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 2d0f_1_A DATA FIRST_RESID 1 DATA SEQUENCE AANDNNVEWN GLFHDQGPLF DNAPEPTSTQ SVTLKLRTFK GDITSANIKY DATA SEQUENCE WDTADNAFHW VPMVWDSNDP TGTFDYWKGT IPASPSIKYY RFQINDGTST DATA SEQUENCE AWYNGNGPSS TEPNADDFYI IPNFKTPDWL KNGVMYQIFP DRFYNGDSSN DATA SEQUENCE DVQTGSYTYN GTPTEKKAWG SSVYADPGYD NSLVFFGGDL AGIDQKLGYI DATA SEQUENCE KKTLGANILY LNPIFKAPTN HKYDTQDYMA VDPAFGDNST LQTLINDIHS DATA SEQUENCE TANGPKGYLI LDGVFNHTGD SHPWFDKYNN FSSQGAYESQ SSPWYNYYTF DATA SEQUENCE YTWPDSYASF LGFNSLPKLN YGNSGSAVRG VIYNNSNSVA KTYLNPPYSV DATA SEQUENCE DGWRLNAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGEYWGN DATA SEQUENCE ANPWTAQGNQ WDAATNFDGF TQPVSEWITG KDYQNNSASI STTQFDSWLR DATA SEQUENCE GTRANYPTNV QQSMMNFLSN HDITRFATRS GGDLWKTYLA LIFQMTYVGT DATA SEQUENCE PTIYYGDEYG MQGGADPDNR RSFDWSQATP SNSAVALTQK LITIRNQYPA DATA SEQUENCE LRTGSFMTLI TDDTNKIYSY GRFDNVNRIA VVLNNDSVSH TVNVPVWQLS DATA SEQUENCE MPNGSTVTDK ITGHSYTVQN GMVTVAVDGH YGAVLAQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.006 0.000 1.274 1 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 1 A CB 0.000 19.036 19.000 0.060 0.000 0.831 2 A N -0.004 122.836 122.820 0.034 0.000 2.511 2 A HA 0.709 5.024 4.320 -0.009 0.000 0.293 2 A C -1.715 175.901 177.584 0.053 0.000 1.098 2 A CA -0.705 51.353 52.037 0.036 0.000 0.643 2 A CB 0.477 19.481 19.000 0.007 0.000 1.302 2 A HN 0.865 nan 8.150 nan 0.000 0.446 3 N N 2.319 121.046 118.700 0.046 0.000 2.448 3 N HA 0.317 5.052 4.740 -0.009 0.000 0.250 3 N C -1.128 174.402 175.510 0.034 0.000 1.136 3 N CA 0.303 53.381 53.050 0.047 0.000 0.953 3 N CB 0.559 39.074 38.487 0.046 0.000 1.251 3 N HN 0.612 nan 8.380 nan 0.000 0.502 4 D N 0.344 120.766 120.400 0.037 0.000 2.837 4 D HA 0.074 4.709 4.640 -0.009 0.000 0.340 4 D C -0.365 175.953 176.300 0.031 0.000 1.451 4 D CA -0.534 53.483 54.000 0.028 0.000 0.798 4 D CB -0.419 40.394 40.800 0.022 0.000 1.169 4 D HN 0.044 nan 8.370 nan 0.000 0.449 5 N N 1.378 120.099 118.700 0.035 0.000 2.727 5 N HA -0.220 4.515 4.740 -0.009 0.000 0.249 5 N C -0.941 174.596 175.510 0.045 0.000 1.048 5 N CA 0.880 53.952 53.050 0.037 0.000 0.714 5 N CB -1.361 37.144 38.487 0.030 0.000 0.959 5 N HN 0.694 nan 8.380 nan 0.000 0.544 6 N N -0.536 118.199 118.700 0.058 0.000 2.600 6 N HA 0.146 4.881 4.740 -0.009 0.000 0.272 6 N C -1.344 174.234 175.510 0.112 0.000 1.095 6 N CA -0.345 52.751 53.050 0.075 0.000 0.993 6 N CB 1.473 39.994 38.487 0.057 0.000 1.603 6 N HN -0.156 nan 8.380 nan 0.000 0.526 7 V N 3.195 123.200 119.914 0.152 0.000 2.408 7 V HA 0.190 4.304 4.120 -0.009 0.000 0.267 7 V C 0.258 176.542 176.094 0.316 0.000 1.047 7 V CA -0.280 62.145 62.300 0.208 0.000 0.937 7 V CB 0.867 32.813 31.823 0.204 0.000 0.999 7 V HN 0.536 nan 8.190 nan 0.000 0.472 8 E N 4.908 125.305 120.200 0.328 0.000 2.070 8 E HA 0.043 4.387 4.350 -0.009 0.000 0.282 8 E C -0.192 176.702 176.600 0.490 0.000 1.104 8 E CA -0.311 56.331 56.400 0.404 0.000 0.876 8 E CB 0.593 30.599 29.700 0.510 0.000 1.055 8 E HN 0.704 nan 8.360 nan 0.000 0.401 9 W N 2.811 124.222 121.300 0.184 0.000 2.325 9 W HA -0.191 4.464 4.660 -0.009 0.000 0.299 9 W C 1.458 178.076 176.519 0.165 0.000 1.215 9 W CA 0.793 58.240 57.345 0.170 0.000 1.244 9 W CB -0.772 28.784 29.460 0.160 0.000 1.140 9 W HN 0.604 nan 8.180 nan 0.000 0.523 10 N N -1.116 117.852 118.700 0.448 0.000 2.364 10 N HA -0.090 4.645 4.740 -0.009 0.000 0.183 10 N C 1.865 177.394 175.510 0.031 0.000 1.022 10 N CA 0.950 54.202 53.050 0.337 0.000 0.883 10 N CB -0.551 38.233 38.487 0.496 0.000 0.965 10 N HN 0.174 nan 8.380 nan 0.000 0.438 11 G N 0.301 108.911 108.800 -0.317 0.000 2.838 11 G HA2 0.141 4.096 3.960 -0.009 0.000 0.210 11 G HA3 0.141 4.096 3.960 -0.009 0.000 0.210 11 G C 0.464 175.187 174.900 -0.295 0.000 1.153 11 G CA -0.234 44.276 45.100 -0.982 0.000 0.778 11 G HN 0.050 nan 8.290 nan 0.000 0.539 12 L N 0.257 121.430 121.223 -0.084 0.000 2.371 12 L HA 0.647 4.982 4.340 -0.009 0.000 0.272 12 L C -0.626 176.211 176.870 -0.055 0.000 1.124 12 L CA -0.552 54.228 54.840 -0.101 0.000 0.816 12 L CB 1.058 43.096 42.059 -0.035 0.000 1.129 12 L HN 0.077 nan 8.230 nan 0.000 0.448 13 F N 2.576 122.214 119.950 -0.520 0.000 2.704 13 F HA 0.447 4.968 4.527 -0.009 0.000 0.312 13 F C -1.065 174.257 175.800 -0.796 0.000 1.108 13 F CA -0.566 57.112 58.000 -0.537 0.000 1.005 13 F CB 1.177 39.964 39.000 -0.355 0.000 1.277 13 F HN 0.540 nan 8.300 nan 0.000 0.445 14 H N 4.058 122.004 119.070 -1.874 0.000 3.121 14 H HA 0.441 4.992 4.556 -0.009 0.000 0.337 14 H C -2.317 172.333 175.328 -1.130 0.000 1.198 14 H CA -0.258 54.915 56.048 -1.458 0.000 1.274 14 H CB 2.165 31.300 29.762 -1.045 0.000 1.954 14 H HN 0.814 nan 8.280 nan 0.000 0.531 15 D N 2.243 121.743 120.400 -1.501 0.000 2.713 15 D HA 0.046 4.681 4.640 -0.009 0.000 0.306 15 D C -0.546 175.318 176.300 -0.727 0.000 1.299 15 D CA -0.530 53.012 54.000 -0.763 0.000 0.823 15 D CB 0.705 41.378 40.800 -0.212 0.000 1.353 15 D HN 0.544 nan 8.370 nan 0.000 0.447 16 Q N 0.011 119.658 119.800 -0.255 0.000 2.225 16 Q HA 0.382 4.717 4.340 -0.009 0.000 0.222 16 Q C 0.773 176.753 176.000 -0.034 0.000 0.887 16 Q CA -0.314 55.425 55.803 -0.106 0.000 0.958 16 Q CB 0.619 29.382 28.738 0.041 0.000 1.058 16 Q HN 0.489 nan 8.270 nan 0.000 0.459 17 G N 1.469 110.266 108.800 -0.007 0.000 2.634 17 G HA2 0.066 4.020 3.960 -0.009 0.000 0.255 17 G HA3 0.066 4.020 3.960 -0.009 0.000 0.255 17 G C -1.880 172.996 174.900 -0.041 0.000 1.205 17 G CA -1.033 44.058 45.100 -0.015 0.000 0.884 17 G HN -0.005 nan 8.290 nan 0.000 0.549 18 P HA -0.130 nan 4.420 nan 0.000 0.217 18 P C 1.964 179.119 177.300 -0.240 0.000 1.151 18 P CA 0.947 63.962 63.100 -0.142 0.000 0.849 18 P CB 0.100 31.721 31.700 -0.132 0.000 0.787 19 L N -3.383 117.602 121.223 -0.397 0.000 2.291 19 L HA -0.055 4.280 4.340 -0.009 0.000 0.214 19 L C 1.374 177.660 176.870 -0.973 0.000 1.120 19 L CA 1.112 55.493 54.840 -0.765 0.000 0.799 19 L CB -0.436 40.984 42.059 -1.064 0.000 0.925 19 L HN -0.027 nan 8.230 nan 0.000 0.446 20 F N -2.393 117.474 119.950 -0.138 0.000 2.728 20 F HA 0.277 4.799 4.527 -0.009 0.000 0.314 20 F C 0.283 176.045 175.800 -0.062 0.000 1.094 20 F CA -0.549 57.386 58.000 -0.108 0.000 1.217 20 F CB 0.542 39.423 39.000 -0.198 0.000 1.056 20 F HN -0.154 nan 8.300 nan 0.000 0.577 21 D N 0.426 120.845 120.400 0.032 0.000 2.763 21 D HA 0.096 4.730 4.640 -0.009 0.000 0.235 21 D C 0.109 176.395 176.300 -0.023 0.000 1.334 21 D CA -0.147 53.875 54.000 0.037 0.000 0.950 21 D CB 0.912 41.749 40.800 0.062 0.000 1.433 21 D HN 0.039 nan 8.370 nan 0.000 0.580 22 N N 2.561 121.241 118.700 -0.033 0.000 2.398 22 N HA 0.079 4.814 4.740 -0.009 0.000 0.188 22 N C -0.265 175.222 175.510 -0.038 0.000 1.122 22 N CA -0.103 52.917 53.050 -0.050 0.000 0.866 22 N CB 0.490 38.941 38.487 -0.059 0.000 0.970 22 N HN 0.259 nan 8.380 nan 0.000 0.462 23 A N 1.157 123.964 122.820 -0.022 0.000 3.300 23 A HA 0.377 4.692 4.320 -0.009 0.000 0.300 23 A C -1.954 175.632 177.584 0.004 0.000 1.099 23 A CA -0.856 51.171 52.037 -0.016 0.000 0.846 23 A CB 0.964 19.952 19.000 -0.021 0.000 1.255 23 A HN 0.042 nan 8.150 nan 0.000 0.519 24 P HA -0.094 nan 4.420 nan 0.000 0.222 24 P C 0.147 177.452 177.300 0.009 0.000 1.147 24 P CA 1.262 64.371 63.100 0.016 0.000 0.790 24 P CB 0.371 32.065 31.700 -0.011 0.000 0.780 25 E N 0.606 120.797 120.200 -0.014 0.000 3.666 25 E HA 0.233 4.578 4.350 -0.009 0.000 0.230 25 E C -2.355 174.242 176.600 -0.006 0.000 1.235 25 E CA -1.654 54.731 56.400 -0.025 0.000 1.096 25 E CB 0.886 30.538 29.700 -0.081 0.000 1.287 25 E HN 0.352 nan 8.360 nan 0.000 0.406 26 P HA 0.014 nan 4.420 nan 0.000 0.274 26 P C 0.231 177.541 177.300 0.017 0.000 1.231 26 P CA -0.069 63.035 63.100 0.007 0.000 0.790 26 P CB 1.282 32.983 31.700 0.002 0.000 0.951 27 T N -1.945 112.614 114.554 0.008 0.000 2.852 27 T HA 0.185 4.530 4.350 -0.009 0.000 0.281 27 T C 1.419 176.123 174.700 0.007 0.000 0.993 27 T CA -0.380 61.729 62.100 0.015 0.000 0.933 27 T CB -0.311 68.563 68.868 0.010 0.000 1.187 27 T HN 0.251 nan 8.240 nan 0.000 0.559 28 S N 0.428 116.133 115.700 0.007 0.000 2.442 28 S HA -0.045 4.420 4.470 -0.009 0.000 0.236 28 S C 1.904 176.497 174.600 -0.012 0.000 1.007 28 S CA 1.404 59.603 58.200 -0.002 0.000 0.965 28 S CB -0.705 62.496 63.200 0.002 0.000 0.773 28 S HN 0.986 nan 8.310 nan 0.000 0.504 29 T N -1.003 113.545 114.554 -0.010 0.000 3.092 29 T HA 0.288 4.633 4.350 -0.009 0.000 0.258 29 T C 0.137 174.825 174.700 -0.019 0.000 1.031 29 T CA -0.341 61.750 62.100 -0.014 0.000 0.925 29 T CB 0.029 68.892 68.868 -0.010 0.000 1.036 29 T HN 0.186 nan 8.240 nan 0.000 0.544 30 Q N 2.464 122.251 119.800 -0.021 0.000 2.307 30 Q HA 0.517 4.852 4.340 -0.009 0.000 0.262 30 Q C -0.245 175.731 176.000 -0.039 0.000 0.961 30 Q CA -0.663 55.125 55.803 -0.026 0.000 0.882 30 Q CB 1.800 30.526 28.738 -0.021 0.000 1.264 30 Q HN 0.539 nan 8.270 nan 0.000 0.446 31 S N 0.691 116.364 115.700 -0.045 0.000 2.617 31 S HA 0.489 4.954 4.470 -0.009 0.000 0.269 31 S C 0.011 174.571 174.600 -0.067 0.000 1.292 31 S CA -0.764 57.398 58.200 -0.064 0.000 1.010 31 S CB 1.079 64.243 63.200 -0.058 0.000 0.944 31 S HN 0.345 nan 8.310 nan 0.000 0.536 32 V N 2.310 122.167 119.914 -0.095 0.000 2.334 32 V HA 0.366 4.481 4.120 -0.009 0.000 0.281 32 V C -0.010 176.021 176.094 -0.105 0.000 1.016 32 V CA -0.564 61.682 62.300 -0.091 0.000 0.832 32 V CB 1.140 32.901 31.823 -0.102 0.000 0.999 32 V HN 1.040 nan 8.190 nan 0.000 0.439 33 T N 7.311 121.822 114.554 -0.070 0.000 2.733 33 T HA 0.620 4.965 4.350 -0.009 0.000 0.294 33 T C -0.185 174.497 174.700 -0.031 0.000 0.956 33 T CA -0.100 61.965 62.100 -0.059 0.000 0.987 33 T CB 0.386 69.224 68.868 -0.051 0.000 0.920 33 T HN 0.335 nan 8.240 nan 0.000 0.470 34 L N 3.498 124.708 121.223 -0.021 0.000 2.331 34 L HA 0.617 4.951 4.340 -0.009 0.000 0.275 34 L C 0.272 177.224 176.870 0.136 0.000 1.022 34 L CA -0.991 53.898 54.840 0.082 0.000 0.812 34 L CB 1.501 43.560 42.059 0.001 0.000 1.257 34 L HN 0.345 nan 8.230 nan 0.000 0.435 35 K N 2.622 123.173 120.400 0.250 0.000 2.397 35 K HA 0.586 4.901 4.320 -0.009 0.000 0.253 35 K C -1.508 175.299 176.600 0.344 0.000 0.932 35 K CA -0.820 55.619 56.287 0.253 0.000 0.795 35 K CB 2.830 35.422 32.500 0.154 0.000 1.159 35 K HN 0.238 nan 8.250 nan 0.000 0.424 36 L N 2.641 123.960 121.223 0.160 0.000 2.322 36 L HA 0.442 4.777 4.340 -0.009 0.000 0.281 36 L C -0.509 176.439 176.870 0.131 0.000 1.014 36 L CA -0.352 54.412 54.840 -0.128 0.000 0.815 36 L CB 1.349 43.112 42.059 -0.493 0.000 1.247 36 L HN 0.553 nan 8.230 nan 0.000 0.421 37 R N 2.691 123.231 120.500 0.067 0.000 2.404 37 R HA 0.737 5.072 4.340 -0.009 0.000 0.291 37 R C -0.915 175.363 176.300 -0.036 0.000 1.025 37 R CA 0.175 56.319 56.100 0.074 0.000 0.991 37 R CB 1.064 31.413 30.300 0.082 0.000 1.053 37 R HN 0.907 nan 8.270 nan 0.000 0.479 38 T N -0.256 114.342 114.554 0.073 0.000 2.843 38 T HA 0.375 4.720 4.350 -0.009 0.000 0.302 38 T C -0.275 174.588 174.700 0.271 0.000 1.232 38 T CA -0.754 61.407 62.100 0.101 0.000 1.009 38 T CB 0.713 69.658 68.868 0.129 0.000 1.254 38 T HN 0.341 nan 8.240 nan 0.000 0.504 39 F N 1.638 121.782 119.950 0.324 0.000 2.496 39 F HA 0.308 4.830 4.527 -0.009 0.000 0.344 39 F C 1.454 177.368 175.800 0.191 0.000 1.155 39 F CA -0.587 57.555 58.000 0.238 0.000 1.302 39 F CB 0.736 39.821 39.000 0.141 0.000 1.159 39 F HN 0.608 nan 8.300 nan 0.000 0.595 40 K N 1.824 122.427 120.400 0.340 0.000 2.484 40 K HA 0.114 4.429 4.320 -0.009 0.000 0.280 40 K C 0.932 177.660 176.600 0.213 0.000 1.013 40 K CA 0.839 57.279 56.287 0.255 0.000 1.029 40 K CB 0.108 32.696 32.500 0.147 0.000 0.902 40 K HN 0.905 nan 8.250 nan 0.000 0.481 41 G N 3.757 112.696 108.800 0.232 0.000 2.203 41 G HA2 -0.311 3.643 3.960 -0.009 0.000 0.263 41 G HA3 -0.311 3.643 3.960 -0.009 0.000 0.263 41 G C 0.442 175.449 174.900 0.178 0.000 1.012 41 G CA 0.804 46.006 45.100 0.170 0.000 0.749 41 G HN 0.928 nan 8.290 nan 0.000 0.512 42 D N -0.360 120.182 120.400 0.237 0.000 2.249 42 D HA 0.150 4.785 4.640 -0.009 0.000 0.205 42 D C 1.550 177.935 176.300 0.141 0.000 0.962 42 D CA 1.142 55.263 54.000 0.202 0.000 0.860 42 D CB 0.063 41.035 40.800 0.286 0.000 0.955 42 D HN 0.862 nan 8.370 nan 0.000 0.505 43 I N -3.541 117.108 120.570 0.131 0.000 3.170 43 I HA 0.462 4.627 4.170 -0.009 0.000 0.312 43 I C 0.822 176.965 176.117 0.044 0.000 1.085 43 I CA -0.538 60.768 61.300 0.010 0.000 0.999 43 I CB 1.959 39.839 38.000 -0.200 0.000 1.233 43 I HN -0.226 nan 8.210 nan 0.000 0.467 44 T N -1.671 112.866 114.554 -0.029 0.000 2.969 44 T HA 0.320 4.665 4.350 -0.009 0.000 0.250 44 T C 0.549 175.242 174.700 -0.011 0.000 1.021 44 T CA 0.504 62.630 62.100 0.043 0.000 1.003 44 T CB -0.304 68.589 68.868 0.042 0.000 1.040 44 T HN 0.996 nan 8.240 nan 0.000 0.492 45 S N -0.185 115.380 115.700 -0.224 0.000 2.578 45 S HA 0.761 5.226 4.470 -0.009 0.000 0.272 45 S C -1.600 172.745 174.600 -0.425 0.000 1.145 45 S CA -0.595 57.438 58.200 -0.278 0.000 0.835 45 S CB 1.336 64.515 63.200 -0.034 0.000 1.104 45 S HN 1.083 nan 8.310 nan 0.000 0.458 46 A N 1.631 124.212 122.820 -0.398 0.000 2.549 46 A HA 0.883 5.198 4.320 -0.009 0.000 0.297 46 A C -1.433 176.018 177.584 -0.221 0.000 1.061 46 A CA -0.845 50.984 52.037 -0.347 0.000 0.690 46 A CB 1.400 20.116 19.000 -0.474 0.000 1.287 46 A HN 0.798 nan 8.150 nan 0.000 0.402 47 N N 0.762 119.273 118.700 -0.316 0.000 2.235 47 N HA 0.467 5.202 4.740 -0.009 0.000 0.293 47 N C -1.428 173.764 175.510 -0.529 0.000 1.083 47 N CA -0.373 52.335 53.050 -0.570 0.000 0.801 47 N CB 2.040 39.801 38.487 -1.210 0.000 1.559 47 N HN 0.579 nan 8.380 nan 0.000 0.472 48 I N 1.126 121.416 120.570 -0.468 0.000 2.342 48 I HA 0.213 4.378 4.170 -0.009 0.000 0.291 48 I C 0.480 176.414 176.117 -0.305 0.000 1.010 48 I CA -0.296 60.792 61.300 -0.354 0.000 1.308 48 I CB 0.932 38.773 38.000 -0.264 0.000 1.400 48 I HN 0.203 nan 8.210 nan 0.000 0.488 49 K N 7.875 128.210 120.400 -0.109 0.000 2.307 49 K HA 0.419 4.734 4.320 -0.009 0.000 0.263 49 K C -1.630 175.210 176.600 0.399 0.000 0.973 49 K CA -0.581 55.811 56.287 0.175 0.000 0.846 49 K CB 1.134 33.831 32.500 0.329 0.000 1.100 49 K HN 0.542 nan 8.250 nan 0.000 0.438 50 Y N 1.912 122.454 120.300 0.402 0.000 2.442 50 Y HA 0.453 4.998 4.550 -0.008 0.000 0.344 50 Y C -1.449 174.759 175.900 0.512 0.000 0.976 50 Y CA -1.375 56.991 58.100 0.444 0.000 1.040 50 Y CB 0.904 39.526 38.460 0.271 0.000 1.228 50 Y HN 0.566 nan 8.280 nan 0.000 0.451 51 W N 6.012 127.529 121.300 0.363 0.000 2.351 51 W HA 0.374 5.029 4.660 -0.009 0.000 0.311 51 W C -1.396 175.224 176.519 0.169 0.000 1.168 51 W CA -0.174 57.162 57.345 -0.015 0.000 1.200 51 W CB 1.619 30.961 29.460 -0.197 0.000 1.221 51 W HN 0.822 nan 8.180 nan 0.000 0.519 52 D N 3.921 124.158 120.400 -0.272 0.000 2.381 52 D HA 0.074 4.709 4.640 -0.009 0.000 0.235 52 D C 1.381 177.483 176.300 -0.330 0.000 1.068 52 D CA -0.115 53.822 54.000 -0.105 0.000 0.832 52 D CB 1.593 42.412 40.800 0.033 0.000 1.101 52 D HN 0.438 nan 8.370 nan 0.000 0.515 53 T N 0.965 115.465 114.554 -0.090 0.000 3.051 53 T HA -0.041 4.303 4.350 -0.009 0.000 0.269 53 T C 1.726 176.404 174.700 -0.037 0.000 1.127 53 T CA 0.834 62.950 62.100 0.027 0.000 1.107 53 T CB 0.025 68.950 68.868 0.094 0.000 0.898 53 T HN 0.301 nan 8.240 nan 0.000 0.517 54 A N 2.863 125.639 122.820 -0.073 0.000 1.898 54 A HA -0.032 4.282 4.320 -0.009 0.000 0.216 54 A C 1.903 179.444 177.584 -0.073 0.000 1.181 54 A CA 1.573 53.575 52.037 -0.059 0.000 0.620 54 A CB -0.390 18.573 19.000 -0.061 0.000 0.819 54 A HN 0.737 nan 8.150 nan 0.000 0.442 55 D N -3.058 117.268 120.400 -0.123 0.000 2.540 55 D HA 0.086 4.720 4.640 -0.009 0.000 0.229 55 D C -0.125 176.016 176.300 -0.265 0.000 1.250 55 D CA -0.182 53.738 54.000 -0.134 0.000 0.817 55 D CB -1.696 39.060 40.800 -0.073 0.000 1.060 55 D HN 0.462 nan 8.370 nan 0.000 0.508 56 N N -0.051 118.409 118.700 -0.400 0.000 2.714 56 N HA -0.118 4.617 4.740 -0.009 0.000 0.252 56 N C -0.736 174.034 175.510 -1.233 0.000 1.014 56 N CA 0.564 53.250 53.050 -0.607 0.000 0.735 56 N CB -0.767 37.693 38.487 -0.045 0.000 0.924 56 N HN 0.554 nan 8.380 nan 0.000 0.540 57 A N -0.058 121.815 122.820 -1.578 0.000 2.606 57 A HA 0.724 5.039 4.320 -0.009 0.000 0.293 57 A C -0.857 176.024 177.584 -1.171 0.000 1.082 57 A CA -0.660 50.660 52.037 -1.194 0.000 0.685 57 A CB 0.945 19.581 19.000 -0.607 0.000 1.284 57 A HN 0.136 nan 8.150 nan 0.000 0.408 58 F N 1.581 121.201 119.950 -0.551 0.000 2.389 58 F HA 0.476 4.998 4.527 -0.009 0.000 0.337 58 F C 0.930 176.275 175.800 -0.759 0.000 1.112 58 F CA 0.694 58.482 58.000 -0.353 0.000 1.192 58 F CB 1.020 40.028 39.000 0.012 0.000 1.185 58 F HN 0.455 nan 8.300 nan 0.000 0.552 59 H N 1.430 120.397 119.070 -0.171 0.000 2.768 59 H HA 0.131 4.681 4.556 -0.009 0.000 0.371 59 H C -1.317 173.972 175.328 -0.066 0.000 1.151 59 H CA -0.950 54.902 56.048 -0.326 0.000 1.165 59 H CB 2.231 31.445 29.762 -0.913 0.000 1.722 59 H HN 0.651 nan 8.280 nan 0.000 0.543 60 W N 3.278 124.563 121.300 -0.026 0.000 2.475 60 W HA 0.417 5.072 4.660 -0.008 0.000 0.317 60 W C -1.455 175.125 176.519 0.103 0.000 1.046 60 W CA -0.662 56.711 57.345 0.047 0.000 1.215 60 W CB 1.577 31.059 29.460 0.037 0.000 1.335 60 W HN 0.209 nan 8.180 nan 0.000 0.471 61 V N 7.589 127.438 119.914 -0.107 0.000 2.340 61 V HA 0.176 4.291 4.120 -0.009 0.000 0.277 61 V C -2.139 173.842 176.094 -0.189 0.000 1.017 61 V CA -1.854 60.420 62.300 -0.043 0.000 0.820 61 V CB 1.406 33.255 31.823 0.043 0.000 1.028 61 V HN 0.381 nan 8.190 nan 0.000 0.436 62 P HA 0.207 nan 4.420 nan 0.000 0.268 62 P C -0.149 177.179 177.300 0.047 0.000 1.204 62 P CA 0.338 63.423 63.100 -0.025 0.000 0.768 62 P CB 0.481 32.254 31.700 0.121 0.000 0.842 63 M N 2.305 121.962 119.600 0.096 0.000 2.444 63 M HA 0.472 4.946 4.480 -0.009 0.000 0.319 63 M C 0.040 176.585 176.300 0.409 0.000 1.183 63 M CA -0.841 54.596 55.300 0.230 0.000 1.032 63 M CB 1.407 34.172 32.600 0.274 0.000 1.569 63 M HN 0.091 nan 8.290 nan 0.000 0.468 64 V N -1.349 118.763 119.914 0.330 0.000 2.823 64 V HA 0.546 4.661 4.120 -0.009 0.000 0.312 64 V C -1.293 174.737 176.094 -0.106 0.000 1.072 64 V CA -0.982 61.435 62.300 0.195 0.000 0.937 64 V CB 1.536 33.417 31.823 0.097 0.000 1.013 64 V HN 1.006 nan 8.190 nan 0.000 0.430 65 W N 2.993 123.806 121.300 -0.811 0.000 2.231 65 W HA 0.347 5.002 4.660 -0.008 0.000 0.341 65 W C 0.838 177.089 176.519 -0.446 0.000 1.298 65 W CA 1.240 57.922 57.345 -1.105 0.000 1.266 65 W CB 1.140 29.988 29.460 -1.020 0.000 1.172 65 W HN 1.012 nan 8.180 nan 0.000 0.568 66 D N 1.435 121.107 120.400 -1.212 0.000 2.766 66 D HA 0.124 4.759 4.640 -0.009 0.000 0.284 66 D C 0.055 175.494 176.300 -1.435 0.000 1.050 66 D CA 1.093 54.537 54.000 -0.927 0.000 0.945 66 D CB 0.495 41.012 40.800 -0.471 0.000 1.272 66 D HN 0.278 nan 8.370 nan 0.000 0.482 67 S N -1.641 113.061 115.700 -1.663 0.000 2.656 67 S HA 0.389 4.854 4.470 -0.009 0.000 0.265 67 S C -1.534 172.923 174.600 -0.240 0.000 1.132 67 S CA -1.146 56.451 58.200 -1.005 0.000 0.819 67 S CB 0.774 63.762 63.200 -0.354 0.000 1.119 67 S HN 0.162 nan 8.310 nan 0.000 0.476 68 N N 0.811 119.613 118.700 0.169 0.000 2.459 68 N HA 0.515 5.250 4.740 -0.009 0.000 0.288 68 N C -1.339 174.352 175.510 0.302 0.000 1.186 68 N CA -0.856 52.359 53.050 0.276 0.000 0.917 68 N CB 0.802 39.472 38.487 0.305 0.000 1.219 68 N HN 0.817 nan 8.380 nan 0.000 0.525 69 D N 0.028 120.606 120.400 0.297 0.000 2.387 69 D HA 0.160 4.795 4.640 -0.009 0.000 0.251 69 D C -1.955 174.495 176.300 0.249 0.000 1.141 69 D CA -1.452 52.781 54.000 0.388 0.000 0.987 69 D CB 0.597 41.654 40.800 0.427 0.000 1.116 69 D HN 0.188 nan 8.370 nan 0.000 0.491 70 P HA -0.112 nan 4.420 nan 0.000 0.219 70 P C 1.294 178.672 177.300 0.130 0.000 1.146 70 P CA 1.996 65.180 63.100 0.141 0.000 0.808 70 P CB -0.061 31.707 31.700 0.114 0.000 0.779 71 T N -5.499 109.149 114.554 0.157 0.000 3.148 71 T HA 0.236 4.580 4.350 -0.009 0.000 0.253 71 T C 1.546 176.295 174.700 0.082 0.000 1.134 71 T CA 0.484 62.655 62.100 0.119 0.000 1.051 71 T CB -1.015 67.942 68.868 0.147 0.000 0.959 71 T HN 0.219 nan 8.240 nan 0.000 0.525 72 G N 0.583 109.447 108.800 0.106 0.000 2.168 72 G HA2 -0.302 3.652 3.960 -0.009 0.000 0.257 72 G HA3 -0.302 3.652 3.960 -0.009 0.000 0.257 72 G C 0.722 175.634 174.900 0.020 0.000 0.997 72 G CA 0.702 45.849 45.100 0.079 0.000 0.708 72 G HN 0.571 nan 8.290 nan 0.000 0.520 73 T N -0.823 113.712 114.554 -0.032 0.000 3.031 73 T HA 0.412 4.756 4.350 -0.009 0.000 0.254 73 T C 0.676 175.164 174.700 -0.353 0.000 1.060 73 T CA 0.925 62.863 62.100 -0.270 0.000 1.135 73 T CB 0.133 68.710 68.868 -0.484 0.000 0.896 73 T HN 0.338 nan 8.240 nan 0.000 0.472 74 F N 0.818 120.858 119.950 0.149 0.000 2.598 74 F HA 0.614 5.136 4.527 -0.009 0.000 0.327 74 F C -0.205 175.585 175.800 -0.017 0.000 1.057 74 F CA -1.537 56.497 58.000 0.056 0.000 0.957 74 F CB 1.144 40.057 39.000 -0.145 0.000 1.278 74 F HN -0.234 nan 8.300 nan 0.000 0.484 75 D N -0.302 120.230 120.400 0.220 0.000 2.340 75 D HA 0.346 4.981 4.640 -0.009 0.000 0.240 75 D C -1.505 174.774 176.300 -0.035 0.000 1.001 75 D CA -0.313 53.827 54.000 0.234 0.000 0.888 75 D CB 1.762 42.902 40.800 0.566 0.000 1.310 75 D HN 0.369 nan 8.370 nan 0.000 0.474 76 Y N 0.231 120.543 120.300 0.020 0.000 2.326 76 Y HA 0.330 4.874 4.550 -0.009 0.000 0.329 76 Y C -0.528 175.272 175.900 -0.167 0.000 0.973 76 Y CA -1.038 57.062 58.100 0.001 0.000 1.162 76 Y CB 1.224 39.624 38.460 -0.099 0.000 1.147 76 Y HN 0.219 nan 8.280 nan 0.000 0.456 77 W N 3.642 124.976 121.300 0.056 0.000 2.449 77 W HA 0.598 5.253 4.660 -0.009 0.000 0.331 77 W C -0.187 176.337 176.519 0.008 0.000 1.119 77 W CA -0.871 56.483 57.345 0.015 0.000 1.240 77 W CB 1.288 30.773 29.460 0.041 0.000 1.251 77 W HN 0.238 nan 8.180 nan 0.000 0.576 78 K N 1.414 121.911 120.400 0.161 0.000 2.328 78 K HA 0.849 5.164 4.320 -0.009 0.000 0.246 78 K C -0.465 176.195 176.600 0.100 0.000 0.955 78 K CA -0.765 55.575 56.287 0.089 0.000 0.817 78 K CB 1.729 34.220 32.500 -0.015 0.000 1.208 78 K HN 0.674 nan 8.250 nan 0.000 0.432 79 G N 0.954 109.788 108.800 0.058 0.000 2.742 79 G HA2 0.407 4.361 3.960 -0.009 0.000 0.296 79 G HA3 0.407 4.361 3.960 -0.009 0.000 0.296 79 G C -1.546 173.335 174.900 -0.031 0.000 1.436 79 G CA -0.457 44.657 45.100 0.024 0.000 