003 380 N HN 0.205 nan 8.380 nan 0.000 0.424 381 A N 0.944 123.725 122.820 -0.065 0.000 1.933 381 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 381 A C 2.243 179.798 177.584 -0.048 0.000 1.175 381 A CA 0.967 52.959 52.037 -0.075 0.000 0.628 381 A CB -0.586 18.334 19.000 -0.133 0.000 0.814 381 A HN 0.237 nan 8.150 nan 0.000 0.444 382 L N 0.030 121.227 121.223 -0.042 0.000 2.418 382 L HA -0.039 4.301 4.340 -0.000 0.000 0.218 382 L C 2.608 179.479 176.870 0.002 0.000 1.125 382 L CA 1.101 55.933 54.840 -0.014 0.000 0.835 382 L CB -0.110 41.945 42.059 -0.006 0.000 0.953 382 L HN 0.585 nan 8.230 nan 0.000 0.454 383 S N -1.245 114.454 115.700 -0.002 0.000 2.468 383 S HA 0.017 4.487 4.470 -0.000 0.000 0.226 383 S C 1.171 175.772 174.600 0.002 0.000 1.051 383 S CA -0.178 58.024 58.200 0.003 0.000 0.943 383 S CB -0.089 63.116 63.200 0.008 0.000 0.810 383 S HN 0.201 nan 8.310 nan 0.000 0.509 384 K N 3.307 123.706 120.400 -0.002 0.000 2.502 384 K HA 0.166 4.486 4.320 -0.000 0.000 0.244 384 K C 0.909 177.508 176.600 -0.002 0.000 1.249 384 K CA 0.344 56.630 56.287 -0.001 0.000 1.193 384 K CB -0.076 32.422 32.500 -0.004 0.000 1.674 384 K HN 0.588 nan 8.250 nan 0.000 0.302 385 T N -3.061 111.494 114.554 0.003 0.000 3.051 385 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 385 T C 1.848 176.552 174.700 0.007 0.000 1.127 385 T CA 0.926 63.030 62.100 0.006 0.000 1.107 385 T CB 0.074 68.949 68.868 0.012 0.000 0.898 385 T HN 0.409 nan 8.240 nan 0.000 0.517 386 G N 0.835 109.638 108.800 0.005 0.000 2.650 386 G HA2 0.054 4.014 3.960 -0.000 0.000 0.214 386 G HA3 0.054 4.014 3.960 -0.000 0.000 0.214 386 G C 0.559 175.461 174.900 0.004 0.000 1.136 386 G CA -0.250 44.854 45.100 0.006 0.000 0.789 386 G HN 0.432 nan 8.290 nan 0.000 0.536 387 E N 0.342 120.542 120.200 0.000 0.000 2.373 387 E HA 0.052 4.402 4.350 -0.000 0.000 0.267 387 E C 0.811 177.409 176.600 -0.002 0.000 1.032 387 E CA -0.208 56.190 56.400 -0.003 0.000 0.889 387 E CB 1.519 31.214 29.700 -0.009 0.000 0.984 387 E HN 0.422 nan 8.360 nan 0.000 0.425 388 E N 1.992 122.191 120.200 -0.001 0.000 2.150 388 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 388 E C 0.344 176.942 176.600 -0.003 0.000 0.985 388 E CA 0.801 57.202 56.400 0.001 0.000 0.814 388 E CB 0.286 29.988 29.700 0.003 0.000 0.752 388 E HN 0.254 nan 8.360 nan 0.000 0.466 389 N N -1.086 117.607 118.700 -0.012 0.000 2.622 389 N HA 0.137 4.877 4.740 -0.000 0.000 0.293 389 N C 0.321 175.803 175.510 -0.047 0.000 1.788 389 N CA 0.434 53.469 53.050 -0.025 0.000 0.860 389 N CB 0.670 39.144 38.487 -0.022 0.000 1.388 389 N HN 0.119 nan 8.380 nan 0.000 0.496 390 G N -0.020 108.753 108.800 -0.045 0.000 2.462 390 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 390 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 390 G C 1.263 176.098 174.900 -0.108 0.000 1.121 390 G CA 0.560 45.624 45.100 -0.060 0.000 0.758 390 G HN 0.439 nan 8.290 nan 0.000 0.559 391 L N 0.286 121.426 121.223 -0.139 0.000 2.353 391 L HA -0.063 4.277 4.340 -0.000 0.000 0.220 391 L C 2.554 179.218 176.870 -0.343 0.000 1.133 391 L CA 0.635 55.314 54.840 -0.268 0.000 0.798 391 L CB -0.306 41.601 42.059 -0.253 0.000 0.922 391 L HN 0.220 nan 8.230 nan 0.000 0.445 392 N N 0.479 119.060 118.700 -0.198 0.000 2.205 392 N HA -0.270 4.470 4.740 -0.000 0.000 0.186 392 N C 1.781 177.252 175.510 -0.065 0.000 1.015 392 N CA 1.275 54.261 53.050 -0.106 0.000 0.862 392 N CB 0.064 38.534 38.487 -0.027 0.000 0.986 392 N HN 0.336 nan 8.380 nan 0.000 0.429 393 E N -0.665 119.476 120.200 -0.098 0.000 2.110 393 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 393 E C 1.597 178.134 176.600 -0.104 0.000 0.988 393 E CA 1.069 57.423 56.400 -0.076 0.000 0.804 393 E CB 0.114 29.776 29.700 -0.063 0.000 0.745 393 E HN 0.202 nan 8.360 nan 0.000 0.458 394 V N 0.551 120.340 119.914 -0.208 0.000 2.307 394 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 394 V C 2.130 178.132 176.094 -0.154 0.000 1.045 394 V CA 1.989 64.151 62.300 -0.229 0.000 1.024 394 V CB -0.857 30.674 31.823 -0.485 0.000 0.651 394 V HN 0.425 nan 8.190 nan 0.000 0.449 395 Y N 1.585 121.596 120.300 -0.481 0.000 2.097 395 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 395 Y C 2.517 178.397 175.900 -0.033 0.000 1.152 395 Y CA 2.195 60.113 58.100 -0.304 0.000 1.136 395 Y CB -0.412 37.743 38.460 -0.508 0.000 0.975 395 Y HN 0.349 nan 8.280 nan 0.000 0.498 396 E N -0.754 119.301 120.200 -0.243 0.000 2.110 396 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 396 E C 2.097 178.633 176.600 -0.107 0.000 0.988 396 E CA 1.725 57.972 56.400 -0.255 0.000 0.804 396 E CB -0.231 29.406 29.700 -0.105 0.000 0.745 396 E HN 0.500 nan 8.360 nan 0.000 0.458 397 T N 1.645 116.177 114.554 -0.036 0.000 2.746 397 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 397 T C 1.807 176.545 174.700 0.063 0.000 1.039 397 T CA 0.733 62.846 62.100 0.021 0.000 1.142 397 T CB -0.202 68.694 68.868 0.046 0.000 0.866 397 T HN 0.022 nan 8.240 nan 0.000 0.444 398 L N 1.977 123.270 121.223 0.116 0.000 2.191 398 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 398 L C 2.523 179.475 176.870 0.137 0.000 1.103 398 L CA 1.686 56.632 54.840 0.176 0.000 0.769 398 L CB -0.833 41.424 42.059 0.329 0.000 0.908 398 L HN 0.330 nan 8.230 nan 0.000 0.438 399 S N -1.412 114.351 115.700 0.105 0.000 2.474 399 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 399 S C 1.683 176.361 174.600 0.131 0.000 0.997 399 S CA 0.851 59.109 58.200 0.097 0.000 0.949 399 S CB -0.734 62.435 63.200 -0.051 0.000 0.766 399 S HN 0.510 nan 8.310 nan 0.000 0.517 400 L N 1.067 122.297 121.223 0.013 0.000 2.612 400 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 400 L C 1.375 178.040 176.870 -0.340 0.000 1.140 400 L CA 0.049 54.748 54.840 -0.236 0.000 0.896 400 L CB -0.437 41.498 42.059 -0.207 0.000 1.065 400 L HN 0.134 nan 8.230 nan 0.000 0.447 401 D N 0.347 120.733 120.400 -0.023 0.000 2.265 401 D HA -0.227 4.413 4.640 -0.000 0.000 0.208 401 D C 1.918 178.256 176.300 0.062 0.000 0.977 401 D CA 1.210 55.282 54.000 0.120 0.000 0.871 401 D CB -0.046 40.826 40.800 0.120 0.000 0.925 401 D HN 0.575 nan 8.370 nan 0.000 0.485 402 Y N -0.549 119.794 120.300 0.071 0.000 2.483 402 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 402 Y C 1.774 177.679 175.900 0.009 0.000 1.143 402 Y CA 0.483 58.606 58.100 0.039 0.000 1.289 402 Y CB -0.826 37.642 38.460 0.015 0.000 0.983 402 Y HN -0.044 nan 8.280 nan 0.000 0.556 403 L N -0.826 120.029 121.223 -0.613 0.000 2.291 403 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 403 L C 0.020 176.706 176.870 -0.307 0.000 1.120 403 L CA 0.408 54.966 54.840 -0.470 0.000 0.799 403 L CB -0.383 41.275 42.059 -0.670 0.000 0.925 403 L HN 0.189 nan 8.230 nan 0.000 0.446 404 Y N -0.522 119.728 120.300 -0.083 0.000 2.320 404 Y HA 0.208 4.757 4.550 -0.000 0.000 0.334 404 Y C -1.351 174.546 175.900 -0.004 0.000 1.055 404 Y CA -2.467 55.617 58.100 -0.026 0.000 1.143 404 Y CB 0.342 38.787 38.460 -0.024 0.000 1.193 404 Y HN -0.177 nan 8.280 nan 0.000 0.477 405 P HA -0.145 nan 4.420 nan 0.000 0.216 405 P C -0.563 176.785 177.300 0.080 0.000 1.150 405 P CA 1.564 64.722 63.100 0.097 0.000 0.837 405 P CB 0.386 32.125 31.700 0.064 0.000 0.786 406 E N -1.750 118.499 120.200 0.081 0.000 3.352 406 E HA 0.115 4.465 4.350 -0.000 0.000 0.254 406 E C -2.000 174.578 176.600 -0.038 0.000 1.229 406 E CA -1.390 55.019 56.400 0.015 0.000 0.949 406 E CB 0.993 30.686 29.700 -0.011 0.000 1.373 406 E HN 0.201 nan 8.360 nan 0.000 0.392 407 P HA -0.261 nan 4.420 nan 0.000 0.218 407 P C 1.437 178.636 177.300 -0.169 0.000 1.149 407 P CA 1.171 64.161 63.100 -0.184 0.000 0.817 407 P CB 0.265 31.928 31.700 -0.061 0.000 0.785 408 Q N -0.095 119.647 119.800 -0.097 