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 1jih_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSKFTWKELI QLGSPSKAYE SSLACIAHID MNAFFAQVEQ MRCGLSKEDP DATA SEQUENCE VVCVQWNSII AVSYAARKYG ISRMDTIQEA LKKCSNLIPI HTAVFKKGED DATA SEQUENCE FWQYHDGCGS WVQDPAKQIS VEDHKVSLEP YRRESRKALK IFKSACDLVE DATA SEQUENCE RASIDEVFLD LGRICFNMLM FDNEYELTGD LKLKDALSNI REAFIGGNYD DATA SEQUENCE INSHLPLIPE KIKSLKFEGD VFNPEGRDLI TDWDDVILAL GSQVCKGIRD DATA SEQUENCE SIKDILGYTT SCGLSSTKNV CKLASNYKKP DAQTIVKNDC LLDFLDCGKF DATA SEQUENCE EITSFWTLGG VLGKELIDVL DLPHENSIKH IRETWPDNAG QLKEFLDAKV DATA SEQUENCE KQSDYDRSTS NIDPLKTADL AEKLFKLSRG RYGLPLSSRP VVKSMMSNKN DATA SEQUENCE LRGKSCNSIV DCISWLEVFC AELTSRIQDL EQEYNKIVIP RTVSISLKTK DATA SEQUENCE SYEVYRKSGP VAYKGINFQS HELLKVGIKF VTDLDIKGKN KSYYPLTKLS DATA SEQUENCE MTITNFDII 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.353 176.300 0.088 0.000 1.140 1 M CA 0.000 55.340 55.300 0.067 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 S N 0.982 116.786 115.700 0.173 0.000 2.572 2 S HA 0.117 4.587 4.470 0.001 0.000 0.267 2 S C 1.063 175.776 174.600 0.187 0.000 1.361 2 S CA 0.566 58.886 58.200 0.201 0.000 1.009 2 S CB 0.576 64.015 63.200 0.398 0.000 0.888 2 S HN 0.752 nan 8.310 nan 0.000 0.553 3 K N 1.538 121.935 120.400 -0.004 0.000 2.459 3 K HA 0.107 4.428 4.320 0.001 0.000 0.193 3 K C -0.352 176.062 176.600 -0.310 0.000 1.030 3 K CA 0.337 56.539 56.287 -0.142 0.000 1.026 3 K CB -0.127 32.138 32.500 -0.391 0.000 0.809 3 K HN 0.480 nan 8.250 nan 0.000 0.504 4 F N 1.914 121.897 119.950 0.054 0.000 2.403 4 F HA 0.259 4.787 4.527 0.001 0.000 0.326 4 F C 0.861 176.513 175.800 -0.247 0.000 1.081 4 F CA -0.929 57.019 58.000 -0.086 0.000 1.041 4 F CB 1.469 40.442 39.000 -0.045 0.000 1.234 4 F HN -0.060 nan 8.300 nan 0.000 0.503 5 T N -3.123 111.377 114.554 -0.089 0.000 2.948 5 T HA 0.214 4.565 4.350 0.001 0.000 0.285 5 T C 0.430 175.039 174.700 -0.153 0.000 1.019 5 T CA -0.715 61.279 62.100 -0.178 0.000 1.013 5 T CB 0.968 69.753 68.868 -0.137 0.000 1.117 5 T HN 0.630 nan 8.240 nan 0.000 0.533 6 W N 0.575 121.811 121.300 -0.108 0.000 2.342 6 W HA 0.027 4.687 4.660 0.000 0.000 0.297 6 W C 2.730 179.204 176.519 -0.074 0.000 1.213 6 W CA 1.181 58.428 57.345 -0.163 0.000 1.251 6 W CB -0.082 29.230 29.460 -0.247 0.000 1.136 6 W HN 0.798 nan 8.180 nan 0.000 0.526 7 K N 1.023 121.538 120.400 0.192 0.000 2.032 7 K HA -0.251 4.070 4.320 0.001 0.000 0.209 7 K C 1.641 178.257 176.600 0.026 0.000 1.048 7 K CA 2.065 58.419 56.287 0.112 0.000 0.927 7 K CB -0.299 32.249 32.500 0.081 0.000 0.712 7 K HN 0.170 nan 8.250 nan 0.000 0.441 8 E N 0.460 120.657 120.200 -0.004 0.000 2.110 8 E HA -0.207 4.143 4.350 0.001 0.000 0.193 8 E C 2.020 178.564 176.600 -0.092 0.000 0.988 8 E CA 1.105 57.481 56.400 -0.041 0.000 0.804 8 E CB -0.091 29.614 29.700 0.007 0.000 0.745 8 E HN 0.209 nan 8.360 nan 0.000 0.458 9 L N 1.050 122.202 121.223 -0.119 0.000 2.023 9 L HA -0.143 4.197 4.340 0.001 0.000 0.205 9 L C 2.048 178.885 176.870 -0.055 0.000 1.073 9 L CA 1.418 56.179 54.840 -0.133 0.000 0.745 9 L CB -0.311 41.576 42.059 -0.286 0.000 0.900 9 L HN 0.107 nan 8.230 nan 0.000 0.435 10 I N -0.252 120.301 120.570 -0.028 0.000 2.264 10 I HA -0.347 3.824 4.170 0.001 0.000 0.248 10 I C 2.513 178.464 176.117 -0.276 0.000 1.111 10 I CA 1.495 62.700 61.300 -0.159 0.000 1.382 10 I CB -1.283 36.757 38.000 0.067 0.000 1.060 10 I HN 0.571 nan 8.210 nan 0.000 0.418 11 Q N 0.470 120.181 119.800 -0.148 0.000 2.308 11 Q HA -0.223 4.118 4.340 0.001 0.000 0.209 11 Q C 2.132 178.027 176.000 -0.175 0.000 0.985 11 Q CA 1.156 56.872 55.803 -0.144 0.000 0.881 11 Q CB 0.042 28.714 28.738 -0.110 0.000 0.917 11 Q HN 0.321 nan 8.270 nan 0.000 0.443 12 L N -0.523 