0.928 79 G HN 0.426 nan 8.290 nan 0.000 0.520 80 T N 1.633 116.163 114.554 -0.041 0.000 2.824 80 T HA 0.519 4.864 4.350 -0.009 0.000 0.282 80 T C 0.025 174.662 174.700 -0.105 0.000 0.993 80 T CA -0.240 61.815 62.100 -0.076 0.000 0.967 80 T CB 1.279 70.117 68.868 -0.050 0.000 0.960 80 T HN 0.384 nan 8.240 nan 0.000 0.441 81 I N 5.985 126.439 120.570 -0.194 0.000 2.315 81 I HA 0.283 4.447 4.170 -0.009 0.000 0.291 81 I C -1.745 174.239 176.117 -0.221 0.000 1.006 81 I CA -2.495 58.621 61.300 -0.307 0.000 1.265 81 I CB 1.517 39.193 38.000 -0.541 0.000 1.387 81 I HN 0.343 nan 8.210 nan 0.000 0.475 82 P HA 0.010 nan 4.420 nan 0.000 0.269 82 P C -0.616 176.614 177.300 -0.117 0.000 1.217 82 P CA -0.301 62.738 63.100 -0.102 0.000 0.783 82 P CB 0.734 32.402 31.700 -0.053 0.000 0.898 83 A N 1.946 124.720 122.820 -0.077 0.000 2.354 83 A HA 0.561 4.876 4.320 -0.009 0.000 0.269 83 A C 0.467 178.017 177.584 -0.058 0.000 1.109 83 A CA 0.342 52.340 52.037 -0.065 0.000 0.800 83 A CB -0.284 18.690 19.000 -0.044 0.000 1.045 83 A HN 0.793 nan 8.150 nan 0.000 0.489 84 S N 1.105 116.773 115.700 -0.053 0.000 2.645 84 S HA 0.532 4.997 4.470 -0.009 0.000 0.268 84 S C -2.988 171.593 174.600 -0.033 0.000 1.110 84 S CA -0.582 57.592 58.200 -0.043 0.000 0.823 84 S CB 0.774 63.941 63.200 -0.055 0.000 1.091 84 S HN 0.202 nan 8.310 nan 0.000 0.466 85 P HA 0.135 nan 4.420 nan 0.000 0.236 85 P C 0.426 177.717 177.300 -0.014 0.000 1.177 85 P CA 0.577 63.671 63.100 -0.011 0.000 0.773 85 P CB -0.143 31.553 31.700 -0.006 0.000 0.878 86 S N -0.145 115.538 115.700 -0.029 0.000 2.580 86 S HA 0.245 4.710 4.470 -0.009 0.000 0.274 86 S C 0.247 174.816 174.600 -0.051 0.000 1.329 86 S CA -0.643 57.535 58.200 -0.037 0.000 1.036 86 S CB 0.066 63.238 63.200 -0.046 0.000 0.919 86 S HN -0.073 nan 8.310 nan 0.000 0.515 87 I N 2.385 122.918 120.570 -0.063 0.000 2.634 87 I HA 0.256 4.421 4.170 -0.009 0.000 0.284 87 I C 0.486 176.455 176.117 -0.247 0.000 1.124 87 I CA 0.052 61.281 61.300 -0.118 0.000 1.417 87 I CB 0.586 38.524 38.000 -0.104 0.000 1.396 87 I HN 0.665 nan 8.210 nan 0.000 0.571 88 K N 5.723 125.944 120.400 -0.299 0.000 2.477 88 K HA 0.570 4.885 4.320 -0.009 0.000 0.255 88 K C -1.738 174.669 176.600 -0.320 0.000 0.952 88 K CA -0.804 55.326 56.287 -0.261 0.000 0.826 88 K CB 2.384 34.854 32.500 -0.050 0.000 1.331 88 K HN 0.315 nan 8.250 nan 0.000 0.437 89 Y N 0.830 121.297 120.300 0.279 0.000 2.425 89 Y HA 0.450 4.995 4.550 -0.009 0.000 0.344 89 Y C -0.607 175.462 175.900 0.282 0.000 0.969 89 Y CA -1.176 56.986 58.100 0.103 0.000 1.052 89 Y CB 1.545 39.970 38.460 -0.059 0.000 1.215 89 Y HN 0.560 nan 8.280 nan 0.000 0.451 90 Y N 0.289 120.741 120.300 0.254 0.000 2.581 90 Y HA 0.899 5.444 4.550 -0.009 0.000 0.345 90 Y C -1.070 174.885 175.900 0.093 0.000 1.036 90 Y CA -1.886 56.322 58.100 0.180 0.000 1.042 90 Y CB 1.746 40.227 38.460 0.036 0.000 1.289 90 Y HN 0.698 nan 8.280 nan 0.000 0.471 91 R N 0.790 121.416 120.500 0.210 0.000 2.781 91 R HA 0.734 5.069 4.340 -0.009 0.000 0.269 91 R C -2.244 174.046 176.300 -0.017 0.000 1.025 91 R CA -0.844 55.357 56.100 0.168 0.000 0.914 91 R CB 1.797 32.248 30.300 0.251 0.000 1.236 91 R HN 0.577 nan 8.270 nan 0.000 0.465 92 F N 0.190 120.315 119.950 0.292 0.000 2.508 92 F HA 0.405 4.927 4.527 -0.009 0.000 0.325 92 F C 0.119 175.837 175.800 -0.137 0.000 1.090 92 F CA -0.788 57.237 58.000 0.042 0.000 0.945 92 F CB 2.229 41.199 39.000 -0.051 0.000 1.156 92 F HN 0.411 nan 8.300 nan 0.000 0.463 93 Q N 3.241 122.862 119.800 -0.299 0.000 2.333 93 Q HA 0.612 4.947 4.340 -0.009 0.000 0.265 93 Q C -1.692 174.021 176.000 -0.478 0.000 0.989 93 Q CA -0.700 54.582 55.803 -0.869 0.000 0.842 93 Q CB 1.344 29.493 28.738 -0.982 0.000 1.262 93 Q HN 0.671 nan 8.270 nan 0.000 0.451 94 I N 3.877 124.186 120.570 -0.436 0.000 2.406 94 I HA 0.384 4.549 4.170 -0.009 0.000 0.290 94 I C -0.574 175.401 176.117 -0.236 0.000 0.999 94 I CA -0.480 60.639 61.300 -0.302 0.000 1.124 94 I CB 1.687 39.547 38.000 -0.234 0.000 1.289 94 I HN 0.495 nan 8.210 nan 0.000 0.441 95 N N 4.152 122.728 118.700 -0.206 0.000 2.272 95 N HA 0.445 5.180 4.740 -0.009 0.000 0.305 95 N C -1.392 174.067 175.510 -0.085 0.000 1.103 95 N CA -0.625 52.356 53.050 -0.115 0.000 0.791 95 N CB 2.598 41.037 38.487 -0.080 0.000 1.356 95 N HN 0.493 nan 8.380 nan 0.000 0.486 96 D N 0.339 120.725 120.400 -0.023 0.000 2.330 96 D HA 0.419 5.053 4.640 -0.009 0.000 0.249 96 D C 0.793 177.107 176.300 0.023 0.000 1.306 96 D CA 0.178 54.182 54.000 0.006 0.000 0.956 96 D CB 0.285 41.105 40.800 0.033 0.000 1.261 96 D HN 0.780 nan 8.370 nan 0.000 0.544 97 G N 2.635 111.448 108.800 0.021 0.000 2.583 97 G HA2 -0.373 3.582 3.960 -0.009 0.000 0.292 97 G HA3 -0.373 3.582 3.960 -0.009 0.000 0.292 97 G C 1.167 176.083 174.900 0.028 0.000 1.203 97 G CA 0.826 45.942 45.100 0.027 0.000 0.987 97 G HN 0.959 nan 8.290 nan 0.000 0.554 98 T N -1.626 112.948 114.554 0.032 0.000 3.160 98 T HA 0.452 4.796 4.350 -0.009 0.000 0.257 98 T C 1.055 175.782 174.700 0.046 0.000 1.147 98 T CA 1.473 63.595 62.100 0.036 0.000 1.064 98 T CB 0.007 68.895 68.868 0.034 0.000 0.949 98 T HN 1.427 nan 8.240 nan 0.000 0.526 99 S N 0.810 116.538 115.700 0.047 0.000 2.442 99 S HA 0.569 5.033 4.470 -0.009 0.000 0.297 99 S C -0.619 174.015 174.600 0.056 0.000 1.131 99 S CA -0.495 57.744 58.200 0.065 0.000 1.092 99 S CB 0.935 64.180 63.200 0.075 0.000 0.998 99 S HN 0.412 nan 8.310 nan 0.000 0.478 100 T N 3.674 118.275 114.554 0.078 0.000 2.886 100 T HA 0.792 5.136 4.350 -0.009 0.000 0.292 100 T C -0.807 173.945 174.700 0.087 0.000 1.012 100 T CA -0.458 61.657 62.100 0.024 0.000 0.982 100 T CB 1.581 70.458 68.868 0.015 0.000 1.018 100 T HN 0.871 nan 8.240 nan 0.000 0.451 101 A N 2.113 124.914 122.820 -0.032 0.000 2.515 101 A HA 0.878 5.192 4.320 -0.009 0.000 0.296 101 A C -2.081 175.372 177.584 -0.218 0.000 1.094 101 A CA -0.910 51.154 52.037 0.045 0.000 0.718 101 A CB 1.294 20.359 19.000 0.109 0.000 1.307 101 A HN 0.785 nan 8.150 nan 0.000 0.408 102 W N -0.892 120.387 121.300 -0.035 0.000 2.719 102 W HA 0.692 5.347 4.660 -0.009 0.000 0.352 102 W C -1.017 175.495 176.519 -0.011 0.000 1.085 102 W CA -0.026 57.322 57.345 0.004 0.000 1.187 102 W CB 1.578 31.033 29.460 -0.009 0.000 1.417 102 W HN 0.660 nan 8.180 nan 0.000 0.557 103 Y N 3.448 123.880 120.300 0.222 0.000 2.399 103 Y HA 0.298 4.843 4.550 -0.009 0.000 0.327 103 Y C -0.478 175.614 175.900 0.320 0.000 1.111 103 Y CA -1.078 57.109 58.100 0.145 0.000 1.047 103 Y CB 0.772 39.260 38.460 0.047 0.000 1.259 103 Y HN 0.578 nan 8.280 nan 0.000 0.434 104 N N 1.419 120.179 118.700 0.100 0.000 3.621 104 N HA 0.344 5.079 4.740 -0.009 0.000 0.345 104 N C 0.933 176.053 175.510 -0.650 0.000 1.646 104 N CA -0.134 52.893 53.050 -0.039 0.000 0.731 104 N CB -0.019 38.355 38.487 -0.189 0.000 2.435 104 N HN 0.625 nan 8.380 nan 0.000 0.613 105 G N -0.661 107.404 108.800 -1.226 0.000 2.479 105 G HA2 -0.273 3.681 3.960 -0.009 0.000 0.220 105 G HA3 -0.273 3.681 3.960 -0.009 0.000 0.220 105 G C 0.863 175.488 174.900 -0.458 0.000 1.115 105 G CA 1.078 45.551 45.100 -1.045 0.000 0.757 105 G HN 0.684 nan 8.290 nan 0.000 0.560 106 N N -0.058 118.401 118.700 -0.401 0.000 2.268 106 N HA 0.350 5.085 4.740 -0.009 0.000 0.204 106 N C 1.001 176.315 175.510 -0.327 0.000 1.124 106 N CA 1.025 53.907 53.050 -0.280 0.000 0.838 106 N CB 0.233 38.583 38.487 -0.228 0.000 0.994 106 N HN 0.500 nan 8.380 nan 0.000 0.489 107 G N 0.184 108.656 108.800 -0.546 0.000 2.587 107 G HA2 -0.201 3.754 3.960 -0.009 0.000 0.212 107 G HA3 -0.201 3.754 3.960 -0.009 0.000 0.212 107 G C -2.831 171.467 174.900 -1.002 0.000 1.327 107 G CA -0.527 44.067 45.100 -0.844 0.000 0.898 107 G HN 0.171 nan 8.290 nan 0.000 0.551 108 P HA 0.516 nan 4.420 nan 0.000 0.277 108 P C -0.421 176.337 177.300 -0.904 0.000 1.240 108 P CA 0.340 62.930 63.100 -0.850 0.000 0.798 108 P CB 1.828 32.923 31.700 -1.008 0.000 0.979 109 S N -0.074 115.159 115.700 -0.779 0.000 2.537 109 S HA 0.342 4.807 4.470 -0.009 0.000 0.271 109 S C 1.019 175.668 174.600 0.082 0.000 1.148 109 S CA -0.161 57.861 58.200 -0.297 0.000 0.868 109 S CB 0.838 63.984 63.200 -0.090 0.000 1.115 109 S HN 0.461 nan 8.310 nan 0.000 0.461 110 S N 1.643 117.598 115.700 0.426 0.000 2.406 110 S HA 0.108 4.572 4.470 -0.009 0.000 0.224 110 S C 0.993 175.812 174.600 0.364 0.000 1.030 110 S CA 0.993 59.488 58.200 0.491 0.000 0.958 110 S CB -0.858 62.606 63.200 0.440 0.000 0.811 110 S HN 1.085 nan 8.310 nan 0.000 0.489 111 T N 0.328 115.008 114.554 0.209 0.000 2.922 111 T HA 0.435 4.779 4.350 -0.009 0.000 0.285 111 T C -0.445 174.161 174.700 -0.157 0.000 1.005 111 T CA -0.808 61.327 62.100 0.059 0.000 1.061 111 T CB 1.301 70.168 68.868 -0.002 0.000 1.007 111 T HN 0.367 nan 8.240 nan 0.000 0.502 112 E N 3.327 123.199 120.200 -0.547 0.000 2.351 112 E HA 0.179 4.523 4.350 -0.009 0.000 0.266 112 E C -1.769 174.485 176.600 -0.576 0.000 1.031 112 E CA -1.754 53.961 56.400 -1.143 0.000 0.911 112 E CB 0.402 29.159 29.700 -1.573 0.000 0.986 112 E HN 0.504 nan 8.360 nan 0.000 0.446 113 P HA 0.018 nan 4.420 nan 0.000 0.272 113 P C -0.778 176.356 177.300 -0.277 0.000 1.240 113 P CA 0.033 62.970 63.100 -0.270 0.000 0.791 113 P CB 0.497 32.076 31.700 -0.202 0.000 0.978 114 N N -0.577 117.989 118.700 -0.224 0.000 2.194 114 N HA 0.421 5.156 4.740 -0.009 0.000 0.231 114 N C -0.235 175.143 175.510 -0.221 0.000 1.247 114 N CA -0.691 52.236 53.050 -0.206 0.000 0.884 114 N CB 0.783 39.158 38.487 -0.186 0.000 1.146 114 N HN 0.426 nan 8.380 nan 0.000 0.516 115 A N 0.346 123.029 122.820 -0.229 0.000 2.609 115 A HA 0.529 4.844 4.320 -0.009 0.000 0.291 115 A C -1.156 176.265 177.584 -0.273 0.000 1.096 115 A CA -0.374 51.508 52.037 -0.258 0.000 0.684 115 A CB 0.983 19.849 19.000 -0.223 0.000 1.282 115 A HN 0.125 nan 8.150 nan 0.000 0.412 116 D N 0.477 120.693 120.400 -0.306 0.000 2.835 116 D HA -0.104 4.530 4.640 -0.009 0.000 0.230 116 D C -0.437 175.596 176.300 -0.444 0.000 1.130 116 D CA 1.588 55.391 54.000 -0.327 0.000 0.738 116 D CB -1.000 39.634 40.800 -0.278 0.000 1.090 116 D HN 0.591 nan 8.370 nan 0.000 0.433 117 D N -0.813 119.305 120.400 -0.469 0.000 2.358 117 D HA 0.241 4.875 4.640 -0.009 0.000 0.244 117 D C 1.053 176.971 176.300 -0.636 0.000 1.163 117 D CA -0.008 53.711 54.000 -0.468 0.000 0.945 117 D CB 0.288 40.925 40.800 -0.272 0.000 1.152 117 D HN -0.007 nan 8.370 nan 0.000 0.451 118 F N 0.154 119.789 119.950 -0.525 0.000 2.406 118 F HA 0.164 4.686 4.527 -0.009 0.000 0.327 118 F C 0.482 175.998 175.800 -0.472 0.000 1.153 118 F CA -0.099 57.574 58.000 -0.546 0.000 1.218 118 F CB 0.430 38.852 39.000 -0.964 0.000 1.215 118 F HN 0.166 nan 8.300 nan 0.000 0.570 119 Y N 1.786 122.171 120.300 0.141 0.000 2.387 119 Y HA 0.595 5.140 4.550 -0.009 0.000 0.336 119 Y C -0.086 175.954 175.900 0.232 0.000 1.067 119 Y CA -0.777 57.456 58.100 0.223 0.000 1.114 119 Y CB 1.309 39.912 38.460 0.239 0.000 1.208 119 Y HN 0.229 nan 8.280 nan 0.000 0.458 120 I N 4.984 125.757 120.570 0.339 0.000 2.476 120 I HA 0.338 4.503 4.170 -0.009 0.000 0.281 120 I C -1.133 175.079 176.117 0.158 0.000 1.040 120 I CA -0.297 61.141 61.300 0.230 0.000 1.094 120 I CB 1.166 39.258 38.000 0.153 0.000 1.219 120 I HN 0.499 nan 8.210 nan 0.000 0.450 121 I N 7.920 128.607 120.570 0.195 0.000 2.555 121 I HA 0.307 4.472 4.170 -0.009 0.000 0.275 121 I C -2.408 173.808 176.117 0.165 0.000 1.082 121 I CA -1.822 59.584 61.300 0.176 0.000 1.167 121 I CB 1.125 39.284 38.000 0.264 0.000 1.312 121 I HN 0.178 nan 8.210 nan 0.000 0.493 122 P HA 0.053 nan 4.420 nan 0.000 0.262 122 P C -0.004 177.355 177.300 0.098 0.000 1.182 122 P CA 0.612 63.755 63.100 0.070 0.000 0.761 122 P CB 0.218 31.934 31.700 0.027 0.000 0.795 123 N N -0.684 118.072 118.700 0.094 0.000 2.936 123 N HA -0.243 4.492 4.740 -0.009 0.000 0.236 123 N C -0.337 175.284 175.510 0.184 0.000 0.930 123 N CA 0.281 53.394 53.050 0.104 0.000 0.966 123 N CB -1.865 36.671 38.487 0.082 0.000 1.090 123 N HN 0.419 nan 8.380 nan 0.000 0.592 124 F N 1.874 121.834 119.950 0.017 0.000 2.424 124 F HA 0.420 4.942 4.527 -0.008 0.000 0.356 124 F C 0.297 176.102 175.800 0.008 0.000 1.110 124 F CA -0.576 57.435 58.000 0.018 0.000 1.161 124 F CB 0.585 39.596 39.000 0.019 0.000 1.115 124 F HN -0.150 nan 8.300 nan 0.000 0.507 125 K N 4.463 124.780 120.400 -0.138 0.000 2.427 125 K HA 0.404 4.719 4.320 -0.009 0.000 0.252 125 K C -1.100 175.272 176.600 -0.380 0.000 0.931 125 K CA -0.575 55.526 56.287 -0.308 0.000 0.793 125 K CB 1.865 34.306 32.500 -0.099 0.000 1.211 125 K HN 0.609 nan 8.250 nan 0.000 0.426 126 T N 1.031 115.319 114.554 -0.442 0.000 2.888 126 T HA 0.598 4.943 4.350 -0.009 0.000 0.284 126 T C -2.604 171.896 174.700 -0.334 0.000 1.017 126 T CA -2.523 59.363 62.100 -0.356 0.000 1.022 126 T CB 1.454 70.088 68.868 -0.390 0.000 1.013 126 T HN 0.341 nan 8.240 nan 0.000 0.465 127 P HA 0.114 nan 4.420 nan 0.000 0.260 127 P C 0.258 177.190 177.300 -0.612 0.000 1.185 127 P CA 0.075 62.825 63.100 -0.582 0.000 0.763 127 P CB 0.335 31.384 31.700 -1.085 0.000 0.776 128 D N 2.844 123.033 120.400 -0.352 0.000 2.219 128 D HA -0.126 4.509 4.640 -0.009 0.000 0.205 128 D C 1.717 177.888 176.300 -0.214 0.000 0.970 128 D CA 1.028 54.888 54.000 -0.232 0.000 0.851 128 D CB -0.226 40.518 40.800 -0.094 0.000 0.943 128 D HN 0.604 nan 8.370 nan 0.000 0.488 129 W N 0.672 121.839 121.300 -0.222 0.000 2.425 129 W HA -0.048 4.608 4.660 -0.007 0.000 0.277 129 W C 1.566 177.884 176.519 -0.336 0.000 1.231 129 W CA -0.083 57.059 57.345 -0.338 0.000 1.248 129 W CB -1.010 27.998 29.460 -0.753 0.000 1.117 129 W HN -0.062 nan 8.180 nan 0.000 0.568 130 L N 2.186 122.886 121.223 -0.871 0.000 2.072 130 L HA -0.033 4.301 4.340 -0.009 0.000 0.205 130 L C 2.601 179.254 176.870 -0.362 0.000 1.079 130 L CA 1.865 56.273 54.840 -0.722 0.000 0.752 130 L CB -0.769 40.662 42.059 -1.047 0.000 0.906 130 L HN -0.215 nan 8.230 nan 0.000 0.436 131 K N -0.445 119.749 120.400 -0.343 0.000 2.057 131 K HA -0.105 4.210 4.320 -0.009 0.000 0.207 131 K C 1.470 177.982 176.600 -0.147 0.000 1.049 131 K CA 1.548 57.697 56.287 -0.230 0.000 0.931 131 K CB -0.224 32.151 32.500 -0.208 0.000 0.714 131 K HN 0.422 nan 8.250 nan 0.000 0.440 132 N N 0.279 118.916 118.700 -0.105 0.000 2.280 132 N HA 0.012 4.747 4.740 -0.009 0.000 0.192 132 N C 0.637 176.148 175.510 0.002 0.000 1.109 132 N CA 0.195 53.221 53.050 -0.039 0.000 0.855 132 N CB 0.786 39.266 38.487 -0.011 0.000 0.974 132 N HN 0.120 nan 8.380 nan 0.000 0.482 133 G N 0.168 108.974 108.800 0.010 0.000 2.531 133 G HA2 0.501 4.456 3.960 -0.009 0.000 0.313 133 G HA3 0.501 4.456 3.960 -0.009 0.000 0.313 133 G C -0.668 174.260 174.900 0.047 0.000 1.238 133 G CA -0.226 44.915 45.100 0.069 0.000 0.994 133 G HN -0.072 nan 8.290 nan 0.000 0.493 134 V N 0.744 120.707 119.914 0.081 0.000 2.531 134 V HA 0.441 4.556 4.120 -0.009 0.000 0.301 134 V C -0.042 176.122 176.094 0.116 0.000 1.034 134 V CA -0.497 61.846 62.300 0.072 0.000 0.865 134 V CB 1.511 33.375 31.823 0.068 0.000 0.995 134 V HN 0.775 nan 8.190 nan 0.000 0.424 135 M N 4.680 124.348 119.600 0.114 0.000 2.367 135 M HA 0.555 5.030 4.480 -0.009 0.000 0.339 135 M C -1.796 174.631 176.300 0.211 0.000 1.177 135 M CA -0.635 54.761 55.300 0.160 0.000 1.068 135 M CB 1.526 34.202 32.600 0.127 0.000 1.602 135 M HN 0.743 nan 8.290 nan 0.000 0.457 136 Y N 3.397 123.742 120.300 0.074 0.000 2.332 136 Y HA 0.308 4.854 4.550 -0.007 0.000 0.326 136 Y C -0.858 175.061 175.900 0.031 0.000 0.978 136 Y CA -0.522 57.605 58.100 0.046 0.000 1.205 136 Y CB 1.226 39.678 38.460 -0.013 0.000 1.131 136 Y HN 0.633 nan 8.280 nan 0.000 0.462 137 Q N 6.427 126.105 119.800 -0.203 0.000 2.256 137 Q HA 0.567 4.902 4.340 -0.009 0.000 0.254 137 Q C -1.494 174.325 176.000 -0.302 0.000 0.916 137 Q CA -0.424 55.281 55.803 -0.163 0.000 0.932 137 Q CB 0.865 29.627 28.738 0.040 0.000 1.207 137 Q HN 0.812 nan 8.270 nan 0.000 0.426 138 I N 3.950 124.282 120.570 -0.395 0.000 2.465 138 I HA 0.268 4.432 4.170 -0.009 0.000 0.291 138 I C -1.027 174.814 176.117 -0.461 0.000 1.014 138 I CA -0.824 60.170 61.300 -0.510 0.000 1.093 138 I CB 1.502 39.126 38.000 -0.626 0.000 1.267 138 I HN 0.639 nan 8.210 nan 0.000 0.431 139 F N 9.208 128.763 119.950 -0.659 0.000 2.334 139 F HA 0.399 4.921 4.527 -0.009 0.000 0.365 139 F C -1.717 173.815 175.800 -0.447 0.000 1.124 139 F CA -2.038 55.708 58.000 -0.425 0.000 1.166 139 F CB 0.738 39.630 39.000 -0.180 0.000 1.355 139 F HN 0.321 nan 8.300 nan 0.000 0.532 140 P HA -0.347 nan 4.420 nan 0.000 0.222 140 P C 1.201 178.320 177.300 -0.302 0.000 1.147 140 P CA 2.249 64.984 63.100 -0.609 0.000 0.958 140 P CB 0.165 31.106 31.700 -1.265 0.000 0.788 141 D N -2.227 118.141 120.400 -0.053 0.000 2.309 141 D HA -0.150 4.485 4.640 -0.009 0.000 0.212 141 D C 1.366 177.874 176.300 0.346 0.000 0.968 141 D CA 0.802 54.995 54.000 0.322 0.000 0.882 141 D CB -0.024 41.080 40.800 0.507 0.000 0.918 141 D HN -0.016 nan 8.370 nan 0.000 0.503 142 R N -0.881 119.753 120.500 0.225 0.000 2.397 142 R HA 0.133 4.468 4.340 -0.009 0.000 0.241 142 R C 1.117 177.611 176.300 0.323 0.000 0.914 142 R CA -0.178 55.965 56.100 0.071 0.000 1.071 142 R CB -0.612 29.646 30.300 -0.069 0.000 1.116 142 R HN 0.327 nan 8.270 nan 0.000 0.524 143 F N -0.236 119.838 119.950 0.207 0.000 2.135 143 F HA 0.121 4.643 4.527 -0.010 0.000 0.280 143 F C 0.030 176.306 175.800 0.794 0.000 1.109 143 F CA 0.389 58.580 58.000 0.319 0.000 1.163 143 F CB 0.503 39.528 39.000 0.042 0.000 1.062 143 F HN -0.090 nan 8.300 nan 0.000 0.496 144 Y N 0.669 121.123 120.300 0.258 0.000 2.442 144 Y HA 0.252 4.797 4.550 -0.009 0.000 0.330 144 Y C -1.163 174.628 175.900 -0.181 0.000 1.100 144 Y CA -1.418 56.584 58.100 -0.164 0.000 1.034 144 Y CB 0.676 38.833 38.460 -0.505 0.000 1.285 144 Y HN -0.040 nan 8.280 nan 0.000 0.440 145 N N 3.473 121.589 118.700 -0.974 0.000 2.555 145 N HA 0.193 4.927 4.740 -0.009 0.000 0.244 145 N C 0.567 175.560 175.510 -0.861 0.000 1.114 145 N CA 0.612 53.267 53.050 -0.658 0.000 0.963 145 N CB 1.257 39.432 38.487 -0.520 0.000 1.276 145 N HN 0.990 nan 8.380 nan 0.000 0.510 146 G N 1.355 109.868 108.800 -0.478 0.000 2.777 146 G HA2 -0.072 3.882 3.960 -0.009 0.000 0.211 146 G HA3 -0.072 3.882 3.960 -0.009 0.000 0.211 146 G C -0.020 174.766 174.900 -0.190 0.000 1.149 146 G CA 0.052 44.970 45.100 -0.303 0.000 0.785 146 G HN 0.558 nan 8.290 nan 0.000 0.536 147 D N -0.402 119.903 120.400 -0.158 0.000 2.375 147 D HA 0.173 4.808 4.640 -0.009 0.000 0.241 147 D C 1.266 177.519 176.300 -0.079 0.000 1.361 147 D CA -0.225 53.719 54.000 -0.094 0.000 0.995 147 D CB 1.023 41.796 40.800 -0.044 0.000 1.312 147 D HN 0.004 nan 8.370 nan 0.000 0.576 148 S N 1.224 116.869 115.700 -0.091 0.000 2.555 148 S HA -0.118 4.347 4.470 -0.009 0.000 0.230 148 S C 1.710 176.289 174.600 -0.035 0.000 0.978 148 S CA 0.899 59.061 58.200 -0.063 0.000 0.934 148 S CB -0.189 62.966 63.200 -0.074 0.000 0.766 148 S HN 0.340 nan 8.310 nan 0.000 0.533 149 S N 2.857 118.538 115.700 -0.033 0.000 2.453 149 S HA -0.095 4.370 4.470 -0.009 0.000 0.231 149 S C 1.377 175.968 174.600 -0.015 0.000 1.005 149 S CA 0.777 58.963 58.200 -0.023 0.000 0.949 149 S CB -0.795 62.392 63.200 -0.022 0.000 0.774 149 S HN 0.796 nan 8.310 nan 0.000 0.510 150 N N 0.687 119.384 118.700 -0.005 0.000 2.230 150 N HA 0.158 4.893 4.740 -0.009 0.000 0.202 150 N C -1.056 174.457 175.510 0.005 0.000 1.119 150 N CA -0.273 52.779 53.050 0.003 0.000 0.851 150 N CB -0.496 38.006 38.487 0.025 0.000 0.990 150 N HN 0.133 nan 8.380 nan 0.000 0.497 151 D N 0.593 120.997 120.400 0.006 0.000 2.455 151 D HA 0.017 4.652 4.640 -0.009 0.000 0.241 151 D C -0.096 176.179 176.300 -0.042 0.000 1.138 151 D CA -0.037 53.971 54.000 0.014 0.000 0.877 151 D CB 1.301 42.113 40.800 0.021 0.000 1.187 151 D HN -0.110 nan 8.370 nan 0.000 0.451 152 V N 4.017 123.874 119.914 -0.095 0.000 2.508 152 V HA 0.033 4.148 4.120 -0.009 0.000 0.281 152 V C 0.608 176.603 176.094 -0.165 0.000 1.041 152 V CA -0.233 61.922 62.300 -0.242 0.000 1.016 152 V CB 0.882 32.296 31.823 -0.682 0.000 0.984 152 V HN 0.357 nan 8.190 nan 0.000 0.478 153 Q N 1.951 121.659 119.800 -0.152 0.000 2.204 153 Q HA 0.396 4.730 4.340 -0.009 0.000 0.254 153 Q C 0.022 175.936 176.000 -0.144 0.000 0.981 153 Q CA -0.560 55.175 55.803 -0.114 0.000 0.897 153 Q CB 1.247 29.940 28.738 -0.075 0.000 1.273 153 Q HN 0.680 nan 8.270 nan 0.000 0.464 154 T N 1.029 115.508 114.554 -0.125 0.000 2.829 154 T HA 0.295 4.640 4.350 -0.009 0.000 0.293 154 T C 0.991 175.650 174.700 -0.067 0.000 0.970 154 T CA 1.153 63.173 62.100 -0.134 0.000 1.168 154 T CB -0.166 68.609 68.868 -0.155 0.000 0.911 154 T HN 0.810 nan 8.240 nan 0.000 0.535 155 G N 3.054 111.821 108.800 -0.056 0.000 2.157 155 G HA2 -0.312 3.643 3.960 -0.009 0.000 0.248 155 G HA3 -0.312 3.643 3.960 -0.009 0.000 0.248 155 G C 1.349 176.212 174.900 -0.062 0.000 0.979 155 G CA 0.392 45.477 45.100 -0.026 0.000 0.650 155 G HN 0.670 nan 8.290 nan 0.000 0.529 156 S N -0.825 114.798 115.700 -0.129 0.000 2.383 156 S HA 0.166 4.631 4.470 -0.009 0.000 0.229 156 S C 0.740 175.371 174.600 0.052 0.000 1.030 156 S CA 1.996 60.157 58.200 -0.065 0.000 1.002 156 S CB -0.252 62.887 63.200 -0.101 0.000 0.829 156 S HN 1.601 nan 8.310 nan 0.000 0.467 157 Y N -1.468 118.799 120.300 -0.055 0.000 2.750 157 Y HA 0.593 5.137 4.550 -0.009 0.000 0.335 157 Y C -0.774 175.126 175.900 0.000 0.000 1.252 157 Y CA -1.333 56.743 58.100 -0.041 0.000 1.064 157 Y CB 0.680 39.097 38.460 -0.071 0.000 1.321 157 Y HN -0.067 nan 8.280 nan 0.000 0.451 158 T N -0.911 113.793 114.554 0.251 0.000 2.908 158 T HA 0.627 4.972 4.350 -0.009 0.000 0.290 158 T C -1.891 172.965 174.700 0.260 0.000 1.034 158 T CA -0.672 61.523 62.100 0.158 0.000 1.010 158 T CB 2.048 70.950 68.868 0.055 0.000 1.068 158 T HN 1.017 nan 8.240 nan 0.000 0.481 159 Y N 2.175 122.501 120.300 0.043 0.000 2.346 159 Y HA 0.428 4.973 4.550 -0.008 0.000 0.332 159 Y C 0.604 176.407 175.900 -0.161 0.000 0.985 159 Y CA -0.582 57.484 58.100 -0.056 0.000 1.112 159 Y CB 1.127 39.618 38.460 0.052 0.000 1.170 159 Y HN 1.116 nan 8.280 nan 0.000 0.447 160 N N 4.520 122.606 118.700 -1.024 0.000 2.727 160 N HA -0.252 4.483 4.740 -0.009 0.000 0.249 160 N C 0.866 176.171 175.510 -0.341 0.000 1.048 160 N CA 0.906 53.443 53.050 -0.854 0.000 0.714 160 N CB -0.972 36.954 38.487 -0.935 0.000 0.959 160 N HN 