0.000 2.364 408 Q HA -0.143 4.197 4.340 -0.000 0.000 0.209 408 Q C 1.151 177.101 176.000 -0.084 0.000 0.977 408 Q CA 1.467 57.218 55.803 -0.087 0.000 0.885 408 Q CB -1.334 27.365 28.738 -0.064 0.000 0.941 408 Q HN 0.200 nan 8.270 nan 0.000 0.464 409 N N -0.083 118.562 118.700 -0.092 0.000 2.280 409 N HA 0.209 4.949 4.740 -0.000 0.000 0.192 409 N C -0.163 175.303 175.510 -0.075 0.000 1.109 409 N CA -0.080 52.923 53.050 -0.078 0.000 0.855 409 N CB 0.264 38.702 38.487 -0.081 0.000 0.974 409 N HN 0.156 nan 8.380 nan 0.000 0.482 410 L N 0.420 121.565 121.223 -0.131 0.000 2.436 410 L HA 0.240 4.580 4.340 -0.000 0.000 0.265 410 L C 0.019 176.852 176.870 -0.061 0.000 1.168 410 L CA -0.643 54.112 54.840 -0.140 0.000 0.815 410 L CB 1.070 42.948 42.059 -0.302 0.000 1.109 410 L HN -0.213 nan 8.230 nan 0.000 0.462 411 V N 3.614 123.518 119.914 -0.017 0.000 2.364 411 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 411 V C 0.007 176.138 176.094 0.062 0.000 1.036 411 V CA -0.381 61.941 62.300 0.037 0.000 0.880 411 V CB 1.360 33.199 31.823 0.028 0.000 0.991 411 V HN 0.364 nan 8.190 nan 0.000 0.460 412 L N 7.555 128.791 121.223 0.021 0.000 2.322 412 L HA 0.776 5.116 4.340 -0.000 0.000 0.279 412 L C -0.632 176.261 176.870 0.039 0.000 1.036 412 L CA 0.023 54.819 54.840 -0.073 0.000 0.807 412 L CB 1.164 43.127 42.059 -0.160 0.000 1.226 412 L HN 0.575 nan 8.230 nan 0.000 0.433 413 F N 1.236 121.149 119.950 -0.062 0.000 2.588 413 F HA 0.727 5.254 4.527 -0.000 0.000 0.314 413 F C 0.850 176.650 175.800 -0.000 0.000 1.069 413 F CA -0.588 57.396 58.000 -0.027 0.000 0.931 413 F CB 1.234 40.175 39.000 -0.097 0.000 1.260 413 F HN 0.444 nan 8.300 nan 0.000 0.465 414 G N -0.043 108.857 108.800 0.166 0.000 2.464 414 G HA2 0.429 4.389 3.960 -0.000 0.000 0.217 414 G HA3 0.429 4.389 3.960 -0.000 0.000 0.217 414 G C 0.349 175.301 174.900 0.087 0.000 1.138 414 G CA 0.418 45.558 45.100 0.067 0.000 0.793 414 G HN 1.313 nan 8.290 nan 0.000 0.539 415 G N -0.725 108.197 108.800 0.204 0.000 2.340 415 G HA2 0.475 4.435 3.960 -0.000 0.000 0.299 415 G HA3 0.475 4.435 3.960 -0.000 0.000 0.299 415 G C -1.612 173.261 174.900 -0.046 0.000 1.291 415 G CA -0.051 45.150 45.100 0.167 0.000 0.841 415 G HN 0.857 nan 8.290 nan 0.000 0.500 416 N N -3.297 115.154 118.700 -0.415 0.000 3.387 416 N HA 0.250 4.990 4.740 -0.000 0.000 0.294 416 N C 0.540 175.368 175.510 -1.137 0.000 1.519 416 N CA 0.002 52.524 53.050 -0.881 0.000 0.875 416 N CB 0.126 38.284 38.487 -0.547 0.000 1.657 416 N HN 0.726 nan 8.380 nan 0.000 0.527 417 H N -1.887 116.575 119.070 -1.013 0.000 2.556 417 H HA 0.246 4.802 4.556 -0.000 0.000 0.268 417 H C -0.723 174.597 175.328 -0.014 0.000 0.996 417 H CA 0.661 56.433 56.048 -0.460 0.000 1.157 417 H CB -0.180 29.483 29.762 -0.165 0.000 1.355 417 H HN 0.526 nan 8.280 nan 0.000 0.597 418 D N 0.626 120.726 120.400 -0.499 0.000 2.433 418 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 418 D C 1.027 177.300 176.300 -0.045 0.000 1.114 418 D CA 0.128 54.047 54.000 -0.134 0.000 0.837 418 D CB 0.880 41.626 40.800 -0.090 0.000 0.984 418 D HN 0.554 nan 8.370 nan 0.000 0.505 419 M N -1.573 117.730 119.600 -0.495 0.000 2.667 419 M HA 0.732 5.212 4.480 -0.000 0.000 0.286 419 M C -0.843 174.801 176.300 -1.093 0.000 1.270 419 M CA -1.206 53.742 55.300 -0.586 0.000 0.826 419 M CB 2.069 34.616 32.600 -0.088 0.000 1.743 419 M HN -0.254 nan 8.290 nan 0.000 0.460 420 A N 1.727 124.160 122.820 -0.646 0.000 2.561 420 A HA 0.255 4.575 4.320 -0.000 0.000 0.234 420 A C 0.191 177.711 177.584 -0.106 0.000 1.055 420 A CA -0.104 51.755 52.037 -0.297 0.000 0.756 420 A CB 0.054 19.050 19.000 -0.007 0.000 0.986 420 A HN 0.759 nan 8.150 nan 0.000 0.505 421 R N 2.131 122.682 120.500 0.086 0.000 2.583 421 R HA -0.056 4.284 4.340 -0.000 0.000 0.274 421 R C 1.463 177.882 176.300 0.199 0.000 0.998 421 R CA 0.356 56.569 56.100 0.188 0.000 1.081 421 R CB -0.074 30.378 30.300 0.254 0.000 0.940 421 R HN 1.002 nan 8.270 nan 0.000 0.413 422 M N 2.764 122.508 119.600 0.240 0.000 2.089 422 M HA -0.269 4.211 4.480 -0.000 0.000 0.257 422 M C 1.536 178.107 176.300 0.451 0.000 1.071 422 M CA 2.027 57.510 55.300 0.305 0.000 1.096 422 M CB -0.172 32.627 32.600 0.331 0.000 1.330 422 M HN 0.573 nan 8.290 nan 0.000 0.403 423 F N 0.440 120.562 119.950 0.286 0.000 2.186 423 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 423 F C 2.316 178.205 175.800 0.148 0.000 1.090 423 F CA 1.814 59.928 58.000 0.191 0.000 1.307 423 F CB -0.621 38.358 39.000 -0.035 0.000 1.019 423 F HN 0.151 nan 8.300 nan 0.000 0.489 424 S N 0.294 116.061 115.700 0.112 0.000 2.368 424 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 424 S C 2.322 176.924 174.600 0.003 0.000 1.029 424 S CA 0.968 59.166 58.200 -0.004 0.000 0.988 424 S CB -0.816 62.441 63.200 0.094 0.000 0.838 424 S HN 0.480 nan 8.310 nan 0.000 0.462 425 A N 1.125 123.987 122.820 0.071 0.000 2.019 425 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 425 A C 1.978 179.589 177.584 0.046 0.000 1.164 425 A CA 1.474 53.548 52.037 0.062 0.000 0.644 425 A CB -0.596 18.453 19.000 0.081 0.000 0.805 425 A HN 0.498 nan 8.150 nan 0.000 0.449 426 A N -1.530 121.325 122.820 0.059 0.000 2.337 426 A HA 0.445 4.765 4.320 -0.000 0.000 0.227 426 A C 1.574 179.123 177.584 -0.057 0.000 1.259 426 A CA 0.927 52.995 52.037 0.051 0.000 0.870 426 A CB -1.097 18.023 19.000 0.199 0.000 0.927 426 A HN 1.834 nan 8.150 nan 0.000 0.497 427 G N -0.329 108.401 108.800 -0.116 0.000 2.176 427 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 427 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 427 G C 0.094 174.824 174.900 -0.284 0.000 1.024 427 G CA 0.417 45.433 45.100 -0.141 0.000 0.755 427 G HN 0.805 nan 8.290 nan 0.000 0.507 428 E N -1.006 118.803 120.200 -0.652 0.000 2.722 428 E HA -0.229 4.121 4.350 -0.000 0.000 0.265 428 E C 0.011 176.271 176.600 -0.566 0.000 1.081 428 E CA 1.082 56.718 56.400 -1.274 0.000 0.781 428 E CB -0.617 28.715 29.700 -0.612 0.000 1.372 428 E HN 0.625 nan 8.360 nan 0.000 0.423 429 D N -0.360 119.896 120.400 -0.240 0.000 2.412 429 D HA 0.099 4.739 4.640 -0.000 0.000 0.224 429 D C 0.309 176.828 176.300 0.365 0.000 1.093 429 D CA -0.382 53.679 54.000 0.102 0.000 0.850 429 D CB 0.355 41.196 40.800 0.069 0.000 1.046 429 D HN 0.002 nan 8.370 nan 0.000 0.507 430 F N 3.700 123.874 119.950 0.374 0.000 2.171 430 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 430 F C 1.594 177.636 175.800 0.403 0.000 1.090 430 F CA 1.356 59.623 58.000 0.445 0.000 1.293 430 F CB 0.349 39.495 39.000 0.242 0.000 1.013 430 F HN 0.343 nan 8.300 nan 0.000 0.486 431 D N 0.013 120.613 120.400 0.333 0.000 2.117 431 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 431 D C 2.381 178.756 176.300 0.125 0.000 0.987 431 D CA 1.219 55.334 54.000 0.191 0.000 0.829 431 D CB -0.326 40.583 40.800 0.183 0.000 0.961 431 D HN 0.358 nan 8.370 nan 0.000 0.460 432 R N -0.430 120.163 120.500 0.155 0.000 2.090 432 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 432 R C 2.187 178.574 176.300 0.146 0.000 1.110 432 R CA 0.736 56.908 56.100 0.119 0.000 0.973 432 R CB -0.344 30.015 30.300 0.098 0.000 0.869 432 R HN 0.263 nan 8.270 nan 0.000 0.440 433 W N 2.189 123.502 121.300 0.021 0.000 2.338 433 W HA -0.196 4.464 4.660 -0.000 0.000 0.304 433 W C 1.886 178.374 176.519 -0.053 0.000 1.212 433 W CA 1.420 58.788 57.345 0.038 0.000 1.264 433 W CB -0.027 29.533 29.460 0.167 0.000 1.142 433 W HN -0.107 nan 8.180 nan 0.000 0.512 434 R N -0.413 120.063 120.500 -0.039 0.000 2.091 434 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 434 R C 2.307 178.501 176.300 -0.176 0.000 1.136 434 R CA 2.363 58.329 56.100 -0.223 0.000 0.959 434 R CB -0.756 29.468 30.300 -0.126 0.000 0.856 434 R HN 0.317 nan 8.270 nan 