120.583 121.223 -0.196 0.000 2.191 12 L HA -0.080 4.260 4.340 0.001 0.000 0.212 12 L C 2.188 178.942 176.870 -0.194 0.000 1.103 12 L CA 1.870 56.622 54.840 -0.146 0.000 0.769 12 L CB -1.004 41.025 42.059 -0.050 0.000 0.908 12 L HN 0.298 nan 8.230 nan 0.000 0.438 13 G N -2.265 106.296 108.800 -0.398 0.000 2.776 13 G HA2 -0.103 3.857 3.960 0.001 0.000 0.209 13 G HA3 -0.103 3.857 3.960 0.001 0.000 0.209 13 G C 0.784 175.583 174.900 -0.167 0.000 1.145 13 G CA 0.574 45.465 45.100 -0.347 0.000 0.791 13 G HN 0.340 nan 8.290 nan 0.000 0.530 14 S N 0.455 116.075 115.700 -0.133 0.000 2.420 14 S HA 0.479 4.950 4.470 0.001 0.000 0.313 14 S C -1.271 173.310 174.600 -0.032 0.000 1.079 14 S CA -1.454 56.703 58.200 -0.072 0.000 1.104 14 S CB 1.886 65.044 63.200 -0.070 0.000 0.969 14 S HN -0.087 nan 8.310 nan 0.000 0.471 15 P HA -0.111 nan 4.420 nan 0.000 0.216 15 P C 1.490 178.819 177.300 0.048 0.000 1.150 15 P CA 1.126 64.235 63.100 0.014 0.000 0.837 15 P CB 0.058 31.764 31.700 0.009 0.000 0.786 16 S N -1.991 113.736 115.700 0.046 0.000 2.470 16 S HA 0.036 4.506 4.470 0.001 0.000 0.225 16 S C 1.803 176.492 174.600 0.149 0.000 1.006 16 S CA 1.178 59.432 58.200 0.091 0.000 0.934 16 S CB -0.879 62.354 63.200 0.056 0.000 0.778 16 S HN 0.160 nan 8.310 nan 0.000 0.517 17 K N 0.307 120.728 120.400 0.036 0.000 2.440 17 K HA 0.767 5.088 4.320 0.001 0.000 0.207 17 K C 2.003 178.480 176.600 -0.206 0.000 1.112 17 K CA 0.556 56.776 56.287 -0.111 0.000 1.036 17 K CB -0.843 31.588 32.500 -0.115 0.000 0.935 17 K HN 0.500 nan 8.250 nan 0.000 0.564 18 A N 1.081 123.858 122.820 -0.071 0.000 1.948 18 A HA -0.133 4.188 4.320 0.001 0.000 0.220 18 A C 2.294 179.823 177.584 -0.091 0.000 1.177 18 A CA 1.998 53.989 52.037 -0.078 0.000 0.636 18 A CB -0.982 18.003 19.000 -0.024 0.000 0.815 18 A HN 1.033 nan 8.150 nan 0.000 0.449 19 Y N -0.167 120.086 120.300 -0.079 0.000 2.403 19 Y HA -0.036 4.515 4.550 0.001 0.000 0.291 19 Y C 1.651 177.495 175.900 -0.093 0.000 1.143 19 Y CA 1.338 59.381 58.100 -0.095 0.000 1.257 19 Y CB -0.554 37.834 38.460 -0.121 0.000 0.984 19 Y HN 0.433 nan 8.280 nan 0.000 0.550 20 E N 0.630 120.331 120.200 -0.831 0.000 2.299 20 E HA -0.028 4.322 4.350 0.001 0.000 0.193 20 E C 0.831 177.277 176.600 -0.257 0.000 0.998 20 E CA 0.480 56.528 56.400 -0.587 0.000 0.851 20 E CB 0.039 29.358 29.700 -0.636 0.000 0.795 20 E HN 0.321 nan 8.360 nan 0.000 0.492 21 S N 0.813 116.390 115.700 -0.205 0.000 2.562 21 S HA 0.000 4.471 4.470 0.001 0.000 0.281 21 S C 1.307 175.865 174.600 -0.070 0.000 1.333 21 S CA -0.085 58.045 58.200 -0.117 0.000 1.052 21 S CB 0.986 64.115 63.200 -0.118 0.000 0.884 21 S HN 0.218 nan 8.310 nan 0.000 0.506 22 S N 4.322 120.013 115.700 -0.014 0.000 2.555 22 S HA 0.065 4.535 4.470 0.001 0.000 0.230 22 S C 1.171 175.733 174.600 -0.064 0.000 0.978 22 S CA 0.337 58.566 58.200 0.049 0.000 0.934 22 S CB -0.417 62.919 63.200 0.226 0.000 0.766 22 S HN 0.721 nan 8.310 nan 0.000 0.533 23 L N 1.236 122.350 121.223 -0.182 0.000 2.667 23 L HA 0.418 4.758 4.340 0.001 0.000 0.232 23 L C 1.173 177.953 176.870 -0.149 0.000 1.138 23 L CA -0.333 54.333 54.840 -0.290 0.000 0.921 23 L CB -0.380 41.453 42.059 -0.377 0.000 1.180 23 L HN 0.291 nan 8.230 nan 0.000 0.487 24 A N -0.244 122.520 122.820 -0.094 0.000 2.555 24 A HA 0.062 4.383 4.320 0.001 0.000 0.233 24 A C -0.070 177.492 177.584 -0.037 0.000 1.060 24 A CA 0.099 52.103 52.037 -0.055 0.000 0.759 24 A CB 0.124 19.104 19.000 -0.034 0.000 0.995 24 A HN 0.382 nan 8.150 nan 0.000 0.506 25 C N 5.510 124.798 119.300 -0.020 0.000 2.437 25 C HA 0.600 5.060 4.460 0.001 0.000 0.307 25 C C -0.709 174.286 174.990 0.009 0.000 1.093 25 C CA -0.834 58.180 59.018 -0.007 0.000 1.463 25 C CB -1.448 26.287 27.740 -0.009 