1.425 nan 8.380 nan 0.000 0.544 161 G N -1.975 106.691 108.800 -0.223 0.000 2.253 161 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.251 161 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.251 161 G C 0.166 175.029 174.900 -0.062 0.000 0.998 161 G CA 0.707 45.746 45.100 -0.100 0.000 0.621 161 G HN 0.487 nan 8.290 nan 0.000 0.524 162 T N 4.371 118.893 114.554 -0.053 0.000 2.799 162 T HA 0.581 4.926 4.350 -0.009 0.000 0.286 162 T C -2.122 172.607 174.700 0.049 0.000 0.973 162 T CA -0.702 61.398 62.100 -0.000 0.000 1.035 162 T CB 2.635 71.523 68.868 0.033 0.000 0.932 162 T HN 0.246 nan 8.240 nan 0.000 0.469 163 P HA 0.188 nan 4.420 nan 0.000 0.277 163 P C 0.032 177.418 177.300 0.143 0.000 1.240 163 P CA -0.469 62.678 63.100 0.079 0.000 0.798 163 P CB 0.433 32.200 31.700 0.112 0.000 0.979 164 T N -1.061 113.461 114.554 -0.052 0.000 2.860 164 T HA 0.266 4.610 4.350 -0.009 0.000 0.299 164 T C -0.129 174.544 174.700 -0.045 0.000 1.045 164 T CA -0.507 61.555 62.100 -0.062 0.000 1.071 164 T CB 0.839 69.442 68.868 -0.441 0.000 0.985 164 T HN 0.562 nan 8.240 nan 0.000 0.537 165 E N 0.578 120.734 120.200 -0.073 0.000 2.234 165 E HA 0.367 4.711 4.350 -0.009 0.000 0.266 165 E C -0.972 175.517 176.600 -0.185 0.000 0.877 165 E CA -0.933 55.245 56.400 -0.370 0.000 0.758 165 E CB 1.549 30.779 29.700 -0.783 0.000 1.170 165 E HN 0.713 nan 8.360 nan 0.000 0.415 166 K N 3.729 123.999 120.400 -0.216 0.000 2.130 166 K HA 0.350 4.664 4.320 -0.009 0.000 0.268 166 K C -0.993 175.449 176.600 -0.263 0.000 0.983 166 K CA -0.497 55.694 56.287 -0.159 0.000 0.893 166 K CB 0.920 33.356 32.500 -0.108 0.000 1.066 166 K HN 0.389 nan 8.250 nan 0.000 0.450 167 K N 2.008 122.171 120.400 -0.395 0.000 2.422 167 K HA 0.367 4.681 4.320 -0.009 0.000 0.251 167 K C -0.970 175.404 176.600 -0.376 0.000 0.933 167 K CA -0.980 55.017 56.287 -0.482 0.000 0.798 167 K CB 2.023 34.054 32.500 -0.781 0.000 1.238 167 K HN 0.733 nan 8.250 nan 0.000 0.428 168 A N 2.543 125.279 122.820 -0.140 0.000 2.531 168 A HA -0.067 4.248 4.320 -0.009 0.000 0.236 168 A C -0.222 177.488 177.584 0.211 0.000 1.062 168 A CA -0.142 51.928 52.037 0.054 0.000 0.760 168 A CB 0.062 19.104 19.000 0.069 0.000 0.995 168 A HN 0.766 nan 8.150 nan 0.000 0.501 169 W N 2.009 123.420 121.300 0.185 0.000 2.314 169 W HA 0.263 4.919 4.660 -0.007 0.000 0.339 169 W C 1.082 177.769 176.519 0.279 0.000 1.293 169 W CA 1.882 59.428 57.345 0.335 0.000 1.288 169 W CB 0.343 29.943 29.460 0.234 0.000 1.186 169 W HN 1.499 nan 8.180 nan 0.000 0.566 170 G N 2.668 111.411 108.800 -0.096 0.000 2.225 170 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.254 170 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.254 170 G C 0.319 175.260 174.900 0.069 0.000 0.988 170 G CA 0.458 45.542 45.100 -0.027 0.000 0.625 170 G HN 0.984 nan 8.290 nan 0.000 0.527 171 S N -0.153 115.665 115.700 0.197 0.000 2.645 171 S HA 0.674 5.139 4.470 -0.009 0.000 0.266 171 S C 0.713 175.435 174.600 0.202 0.000 1.258 171 S CA 0.727 59.023 58.200 0.160 0.000 0.990 171 S CB 1.587 64.847 63.200 0.100 0.000 0.967 171 S HN 1.603 nan 8.310 nan 0.000 0.556 172 S N -0.128 115.655 115.700 0.139 0.000 2.558 172 S HA 0.021 4.486 4.470 -0.009 0.000 0.291 172 S C 1.284 175.990 174.600 0.175 0.000 1.306 172 S CA -0.254 58.027 58.200 0.135 0.000 1.056 172 S CB -0.034 63.274 63.200 0.180 0.000 0.836 172 S HN 1.424 nan 8.310 nan 0.000 0.504 173 V N 3.901 123.829 119.914 0.024 0.000 3.041 173 V HA 0.181 4.296 4.120 -0.009 0.000 0.260 173 V C 0.522 176.580 176.094 -0.060 0.000 1.105 173 V CA 0.358 62.676 62.300 0.031 0.000 1.125 173 V CB -1.463 30.231 31.823 -0.215 0.000 0.730 173 V HN 0.794 nan 8.190 nan 0.000 0.479 174 Y N 1.992 122.339 120.300 0.080 0.000 2.544 174 Y HA 0.500 5.045 4.550 -0.008 0.000 0.330 174 Y C 1.216 177.148 175.900 0.055 0.000 1.136 174 Y CA 0.069 58.204 58.100 0.058 0.000 1.417 174 Y CB 0.110 38.597 38.460 0.045 0.000 1.229 174 Y HN 0.335 nan 8.280 nan 0.000 0.532 175 A N 4.263 127.211 122.820 0.213 0.000 2.483 175 A HA 0.045 4.360 4.320 -0.009 0.000 0.238 175 A C 0.155 177.853 177.584 0.191 0.000 1.070 175 A CA -0.609 51.530 52.037 0.169 0.000 0.770 175 A CB 0.078 19.197 19.000 0.197 0.000 1.008 175 A HN 0.759 nan 8.150 nan 0.000 0.497 176 D N 1.657 122.181 120.400 0.207 0.000 2.358 176 D HA 0.290 4.925 4.640 -0.009 0.000 0.244 176 D C -2.383 174.061 176.300 0.241 0.000 1.163 176 D CA -0.800 53.327 54.000 0.211 0.000 0.945 176 D CB 0.124 41.044 40.800 0.201 0.000 1.152 176 D HN 0.248 nan 8.370 nan 0.000 0.451 177 P HA 0.007 nan 4.420 nan 0.000 0.260 177 P C 0.713 177.982 177.300 -0.053 0.000 1.172 177 P CA 0.925 64.052 63.100 0.045 0.000 0.760 177 P CB 0.311 32.026 31.700 0.025 0.000 0.773 178 G N 1.082 109.803 108.800 -0.131 0.000 2.213 178 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.236 178 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.236 178 G C -0.197 174.390 174.900 -0.521 0.000 0.991 178 G CA -0.404 44.492 45.100 -0.341 0.000 0.629 178 G HN 0.470 nan 8.290 nan 0.000 0.517 179 Y N 0.152 120.466 120.300 0.022 0.000 2.631 179 Y HA 0.661 5.206 4.550 -0.008 0.000 0.328 179 Y C 0.197 176.123 175.900 0.044 0.000 1.118 179 Y CA -0.614 57.502 58.100 0.028 0.000 1.206 179 Y CB 1.426 39.900 38.460 0.024 0.000 1.337 179 Y HN 0.113 nan 8.280 nan 0.000 0.515 180 D N -0.644 119.898 120.400 0.236 0.000 2.350 180 D HA 0.276 4.911 4.640 -0.009 0.000 0.245 180 D C 0.215 176.602 176.300 0.145 0.000 1.036 180 D CA -0.406 53.692 54.000 0.163 0.000 0.848 180 D CB 1.010 41.902 40.800 0.153 0.000 1.307 180 D HN 0.376 nan 8.370 nan 0.000 0.469 181 N N 0.745 119.523 118.700 0.131 0.000 2.205 181 N HA -0.124 4.611 4.740 -0.009 0.000 0.186 181 N C 1.044 176.598 175.510 0.072 0.000 1.015 181 N CA 0.774 53.887 53.050 0.105 0.000 0.862 181 N CB -0.011 38.548 38.487 0.120 0.000 0.986 181 N HN 0.248 nan 8.380 nan 0.000 0.429 182 S N -0.033 115.728 115.700 0.102 0.000 2.603 182 S HA 0.207 4.672 4.470 -0.009 0.000 0.220 182 S C 1.099 175.692 174.600 -0.013 0.000 0.967 182 S CA 0.135 58.397 58.200 0.103 0.000 0.920 182 S CB 0.273 63.591 63.200 0.196 0.000 0.773 182 S HN 0.248 nan 8.310 nan 0.000 0.529 183 L N 1.452 122.684 121.223 0.015 0.000 3.218 183 L HA 0.366 4.700 4.340 -0.009 0.000 0.279 183 L C -0.851 176.025 176.870 0.010 0.000 1.287 183 L CA -0.121 54.763 54.840 0.073 0.000 1.024 183 L CB 0.898 43.093 42.059 0.227 0.000 1.409 183 L HN 0.008 nan 8.230 nan 0.000 0.580 184 V N 0.566 120.335 119.914 -0.242 0.000 2.370 184 V HA 0.428 4.543 4.120 -0.009 0.000 0.283 184 V C -0.534 175.359 176.094 -0.334 0.000 1.023 184 V CA -0.205 62.003 62.300 -0.155 0.000 0.857 184 V CB 1.487 33.275 31.823 -0.059 0.000 0.985 184 V HN 0.055 nan 8.190 nan 0.000 0.443 185 F N 4.135 124.070 119.950 -0.025 0.000 2.507 185 F HA 0.560 5.082 4.527 -0.009 0.000 0.325 185 F C 0.290 176.099 175.800 0.015 0.000 1.116 185 F CA -0.713 57.346 58.000 0.098 0.000 0.930 185 F CB 1.661 40.701 39.000 0.067 0.000 1.146 185 F HN 0.336 nan 8.300 nan 0.000 0.447 186 F N 0.725 120.834 119.950 0.265 0.000 2.656 186 F HA 0.317 4.838 4.527 -0.009 0.000 0.291 186 F C 1.824 177.883 175.800 0.432 0.000 1.122 186 F CA 0.632 58.790 58.000 0.264 0.000 1.427 186 F CB 0.243 39.274 39.000 0.051 0.000 1.125 186 F HN 0.710 nan 8.300 nan 0.000 0.583 187 G N -0.311 108.832 108.800 0.572 0.000 2.211 187 G HA2 -0.150 3.805 3.960 -0.009 0.000 0.201 187 G HA3 -0.150 3.805 3.960 -0.009 0.000 0.201 187 G C 0.755 175.865 174.900 0.350 0.000 0.997 187 G CA -0.411 44.929 45.100 0.400 0.000 0.652 187 G HN 0.646 nan 8.290 nan 0.000 0.500 188 G N 0.712 109.804 108.800 0.487 0.000 2.414 188 G HA2 0.515 4.470 3.960 -0.009 0.000 0.236 188 G HA3 0.515 4.470 3.960 -0.009 0.000 0.236 188 G C 0.035 175.012 174.900 0.128 0.000 1.293 188 G CA 1.135 46.417 45.100 0.304 0.000 0.869 188 G HN 1.029 nan 8.290 nan 0.000 0.556 189 D N 0.139 120.547 120.400 0.014 0.000 2.752 189 D HA 0.220 4.855 4.640 -0.009 0.000 0.313 189 D C 1.217 177.469 176.300 -0.080 0.000 1.225 189 D CA -0.929 53.050 54.000 -0.036 0.000 0.976 189 D CB 0.400 41.258 40.800 0.095 0.000 1.443 189 D HN 0.174 nan 8.370 nan 0.000 0.515 190 L N -0.224 120.968 121.223 -0.051 0.000 2.141 190 L HA 0.007 4.342 4.340 -0.009 0.000 0.209 190 L C 2.385 179.256 176.870 0.002 0.000 1.094 190 L CA 1.497 56.313 54.840 -0.039 0.000 0.763 190 L CB -0.657 41.400 42.059 -0.003 0.000 0.908 190 L HN 0.624 nan 8.230 nan 0.000 0.437 191 A N 0.619 123.446 122.820 0.011 0.000 1.933 191 A HA -0.106 4.209 4.320 -0.009 0.000 0.218 191 A C 2.416 180.017 177.584 0.028 0.000 1.175 191 A CA 1.679 53.720 52.037 0.007 0.000 0.628 191 A CB -1.119 17.877 19.000 -0.008 0.000 0.814 191 A HN 0.424 nan 8.150 nan 0.000 0.444 192 G N 0.159 108.984 108.800 0.041 0.000 2.421 192 G HA2 -0.199 3.756 3.960 -0.009 0.000 0.216 192 G HA3 -0.199 3.756 3.960 -0.009 0.000 0.216 192 G C 1.526 176.554 174.900 0.214 0.000 1.171 192 G CA 1.126 46.327 45.100 0.169 0.000 0.775 192 G HN 0.477 nan 8.290 nan 0.000 0.543 193 I N 0.898 121.593 120.570 0.208 0.000 2.208 193 I HA -0.186 3.979 4.170 -0.009 0.000 0.245 193 I C 2.441 178.632 176.117 0.124 0.000 1.097 193 I CA 1.684 63.138 61.300 0.258 0.000 1.363 193 I CB -0.291 37.768 38.000 0.098 0.000 1.051 193 I HN 0.190 nan 8.210 nan 0.000 0.413 194 D N 0.737 121.166 120.400 0.049 0.000 2.092 194 D HA -0.245 4.389 4.640 -0.009 0.000 0.193 194 D C 2.191 178.483 176.300 -0.013 0.000 0.994 194 D CA 1.561 55.564 54.000 0.005 0.000 0.828 194 D CB -0.010 40.785 40.800 -0.008 0.000 0.963 194 D HN 0.328 nan 8.370 nan 0.000 0.450 195 Q N -0.968 118.820 119.800 -0.020 0.000 2.364 195 Q HA -0.054 4.281 4.340 -0.009 0.000 0.207 195 Q C 1.020 176.916 176.000 -0.174 0.000 0.970 195 Q CA 0.719 56.472 55.803 -0.084 0.000 0.888 195 Q CB 0.235 28.937 28.738 -0.061 0.000 0.951 195 Q HN 0.126 nan 8.270 nan 0.000 0.469 196 K N 0.236 120.554 120.400 -0.136 0.000 2.399 196 K HA 0.162 4.477 4.320 -0.009 0.000 0.204 196 K C 1.332 177.972 176.600 0.067 0.000 1.023 196 K CA 0.017 56.224 56.287 -0.133 0.000 1.127 196 K CB 0.497 32.880 32.500 -0.195 0.000 0.856 196 K HN 0.231 nan 8.250 nan 0.000 0.514 197 L N -0.170 121.065 121.223 0.020 0.000 2.131 197 L HA -0.129 4.206 4.340 -0.009 0.000 0.210 197 L C 2.183 179.045 176.870 -0.013 0.000 1.092 197 L CA 1.495 56.338 54.840 0.004 0.000 0.759 197 L CB -0.595 41.448 42.059 -0.026 0.000 0.903 197 L HN 0.261 nan 8.230 nan 0.000 0.435 198 G N -0.777 108.017 108.800 -0.010 0.000 2.418 198 G HA2 -0.355 3.600 3.960 -0.009 0.000 0.217 198 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.217 198 G C 1.452 176.367 174.900 0.025 0.000 1.158 198 G CA 0.760 45.855 45.100 -0.008 0.000 0.771 198 G HN 0.356 nan 8.290 nan 0.000 0.545 199 Y N 1.437 121.715 120.300 -0.036 0.000 2.145 199 Y HA -0.079 4.465 4.550 -0.010 0.000 0.286 199 Y C 2.530 178.413 175.900 -0.029 0.000 1.145 199 Y CA 1.358 59.468 58.100 0.016 0.000 1.148 199 Y CB -0.299 38.239 38.460 0.130 0.000 0.981 199 Y HN 0.202 nan 8.280 nan 0.000 0.507 200 I N 0.192 120.601 120.570 -0.268 0.000 2.142 200 I HA -0.301 3.864 4.170 -0.009 0.000 0.240 200 I C 2.198 178.128 176.117 -0.313 0.000 1.078 200 I CA 1.890 62.905 61.300 -0.475 0.000 1.343 200 I CB -0.390 37.413 38.000 -0.329 0.000 1.046 200 I HN 0.106 nan 8.210 nan 0.000 0.405 201 K N 0.218 120.517 120.400 -0.169 0.000 2.305 201 K HA -0.011 4.304 4.320 -0.009 0.000 0.199 201 K C 1.890 178.436 176.600 -0.091 0.000 1.047 201 K CA 0.755 56.977 56.287 -0.107 0.000 0.976 201 K CB 0.219 32.677 32.500 -0.070 0.000 0.765 201 K HN 0.260 nan 8.250 nan 0.000 0.474 202 K N -0.759 119.584 120.400 -0.095 0.000 2.312 202 K HA 0.104 4.418 4.320 -0.009 0.000 0.206 202 K C 1.994 178.553 176.600 -0.068 0.000 1.121 202 K CA 0.658 56.907 56.287 -0.062 0.000 0.923 202 K CB 0.247 32.727 32.500 -0.033 0.000 1.162 202 K HN -0.114 nan 8.250 nan 0.000 0.478 203 T N 2.430 116.936 114.554 -0.081 0.000 2.746 203 T HA -0.069 4.276 4.350 -0.009 0.000 0.267 203 T C 1.852 176.477 174.700 -0.126 0.000 1.039 203 T CA 1.169 63.238 62.100 -0.052 0.000 1.142 203 T CB -0.051 68.862 68.868 0.076 0.000 0.866 203 T HN 0.043 nan 8.240 nan 0.000 0.444 204 L N -0.739 120.316 121.223 -0.281 0.000 2.185 204 L HA 0.339 4.674 4.340 -0.009 0.000 0.198 204 L C 2.235 179.036 176.870 -0.114 0.000 1.079 204 L CA 0.882 55.593 54.840 -0.215 0.000 0.780 204 L CB -0.273 41.572 42.059 -0.356 0.000 0.955 204 L HN 0.518 nan 8.230 nan 0.000 0.462 205 G N -0.326 108.397 108.800 -0.127 0.000 2.192 205 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.193 205 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.193 205 G C 0.314 175.195 174.900 -0.032 0.000 0.999 205 G CA -0.151 44.913 45.100 -0.060 0.000 0.659 205 G HN 0.483 nan 8.290 nan 0.000 0.503 206 A N 0.443 123.235 122.820 -0.048 0.000 2.462 206 A HA 0.614 4.928 4.320 -0.009 0.000 0.243 206 A C 0.972 178.572 177.584 0.027 0.000 1.076 206 A CA 0.837 52.885 52.037 0.018 0.000 0.773 206 A CB 0.016 19.047 19.000 0.053 0.000 1.010 206 A HN 1.161 nan 8.150 nan 0.000 0.493 207 N N 0.619 119.374 118.700 0.091 0.000 2.177 207 N HA 0.306 5.040 4.740 -0.009 0.000 0.218 207 N C -0.702 174.931 175.510 0.205 0.000 1.182 207 N CA -0.272 52.852 53.050 0.122 0.000 0.882 207 N CB 0.319 38.904 38.487 0.165 0.000 1.052 207 N HN 0.502 nan 8.380 nan 0.000 0.519 208 I N 1.266 121.956 120.570 0.199 0.000 2.466 208 I HA 0.342 4.506 4.170 -0.009 0.000 0.289 208 I C -1.292 174.936 176.117 0.185 0.000 1.026 208 I CA -1.017 60.425 61.300 0.236 0.000 1.078 208 I CB 2.056 40.233 38.000 0.295 0.000 1.249 208 I HN -0.059 nan 8.210 nan 0.000 0.429 209 L N 6.768 128.077 121.223 0.144 0.000 2.322 209 L HA 0.424 4.759 4.340 -0.009 0.000 0.281 209 L C -0.886 176.067 176.870 0.138 0.000 1.014 209 L CA -0.549 54.356 54.840 0.110 0.000 0.815 209 L CB 1.193 43.263 42.059 0.018 0.000 1.247 209 L HN 0.384 nan 8.230 nan 0.000 0.421 210 Y N 4.481 124.765 120.300 -0.026 0.000 2.326 210 Y HA 0.685 5.229 4.550 -0.009 0.000 0.331 210 Y C -1.492 174.328 175.900 -0.133 0.000 0.962 210 Y CA -1.441 56.619 58.100 -0.067 0.000 1.167 210 Y CB 0.892 39.325 38.460 -0.046 0.000 1.148 210 Y HN 0.422 nan 8.280 nan 0.000 0.463 211 L N 5.760 126.778 121.223 -0.343 0.000 2.331 211 L HA 0.484 4.819 4.340 -0.009 0.000 0.275 211 L C -0.014 176.446 176.870 -0.682 0.000 1.022 211 L CA -0.953 53.555 54.840 -0.552 0.000 0.812 211 L CB 1.580 43.404 42.059 -0.391 0.000 1.257 211 L HN 0.663 nan 8.230 nan 0.000 0.435 212 N N 1.587 119.854 118.700 -0.723 0.000 2.347 212 N HA 0.218 4.953 4.740 -0.009 0.000 0.253 212 N C -2.512 172.655 175.510 -0.571 0.000 1.274 212 N CA -0.915 51.748 53.050 -0.644 0.000 0.941 212 N CB 0.127 38.184 38.487 -0.717 0.000 1.200 212 N HN 0.370 nan 8.380 nan 0.000 0.514 213 P HA -0.104 nan 4.420 nan 0.000 0.261 213 P C -0.097 176.973 177.300 -0.383 0.000 1.158 213 P CA 0.879 63.640 63.100 -0.565 0.000 0.758 213 P CB 0.118 31.402 31.700 -0.692 0.000 0.763 214 I N -1.660 118.616 120.570 -0.490 0.000 4.338 214 I HA 0.307 4.472 4.170 -0.009 0.000 0.329 214 I C -0.323 175.685 176.117 -0.182 0.000 1.378 214 I CA -0.236 60.961 61.300 -0.171 0.000 1.170 214 I CB 0.126 37.980 38.000 -0.242 0.000 1.206 214 I HN -0.087 nan 8.210 nan 0.000 0.432 215 F N 2.150 122.049 119.950 -0.084 0.000 2.370 215 F HA 0.513 5.034 4.527 -0.009 0.000 0.324 215 F C 0.939 176.624 175.800 -0.191 0.000 1.116 215 F CA -1.167 56.766 58.000 -0.112 0.000 1.123 215 F CB 0.309 39.254 39.000 -0.092 0.000 1.238 215 F HN -0.172 nan 8.300 nan 0.000 0.536 216 K N 1.767 122.184 120.400 0.028 0.000 2.511 216 K HA 0.375 4.690 4.320 -0.009 0.000 0.277 216 K C -0.914 175.583 176.600 -0.171 0.000 1.025 216 K CA 0.494 56.709 56.287 -0.120 0.000 1.112 216 K CB -0.557 31.871 32.500 -0.121 0.000 0.859 216 K HN 0.794 nan 8.250 nan 0.000 0.485 217 A N 6.108 128.802 122.820 -0.211 0.000 2.582 217 A HA 0.410 4.724 4.320 -0.009 0.000 0.297 217 A C -2.365 175.085 177.584 -0.223 0.000 1.059 217 A CA -0.914 50.995 52.037 -0.214 0.000 0.705 217 A CB 1.383 20.259 19.000 -0.207 0.000 1.279 217 A HN 0.553 nan 8.150 nan 0.000 0.404 218 P HA -0.048 nan 4.420 nan 0.000 0.219 218 P C 0.995 178.315 177.300 0.034 0.000 1.150 218 P CA 1.865 64.869 63.100 -0.160 0.000 0.814 218 P CB -0.264 31.238 31.700 -0.330 0.000 0.787 219 T N -1.423 113.007 114.554 -0.206 0.000 2.732 219 T HA 0.099 4.444 4.350 -0.009 0.000 0.287 219 T C 1.365 175.984 174.700 -0.134 0.000 0.993 219 T CA -0.274 61.705 62.100 -0.202 0.000 0.966 219 T CB 0.016 68.527 68.868 -0.596 0.000 1.047 219 T HN 0.203 nan 8.240 nan 0.000 0.527 220 N N -0.181 118.323 118.700 -0.327 0.000 2.424 220 N HA -0.116 4.619 4.740 -0.009 0.000 0.178 220 N C 1.741 177.245 175.510 -0.010 0.000 1.060 220 N CA 0.343 53.201 53.050 -0.321 0.000 0.901 220 N CB -0.390 37.736 38.487 -0.601 0.000 0.979 220 N HN 0.866 nan 8.380 nan 0.000 0.451 221 H N 0.677 119.813 119.070 0.111 0.000 2.486 221 H HA 0.221 4.772 4.556 -0.009 0.000 0.287 221 H C 0.008 175.287 175.328 -0.082 0.000 1.010 221 H CA 0.296 56.428 56.048 0.139 0.000 1.324 221 H CB 0.053 30.091 29.762 0.461 0.000 1.446 221 H HN -0.001 nan 8.280 nan 0.000 0.537 222 K N -0.084 120.082 120.400 -0.390 0.000 3.129 222 K HA -0.227 4.088 4.320 -0.009 0.000 0.273 222 K C -0.552 175.973 176.600 -0.124 0.000 1.123 222 K CA 0.739 56.861 56.287 -0.274 0.000 0.800 222 K CB -2.150 30.194 32.500 -0.260 0.000 1.238 222 K HN 0.398 nan 8.250 nan 0.000 0.492 223 Y N 1.052 121.520 120.300 0.281 0.000 2.490 223 Y HA -0.022 4.523 4.550 -0.008 0.000 0.281 223 Y C 1.219 177.253 175.900 0.223 0.000 1.174 223 Y CA 0.495 58.747 58.100 0.253 0.000 1.295 223 Y CB 0.365 38.991 38.460 0.277 0.000 1.062 223 Y HN 0.209 nan 8.280 nan 0.000 0.522 224 D N -0.369 120.172 120.400 0.236 0.000 2.973 224 D HA 0.048 4.683 4.640 -0.009 0.000 0.263 224 D C -0.280 176.033 176.300 0.023 0.000 1.266 224 D CA -0.238 53.859 54.000 0.162 0.000 0.975 224 D CB -0.369 40.489 40.800 0.097 0.000 1.032 224 D HN -0.089 nan 8.370 nan 0.000 0.510 225 T N 0.793 115.339 114.554 -0.012 0.000 2.891 225 T HA -0.104 4.241 4.350 -0.009 0.000 0.296 225 T C 0.985 175.595 174.700 -0.150 0.000 1.025 225 T CA 0.443 62.421 62.100 -0.204 0.000 1.149 225 T CB 1.767 70.282 68.868 -0.589 0.000 1.007 225 T HN 0.404 nan 8.240 nan 0.000 0.528 226 Q N 0.986 120.644 119.800 -0.236 0.000 2.423 226 Q HA 0.077 4.412 4.340 -0.009 0.000 0.231 226 Q C -0.230 175.380 176.000 -0.650 0.000 0.894 226 Q CA 0.262 55.883 55.803 -0.304 0.000 0.938 226 Q CB 0.760 29.391 28.738 -0.178 0.000 1.079 226 Q HN 0.648 nan 8.270 nan 0.000 0.552 227 D N -0.957 119.161 120.400 -0.471 0.000 2.354 227 D HA 0.088 4.723 4.640 -0.009 0.000 0.230 227 D C -0.605 175.541 176.300 -0.256 0.000 1.361 227 D CA -0.370 53.376 54.000 -0.424 0.000 0.992 227 D CB 0.275 40.894 40.800 -0.302 0.000 1.409 227 D HN 0.062 nan 8.370 nan 0.000 0.573 228 Y N 1.814 122.017 120.300 -0.162 0.000 2.403 228 Y HA -0.086 4.458 4.550 -0.009 0.000 0.291 228 Y C 2.175 177.798 175.900 -0.461 0.000 1.143 228 Y CA 0.736 58.656 58.100 -0.300 0.000 1.257 228 Y CB 0.018 38.410 38.460 -0.113 0.000 0.984 228 Y HN 0.402 nan 8.280 nan 0.000 0.550 229 M N -0.637 118.930 119.600 -0.055 0.000 2.595 229 M HA 0.203 4.677 4.480 -0.009 0.000 0.248 229 M C 0.457 176.773 176.300 0.028 0.000 1.119 229 M CA 0.226 55.513 55.300 -0.021 0.000 1.079 229 M CB -0.959 31.642 32.600 0.001 0.000 1.472 229 M HN 0.088 nan 8.290 nan 0.000 0.501 230 A N 0.428 123.258 122.820 0.017 0.000 2.356 230 A HA 0.614 4.929 4.320 -0.009 0.000 0.310 230 A C -0.243 177.459 177.584 0.197 0.000 1.075 230 A CA -0.654 51.442 52.037 0.099 0.000 0.746 230 A CB 1.352 20.373 19.000 0.035 0.000 1.221 230 A HN -0.022 nan 8.150 nan 0.000 0.443 231 V N 2.608 122.672 119.914 0.251 0.000 2.740 231 V HA 0.012 4.127 4.120 -0.009 0.000 0.303 231 V C 0.781 176.935 176.094 0.101 0.000 1.054 231 V CA -0.088 62.364 62.300 0.254 0.000 1.106 231 V CB 0.966 32.923 31.823 0.224 0.000 0.957 231 V HN 0.937 nan 8.190 nan 0.000 0.486 232 D N 5.599 125.999 120.400 0.000 0.000 2.425 232 D HA 0.065 4.700 4.640 -0.009 0.000 0.247 232 D C -1.598 174.618 176.300 -0.141 0.000 1.147 232 D CA -1.327 52.568 54.000 -0.176 0.000 0.879 232 D CB 1.860 42.382 40.800 -0.464 0.000 1.179 232 D HN 0.246 nan 8.370 nan 0.000 0.456 233 P HA -0.189 nan 4.420 nan 0.000 0.217 233 P C 0.894 178.158 177.300 -0.059 0.000 1.148 233 P CA 1.710 64.767 63.100 -0.071 0.000 0.834 233 P CB 0.160 31.804 31.700 -0.093 0.000 0.783 234 A N -1.814 120.919 122.820 -0.145 0.000 1.972 234 A HA -0.140 4.175 4.320 -0.009 0.000 0.219 234 A C 1.952 179.646 177.584 0.184 0.000 1.169 234 A CA 1.278 53.276 52.037 -0.066 0.000 0.635 234 A CB -1.587 17.297 19.000 -0.193 0.000 0.810 234 A HN 0.217 nan 8.150 nan 0.000 0.446 235 F N -1.213 118.741 119.950 0.007 0.000 2.698 235 F HA 0.350 4.872 4.527 -0.008 0.000 0.295 235 F C 1.570 177.372 175.800 0.004 0.000 1.124 235 F CA 0.050 58.052 58.000 0.003 0.000 1.426 235 F CB 0.323 39.307 39.000 -0.027 0.000 1.120 235 F HN 0.509 nan 8.300 nan 0.000 0.583 236 G N 0.728 109.636 108.800 0.179 0.000 2.270 236 G HA2 0.011 3.965 3.960 -0.009 0.000 0.268 236 G HA3 0.011 3.965 3.960 -0.009 0.000 0.268 236 G C -2.196 172.763 174.900 0.098 0.000 1.312 236 G CA -0.440 44.727 45.100 0.112 0.000 1.050 236 G HN 0.124 nan 8.290 nan 0.000 0.474 237 D N -1.220 119.238 120.400 0.097 0.000 2.497 237 D HA 0.534 5.168 4.640 -0.009 0.000 0.243 237 D C 0.822 177.214 176.300 0.153 0.000 1.039 237 D CA -0.794 53.269 54.000 0.106 0.000 1.052 237 D CB 0.411 41.258 40.800 0.077 0.000 1.344 237 D HN 0.217 nan 8.370 nan 0.000 0.553 238 N N -0.568 118.247 118.700 0.192 0.000 2.272 238 N HA -0.160 4.574 4.740 -0.009 0.000 0.185 238 N C 1.462 177.128 175.510 0.260 0.000 1.014 238 N CA 1.342 54.573 53.050 0.302 0.000 0.870 238 N CB -0.172 38.529 38.487 0.357 0.000 0.975 238 N HN 0.400 nan 8.380 nan 0.000 0.433 239 S N -0.726 115.062 115.700 0.147 0.000 2.383 239 S HA -0.080 4.385 4.470 -0.009 0.000 0.227 239 S C 1.718 176.364 174.600 0.077 0.000 1.026 239 S CA 1.458 59.707 58.200 0.082 0.000 0.981 239 S CB -0.434 62.795 63.200 0.049 0.000 0.818 239 S HN 0.371 nan 8.310 nan 0.000 0.472 240 T N 2.732 117.339 114.554 0.088 0.000 2.746 240 T HA -0.074 4.271 4.350 -0.009 0.000 0.267 240 T C 1.682 176.428 174.700 0.078 0.000 1.039 240 T CA 1.393 