0.000 0.437 435 M N -0.079 119.481 119.600 -0.066 0.000 2.108 435 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 435 M C 2.092 178.399 176.300 0.011 0.000 1.066 435 M CA 1.692 56.991 55.300 -0.002 0.000 1.107 435 M CB -0.566 32.053 32.600 0.032 0.000 1.356 435 M HN 0.280 nan 8.290 nan 0.000 0.406 436 N N 0.534 119.192 118.700 -0.071 0.000 2.104 436 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 436 N C 1.708 177.205 175.510 -0.023 0.000 1.024 436 N CA 0.928 53.954 53.050 -0.039 0.000 0.853 436 N CB 0.076 38.494 38.487 -0.115 0.000 1.008 436 N HN 0.131 nan 8.380 nan 0.000 0.424 437 L N 0.656 121.706 121.223 -0.289 0.000 2.056 437 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 437 L C 2.062 178.918 176.870 -0.024 0.000 1.078 437 L CA 1.199 55.892 54.840 -0.246 0.000 0.749 437 L CB -0.541 41.159 42.059 -0.599 0.000 0.901 437 L HN 0.017 nan 8.230 nan 0.000 0.433 438 V N -0.448 119.462 119.914 -0.007 0.000 2.287 438 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 438 V C 2.338 178.559 176.094 0.212 0.000 1.053 438 V CA 2.160 64.509 62.300 0.082 0.000 1.027 438 V CB -0.880 30.967 31.823 0.040 0.000 0.646 438 V HN 0.554 nan 8.190 nan 0.000 0.447 439 F N 0.586 120.598 119.950 0.104 0.000 2.095 439 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 439 F C 2.099 177.971 175.800 0.121 0.000 1.104 439 F CA 2.095 60.203 58.000 0.180 0.000 1.232 439 F CB -0.481 38.626 39.000 0.178 0.000 0.987 439 F HN 0.142 nan 8.300 nan 0.000 0.475 440 L N 0.216 121.494 121.223 0.092 0.000 2.042 440 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 440 L C 1.956 178.820 176.870 -0.010 0.000 1.076 440 L CA 1.882 56.710 54.840 -0.020 0.000 0.749 440 L CB -0.701 41.436 42.059 0.129 0.000 0.893 440 L HN 0.203 nan 8.230 nan 0.000 0.432 441 M N -1.266 118.378 119.600 0.074 0.000 2.556 441 M HA 0.086 4.566 4.480 -0.000 0.000 0.245 441 M C 1.564 177.939 176.300 0.124 0.000 1.128 441 M CA 1.170 56.540 55.300 0.116 0.000 1.069 441 M CB -1.071 31.638 32.600 0.182 0.000 1.469 441 M HN 0.586 nan 8.290 nan 0.000 0.494 442 T N -4.267 110.343 114.554 0.094 0.000 2.975 442 T HA 0.267 4.617 4.350 -0.000 0.000 0.261 442 T C 0.892 175.606 174.700 0.025 0.000 0.984 442 T CA -0.254 61.923 62.100 0.128 0.000 0.911 442 T CB 0.593 69.623 68.868 0.269 0.000 1.127 442 T HN -0.049 nan 8.240 nan 0.000 0.514 443 M N 3.275 122.782 119.600 -0.155 0.000 2.245 443 M HA 0.260 4.740 4.480 -0.000 0.000 0.330 443 M C -2.269 173.933 176.300 -0.163 0.000 1.098 443 M CA -2.228 52.904 55.300 -0.279 0.000 1.172 443 M CB 0.019 32.297 32.600 -0.537 0.000 1.467 443 M HN -0.019 nan 8.290 nan 0.000 0.454 444 P HA 0.210 nan 4.420 nan 0.000 0.237 444 P C -0.631 176.601 177.300 -0.114 0.000 1.788 444 P CA 0.195 63.231 63.100 -0.107 0.000 1.061 444 P CB 0.162 31.801 31.700 -0.103 0.000 1.967 445 R N 1.339 121.777 120.500 -0.103 0.000 2.766 445 R HA 0.536 4.876 4.340 -0.000 0.000 0.270 445 R C -0.169 176.104 176.300 -0.046 0.000 1.035 445 R CA -1.144 54.899 56.100 -0.096 0.000 0.911 445 R CB 1.136 31.356 30.300 -0.134 0.000 1.243 445 R HN 0.201 nan 8.270 nan 0.000 0.460 446 I N 4.126 124.688 120.570 -0.014 0.000 2.297 446 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 446 I C -1.933 174.219 176.117 0.057 0.000 1.033 446 I CA -1.850 59.474 61.300 0.039 0.000 1.253 446 I CB 1.506 39.573 38.000 0.111 0.000 1.396 446 I HN 0.054 nan 8.210 nan 0.000 0.476 447 P HA 0.112 nan 4.420 nan 0.000 0.279 447 P C -1.233 176.201 177.300 0.223 0.000 1.239 447 P CA -0.376 62.805 63.100 0.135 0.000 0.789 447 P CB 1.555 33.342 31.700 0.144 0.000 0.933 448 Q N 2.940 122.904 119.800 0.272 0.000 2.372 448 Q HA 0.482 4.822 4.340 -0.000 0.000 0.273 448 Q C -2.235 174.001 176.000 0.394 0.000 1.078 448 Q CA -0.732 55.258 55.803 0.312 0.000 0.806 448 Q CB 1.982 30.869 28.738 0.248 0.000 1.332 448 Q HN 0.433 nan 8.270 nan 0.000 0.435 449 F N 3.017 123.058 119.950 0.153 0.000 2.576 449 F HA 0.466 4.993 4.527 -0.000 0.000 0.313 449 F C -1.808 173.947 175.800 -0.075 0.000 1.078 449 F CA -0.781 57.291 58.000 0.120 0.000 0.921 449 F CB 1.519 40.644 39.000 0.207 0.000 1.232 449 F HN 0.571 nan 8.300 nan 0.000 0.459 450 Y N 4.265 124.211 120.300 -0.590 0.000 2.335 450 Y HA 0.391 4.941 4.550 -0.000 0.000 0.339 450 Y C 0.081 175.716 175.900 -0.440 0.000 0.987 450 Y CA -1.101 56.706 58.100 -0.488 0.000 1.140 450 Y CB 1.110 39.375 38.460 -0.325 0.000 1.173 450 Y HN 0.584 nan 8.280 nan 0.000 0.486 451 S N 4.321 119.489 115.700 -0.887 0.000 2.593 451 S HA 0.325 4.795 4.470 -0.000 0.000 0.300 451 S C 1.202 175.642 174.600 -0.267 0.000 1.267 451 S CA 1.519 59.335 58.200 -0.639 0.000 1.065 451 S CB -0.583 62.194 63.200 -0.704 0.000 0.807 451 S HN 1.619 nan 8.310 nan 0.000 0.499 452 G N 4.795 113.789 108.800 0.323 0.000 2.279 452 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.223 452 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.223 452 G C 0.564 175.579 174.900 0.193 0.000 1.015 452 G CA 0.450 45.708 45.100 0.263 0.000 0.621 452 G HN 0.669 nan 8.290 nan 0.000 0.506 453 D N 1.474 121.967 120.400 0.155 0.000 2.263 453 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 453 D C 2.443 179.099 176.300 0.593 0.000 0.971 453 D CA 1.327 55.460 54.000 0.223 0.000 0.867 453 D CB -0.119 40.566 40.800 -0.191 0.000 0.929 453 D HN 0.768 nan 8.370 nan 0.000 0.492 454 E N 1.103 121.796 120.200 0.822 0.000 2.418 454 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 454 E C 1.511 178.315 176.600 0.340 0.000 1.026 454 E CA 0.572 57.399 56.400 0.713 0.000 0.862 454 E CB -0.181 29.891 29.700 0.620 0.000 0.799 454 E HN 0.373 nan 8.360 nan 0.000 0.518 455 I N -1.297 119.386 120.570 0.189 0.000 3.762 455 I HA 0.268 4.438 4.170 -0.000 0.000 0.333 455 I C 0.287 176.299 176.117 -0.174 0.000 1.566 455 I CA -0.758 60.522 61.300 -0.034 0.000 1.129 455 I CB -0.548 37.398 38.000 -0.091 0.000 1.218 455 I HN -0.068 nan 8.210 nan 0.000 0.456 456 L N -0.101 120.997 121.223 -0.207 0.000 3.717 456 L HA -0.209 4.131 4.340 -0.000 0.000 0.411 456 L C 0.416 177.215 176.870 -0.118 0.000 1.233 456 L CA 0.466 55.053 54.840 -0.423 0.000 0.917 456 L CB -1.853 39.524 42.059 -1.137 0.000 1.902 456 L HN 0.449 nan 8.230 nan 0.000 0.894 457 M N 0.404 120.003 119.600 -0.002 0.000 2.250 457 M HA 0.154 4.634 4.480 -0.000 0.000 0.337 457 M C 1.131 177.530 176.300 0.166 0.000 1.161 457 M CA 1.322 56.656 55.300 0.056 0.000 1.088 457 M CB 0.536 33.159 32.600 0.039 0.000 1.639 457 M HN 0.384 nan 8.290 nan 0.000 0.447 458 T N -0.444 114.209 114.554 0.165 0.000 2.950 458 T HA 0.838 5.188 4.350 -0.000 0.000 0.288 458 T C -0.265 174.547 174.700 0.186 0.000 1.035 458 T CA -0.734 61.487 62.100 0.201 0.000 1.028 458 T CB 1.831 70.808 68.868 0.181 0.000 1.109 458 T HN 0.806 nan 8.240 nan 0.000 0.514 459 S N -0.304 115.516 115.700 0.199 0.000 2.688 459 S HA 0.675 5.145 4.470 -0.000 0.000 0.275 459 S C -0.068 174.645 174.600 0.189 0.000 1.175 459 S CA -0.536 57.800 58.200 0.227 0.000 0.818 459 S CB 0.698 64.145 63.200 0.412 0.000 1.157 459 S HN 1.348 nan 8.310 nan 0.000 0.482 460 T N -0.708 113.956 114.554 0.183 0.000 2.855 460 T HA 0.391 4.741 4.350 -0.000 0.000 0.314 460 T C 1.407 176.235 174.700 0.215 0.000 1.077 460 T CA 0.092 62.287 62.100 0.158 0.000 1.095 460 T CB 0.439 69.374 68.868 0.113 0.000 0.987 460 T HN 1.631 nan 8.240 nan 0.000 0.546 461 V N -1.924 118.077 119.914 0.146 0.000 3.212 461 V HA 0.375 4.495 4.120 -0.000 0.000 0.244 461 V C 0.923 177.091 176.094 0.124 0.000 1.151 461 V CA -0.036 62.343 62.300 0.132 0.000 1.119 461 V CB -0.574 31.298 31.823 0.082 0.000 0.838 461 V HN 0.710 nan 8.190 nan 0.000 0.470 462 K N 1.867 122.328 120.400 0.101 0.000 2.270 462 K HA 0.463 4.783 4.320 -0.000 0.000 0.276 462 K C 0.997 177.656 176.600 0.098 0.000 