0.000 1.926 25 C HN 0.630 nan 8.230 nan 0.000 0.420 26 I N 4.661 125.241 120.570 0.017 0.000 2.460 26 I HA 0.701 4.871 4.170 0.001 0.000 0.298 26 I C 0.550 176.703 176.117 0.060 0.000 0.989 26 I CA -0.262 61.063 61.300 0.042 0.000 1.173 26 I CB 1.375 39.399 38.000 0.041 0.000 1.338 26 I HN 0.738 nan 8.210 nan 0.000 0.456 27 A N 5.277 128.143 122.820 0.077 0.000 2.401 27 A HA 0.608 4.929 4.320 0.001 0.000 0.310 27 A C -1.138 176.485 177.584 0.065 0.000 1.075 27 A CA -0.507 51.561 52.037 0.051 0.000 0.746 27 A CB 1.623 20.623 19.000 -0.001 0.000 1.277 27 A HN 0.846 nan 8.150 nan 0.000 0.425 28 H N 2.210 121.210 119.070 -0.116 0.000 2.589 28 H HA 0.619 5.175 4.556 0.001 0.000 0.335 28 H C -1.644 173.514 175.328 -0.282 0.000 1.019 28 H CA -0.356 55.493 56.048 -0.332 0.000 1.213 28 H CB 0.941 30.480 29.762 -0.372 0.000 1.472 28 H HN 0.563 nan 8.280 nan 0.000 0.508 29 I N 4.579 124.727 120.570 -0.704 0.000 2.465 29 I HA 0.158 4.328 4.170 0.001 0.000 0.291 29 I C -0.819 174.989 176.117 -0.515 0.000 1.014 29 I CA -0.789 60.242 61.300 -0.448 0.000 1.093 29 I CB 1.964 39.754 38.000 -0.349 0.000 1.267 29 I HN 0.483 nan 8.210 nan 0.000 0.431 30 D N 6.902 127.146 120.400 -0.260 0.000 2.375 30 D HA 0.461 5.101 4.640 0.001 0.000 0.247 30 D C -0.467 175.780 176.300 -0.088 0.000 1.061 30 D CA -0.255 53.629 54.000 -0.194 0.000 0.834 30 D CB 2.293 43.041 40.800 -0.088 0.000 1.247 30 D HN 0.323 nan 8.370 nan 0.000 0.489 31 M N 2.338 121.870 119.600 -0.113 0.000 2.206 31 M HA 0.223 4.704 4.480 0.001 0.000 0.353 31 M C -0.167 176.149 176.300 0.027 0.000 1.242 31 M CA -0.621 54.656 55.300 -0.039 0.000 1.179 31 M CB 0.345 32.831 32.600 -0.190 0.000 1.374 31 M HN 0.049 nan 8.290 nan 0.000 0.427 32 N N 2.099 120.837 118.700 0.064 0.000 2.508 32 N HA 0.233 4.973 4.740 0.001 0.000 0.264 32 N C 0.566 176.197 175.510 0.202 0.000 1.216 32 N CA 0.278 53.401 53.050 0.122 0.000 0.943 32 N CB 1.018 39.559 38.487 0.090 0.000 1.113 32 N HN 0.839 nan 8.380 nan 0.000 0.447 33 A N 1.096 124.026 122.820 0.183 0.000 2.596 33 A HA -0.255 4.065 4.320 0.001 0.000 0.300 33 A C 1.092 178.732 177.584 0.093 0.000 1.495 33 A CA 0.493 52.587 52.037 0.096 0.000 0.769 33 A CB -2.214 16.873 19.000 0.145 0.000 1.047 33 A HN 0.664 nan 8.150 nan 0.000 0.436 34 F N 0.182 120.085 119.950 -0.080 0.000 2.065 34 F HA -0.159 4.369 4.527 0.001 0.000 0.298 34 F C 1.737 177.559 175.800 0.038 0.000 1.112 34 F CA 2.703 60.665 58.000 -0.064 0.000 1.212 34 F CB -0.483 38.488 39.000 -0.050 0.000 0.975 34 F HN 0.458 nan 8.300 nan 0.000 0.476 35 F N 0.557 120.224 119.950 -0.471 0.000 2.161 35 F HA -0.162 4.365 4.527 0.001 0.000 0.300 35 F C 2.641 178.196 175.800 -0.408 0.000 1.089 35 F CA 0.886 58.426 58.000 -0.766 0.000 1.282 35 F CB -1.905 36.570 39.000 -0.875 0.000 1.010 35 F HN 0.099 nan 8.300 nan 0.000 0.485 36 A N -0.549 122.240 122.820 -0.052 0.000 1.898 36 A HA -0.186 4.134 4.320 0.001 0.000 0.216 36 A C 2.207 179.782 177.584 -0.015 0.000 1.181 36 A CA 1.262 53.282 52.037 -0.029 0.000 0.620 36 A CB -0.734 18.254 19.000 -0.021 0.000 0.819 36 A HN 0.404 nan 8.150 nan 0.000 0.442 37 Q N -0.437 119.345 119.800 -0.031 0.000 2.084 37 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 37 Q C 2.183 178.211 176.000 0.046 0.000 0.978 37 Q CA 1.667 57.489 55.803 0.032 0.000 0.844 37 Q CB -0.328 28.436 28.738 0.043 0.000 0.898 37 Q HN 0.507 nan 8.270 nan 0.000 0.426 38 V N 1.317 121.124 119.914 -0.178 0.000 2.295 38 V HA -0.242 3.878 4.120 0.001 0.000 0.246 38 V C 2.137 178.258 176.094 0.045 0.000 1.049 38 V CA 1.756 64.020 62.300 -0.060 0.000 1.024 38 V CB -0.438 31.268 31.823 -0.194 0.000 0.648 38 V HN 0.309 nan 8.190 nan 0.000 0.447 39 E N -0.189 120.033 120.200 0.036 0.000 2.106 39 E HA -0.230 