63.533 62.100 0.068 0.000 1.142 240 T CB -0.502 68.408 68.868 0.070 0.000 0.866 240 T HN 0.328 nan 8.240 nan 0.000 0.444 241 L N 1.221 122.526 121.223 0.136 0.000 2.046 241 L HA -0.072 4.263 4.340 -0.009 0.000 0.208 241 L C 2.429 179.387 176.870 0.147 0.000 1.077 241 L CA 1.718 56.652 54.840 0.156 0.000 0.747 241 L CB -0.793 41.428 42.059 0.269 0.000 0.896 241 L HN 0.233 nan 8.230 nan 0.000 0.432 242 Q N -1.241 118.650 119.800 0.152 0.000 2.096 242 Q HA -0.190 4.145 4.340 -0.009 0.000 0.204 242 Q C 1.981 177.976 176.000 -0.008 0.000 0.982 242 Q CA 2.273 58.100 55.803 0.040 0.000 0.850 242 Q CB -0.306 28.393 28.738 -0.065 0.000 0.901 242 Q HN 0.553 nan 8.270 nan 0.000 0.422 243 T N 1.347 115.901 114.554 -0.001 0.000 2.777 243 T HA -0.121 4.224 4.350 -0.009 0.000 0.266 243 T C 1.737 176.414 174.700 -0.039 0.000 1.040 243 T CA 0.945 63.032 62.100 -0.021 0.000 1.141 243 T CB -0.258 68.603 68.868 -0.011 0.000 0.868 243 T HN 0.144 nan 8.240 nan 0.000 0.444 244 L N 1.285 122.490 121.223 -0.029 0.000 2.042 244 L HA -0.007 4.327 4.340 -0.009 0.000 0.210 244 L C 2.113 178.914 176.870 -0.113 0.000 1.076 244 L CA 1.585 56.393 54.840 -0.055 0.000 0.749 244 L CB -0.705 41.330 42.059 -0.040 0.000 0.893 244 L HN 0.276 nan 8.230 nan 0.000 0.432 245 I N -0.098 120.395 120.570 -0.129 0.000 2.179 245 I HA -0.316 3.849 4.170 -0.009 0.000 0.242 245 I C 2.464 178.361 176.117 -0.366 0.000 1.088 245 I CA 1.654 62.781 61.300 -0.289 0.000 1.357 245 I CB -0.704 37.175 38.000 -0.202 0.000 1.051 245 I HN 0.514 nan 8.210 nan 0.000 0.409 246 N N 1.176 119.770 118.700 -0.176 0.000 2.120 246 N HA -0.223 4.511 4.740 -0.009 0.000 0.188 246 N C 1.340 176.795 175.510 -0.091 0.000 1.024 246 N CA 1.902 54.892 53.050 -0.101 0.000 0.852 246 N CB -0.128 38.328 38.487 -0.052 0.000 1.003 246 N HN 0.273 nan 8.380 nan 0.000 0.424 247 D N 0.597 120.939 120.400 -0.095 0.000 2.224 247 D HA 0.002 4.637 4.640 -0.009 0.000 0.205 247 D C 2.047 178.290 176.300 -0.094 0.000 0.965 247 D CA 0.344 54.297 54.000 -0.077 0.000 0.852 247 D CB -0.041 40.721 40.800 -0.063 0.000 0.947 247 D HN 0.425 nan 8.370 nan 0.000 0.494 248 I N 0.119 120.600 120.570 -0.147 0.000 2.233 248 I HA -0.215 3.950 4.170 -0.009 0.000 0.243 248 I C 2.001 178.046 176.117 -0.120 0.000 1.093 248 I CA 1.037 62.245 61.300 -0.154 0.000 1.380 248 I CB -0.226 37.644 38.000 -0.217 0.000 1.067 248 I HN 0.106 nan 8.210 nan 0.000 0.413 249 H N -0.652 118.307 119.070 -0.186 0.000 2.491 249 H HA -0.029 4.521 4.556 -0.010 0.000 0.290 249 H C 1.637 176.847 175.328 -0.197 0.000 1.050 249 H CA 0.126 56.026 56.048 -0.246 0.000 1.309 249 H CB 0.145 29.784 29.762 -0.205 0.000 1.392 249 H HN 0.201 nan 8.280 nan 0.000 0.554 250 S N 0.594 116.282 115.700 -0.020 0.000 2.584 250 S HA -0.024 4.441 4.470 -0.009 0.000 0.270 250 S C 1.481 176.044 174.600 -0.062 0.000 1.346 250 S CA 0.138 58.312 58.200 -0.044 0.000 1.018 250 S CB 0.835 64.010 63.200 -0.041 0.000 0.899 250 S HN 0.446 nan 8.310 nan 0.000 0.542 251 T N 0.460 114.980 114.554 -0.056 0.000 3.085 251 T HA 0.433 4.778 4.350 -0.009 0.000 0.264 251 T C 1.256 175.930 174.700 -0.043 0.000 1.019 251 T CA 0.186 62.254 62.100 -0.053 0.000 0.910 251 T CB 0.067 68.904 68.868 -0.052 0.000 1.059 251 T HN 0.630 nan 8.240 nan 0.000 0.542 252 A N 2.999 125.794 122.820 -0.041 0.000 2.119 252 A HA 0.091 4.405 4.320 -0.009 0.000 0.216 252 A C 1.858 179.420 177.584 -0.036 0.000 1.152 252 A CA 0.857 52.872 52.037 -0.036 0.000 0.708 252 A CB -0.656 18.324 19.000 -0.034 0.000 0.805 252 A HN 0.848 nan 8.150 nan 0.000 0.460 253 N N -2.050 116.626 118.700 -0.041 0.000 2.200 253 N HA 0.428 5.163 4.740 -0.009 0.000 0.224 253 N C 0.509 175.994 175.510 -0.041 0.000 1.179 253 N CA 0.279 53.305 53.050 -0.040 0.000 0.877 253 N CB 0.778 39.239 38.487 -0.043 0.000 1.072 253 N HN 0.416 nan 8.380 nan 0.000 0.519 254 G N 1.380 110.155 108.800 -0.041 0.000 2.357 254 G HA2 0.003 3.958 3.960 -0.009 0.000 0.289 254 G HA3 0.003 3.958 3.960 -0.009 0.000 0.289 254 G C -3.255 171.619 174.900 -0.043 0.000 1.302 254 G CA -1.007 44.068 45.100 -0.040 0.000 0.936 254 G HN -0.028 nan 8.290 nan 0.000 0.513 255 P HA 0.177 nan 4.420 nan 0.000 0.269 255 P C -0.247 177.015 177.300 -0.063 0.000 1.217 255 P CA -0.047 63.032 63.100 -0.036 0.000 0.783 255 P CB 0.632 32.325 31.700 -0.012 0.000 0.898 256 K N 0.803 121.150 120.400 -0.088 0.000 2.524 256 K HA 0.196 4.511 4.320 -0.009 0.000 0.279 256 K C 0.420 176.867 176.600 -0.254 0.000 0.993 256 K CA 0.285 56.461 56.287 -0.185 0.000 1.030 256 K CB -0.119 32.240 32.500 -0.234 0.000 0.891 256 K HN 0.672 nan 8.250 nan 0.000 0.488 257 G N 2.433 111.041 108.800 -0.320 0.000 2.597 257 G HA2 0.539 4.494 3.960 -0.009 0.000 0.317 257 G HA3 0.539 4.494 3.960 -0.009 0.000 0.317 257 G C -1.732 172.822 174.900 -0.577 0.000 1.230 257 G CA -0.618 44.310 45.100 -0.287 0.000 0.996 257 G HN 0.564 nan 8.290 nan 0.000 0.490 258 Y N -1.272 118.952 120.300 -0.128 0.000 2.524 258 Y HA 0.575 5.121 4.550 -0.007 0.000 0.347 258 Y C -0.497 175.328 175.900 -0.125 0.000 1.005 258 Y CA -0.884 57.064 58.100 -0.253 0.000 1.025 258 Y CB 2.666 40.679 38.460 -0.744 0.000 1.275 258 Y HN 0.503 nan 8.280 nan 0.000 0.460 259 L N 4.214 125.461 121.223 0.039 0.000 2.356 259 L HA 0.703 5.038 4.340 -0.009 0.000 0.277 259 L C -1.477 175.405 176.870 0.020 0.000 0.996 259 L CA -0.611 54.230 54.840 0.002 0.000 0.822 259 L CB 1.048 43.052 42.059 -0.091 0.000 1.256 259 L HN 0.564 nan 8.230 nan 0.000 0.413 260 I N 5.993 126.592 120.570 0.049 0.000 2.389 260 I HA 0.379 4.544 4.170 -0.009 0.000 0.288 260 I C -0.605 175.513 176.117 0.002 0.000 0.999 260 I CA -0.545 60.775 61.300 0.034 0.000 1.129 260 I CB 1.624 39.692 38.000 0.114 0.000 1.288 260 I HN 0.489 nan 8.210 nan 0.000 0.444 261 L N 4.448 125.548 121.223 -0.206 0.000 2.375 261 L HA 0.437 4.772 4.340 -0.009 0.000 0.268 261 L C -0.015 176.913 176.870 0.097 0.000 1.058 261 L CA -0.712 53.999 54.840 -0.214 0.000 0.803 261 L CB 1.120 42.823 42.059 -0.593 0.000 1.212 261 L HN 0.503 nan 8.230 nan 0.000 0.451 262 D N 1.037 121.504 120.400 0.113 0.000 2.295 262 D HA 0.258 4.893 4.640 -0.009 0.000 0.248 262 D C -0.183 176.256 176.300 0.232 0.000 1.154 262 D CA -0.057 54.063 54.000 0.200 0.000 0.857 262 D CB 1.710 42.533 40.800 0.038 0.000 1.117 262 D HN 0.617 nan 8.370 nan 0.000 0.468 263 G N 2.740 111.626 108.800 0.143 0.000 2.428 263 G HA2 0.392 4.347 3.960 -0.009 0.000 0.320 263 G HA3 0.392 4.347 3.960 -0.009 0.000 0.320 263 G C -0.157 174.169 174.900 -0.957 0.000 1.098 263 G CA -0.492 44.231 45.100 -0.627 0.000 0.984 263 G HN 0.361 nan 8.290 nan 0.000 0.444 264 V N 3.974 123.577 119.914 -0.519 0.000 2.258 264 V HA 0.214 4.329 4.120 -0.009 0.000 0.258 264 V C 0.006 176.100 176.094 -0.000 0.000 1.121 264 V CA -0.419 61.773 62.300 -0.179 0.000 0.942 264 V CB -0.377 31.492 31.823 0.077 0.000 1.170 264 V HN 0.665 nan 8.190 nan 0.000 0.487 265 F N 0.876 120.902 119.950 0.126 0.000 2.704 265 F HA 0.199 4.721 4.527 -0.009 0.000 0.304 265 F C 1.950 177.877 175.800 0.212 0.000 1.094 265 F CA -0.397 57.692 58.000 0.148 0.000 1.275 265 F CB -0.434 38.662 39.000 0.160 0.000 1.073 265 F HN 0.456 nan 8.300 nan 0.000 0.586 266 N N 0.238 119.089 118.700 0.252 0.000 2.354 266 N HA -0.102 4.632 4.740 -0.009 0.000 0.179 266 N C 0.021 175.751 175.510 0.368 0.000 1.021 266 N CA 0.829 54.076 53.050 0.329 0.000 0.887 266 N CB 0.171 38.906 38.487 0.413 0.000 0.974 266 N HN 0.386 nan 8.380 nan 0.000 0.437 267 H N -2.458 116.843 119.070 0.386 0.000 2.981 267 H HA 0.273 4.823 4.556 -0.009 0.000 0.327 267 H C -0.934 174.614 175.328 0.367 0.000 1.342 267 H CA -0.699 55.557 56.048 0.346 0.000 1.123 267 H CB 1.116 31.064 29.762 0.311 0.000 1.851 267 H HN -0.023 nan 8.280 nan 0.000 0.531 268 T N -1.585 113.265 114.554 0.493 0.000 2.905 268 T HA 0.624 4.969 4.350 -0.009 0.000 0.283 268 T C 0.615 175.494 174.700 0.298 0.000 1.031 268 T CA -0.362 61.956 62.100 0.364 0.000 1.002 268 T CB 1.615 70.651 68.868 0.280 0.000 1.200 268 T HN 0.848 nan 8.240 nan 0.000 0.560 269 G N -0.005 108.916 108.800 0.203 0.000 2.537 269 G HA2 0.395 4.349 3.960 -0.009 0.000 0.273 269 G HA3 0.395 4.349 3.960 -0.009 0.000 0.273 269 G C 0.470 175.446 174.900 0.127 0.000 1.189 269 G CA -0.341 44.858 45.100 0.166 0.000 0.881 269 G HN 0.845 nan 8.290 nan 0.000 0.535 270 D N -1.413 119.076 120.400 0.148 0.000 2.371 270 D HA -0.123 4.511 4.640 -0.009 0.000 0.221 270 D C 1.916 178.442 176.300 0.376 0.000 0.986 270 D CA 0.961 55.032 54.000 0.119 0.000 0.899 270 D CB -0.033 40.869 40.800 0.170 0.000 0.902 270 D HN 0.307 nan 8.370 nan 0.000 0.530 271 S N -1.496 114.445 115.700 0.401 0.000 2.557 271 S HA 0.030 4.495 4.470 -0.009 0.000 0.223 271 S C 0.442 175.237 174.600 0.325 0.000 0.969 271 S CA -0.711 57.757 58.200 0.445 0.000 0.927 271 S CB -0.862 62.587 63.200 0.415 0.000 0.806 271 S HN 0.407 nan 8.310 nan 0.000 0.489 272 H N 3.471 122.611 119.070 0.117 0.000 2.848 272 H HA 0.219 4.770 4.556 -0.009 0.000 0.341 272 H C -1.314 173.907 175.328 -0.178 0.000 1.060 272 H CA -1.109 54.872 56.048 -0.112 0.000 1.444 272 H CB 1.020 30.694 29.762 -0.147 0.000 1.446 272 H HN 0.000 nan 8.280 nan 0.000 0.583 273 P HA -0.237 nan 4.420 nan 0.000 0.218 273 P C 0.834 177.994 177.300 -0.233 0.000 1.146 273 P CA 1.278 63.975 63.100 -0.673 0.000 0.813 273 P CB 0.100 31.009 31.700 -1.318 0.000 0.778 274 W N -1.552 119.688 121.300 -0.100 0.000 2.465 274 W HA 0.002 4.656 4.660 -0.009 0.000 0.268 274 W C 2.173 178.892 176.519 0.333 0.000 1.242 274 W CA 0.290 57.505 57.345 -0.217 0.000 1.248 274 W CB -1.531 27.841 29.460 -0.145 0.000 1.118 274 W HN -0.013 nan 8.180 nan 0.000 0.587 275 F N 0.364 120.496 119.950 0.303 0.000 2.532 275 F HA 0.080 4.601 4.527 -0.009 0.000 0.278 275 F C 0.532 176.438 175.800 0.176 0.000 0.975 275 F CA 0.890 58.939 58.000 0.082 0.000 1.292 275 F CB -0.297 38.557 39.000 -0.243 0.000 1.112 275 F HN -0.336 nan 8.300 nan 0.000 0.703 276 D N 1.432 122.035 120.400 0.338 0.000 2.735 276 D HA -0.269 4.366 4.640 -0.009 0.000 0.235 276 D C 1.120 177.504 176.300 0.139 0.000 1.175 276 D CA 0.789 54.967 54.000 0.296 0.000 0.683 276 D CB -0.789 40.208 40.800 0.327 0.000 1.008 276 D HN 0.487 nan 8.370 nan 0.000 0.416 277 K N -0.329 120.057 120.400 -0.023 0.000 2.147 277 K HA -0.171 4.144 4.320 -0.009 0.000 0.205 277 K C 1.127 177.378 176.600 -0.581 0.000 1.049 277 K CA 1.155 57.071 56.287 -0.619 0.000 0.936 277 K CB -0.033 31.925 32.500 -0.904 0.000 0.722 277 K HN 0.487 nan 8.250 nan 0.000 0.446 278 Y N 0.022 120.353 120.300 0.052 0.000 2.555 278 Y HA 0.192 4.736 4.550 -0.009 0.000 0.259 278 Y C 0.021 175.968 175.900 0.079 0.000 1.179 278 Y CA -0.511 57.620 58.100 0.051 0.000 1.230 278 Y CB 0.019 38.502 38.460 0.038 0.000 1.146 278 Y HN 0.110 nan 8.280 nan 0.000 0.526 279 N N 1.633 120.459 118.700 0.211 0.000 2.696 279 N HA -0.242 4.492 4.740 -0.009 0.000 0.256 279 N C -0.108 175.481 175.510 0.131 0.000 1.031 279 N CA 0.565 53.730 53.050 0.192 0.000 0.730 279 N CB -1.186 37.391 38.487 0.149 0.000 0.894 279 N HN 0.362 nan 8.380 nan 0.000 0.544 280 N N -0.422 118.343 118.700 0.109 0.000 2.398 280 N HA 0.098 4.832 4.740 -0.009 0.000 0.188 280 N C -0.578 174.570 175.510 -0.603 0.000 1.122 280 N CA 0.689 53.591 53.050 -0.247 0.000 0.866 280 N CB 0.136 38.399 38.487 -0.373 0.000 0.970 280 N HN 0.342 nan 8.380 nan 0.000 0.462 281 F N -0.611 119.384 119.950 0.075 0.000 2.576 281 F HA 0.207 4.729 4.527 -0.009 0.000 0.313 281 F C 1.540 177.397 175.800 0.096 0.000 1.078 281 F CA -1.083 56.959 58.000 0.069 0.000 0.921 281 F CB 1.322 40.358 39.000 0.059 0.000 1.232 281 F HN -0.209 nan 8.300 nan 0.000 0.459 282 S N -0.549 115.304 115.700 0.256 0.000 2.419 282 S HA -0.084 4.381 4.470 -0.009 0.000 0.233 282 S C 0.781 175.512 174.600 0.218 0.000 1.016 282 S CA 0.589 58.902 58.200 0.188 0.000 0.974 282 S CB -0.847 62.437 63.200 0.140 0.000 0.786 282 S HN 0.617 nan 8.310 nan 0.000 0.492 283 S N 1.180 117.053 115.700 0.289 0.000 2.584 283 S HA 0.245 4.710 4.470 -0.009 0.000 0.270 283 S C -0.327 174.477 174.600 0.341 0.000 1.346 283 S CA -0.766 57.627 58.200 0.322 0.000 1.018 283 S CB 0.226 63.696 63.200 0.450 0.000 0.899 283 S HN 0.500 nan 8.310 nan 0.000 0.542 284 Q N 0.996 120.989 119.800 0.321 0.000 2.360 284 Q HA 0.452 4.787 4.340 -0.009 0.000 0.254 284 Q C 0.515 176.775 176.000 0.433 0.000 0.975 284 Q CA -0.455 55.522 55.803 0.290 0.000 0.912 284 Q CB 1.387 30.220 28.738 0.158 0.000 1.212 284 Q HN 0.883 nan 8.270 nan 0.000 0.452 285 G N 0.828 109.876 108.800 0.414 0.000 2.562 285 G HA2 0.328 4.282 3.960 -0.009 0.000 0.275 285 G HA3 0.328 4.282 3.960 -0.009 0.000 0.275 285 G C 0.841 175.970 174.900 0.381 0.000 1.196 285 G CA 0.032 45.414 45.100 0.469 0.000 0.908 285 G HN 0.709 nan 8.290 nan 0.000 0.524 286 A N -0.105 122.975 122.820 0.434 0.000 1.917 286 A HA -0.204 4.111 4.320 -0.009 0.000 0.219 286 A C 2.048 179.842 177.584 0.351 0.000 1.182 286 A CA 2.164 54.492 52.037 0.486 0.000 0.633 286 A CB -0.844 18.546 19.000 0.651 0.000 0.819 286 A HN 0.844 nan 8.150 nan 0.000 0.448 287 Y N 0.535 120.660 120.300 -0.293 0.000 2.293 287 Y HA -0.133 4.412 4.550 -0.009 0.000 0.291 287 Y C 2.183 178.042 175.900 -0.069 0.000 1.137 287 Y CA 2.074 59.916 58.100 -0.429 0.000 1.202 287 Y CB -0.086 37.781 38.460 -0.988 0.000 0.990 287 Y HN 0.497 nan 8.280 nan 0.000 0.537 288 E N -0.799 119.494 120.200 0.155 0.000 2.122 288 E HA -0.004 4.340 4.350 -0.009 0.000 0.190 288 E C 0.325 177.108 176.600 0.304 0.000 0.977 288 E CA 0.839 57.345 56.400 0.178 0.000 0.820 288 E CB 0.200 30.019 29.700 0.199 0.000 0.770 288 E HN 0.122 nan 8.360 nan 0.000 0.462 289 S N -0.813 115.053 115.700 0.277 0.000 2.543 289 S HA 0.115 4.579 4.470 -0.009 0.000 0.271 289 S C -0.219 174.169 174.600 -0.354 0.000 1.148 289 S CA -0.681 57.528 58.200 0.014 0.000 0.914 289 S CB 1.502 64.685 63.200 -0.028 0.000 1.096 289 S HN 0.015 nan 8.310 nan 0.000 0.471 290 Q N 1.940 121.147 119.800 -0.988 0.000 2.482 290 Q HA 0.090 4.425 4.340 -0.009 0.000 0.209 290 Q C 0.750 176.168 176.000 -0.970 0.000 0.961 290 Q CA 0.524 55.374 55.803 -1.587 0.000 0.945 290 Q CB 0.086 27.798 28.738 -1.711 0.000 1.012 290 Q HN 0.551 nan 8.270 nan 0.000 0.515 291 S N 0.161 115.550 115.700 -0.518 0.000 2.540 291 S HA 0.040 4.505 4.470 -0.009 0.000 0.218 291 S C 0.489 174.965 174.600 -0.208 0.000 0.977 291 S CA -0.277 57.732 58.200 -0.318 0.000 0.918 291 S CB 0.524 63.580 63.200 -0.241 0.000 0.806 291 S HN 0.214 nan 8.310 nan 0.000 0.496 292 S N 3.464 119.082 115.700 -0.138 0.000 2.552 292 S HA 0.089 4.554 4.470 -0.009 0.000 0.289 292 S C -1.197 173.300 174.600 -0.171 0.000 1.304 292 S CA -1.146 57.020 58.200 -0.057 0.000 1.063 292 S CB 0.738 64.051 63.200 0.188 0.000 0.848 292 S HN 0.160 nan 8.310 nan 0.000 0.499 293 P HA -0.032 nan 4.420 nan 0.000 0.225 293 P C 0.395 177.278 177.300 -0.696 0.000 1.148 293 P CA 1.110 63.806 63.100 -0.674 0.000 0.779 293 P CB 0.026 31.109 31.700 -1.028 0.000 0.780 294 W N -2.388 118.797 121.300 -0.192 0.000 2.991 294 W HA 0.201 4.856 4.660 -0.009 0.000 0.391 294 W C 1.546 178.044 176.519 -0.036 0.000 1.054 294 W CA -0.740 56.285 57.345 -0.533 0.000 1.856 294 W CB -1.090 27.976 29.460 -0.656 0.000 1.132 294 W HN -0.042 nan 8.180 nan 0.000 0.601 295 Y N 2.899 123.289 120.300 0.149 0.000 2.114 295 Y HA -0.266 4.279 4.550 -0.009 0.000 0.282 295 Y C 1.827 177.940 175.900 0.355 0.000 1.165 295 Y CA 1.998 60.255 58.100 0.261 0.000 1.148 295 Y CB -0.487 38.007 38.460 0.057 0.000 0.972 295 Y HN -0.197 nan 8.280 nan 0.000 0.504 296 N N -0.742 118.094 118.700 0.227 0.000 2.521 296 N HA -0.127 4.608 4.740 -0.009 0.000 0.188 296 N C 1.066 176.670 175.510 0.156 0.000 1.146 296 N CA 0.687 53.819 53.050 0.137 0.000 0.893 296 N CB -0.434 38.142 38.487 0.148 0.000 0.975 296 N HN 0.577 nan 8.380 nan 0.000 0.451 297 Y N -0.784 119.461 120.300 -0.091 0.000 2.516 297 Y HA -0.049 4.496 4.550 -0.009 0.000 0.291 297 Y C 0.256 175.814 175.900 -0.569 0.000 1.131 297 Y CA 0.261 58.132 58.100 -0.381 0.000 1.281 297 Y CB 0.260 38.398 38.460 -0.536 0.000 1.013 297 Y HN -0.009 nan 8.280 nan 0.000 0.554 298 Y N -1.435 118.931 120.300 0.110 0.000 2.686 298 Y HA 0.426 4.971 4.550 -0.009 0.000 0.330 298 Y C -0.037 175.754 175.900 -0.182 0.000 1.082 298 Y CA -1.449 56.626 58.100 -0.043 0.000 1.158 298 Y CB 1.349 39.770 38.460 -0.064 0.000 1.333 298 Y HN -0.464 nan 8.280 nan 0.000 0.519 299 T N 2.046 116.524 114.554 -0.126 0.000 2.815 299 T HA 0.491 4.836 4.350 -0.009 0.000 0.289 299 T C -1.338 173.103 174.700 -0.431 0.000 1.000 299 T CA -0.571 61.404 62.100 -0.208 0.000 0.958 299 T CB -0.156 68.612 68.868 -0.167 0.000 0.944 299 T HN 0.218 nan 8.240 nan 0.000 0.442 300 F N 2.138 122.055 119.950 -0.055 0.000 2.436 300 F HA 0.423 4.945 4.527 -0.009 0.000 0.340 300 F C 0.584 176.369 175.800 -0.026 0.000 1.113 300 F CA -0.869 57.162 58.000 0.052 0.000 1.022 300 F CB 1.040 40.233 39.000 0.321 0.000 1.128 300 F HN 0.580 nan 8.300 nan 0.000 0.466 301 Y N 0.252 120.785 120.300 0.389 0.000 2.301 301 Y HA 0.100 4.645 4.550 -0.009 0.000 0.295 301 Y C 1.006 177.068 175.900 0.271 0.000 1.119 301 Y CA 0.331 58.586 58.100 0.258 0.000 1.162 301 Y CB -0.016 38.544 38.460 0.167 0.000 1.046 301 Y HN 0.309 nan 8.280 nan 0.000 0.538 302 T N -0.064 114.761 114.554 0.453 0.000 3.176 302 T HA 0.081 4.426 4.350 -0.009 0.000 0.337 302 T C -1.365 173.560 174.700 0.376 0.000 0.957 302 T CA -0.621 61.687 62.100 0.346 0.000 1.092 302 T CB 0.025 69.036 68.868 0.238 0.000 1.018 302 T HN 0.181 nan 8.240 nan 0.000 0.473 303 W N 6.726 128.138 121.300 0.186 0.000 2.257 303 W HA 0.309 4.964 4.660 -0.009 0.000 0.337 303 W C -1.505 174.978 176.519 -0.060 0.000 1.321 303 W CA -0.951 56.380 57.345 -0.024 0.000 1.267 303 W CB 0.909 30.227 29.460 -0.238 0.000 1.187 303 W HN 0.387 nan 8.180 nan 0.000 0.565 304 P HA 0.071 nan 4.420 nan 0.000 0.281 304 P C 0.398 177.718 177.300 0.033 0.000 1.291 304 P CA 0.502 62.879 63.100 -1.206 0.000 0.906 304 P CB 0.823 31.052 31.700 -2.452 0.000 1.388 305 D N 0.042 120.493 120.400 0.086 0.000 2.289 305 D HA -0.001 4.634 4.640 -0.009 0.000 0.207 305 D C 0.404 176.824 176.300 0.201 0.000 0.966 305 D CA 0.886 55.065 54.000 0.299 0.000 0.868 305 D CB 0.340 41.220 40.800 0.134 0.000 0.943 305 D HN 0.106 nan 8.370 nan 0.000 0.514 306 S N 0.184 116.044 115.700 0.267 0.000 2.520 306 S HA 0.413 4.877 4.470 -0.009 0.000 0.324 306 S C -1.147 173.648 174.600 0.326 0.000 1.069 306 S CA -0.770 57.534 58.200 0.174 0.000 1.121 306 S CB -0.202 63.142 63.200 0.240 0.000 0.971 306 S HN 0.119 nan 8.310 nan 0.000 0.463 307 Y N 1.481 121.929 120.300 0.246 0.000 2.597 307 Y HA 0.808 5.352 4.550 -0.009 0.000 0.340 307 Y C -0.262 175.626 175.900 -0.021 0.000 1.097 307 Y CA -1.658 56.403 58.100 -0.065 0.000 1.037 307 Y CB 0.470 38.787 38.460 -0.237 0.000 1.305 307 Y HN 0.551 nan 8.280 nan 0.000 0.463 308 A N 1.899 124.710 122.820 -0.016 0.000 2.498 308 A HA 0.579 4.893 4.320 -0.009 0.000 0.239 308 A C 0.260 177.984 177.584 0.233 0.000 1.068 308 A CA 0.713 52.847 52.037 0.161 0.000 0.766 308 A CB -0.601 18.444 19.000 0.074 0.000 1.003 308 A HN 1.455 nan 8.150 nan 0.000 0.497 309 S N 1.114 116.918 115.700 0.172 0.000 2.688 309 S HA 0.613 5.078 4.470 -0.009 0.000 0.275 309 S C -0.672 173.962 174.600 0.057 0.000 1.175 309 S CA -0.661 57.640 58.200 0.168 0.000 0.818 309 S CB 0.502 63.812 63.200 0.183 0.000 1.157 309 S HN 1.218 nan 8.310 nan 0.000 0.482 310 F N 2.338 122.229 119.950 -0.098 0.000 2.466 310 F HA 0.492 5.014 4.527 -0.008 0.000 0.363 310 F C 0.523 176.118 175.800 -0.340 0.000 1.109 310 F CA -0.453 57.415 58.000 -0.221 0.000 1.161 310 F CB -0.225 38.562 39.000 -0.354 0.000 1.117 310 F HN 0.567 nan 8.300 nan 0.000 0.539 311 L N 5.814 126.381 121.223 -1.094 0.000 3.976 311 L HA -0.241 4.094 4.340 -0.009 0.000 0.418 311 L C 1.293 177.628 176.870 -0.892 0.000 1.177 311 L CA 1.318 55.508 54.840 -1.084 0.000 0.968 311 L CB -1.903 39.321 42.059 -1.391 0.000 1.933 311 L HN 1.125 nan 8.230 nan 0.000 0.976 312 G N -3.322 105.161 108.800 -0.528 0.000 2.176 312 G HA2 -0.333 3.621 3.960 -0.009 0.000 0.253 312 G HA3 -0.333 3.621 3.960 -0.009 0.000 0.253 312 G C 0.179 174.955 174.900 -0.206 0.000 0.979 312 G CA -0.000 44.894 45.100 -0.343 0.000 0.641 312 G HN 0.272 nan 8.290 nan 0.000 0.530 313 F N 2.057 122.000 119.950 -0.011 0.000 2.462 313 F HA 0.325 4.847 4.527 -0.009 0.000 0.360 313 F C 1.478 177.330 175.800 0.086 0.000 1.134 313 F CA -0.742 57.291 58.000 0.054 0.000 1.148 313 F CB -0.110 38.954 39.000 0.108 0.000 1.147 313 F HN 0.119 nan 8.300 nan 0.000 0.550 314 N N 0.820 119.676 118.700 0.260 0.000 2.348 314 N HA -0.191 4.543 4.740 -0.009 0.000 0.185 314 N C 1.704 177.415 175.510 0.336 0.000 1.019 314 N CA 1.080 54.280 53.050 0.250 0.000 0.880 314 N CB 0.045 38.630 38.487 0.163 0.000 0.965 314 N HN 0.528 nan 8.380 nan 0.000 0.437 315 S N 0.054 115.934 115.700 0.300 0.000 2.603 315 S HA 0.076 4.541 4.470 -0.009 0.000 0.220 315 S C 0.659 175.381 174.600 0.203 0.000 0.967 315 S CA 0.221 58.594 58.200 0.289 0.000 0.920 315 S CB -0.002 63.403 63.200 0.342 0.000 0.773 315 S HN 0.184 nan 8.310 nan 0.000 0.529 316 L N 2.691 124.024 121.223 0.184 0.000 2.637 316 L HA 0.417 4.752 4.340 -0.009 0.000 0.241 316 L C -2.761 174.177 176.870 0.113 0.000 1.398 316 L CA -2.127 52.775 54.840 0.103 0.000 0.895 316 L CB 1.061 43.069 42.059 -0.085 0.000 1.183 316 L HN -0.032 nan 8.230 nan 0.000 0.497 317 P HA -0.058 nan 4.420 nan 0.000 0.263 317 P C -0.470 176.993 177.300 0.271 0.000 1.195 317 P CA 0.091 63.131 63.100 -0.101 0.000 0.762 317 P CB 0.915 31.924 31.700 -1.151 0.000 0.799 318 K N 4.070 124.654 120.400 0.306 0.000 2.368 318 K HA 0.198 4.512 4.320 -0.009 0.000 0.282 318 K C 0.017 176.782 176.600 0.274 0.000 1.035 318 K CA -0.495 55.996 56.287 0.340 0.000 0.973 318 K CB 0.135 32.794 32.500 0.266 0.000 0.957 318 K HN 0.460 nan 8.250 nan 0.000 0.474 319 L N 3.644 125.001 121.223 0.223 0.000 2.380 319 L HA 0.083 4.418 4.340 -0.009 0.000 0.273 319 L C 0.313 177.209 176.870 0.043 0.000 1.138 319 L CA -0.464 54.364 54.840 -0.020 0.000 0.832 319 L CB 0.589 42.622 42.059 -0.044 0.000 1.124 319 L HN 0.658 nan 8.230 nan 0.000 0.454 320 N N 1.765 120.389 118.700 -0.126 0.000 2.437 320 N HA 0.089 4.824 4.740 -0.009 0.000 0.243 320 N C 0.196 175.630 175.510 -0.126 0.000 1.041 320 N CA 0.008 53.033 53.050 -0.042 0.000 0.940 