1.023 462 K CA 1.041 57.376 56.287 0.081 0.000 0.955 462 K CB 0.855 33.389 32.500 0.056 0.000 0.975 462 K HN 0.663 nan 8.250 nan 0.000 0.471 463 G N 2.574 111.423 108.800 0.081 0.000 2.564 463 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.273 463 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.273 463 G C -0.490 174.481 174.900 0.118 0.000 1.242 463 G CA 0.080 45.221 45.100 0.068 0.000 0.951 463 G HN 0.665 nan 8.290 nan 0.000 0.564 464 R N 0.425 120.979 120.500 0.089 0.000 2.476 464 R HA 0.553 4.893 4.340 -0.000 0.000 0.305 464 R C -1.719 174.602 176.300 0.034 0.000 0.965 464 R CA -0.274 55.905 56.100 0.131 0.000 0.867 464 R CB 1.452 31.790 30.300 0.063 0.000 1.176 464 R HN 0.552 nan 8.270 nan 0.000 0.447 465 D N 3.412 123.761 120.400 -0.086 0.000 2.517 465 D HA 0.125 4.765 4.640 -0.000 0.000 0.263 465 D C -0.300 175.548 176.300 -0.753 0.000 1.233 465 D CA -0.335 53.485 54.000 -0.299 0.000 0.849 465 D CB 0.929 41.614 40.800 -0.191 0.000 1.261 465 D HN 0.526 nan 8.370 nan 0.000 0.516 466 D N 1.205 121.361 120.400 -0.406 0.000 2.123 466 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 466 D C 1.959 178.124 176.300 -0.225 0.000 0.992 466 D CA 1.400 55.220 54.000 -0.300 0.000 0.833 466 D CB 0.035 40.846 40.800 0.017 0.000 0.954 466 D HN 0.518 nan 8.370 nan 0.000 0.455 467 A N 0.872 123.623 122.820 -0.116 0.000 1.978 467 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 467 A C 2.295 179.840 177.584 -0.065 0.000 1.170 467 A CA 2.346 54.365 52.037 -0.031 0.000 0.636 467 A CB -0.650 18.349 19.000 -0.000 0.000 0.810 467 A HN 0.338 nan 8.150 nan 0.000 0.448 468 S N -1.293 114.281 115.700 -0.210 0.000 2.447 468 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 468 S C 1.481 176.138 174.600 0.096 0.000 1.006 468 S CA 1.130 59.276 58.200 -0.090 0.000 0.957 468 S CB -0.664 62.479 63.200 -0.095 0.000 0.773 468 S HN 0.574 nan 8.310 nan 0.000 0.507 469 Y N 1.425 121.825 120.300 0.167 0.000 2.490 469 Y HA 0.440 4.990 4.550 -0.000 0.000 0.281 469 Y C 1.593 177.682 175.900 0.314 0.000 1.174 469 Y CA -0.638 57.600 58.100 0.230 0.000 1.295 469 Y CB -0.352 38.224 38.460 0.193 0.000 1.062 469 Y HN 0.293 nan 8.280 nan 0.000 0.522 470 R N -0.012 120.690 120.500 0.337 0.000 2.642 470 R HA 0.208 4.548 4.340 -0.000 0.000 0.435 470 R C -0.100 176.307 176.300 0.178 0.000 1.046 470 R CA -0.452 55.840 56.100 0.320 0.000 1.103 470 R CB 0.701 31.212 30.300 0.352 0.000 1.425 470 R HN -0.104 nan 8.270 nan 0.000 0.586 471 R N 1.395 121.983 120.500 0.147 0.000 2.694 471 R HA 0.048 4.388 4.340 -0.000 0.000 0.268 471 R C -0.128 176.225 176.300 0.088 0.000 1.061 471 R CA -0.041 56.109 56.100 0.084 0.000 1.133 471 R CB 0.278 30.608 30.300 0.050 0.000 1.020 471 R HN 0.051 nan 8.270 nan 0.000 0.475 472 D N 1.332 121.743 120.400 0.019 0.000 2.472 472 D HA -0.072 4.568 4.640 -0.000 0.000 0.237 472 D C -0.009 176.367 176.300 0.126 0.000 1.141 472 D CA 0.204 54.210 54.000 0.010 0.000 0.875 472 D CB 0.193 40.698 40.800 -0.490 0.000 1.192 472 D HN 0.240 nan 8.370 nan 0.000 0.450 473 F N 3.736 123.794 119.950 0.179 0.000 2.543 473 F HA 0.158 4.685 4.527 0.000 0.000 0.375 473 F C -1.747 174.033 175.800 -0.032 0.000 1.075 473 F CA -1.875 56.160 58.000 0.057 0.000 1.225 473 F CB 0.540 39.583 39.000 0.072 0.000 1.099 473 F HN 0.112 nan 8.300 nan 0.000 0.561 474 P HA 0.196 nan 4.420 nan 0.000 0.270 474 P C 0.369 177.418 177.300 -0.419 0.000 1.242 474 P CA 0.771 63.619 63.100 -0.419 0.000 0.768 474 P CB 0.737 32.166 31.700 -0.451 0.000 0.820 475 G N 3.004 111.755 108.800 -0.081 0.000 2.211 475 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.201 475 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.201 475 G C 1.009 176.062 174.900 0.255 0.000 0.997 475 G CA -0.022 45.101 45.100 0.038 0.000 0.652 475 G HN 0.671 nan 8.290 nan 0.000 0.500 476 G N -1.026 107.989 108.800 0.357 0.000 2.813 476 G HA2 0.284 4.244 3.960 -0.000 0.000 0.209 476 G HA3 0.284 4.244 3.960 -0.000 0.000 0.209 476 G C 0.508 175.436 174.900 0.047 0.000 1.150 476 G CA 0.346 45.607 45.100 0.269 0.000 0.785 476 G HN 0.385 nan 8.290 nan 0.000 0.535 477 W N -0.182 121.157 121.300 0.066 0.000 2.785 477 W HA 0.629 5.289 4.660 -0.000 0.000 0.333 477 W C -0.089 176.453 176.519 0.038 0.000 1.062 477 W CA -1.799 55.576 57.345 0.050 0.000 1.233 477 W CB 1.749 31.228 29.460 0.032 0.000 1.413 477 W HN 0.069 nan 8.180 nan 0.000 0.489 478 A N 1.282 124.210 122.820 0.180 0.000 2.565 478 A HA 0.399 4.719 4.320 -0.000 0.000 0.237 478 A C 1.153 178.818 177.584 0.135 0.000 1.053 478 A CA 1.694 53.804 52.037 0.122 0.000 0.755 478 A CB -0.332 18.714 19.000 0.076 0.000 0.980 478 A HN 1.542 nan 8.150 nan 0.000 0.506 479 G N 1.936 110.790 108.800 0.091 0.000 2.176 479 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 479 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 479 G C -0.031 174.903 174.900 0.056 0.000 0.979 479 G CA 0.301 45.440 45.100 0.066 0.000 0.641 479 G HN 0.877 nan 8.290 nan 0.000 0.530 480 D N 0.684 121.132 120.400 0.080 0.000 2.488 480 D HA 0.294 4.934 4.640 -0.000 0.000 0.238 480 D C 1.602 177.907 176.300 0.010 0.000 1.138 480 D CA -0.078 53.949 54.000 0.044 0.000 0.873 480 D CB 0.822 41.661 40.800 0.065 0.000 1.183 480 D HN 0.076 nan 8.370 nan 0.000 0.458 481 K N 0.990 121.380 120.400 -0.016 0.000 2.155 481 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 481 K C 0.552 177.131 176.600 -0.035 0.000 1.052 481 K CA 0.469 56.742 56.287 -0.023 0.000 0.948 481 K CB 0.074 32.556 32.500 -0.031 0.000 0.728 481 K HN 0.414 nan 8.250 nan 0.000 0.448 482 A N 1.709 124.494 122.820 -0.059 0.000 2.337 482 A HA 0.500 4.820 4.320 -0.000 0.000 0.329 482 A C -0.736 176.786 177.584 -0.104 0.000 1.146 482 A CA -0.625 51.361 52.037 -0.085 0.000 0.800 482 A CB 0.839 19.768 19.000 -0.118 0.000 1.220 482 A HN 0.124 nan 8.150 nan 0.000 0.472 483 N N 1.339 119.979 118.700 -0.101 0.000 2.576 483 N HA 0.413 5.153 4.740 -0.000 0.000 0.269 483 N C 0.435 175.848 175.510 -0.161 0.000 1.058 483 N CA 0.179 53.166 53.050 -0.105 0.000 0.860 483 N CB 1.688 40.181 38.487 0.011 0.000 1.249 483 N HN 0.595 nan 8.380 nan 0.000 0.525 484 A N 3.185 125.781 122.820 -0.374 0.000 2.067 484 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 484 A C 1.382 178.831 177.584 -0.224 0.000 1.158 484 A CA 0.836 52.665 52.037 -0.346 0.000 0.661 484 A CB -0.614 18.002 19.000 -0.640 0.000 0.801 484 A HN 0.663 nan 8.150 nan 0.000 0.452 485 F N 0.818 120.660 119.950 -0.180 0.000 2.186 485 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 485 F C 2.838 178.638 175.800 0.001 0.000 1.090 485 F CA 1.359 59.178 58.000 -0.301 0.000 1.307 485 F CB -0.036 38.776 39.000 -0.315 0.000 1.019 485 F HN 0.365 nan 8.300 nan 0.000 0.489 486 S N -1.114 114.700 115.700 0.190 0.000 2.503 486 S HA 0.375 4.845 4.470 -0.000 0.000 0.215 486 S C 1.754 176.419 174.600 0.108 0.000 1.003 486 S CA 0.452 58.741 58.200 0.149 0.000 0.910 486 S CB 0.536 63.804 63.200 0.114 0.000 0.790 486 S HN 0.544 nan 8.310 nan 0.000 0.514 487 G N 1.131 109.976 108.800 0.074 0.000 2.194 487 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.236 487 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.236 487 G C 0.304 175.210 174.900 0.010 0.000 0.987 487 G CA -0.106 45.021 45.100 0.046 0.000 0.635 487 G HN 1.341 nan 8.290 nan 0.000 0.520 488 A N 0.259 123.085 122.820 0.010 0.000 2.520 488 A HA 0.620 4.940 4.320 -0.000 0.000 0.245 488 A C 2.075 179.642 177.584 -0.029 0.000 1.072 488 A CA 1.899 53.935 52.037 -0.003 0.000 0.761 488 A CB -0.175 18.830 19.000 0.008 0.000 1.004 488 A HN 2.390 nan 8.150 nan 0.000 0.499 489 G N 1.317 110.098 108.800 -0.030 0.000 2.162 489 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 489 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 