4.120 4.350 0.001 0.000 0.192 39 E C 2.157 178.754 176.600 -0.005 0.000 0.984 39 E CA 1.236 57.640 56.400 0.006 0.000 0.806 39 E CB -0.428 29.294 29.700 0.037 0.000 0.750 39 E HN 0.708 nan 8.360 nan 0.000 0.458 40 Q N 0.015 119.831 119.800 0.025 0.000 2.002 40 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 40 Q C 1.983 178.003 176.000 0.034 0.000 0.988 40 Q CA 1.482 57.304 55.803 0.032 0.000 0.843 40 Q CB -0.033 28.741 28.738 0.059 0.000 0.908 40 Q HN 0.165 nan 8.270 nan 0.000 0.420 41 M N 0.224 119.870 119.600 0.076 0.000 2.213 41 M HA -0.134 4.347 4.480 0.001 0.000 0.263 41 M C 2.224 178.526 176.300 0.004 0.000 1.062 41 M CA 1.443 56.772 55.300 0.048 0.000 1.105 41 M CB -1.046 31.600 32.600 0.077 0.000 1.385 41 M HN 0.281 nan 8.290 nan 0.000 0.417 42 R N -0.242 120.252 120.500 -0.009 0.000 2.073 42 R HA -0.137 4.204 4.340 0.001 0.000 0.234 42 R C 1.555 177.808 176.300 -0.080 0.000 1.134 42 R CA 1.783 57.843 56.100 -0.067 0.000 0.952 42 R CB -0.132 30.075 30.300 -0.155 0.000 0.850 42 R HN 0.387 nan 8.270 nan 0.000 0.433 43 C N 0.736 119.993 119.300 -0.073 0.000 2.578 43 C HA 0.338 4.798 4.460 0.001 0.000 0.285 43 C C 1.124 176.096 174.990 -0.030 0.000 1.297 43 C CA 0.109 59.092 59.018 -0.058 0.000 1.690 43 C CB -0.822 26.886 27.740 -0.053 0.000 1.773 43 C HN 0.818 nan 8.230 nan 0.000 0.594 44 G N 1.222 110.008 108.800 -0.024 0.000 2.225 44 G HA2 -0.250 3.711 3.960 0.001 0.000 0.267 44 G HA3 -0.250 3.711 3.960 0.001 0.000 0.267 44 G C -0.021 174.876 174.900 -0.005 0.000 1.024 44 G CA 0.152 45.243 45.100 -0.015 0.000 0.784 44 G HN 0.582 nan 8.290 nan 0.000 0.507 45 L N 0.152 121.376 121.223 0.001 0.000 2.448 45 L HA 0.706 5.046 4.340 0.001 0.000 0.258 45 L C 1.280 178.161 176.870 0.018 0.000 1.104 45 L CA -0.272 54.573 54.840 0.009 0.000 0.800 45 L CB 1.308 43.372 42.059 0.008 0.000 1.241 45 L HN 0.401 nan 8.230 nan 0.000 0.472 46 S N -0.926 114.788 115.700 0.023 0.000 2.722 46 S HA 0.269 4.740 4.470 0.001 0.000 0.292 46 S C 0.473 175.100 174.600 0.045 0.000 1.135 46 S CA -0.790 57.429 58.200 0.031 0.000 1.003 46 S CB 1.466 64.682 63.200 0.027 0.000 1.067 46 S HN 0.709 nan 8.310 nan 0.000 0.546 47 K N -1.165 119.267 120.400 0.054 0.000 2.504 47 K HA 0.092 4.412 4.320 0.001 0.000 0.195 47 K C 1.526 178.168 176.600 0.070 0.000 1.036 47 K CA 1.189 57.518 56.287 0.070 0.000 0.984 47 K CB -0.677 31.866 32.500 0.072 0.000 0.788 47 K HN 0.725 nan 8.250 nan 0.000 0.488 48 E N 1.950 122.184 120.200 0.057 0.000 2.447 48 E HA -0.002 4.348 4.350 0.001 0.000 0.195 48 E C -0.124 176.514 176.600 0.062 0.000 1.028 48 E CA 0.316 56.752 56.400 0.061 0.000 0.876 48 E CB -0.249 29.480 29.700 0.049 0.000 0.885 48 E HN 0.376 nan 8.360 nan 0.000 0.500 49 D N 1.387 121.814 120.400 0.046 0.000 2.304 49 D HA 0.151 4.792 4.640 0.001 0.000 0.250 49 D C -2.199 174.113 176.300 0.021 0.000 1.107 49 D CA -1.893 52.124 54.000 0.028 0.000 0.885 49 D CB 1.768 42.576 40.800 0.013 0.000 1.192 49 D HN 0.112 nan 8.370 nan 0.000 0.436 50 P HA -0.006 nan 4.420 nan 0.000 0.230 50 P C 0.120 177.370 177.300 -0.084 0.000 1.791 50 P CA -0.256 62.816 63.100 -0.048 0.000 1.020 50 P CB -0.104 31.501 31.700 -0.158 0.000 1.977 51 V N 0.724 120.608 119.914 -0.049 0.000 2.686 51 V HA 0.555 4.675 4.120 0.001 0.000 0.295 51 V C -0.194 175.849 176.094 -0.085 0.000 1.057 51 V CA -0.589 61.671 62.300 -0.066 0.000 1.012 51 V CB 1.894 33.699 31.823 -0.030 0.000 1.006 51 V HN 0.087 nan 8.190 nan 0.000 0.477 52 V N 4.634 124.477 119.914 -0.117 0.000 2.733 52 V HA 0.404 4.524 4.120 0.001 0.000 0.306 52 V C -0.304 175.716 176.094 -0.122 0.000 1.084 52 V CA -0.513 61.709 62.300 -0.130 0.000 0.905 52 V CB 1.748 33.467 31.823 -0.173 0.000 1.010 52 V HN 1.380 nan 8.190 nan 0.000 0.424 