320 N CB 0.396 38.846 38.487 -0.061 0.000 1.133 320 N HN 0.365 nan 8.380 nan 0.000 0.506 321 Y N 2.983 123.204 120.300 -0.131 0.000 2.561 321 Y HA 0.100 4.644 4.550 -0.009 0.000 0.291 321 Y C 1.989 177.810 175.900 -0.131 0.000 1.141 321 Y CA 0.656 58.665 58.100 -0.153 0.000 1.303 321 Y CB -0.160 38.233 38.460 -0.113 0.000 1.015 321 Y HN 0.790 nan 8.280 nan 0.000 0.547 322 G N 0.947 109.764 108.800 0.029 0.000 2.582 322 G HA2 -0.382 3.573 3.960 -0.009 0.000 0.300 322 G HA3 -0.382 3.573 3.960 -0.009 0.000 0.300 322 G C -0.342 174.569 174.900 0.019 0.000 1.300 322 G CA 0.299 45.400 45.100 0.001 0.000 0.959 322 G HN 0.404 nan 8.290 nan 0.000 0.548 323 N N -0.066 118.633 118.700 -0.001 0.000 2.476 323 N HA 0.570 5.304 4.740 -0.009 0.000 0.276 323 N C 0.283 175.793 175.510 0.000 0.000 1.204 323 N CA 0.077 53.132 53.050 0.008 0.000 0.974 323 N CB 0.991 39.480 38.487 0.003 0.000 1.204 323 N HN 0.685 nan 8.380 nan 0.000 0.543 324 S N -0.252 115.457 115.700 0.015 0.000 2.558 324 S HA 0.299 4.764 4.470 -0.009 0.000 0.291 324 S C 1.348 175.936 174.600 -0.020 0.000 1.306 324 S CA 0.830 59.040 58.200 0.017 0.000 1.056 324 S CB -0.037 63.182 63.200 0.032 0.000 0.836 324 S HN 0.856 nan 8.310 nan 0.000 0.504 325 G N 1.863 110.635 108.800 -0.048 0.000 2.176 325 G HA2 -0.307 3.647 3.960 -0.009 0.000 0.253 325 G HA3 -0.307 3.647 3.960 -0.009 0.000 0.253 325 G C 0.273 175.105 174.900 -0.114 0.000 0.979 325 G CA 0.205 45.260 45.100 -0.076 0.000 0.641 325 G HN 1.265 nan 8.290 nan 0.000 0.530 326 S N 0.004 115.623 115.700 -0.135 0.000 2.580 326 S HA 0.644 5.109 4.470 -0.009 0.000 0.266 326 S C 1.831 176.271 174.600 -0.266 0.000 1.354 326 S CA 0.563 58.656 58.200 -0.178 0.000 1.008 326 S CB 1.594 64.682 63.200 -0.188 0.000 0.898 326 S HN 1.735 nan 8.310 nan 0.000 0.555 327 A N 1.654 124.306 122.820 -0.281 0.000 1.933 327 A HA 0.015 4.330 4.320 -0.009 0.000 0.218 327 A C 2.142 179.372 177.584 -0.591 0.000 1.175 327 A CA 1.551 53.387 52.037 -0.334 0.000 0.628 327 A CB -1.204 17.674 19.000 -0.202 0.000 0.814 327 A HN 0.795 nan 8.150 nan 0.000 0.444 328 V N 0.060 119.496 119.914 -0.796 0.000 2.307 328 V HA -0.251 3.864 4.120 -0.009 0.000 0.245 328 V C 2.585 178.183 176.094 -0.826 0.000 1.045 328 V CA 2.152 63.852 62.300 -1.000 0.000 1.024 328 V CB -0.800 30.381 31.823 -1.070 0.000 0.651 328 V HN 0.536 nan 8.190 nan 0.000 0.449 329 R N 0.214 120.309 120.500 -0.675 0.000 2.120 329 R HA -0.107 4.228 4.340 -0.009 0.000 0.234 329 R C 2.412 178.196 176.300 -0.860 0.000 1.123 329 R CA 1.339 57.001 56.100 -0.730 0.000 0.975 329 R CB -0.753 29.270 30.300 -0.462 0.000 0.866 329 R HN 0.605 nan 8.270 nan 0.000 0.446 330 G N 0.939 109.397 108.800 -0.570 0.000 2.433 330 G HA2 -0.227 3.727 3.960 -0.009 0.000 0.216 330 G HA3 -0.227 3.727 3.960 -0.009 0.000 0.216 330 G C 1.486 176.169 174.900 -0.362 0.000 1.186 330 G CA 1.099 45.948 45.100 -0.418 0.000 0.779 330 G HN 0.307 nan 8.290 nan 0.000 0.543 331 V N -1.170 118.528 119.914 -0.359 0.000 2.970 331 V HA 0.059 4.173 4.120 -0.009 0.000 0.260 331 V C 2.385 178.313 176.094 -0.276 0.000 1.100 331 V CA 0.790 62.955 62.300 -0.226 0.000 1.122 331 V CB -0.368 31.376 31.823 -0.132 0.000 0.721 331 V HN 0.221 nan 8.190 nan 0.000 0.483 332 I N 0.460 120.779 120.570 -0.418 0.000 2.429 332 I HA 0.068 4.233 4.170 -0.009 0.000 0.247 332 I C 2.293 178.237 176.117 -0.289 0.000 1.099 332 I CA 2.219 63.255 61.300 -0.440 0.000 1.422 332 I CB -0.618 37.171 38.000 -0.353 0.000 1.112 332 I HN 0.680 nan 8.210 nan 0.000 0.430 333 Y N -2.498 117.665 120.300 -0.229 0.000 2.449 333 Y HA 0.369 4.913 4.550 -0.009 0.000 0.283 333 Y C 1.626 177.451 175.900 -0.125 0.000 1.079 333 Y CA -0.421 57.574 58.100 -0.175 0.000 1.099 333 Y CB -0.858 37.548 38.460 -0.090 0.000 1.354 333 Y HN -0.172 nan 8.280 nan 0.000 0.569 334 N N 1.422 119.872 118.700 -0.418 0.000 2.171 334 N HA -0.051 4.684 4.740 -0.009 0.000 0.184 334 N C -0.284 175.158 175.510 -0.114 0.000 1.021 334 N CA 0.953 53.883 53.050 -0.199 0.000 0.854 334 N CB -0.405 37.908 38.487 -0.291 0.000 0.994 334 N HN 0.341 nan 8.380 nan 0.000 0.426 335 N N 0.360 118.974 118.700 -0.144 0.000 2.479 335 N HA -0.046 4.689 4.740 -0.009 0.000 0.257 335 N C 1.075 176.563 175.510 -0.038 0.000 1.232 335 N CA 0.128 53.131 53.050 -0.080 0.000 0.920 335 N CB 0.922 39.361 38.487 -0.080 0.000 1.105 335 N HN -0.003 nan 8.380 nan 0.000 0.444 336 S N 0.924 116.615 115.700 -0.014 0.000 2.419 336 S HA -0.140 4.325 4.470 -0.009 0.000 0.233 336 S C 1.006 175.611 174.600 0.008 0.000 1.016 336 S CA 1.033 59.238 58.200 0.008 0.000 0.974 336 S CB -0.230 62.978 63.200 0.013 0.000 0.786 336 S HN 0.702 nan 8.310 nan 0.000 0.492 337 N N 1.277 119.975 118.700 -0.003 0.000 2.279 337 N HA 0.087 4.822 4.740 -0.009 0.000 0.226 337 N C 0.127 175.629 175.510 -0.014 0.000 1.126 337 N CA 0.245 53.293 53.050 -0.003 0.000 0.846 337 N CB -0.350 38.144 38.487 0.012 0.000 1.050 337 N HN 0.377 nan 8.380 nan 0.000 0.502 338 S N -1.121 114.561 115.700 -0.030 0.000 2.608 338 S HA 0.212 4.677 4.470 -0.009 0.000 0.261 338 S C 1.498 176.078 174.600 -0.033 0.000 1.314 338 S CA -0.524 57.637 58.200 -0.065 0.000 0.992 338 S CB 0.840 63.970 63.200 -0.116 0.000 0.935 338 S HN -0.098 nan 8.310 nan 0.000 0.564 339 V N 1.471 121.333 119.914 -0.087 0.000 2.295 339 V HA -0.157 3.958 4.120 -0.009 0.000 0.246 339 V C 3.001 179.236 176.094 0.235 0.000 1.049 339 V CA 2.268 64.597 62.300 0.047 0.000 1.024 339 V CB -1.975 29.765 31.823 -0.138 0.000 0.648 339 V HN 1.007 nan 8.190 nan 0.000 0.447 340 A N 0.006 122.798 122.820 -0.047 0.000 1.858 340 A HA -0.238 4.077 4.320 -0.009 0.000 0.216 340 A C 2.325 180.151 177.584 0.404 0.000 1.190 340 A CA 2.135 54.231 52.037 0.098 0.000 0.617 340 A CB -0.433 18.465 19.000 -0.170 0.000 0.827 340 A HN 0.558 nan 8.150 nan 0.000 0.443 341 K N -1.160 119.354 120.400 0.189 0.000 2.116 341 K HA -0.035 4.280 4.320 -0.009 0.000 0.203 341 K C 2.109 178.811 176.600 0.170 0.000 1.052 341 K CA 1.367 57.759 56.287 0.175 0.000 0.952 341 K CB -0.372 32.177 32.500 0.082 0.000 0.729 341 K HN 0.432 nan 8.250 nan 0.000 0.446 342 T N 0.784 115.390 114.554 0.087 0.000 2.665 342 T HA -0.190 4.154 4.350 -0.009 0.000 0.268 342 T C 1.526 176.160 174.700 -0.110 0.000 1.035 342 T CA 1.616 63.664 62.100 -0.087 0.000 1.151 342 T CB -0.344 68.314 68.868 -0.348 0.000 0.862 342 T HN 0.259 nan 8.240 nan 0.000 0.438 343 Y N 0.333 120.784 120.300 0.253 0.000 2.544 343 Y HA 0.280 4.824 4.550 -0.009 0.000 0.286 343 Y C 2.001 178.059 175.900 0.263 0.000 1.141 343 Y CA 0.142 58.362 58.100 0.201 0.000 1.299 343 Y CB -0.231 38.344 38.460 0.191 0.000 1.030 343 Y HN 0.148 nan 8.280 nan 0.000 0.543 344 L N -0.605 120.856 121.223 0.396 0.000 2.375 344 L HA 0.009 4.344 4.340 -0.009 0.000 0.215 344 L C 0.272 177.282 176.870 0.234 0.000 1.108 344 L CA 0.456 55.478 54.840 0.304 0.000 0.830 344 L CB -0.242 42.011 42.059 0.324 0.000 0.959 344 L HN 0.139 nan 8.230 nan 0.000 0.457 345 N N 0.296 119.127 118.700 0.218 0.000 2.495 345 N HA 0.225 4.959 4.740 -0.009 0.000 0.280 345 N C -2.383 173.229 175.510 0.170 0.000 1.168 345 N CA -1.562 51.584 53.050 0.161 0.000 0.978 345 N CB 1.060 39.620 38.487 0.122 0.000 1.191 345 N HN -0.143 nan 8.380 nan 0.000 0.497 346 P HA 0.038 nan 4.420 nan 0.000 0.272 346 P C -2.196 175.101 177.300 -0.006 0.000 1.240 346 P CA -0.806 62.318 63.100 0.040 0.000 0.791 346 P CB 0.126 31.834 31.700 0.014 0.000 0.978 347 P HA -0.012 nan 4.420 nan 0.000 0.253 347 P C 0.411 177.489 177.300 -0.371 0.000 1.281 347 P CA 0.844 63.773 63.100 -0.285 0.000 0.792 347 P CB -0.155 31.325 31.700 -0.368 0.000 1.193 348 Y N 0.317 120.660 120.300 0.072 0.000 2.259 348 Y HA 0.081 4.626 4.550 -0.008 0.000 0.285 348 Y C 1.606 177.577 175.900 0.118 0.000 1.130 348 Y CA 0.525 58.693 58.100 0.113 0.000 1.144 348 Y CB -0.712 37.867 38.460 0.198 0.000 1.093 348 Y HN -0.224 nan 8.280 nan 0.000 0.507 349 S N 0.295 116.179 115.700 0.306 0.000 3.711 349 S HA -0.124 4.340 4.470 -0.009 0.000 0.374 349 S C -0.023 174.733 174.600 0.260 0.000 0.969 349 S CA 0.015 58.360 58.200 0.240 0.000 1.198 349 S CB -2.464 60.849 63.200 0.189 0.000 0.903 349 S HN 0.410 nan 8.310 nan 0.000 0.493 350 V N -0.996 119.048 119.914 0.217 0.000 3.503 350 V HA 0.323 4.437 4.120 -0.009 0.000 0.300 350 V C 1.106 177.272 176.094 0.120 0.000 1.099 350 V CA 0.090 62.456 62.300 0.111 0.000 1.117 350 V CB 0.718 32.516 31.823 -0.040 0.000 1.122 350 V HN 0.405 nan 8.190 nan 0.000 0.476 351 D N 0.793 121.251 120.400 0.096 0.000 2.369 351 D HA 0.416 5.050 4.640 -0.009 0.000 0.211 351 D C 0.615 177.078 176.300 0.272 0.000 1.077 351 D CA 1.156 55.255 54.000 0.165 0.000 0.842 351 D CB 1.070 41.889 40.800 0.033 0.000 0.947 351 D HN 1.051 nan 8.370 nan 0.000 0.509 352 G N 0.319 109.170 108.800 0.085 0.000 2.316 352 G HA2 0.295 4.250 3.960 -0.009 0.000 0.296 352 G HA3 0.295 4.250 3.960 -0.009 0.000 0.296 352 G C -2.301 172.544 174.900 -0.093 0.000 1.399 352 G CA -1.091 44.085 45.100 0.126 0.000 0.833 352 G HN 0.036 nan 8.290 nan 0.000 0.565 353 W N 0.099 121.522 121.300 0.206 0.000 2.915 353 W HA 0.738 5.393 4.660 -0.007 0.000 0.337 353 W C 0.117 176.620 176.519 -0.027 0.000 1.102 353 W CA -0.943 56.502 57.345 0.166 0.000 1.224 353 W CB 2.151 31.832 29.460 0.367 0.000 1.416 353 W HN 0.453 nan 8.180 nan 0.000 0.503 354 R N 4.070 124.664 120.500 0.157 0.000 2.246 354 R HA 0.384 4.718 4.340 -0.009 0.000 0.332 354 R C -1.149 175.082 176.300 -0.115 0.000 0.974 354 R CA -0.507 55.510 56.100 -0.139 0.000 0.837 354 R CB 0.319 30.393 30.300 -0.376 0.000 1.145 354 R HN 0.753 nan 8.270 nan 0.000 0.467 355 L N 5.275 126.300 121.223 -0.330 0.000 2.433 355 L HA 0.204 4.539 4.340 -0.009 0.000 0.284 355 L C 1.186 177.889 176.870 -0.278 0.000 1.120 355 L CA -0.125 54.463 54.840 -0.420 0.000 0.879 355 L CB -0.034 41.504 42.059 -0.868 0.000 1.232 355 L HN 0.497 nan 8.230 nan 0.000 0.454 356 N N 3.608 122.243 118.700 -0.108 0.000 2.492 356 N HA 0.025 4.760 4.740 -0.009 0.000 0.260 356 N C 0.854 176.422 175.510 0.097 0.000 1.215 356 N CA 0.598 53.679 53.050 0.051 0.000 0.923 356 N CB 0.871 39.462 38.487 0.173 0.000 1.092 356 N HN 0.809 nan 8.380 nan 0.000 0.448 357 A N 2.202 125.143 122.820 0.201 0.000 2.715 357 A HA -0.250 4.064 4.320 -0.009 0.000 0.301 357 A C 1.537 179.335 177.584 0.356 0.000 1.515 357 A CA 1.248 53.537 52.037 0.419 0.000 0.816 357 A CB -1.970 17.436 19.000 0.676 0.000 1.004 357 A HN 0.973 nan 8.150 nan 0.000 0.483 358 A N -0.396 122.506 122.820 0.137 0.000 2.032 358 A HA -0.187 4.128 4.320 -0.009 0.000 0.221 358 A C 2.047 179.836 177.584 0.341 0.000 1.165 358 A CA 1.975 54.130 52.037 0.197 0.000 0.645 358 A CB -0.456 18.262 19.000 -0.470 0.000 0.807 358 A HN 1.294 nan 8.150 nan 0.000 0.453 359 Q N -1.891 117.939 119.800 0.049 0.000 2.291 359 Q HA -0.156 4.178 4.340 -0.009 0.000 0.205 359 Q C 1.456 177.478 176.000 0.037 0.000 0.970 359 Q CA 1.626 57.415 55.803 -0.023 0.000 0.876 359 Q CB -0.490 28.155 28.738 -0.155 0.000 0.935 359 Q HN 0.768 nan 8.270 nan 0.000 0.455 360 Y N 0.698 121.175 120.300 0.296 0.000 2.517 360 Y HA 0.167 4.711 4.550 -0.009 0.000 0.281 360 Y C 0.909 176.909 175.900 0.166 0.000 1.125 360 Y CA -0.575 57.664 58.100 0.232 0.000 1.283 360 Y CB 0.619 39.233 38.460 0.255 0.000 1.042 360 Y HN -0.142 nan 8.280 nan 0.000 0.547 361 V N 2.745 122.815 119.914 0.260 0.000 2.625 361 V HA -0.113 4.001 4.120 -0.009 0.000 0.305 361 V C 0.013 175.994 176.094 -0.189 0.000 1.055 361 V CA 0.915 63.163 62.300 -0.087 0.000 1.209 361 V CB 0.010 31.574 31.823 -0.432 0.000 0.877 361 V HN 0.335 nan 8.190 nan 0.000 0.489 362 D N 2.248 122.548 120.400 -0.167 0.000 2.809 362 D HA 0.646 5.281 4.640 -0.009 0.000 0.336 362 D C -0.823 175.517 176.300 0.065 0.000 1.367 362 D CA 0.170 54.132 54.000 -0.064 0.000 0.815 362 D CB 1.918 42.746 40.800 0.047 0.000 1.381 362 D HN 0.670 nan 8.370 nan 0.000 0.471 363 A N 0.065 122.930 122.820 0.074 0.000 2.311 363 A HA 0.691 5.005 4.320 -0.009 0.000 0.334 363 A C 0.247 177.884 177.584 0.088 0.000 1.139 363 A CA 0.156 52.251 52.037 0.097 0.000 0.830 363 A CB 0.432 19.475 19.000 0.072 0.000 1.234 363 A HN 0.765 nan 8.150 nan 0.000 0.483 364 N N -0.414 118.332 118.700 0.076 0.000 2.708 364 N HA -0.240 4.495 4.740 -0.009 0.000 0.251 364 N C 0.838 176.411 175.510 0.105 0.000 1.123 364 N CA 1.351 54.449 53.050 0.080 0.000 0.739 364 N CB -1.019 37.519 38.487 0.084 0.000 1.113 364 N HN 2.060 nan 8.380 nan 0.000 0.561 365 G N -1.446 107.420 108.800 0.110 0.000 2.159 365 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.256 365 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.256 365 G C 0.120 175.133 174.900 0.188 0.000 0.977 365 G CA 0.271 45.461 45.100 0.149 0.000 0.652 365 G HN 0.449 nan 8.290 nan 0.000 0.531 366 N N -0.006 118.785 118.700 0.153 0.000 2.399 366 N HA 0.168 4.902 4.740 -0.009 0.000 0.250 366 N C 0.952 176.559 175.510 0.161 0.000 1.272 366 N CA 0.124 53.259 53.050 0.141 0.000 0.928 366 N CB 0.061 38.613 38.487 0.109 0.000 1.158 366 N HN 0.398 nan 8.380 nan 0.000 0.463 367 N N -0.158 118.644 118.700 0.169 0.000 2.313 367 N HA 0.143 4.878 4.740 -0.009 0.000 0.207 367 N C 0.936 176.617 175.510 0.285 0.000 1.141 367 N CA -0.016 53.190 53.050 0.259 0.000 0.830 367 N CB 0.207 38.841 38.487 0.245 0.000 1.008 367 N HN 0.697 nan 8.380 nan 0.000 0.481 368 G N 0.473 109.383 108.800 0.183 0.000 2.562 368 G HA2 -0.332 3.623 3.960 -0.009 0.000 0.250 368 G HA3 -0.332 3.623 3.960 -0.009 0.000 0.250 368 G C 0.181 175.153 174.900 0.120 0.000 1.269 368 G CA -0.267 44.916 45.100 0.139 0.000 0.919 368 G HN 0.220 nan 8.290 nan 0.000 0.574 369 S N 0.082 115.868 115.700 0.144 0.000 3.521 369 S HA -0.123 4.342 4.470 -0.009 0.000 0.362 369 S C 0.156 174.780 174.600 0.039 0.000 1.044 369 S CA 2.910 61.195 58.200 0.141 0.000 1.091 369 S CB -1.613 61.722 63.200 0.226 0.000 0.908 369 S HN 1.844 nan 8.310 nan 0.000 0.473 370 D N -2.383 118.003 120.400 -0.022 0.000 2.744 370 D HA 0.597 5.232 4.640 -0.009 0.000 0.304 370 D C 1.044 177.376 176.300 0.053 0.000 1.179 370 D CA -0.661 53.355 54.000 0.027 0.000 1.024 370 D CB 0.120 40.939 40.800 0.031 0.000 1.453 370 D HN -0.075 nan 8.370 nan 0.000 0.529 371 V N -0.120 119.830 119.914 0.060 0.000 2.332 371 V HA -0.242 3.873 4.120 -0.009 0.000 0.248 371 V C 2.219 178.335 176.094 0.037 0.000 1.055 371 V CA 2.661 64.999 62.300 0.064 0.000 1.038 371 V CB -1.024 30.815 31.823 0.027 0.000 0.651 371 V HN 0.733 nan 8.190 nan 0.000 0.450 372 T N 0.093 114.651 114.554 0.007 0.000 2.746 372 T HA -0.207 4.138 4.350 -0.009 0.000 0.267 372 T C 1.949 176.603 174.700 -0.077 0.000 1.039 372 T CA 1.640 63.729 62.100 -0.017 0.000 1.142 372 T CB -0.499 68.363 68.868 -0.009 0.000 0.866 372 T HN 0.569 nan 8.240 nan 0.000 0.444 373 N N 0.872 119.506 118.700 -0.110 0.000 2.069 373 N HA -0.184 4.551 4.740 -0.009 0.000 0.191 373 N C 1.664 177.078 175.510 -0.160 0.000 1.031 373 N CA 1.625 54.563 53.050 -0.186 0.000 0.852 373 N CB -0.241 38.181 38.487 -0.109 0.000 1.018 373 N HN 0.572 nan 8.380 nan 0.000 0.423 374 H N -0.269 118.820 119.070 0.032 0.000 2.428 374 H HA 0.032 4.583 4.556 -0.009 0.000 0.296 374 H C 2.109 177.451 175.328 0.024 0.000 1.062 374 H CA 0.989 57.050 56.048 0.022 0.000 1.350 374 H CB 0.131 29.799 29.762 -0.157 0.000 1.403 374 H HN 0.230 nan 8.280 nan 0.000 0.533 375 Q N 0.942 120.791 119.800 0.081 0.000 2.079 375 Q HA -0.111 4.224 4.340 -0.009 0.000 0.200 375 Q C 2.250 178.268 176.000 0.030 0.000 0.974 375 Q CA 1.180 57.015 55.803 0.054 0.000 0.840 375 Q CB -0.060 28.697 28.738 0.033 0.000 0.898 375 Q HN 0.541 nan 8.270 nan 0.000 0.430 376 I N -0.981 119.543 120.570 -0.076 0.000 2.179 376 I HA -0.280 3.885 4.170 -0.009 0.000 0.242 376 I C 1.937 177.920 176.117 -0.223 0.000 1.088 376 I CA 1.275 62.456 61.300 -0.197 0.000 1.357 376 I CB -0.427 37.266 38.000 -0.512 0.000 1.051 376 I HN 0.270 nan 8.210 nan 0.000 0.409 377 W N 0.502 121.826 121.300 0.041 0.000 2.465 377 W HA -0.134 4.521 4.660 -0.009 0.000 0.268 377 W C 2.762 179.373 176.519 0.154 0.000 1.242 377 W CA 0.287 57.709 57.345 0.129 0.000 1.248 377 W CB -0.228 29.394 29.460 0.270 0.000 1.118 377 W HN -0.001 nan 8.180 nan 0.000 0.587 378 S N 0.407 116.275 115.700 0.280 0.000 2.355 378 S HA -0.175 4.290 4.470 -0.009 0.000 0.222 378 S C 1.440 176.132 174.600 0.153 0.000 1.031 378 S CA 1.402 59.714 58.200 0.186 0.000 0.993 378 S CB -0.355 62.911 63.200 0.111 0.000 0.859 378 S HN 0.362 nan 8.310 nan 0.000 0.453 379 E N 0.291 120.558 120.200 0.111 0.000 2.106 379 E HA -0.123 4.222 4.350 -0.009 0.000 0.192 379 E C 1.763 178.363 176.600 -0.000 0.000 0.984 379 E CA 0.861 57.328 56.400 0.112 0.000 0.806 379 E CB -0.249 29.590 29.700 0.232 0.000 0.750 379 E HN 0.495 nan 8.360 nan 0.000 0.458 380 F N 2.171 121.896 119.950 -0.376 0.000 2.095 380 F HA -0.198 4.324 4.527 -0.009 0.000 0.298 380 F C 2.506 178.315 175.800 0.015 0.000 1.104 380 F CA 1.643 59.385 58.000 -0.431 0.000 1.232 380 F CB 0.001 38.914 39.000 -0.145 0.000 0.987 380 F HN -0.209 nan 8.300 nan 0.000 0.475 381 R N 0.321 120.981 120.500 0.267 0.000 2.081 381 R HA -0.184 4.151 4.340 -0.009 0.000 0.235 381 R C 1.998 178.354 176.300 0.094 0.000 1.131 381 R CA 1.802 58.030 56.100 0.213 0.000 0.960 381 R CB -0.403 30.056 30.300 0.265 0.000 0.856 381 R HN 0.301 nan 8.270 nan 0.000 0.436 382 N N 0.644 119.395 118.700 0.086 0.000 2.166 382 N HA -0.154 4.581 4.740 -0.009 0.000 0.186 382 N C 1.586 177.126 175.510 0.049 0.000 1.019 382 N CA 1.484 54.579 53.050 0.074 0.000 0.856 382 N CB -0.394 38.143 38.487 0.083 0.000 0.993 382 N HN 0.305 nan 8.380 nan 0.000 0.426 383 A N 0.906 123.738 122.820 0.019 0.000 1.855 383 A HA -0.066 4.248 4.320 -0.009 0.000 0.215 383 A C 2.558 180.120 177.584 -0.037 0.000 1.191 383 A CA 1.423 53.465 52.037 0.008 0.000 0.613 383 A CB -0.896 18.134 19.000 0.051 0.000 0.829 383 A HN 0.083 nan 8.150 nan 0.000 0.442 384 V N 0.689 120.517 119.914 -0.144 0.000 2.261 384 V HA -0.236 3.879 4.120 -0.009 0.000 0.246 384 V C 2.454 178.587 176.094 0.066 0.000 1.047 384 V CA 2.191 64.461 62.300 -0.051 0.000 1.015 384 V CB -0.634 31.135 31.823 -0.089 0.000 0.642 384 V HN 0.429 nan 8.190 nan 0.000 0.446 385 K N 0.627 121.073 120.400 0.077 0.000 2.280 385 K HA -0.062 4.253 4.320 -0.009 0.000 0.202 385 K C 2.112 178.764 176.600 0.086 0.000 1.047 385 K CA 1.297 57.645 56.287 0.102 0.000 0.942 385 K CB -0.922 31.646 32.500 0.114 0.000 0.739 385 K HN 0.566 nan 8.250 nan 0.000 0.457 386 G N 0.577 109.419 108.800 0.070 0.000 2.448 386 G HA2 -0.120 3.835 3.960 -0.009 0.000 0.218 386 G HA3 -0.120 3.835 3.960 -0.009 0.000 0.218 386 G C 1.607 176.548 174.900 0.068 0.000 1.135 386 G CA 0.316 45.454 45.100 0.064 0.000 0.784 386 G HN 0.129 nan 8.290 nan 0.000 0.543 387 V N 0.301 120.261 119.914 0.078 0.000 2.500 387 V HA 0.115 4.230 4.120 -0.009 0.000 0.243 387 V C 0.579 176.733 176.094 0.100 0.000 1.039 387 V CA 1.175 63.528 62.300 0.088 0.000 1.053 387 V CB -0.042 31.844 31.823 0.106 0.000 0.695 387 V HN 0.418 nan 8.190 nan 0.000 0.463 388 N N -0.662 118.108 118.700 0.116 0.000 2.629 388 N HA 0.061 4.795 4.740 -0.009 0.000 0.277 388 N C 0.770 176.363 175.510 0.138 0.000 1.188 388 N CA 0.582 53.709 53.050 0.128 0.000 0.835 388 N CB 1.739 40.319 38.487 0.154 0.000 1.420 388 N HN 0.124 nan 8.380 nan 0.000 0.542 389 S N 2.010 117.780 115.700 0.117 0.000 2.469 389 S HA -0.040 4.425 4.470 -0.009 0.000 0.238 389 S C 0.854 175.532 174.600 0.131 0.000 0.998 389 S CA 0.705 58.973 58.200 0.112 0.000 0.957 389 S CB -0.036 63.217 63.200 0.088 0.000 0.764 389 S HN 0.517 nan 8.310 nan 0.000 0.514 390 N N 1.609 120.414 118.700 0.175 0.000 2.235 390 N HA 0.381 5.116 4.740 -0.009 0.000 0.209 390 N C -0.176 175.571 175.510 0.396 0.000 1.122 390 N CA 0.311 53.519 53.050 0.264 0.000 0.845 390 N CB 0.807 39.486 38.487 0.319 0.000 1.004 390 N HN 0.547 nan 8.380 nan 0.000 0.499 391 A N 0.539 123.537 122.820 0.296 0.000 2.328 391 A HA 0.678 4.993 4.320 -0.009 0.000 0.284 391 A C 0.349 178.101 177.584 0.279 0.000 1.160 391 A CA -0.511 51.730 52.037 0.340 0.000 0.818 391 A CB 0.532 19.700 19.000 0.280 0.000 1.087 391 A HN 0.198 nan 8.150 nan 0.000 0.504 392 A N 2.453 125.451 122.820 0.297 0.000 2.340 392 A HA 0.655 4.969 4.320 -0.009 0.000 0.268 392 A C -0.204 177.490 177.584 0.183 0.000 1.100 392 A CA -0.221 51.877 52.037 0.103 0.000 0.803 392 A CB 0.069 19.024 19.000 -0.074 0.000 1.043 392 A HN 0.776 nan 8.150 nan 0.000 0.488 393 I N 2.703 123.353 120.570 0.134 0.000 2.448 393 I HA 0.307 4.472 4.170 -0.009 0.000 0.281 393 I C -1.057 175.042 176.117 -0.031 0.000 1.027 393 I CA 0.099 61.497 61.300 0.163 0.000 1.111 393 I CB 1.214 39.397 38.000 0.306 0.000 1.236 393 I HN 0.462 nan 8.210 nan 0.000 0.452 394 I N 5.451 125.911 120.570 -0.182 0.000 2.411 394 I HA 0.433 4.598 4.170 -0.009 0.000 0.284 394 I C 0.655 176.380 176.117 -0.654 0.000 1.012 394 I CA -0.491 60.613 61.300 -0.325 0.000 1.119 394 I CB 1.807 39.648 38.000 -0.265 0.000 1.261 394 I HN 0.546 nan 8.210 nan 0.000 0.448 395 G N 4.211 112.306 108.800 -1.175 0.000 2.420 395 G HA2 0.273 4.228 3.960 -0.009 0.000 0.284 395 G HA3 0.273 4.228 3.960 -0.009 0.000 0.284 395 G C -0.605 173.747 174.900 -0.913 0.000 1.177 395 G CA -0.365 43.617 45.100 -1.864 0.000 0.841 395 G HN 0.678 nan 8.290 nan 0.000 0.527 396 E N 0.241 120.100 120.200 -0.568 0.000 2.194 396 E HA 0.383 4.728 4.350 -0.009 0.000 0.284 396 E C -1.660 175.021 176.600 0.136 0.000 1.035 396 E CA -0.490 55.868 56.400 -0.070 0.000 0.836 396 E CB 0.716 30.469 29.700 0.089 0.000 1.070 396 E HN 0.397 nan 8.360 nan 0.000 0.401 397 Y N 4.252 124.655 120.300 0.172 0.000 2.390 397 Y HA 0.185 4.730 4.550 -0.009 0.000 0.324 397 Y C -1.235 174.914 175.900 0.415 0.000 1.151 397 Y CA -1.028 57.227 58.100 0.257 0.000 1.053 397 Y CB 0.711 39.278 38.460 0.178 0.000 1.277 397 Y HN 0.613 nan 8.280 nan 0.000 0.432 398 W N 3.135 124.157 121.300 -0.462 0.000 3.197 398 W HA 0.426 5.081 4.660 -0.008 0.000 0.274 398 W C 1.013 177.464 176.519 -0.114 0.000 1.297 398 W CA 0.530 57.676 57.345 -0.332 0.000 1.662 398 W CB 0.098 29.201 29.460 -0.595 0.000 1.106 398 W HN 0.689 nan 8.180 nan 0.000 0.663 399 G N -0.076 108.656 108.800 -0.114 0.000 3.135 399 G HA2 0.112 4.067 3.960 -0.009 0.000 0.159 399 G HA3 0.112 4.067 3.960 -0.009 0.000 0.159 399 G C -0.657 174.582 174.900 0.565 0.000 1.244 399 G CA -0.670 44.556 45.100 0.209 0.000 