489 G C 0.154 175.016 174.900 -0.062 0.000 0.976 489 G CA 0.435 45.509 45.100 -0.044 0.000 0.655 489 G HN 0.786 nan 8.290 nan 0.000 0.533 490 L N 1.732 122.917 121.223 -0.063 0.000 2.397 490 L HA 0.429 4.769 4.340 -0.000 0.000 0.271 490 L C 1.711 178.536 176.870 -0.075 0.000 1.148 490 L CA 0.073 54.865 54.840 -0.079 0.000 0.825 490 L CB 0.673 42.690 42.059 -0.069 0.000 1.117 490 L HN 0.422 nan 8.230 nan 0.000 0.456 491 T N -1.642 112.857 114.554 -0.092 0.000 2.766 491 T HA 0.047 4.397 4.350 -0.000 0.000 0.295 491 T C 1.328 175.965 174.700 -0.106 0.000 1.024 491 T CA -0.219 61.825 62.100 -0.093 0.000 1.018 491 T CB 1.143 69.949 68.868 -0.103 0.000 1.002 491 T HN 0.749 nan 8.240 nan 0.000 0.532 492 S N 0.120 115.755 115.700 -0.107 0.000 2.370 492 S HA -0.269 4.201 4.470 -0.000 0.000 0.226 492 S C 2.049 176.535 174.600 -0.190 0.000 1.033 492 S CA 1.347 59.474 58.200 -0.122 0.000 1.011 492 S CB -0.867 62.266 63.200 -0.111 0.000 0.852 492 S HN 0.830 nan 8.310 nan 0.000 0.457 493 Q N 0.842 120.495 119.800 -0.246 0.000 2.119 493 Q HA -0.131 4.209 4.340 -0.000 0.000 0.201 493 Q C 2.453 178.241 176.000 -0.354 0.000 0.972 493 Q CA 1.324 56.881 55.803 -0.410 0.000 0.847 493 Q CB -0.193 28.306 28.738 -0.398 0.000 0.903 493 Q HN 0.745 nan 8.270 nan 0.000 0.433 494 Q N -0.222 119.427 119.800 -0.252 0.000 2.084 494 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 494 Q C 2.119 178.053 176.000 -0.110 0.000 0.978 494 Q CA 1.529 57.210 55.803 -0.203 0.000 0.844 494 Q CB -0.118 28.521 28.738 -0.166 0.000 0.898 494 Q HN 0.101 nan 8.270 nan 0.000 0.426 495 R N 0.845 121.292 120.500 -0.088 0.000 2.092 495 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 495 R C 1.881 178.183 176.300 0.003 0.000 1.119 495 R CA 1.505 57.590 56.100 -0.025 0.000 0.970 495 R CB -0.643 29.639 30.300 -0.029 0.000 0.864 495 R HN 0.231 nan 8.270 nan 0.000 0.440 496 A N 0.439 123.228 122.820 -0.050 0.000 1.902 496 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 496 A C 2.397 180.107 177.584 0.210 0.000 1.181 496 A CA 1.714 53.759 52.037 0.013 0.000 0.623 496 A CB -1.116 17.778 19.000 -0.176 0.000 0.818 496 A HN 0.475 nan 8.150 nan 0.000 0.443 497 A N -0.854 122.080 122.820 0.190 0.000 1.883 497 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 497 A C 2.222 180.004 177.584 0.330 0.000 1.186 497 A CA 1.931 54.144 52.037 0.293 0.000 0.624 497 A CB -0.664 18.241 19.000 -0.158 0.000 0.822 497 A HN 0.650 nan 8.150 nan 0.000 0.444 498 Q N -0.796 119.126 119.800 0.204 0.000 2.124 498 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 498 Q C 1.281 177.390 176.000 0.182 0.000 0.977 498 Q CA 1.661 57.596 55.803 0.221 0.000 0.850 498 Q CB -0.140 28.714 28.738 0.193 0.000 0.901 498 Q HN 0.611 nan 8.270 nan 0.000 0.429 499 D N 0.331 120.820 120.400 0.149 0.000 2.144 499 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 499 D C 1.774 178.142 176.300 0.113 0.000 0.984 499 D CA 0.662 54.726 54.000 0.108 0.000 0.834 499 D CB -0.086 40.761 40.800 0.078 0.000 0.955 499 D HN 0.210 nan 8.370 nan 0.000 0.465 500 L N 0.406 121.740 121.223 0.185 0.000 2.072 500 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 500 L C 2.198 179.146 176.870 0.130 0.000 1.079 500 L CA 1.113 56.052 54.840 0.165 0.000 0.752 500 L CB -0.411 41.818 42.059 0.283 0.000 0.906 500 L HN -0.138 nan 8.230 nan 0.000 0.436 501 V N 0.008 120.031 119.914 0.182 0.000 2.287 501 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 501 V C 2.767 178.848 176.094 -0.023 0.000 1.053 501 V CA 2.178 64.513 62.300 0.058 0.000 1.027 501 V CB -0.750 31.100 31.823 0.046 0.000 0.646 501 V HN 0.512 nan 8.190 nan 0.000 0.447 502 R N 0.234 120.743 120.500 0.015 0.000 2.081 502 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 502 R C 2.425 178.731 176.300 0.010 0.000 1.131 502 R CA 2.122 58.210 56.100 -0.021 0.000 0.960 502 R CB -0.274 30.032 30.300 0.010 0.000 0.856 502 R HN 0.507 nan 8.270 nan 0.000 0.436 503 K N 0.362 120.789 120.400 0.046 0.000 2.009 503 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 503 K C 2.115 178.836 176.600 0.201 0.000 1.049 503 K CA 1.682 58.024 56.287 0.091 0.000 0.929 503 K CB -0.142 32.352 32.500 -0.010 0.000 0.714 503 K HN 0.208 nan 8.250 nan 0.000 0.440 504 L N 0.204 121.515 121.223 0.146 0.000 2.056 504 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 504 L C 2.590 179.600 176.870 0.233 0.000 1.078 504 L CA 1.090 56.074 54.840 0.240 0.000 0.749 504 L CB -0.394 41.742 42.059 0.128 0.000 0.901 504 L HN 0.324 nan 8.230 nan 0.000 0.433 505 A N -0.070 122.748 122.820 -0.004 0.000 1.898 505 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 505 A C 2.059 179.576 177.584 -0.111 0.000 1.181 505 A CA 1.547 53.470 52.037 -0.189 0.000 0.620 505 A CB -0.519 18.093 19.000 -0.647 0.000 0.819 505 A HN 0.422 nan 8.150 nan 0.000 0.442 506 N N -1.360 117.317 118.700 -0.039 0.000 2.166 506 N HA -0.197 4.543 4.740 -0.000 0.000 0.186 506 N C 1.586 177.153 175.510 0.095 0.000 1.019 506 N CA 1.631 54.686 53.050 0.009 0.000 0.856 506 N CB -0.410 38.094 38.487 0.028 0.000 0.993 506 N HN 0.806 nan 8.380 nan 0.000 0.426 507 W N 2.792 124.066 121.300 -0.043 0.000 2.355 507 W HA -0.079 4.581 4.660 0.000 0.000 0.309 507 W C 2.492 178.923 176.519 -0.147 0.000 1.206 507 W CA 1.267 58.535 57.345 -0.129 0.000 1.284 507 W CB -0.312 29.018 29.460 -0.216 0.000 1.145 507 W HN -0.082 nan 8.180 nan 0.000 0.502 508 R N 0.896 121.376 120.500 -0.033 0.000 2.120 508 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 508 R C 2.133 178.352 176.300 -0.136 0.000 1.123 508 R CA 1.763 57.706 56.100 -0.262 0.000 0.975 508 R CB -0.351 29.935 30.300 -0.024 0.000 0.866 508 R HN 0.191 nan 8.270 nan 0.000 0.446 509 K N -0.105 120.251 120.400 -0.073 0.000 2.211 509 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 509 K C 0.913 177.513 176.600 0.000 0.000 1.047 509 K CA 1.763 58.041 56.287 -0.015 0.000 0.935 509 K CB -0.098 32.370 32.500 -0.053 0.000 0.728 509 K HN 0.331 nan 8.250 nan 0.000 0.452 510 N N 0.349 118.951 118.700 -0.162 0.000 2.251 510 N HA 0.003 4.743 4.740 -0.000 0.000 0.217 510 N C -0.741 174.530 175.510 -0.399 0.000 1.124 510 N CA -0.008 52.912 53.050 -0.216 0.000 0.843 510 N CB 0.657 39.038 38.487 -0.176 0.000 1.024 510 N HN -0.021 nan 8.380 nan 0.000 0.501 511 Q N 0.068 119.509 119.800 -0.598 0.000 2.700 511 Q HA 0.230 4.570 4.340 -0.000 0.000 0.249 511 Q C -2.042 173.345 176.000 -1.022 0.000 1.033 511 Q CA -1.781 53.550 55.803 -0.786 0.000 0.804 511 Q CB 1.406 29.537 28.738 -1.012 0.000 1.164 511 Q HN 0.130 nan 8.270 nan 0.000 0.500 512 P HA -0.178 nan 4.420 nan 0.000 0.218 512 P C 1.495 178.544 177.300 -0.418 0.000 1.146 512 P CA 0.729 63.499 63.100 -0.549 0.000 0.813 512 P CB 0.428 31.987 31.700 -0.235 0.000 0.778 513 V N -0.709 118.989 119.914 -0.361 0.000 2.594 513 V HA -0.199 3.921 4.120 -0.000 0.000 0.253 513 V C 1.959 177.916 176.094 -0.229 0.000 1.069 513 V CA 1.567 63.726 62.300 -0.236 0.000 1.082 513 V CB -0.805 30.924 31.823 -0.158 0.000 0.680 513 V HN 0.014 nan 8.190 nan 0.000 0.469 514 I N -0.678 119.689 120.570 -0.338 0.000 2.406 514 I HA -0.158 4.012 4.170 -0.000 0.000 0.249 514 I C 2.247 178.317 176.117 -0.078 0.000 1.122 514 I CA 1.463 62.639 61.300 -0.207 0.000 1.431 514 I CB -0.470 37.379 38.000 -0.252 0.000 1.087 514 I HN 0.442 nan 8.210 nan 0.000 0.424 515 H N 1.157 120.140 119.070 -0.144 0.000 2.357 515 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 515 H C 1.153 176.419 175.328 -0.103 0.000 1.082 515 H CA 1.472 57.451 56.048 -0.115 0.000 1.342 515 H CB 0.010 29.706 29.762 -0.111 0.000 1.389 515 H HN 0.470 nan 8.280 nan 0.000 0.511 516 N N -0.633 118.061 118.700 -0.010 0.000 2.081 516 N HA 0.094 4.834 4.740 -0.000 0.000 0.230 516 N C 0.459 