53 C N 7.379 126.624 119.300 -0.091 0.000 2.394 53 C HA 0.746 5.206 4.460 0.001 0.000 0.362 53 C C 0.068 174.992 174.990 -0.109 0.000 1.268 53 C CA -0.101 58.878 59.018 -0.065 0.000 1.828 53 C CB -0.322 27.401 27.740 -0.028 0.000 2.442 53 C HN 0.713 nan 8.230 nan 0.000 0.549 54 V N 6.145 125.973 119.914 -0.143 0.000 2.881 54 V HA 0.591 4.711 4.120 0.001 0.000 0.316 54 V C -0.365 175.435 176.094 -0.489 0.000 1.070 54 V CA -0.444 61.728 62.300 -0.214 0.000 0.976 54 V CB 1.842 33.577 31.823 -0.147 0.000 1.038 54 V HN 0.846 nan 8.190 nan 0.000 0.446 55 Q N 2.268 121.806 119.800 -0.438 0.000 2.309 55 Q HA 0.368 4.709 4.340 0.001 0.000 0.254 55 Q C -1.073 174.772 176.000 -0.257 0.000 0.938 55 Q CA -0.407 54.972 55.803 -0.706 0.000 0.789 55 Q CB 1.092 29.560 28.738 -0.450 0.000 1.313 55 Q HN 0.786 nan 8.270 nan 0.000 0.438 56 W N 1.576 123.044 121.300 0.279 0.000 2.504 56 W HA -0.432 4.228 4.660 0.000 0.000 0.200 56 W C 0.637 177.295 176.519 0.232 0.000 0.681 56 W CA 0.808 58.324 57.345 0.285 0.000 0.906 56 W CB -1.002 28.574 29.460 0.193 0.000 1.024 56 W HN 0.718 nan 8.180 nan 0.000 0.429 57 N N 0.714 119.691 118.700 0.460 0.000 2.567 57 N HA 0.050 4.790 4.740 0.001 0.000 0.195 57 N C -0.261 175.354 175.510 0.174 0.000 1.242 57 N CA 0.288 53.503 53.050 0.275 0.000 0.884 57 N CB -0.106 38.514 38.487 0.221 0.000 1.007 57 N HN 0.130 nan 8.380 nan 0.000 0.450 58 S N 0.387 116.180 115.700 0.157 0.000 2.687 58 S HA 0.485 4.955 4.470 0.001 0.000 0.283 58 S C 0.035 174.635 174.600 0.000 0.000 1.170 58 S CA -0.590 57.655 58.200 0.074 0.000 1.008 58 S CB 1.788 65.041 63.200 0.090 0.000 1.026 58 S HN 0.040 nan 8.310 nan 0.000 0.541 59 I N 1.722 122.275 120.570 -0.028 0.000 2.433 59 I HA 0.351 4.522 4.170 0.001 0.000 0.292 59 I C 0.554 176.630 176.117 -0.069 0.000 1.001 59 I CA -0.441 60.816 61.300 -0.072 0.000 1.119 59 I CB 1.511 39.460 38.000 -0.085 0.000 1.289 59 I HN 0.715 nan 8.210 nan 0.000 0.438 60 I N 2.405 122.927 120.570 -0.081 0.000 4.082 60 I HA 0.635 4.806 4.170 0.001 0.000 0.337 60 I C 0.406 176.440 176.117 -0.139 0.000 1.352 60 I CA -0.047 61.204 61.300 -0.083 0.000 1.097 60 I CB 0.663 38.644 38.000 -0.031 0.000 1.048 60 I HN 0.466 nan 8.210 nan 0.000 0.393 61 A N 1.077 123.821 122.820 -0.127 0.000 2.512 61 A HA 0.685 5.005 4.320 0.001 0.000 0.294 61 A C -1.210 176.298 177.584 -0.125 0.000 1.054 61 A CA -0.370 51.579 52.037 -0.148 0.000 0.756 61 A CB 1.535 20.452 19.000 -0.138 0.000 1.293 61 A HN -0.018 nan 8.150 nan 0.000 0.395 62 V N 2.795 122.621 119.914 -0.146 0.000 2.409 62 V HA 0.542 4.662 4.120 0.001 0.000 0.291 62 V C 0.809 176.803 176.094 -0.167 0.000 1.020 62 V CA -0.213 61.994 62.300 -0.155 0.000 0.848 62 V CB 1.447 33.162 31.823 -0.180 0.000 0.990 62 V HN 1.182 nan 8.190 nan 0.000 0.430 63 S N 3.610 119.257 115.700 -0.088 0.000 2.573 63 S HA 0.171 4.642 4.470 0.001 0.000 0.277 63 S C 0.656 175.224 174.600 -0.054 0.000 1.346 63 S CA -0.013 58.184 58.200 -0.006 0.000 1.034 63 S CB 0.259 63.479 63.200 0.033 0.000 0.879 63 S HN 0.539 nan 8.310 nan 0.000 0.528 64 Y N 1.052 121.364 120.300 0.020 0.000 2.497 64 Y HA 0.073 4.623 4.550 0.000 0.000 0.292 64 Y C 2.564 178.490 175.900 0.044 0.000 1.137 64 Y CA 0.923 59.038 58.100 0.025 0.000 1.285 64 Y CB -0.855 37.618 38.460 0.021 0.000 0.991 64 Y HN 0.877 nan 8.280 nan 0.000 0.556 65 A N -0.373 122.542 122.820 0.159 0.000 1.969 65 A HA -0.013 4.307 4.320 0.001 0.000 0.218 65 A C 2.339 180.040 177.584 0.195 0.000 1.169 65 A CA 1.525 53.653 52.037 0.152 0.000 0.635 65 A CB -0.806 18.268 19.000 0.122 0.000 0.810 65 A HN 0.348 nan 8.150 nan 0.000 0.445 66 A N -0.512 122.374 122.820 0.109 0.000 2.030 66 A HA 0.067 4.387 4.320 0.001 0.000 0.215 66 A C 2.093 179.753 177.584 0.126 