0.965 399 G HN -0.141 nan 8.290 nan 0.000 0.599 400 N N 0.931 119.960 118.700 0.548 0.000 2.399 400 N HA 0.326 5.061 4.740 -0.009 0.000 0.259 400 N C 0.781 176.604 175.510 0.520 0.000 1.160 400 N CA 0.151 53.447 53.050 0.409 0.000 0.946 400 N CB 1.126 39.709 38.487 0.160 0.000 1.156 400 N HN 0.457 nan 8.380 nan 0.000 0.489 401 A N 3.891 127.083 122.820 0.621 0.000 2.291 401 A HA -0.040 4.274 4.320 -0.009 0.000 0.220 401 A C 1.878 179.683 177.584 0.369 0.000 1.262 401 A CA -0.244 52.114 52.037 0.536 0.000 0.867 401 A CB -0.680 18.717 19.000 0.662 0.000 0.888 401 A HN 0.834 nan 8.150 nan 0.000 0.487 402 N N 1.332 120.081 118.700 0.082 0.000 2.091 402 N HA -0.165 4.570 4.740 -0.009 0.000 0.193 402 N C -1.116 174.274 175.510 -0.200 0.000 1.021 402 N CA 2.060 55.042 53.050 -0.114 0.000 0.862 402 N CB -0.718 37.632 38.487 -0.229 0.000 1.018 402 N HN 0.270 nan 8.380 nan 0.000 0.429 403 P HA -0.079 nan 4.420 nan 0.000 0.219 403 P C 0.659 177.440 177.300 -0.864 0.000 1.146 403 P CA 1.082 63.733 63.100 -0.749 0.000 0.808 403 P CB -0.227 30.814 31.700 -1.098 0.000 0.779 404 W N -0.969 120.004 121.300 -0.544 0.000 3.132 404 W HA 0.214 4.869 4.660 -0.009 0.000 0.364 404 W C 0.911 177.031 176.519 -0.664 0.000 1.129 404 W CA 0.717 57.532 57.345 -0.883 0.000 1.815 404 W CB -0.275 27.878 29.460 -2.179 0.000 1.099 404 W HN 0.141 nan 8.180 nan 0.000 0.605 405 T N -4.576 109.872 114.554 -0.176 0.000 3.105 405 T HA 0.211 4.556 4.350 -0.009 0.000 0.257 405 T C 1.800 176.406 174.700 -0.157 0.000 0.949 405 T CA 0.676 62.744 62.100 -0.053 0.000 0.959 405 T CB -0.273 68.706 68.868 0.186 0.000 1.205 405 T HN -0.167 nan 8.240 nan 0.000 0.496 406 A N 1.594 124.303 122.820 -0.185 0.000 2.225 406 A HA 0.017 4.332 4.320 -0.009 0.000 0.215 406 A C 2.022 179.499 177.584 -0.178 0.000 1.164 406 A CA 1.037 52.916 52.037 -0.263 0.000 0.710 406 A CB -0.715 18.146 19.000 -0.232 0.000 0.780 406 A HN 0.677 nan 8.150 nan 0.000 0.473 407 Q N -1.820 117.833 119.800 -0.245 0.000 2.247 407 Q HA 0.275 4.610 4.340 -0.009 0.000 0.211 407 Q C 1.077 176.853 176.000 -0.373 0.000 0.861 407 Q CA 0.208 55.889 55.803 -0.204 0.000 0.949 407 Q CB 0.406 29.035 28.738 -0.181 0.000 1.115 407 Q HN 0.763 nan 8.270 nan 0.000 0.507 408 G N 2.785 111.124 108.800 -0.768 0.000 2.212 408 G HA2 -0.355 3.600 3.960 -0.009 0.000 0.267 408 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.267 408 G C 0.311 174.735 174.900 -0.792 0.000 1.002 408 G CA 1.060 45.187 45.100 -1.621 0.000 0.729 408 G HN 0.697 nan 8.290 nan 0.000 0.517 409 N N -1.753 116.708 118.700 -0.399 0.000 2.177 409 N HA 0.262 4.997 4.740 -0.009 0.000 0.218 409 N C 1.110 176.613 175.510 -0.011 0.000 1.182 409 N CA 0.026 52.991 53.050 -0.140 0.000 0.882 409 N CB 0.324 38.761 38.487 -0.084 0.000 1.052 409 N HN 0.534 nan 8.380 nan 0.000 0.519 410 Q N -0.364 119.420 119.800 -0.026 0.000 2.282 410 Q HA 0.263 4.598 4.340 -0.009 0.000 0.193 410 Q C -0.676 175.524 176.000 0.334 0.000 0.742 410 Q CA -0.574 55.320 55.803 0.153 0.000 0.560 410 Q CB 0.373 29.108 28.738 -0.005 0.000 2.766 410 Q HN 0.150 nan 8.270 nan 0.000 0.318 411 W N 1.712 123.074 121.300 0.103 0.000 2.253 411 W HA 0.246 4.900 4.660 -0.008 0.000 0.348 411 W C 0.544 177.160 176.519 0.162 0.000 1.229 411 W CA -0.686 56.705 57.345 0.076 0.000 1.335 411 W CB -0.054 29.385 29.460 -0.035 0.000 1.165 411 W HN 0.466 nan 8.180 nan 0.000 0.631 412 D N 0.155 120.777 120.400 0.370 0.000 2.271 412 D HA 0.279 4.914 4.640 -0.009 0.000 0.206 412 D C 0.634 177.020 176.300 0.144 0.000 0.967 412 D CA 0.962 55.111 54.000 0.249 0.000 0.867 412 D CB 0.757 41.588 40.800 0.053 0.000 0.960 412 D HN 0.272 nan 8.370 nan 0.000 0.509 413 A N -0.422 122.479 122.820 0.135 0.000 2.457 413 A HA 0.729 5.044 4.320 -0.009 0.000 0.305 413 A C -1.667 175.961 177.584 0.074 0.000 1.110 413 A CA -0.001 52.047 52.037 0.018 0.000 0.616 413 A CB 0.745 19.667 19.000 -0.130 0.000 1.371 413 A HN 0.120 nan 8.150 nan 0.000 0.525 414 A N -0.810 121.995 122.820 -0.025 0.000 2.602 414 A HA 0.818 5.133 4.320 -0.009 0.000 0.290 414 A C -0.096 177.468 177.584 -0.034 0.000 1.114 414 A CA 0.221 52.268 52.037 0.018 0.000 0.683 414 A CB 0.412 19.593 19.000 0.301 0.000 1.281 414 A HN 2.254 nan 8.150 nan 0.000 0.416 415 T N -0.041 114.525 114.554 0.019 0.000 2.784 415 T HA 0.152 4.496 4.350 -0.009 0.000 0.291 415 T C 0.173 174.866 174.700 -0.011 0.000 0.942 415 T CA -0.107 62.018 62.100 0.041 0.000 1.161 415 T CB -0.146 68.821 68.868 0.165 0.000 0.885 415 T HN 0.484 nan 8.240 nan 0.000 0.534 416 N N 2.474 121.029 118.700 -0.242 0.000 3.115 416 N HA 0.162 4.897 4.740 -0.009 0.000 0.305 416 N C 0.344 175.751 175.510 -0.172 0.000 1.305 416 N CA -0.830 52.130 53.050 -0.150 0.000 1.154 416 N CB -0.993 37.400 38.487 -0.156 0.000 1.454 416 N HN 0.675 nan 8.380 nan 0.000 0.551 417 F N -0.182 119.677 119.950 -0.151 0.000 2.095 417 F HA -0.157 4.365 4.527 -0.008 0.000 0.298 417 F C 2.169 178.085 175.800 0.193 0.000 1.104 417 F CA 1.159 59.098 58.000 -0.102 0.000 1.232 417 F CB -0.129 38.746 39.000 -0.209 0.000 0.987 417 F HN 0.246 nan 8.300 nan 0.000 0.475 418 D N -0.710 119.982 120.400 0.487 0.000 2.194 418 D HA -0.038 4.597 4.640 -0.009 0.000 0.204 418 D C 2.239 178.857 176.300 0.531 0.000 0.964 418 D CA 1.272 55.589 54.000 0.529 0.000 0.846 418 D CB -0.318 40.765 40.800 0.471 0.000 0.962 418 D HN 0.194 nan 8.370 nan 0.000 0.490 419 G N -2.307 106.735 108.800 0.403 0.000 3.126 419 G HA2 0.112 4.067 3.960 -0.009 0.000 0.224 419 G HA3 0.112 4.067 3.960 -0.009 0.000 0.224 419 G C 0.615 175.690 174.900 0.293 0.000 1.142 419 G CA -0.050 45.272 45.100 0.370 0.000 0.759 419 G HN 0.317 nan 8.290 nan 0.000 0.550 420 F N -0.431 119.527 119.950 0.015 0.000 1.832 420 F HA 0.132 4.654 4.527 -0.008 0.000 0.236 420 F C 2.376 178.126 175.800 -0.083 0.000 1.180 420 F CA 1.063 59.034 58.000 -0.048 0.000 1.297 420 F CB -0.157 38.784 39.000 -0.097 0.000 1.748 420 F HN -0.027 nan 8.300 nan 0.000 0.453 421 T N 0.859 115.401 114.554 -0.020 0.000 2.624 421 T HA -0.284 4.061 4.350 -0.009 0.000 0.268 421 T C 1.605 176.337 174.700 0.052 0.000 1.041 421 T CA 2.320 64.387 62.100 -0.056 0.000 1.159 421 T CB -0.424 68.357 68.868 -0.145 0.000 0.863 421 T HN 0.248 nan 8.240 nan 0.000 0.434 422 Q N 1.368 121.263 119.800 0.158 0.000 2.016 422 Q HA -0.029 4.306 4.340 -0.009 0.000 0.200 422 Q C -0.532 175.217 176.000 -0.418 0.000 0.978 422 Q CA 1.718 57.528 55.803 0.012 0.000 0.833 422 Q CB -1.041 27.808 28.738 0.186 0.000 0.895 422 Q HN 0.373 nan 8.270 nan 0.000 0.427 423 P HA -0.151 nan 4.420 nan 0.000 0.215 423 P C 1.231 178.289 177.300 -0.402 0.000 1.153 423 P CA 1.310 63.761 63.100 -1.082 0.000 0.853 423 P CB -0.040 30.864 31.700 -1.327 0.000 0.788 424 V N 0.531 120.259 119.914 -0.309 0.000 2.343 424 V HA -0.203 3.912 4.120 -0.009 0.000 0.247 424 V C 3.058 179.072 176.094 -0.133 0.000 1.051 424 V CA 2.422 64.552 62.300 -0.284 0.000 1.036 424 V CB -1.572 29.985 31.823 -0.444 0.000 0.654 424 V HN 0.255 nan 8.190 nan 0.000 0.451 425 S N -0.477 115.187 115.700 -0.061 0.000 2.356 425 S HA -0.227 4.238 4.470 -0.009 0.000 0.223 425 S C 1.955 176.491 174.600 -0.106 0.000 1.032 425 S CA 1.900 60.108 58.200 0.013 0.000 1.005 425 S CB -0.236 62.992 63.200 0.047 0.000 0.867 425 S HN 0.736 nan 8.310 nan 0.000 0.449 426 E N -0.976 119.133 120.200 -0.151 0.000 2.152 426 E HA -0.131 4.214 4.350 -0.009 0.000 0.192 426 E C 1.678 178.223 176.600 -0.092 0.000 0.983 426 E CA 0.973 57.304 56.400 -0.115 0.000 0.818 426 E CB -0.195 29.455 29.700 -0.084 0.000 0.758 426 E HN 0.745 nan 8.360 nan 0.000 0.467 427 W N 1.367 122.420 121.300 -0.412 0.000 2.407 427 W HA -0.021 4.634 4.660 -0.009 0.000 0.305 427 W C 1.725 178.025 176.519 -0.364 0.000 1.196 427 W CA 1.045 58.084 57.345 -0.511 0.000 1.311 427 W CB -0.157 28.597 29.460 -1.177 0.000 1.135 427 W HN -0.108 nan 8.180 nan 0.000 0.514 428 I N -0.139 120.213 120.570 -0.363 0.000 2.400 428 I HA -0.167 3.998 4.170 -0.009 0.000 0.248 428 I C 2.385 178.328 176.117 -0.290 0.000 1.109 428 I CA 1.835 62.904 61.300 -0.385 0.000 1.425 428 I CB -0.837 37.101 38.000 -0.102 0.000 1.094 428 I HN 0.051 nan 8.210 nan 0.000 0.425 429 T N -2.556 111.843 114.554 -0.258 0.000 3.022 429 T HA 0.260 4.605 4.350 -0.009 0.000 0.250 429 T C 1.564 176.140 174.700 -0.206 0.000 1.060 429 T CA 0.505 62.431 62.100 -0.291 0.000 1.013 429 T CB 0.589 69.205 68.868 -0.420 0.000 0.982 429 T HN 0.475 nan 8.240 nan 0.000 0.508 430 G N 1.760 110.460 108.800 -0.167 0.000 2.160 430 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.251 430 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.251 430 G C -0.154 174.691 174.900 -0.093 0.000 1.008 430 G CA 0.283 45.317 45.100 -0.111 0.000 0.724 430 G HN 0.675 nan 8.290 nan 0.000 0.514 431 K N 0.454 120.787 120.400 -0.111 0.000 2.435 431 K HA 0.501 4.815 4.320 -0.009 0.000 0.251 431 K C -0.262 176.287 176.600 -0.086 0.000 0.954 431 K CA -0.491 55.742 56.287 -0.090 0.000 0.820 431 K CB 2.023 34.460 32.500 -0.105 0.000 1.292 431 K HN 0.276 nan 8.250 nan 0.000 0.436 432 D N -0.446 119.906 120.400 -0.080 0.000 2.411 432 D HA 0.003 4.638 4.640 -0.009 0.000 0.251 432 D C 1.034 177.288 176.300 -0.078 0.000 1.201 432 D CA -0.199 53.709 54.000 -0.152 0.000 0.996 432 D CB 0.058 40.735 40.800 -0.206 0.000 1.101 432 D HN 0.546 nan 8.370 nan 0.000 0.504 433 Y N -2.287 118.079 120.300 0.110 0.000 2.680 433 Y HA 0.067 4.612 4.550 -0.009 0.000 0.303 433 Y C 1.190 177.165 175.900 0.126 0.000 1.166 433 Y CA 0.314 58.491 58.100 0.128 0.000 1.344 433 Y CB -0.840 37.742 38.460 0.202 0.000 1.002 433 Y HN 0.160 nan 8.280 nan 0.000 0.537 434 Q N 1.060 121.039 119.800 0.298 0.000 2.280 434 Q HA 0.041 4.376 4.340 -0.009 0.000 0.201 434 Q C 0.064 176.130 176.000 0.109 0.000 0.890 434 Q CA 0.344 56.289 55.803 0.236 0.000 0.947 434 Q CB -0.313 28.551 28.738 0.211 0.000 1.081 434 Q HN 0.832 nan 8.270 nan 0.000 0.502 435 N N 0.991 119.730 118.700 0.065 0.000 2.818 435 N HA -0.123 4.611 4.740 -0.009 0.000 0.250 435 N C -0.918 174.590 175.510 -0.004 0.000 1.108 435 N CA -0.057 52.998 53.050 0.010 0.000 0.745 435 N CB -0.223 38.271 38.487 0.012 0.000 1.104 435 N HN 0.198 nan 8.380 nan 0.000 0.557 436 N N 0.375 119.073 118.700 -0.003 0.000 2.487 436 N HA 0.166 4.900 4.740 -0.009 0.000 0.292 436 N C -0.499 174.997 175.510 -0.024 0.000 1.108 436 N CA -0.146 52.899 53.050 -0.009 0.000 0.956 436 N CB 1.456 39.942 38.487 -0.003 0.000 1.176 436 N HN 0.065 nan 8.380 nan 0.000 0.484 437 S N 0.724 116.411 115.700 -0.022 0.000 2.544 437 S HA 0.351 4.816 4.470 -0.009 0.000 0.290 437 S C 0.084 174.674 174.600 -0.017 0.000 1.276 437 S CA -0.352 57.833 58.200 -0.025 0.000 1.075 437 S CB 0.084 63.272 63.200 -0.020 0.000 0.849 437 S HN 0.672 nan 8.310 nan 0.000 0.494 438 A N 2.893 125.701 122.820 -0.019 0.000 2.483 438 A HA 0.546 4.861 4.320 -0.009 0.000 0.298 438 A C -0.378 177.208 177.584 0.004 0.000 1.052 438 A CA -0.592 51.447 52.037 0.003 0.000 0.978 438 A CB 0.888 19.892 19.000 0.007 0.000 1.506 438 A HN 0.595 nan 8.150 nan 0.000 0.388 439 S N 2.223 117.935 115.700 0.019 0.000 2.532 439 S HA 0.920 5.385 4.470 -0.009 0.000 0.301 439 S C -0.268 174.376 174.600 0.074 0.000 1.083 439 S CA -0.456 57.757 58.200 0.020 0.000 1.025 439 S CB 0.776 63.974 63.200 -0.003 0.000 1.056 439 S HN 1.476 nan 8.310 nan 0.000 0.494 440 I N 0.811 121.441 120.570 0.100 0.000 2.828 440 I HA 0.711 4.876 4.170 -0.009 0.000 0.302 440 I C -0.028 176.210 176.117 0.201 0.000 1.101 440 I CA -0.956 60.441 61.300 0.163 0.000 1.031 440 I CB 2.088 40.228 38.000 0.232 0.000 1.231 440 I HN 0.638 nan 8.210 nan 0.000 0.427 441 S N 2.081 117.892 115.700 0.184 0.000 2.661 441 S HA 0.295 4.760 4.470 -0.009 0.000 0.265 441 S C 0.867 175.610 174.600 0.238 0.000 1.225 441 S CA 0.053 58.376 58.200 0.205 0.000 0.986 441 S CB 1.170 64.449 63.200 0.131 0.000 1.008 441 S HN 0.747 nan 8.310 nan 0.000 0.565 442 T N 1.421 116.130 114.554 0.259 0.000 2.821 442 T HA -0.083 4.262 4.350 -0.009 0.000 0.267 442 T C 2.133 176.776 174.700 -0.096 0.000 1.046 442 T CA 1.891 64.038 62.100 0.078 0.000 1.139 442 T CB -1.069 67.952 68.868 0.254 0.000 0.871 442 T HN 0.935 nan 8.240 nan 0.000 0.454 443 T N 1.096 115.662 114.554 0.020 0.000 2.821 443 T HA -0.105 4.240 4.350 -0.009 0.000 0.267 443 T C 1.960 176.663 174.700 0.004 0.000 1.046 443 T CA 0.893 63.000 62.100 0.013 0.000 1.139 443 T CB -0.387 68.514 68.868 0.056 0.000 0.871 443 T HN 0.382 nan 8.240 nan 0.000 0.454 444 Q N -0.135 119.695 119.800 0.050 0.000 2.079 444 Q HA 0.072 4.407 4.340 -0.009 0.000 0.200 444 Q C 1.968 178.043 176.000 0.125 0.000 0.974 444 Q CA 1.302 57.169 55.803 0.106 0.000 0.840 444 Q CB -0.353 28.482 28.738 0.163 0.000 0.898 444 Q HN 0.650 nan 8.270 nan 0.000 0.430 445 F N 1.780 121.596 119.950 -0.225 0.000 2.065 445 F HA -0.322 4.199 4.527 -0.009 0.000 0.298 445 F C 1.978 177.512 175.800 -0.444 0.000 1.112 445 F CA 1.827 59.533 58.000 -0.490 0.000 1.212 445 F CB -0.014 38.289 39.000 -1.161 0.000 0.975 445 F HN 0.108 nan 8.300 nan 0.000 0.476 446 D N -0.656 119.390 120.400 -0.590 0.000 2.144 446 D HA -0.224 4.411 4.640 -0.009 0.000 0.199 446 D C 2.252 178.467 176.300 -0.141 0.000 0.984 446 D CA 1.513 55.246 54.000 -0.444 0.000 0.834 446 D CB -0.223 40.450 40.800 -0.211 0.000 0.955 446 D HN 0.262 nan 8.370 nan 0.000 0.465 447 S N -1.099 114.571 115.700 -0.051 0.000 2.371 447 S HA -0.123 4.341 4.470 -0.009 0.000 0.224 447 S C 1.758 176.396 174.600 0.064 0.000 1.029 447 S CA 0.870 59.080 58.200 0.017 0.000 0.978 447 S CB -0.660 62.557 63.200 0.028 0.000 0.833 447 S HN 0.543 nan 8.310 nan 0.000 0.466 448 W N 2.229 123.451 121.300 -0.131 0.000 2.335 448 W HA -0.070 4.585 4.660 -0.008 0.000 0.311 448 W C 1.782 178.227 176.519 -0.123 0.000 1.213 448 W CA 1.108 58.393 57.345 -0.099 0.000 1.274 448 W CB -1.068 28.349 29.460 -0.071 0.000 1.148 448 W HN 0.346 nan 8.180 nan 0.000 0.498 449 L N 0.178 121.430 121.223 0.047 0.000 2.012 449 L HA -0.241 4.094 4.340 -0.009 0.000 0.210 449 L C 2.830 179.715 176.870 0.024 0.000 1.073 449 L CA 2.029 56.835 54.840 -0.057 0.000 0.748 449 L CB -1.035 40.801 42.059 -0.371 0.000 0.891 449 L HN -0.086 nan 8.230 nan 0.000 0.431 450 R N 0.244 120.737 120.500 -0.012 0.000 2.073 450 R HA -0.139 4.196 4.340 -0.009 0.000 0.234 450 R C 2.272 178.570 176.300 -0.004 0.000 1.134 450 R CA 1.551 57.645 56.100 -0.011 0.000 0.952 450 R CB -0.544 29.765 30.300 0.016 0.000 0.850 450 R HN 0.374 nan 8.270 nan 0.000 0.433 451 G N -0.532 108.272 108.800 0.006 0.000 2.422 451 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.218 451 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.218 451 G C 1.457 176.356 174.900 -0.001 0.000 1.146 451 G CA 1.328 46.412 45.100 -0.026 0.000 0.769 451 G HN 0.570 nan 8.290 nan 0.000 0.547 452 T N -1.308 113.303 114.554 0.094 0.000 2.942 452 T HA 0.068 4.413 4.350 -0.009 0.000 0.265 452 T C 2.291 177.089 174.700 0.164 0.000 1.062 452 T CA 0.609 62.799 62.100 0.150 0.000 1.139 452 T CB -0.159 68.902 68.868 0.321 0.000 0.883 452 T HN 0.257 nan 8.240 nan 0.000 0.468 453 R N 1.349 121.933 120.500 0.139 0.000 2.081 453 R HA 0.148 4.483 4.340 -0.009 0.000 0.235 453 R C 2.870 179.232 176.300 0.104 0.000 1.131 453 R CA 1.255 57.438 56.100 0.137 0.000 0.960 453 R CB -0.682 29.619 30.300 0.002 0.000 0.856 453 R HN 0.519 nan 8.270 nan 0.000 0.436 454 A N 1.466 124.292 122.820 0.010 0.000 2.125 454 A HA -0.128 4.187 4.320 -0.009 0.000 0.219 454 A C 1.466 179.024 177.584 -0.044 0.000 1.156 454 A CA 1.119 53.130 52.037 -0.042 0.000 0.671 454 A CB -0.325 18.599 19.000 -0.127 0.000 0.794 454 A HN 0.258 nan 8.150 nan 0.000 0.459 455 N N -1.133 117.473 118.700 -0.158 0.000 2.459 455 N HA 0.009 4.744 4.740 -0.009 0.000 0.181 455 N C -0.459 174.757 175.510 -0.491 0.000 1.046 455 N CA 0.766 53.585 53.050 -0.386 0.000 0.904 455 N CB -0.125 37.941 38.487 -0.702 0.000 0.964 455 N HN 0.648 nan 8.380 nan 0.000 0.444 456 Y N -0.463 119.845 120.300 0.013 0.000 2.562 456 Y HA 0.466 5.011 4.550 -0.008 0.000 0.343 456 Y C -2.147 173.672 175.900 -0.136 0.000 1.025 456 Y CA -2.593 55.444 58.100 -0.105 0.000 1.082 456 Y CB 1.205 39.645 38.460 -0.034 0.000 1.264 456 Y HN -0.203 nan 8.280 nan 0.000 0.478 457 P HA 0.082 nan 4.420 nan 0.000 0.272 457 P C 0.451 177.819 177.300 0.112 0.000 1.230 457 P CA 0.152 63.240 63.100 -0.020 0.000 0.788 457 P CB 0.754 32.455 31.700 0.001 0.000 0.949 458 T N 0.243 114.886 114.554 0.147 0.000 2.684 458 T HA -0.181 4.163 4.350 -0.009 0.000 0.267 458 T C 1.448 176.136 174.700 -0.019 0.000 1.036 458 T CA 2.127 64.275 62.100 0.081 0.000 1.148 458 T CB -1.137 67.788 68.868 0.095 0.000 0.863 458 T HN 0.648 nan 8.240 nan 0.000 0.436 459 N N 1.054 119.716 118.700 -0.064 0.000 2.223 459 N HA -0.088 4.647 4.740 -0.009 0.000 0.185 459 N C 1.740 177.138 175.510 -0.186 0.000 1.016 459 N CA 0.766 53.713 53.050 -0.172 0.000 0.863 459 N CB -0.444 37.864 38.487 -0.298 0.000 0.983 459 N HN 0.183 nan 8.380 nan 0.000 0.429 460 V N 1.334 121.182 119.914 -0.109 0.000 2.307 460 V HA -0.215 3.899 4.120 -0.009 0.000 0.245 460 V C 2.617 178.603 176.094 -0.180 0.000 1.045 460 V CA 1.623 63.864 62.300 -0.099 0.000 1.024 460 V CB -0.781 31.059 31.823 0.029 0.000 0.651 460 V HN 0.337 nan 8.190 nan 0.000 0.449 461 Q N -0.173 119.556 119.800 -0.118 0.000 2.062 461 Q HA -0.327 4.008 4.340 -0.009 0.000 0.209 461 Q C 2.290 178.165 176.000 -0.208 0.000 0.996 461 Q CA 2.242 57.958 55.803 -0.145 0.000 0.859 461 Q CB -0.284 28.413 28.738 -0.067 0.000 0.920 461 Q HN 0.697 nan 8.270 nan 0.000 0.415 462 Q N -0.448 119.240 119.800 -0.187 0.000 2.364 462 Q HA -0.051 4.284 4.340 -0.009 0.000 0.209 462 Q C 1.323 177.188 176.000 -0.226 0.000 0.977 462 Q CA 0.973 56.654 55.803 -0.204 0.000 0.885 462 Q CB 0.265 28.900 28.738 -0.171 0.000 0.941 462 Q HN 0.144 nan 8.270 nan 0.000 0.464 463 S N -0.514 115.044 115.700 -0.238 0.000 2.539 463 S HA 0.174 4.639 4.470 -0.009 0.000 0.221 463 S C 0.363 174.814 174.600 -0.248 0.000 0.987 463 S CA -0.192 57.854 58.200 -0.257 0.000 0.929 463 S CB 0.355 63.395 63.200 -0.266 0.000 0.832 463 S HN 0.227 nan 8.310 nan 0.000 0.492 464 M N 1.809 121.252 119.600 -0.261 0.000 2.252 464 M HA 0.180 4.654 4.480 -0.009 0.000 0.333 464 M C 0.088 176.234 176.300 -0.257 0.000 1.111 464 M CA 0.410 55.550 55.300 -0.266 0.000 1.140 464 M CB -0.293 32.133 32.600 -0.290 0.000 1.538 464 M HN 0.239 nan 8.290 nan 0.000 0.448 465 M N 4.395 123.861 119.600 -0.224 0.000 2.201 465 M HA 0.138 4.613 4.480 -0.009 0.000 0.345 465 M C -0.816 175.295 176.300 -0.315 0.000 1.352 465 M CA -0.172 55.019 55.300 -0.182 0.000 1.218 465 M CB -0.170 32.385 32.600 -0.074 0.000 1.512 465 M HN 0.399 nan 8.290 nan 0.000 0.447 466 N N 7.189 125.602 118.700 -0.480 0.000 2.558 466 N HA 0.325 5.060 4.740 -0.009 0.000 0.233 466 N C -1.405 173.700 175.510 -0.675 0.000 1.038 466 N CA -0.026 52.426 53.050 -0.997 0.000 0.934 466 N CB 0.191 37.672 38.487 -1.676 0.000 1.175 466 N HN 0.489 nan 8.380 nan 0.000 0.512 467 F N -1.060 118.755 119.950 -0.225 0.000 2.492 467 F HA 0.533 5.055 4.527 -0.009 0.000 0.327 467 F C 0.968 176.896 175.800 0.213 0.000 1.079 467 F CA -1.142 56.842 58.000 -0.026 0.000 0.967 467 F CB 1.165 40.089 39.000 -0.127 0.000 1.169 467 F HN 0.026 nan 8.300 nan 0.000 0.472 468 L N 0.772 122.217 121.223 0.370 0.000 2.179 468 L HA 0.144 4.479 4.340 -0.009 0.000 0.208 468 L C 0.217 177.281 176.870 0.323 0.000 1.096 468 L CA 0.755 55.737 54.840 0.236 0.000 0.779 468 L CB -0.340 41.703 42.059 -0.026 0.000 0.922 468 L HN 0.758 nan 8.230 nan 0.000 0.443 469 S N -0.874 115.033 115.700 0.345 0.000 2.656 469 S HA 0.582 5.047 4.470 -0.009 0.000 0.273 469 S C -1.228 173.288 174.600 -0.139 0.000 1.168 469 S CA -0.946 57.381 58.200 0.211 0.000 0.817 469 S CB 2.182 65.520 63.200 0.229 0.000 1.146 469 S HN 0.310 nan 8.310 nan 0.000 0.475 470 N N -0.513 117.836 118.700 -0.584 0.000 3.116 470 N HA 0.151 4.886 4.740 -0.009 0.000 0.244 470 N C 0.091 174.966 175.510 -1.059 0.000 1.485 470 N CA -0.628 51.613 53.050 -1.349 0.000 0.884 470 N CB -0.220 37.538 38.487 -1.215 0.000 1.415 470 N HN 0.744 nan 8.380 nan 0.000 0.524 471 H N -1.226 117.266 119.070 -0.963 0.000 2.566 471 H HA 0.079 4.630 4.556 -0.008 0.000 0.285 471 H C -0.705 174.568 175.328 -0.091 0.000 1.041 471 H CA 1.029 56.928 56.048 -0.248 0.000 1.207 471 H CB -0.262 29.574 29.762 0.124 0.000 1.353 471 H HN 0.524 nan 8.280 nan 0.000 0.604 472 D N 0.636 120.768 120.400 -0.447 0.000 2.469 472 D HA 0.221 4.856 4.640 -0.009 0.000 0.213 472 D C 1.075 177.410 176.300 0.060 0.000 1.135 472 D CA 0.053 53.954 54.000 -0.165 0.000 0.834 472 D CB 1.091 41.862 40.800 -0.048 0.000 1.009 472 D HN 0.571 nan 8.370 nan 0.000 0.507 473 I N -2.454 118.114 120.570 -0.004 0.000 3.191 473 I HA 0.439 4.604 4.170 -0.009 0.000 0.313 473 I C 0.130 176.296 176.117 0.082 0.000 1.193 473 I CA -1.079 60.282 61.300 0.102 0.000 0.968 473 I CB 1.779 39.839 38.000 0.101 0.000 1.262 473 I HN -0.273 nan 8.210 nan 0.000 0.456 474 T N 0.293 114.924 114.554 0.129 0.000 2.900 474 T HA 0.310 4.655 4.350 -0.009 0.000 0.307 474 T C 0.400 175.155 174.700 0.092 0.000 1.065 474 T CA -0.609 61.544 62.100 0.089 0.000 1.105 474 T CB 0.544 69.458 68.868 0.077 0.000 0.979 474 T HN 0.536 nan 8.240 nan 0.000 0.544 475 R N 1.382 121.920 120.500 0.062 0.000 2.537 475 R HA 0.119 4.454 4.340 -0.009 0.000 0.280 475 R C 0.941 177.293 176.300 0.086 0.000 1.058 475 R CA -0.281 55.865 56.100 0.078 0.000 1.057 475 R CB -0.152 30.152 30.300 0.006 0.000 0.973 475 R HN 0.848 nan 8.270 nan 0.000 0.438 476 F N 2.599 122.560 119.950 0.018 0.000 2.126 476 F HA -0.241 4.281 4.527 -0.008 0.000 0.299 476 F C 2.029 177.812 175.800 -0.028 0.000 1.096 476 F CA 2.159 60.164 58.000 0.008 0.000 1.255 476 F CB -0.027 38.987 39.000 0.025 0.000 0.997 476 F HN 0.689 nan 8.300 nan 0.000 0.479 477 A N -1.207 121.672 122.820 0.099 0.000 2.070 477 A HA -0.144 4.170 4.320 -0.009 0.000 0.220 477 A C 2.148 179.679 177.584 -0.089 0.000 1.159 477 A CA 2.107 54.144 52.037 -0.000 0.000 0.656 477 A CB -1.184 17.816 19.000 0.001 0.000 0.800 477 A HN 0.432 nan 8.150 nan 0.000 0.453 478 T N -0.857 113.645 114.554 -0.087 0.000 2.894 478 T HA -0.030 4.314 4.350 -0.009 0.000 0.258 478 T C 2.051 176.671 174.700 -0.133 0.000 1.043 478 T CA 1.095 63.144 62.100 -0.085 0.000 1.141 478 T CB -0.147 68.692 68.868 -0.047 0.000 0.873 478 T