175.908 175.510 -0.102 0.000 1.351 516 N CA 0.245 53.266 53.050 -0.048 0.000 0.840 516 N CB 0.160 38.629 38.487 -0.031 0.000 1.189 516 N HN 0.173 nan 8.380 nan 0.000 0.503 517 G N 0.416 109.135 108.800 -0.135 0.000 2.634 517 G HA2 0.313 4.273 3.960 -0.000 0.000 0.255 517 G HA3 0.313 4.273 3.960 -0.000 0.000 0.255 517 G C 0.155 174.898 174.900 -0.262 0.000 1.205 517 G CA -0.556 44.426 45.100 -0.197 0.000 0.884 517 G HN 0.057 nan 8.290 nan 0.000 0.549 518 R N -1.189 119.017 120.500 -0.491 0.000 2.707 518 R HA 0.302 4.642 4.340 -0.000 0.000 0.270 518 R C -0.576 175.506 176.300 -0.363 0.000 1.083 518 R CA -0.585 55.169 56.100 -0.577 0.000 1.182 518 R CB 0.796 30.404 30.300 -1.154 0.000 1.084 518 R HN 0.330 nan 8.270 nan 0.000 0.528 519 L N 1.242 122.388 121.223 -0.129 0.000 2.362 519 L HA 0.512 4.852 4.340 -0.000 0.000 0.275 519 L C -0.823 176.189 176.870 0.236 0.000 0.998 519 L CA -0.248 54.637 54.840 0.076 0.000 0.820 519 L CB 1.610 43.648 42.059 -0.036 0.000 1.270 519 L HN 0.614 nan 8.230 nan 0.000 0.415 520 M N 5.872 125.727 119.600 0.425 0.000 2.197 520 M HA 0.467 4.947 4.480 -0.000 0.000 0.301 520 M C -1.485 175.045 176.300 0.384 0.000 0.987 520 M CA -0.365 55.118 55.300 0.305 0.000 0.921 520 M CB 0.980 33.705 32.600 0.207 0.000 1.569 520 M HN 0.921 nan 8.290 nan 0.000 0.431 521 H N 1.939 121.148 119.070 0.232 0.000 2.710 521 H HA 0.691 5.247 4.556 -0.000 0.000 0.361 521 H C -1.820 173.628 175.328 0.200 0.000 1.175 521 H CA -1.054 55.215 56.048 0.369 0.000 1.206 521 H CB 1.535 31.614 29.762 0.529 0.000 1.750 521 H HN 0.543 nan 8.280 nan 0.000 0.553 522 F N 0.228 120.492 119.950 0.523 0.000 2.492 522 F HA 0.369 4.896 4.527 -0.000 0.000 0.327 522 F C 1.008 176.819 175.800 0.019 0.000 1.079 522 F CA -0.656 57.549 58.000 0.342 0.000 0.967 522 F CB 1.956 41.241 39.000 0.475 0.000 1.169 522 F HN 0.837 nan 8.300 nan 0.000 0.472 523 G N 2.885 111.517 108.800 -0.280 0.000 2.305 523 G HA2 0.332 4.292 3.960 -0.000 0.000 0.243 523 G HA3 0.332 4.292 3.960 -0.000 0.000 0.243 523 G C -2.735 171.982 174.900 -0.306 0.000 1.288 523 G CA -0.901 43.574 45.100 -1.042 0.000 0.901 523 G HN 0.250 nan 8.290 nan 0.000 0.516 524 P HA 0.164 nan 4.420 nan 0.000 0.269 524 P C -0.405 176.871 177.300 -0.041 0.000 1.209 524 P CA 0.164 63.222 63.100 -0.071 0.000 0.776 524 P CB 0.925 32.477 31.700 -0.247 0.000 0.876 525 E N 1.254 121.480 120.200 0.044 0.000 2.246 525 E HA 0.146 4.496 4.350 -0.000 0.000 0.266 525 E C -0.587 176.036 176.600 0.038 0.000 0.880 525 E CA -0.596 55.823 56.400 0.031 0.000 0.762 525 E CB 1.142 30.869 29.700 0.046 0.000 1.180 525 E HN 0.399 nan 8.360 nan 0.000 0.416 526 E N 2.395 122.607 120.200 0.020 0.000 2.328 526 E HA -0.307 4.043 4.350 -0.000 0.000 0.233 526 E C -0.333 176.284 176.600 0.027 0.000 1.219 526 E CA 0.150 56.563 56.400 0.021 0.000 0.717 526 E CB -1.013 28.702 29.700 0.025 0.000 1.210 526 E HN 0.628 nan 8.360 nan 0.000 0.381 527 N N -0.842 117.869 118.700 0.018 0.000 2.741 527 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 527 N C -0.620 174.929 175.510 0.066 0.000 1.115 527 N CA 1.877 54.941 53.050 0.023 0.000 0.724 527 N CB -1.063 37.432 38.487 0.014 0.000 1.090 527 N HN 0.631 nan 8.380 nan 0.000 0.558 528 T N -3.288 111.324 114.554 0.095 0.000 2.888 528 T HA 0.625 4.975 4.350 -0.000 0.000 0.284 528 T C -0.701 174.159 174.700 0.266 0.000 1.017 528 T CA -0.650 61.537 62.100 0.146 0.000 1.022 528 T CB 2.339 71.277 68.868 0.116 0.000 1.013 528 T HN 0.267 nan 8.240 nan 0.000 0.465 529 W N 2.731 124.048 121.300 0.029 0.000 3.097 529 W HA 0.630 5.290 4.660 -0.000 0.000 0.335 529 W C -2.264 174.270 176.519 0.024 0.000 1.114 529 W CA -1.350 56.037 57.345 0.070 0.000 1.231 529 W CB 1.622 31.153 29.460 0.117 0.000 1.388 529 W HN 0.716 nan 8.180 nan 0.000 0.485 530 V N 7.650 127.512 119.914 -0.087 0.000 2.540 530 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 530 V C -0.966 174.950 176.094 -0.296 0.000 1.035 530 V CA -0.780 61.256 62.300 -0.439 0.000 0.873 530 V CB 1.228 32.594 31.823 -0.762 0.000 0.992 530 V HN 0.359 nan 8.190 nan 0.000 0.428 531 Y N 2.600 122.584 120.300 -0.527 0.000 2.615 531 Y HA 0.886 5.436 4.550 -0.000 0.000 0.341 531 Y C -1.806 173.927 175.900 -0.278 0.000 1.089 531 Y CA -1.857 56.131 58.100 -0.187 0.000 1.049 531 Y CB 1.616 39.899 38.460 -0.296 0.000 1.296 531 Y HN 0.369 nan 8.280 nan 0.000 0.470 532 F N 1.511 121.633 119.950 0.286 0.000 2.551 532 F HA 0.672 5.199 4.527 -0.000 0.000 0.316 532 F C -0.364 175.633 175.800 0.328 0.000 1.089 532 F CA -1.093 57.041 58.000 0.223 0.000 0.915 532 F CB 1.961 41.085 39.000 0.207 0.000 1.186 532 F HN 0.322 nan 8.300 nan 0.000 0.456 533 R N 2.585 123.326 120.500 0.403 0.000 2.407 533 R HA 0.517 4.857 4.340 -0.000 0.000 0.303 533 R C -1.382 175.106 176.300 0.313 0.000 0.981 533 R CA -0.792 55.464 56.100 0.261 0.000 0.905 533 R CB 1.213 31.580 30.300 0.111 0.000 1.099 533 R HN 0.815 nan 8.270 nan 0.000 0.459 534 Y N -0.253 120.098 120.300 0.084 0.000 2.552 534 Y HA 0.592 5.142 4.550 -0.000 0.000 0.337 534 Y C -0.951 174.959 175.900 0.017 0.000 1.094 534 Y CA -1.328 56.808 58.100 0.061 0.000 1.028 534 Y CB 1.515 40.019 38.460 0.073 0.000 1.321 534 Y HN 0.694 nan 8.280 nan 0.000 0.456 535 N N 0.340 119.108 118.700 0.114 0.000 3.449 535 N HA 0.207 4.947 4.740 -0.000 0.000 0.312 535 N C -0.344 175.222 175.510 0.093 0.000 1.582 535 N CA -0.671 52.407 53.050 0.046 0.000 0.850 535 N CB 0.688 39.142 38.487 -0.055 0.000 1.822 535 N HN 0.749 nan 8.380 nan 0.000 0.577 536 K N -1.465 118.964 120.400 0.049 0.000 2.439 536 K HA 0.056 4.376 4.320 -0.000 0.000 0.197 536 K C -0.389 176.228 176.600 0.028 0.000 1.041 536 K CA 1.252 57.565 56.287 0.044 0.000 0.970 536 K CB -0.104 32.411 32.500 0.026 0.000 0.773 536 K HN 0.375 nan 8.250 nan 0.000 0.479 537 D N 0.570 120.979 120.400 0.014 0.000 2.338 537 D HA 0.061 4.701 4.640 -0.000 0.000 0.208 537 D C 0.004 176.307 176.300 0.006 0.000 0.997 537 D CA 0.670 54.670 54.000 -0.000 0.000 0.880 537 D CB 0.554 41.340 40.800 -0.025 0.000 0.980 537 D HN 0.186 nan 8.370 nan 0.000 0.509 538 K N -0.112 120.300 120.400 0.020 0.000 2.568 538 K HA 0.425 4.745 4.320 -0.000 0.000 0.273 538 K C -1.462 175.190 176.600 0.087 0.000 0.951 538 K CA -0.600 55.706 56.287 0.032 0.000 0.854 538 K CB 2.387 34.877 32.500 -0.016 0.000 1.424 538 K HN -0.268 nan 8.250 nan 0.000 0.427 539 R N 2.832 123.402 120.500 0.117 0.000 2.599 539 R HA 0.557 4.897 4.340 -0.000 0.000 0.295 539 R C -0.832 175.570 176.300 0.171 0.000 0.963 539 R CA -0.703 55.518 56.100 0.201 0.000 0.883 539 R CB 1.489 31.936 30.300 0.244 0.000 1.171 539 R HN 0.464 nan 8.270 nan 0.000 0.450 540 I N 3.506 124.186 120.570 0.182 0.000 2.410 540 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 540 I C -0.380 175.717 176.117 -0.033 0.000 1.009 540 I CA -0.466 60.892 61.300 0.097 0.000 1.111 540 I CB 1.920 39.991 38.000 0.119 0.000 1.262 540 I HN 0.439 nan 8.210 nan 0.000 0.443 541 M N 7.762 127.224 119.600 -0.229 0.000 2.088 541 M HA 0.492 4.972 4.480 -0.000 0.000 0.346 541 M C -1.564 174.352 176.300 -0.640 0.000 1.111 541 M CA -0.501 54.346 55.300 -0.755 0.000 1.017 541 M CB 1.129 33.255 32.600 -0.790 0.000 1.568 541 M HN 0.295 nan 8.290 nan 0.000 0.445 542 V N 4.740 124.133 119.914 -0.868 0.000 2.427 542 V HA 0.835 4.955 4.120 -0.000 0.000 0.286 542 V C -0.141 175.462 176.094 -0.818 0.000 1.034 542 V CA -0.578 61.223 62.300 -0.831 0.000 0.893 542 V CB 1.246 32.364 31.823 -1.176 0.000 0.982 542 V HN 0.924 nan 8.190 nan 0.000 0.452 543 A N 6.898 129.415 122.820 -0.505 0.000 2.381 543 A HA 0.923 5.243 4.320 -0.000 0.000 0.299 543 A C -0.689 176.785 177.584 -0.184 0.000 1.049 543 A CA -0.668 51.147 52.037 -0.370 0.000 0.715 543 A CB 1.591 20.382 19.000 -0.349 0.000 1.222 543 A HN 0.942 