0.000 1.164 66 A CA 0.638 52.740 52.037 0.109 0.000 0.697 66 A CB -0.278 18.697 19.000 -0.042 0.000 0.827 66 A HN 0.481 nan 8.150 nan 0.000 0.457 67 R N 0.332 120.834 120.500 0.004 0.000 2.152 67 R HA -0.064 4.276 4.340 0.001 0.000 0.232 67 R C 1.436 177.743 176.300 0.012 0.000 1.117 67 R CA 1.232 57.300 56.100 -0.054 0.000 0.981 67 R CB -0.235 29.934 30.300 -0.218 0.000 0.870 67 R HN 0.437 nan 8.270 nan 0.000 0.451 68 K N -0.134 120.293 120.400 0.045 0.000 2.519 68 K HA -0.128 4.193 4.320 0.001 0.000 0.196 68 K C 0.429 176.916 176.600 -0.187 0.000 1.041 68 K CA 0.950 57.198 56.287 -0.066 0.000 0.954 68 K CB 0.120 32.551 32.500 -0.115 0.000 0.774 68 K HN 0.268 nan 8.250 nan 0.000 0.480 69 Y N -0.394 119.885 120.300 -0.034 0.000 2.555 69 Y HA 0.195 4.745 4.550 0.001 0.000 0.259 69 Y C 1.249 177.127 175.900 -0.037 0.000 1.179 69 Y CA -0.077 58.004 58.100 -0.032 0.000 1.230 69 Y CB 0.886 39.325 38.460 -0.035 0.000 1.146 69 Y HN 0.152 nan 8.280 nan 0.000 0.526 70 G N 0.930 109.766 108.800 0.060 0.000 2.143 70 G HA2 -0.299 3.662 3.960 0.001 0.000 0.248 70 G HA3 -0.299 3.662 3.960 0.001 0.000 0.248 70 G C 0.049 174.956 174.900 0.011 0.000 0.991 70 G CA 0.023 45.135 45.100 0.020 0.000 0.689 70 G HN 0.339 nan 8.290 nan 0.000 0.522 71 I N 1.479 122.058 120.570 0.014 0.000 2.396 71 I HA 0.558 4.729 4.170 0.001 0.000 0.292 71 I C 0.860 176.941 176.117 -0.060 0.000 0.999 71 I CA 0.224 61.510 61.300 -0.024 0.000 1.310 71 I CB 1.611 39.590 38.000 -0.036 0.000 1.404 71 I HN 0.401 nan 8.210 nan 0.000 0.496 72 S N 4.603 120.266 115.700 -0.062 0.000 2.685 72 S HA 0.481 4.951 4.470 0.001 0.000 0.282 72 S C 0.293 174.851 174.600 -0.069 0.000 1.159 72 S CA -0.981 57.173 58.200 -0.077 0.000 0.833 72 S CB 1.664 64.826 63.200 -0.063 0.000 1.151 72 S HN 0.567 nan 8.310 nan 0.000 0.485 73 R N -0.226 120.231 120.500 -0.072 0.000 2.357 73 R HA 0.219 4.559 4.340 0.001 0.000 0.202 73 R C 1.522 177.800 176.300 -0.036 0.000 1.047 73 R CA 1.106 57.170 56.100 -0.060 0.000 1.034 73 R CB -0.550 29.711 30.300 -0.066 0.000 0.875 73 R HN 0.638 nan 8.270 nan 0.000 0.473 74 M N -0.100 119.481 119.600 -0.032 0.000 2.541 74 M HA 0.019 4.500 4.480 0.001 0.000 0.252 74 M C -0.363 175.930 176.300 -0.011 0.000 1.125 74 M CA 0.471 55.761 55.300 -0.017 0.000 1.091 74 M CB 0.427 33.017 32.600 -0.017 0.000 1.420 74 M HN -0.055 nan 8.290 nan 0.000 0.486 75 D N 1.353 121.741 120.400 -0.019 0.000 2.264 75 D HA 0.177 4.818 4.640 0.001 0.000 0.249 75 D C 0.388 176.684 176.300 -0.008 0.000 1.070 75 D CA 0.111 54.102 54.000 -0.015 0.000 0.912 75 D CB 1.193 41.977 40.800 -0.026 0.000 1.193 75 D HN 0.139 nan 8.370 nan 0.000 0.427 76 T N -1.712 112.846 114.554 0.007 0.000 2.816 76 T HA 0.319 4.669 4.350 0.001 0.000 0.282 76 T C 1.855 176.558 174.700 0.006 0.000 0.993 76 T CA -0.682 61.434 62.100 0.026 0.000 0.994 76 T CB 0.624 69.520 68.868 0.047 0.000 1.025 76 T HN 0.277 nan 8.240 nan 0.000 0.529 77 I N 0.669 121.252 120.570 0.022 0.000 2.163 77 I HA -0.209 3.961 4.170 0.001 0.000 0.243 77 I C 2.947 179.053 176.117 -0.017 0.000 1.085 77 I CA 1.222 62.505 61.300 -0.029 0.000 1.347 77 I CB -0.448 37.564 38.000 0.020 0.000 1.044 77 I HN 0.612 nan 8.210 nan 0.000 0.408 78 Q N 0.837 120.664 119.800 0.046 0.000 2.096 78 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 78 Q C 2.057 178.066 176.000 0.014 0.000 0.982 78 Q CA 1.647 57.478 55.803 0.047 0.000 0.850 78 Q CB -0.358 28.423 28.738 0.071 0.000 0.901 78 Q HN 0.624 nan 8.270 nan 0.000 0.422 79 E N 0.444 120.650 120.200 0.009 0.000 2.106 79 E HA -0.113 4.237 4.350 0.001 0.000 0.192 79 E C 1.929 178.518 176.600 -0.019 0.000 0.984 79 E CA 0.898 57.298 56.400 0.000 0.000 0.806 79 E CB -0.091 29.611 29.700 0.003 0.000 0.750 79 E HN 0.321 