HN 0.507 nan 8.240 nan 0.000 0.449 479 R N 1.556 121.941 120.500 -0.192 0.000 2.152 479 R HA -0.044 4.290 4.340 -0.009 0.000 0.232 479 R C 2.525 178.633 176.300 -0.320 0.000 1.117 479 R CA 1.540 57.493 56.100 -0.245 0.000 0.981 479 R CB -0.217 29.903 30.300 -0.299 0.000 0.870 479 R HN 0.403 nan 8.270 nan 0.000 0.451 480 S N -0.723 114.735 115.700 -0.403 0.000 2.603 480 S HA 0.096 4.561 4.470 -0.009 0.000 0.220 480 S C 1.253 175.727 174.600 -0.210 0.000 0.967 480 S CA 0.277 58.260 58.200 -0.361 0.000 0.920 480 S CB 0.549 63.514 63.200 -0.392 0.000 0.773 480 S HN 0.470 nan 8.310 nan 0.000 0.529 481 G N 0.788 109.492 108.800 -0.161 0.000 2.198 481 G HA2 0.056 4.010 3.960 -0.009 0.000 0.260 481 G HA3 0.056 4.010 3.960 -0.009 0.000 0.260 481 G C 1.047 175.898 174.900 -0.081 0.000 1.025 481 G CA 0.285 45.323 45.100 -0.105 0.000 0.769 481 G HN 1.841 nan 8.290 nan 0.000 0.507 482 G N -0.881 107.869 108.800 -0.083 0.000 2.162 482 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.260 482 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.260 482 G C 0.233 175.101 174.900 -0.054 0.000 0.976 482 G CA 0.982 46.048 45.100 -0.057 0.000 0.655 482 G HN 1.461 nan 8.290 nan 0.000 0.533 483 D N 0.463 120.819 120.400 -0.073 0.000 2.374 483 D HA 0.354 4.989 4.640 -0.009 0.000 0.240 483 D C 1.592 177.834 176.300 -0.096 0.000 1.229 483 D CA -0.630 53.338 54.000 -0.054 0.000 0.895 483 D CB 0.518 41.270 40.800 -0.080 0.000 1.046 483 D HN 0.030 nan 8.370 nan 0.000 0.498 484 L N 4.480 125.608 121.223 -0.158 0.000 2.187 484 L HA -0.046 4.289 4.340 -0.009 0.000 0.213 484 L C 1.354 177.733 176.870 -0.818 0.000 1.100 484 L CA 1.507 56.101 54.840 -0.410 0.000 0.765 484 L CB -0.425 41.352 42.059 -0.469 0.000 0.904 484 L HN 0.532 nan 8.230 nan 0.000 0.437 485 W N -0.167 120.775 121.300 -0.596 0.000 2.425 485 W HA -0.136 4.519 4.660 -0.008 0.000 0.277 485 W C 2.441 178.862 176.519 -0.163 0.000 1.231 485 W CA 0.992 58.052 57.345 -0.475 0.000 1.248 485 W CB -0.271 29.112 29.460 -0.129 0.000 1.117 485 W HN 0.033 nan 8.180 nan 0.000 0.568 486 K N -0.750 119.636 120.400 -0.023 0.000 2.148 486 K HA -0.080 4.235 4.320 -0.009 0.000 0.204 486 K C 1.876 178.629 176.600 0.255 0.000 1.050 486 K CA 1.596 57.894 56.287 0.019 0.000 0.942 486 K CB -0.464 31.966 32.500 -0.118 0.000 0.724 486 K HN 0.029 nan 8.250 nan 0.000 0.446 487 T N 0.538 115.199 114.554 0.178 0.000 2.777 487 T HA -0.097 4.248 4.350 -0.009 0.000 0.266 487 T C 1.574 176.389 174.700 0.192 0.000 1.040 487 T CA 1.028 63.234 62.100 0.177 0.000 1.141 487 T CB -0.269 68.670 68.868 0.117 0.000 0.868 487 T HN 0.285 nan 8.240 nan 0.000 0.444 488 Y N 0.546 120.909 120.300 0.104 0.000 2.097 488 Y HA -0.172 4.373 4.550 -0.008 0.000 0.282 488 Y C 2.479 178.489 175.900 0.183 0.000 1.152 488 Y CA 0.330 58.513 58.100 0.138 0.000 1.136 488 Y CB -0.386 38.207 38.460 0.223 0.000 0.975 488 Y HN 0.114 nan 8.280 nan 0.000 0.498 489 L N 0.607 122.082 121.223 0.420 0.000 2.012 489 L HA -0.238 4.097 4.340 -0.009 0.000 0.210 489 L C 2.509 179.547 176.870 0.280 0.000 1.073 489 L CA 2.020 57.064 54.840 0.339 0.000 0.748 489 L CB -1.015 41.227 42.059 0.305 0.000 0.891 489 L HN 0.166 nan 8.230 nan 0.000 0.431 490 A N -0.712 122.207 122.820 0.166 0.000 1.908 490 A HA -0.196 4.119 4.320 -0.009 0.000 0.218 490 A C 2.274 179.940 177.584 0.137 0.000 1.181 490 A CA 2.073 54.132 52.037 0.036 0.000 0.627 490 A CB -0.933 17.735 19.000 -0.553 0.000 0.818 490 A HN 0.513 nan 8.150 nan 0.000 0.445 491 L N -0.594 120.696 121.223 0.111 0.000 2.046 491 L HA -0.188 4.147 4.340 -0.009 0.000 0.208 491 L C 2.497 179.477 176.870 0.183 0.000 1.077 491 L CA 1.310 56.232 54.840 0.137 0.000 0.747 491 L CB -0.546 41.588 42.059 0.125 0.000 0.896 491 L HN 0.388 nan 8.230 nan 0.000 0.432 492 I N -0.956 119.735 120.570 0.202 0.000 2.208 492 I HA -0.340 3.825 4.170 -0.009 0.000 0.245 492 I C 2.500 178.800 176.117 0.305 0.000 1.097 492 I CA 1.469 62.884 61.300 0.192 0.000 1.363 492 I CB -0.331 37.755 38.000 0.143 0.000 1.051 492 I HN 0.179 nan 8.210 nan 0.000 0.413 493 F N 1.553 121.667 119.950 0.274 0.000 2.084 493 F HA -0.242 4.280 4.527 -0.008 0.000 0.296 493 F C 2.686 178.723 175.800 0.394 0.000 1.111 493 F CA 1.864 60.093 58.000 0.382 0.000 1.224 493 F CB -0.611 38.613 39.000 0.373 0.000 0.991 493 F HN 0.008 nan 8.300 nan 0.000 0.471 494 Q N -0.288 119.688 119.800 0.293 0.000 2.045 494 Q HA -0.244 4.091 4.340 -0.009 0.000 0.206 494 Q C 2.001 178.047 176.000 0.077 0.000 0.991 494 Q CA 2.167 58.133 55.803 0.271 0.000 0.851 494 Q CB -0.182 28.766 28.738 0.350 0.000 0.911 494 Q HN 0.334 nan 8.270 nan 0.000 0.418 495 M N 0.016 119.677 119.600 0.101 0.000 2.630 495 M HA -0.042 4.433 4.480 -0.009 0.000 0.254 495 M C 1.480 177.827 176.300 0.077 0.000 1.092 495 M CA 1.278 56.622 55.300 0.073 0.000 1.087 495 M CB -0.403 32.247 32.600 0.084 0.000 1.453 495 M HN 0.334 nan 8.290 nan 0.000 0.509 496 T N -4.523 110.094 114.554 0.105 0.000 3.091 496 T HA 0.140 4.485 4.350 -0.009 0.000 0.277 496 T C 0.107 174.931 174.700 0.206 0.000 0.996 496 T CA -0.430 61.767 62.100 0.162 0.000 0.897 496 T CB -0.011 68.993 68.868 0.227 0.000 1.109 496 T HN 0.097 nan 8.240 nan 0.000 0.534 497 Y N 1.491 121.704 120.300 -0.145 0.000 2.496 497 Y HA 0.631 5.176 4.550 -0.009 0.000 0.325 497 Y C -0.139 175.675 175.900 -0.144 0.000 1.271 497 Y CA -2.049 55.899 58.100 -0.253 0.000 1.368 497 Y CB 1.101 39.154 38.460 -0.679 0.000 1.415 497 Y HN -0.051 nan 8.280 nan 0.000 0.527 498 V N 2.872 122.133 119.914 -1.088 0.000 2.432 498 V HA 0.591 4.705 4.120 -0.009 0.000 0.271 498 V C 0.287 176.044 176.094 -0.563 0.000 1.046 498 V CA 0.570 62.423 62.300 -0.746 0.000 0.945 498 V CB -0.142 31.185 31.823 -0.827 0.000 0.992 498 V HN 1.024 nan 8.190 nan 0.000 0.471 499 G N 3.577 112.172 108.800 -0.342 0.000 2.406 499 G HA2 -0.030 3.925 3.960 -0.009 0.000 0.680 499 G HA3 -0.030 3.925 3.960 -0.009 0.000 0.680 499 G C -0.484 174.260 174.900 -0.260 0.000 1.338 499 G CA -0.743 44.179 45.100 -0.296 0.000 0.941 499 G HN 0.625 nan 8.290 nan 0.000 0.633 500 T N 3.313 117.721 114.554 -0.243 0.000 2.761 500 T HA 0.436 4.781 4.350 -0.009 0.000 0.287 500 T C -2.162 172.418 174.700 -0.201 0.000 0.931 500 T CA -0.059 61.928 62.100 -0.187 0.000 1.164 500 T CB 0.866 69.638 68.868 -0.161 0.000 0.876 500 T HN 0.388 nan 8.240 nan 0.000 0.534 501 P HA 0.181 nan 4.420 nan 0.000 0.267 501 P C -0.464 176.803 177.300 -0.055 0.000 1.209 501 P CA -0.056 62.961 63.100 -0.138 0.000 0.763 501 P CB 0.401 32.072 31.700 -0.049 0.000 0.816 502 T N 5.000 119.527 114.554 -0.044 0.000 2.815 502 T HA 0.478 4.823 4.350 -0.009 0.000 0.289 502 T C 0.169 174.940 174.700 0.120 0.000 1.000 502 T CA -0.344 61.796 62.100 0.067 0.000 0.958 502 T CB 0.321 69.257 68.868 0.113 0.000 0.944 502 T HN 0.169 nan 8.240 nan 0.000 0.442 503 I N 3.738 124.374 120.570 0.110 0.000 2.297 503 I HA 0.237 4.402 4.170 -0.009 0.000 0.291 503 I C -0.443 175.636 176.117 -0.065 0.000 1.033 503 I CA -0.959 60.387 61.300 0.077 0.000 1.253 503 I CB 0.484 38.584 38.000 0.167 0.000 1.396 503 I HN 0.571 nan 8.210 nan 0.000 0.476 504 Y N 9.258 129.472 120.300 -0.144 0.000 2.480 504 Y HA 0.091 4.636 4.550 -0.009 0.000 0.341 504 Y C 0.173 175.880 175.900 -0.323 0.000 1.031 504 Y CA -1.422 56.550 58.100 -0.214 0.000 1.295 504 Y CB -0.140 38.230 38.460 -0.150 0.000 1.162 504 Y HN 0.479 nan 8.280 nan 0.000 0.523 505 Y N 5.121 124.960 120.300 -0.768 0.000 2.981 505 Y HA 0.182 4.727 4.550 -0.009 0.000 0.359 505 Y C 1.066 176.793 175.900 -0.288 0.000 1.271 505 Y CA 0.444 58.217 58.100 -0.545 0.000 1.617 505 Y CB -0.280 37.955 38.460 -0.375 0.000 1.154 505 Y HN 0.963 nan 8.280 nan 0.000 0.570 506 G N 2.859 111.600 108.800 -0.099 0.000 2.308 506 G HA2 -0.357 3.597 3.960 -0.009 0.000 0.221 506 G HA3 -0.357 3.597 3.960 -0.009 0.000 0.221 506 G C 0.726 175.157 174.900 -0.783 0.000 1.032 506 G CA 0.276 44.939 45.100 -0.728 0.000 0.623 506 G HN 0.611 nan 8.290 nan 0.000 0.506 507 D N 1.528 121.676 120.400 -0.419 0.000 2.221 507 D HA -0.034 4.601 4.640 -0.009 0.000 0.204 507 D C 2.481 178.718 176.300 -0.106 0.000 0.982 507 D CA 1.445 55.318 54.000 -0.213 0.000 0.857 507 D CB -0.086 40.684 40.800 -0.050 0.000 0.934 507 D HN 0.758 nan 8.370 nan 0.000 0.475 508 E N 0.404 120.599 120.200 -0.008 0.000 2.338 508 E HA -0.201 4.144 4.350 -0.009 0.000 0.197 508 E C 1.252 177.952 176.600 0.167 0.000 1.007 508 E CA 0.823 57.305 56.400 0.136 0.000 0.849 508 E CB -0.537 29.334 29.700 0.285 0.000 0.774 508 E HN 0.588 nan 8.360 nan 0.000 0.506 509 Y N -1.581 118.749 120.300 0.050 0.000 2.531 509 Y HA 0.614 5.159 4.550 -0.009 0.000 0.249 509 Y C 1.123 177.002 175.900 -0.036 0.000 1.168 509 Y CA -0.659 57.439 58.100 -0.003 0.000 1.226 509 Y CB 0.378 38.786 38.460 -0.087 0.000 1.177 509 Y HN 0.021 nan 8.280 nan 0.000 0.527 510 G N 1.380 110.131 108.800 -0.082 0.000 2.142 510 G HA2 -0.313 3.641 3.960 -0.009 0.000 0.225 510 G HA3 -0.313 3.641 3.960 -0.009 0.000 0.225 510 G C 0.119 174.928 174.900 -0.151 0.000 1.015 510 G CA 0.073 45.139 45.100 -0.056 0.000 0.716 510 G HN 0.579 nan 8.290 nan 0.000 0.508 511 M N 0.480 119.780 119.600 -0.500 0.000 2.251 511 M HA 0.237 4.712 4.480 -0.009 0.000 0.343 511 M C 0.747 176.918 176.300 -0.216 0.000 1.245 511 M CA 0.694 55.740 55.300 -0.424 0.000 1.061 511 M CB 0.263 32.411 32.600 -0.754 0.000 1.723 511 M HN 0.448 nan 8.290 nan 0.000 0.449 512 Q N 2.379 122.102 119.800 -0.129 0.000 2.169 512 Q HA 0.835 5.170 4.340 -0.009 0.000 0.234 512 Q C -0.421 175.522 176.000 -0.094 0.000 0.980 512 Q CA -0.722 55.030 55.803 -0.086 0.000 0.941 512 Q CB 2.073 30.781 28.738 -0.051 0.000 1.199 512 Q HN 0.951 nan 8.270 nan 0.000 0.496 513 G N -0.897 107.868 108.800 -0.058 0.000 2.270 513 G HA2 0.367 4.322 3.960 -0.009 0.000 0.295 513 G HA3 0.367 4.322 3.960 -0.009 0.000 0.295 513 G C -0.611 174.281 174.900 -0.014 0.000 1.732 513 G CA -0.420 44.649 45.100 -0.051 0.000 0.909 513 G HN 0.672 nan 8.290 nan 0.000 0.730 514 G N 0.201 109.007 108.800 0.009 0.000 2.735 514 G HA2 0.787 4.741 3.960 -0.009 0.000 0.192 514 G HA3 0.787 4.741 3.960 -0.009 0.000 0.192 514 G C 0.903 175.827 174.900 0.040 0.000 1.547 514 G CA 0.580 45.702 45.100 0.036 0.000 1.080 514 G HN 1.852 nan 8.290 nan 0.000 0.569 515 A N -0.564 122.293 122.820 0.063 0.000 2.351 515 A HA 0.436 4.751 4.320 -0.009 0.000 0.257 515 A C 0.327 177.934 177.584 0.038 0.000 1.087 515 A CA -0.107 51.967 52.037 0.061 0.000 0.798 515 A CB 0.150 19.196 19.000 0.076 0.000 1.033 515 A HN 0.621 nan 8.150 nan 0.000 0.488 516 D N 1.364 121.776 120.400 0.019 0.000 2.730 516 D HA -0.036 4.599 4.640 -0.009 0.000 0.225 516 D C -1.196 175.108 176.300 0.006 0.000 1.107 516 D CA -0.372 53.620 54.000 -0.012 0.000 0.837 516 D CB 0.703 41.498 40.800 -0.008 0.000 1.171 516 D HN 0.285 nan 8.370 nan 0.000 0.498 517 P HA 0.050 nan 4.420 nan 0.000 0.255 517 P C 0.448 177.604 177.300 -0.240 0.000 1.248 517 P CA -0.006 63.007 63.100 -0.144 0.000 0.807 517 P CB 0.404 32.021 31.700 -0.138 0.000 1.150 518 D N 1.514 121.776 120.400 -0.230 0.000 2.392 518 D HA -0.107 4.528 4.640 -0.009 0.000 0.228 518 D C 1.311 177.521 176.300 -0.151 0.000 1.003 518 D CA 0.702 54.560 54.000 -0.236 0.000 0.917 518 D CB -0.630 40.109 40.800 -0.101 0.000 0.890 518 D HN 0.396 nan 8.370 nan 0.000 0.532 519 N N -0.952 117.682 118.700 -0.112 0.000 2.270 519 N HA 0.052 4.786 4.740 -0.009 0.000 0.198 519 N C 0.380 175.848 175.510 -0.070 0.000 1.117 519 N CA -0.252 52.767 53.050 -0.051 0.000 0.845 519 N CB 0.391 38.889 38.487 0.017 0.000 0.980 519 N HN -0.063 nan 8.380 nan 0.000 0.486 520 R N 0.942 121.316 120.500 -0.209 0.000 2.816 520 R HA 0.252 4.587 4.340 -0.009 0.000 0.382 520 R C -0.438 175.678 176.300 -0.308 0.000 1.140 520 R CA -0.511 55.405 56.100 -0.307 0.000 1.050 520 R CB 0.505 30.384 30.300 -0.702 0.000 1.396 520 R HN 0.110 nan 8.270 nan 0.000 0.583 521 R N 1.100 121.422 120.500 -0.297 0.000 2.694 521 R HA 0.080 4.415 4.340 -0.009 0.000 0.268 521 R C 0.474 176.542 176.300 -0.386 0.000 1.061 521 R CA 0.138 56.007 56.100 -0.386 0.000 1.133 521 R CB 0.481 30.602 30.300 -0.298 0.000 1.020 521 R HN 0.198 nan 8.270 nan 0.000 0.475 522 S N 1.441 116.687 115.700 -0.757 0.000 2.572 522 S HA 0.057 4.521 4.470 -0.009 0.000 0.279 522 S C -0.134 174.316 174.600 -0.250 0.000 1.341 522 S CA -0.701 56.990 58.200 -0.848 0.000 1.043 522 S CB 0.433 62.498 63.200 -1.892 0.000 0.887 522 S HN 0.433 nan 8.310 nan 0.000 0.516 523 F N 2.144 122.124 119.950 0.050 0.000 2.504 523 F HA 0.220 4.742 4.527 -0.008 0.000 0.369 523 F C 0.548 176.434 175.800 0.143 0.000 1.082 523 F CA -0.471 57.635 58.000 0.176 0.000 1.216 523 F CB 0.489 39.593 39.000 0.174 0.000 1.108 523 F HN 0.684 nan 8.300 nan 0.000 0.554 524 D N 6.013 126.245 120.400 -0.281 0.000 2.422 524 D HA -0.004 4.631 4.640 -0.009 0.000 0.227 524 D C 0.402 176.438 176.300 -0.440 0.000 1.190 524 D CA -0.171 53.684 54.000 -0.241 0.000 0.905 524 D CB 0.110 40.671 40.800 -0.397 0.000 1.034 524 D HN 0.626 nan 8.370 nan 0.000 0.507 525 W N 1.983 123.385 121.300 0.171 0.000 2.525 525 W HA -0.136 4.519 4.660 -0.008 0.000 0.259 525 W C 2.506 178.977 176.519 -0.080 0.000 1.253 525 W CA 0.786 58.191 57.345 0.100 0.000 1.262 525 W CB -0.129 29.347 29.460 0.026 0.000 1.122 525 W HN 0.475 nan 8.180 nan 0.000 0.607 526 S N -0.760 114.952 115.700 0.020 0.000 2.507 526 S HA -0.144 4.321 4.470 -0.009 0.000 0.235 526 S C 1.526 176.039 174.600 -0.146 0.000 0.988 526 S CA 0.791 58.970 58.200 -0.035 0.000 0.944 526 S CB -0.171 63.007 63.200 -0.037 0.000 0.762 526 S HN 0.236 nan 8.310 nan 0.000 0.526 527 Q N 0.689 120.276 119.800 -0.355 0.000 2.356 527 Q HA 0.407 4.742 4.340 -0.009 0.000 0.205 527 Q C 0.977 176.839 176.000 -0.231 0.000 0.901 527 Q CA 0.608 56.135 55.803 -0.459 0.000 0.938 527 Q CB -0.022 28.020 28.738 -1.161 0.000 1.081 527 Q HN 0.676 nan 8.270 nan 0.000 0.517 528 A N 1.549 124.287 122.820 -0.137 0.000 3.029 528 A HA 0.264 4.579 4.320 -0.009 0.000 0.251 528 A C 0.188 177.863 177.584 0.152 0.000 1.749 528 A CA 0.396 52.428 52.037 -0.009 0.000 1.386 528 A CB -0.541 18.239 19.000 -0.366 0.000 1.043 528 A HN 0.048 nan 8.150 nan 0.000 0.638 529 T N -1.520 113.133 114.554 0.165 0.000 2.889 529 T HA 0.504 4.849 4.350 -0.009 0.000 0.315 529 T C -2.703 172.076 174.700 0.130 0.000 1.291 529 T CA -1.078 61.113 62.100 0.152 0.000 1.028 529 T CB 1.672 70.588 68.868 0.080 0.000 1.235 529 T HN -0.037 nan 8.240 nan 0.000 0.491 530 P HA 0.028 nan 4.420 nan 0.000 0.223 530 P C 1.366 178.698 177.300 0.054 0.000 1.144 530 P CA 0.753 63.900 63.100 0.078 0.000 0.783 530 P CB 0.147 31.883 31.700 0.061 0.000 0.771 531 S N -1.231 114.498 115.700 0.048 0.000 2.419 531 S HA -0.105 4.360 4.470 -0.009 0.000 0.233 531 S C 1.124 175.743 174.600 0.031 0.000 1.016 531 S CA 0.501 58.720 58.200 0.032 0.000 0.974 531 S CB -0.918 62.296 63.200 0.024 0.000 0.786 531 S HN 0.281 nan 8.310 nan 0.000 0.492 532 N N 1.590 120.316 118.700 0.042 0.000 2.470 532 N HA 0.035 4.770 4.740 -0.009 0.000 0.268 532 N C 1.118 176.666 175.510 0.063 0.000 1.136 532 N CA 0.393 53.473 53.050 0.050 0.000 0.961 532 N CB 1.307 39.828 38.487 0.058 0.000 1.067 532 N HN 0.242 nan 8.380 nan 0.000 0.468 533 S N 3.770 119.505 115.700 0.058 0.000 2.370 533 S HA -0.191 4.274 4.470 -0.009 0.000 0.226 533 S C 1.914 176.526 174.600 0.020 0.000 1.033 533 S CA 1.121 59.332 58.200 0.018 0.000 1.011 533 S CB -0.404 62.819 63.200 0.040 0.000 0.852 533 S HN 0.644 nan 8.310 nan 0.000 0.457 534 A N 1.259 124.179 122.820 0.167 0.000 1.930 534 A HA 0.127 4.441 4.320 -0.009 0.000 0.217 534 A C 2.405 180.071 177.584 0.136 0.000 1.175 534 A CA 1.435 53.593 52.037 0.201 0.000 0.627 534 A CB -0.973 18.174 19.000 0.244 0.000 0.815 534 A HN 0.451 nan 8.150 nan 0.000 0.443 535 V N -0.188 119.818 119.914 0.153 0.000 2.358 535 V HA -0.218 3.897 4.120 -0.009 0.000 0.246 535 V C 3.058 179.213 176.094 0.101 0.000 1.047 535 V CA 1.825 64.227 62.300 0.170 0.000 1.035 535 V CB -1.165 30.791 31.823 0.220 0.000 0.658 535 V HN 0.602 nan 8.190 nan 0.000 0.452 536 A N -0.138 122.719 122.820 0.061 0.000 1.908 536 A HA -0.220 4.095 4.320 -0.009 0.000 0.218 536 A C 2.171 179.754 177.584 -0.002 0.000 1.181 536 A CA 2.207 54.258 52.037 0.024 0.000 0.627 536 A CB -0.606 18.393 19.000 -0.001 0.000 0.818 536 A HN 0.451 nan 8.150 nan 0.000 0.445 537 L N -0.297 120.903 121.223 -0.039 0.000 2.046 537 L HA -0.102 4.233 4.340 -0.009 0.000 0.208 537 L C 2.478 179.352 176.870 0.007 0.000 1.077 537 L CA 2.801 57.607 54.840 -0.057 0.000 0.747 537 L CB -1.082 40.886 42.059 -0.153 0.000 0.896 537 L HN 0.377 nan 8.230 nan 0.000 0.432 538 T N -0.666 113.914 114.554 0.044 0.000 2.684 538 T HA -0.302 4.043 4.350 -0.009 0.000 0.267 538 T C 1.740 176.468 174.700 0.048 0.000 1.036 538 T CA 1.864 64.004 62.100 0.067 0.000 1.148 538 T CB -0.279 68.651 68.868 0.103 0.000 0.863 538 T HN 0.537 nan 8.240 nan 0.000 0.436 539 Q N 0.939 120.762 119.800 0.038 0.000 2.096 539 Q HA -0.198 4.137 4.340 -0.009 0.000 0.204 539 Q C 2.334 178.347 176.000 0.021 0.000 0.982 539 Q CA 1.732 57.547 55.803 0.020 0.000 0.850 539 Q CB -0.144 28.607 28.738 0.020 0.000 0.901 539 Q HN 0.476 nan 8.270 nan 0.000 0.422 540 K N 0.082 120.495 120.400 0.021 0.000 2.057 540 K HA -0.130 4.185 4.320 -0.009 0.000 0.207 540 K C 2.127 178.748 176.600 0.035 0.000 1.049 540 K CA 1.176 57.476 56.287 0.022 0.000 0.931 540 K CB -0.097 32.410 32.500 0.011 0.000 0.714 540 K HN 0.282 nan 8.250 nan 0.000 0.440 541 L N 0.778 122.023 121.223 0.036 0.000 2.093 541 L HA -0.140 4.194 4.340 -0.009 0.000 0.208 541 L C 2.359 179.265 176.870 0.059 0.000 1.085 541 L CA 0.950 55.821 54.840 0.051 0.000 0.755 541 L CB -0.278 41.814 42.059 0.054 0.000 0.904 541 L HN 0.220 nan 8.230 nan 0.000 0.435 542 I N -0.710 119.889 120.570 0.048 0.000 2.315 542 I HA -0.248 3.916 4.170 -0.009 0.000 0.248 542 I C 2.454 178.595 176.117 0.040 0.000 1.117 542 I CA 1.278 62.604 61.300 0.044 0.000 1.404 542 I CB -0.431 37.588 38.000 0.031 0.000 1.071 542 I HN 0.243 nan 8.210 nan 0.000 0.419 543 T N 1.213 115.787 114.554 0.034 0.000 2.708 543 T HA -0.103 4.242 4.350 -0.009 0.000 0.266 543 T C 1.929 176.656 174.700 0.045 0.000 1.037 543 T CA 1.320 63.435 62.100 0.025 0.000 1.146 543 T CB -0.212 68.667 68.868 0.019 0.000 0.865 543 T HN 0.228 nan 8.240 nan 0.000 0.435 544 I N 0.595 121.217 120.570 0.087 0.000 2.163 544 I HA -0.192 3.973 4.170 -0.009 0.000 0.243 544 I C 2.830 179.077 176.117 0.218 0.000 1.085 544 I CA 1.347 62.755 61.300 0.180 0.000 1.347 544 I CB -0.356 37.746 38.000 0.171 0.000 1.044 544 I HN 0.119 nan 8.210 nan 0.000 0.408 545 R N 1.203 121.785 120.500 0.137 0.000 2.081 545 R HA -0.161 4.173 4.340 -0.009 0.000 0.235 545 R C 1.946 178.298 176.300 0.087 0.000 1.131 545 R CA 1.904 58.076 56.100 0.121 0.000 0.960 545 R CB -0.262 30.082 30.300 0.074 0.000 0.856 545 R HN 0.475 nan 8.270 nan 0.000 0.436 546 N N -0.208 118.521 118.700 0.048 0.000 2.309 546 N HA -0.186 4.549 4.740 -0.009 0.000 0.182 546 N C 1.718 177.207 175.510 -0.035 0.000 1.018 546 N CA 0.635 53.693 53.050 0.013 0.000 0.876 546 N CB 0.046 38.537 38.487 0.007 0.000 0.972 546 N HN 0.352 nan 8.380 nan 0.000 0.434 547 Q N -0.017 119.736 119.800 -0.077 0.000 2.331 547 Q HA -0.031 4.304 4.340 -0.009 0.000 0.203 547 Q C -0.536 175.187 176.000 -0.461 0.000 0.944 547 Q CA 0.749 56.376 55.803 -0.293 0.000 0.892 547 Q CB 0.403 28.892 28.738 -0.414 0.000 0.983 547 Q HN 0.375 nan 8.270 nan 0.000 0.482 548 Y N -0.610 119.696 120.300 0.010 0.000 2.447 548 Y HA 0.311 4.857 4.550 -0.008 0.000 0.325 548 Y C -1.990 173.912 175.900 0.003 0.000 0.976 548 Y CA -2.485 55.620 58.100 0.009 0.000 1.280 548 Y CB 1.724 40.194 38.460 0.017 0.000 1.104 548 Y HN 0.100 nan 8.280 nan 0.000 0.486 549 P HA -0.229 nan 4.420 nan 0.000 0.219 549 P C 1.371 178.703 177.300 0.054 0.000 1.146 549 P CA 1.798 64.930 63.100 0.054 0.000 0.808 549 P CB 0.377 32.090 31.700 0.022 0.000 0.779 550 A N -0.730 122.145 122.820 0.091 0.000 2.019 550 A HA -0.151 4.163 4.320 -0.009 0.000 0.219 550 A C 2.041 179.652 177.584 0.045 0.000 1.164 550 A CA 1.287 53.355 52.037 0.052 0.000 0.644 550 A CB -1.488 17.559 19.000 0.077 0.000 0.805 550 A HN 0.175 nan 8.150 nan 0.000 0.449 551 L N -1.977 119.292 121.223 0.077 0.000 2.313 551 L HA -0.036 4.299 4.340 -0.009 0.000 0.214 551 L C 2.678 179.561 176.870 0.022 0.000 1.119 551 L CA 0.835 55.714 54.840 0.066 0.000 0.809 551 L CB -0.226 41.888 42.059 0.092 0.000 0.933 551 L HN 0.294 nan 8.230 nan 0.000 0.449 552 R N -0.610 119.895 120.500 0.007 0.000 2.105 552 R HA 0.012 4.347 4.340 -0.009 0.000 0.214 552 R C 1.708 177.970 176.300 -0.064 0.000 1.091 552 R CA 1.497 57.576 56.100 -0.035 0.000 1.007 552 R CB -0.003 30.282 30.300 -0.025 0.000 0.912 552 R HN 0.292 nan 8.270 nan 0.000 0.450 553 T N -3.303 111.221 114.554 -0.050 0.000 3.111 553 T HA 0.326 4.670 4.350 -0.009 0.000 0.284 553 T C 0.787 175.447 174.700 -0.067 0.000 0.983 553 T CA -0.229 61.831 62.100 -0.067 0.000 0.900 553 T CB 0.806 69.633 68.868 -0.067 0.000 1.132 553 T HN 0.169 nan 8.240 nan 0.000 0.531 554 G N 1.250 110.012 108.800 -0.062 0.000 2.621 554 G HA2 0.489 4.444 3.960 -0.009 0.000 0.271 554 G HA3 0.489 4.444 3.960 -0.009 0.000 0.271 554 G C -0.166 174.650 174.900 -0.139 0.000 1.236 554 G CA -0.532 44.499 45.100 -0.114 0.000 0.958 554 G HN 0.347 nan 8.290 nan 0.000 0.512 555 S N -1.238 114.264 115.700 -0.330 0.000 2.600 555 S HA 0.406 4.870 4.470 -0.009 0.000 0.265 555 S C -0.811 173.751 174.600 -0.064 0.000 1.325 555 S CA 0.028 58.077 58.200 -0.252 0.000 1.002 555 S CB 0.838 63.706 63.200 -0.554 0.000 0.921 555 S HN 0.435 nan 8.310 nan 0.000 0.554 556 F N 2.171 122.170 119.950 0.081 0.000 2.518 556 F HA 0.643 5.165 4.527 -0.009 0.000 0.323 556 F C -0.595 175.408 175.800 0.339 0.000 1.129 556 F CA -0.752 57.353 58.000 0.176 0.000 0.920 556 F CB 1.097 40.149 39.000 0.085 0.000 1.160 556 F HN 0.448 nan 8.300 nan 0.000 0.440 557 M N 6.040 125.568 119.600 -0.121 0.000 2.267 557 M HA 0.367 4.842 4.480 -0.009 0.000 0.289 557 M C -1.209 174.991 176.300 -0.167 0.000 1.043 557 M CA -0.278 55.028 55.300 0.009 0.000 0.928 557 M CB 1.860 34.308 32.600 -0.253 0.000 1.613 557 M HN 0.629 nan 8.290 nan 0.000 0.450 558 T N 5.482 120.100 114.554 0.106 0.000 2.901 558 T HA 0.290 4.635 4.350 -0.009 0.000 0.301 558 T C 0.981 175.698 174.700 0.027 0.000 1.012 558 T CA -0.068 