nan 8.150 nan 0.000 0.428 544 M N 1.311 120.871 119.600 -0.067 0.000 2.464 544 M HA 0.641 5.121 4.480 -0.000 0.000 0.308 544 M C -0.997 175.340 176.300 0.061 0.000 1.127 544 M CA -0.763 54.550 55.300 0.022 0.000 0.913 544 M CB 2.094 34.751 32.600 0.094 0.000 1.689 544 M HN 0.480 nan 8.290 nan 0.000 0.445 545 N N 2.384 121.110 118.700 0.044 0.000 2.707 545 N HA 0.215 4.955 4.740 -0.000 0.000 0.235 545 N C -1.298 174.243 175.510 0.052 0.000 1.028 545 N CA -0.215 52.864 53.050 0.050 0.000 0.906 545 N CB 0.662 39.169 38.487 0.033 0.000 1.131 545 N HN 0.811 nan 8.380 nan 0.000 0.509 546 N N 3.288 122.024 118.700 0.059 0.000 3.259 546 N HA 0.163 4.903 4.740 -0.000 0.000 0.308 546 N C -1.351 174.181 175.510 0.037 0.000 1.334 546 N CA -0.011 53.068 53.050 0.047 0.000 1.202 546 N CB -0.493 38.019 38.487 0.042 0.000 1.485 546 N HN 0.476 nan 8.380 nan 0.000 0.549 547 N N -0.008 118.715 118.700 0.038 0.000 2.331 547 N HA 0.107 4.847 4.740 -0.000 0.000 0.280 547 N C -1.385 174.145 175.510 0.035 0.000 1.155 547 N CA -0.469 52.601 53.050 0.033 0.000 0.822 547 N CB 1.395 39.901 38.487 0.031 0.000 1.619 547 N HN 0.123 nan 8.380 nan 0.000 0.476 548 D N 1.148 121.567 120.400 0.032 0.000 3.038 548 D HA 0.104 4.744 4.640 -0.000 0.000 0.243 548 D C -0.218 176.099 176.300 0.029 0.000 1.245 548 D CA 0.511 54.531 54.000 0.033 0.000 0.871 548 D CB -0.047 40.772 40.800 0.031 0.000 1.089 548 D HN 0.385 nan 8.370 nan 0.000 0.464 549 K N -1.663 118.753 120.400 0.028 0.000 2.568 549 K HA 0.503 4.823 4.320 -0.000 0.000 0.273 549 K C -3.363 173.252 176.600 0.025 0.000 0.951 549 K CA -1.784 54.517 56.287 0.024 0.000 0.854 549 K CB 2.032 34.545 32.500 0.021 0.000 1.424 549 K HN -0.292 nan 8.250 nan 0.000 0.427 550 P HA 0.167 nan 4.420 nan 0.000 0.272 550 P C -0.829 176.484 177.300 0.022 0.000 1.223 550 P CA -0.217 62.895 63.100 0.021 0.000 0.784 550 P CB 0.526 32.236 31.700 0.018 0.000 0.923 551 M N 1.095 120.709 119.600 0.024 0.000 2.446 551 M HA 0.334 4.814 4.480 -0.000 0.000 0.294 551 M C -0.486 175.832 176.300 0.029 0.000 1.158 551 M CA -0.242 55.075 55.300 0.028 0.000 0.899 551 M CB 2.148 34.769 32.600 0.036 0.000 1.687 551 M HN 0.167 nan 8.290 nan 0.000 0.455 552 T N 3.886 118.459 114.554 0.031 0.000 2.809 552 T HA 0.714 5.064 4.350 -0.000 0.000 0.284 552 T C -0.399 174.329 174.700 0.045 0.000 0.992 552 T CA -0.519 61.601 62.100 0.033 0.000 0.957 552 T CB 1.077 69.959 68.868 0.023 0.000 0.942 552 T HN 0.462 nan 8.240 nan 0.000 0.439 553 L N 5.071 126.336 121.223 0.070 0.000 2.298 553 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 553 L C -2.429 174.494 176.870 0.090 0.000 1.013 553 L CA -2.492 52.412 54.840 0.106 0.000 0.824 553 L CB 1.384 43.578 42.059 0.225 0.000 1.221 553 L HN 0.281 nan 8.230 nan 0.000 0.418 554 P HA -0.021 nan 4.420 nan 0.000 0.262 554 P C 0.819 178.078 177.300 -0.069 0.000 1.182 554 P CA 0.137 63.216 63.100 -0.034 0.000 0.761 554 P CB 0.628 32.282 31.700 -0.078 0.000 0.795 555 T N -0.220 114.338 114.554 0.007 0.000 3.100 555 T HA 0.086 4.436 4.350 -0.000 0.000 0.253 555 T C 1.680 176.340 174.700 -0.066 0.000 1.118 555 T CA 0.533 62.681 62.100 0.080 0.000 1.058 555 T CB -0.470 68.498 68.868 0.166 0.000 0.953 555 T HN 0.273 nan 8.240 nan 0.000 0.515 556 A N 2.369 125.119 122.820 -0.117 0.000 1.986 556 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 556 A C 2.466 179.921 177.584 -0.217 0.000 1.171 556 A CA 1.662 53.627 52.037 -0.121 0.000 0.640 556 A CB -0.820 18.124 19.000 -0.094 0.000 0.811 556 A HN 0.532 nan 8.150 nan 0.000 0.451 557 R N -1.554 118.672 120.500 -0.456 0.000 2.127 557 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 557 R C 0.539 176.471 176.300 -0.612 0.000 1.134 557 R CA 1.679 57.398 56.100 -0.634 0.000 0.975 557 R CB -0.235 29.399 30.300 -1.109 0.000 0.865 557 R HN 0.509 nan 8.270 nan 0.000 0.447 558 F N 0.256 120.072 119.950 -0.223 0.000 2.641 558 F HA 0.221 4.748 4.527 -0.000 0.000 0.302 558 F C 1.658 177.384 175.800 -0.122 0.000 1.098 558 F CA -0.339 57.460 58.000 -0.335 0.000 1.318 558 F CB 0.242 39.040 39.000 -0.336 0.000 1.035 558 F HN -0.125 nan 8.300 nan 0.000 0.551 559 Q N 1.200 121.022 119.800 0.037 0.000 2.291 559 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 559 Q C 2.009 177.999 176.000 -0.017 0.000 0.976 559 Q CA 1.448 57.257 55.803 0.011 0.000 0.875 559 Q CB -0.391 28.344 28.738 -0.005 0.000 0.927 559 Q HN 0.670 nan 8.270 nan 0.000 0.450 560 E N -0.936 119.274 120.200 0.017 0.000 2.268 560 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 560 E C 1.547 178.041 176.600 -0.177 0.000 0.995 560 E CA 0.723 57.099 56.400 -0.042 0.000 0.836 560 E CB 0.007 29.707 29.700 0.002 0.000 0.763 560 E HN 0.203 nan 8.360 nan 0.000 0.491 561 M N 0.236 119.674 119.600 -0.271 0.000 2.552 561 M HA 0.170 4.650 4.480 -0.000 0.000 0.264 561 M C 2.216 178.237 176.300 -0.464 0.000 1.159 561 M CA 0.544 55.462 55.300 -0.638 0.000 1.176 561 M CB -0.074 31.627 32.600 -1.498 0.000 1.327 561 M HN 0.167 nan 8.290 nan 0.000 0.481 562 L N 0.079 121.159 121.223 -0.239 0.000 2.209 562 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 562 L C 0.565 177.415 176.870 -0.033 0.000 1.094 562 L CA 0.209 55.017 54.840 -0.054 0.000 0.790 562 L CB -0.184 41.915 42.059 0.067 0.000 0.932 562 L HN 0.208 nan 8.230 nan 0.000 0.447 563 K N 0.890 121.263 120.400 -0.046 0.000 3.177 563 K HA -0.238 4.082 4.320 -0.000 0.000 0.266 563 K C 0.963 177.558 176.600 -0.007 0.000 0.937 563 K CA 0.805 57.074 56.287 -0.029 0.000 0.702 563 K CB -2.257 30.219 32.500 -0.040 0.000 1.365 563 K HN 0.657 nan 8.250 nan 0.000 0.466 564 G N -1.387 107.415 108.800 0.004 0.000 2.148 564 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 564 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 564 G C 0.329 175.240 174.900 0.019 0.000 0.981 564 G CA 0.696 45.803 45.100 0.012 0.000 0.670 564 G HN 1.084 nan 8.290 nan 0.000 0.528 565 A N 0.795 123.631 122.820 0.027 0.000 2.561 565 A HA 0.513 4.833 4.320 -0.000 0.000 0.251 565 A C 0.198 177.803 177.584 0.036 0.000 1.062 565 A CA 0.273 52.331 52.037 0.035 0.000 0.761 565 A CB 0.413 19.444 19.000 0.051 0.000 0.986 565 A HN 0.250 nan 8.150 nan 0.000 0.510 566 P HA 0.004 nan 4.420 nan 0.000 0.227 566 P C 0.208 177.523 177.300 0.025 0.000 1.161 566 P CA 1.347 64.462 63.100 0.025 0.000 0.788 566 P CB 0.065 31.777 31.700 0.019 0.000 0.822 567 S N -2.919 112.798 115.700 0.027 0.000 2.627 567 S HA 0.659 5.129 4.470 -0.000 0.000 0.268 567 S C -0.806 173.810 174.600 0.025 0.000 1.130 567 S CA -0.289 57.925 58.200 0.022 0.000 0.819 567 S CB 1.203 64.413 63.200 0.016 0.000 1.100 567 S HN 0.299 nan 8.310 nan 0.000 0.465 568 G N -0.345 108.466 108.800 0.018 0.000 2.677 568 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 568 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 568 G C -1.659 173.249 174.900 0.014 0.000 1.435 568 G CA -0.535 44.579 45.100 0.023 0.000 0.826 568 G HN 1.205 nan 8.290 nan 0.000 0.491 569 V N 1.343 121.273 119.914 0.026 0.000 2.432 569 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 569 V C 0.055 176.164 176.094 0.025 0.000 1.046 569 V CA -0.432 61.883 62.300 0.025 0.000 0.945 569 V CB 1.216 33.064 31.823 0.042 0.000 0.992 569 V HN 0.763 nan 8.190 nan 0.000 0.471 570 D N 3.444 123.842 120.400 -0.004 0.000 2.358 570 D HA -0.012 4.628 4.640 -0.000 0.000 0.258 570 D C 0.654 176.944 176.300 -0.017 0.000 1.223 570 D CA -0.110 53.876 54.000 -0.025 0.000 0.886 570 D CB 0.574 41.339 40.800 -0.057 0.000 1.120 570 D HN 0.402 nan 8.370 nan 0.000 0.482 571 F N 4.314 124.156 119.950 -0.181 0.000 2.216 571 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 571 F C 1.400 177.046 175.800 -0.256 0.000 1.085 571 F CA 1.196 59.041 58.000 -0.258 0.000 1.326 571 F CB -0.034 38.675 