nan 8.360 nan 0.000 0.458 80 A N 1.316 124.111 122.820 -0.042 0.000 1.930 80 A HA -0.126 4.195 4.320 0.001 0.000 0.217 80 A C 2.193 179.720 177.584 -0.095 0.000 1.175 80 A CA 0.876 52.869 52.037 -0.073 0.000 0.627 80 A CB -0.583 18.354 19.000 -0.107 0.000 0.815 80 A HN 0.126 nan 8.150 nan 0.000 0.443 81 L N -0.573 120.595 121.223 -0.092 0.000 2.131 81 L HA -0.223 4.117 4.340 0.001 0.000 0.210 81 L C 3.185 180.020 176.870 -0.059 0.000 1.092 81 L CA 1.710 56.495 54.840 -0.093 0.000 0.759 81 L CB -0.521 41.504 42.059 -0.057 0.000 0.903 81 L HN 0.538 nan 8.230 nan 0.000 0.435 82 K N 0.574 120.956 120.400 -0.030 0.000 2.097 82 K HA -0.150 4.171 4.320 0.001 0.000 0.205 82 K C 2.021 178.619 176.600 -0.004 0.000 1.050 82 K CA 1.383 57.665 56.287 -0.009 0.000 0.938 82 K CB -0.484 32.018 32.500 0.004 0.000 0.718 82 K HN 0.371 nan 8.250 nan 0.000 0.442 83 K N -1.325 119.070 120.400 -0.009 0.000 2.228 83 K HA 0.069 4.390 4.320 0.001 0.000 0.202 83 K C 0.471 177.087 176.600 0.027 0.000 1.051 83 K CA 0.601 56.906 56.287 0.030 0.000 0.960 83 K CB -0.092 32.431 32.500 0.039 0.000 0.743 83 K HN 0.393 nan 8.250 nan 0.000 0.458 84 C N 1.351 120.576 119.300 -0.125 0.000 2.381 84 C HA 0.235 4.695 4.460 0.001 0.000 0.328 84 C C 1.662 176.509 174.990 -0.237 0.000 1.190 84 C CA -0.736 58.068 59.018 -0.357 0.000 1.369 84 C CB 0.718 28.032 27.740 -0.710 0.000 2.029 84 C HN 0.527 nan 8.230 nan 0.000 0.448 85 S N 3.235 118.840 115.700 -0.158 0.000 2.406 85 S HA -0.130 4.341 4.470 0.001 0.000 0.228 85 S C 1.046 175.585 174.600 -0.102 0.000 1.020 85 S CA 1.409 59.556 58.200 -0.088 0.000 0.965 85 S CB -0.276 62.908 63.200 -0.028 0.000 0.798 85 S HN 0.937 nan 8.310 nan 0.000 0.488 86 N N 1.318 119.930 118.700 -0.147 0.000 2.376 86 N HA 0.180 4.920 4.740 0.001 0.000 0.249 86 N C -0.194 175.218 175.510 -0.163 0.000 1.140 86 N CA -0.456 52.525 53.050 -0.115 0.000 0.870 86 N CB -0.386 38.058 38.487 -0.071 0.000 1.124 86 N HN 0.364 nan 8.380 nan 0.000 0.505 87 L N 0.892 121.986 121.223 -0.214 0.000 2.485 87 L HA 0.211 4.551 4.340 0.001 0.000 0.275 87 L C 0.000 176.756 176.870 -0.191 0.000 1.207 87 L CA 0.446 55.142 54.840 -0.239 0.000 0.855 87 L CB 0.363 42.263 42.059 -0.264 0.000 1.114 87 L HN 0.181 nan 8.230 nan 0.000 0.485 88 I N 6.769 127.228 120.570 -0.184 0.000 2.555 88 I HA 0.289 4.460 4.170 0.001 0.000 0.275 88 I C -2.246 173.748 176.117 -0.205 0.000 1.082 88 I CA -1.569 59.643 61.300 -0.147 0.000 1.167 88 I CB 0.968 38.922 38.000 -0.077 0.000 1.312 88 I HN 0.503 nan 8.210 nan 0.000 0.493 89 P HA 0.364 nan 4.420 nan 0.000 0.285 89 P C -0.619 176.535 177.300 -0.243 0.000 1.259 89 P CA -0.098 62.696 63.100 -0.510 0.000 0.794 89 P CB 1.769 32.765 31.700 -1.173 0.000 0.940 90 I N 2.854 123.374 120.570 -0.082 0.000 2.439 90 I HA 0.233 4.404 4.170 0.001 0.000 0.285 90 I C 0.736 176.975 176.117 0.203 0.000 1.021 90 I CA -0.876 60.502 61.300 0.130 0.000 1.091 90 I CB 1.382 39.425 38.000 0.073 0.000 1.242 90 I HN 0.436 nan 8.210 nan 0.000 0.439 91 H N 4.521 123.781 119.070 0.317 0.000 2.707 91 H HA 0.139 4.696 4.556 0.001 0.000 0.359 91 H C -0.030 175.408 175.328 0.183 0.000 1.113 91 H CA 0.556 56.744 56.048 0.232 0.000 1.422 91 H CB 1.490 31.393 29.762 0.236 0.000 1.443 91 H HN 0.523 nan 8.280 nan 0.000 0.591 92 T N 1.940 116.491 114.554 -0.004 0.000 2.856 92 T HA 0.348 4.698 4.350 0.001 0.000 0.306 92 T C 0.039 174.747 174.700 0.013 0.000 1.062 92 T CA -0.082 62.046 62.100 0.046 0.000 1.083 92 T CB -0.044 68.747 68.868 -0.128 0.000 0.984 92 T HN 0.722 nan 8.240 nan 0.000 0.542 93 A N 2.341 124.827 122.820 -0.556 0.000 2.406 93 A HA 0.565 4.885 4.320 0.001 0.000 0.243 93 A C -0.066 177.347 177.584 -0.284 0.000 1.082 93 A CA -0.438 51.117 52.037 -0.804 0.000 