62.113 62.100 0.135 0.000 1.135 558 T CB 0.647 69.707 68.868 0.320 0.000 0.936 558 T HN 0.676 nan 8.240 nan 0.000 0.539 559 L N 2.456 123.667 121.223 -0.020 0.000 2.624 559 L HA 0.489 4.824 4.340 -0.009 0.000 0.222 559 L C 0.217 177.096 176.870 0.015 0.000 1.046 559 L CA 0.322 55.120 54.840 -0.070 0.000 0.872 559 L CB 0.362 42.319 42.059 -0.170 0.000 1.190 559 L HN 0.491 nan 8.230 nan 0.000 0.487 560 I N 0.034 120.649 120.570 0.075 0.000 2.644 560 I HA 0.220 4.384 4.170 -0.009 0.000 0.291 560 I C -0.856 175.425 176.117 0.273 0.000 1.180 560 I CA -0.269 61.113 61.300 0.137 0.000 1.040 560 I CB 2.425 40.482 38.000 0.095 0.000 1.255 560 I HN -0.065 nan 8.210 nan 0.000 0.422 561 T N -0.320 114.374 114.554 0.234 0.000 3.209 561 T HA 0.272 4.617 4.350 -0.009 0.000 0.366 561 T C -0.890 173.908 174.700 0.164 0.000 1.293 561 T CA -0.672 61.570 62.100 0.237 0.000 1.417 561 T CB 0.530 69.506 68.868 0.180 0.000 1.013 561 T HN 0.420 nan 8.240 nan 0.000 0.572 562 D N 2.003 122.503 120.400 0.165 0.000 2.443 562 D HA 0.247 4.882 4.640 -0.009 0.000 0.221 562 D C 0.316 176.680 176.300 0.106 0.000 1.097 562 D CA -0.487 53.577 54.000 0.107 0.000 0.865 562 D CB 1.160 42.000 40.800 0.067 0.000 1.034 562 D HN 0.299 nan 8.370 nan 0.000 0.511 563 D N 1.934 122.389 120.400 0.092 0.000 2.183 563 D HA -0.093 4.542 4.640 -0.009 0.000 0.203 563 D C 1.534 177.868 176.300 0.057 0.000 0.969 563 D CA 0.922 54.977 54.000 0.092 0.000 0.842 563 D CB 0.289 41.138 40.800 0.082 0.000 0.957 563 D HN 0.420 nan 8.370 nan 0.000 0.484 564 T N 1.054 115.625 114.554 0.029 0.000 2.737 564 T HA -0.071 4.274 4.350 -0.009 0.000 0.265 564 T C 1.474 176.154 174.700 -0.033 0.000 1.038 564 T CA 0.845 62.948 62.100 0.006 0.000 1.144 564 T CB 0.007 68.876 68.868 0.001 0.000 0.866 564 T HN 0.122 nan 8.240 nan 0.000 0.434 565 N N 0.661 119.296 118.700 -0.110 0.000 2.280 565 N HA 0.095 4.830 4.740 -0.009 0.000 0.192 565 N C -0.196 175.216 175.510 -0.164 0.000 1.109 565 N CA 0.147 52.998 53.050 -0.332 0.000 0.855 565 N CB 0.276 38.335 38.487 -0.714 0.000 0.974 565 N HN 0.446 nan 8.380 nan 0.000 0.482 566 K N 0.751 121.154 120.400 0.006 0.000 3.162 566 K HA -0.131 4.184 4.320 -0.009 0.000 0.268 566 K C -0.842 175.889 176.600 0.218 0.000 1.062 566 K CA 0.497 56.860 56.287 0.128 0.000 0.769 566 K CB -1.201 31.325 32.500 0.044 0.000 1.274 566 K HN 0.140 nan 8.250 nan 0.000 0.478 567 I N 1.194 121.889 120.570 0.208 0.000 2.354 567 I HA 0.259 4.424 4.170 -0.009 0.000 0.292 567 I C -0.070 176.289 176.117 0.404 0.000 0.989 567 I CA -0.434 61.024 61.300 0.263 0.000 1.188 567 I CB 0.935 39.007 38.000 0.120 0.000 1.342 567 I HN 0.145 nan 8.210 nan 0.000 0.457 568 Y N 4.952 125.443 120.300 0.318 0.000 2.350 568 Y HA 0.506 5.051 4.550 -0.009 0.000 0.338 568 Y C -0.316 175.713 175.900 0.215 0.000 0.961 568 Y CA -0.366 57.892 58.100 0.264 0.000 1.100 568 Y CB 1.687 40.286 38.460 0.232 0.000 1.179 568 Y HN 0.603 nan 8.280 nan 0.000 0.454 569 S N 5.833 121.476 115.700 -0.094 0.000 2.536 569 S HA 0.693 5.158 4.470 -0.009 0.000 0.287 569 S C -1.810 172.571 174.600 -0.365 0.000 1.101 569 S CA -0.374 57.650 58.200 -0.292 0.000 0.950 569 S CB 0.876 63.989 63.200 -0.146 0.000 1.056 569 S HN 0.695 nan 8.310 nan 0.000 0.481 570 Y N 0.178 120.214 120.300 -0.440 0.000 2.597 570 Y HA 0.831 5.376 4.550 -0.009 0.000 0.340 570 Y C -0.157 175.493 175.900 -0.417 0.000 1.097 570 Y CA -1.157 56.634 58.100 -0.515 0.000 1.037 570 Y CB 0.699 38.699 38.460 -0.766 0.000 1.305 570 Y HN 0.724 nan 8.280 nan 0.000 0.463 571 G N 1.802 110.439 108.800 -0.272 0.000 2.420 571 G HA2 0.708 4.663 3.960 -0.009 0.000 0.331 571 G HA3 0.708 4.663 3.960 -0.009 0.000 0.331 571 G C -1.308 173.611 174.900 0.032 0.000 1.168 571 G CA -1.285 43.715 45.100 -0.167 0.000 0.936 571 G HN 0.477 nan 8.290 nan 0.000 0.479 572 R N 0.503 121.079 120.500 0.127 0.000 2.480 572 R HA 0.576 4.911 4.340 -0.009 0.000 0.306 572 R C -1.195 175.263 176.300 0.264 0.000 0.958 572 R CA -0.749 55.450 56.100 0.165 0.000 0.861 572 R CB 1.195 31.559 30.300 0.106 0.000 1.171 572 R HN 0.673 nan 8.270 nan 0.000 0.445 573 F N -0.690 119.241 119.950 -0.033 0.000 2.678 573 F HA 0.648 5.170 4.527 -0.009 0.000 0.308 573 F C -0.913 174.884 175.800 -0.005 0.000 1.118 573 F CA -1.119 56.861 58.000 -0.033 0.000 0.959 573 F CB 1.712 40.670 39.000 -0.069 0.000 1.305 573 F HN 0.430 nan 8.300 nan 0.000 0.443 574 D N -0.435 119.990 120.400 0.043 0.000 3.009 574 D HA 0.274 4.908 4.640 -0.009 0.000 0.318 574 D C -0.546 175.752 176.300 -0.003 0.000 1.273 574 D CA -0.736 53.230 54.000 -0.056 0.000 1.001 574 D CB 0.339 41.103 40.800 -0.060 0.000 1.411 574 D HN 0.550 nan 8.370 nan 0.000 0.577 575 N N -1.248 117.420 118.700 -0.053 0.000 2.453 575 N HA 0.004 4.739 4.740 -0.009 0.000 0.183 575 N C 1.243 176.750 175.510 -0.006 0.000 1.041 575 N CA 0.946 53.965 53.050 -0.051 0.000 0.900 575 N CB 0.261 38.700 38.487 -0.080 0.000 0.961 575 N HN 0.168 nan 8.380 nan 0.000 0.443 576 V N -0.576 119.349 119.914 0.020 0.000 2.743 576 V HA 0.133 4.248 4.120 -0.009 0.000 0.237 576 V C 0.172 176.313 176.094 0.078 0.000 1.113 576 V CA 0.617 62.943 62.300 0.042 0.000 1.141 576 V CB -0.053 31.793 31.823 0.039 0.000 0.873 576 V HN 0.166 nan 8.190 nan 0.000 0.486 577 N N -0.170 118.594 118.700 0.106 0.000 2.404 577 N HA 0.689 5.424 4.740 -0.009 0.000 0.297 577 N C -0.758 174.817 175.510 0.108 0.000 1.163 577 N CA -0.646 52.479 53.050 0.126 0.000 0.864 577 N CB 1.507 40.124 38.487 0.217 0.000 1.247 577 N HN 0.138 nan 8.380 nan 0.000 0.510 578 R N 0.991 121.524 120.500 0.055 0.000 2.483 578 R HA 0.539 4.874 4.340 -0.009 0.000 0.303 578 R C -1.157 175.106 176.300 -0.061 0.000 0.987 578 R CA -0.423 55.695 56.100 0.030 0.000 0.881 578 R CB 1.297 31.585 30.300 -0.019 0.000 1.177 578 R HN 0.478 nan 8.270 nan 0.000 0.451 579 I N 1.934 122.459 120.570 -0.074 0.000 2.466 579 I HA 0.491 4.656 4.170 -0.009 0.000 0.289 579 I C -0.363 175.655 176.117 -0.165 0.000 1.026 579 I CA -0.861 60.344 61.300 -0.159 0.000 1.078 579 I CB 2.226 40.094 38.000 -0.221 0.000 1.249 579 I HN 0.596 nan 8.210 nan 0.000 0.429 580 A N 6.689 129.391 122.820 -0.197 0.000 2.267 580 A HA 0.701 5.016 4.320 -0.009 0.000 0.315 580 A C -0.536 176.869 177.584 -0.298 0.000 1.297 580 A CA -0.491 51.395 52.037 -0.253 0.000 0.865 580 A CB 0.772 19.642 19.000 -0.217 0.000 1.165 580 A HN 0.451 nan 8.150 nan 0.000 0.513 581 V N 3.305 122.933 119.914 -0.476 0.000 2.465 581 V HA 0.376 4.491 4.120 -0.009 0.000 0.279 581 V C -0.122 175.690 176.094 -0.470 0.000 1.045 581 V CA -0.269 61.720 62.300 -0.518 0.000 0.938 581 V CB 1.409 32.732 31.823 -0.833 0.000 0.986 581 V HN 0.586 nan 8.190 nan 0.000 0.467 582 V N 6.732 126.507 119.914 -0.232 0.000 2.407 582 V HA 0.477 4.592 4.120 -0.009 0.000 0.291 582 V C -0.331 175.783 176.094 0.034 0.000 1.018 582 V CA -0.450 61.788 62.300 -0.104 0.000 0.842 582 V CB 1.483 33.265 31.823 -0.068 0.000 0.996 582 V HN 0.625 nan 8.190 nan 0.000 0.426 583 L N 4.197 125.519 121.223 0.166 0.000 2.322 583 L HA 0.603 4.938 4.340 -0.009 0.000 0.281 583 L C -0.131 176.951 176.870 0.353 0.000 1.014 583 L CA -0.468 54.569 54.840 0.328 0.000 0.815 583 L CB 1.797 44.205 42.059 0.583 0.000 1.247 583 L HN 0.532 nan 8.230 nan 0.000 0.421 584 N N 2.676 121.540 118.700 0.273 0.000 2.546 584 N HA 0.108 4.842 4.740 -0.009 0.000 0.238 584 N C -0.126 175.449 175.510 0.108 0.000 0.984 584 N CA -0.030 53.149 53.050 0.214 0.000 0.935 584 N CB 0.836 39.442 38.487 0.200 0.000 1.122 584 N HN 0.627 nan 8.380 nan 0.000 0.510 585 N N 2.354 121.049 118.700 -0.008 0.000 2.314 585 N HA -0.046 4.689 4.740 -0.009 0.000 0.200 585 N C -0.584 174.774 175.510 -0.253 0.000 1.135 585 N CA -0.208 52.676 53.050 -0.276 0.000 0.835 585 N CB 0.333 38.260 38.487 -0.934 0.000 0.989 585 N HN 0.514 nan 8.380 nan 0.000 0.478 586 D N -0.553 119.732 120.400 -0.192 0.000 2.388 586 D HA 0.100 4.735 4.640 -0.009 0.000 0.254 586 D C 0.890 176.862 176.300 -0.546 0.000 1.111 586 D CA -0.254 53.620 54.000 -0.210 0.000 0.993 586 D CB 1.634 42.499 40.800 0.108 0.000 1.118 586 D HN 0.142 nan 8.370 nan 0.000 0.502 587 S N -0.776 114.677 115.700 -0.413 0.000 2.575 587 S HA 0.220 4.685 4.470 -0.009 0.000 0.215 587 S C 0.604 175.022 174.600 -0.303 0.000 0.966 587 S CA -0.229 57.718 58.200 -0.422 0.000 0.911 587 S CB -0.640 62.446 63.200 -0.190 0.000 0.780 587 S HN 0.343 nan 8.310 nan 0.000 0.514 588 V N -2.226 117.510 119.914 -0.296 0.000 3.040 588 V HA 0.760 4.874 4.120 -0.009 0.000 0.312 588 V C 0.047 175.881 176.094 -0.433 0.000 1.115 588 V CA -1.021 61.086 62.300 -0.322 0.000 0.998 588 V CB 1.221 32.865 31.823 -0.299 0.000 1.042 588 V HN 0.138 nan 8.190 nan 0.000 0.433 589 S N 0.771 116.262 115.700 -0.348 0.000 2.579 589 S HA 0.457 4.922 4.470 -0.009 0.000 0.275 589 S C -0.510 173.826 174.600 -0.440 0.000 1.345 589 S CA 0.245 58.285 58.200 -0.267 0.000 1.031 589 S CB -0.245 62.875 63.200 -0.134 0.000 0.892 589 S HN 0.995 nan 8.310 nan 0.000 0.529 590 H N 0.272 119.349 119.070 0.011 0.000 2.865 590 H HA 0.318 4.869 4.556 -0.009 0.000 0.362 590 H C -0.818 174.526 175.328 0.027 0.000 1.114 590 H CA -0.727 55.332 56.048 0.018 0.000 1.208 590 H CB 1.816 31.592 29.762 0.024 0.000 1.727 590 H HN 0.502 nan 8.280 nan 0.000 0.534 591 T N 3.350 117.998 114.554 0.156 0.000 2.728 591 T HA 0.343 4.687 4.350 -0.009 0.000 0.296 591 T C -0.235 174.512 174.700 0.078 0.000 0.940 591 T CA -0.568 61.587 62.100 0.091 0.000 1.013 591 T CB 0.316 69.225 68.868 0.068 0.000 0.912 591 T HN 0.155 nan 8.240 nan 0.000 0.484 592 V N 4.506 124.449 119.914 0.048 0.000 2.513 592 V HA 0.398 4.513 4.120 -0.009 0.000 0.299 592 V C 0.077 176.174 176.094 0.004 0.000 1.035 592 V CA -1.160 61.157 62.300 0.030 0.000 0.889 592 V CB 1.737 33.576 31.823 0.026 0.000 0.988 592 V HN 0.740 nan 8.190 nan 0.000 0.440 593 N N 3.049 121.762 118.700 0.022 0.000 2.558 593 N HA 0.282 5.017 4.740 -0.009 0.000 0.233 593 N C -0.533 174.994 175.510 0.027 0.000 1.038 593 N CA -0.124 52.943 53.050 0.028 0.000 0.934 593 N CB 1.621 40.140 38.487 0.054 0.000 1.175 593 N HN 0.448 nan 8.380 nan 0.000 0.512 594 V N 4.274 124.182 119.914 -0.009 0.000 2.455 594 V HA 0.163 4.278 4.120 -0.009 0.000 0.273 594 V C -1.563 174.528 176.094 -0.005 0.000 1.045 594 V CA -1.196 61.083 62.300 -0.035 0.000 0.976 594 V CB 0.989 32.757 31.823 -0.090 0.000 0.993 594 V HN 0.429 nan 8.190 nan 0.000 0.475 595 P HA 0.067 nan 4.420 nan 0.000 0.226 595 P C 0.959 178.075 177.300 -0.308 0.000 1.783 595 P CA -0.002 63.059 63.100 -0.064 0.000 0.980 595 P CB 0.468 32.093 31.700 -0.125 0.000 1.967 596 V N -1.439 118.412 119.914 -0.106 0.000 3.026 596 V HA -0.151 3.964 4.120 -0.009 0.000 0.265 596 V C 2.040 178.084 176.094 -0.084 0.000 1.121 596 V CA 0.618 62.840 62.300 -0.131 0.000 1.142 596 V CB -1.700 30.096 31.823 -0.046 0.000 0.730 596 V HN 0.416 nan 8.190 nan 0.000 0.503 597 W N 0.157 121.469 121.300 0.020 0.000 2.421 597 W HA -0.060 4.595 4.660 -0.009 0.000 0.270 597 W C 1.706 178.325 176.519 0.165 0.000 1.233 597 W CA 0.815 58.208 57.345 0.080 0.000 1.226 597 W CB -1.013 28.496 29.460 0.083 0.000 1.121 597 W HN 0.298 nan 8.180 nan 0.000 0.579 598 Q N 1.198 120.604 119.800 -0.656 0.000 2.291 598 Q HA -0.012 4.323 4.340 -0.009 0.000 0.205 598 Q C 2.141 177.821 176.000 -0.535 0.000 0.970 598 Q CA 1.076 56.495 55.803 -0.640 0.000 0.876 598 Q CB -0.222 27.995 28.738 -0.869 0.000 0.935 598 Q HN 0.510 nan 8.270 nan 0.000 0.455 599 L N -0.421 120.510 121.223 -0.486 0.000 2.628 599 L HA 0.138 4.473 4.340 -0.009 0.000 0.229 599 L C 0.326 176.996 176.870 -0.333 0.000 1.137 599 L CA -0.126 54.309 54.840 -0.675 0.000 0.909 599 L CB 0.232 41.925 42.059 -0.609 0.000 1.137 599 L HN -0.075 nan 8.230 nan 0.000 0.470 600 S N 0.469 116.138 115.700 -0.052 0.000 3.748 600 S HA -0.162 4.302 4.470 -0.009 0.000 0.329 600 S C 0.421 175.072 174.600 0.084 0.000 1.104 600 S CA 0.567 58.848 58.200 0.136 0.000 0.954 600 S CB -1.205 62.082 63.200 0.145 0.000 0.910 600 S HN 0.396 nan 8.310 nan 0.000 0.494 601 M N 1.664 121.296 119.600 0.054 0.000 2.143 601 M HA 0.204 4.678 4.480 -0.009 0.000 0.348 601 M C -2.288 174.070 176.300 0.096 0.000 1.375 601 M CA -1.555 53.776 55.300 0.050 0.000 1.124 601 M CB 0.285 32.897 32.600 0.020 0.000 1.669 601 M HN -0.085 nan 8.290 nan 0.000 0.469 602 P HA 0.010 nan 4.420 nan 0.000 0.266 602 P C -0.815 176.531 177.300 0.077 0.000 1.195 602 P CA 0.152 63.303 63.100 0.085 0.000 0.768 602 P CB 0.316 32.057 31.700 0.069 0.000 0.838 603 N N 1.431 120.174 118.700 0.071 0.000 2.458 603 N HA 0.213 4.947 4.740 -0.009 0.000 0.258 603 N C 1.336 176.875 175.510 0.049 0.000 1.219 603 N CA 1.006 54.091 53.050 0.058 0.000 0.902 603 N CB -0.006 38.504 38.487 0.038 0.000 1.076 603 N HN 0.723 nan 8.380 nan 0.000 0.455 604 G N 0.514 109.343 108.800 0.049 0.000 2.225 604 G HA2 -0.330 3.625 3.960 -0.009 0.000 0.254 604 G HA3 -0.330 3.625 3.960 -0.009 0.000 0.254 604 G C 0.239 175.166 174.900 0.047 0.000 0.988 604 G CA 0.405 45.531 45.100 0.043 0.000 0.625 604 G HN 0.729 nan 8.290 nan 0.000 0.527 605 S N -0.534 115.198 115.700 0.053 0.000 2.614 605 S HA 0.672 5.137 4.470 -0.009 0.000 0.265 605 S C 0.166 174.802 174.600 0.060 0.000 1.303 605 S CA 0.701 58.933 58.200 0.053 0.000 1.000 605 S CB 2.080 65.313 63.200 0.054 0.000 0.935 605 S HN 1.132 nan 8.310 nan 0.000 0.551 606 T N 0.198 114.787 114.554 0.059 0.000 2.895 606 T HA 0.628 4.973 4.350 -0.009 0.000 0.283 606 T C -0.553 174.194 174.700 0.078 0.000 1.014 606 T CA -0.407 61.735 62.100 0.070 0.000 1.037 606 T CB 0.635 69.536 68.868 0.055 0.000 1.006 606 T HN 1.306 nan 8.240 nan 0.000 0.468 607 V N 1.604 121.583 119.914 0.107 0.000 2.962 607 V HA 0.882 4.997 4.120 -0.009 0.000 0.313 607 V C -0.514 175.669 176.094 0.149 0.000 1.099 607 V CA -0.718 61.647 62.300 0.107 0.000 0.971 607 V CB 1.917 33.796 31.823 0.094 0.000 1.028 607 V HN 0.879 nan 8.190 nan 0.000 0.430 608 T N 2.390 117.016 114.554 0.120 0.000 2.812 608 T HA 0.376 4.720 4.350 -0.009 0.000 0.282 608 T C -0.942 173.838 174.700 0.133 0.000 0.990 608 T CA -0.082 62.098 62.100 0.134 0.000 0.960 608 T CB 1.209 70.135 68.868 0.098 0.000 0.948 608 T HN 0.995 nan 8.240 nan 0.000 0.438 609 D N 2.963 123.485 120.400 0.202 0.000 2.344 609 D HA 0.109 4.744 4.640 -0.009 0.000 0.253 609 D C 1.061 177.413 176.300 0.087 0.000 1.255 609 D CA -0.400 53.692 54.000 0.153 0.000 0.894 609 D CB 0.750 41.708 40.800 0.263 0.000 1.067 609 D HN 0.188 nan 8.370 nan 0.000 0.492 610 K N 3.858 124.286 120.400 0.046 0.000 2.442 610 K HA -0.057 4.257 4.320 -0.009 0.000 0.198 610 K C 1.428 178.042 176.600 0.023 0.000 1.044 610 K CA 0.426 56.740 56.287 0.046 0.000 0.948 610 K CB 0.362 32.894 32.500 0.054 0.000 0.762 610 K HN 0.550 nan 8.250 nan 0.000 0.472 611 I N 0.708 121.280 120.570 0.003 0.000 2.339 611 I HA -0.135 4.029 4.170 -0.009 0.000 0.245 611 I C 2.257 178.387 176.117 0.022 0.000 1.096 611 I CA 1.624 62.908 61.300 -0.026 0.000 1.408 611 I CB -1.415 36.507 38.000 -0.131 0.000 1.092 611 I HN 0.183 nan 8.210 nan 0.000 0.423 612 T N -2.322 112.252 114.554 0.033 0.000 3.037 612 T HA 0.290 4.635 4.350 -0.009 0.000 0.252 612 T C 1.619 176.226 174.700 -0.155 0.000 1.073 612 T CA 0.786 62.863 62.100 -0.039 0.000 1.091 612 T CB 0.509 69.345 68.868 -0.053 0.000 0.935 612 T HN 0.457 nan 8.240 nan 0.000 0.488 613 G N 0.865 109.633 108.800 -0.053 0.000 2.175 613 G HA2 -0.222 3.733 3.960 -0.009 0.000 0.244 613 G HA3 -0.222 3.733 3.960 -0.009 0.000 0.244 613 G C -0.051 174.851 174.900 0.004 0.000 0.982 613 G CA 0.076 45.156 45.100 -0.033 0.000 0.641 613 G HN 0.781 nan 8.290 nan 0.000 0.527 614 H N 0.776 119.872 119.070 0.044 0.000 2.629 614 H HA 0.557 5.108 4.556 -0.009 0.000 0.357 614 H C 0.244 175.474 175.328 -0.163 0.000 1.121 614 H CA 0.415 56.414 56.048 -0.083 0.000 1.406 614 H CB 1.018 30.726 29.762 -0.090 0.000 1.456 614 H HN 0.212 nan 8.280 nan 0.000 0.579 615 S N 1.634 117.208 115.700 -0.210 0.000 2.578 615 S HA 0.432 4.897 4.470 -0.009 0.000 0.301 615 S C -1.279 172.997 174.600 -0.539 0.000 1.091 615 S CA -0.702 57.382 58.200 -0.194 0.000 1.032 615 S CB 0.850 64.014 63.200 -0.060 0.000 1.064 615 S HN 0.408 nan 8.310 nan 0.000 0.508 616 Y N -0.209 120.118 120.300 0.044 0.000 2.581 616 Y HA 0.497 5.042 4.550 -0.009 0.000 0.345 616 Y C 0.301 176.217 175.900 0.028 0.000 1.036 616 Y CA -0.943 57.175 58.100 0.030 0.000 1.042 616 Y CB 1.733 40.211 38.460 0.031 0.000 1.289 616 Y HN 0.407 nan 8.280 nan 0.000 0.471 617 T N 1.803 116.465 114.554 0.181 0.000 2.823 617 T HA 0.423 4.767 4.350 -0.009 0.000 0.279 617 T C -0.662 174.105 174.700 0.112 0.000 0.998 617 T CA -0.679 61.489 62.100 0.113 0.000 0.994 617 T CB 1.125 70.037 68.868 0.072 0.000 0.960 617 T HN 0.324 nan 8.240 nan 0.000 0.448 618 V N 4.671 124.639 119.914 0.091 0.000 2.479 618 V HA 0.201 4.316 4.120 -0.009 0.000 0.281 618 V C 0.132 176.269 176.094 0.072 0.000 1.031 618 V CA 0.107 62.457 62.300 0.083 0.000 1.038 618 V CB 0.347 32.219 31.823 0.081 0.000 0.981 618 V HN 0.820 nan 8.190 nan 0.000 0.478 619 Q N 4.134 123.976 119.800 0.069 0.000 2.304 619 Q HA 0.436 4.771 4.340 -0.009 0.000 0.270 619 Q C -0.101 175.925 176.000 0.045 0.000 1.035 619 Q CA -0.866 54.967 55.803 0.051 0.000 0.781 619 Q CB 1.599 30.365 28.738 0.047 0.000 1.261 619 Q HN 0.727 nan 8.270 nan 0.000 0.444 620 N N 1.312 120.025 118.700 0.021 0.000 2.727 620 N HA -0.234 4.501 4.740 -0.009 0.000 0.249 620 N C 0.557 176.070 175.510 0.005 0.000 1.048 620 N CA 1.350 54.394 53.050 -0.010 0.000 0.714 620 N CB -1.057 37.422 38.487 -0.014 0.000 0.959 620 N HN 1.182 nan 8.380 nan 0.000 0.544 621 G N -1.936 106.898 108.800 0.057 0.000 2.175 621 G HA2 -0.349 3.606 3.960 -0.009 0.000 0.265 621 G HA3 -0.349 3.606 3.960 -0.009 0.000 0.265 621 G C 0.155 175.242 174.900 0.312 0.000 0.979 621 G CA 1.154 46.368 45.100 0.190 0.000 0.663 621 G HN 0.396 nan 8.290 nan 0.000 0.533 622 M N -0.569 119.136 119.600 0.175 0.000 2.716 622 M HA 0.725 5.200 4.480 -0.009 0.000 0.307 622 M C -0.273 176.074 176.300 0.079 0.000 1.223 622 M CA -1.230 54.155 55.300 0.143 0.000 0.871 622 M CB 1.928 34.598 32.600 0.116 0.000 1.739 622 M HN -0.009 nan 8.290 nan 0.000 0.475 623 V N 1.244 121.178 119.914 0.032 0.000 2.409 623 V HA 0.352 4.467 4.120 -0.009 0.000 0.290 623 V C -0.435 175.613 176.094 -0.077 0.000 1.017 623 V CA -0.523 61.765 62.300 -0.020 0.000 0.841 623 V CB 1.839 33.623 31.823 -0.065 0.000 1.003 623 V HN 0.909 nan 8.190 nan 0.000 0.426 624 T N 4.855 119.376 114.554 -0.055 0.000 2.728 624 T HA 0.532 4.877 4.350 -0.009 0.000 0.296 624 T C -0.423 174.176 174.700 -0.169 0.000 0.940 624 T CA -0.112 61.954 62.100 -0.057 0.000 1.013 624 T CB 1.348 70.227 68.868 0.017 0.000 0.912 624 T HN 0.467 nan 8.240 nan 0.000 0.484 625 V N 2.716 122.514 119.914 -0.194 0.000 2.760 625 V HA 0.806 4.921 4.120 -0.009 0.000 0.309 625 V C -0.991 175.075 176.094 -0.048 0.000 1.077 625 V CA -0.964 61.183 62.300 -0.256 0.000 0.910 625 V CB 1.812 33.339 31.823 -0.493 0.000 1.008 625 V HN 0.999 nan 8.190 nan 0.000 0.424 626 A N 6.197 129.040 122.820 0.039 0.000 2.269 626 A HA 0.732 5.047 4.320 -0.009 0.000 0.302 626 A C -0.614 177.037 177.584 0.111 0.000 1.266 626 A CA -0.356 51.729 52.037 0.080 0.000 0.894 626 A CB 0.687 19.741 19.000 0.091 0.000 1.147 626 A HN 1.068 nan 8.150 nan 0.000 0.537 627 V N 4.256 124.237 119.914 0.113 0.000 2.398 627 V HA 0.190 4.305 4.120 -0.009 0.000 0.286 627 V C 0.056 176.238 176.094 0.146 0.000 1.026 627 V CA -0.896 61.496 62.300 0.153 0.000 0.868 627 V CB 1.392 33.302 31.823 0.146 0.000 0.982 627 V HN 0.890 nan 8.190 nan 0.000 0.443 628 D N 3.034 123.549 120.400 0.190 0.000 2.368 628 D HA 0.162 4.797 4.640 -0.009 0.000 0.240 628 D C 0.639 176.987 176.300 0.080 0.000 1.169 628 D CA 0.327 54.380 54.000 0.089 0.000 0.906 628 D CB 1.309 42.151 40.800 0.070 0.000 1.187 628 D HN 0.712 nan 8.370 nan 0.000 0.435 629 G N -0.544 108.201 108.800 -0.092 0.000 2.491 629 G HA2 -0.026 3.929 3.960 -0.009 0.000 0.238 629 G HA3 -0.026 3.929 3.960 -0.009 0.000 0.238 629 G C -0.102 174.798 174.900 -0.000 0.000 1.277 629 G CA -0.003 45.002 45.100 -0.158 0.000 0.851 629 G HN 0.781 nan 8.290 nan 0.000 0.573 630 H N -1.115 118.020 119.070 0.108 0.000 2.626 630 H HA -0.214 4.337 4.556 -0.009 0.000 0.317 630 H C -0.263 175.376 175.328 0.519 0.000 1.140 630 H CA 1.296 57.471 56.048 0.213 0.000 1.134 630 H CB -1.479 28.386 29.762 0.172 0.000 1.486 630 H HN 0.646 nan 8.280 nan 0.000 0.417 631 Y N -1.539 118.972 120.300 0.351 0.000 2.829 631 Y HA 0.625 5.170 4.550 -0.009 0.000 0.322 631 Y C 0.287 176.352 175.900 0.276 0.000 1.357 631 Y CA -0.554 57.780 58.100 0.390 0.000 1.081 631 Y CB 2.207 40.923 38.460 0.427 0.000 1.339 631 Y HN 0.202 nan 8.280 nan 0.000 0.469 632 G N 0.304 109.058 108.800 -0.078 0.000 2.684 632 G HA2 0.658 4.613 3.960 -0.009 0.000 0.290 632 G HA3 0.658 4.613 3.960 -0.009 0.000 0.290 632 G C -2.246 172.575 174.900 -0.131 0.000 1.425 632 G CA -0.363 44.719 45.100 -0.030 0.000 0.822 632 G HN 0.763 nan 8.290 nan 0.000 0.482 633 A N -0.545 122.242 122.820 -0.054 0.000 2.374 633 A HA 0.770 5.085 4.320 -0.009 0.000 0.317 633 A C -0.965 176.567 177.584 -0.086 0.000 1.094 633 A CA -0.661 51.343 52.037 -0.055 0.000 0.765 633 A CB 2.126 21.109 19.000 -0.029 0.000 1.268 633 A HN 1.313 nan 8.150 nan 0.000 0.438 634 V N 3.563 123.433 119.914 -0.074 0.000 2.320 634 V HA 0.212 4.327 4.120 -0.009 0.000 0.268 634 V C -0.524 175.515 176.094 -0.091 0.000 1.021 634 V CA -0.034 62.205 62.300 -0.103 0.000 0.813 634 V CB 0.461 32.235 31.823 -0.082 0.000 1.054 634 V HN 0.714 nan 8.190 nan 0.000 0.444 635 L N 4.212 125.372 121.223 -0.104 0.000 2.407 635 L HA 0.642 4.976 4.340 -0.009 0.000 0.282 635 L C 0.678 177.483 176.870 -0.109 0.000 1.110 635 L CA 0.315 55.115 54.840 -0.068 0.000 0.863 635 L CB 0.423 42.433 42.059 -0.081 0.000 1.207 635 L HN 0.626 nan 8.230 nan 0.000 0.454 636 A N 4.636 127.394 122.820 -0.104 0.000 2.356 636 A HA 0.846 5.161 4.320 -0.009 0.000 0.323 636 A C -0.534 177.021 177.584 -0.049 0.000 1.119 636 A CA -0.456 51.473 52.037 -0.180 0.000 0.790 636 A CB 1.800 20.535 19.000 -0.441 0.000 1.273 636 A HN 0.740 nan 8.150 nan 0.000 0.452 637 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 637 Q HA 0.000 4.335 4.340 -0.009 0.000 0.214 637 Q CA 0.000 55.834 55.803 0.051 0.000 1.022 637 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481