39.000 -0.485 0.000 1.027 571 F HN 0.461 nan 8.300 nan 0.000 0.497 572 L N -0.333 120.666 121.223 -0.373 0.000 2.005 572 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 572 L C 2.633 179.323 176.870 -0.300 0.000 1.072 572 L CA 1.769 56.373 54.840 -0.392 0.000 0.744 572 L CB -1.103 40.830 42.059 -0.210 0.000 0.895 572 L HN 0.297 nan 8.230 nan 0.000 0.433 573 S N -1.315 114.272 115.700 -0.188 0.000 2.503 573 S HA 0.154 4.624 4.470 -0.000 0.000 0.217 573 S C 1.621 176.150 174.600 -0.118 0.000 0.999 573 S CA 0.433 58.557 58.200 -0.127 0.000 0.914 573 S CB 0.688 63.842 63.200 -0.076 0.000 0.782 573 S HN 0.558 nan 8.310 nan 0.000 0.520 574 G N 1.309 110.034 108.800 -0.126 0.000 2.184 574 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 574 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 574 G C -0.010 174.867 174.900 -0.039 0.000 0.975 574 G CA 0.444 45.499 45.100 -0.075 0.000 0.642 574 G HN 0.603 nan 8.290 nan 0.000 0.536 575 K N 1.061 121.437 120.400 -0.041 0.000 2.185 575 K HA 0.475 4.795 4.320 -0.000 0.000 0.271 575 K C 0.255 176.846 176.600 -0.016 0.000 1.013 575 K CA -0.084 56.188 56.287 -0.025 0.000 0.943 575 K CB 0.733 33.218 32.500 -0.026 0.000 0.998 575 K HN 0.096 nan 8.250 nan 0.000 0.468 576 T N 1.895 116.444 114.554 -0.008 0.000 2.814 576 T HA 0.146 4.496 4.350 -0.000 0.000 0.297 576 T C -0.116 174.579 174.700 -0.007 0.000 0.956 576 T CA -0.512 61.587 62.100 -0.003 0.000 1.123 576 T CB 0.488 69.357 68.868 0.003 0.000 0.902 576 T HN 0.141 nan 8.240 nan 0.000 0.528 577 V N 3.303 123.212 119.914 -0.009 0.000 2.398 577 V HA 0.579 4.699 4.120 -0.000 0.000 0.286 577 V C 0.975 177.067 176.094 -0.004 0.000 1.026 577 V CA -0.981 61.311 62.300 -0.013 0.000 0.868 577 V CB 1.602 33.407 31.823 -0.030 0.000 0.982 577 V HN 1.033 nan 8.190 nan 0.000 0.443 578 G N 3.467 112.267 108.800 0.000 0.000 2.442 578 G HA2 0.478 4.438 3.960 -0.000 0.000 0.249 578 G HA3 0.478 4.438 3.960 -0.000 0.000 0.249 578 G C 0.149 175.058 174.900 0.014 0.000 1.263 578 G CA -0.158 44.947 45.100 0.008 0.000 0.846 578 G HN 0.741 nan 8.290 nan 0.000 0.555 579 L N 2.017 123.255 121.223 0.024 0.000 3.360 579 L HA 0.203 4.543 4.340 -0.000 0.000 0.303 579 L C 2.430 179.328 176.870 0.046 0.000 1.218 579 L CA 0.289 55.154 54.840 0.041 0.000 1.059 579 L CB 0.619 42.707 42.059 0.049 0.000 1.468 579 L HN 0.726 nan 8.230 nan 0.000 0.614 580 G N 0.709 109.528 108.800 0.032 0.000 2.446 580 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 580 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 580 G C 1.630 176.544 174.900 0.024 0.000 1.168 580 G CA 1.142 46.258 45.100 0.026 0.000 0.771 580 G HN 0.278 nan 8.290 nan 0.000 0.551 581 R N -0.230 120.284 120.500 0.023 0.000 2.492 581 R HA 0.233 4.573 4.340 -0.000 0.000 0.219 581 R C -0.150 176.163 176.300 0.022 0.000 0.886 581 R CA 0.513 56.623 56.100 0.016 0.000 1.003 581 R CB 0.599 30.904 30.300 0.009 0.000 1.345 581 R HN 0.512 nan 8.270 nan 0.000 0.631 582 E N 0.455 120.675 120.200 0.033 0.000 2.375 582 E HA 0.174 4.524 4.350 -0.000 0.000 0.280 582 E C -1.863 174.766 176.600 0.048 0.000 0.972 582 E CA -0.934 55.491 56.400 0.043 0.000 0.782 582 E CB 1.419 31.135 29.700 0.026 0.000 1.229 582 E HN -0.009 nan 8.360 nan 0.000 0.439 583 L N 2.021 123.284 121.223 0.065 0.000 2.280 583 L HA 0.461 4.801 4.340 -0.000 0.000 0.287 583 L C -0.829 176.057 176.870 0.026 0.000 1.023 583 L CA -0.385 54.477 54.840 0.037 0.000 0.819 583 L CB 0.886 42.961 42.059 0.026 0.000 1.212 583 L HN 0.542 nan 8.230 nan 0.000 0.420 584 R N 6.492 126.999 120.500 0.011 0.000 2.204 584 R HA 0.502 4.842 4.340 -0.000 0.000 0.341 584 R C -1.178 175.123 176.300 0.002 0.000 1.035 584 R CA -0.524 55.582 56.100 0.010 0.000 0.887 584 R CB 0.656 30.961 30.300 0.009 0.000 1.114 584 R HN 0.611 nan 8.270 nan 0.000 0.473 585 L N 2.594 123.820 121.223 0.005 0.000 2.295 585 L HA 0.487 4.827 4.340 -0.000 0.000 0.285 585 L C 0.637 177.513 176.870 0.009 0.000 1.035 585 L CA -0.748 54.093 54.840 0.001 0.000 0.806 585 L CB 1.674 43.733 42.059 0.001 0.000 1.214 585 L HN 0.620 nan 8.230 nan 0.000 0.426 586 A N 4.891 127.716 122.820 0.009 0.000 2.346 586 A HA 0.500 4.820 4.320 -0.000 0.000 0.252 586 A C -2.327 175.272 177.584 0.024 0.000 1.089 586 A CA -1.199 50.848 52.037 0.016 0.000 0.797 586 A CB -0.408 18.602 19.000 0.017 0.000 1.047 586 A HN 0.460 nan 8.150 nan 0.000 0.494 587 P HA 0.065 nan 4.420 nan 0.000 0.264 587 P C -0.425 176.901 177.300 0.044 0.000 1.183 587 P CA 0.576 63.697 63.100 0.035 0.000 0.763 587 P CB 0.111 31.832 31.700 0.036 0.000 0.807 588 K N -0.601 119.827 120.400 0.046 0.000 3.071 588 K HA -0.147 4.173 4.320 -0.000 0.000 0.265 588 K C 0.050 176.683 176.600 0.055 0.000 1.060 588 K CA 0.679 57.000 56.287 0.057 0.000 0.767 588 K CB -1.950 30.594 32.500 0.074 0.000 1.241 588 K HN 0.684 nan 8.250 nan 0.000 0.486 589 S N -0.990 114.733 115.700 0.038 0.000 2.651 589 S HA 0.749 5.219 4.470 -0.000 0.000 0.291 589 S C -0.225 174.379 174.600 0.006 0.000 1.141 589 S CA -0.691 57.523 58.200 0.024 0.000 1.027 589 S CB 2.779 65.986 63.200 0.011 0.000 1.043 589 S HN 0.228 nan 8.310 nan 0.000 0.530 590 V N 1.421 121.327 119.914 -0.012 0.000 2.808 590 V HA 0.765 4.885 4.120 -0.000 0.000 0.308 590 V C -1.005 175.045 176.094 -0.073 0.000 1.099 590 V CA -0.470 61.803 62.300 -0.044 0.000 0.920 590 V CB 1.784 33.588 31.823 -0.032 0.000 1.014 590 V HN 1.283 nan 8.190 nan 0.000 0.425 591 V N 4.137 123.983 119.914 -0.115 0.000 2.864 591 V HA 0.866 4.986 4.120 -0.000 0.000 0.314 591 V C -0.861 175.132 176.094 -0.169 0.000 1.073 591 V CA -0.663 61.561 62.300 -0.127 0.000 0.956 591 V CB 1.931 33.682 31.823 -0.120 0.000 1.023 591 V HN 0.692 nan 8.190 nan 0.000 0.435 592 V N 4.907 124.737 119.914 -0.141 0.000 2.327 592 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 592 V C -0.182 175.867 176.094 -0.075 0.000 1.019 592 V CA -0.117 62.102 62.300 -0.135 0.000 0.814 592 V CB 0.801 32.539 31.823 -0.142 0.000 1.040 592 V HN 0.793 nan 8.190 nan 0.000 0.440 593 I N 3.481 123.988 120.570 -0.105 0.000 2.342 593 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 593 I C 0.445 176.564 176.117 0.005 0.000 1.010 593 I CA -0.130 61.139 61.300 -0.051 0.000 1.308 593 I CB 1.115 39.063 38.000 -0.086 0.000 1.400 593 I HN 0.532 nan 8.210 nan 0.000 0.488 594 E N 7.234 127.467 120.200 0.055 0.000 2.175 594 E HA 0.654 5.004 4.350 -0.000 0.000 0.278 594 E C -1.007 175.637 176.600 0.073 0.000 0.969 594 E CA -0.564 55.888 56.400 0.087 0.000 0.796 594 E CB 2.052 31.823 29.700 0.118 0.000 1.104 594 E HN 0.428 nan 8.360 nan 0.000 0.395 595 L N 3.266 124.538 121.223 0.081 0.000 2.359 595 L HA 0.517 4.857 4.340 -0.000 0.000 0.256 595 L C -2.395 174.514 176.870 0.067 0.000 1.026 595 L CA -2.485 52.401 54.840 0.077 0.000 0.828 595 L CB 1.855 43.977 42.059 0.104 0.000 1.406 595 L HN 0.334 nan 8.230 nan 0.000 0.413 596 P HA 0.083 nan 4.420 nan 0.000 0.271 596 P C -0.155 177.174 177.300 0.049 0.000 1.244 596 P CA -0.278 62.847 63.100 0.042 0.000 0.793 596 P CB 0.277 31.996 31.700 0.032 0.000 0.984 597 G N -0.135 108.689 108.800 0.040 0.000 2.690 597 G HA2 0.239 4.199 3.960 -0.000 0.000 0.239 597 G HA3 0.239 4.199 3.960 -0.000 0.000 0.239 597 G C -0.927 174.002 174.900 0.048 0.000 1.233 597 G CA -0.174 44.955 45.100 0.049 0.000 0.847 597 G HN 0.474 nan 8.290 nan 0.000 0.588 598 L N 2.345 123.608 121.223 0.066 0.000 2.265 598 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 598 L C -1.757 175.140 176.870 0.045 0.000 1.033 598 L CA -1.557 53.306 54.840 0.038 0.000 0.814 598 L CB 1.302 43.378 42.059 0.030 0.000 1.203 598 L HN 0.305 nan 8.230 nan 0.000 0.423 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.113 63.100 0.022 0.000 0.800 599 P CB 0.000 31.705 31.700 0.009 0.000 0.726