0.786 93 A CB 0.361 18.512 19.000 -1.415 0.000 1.029 93 A HN 0.853 nan 8.150 nan 0.000 0.495 94 V N 1.011 120.871 119.914 -0.089 0.000 3.087 94 V HA 0.643 4.763 4.120 0.001 0.000 0.306 94 V C -1.459 174.733 176.094 0.164 0.000 1.187 94 V CA -0.783 61.583 62.300 0.109 0.000 0.999 94 V CB 1.880 33.815 31.823 0.188 0.000 1.049 94 V HN 0.770 nan 8.190 nan 0.000 0.431 95 F N 4.011 124.116 119.950 0.259 0.000 2.379 95 F HA 0.558 5.085 4.527 0.000 0.000 0.332 95 F C 0.415 176.315 175.800 0.167 0.000 1.096 95 F CA -0.070 58.018 58.000 0.147 0.000 1.105 95 F CB 1.292 40.376 39.000 0.140 0.000 1.189 95 F HN 0.362 nan 8.300 nan 0.000 0.515 96 K N 2.970 123.458 120.400 0.146 0.000 2.123 96 K HA 0.243 4.563 4.320 0.001 0.000 0.259 96 K C -0.334 176.076 176.600 -0.317 0.000 0.960 96 K CA -0.898 55.333 56.287 -0.094 0.000 0.872 96 K CB 1.133 33.573 32.500 -0.101 0.000 1.079 96 K HN 0.590 nan 8.250 nan 0.000 0.440 97 K N 2.108 122.146 120.400 -0.603 0.000 2.473 97 K HA -0.088 4.233 4.320 0.001 0.000 0.277 97 K C 0.397 176.626 176.600 -0.618 0.000 1.052 97 K CA 1.604 57.303 56.287 -0.980 0.000 1.114 97 K CB -0.303 31.467 32.500 -1.216 0.000 0.869 97 K HN 0.894 nan 8.250 nan 0.000 0.481 98 G N 3.036 111.508 108.800 -0.548 0.000 2.175 98 G HA2 -0.228 3.733 3.960 0.001 0.000 0.244 98 G HA3 -0.228 3.733 3.960 0.001 0.000 0.244 98 G C -0.460 174.302 174.900 -0.231 0.000 0.982 98 G CA 0.234 45.128 45.100 -0.344 0.000 0.641 98 G HN 0.663 nan 8.290 nan 0.000 0.527 99 E N 0.339 120.388 120.200 -0.251 0.000 2.277 99 E HA 0.487 4.838 4.350 0.001 0.000 0.266 99 E C -0.660 175.847 176.600 -0.154 0.000 0.901 99 E CA -0.402 55.847 56.400 -0.251 0.000 0.782 99 E CB 1.234 30.585 29.700 -0.582 0.000 1.228 99 E HN 0.217 nan 8.360 nan 0.000 0.424 100 D N 1.133 121.527 120.400 -0.010 0.000 2.615 100 D HA 0.129 4.769 4.640 0.001 0.000 0.236 100 D C -0.418 176.092 176.300 0.350 0.000 1.233 100 D CA -0.343 53.753 54.000 0.160 0.000 0.829 100 D CB -0.609 40.270 40.800 0.132 0.000 1.024 100 D HN 0.264 nan 8.370 nan 0.000 0.490 101 F N -1.427 118.671 119.950 0.247 0.000 2.619 101 F HA 0.631 5.158 4.527 0.000 0.000 0.308 101 F C -0.625 174.980 175.800 -0.325 0.000 1.097 101 F CA -2.041 55.916 58.000 -0.071 0.000 0.953 101 F CB 0.781 39.648 39.000 -0.222 0.000 1.287 101 F HN -0.076 nan 8.300 nan 0.000 0.446 102 W N 1.957 122.909 121.300 -0.580 0.000 2.253 102 W HA 0.770 5.431 4.660 0.001 0.000 0.348 102 W C -1.430 174.944 176.519 -0.243 0.000 1.229 102 W CA -0.848 56.021 57.345 -0.793 0.000 1.335 102 W CB 0.993 29.833 29.460 -1.034 0.000 1.165 102 W HN 0.970 nan 8.180 nan 0.000 0.631 103 Q N 0.737 120.614 119.800 0.128 0.000 2.426 103 Q HA 0.290 4.630 4.340 0.001 0.000 0.278 103 Q C -2.202 173.726 176.000 -0.119 0.000 1.007 103 Q CA -0.687 55.144 55.803 0.047 0.000 0.850 103 Q CB 2.524 31.260 28.738 -0.003 0.000 1.427 103 Q HN 0.555 nan 8.270 nan 0.000 0.391 104 Y N 1.465 121.736 120.300 -0.048 0.000 2.320 104 Y HA 0.308 4.859 4.550 0.000 0.000 0.324 104 Y C 0.123 175.835 175.900 -0.314 0.000 1.190 104 Y CA -0.100 57.955 58.100 -0.076 0.000 1.215 104 Y CB 1.100 39.571 38.460 0.018 0.000 1.221 104 Y HN 0.520 nan 8.280 nan 0.000 0.486 105 H N 2.210 121.399 119.070 0.199 0.000 2.336 105 H HA 0.143 4.699 4.556 0.000 0.000 0.230 105 H C -0.970 174.408 175.328 0.083 0.000 1.426 105 H CA -0.699 55.395 56.048 0.076 0.000 1.359 105 H CB 0.098 29.831 29.762 -0.048 0.000 1.555 105 H HN 0.715 nan 8.280 nan 0.000 0.512 106 D N 0.438 120.942 120.400 0.174 0.000 2.472 106 D HA 0.110 4.750 4.640 0.001 0.000 0.237 106 D C 1.575 177.939 176.300 0.107 0.000 1.141 106 D CA 1.483 55.569 54.000 0.143 0.000 0.875 106 D CB 1.108 41.956 40.800 0.079 0.000 1.192 106 D HN 0.785 nan 8.370 nan 0.000 0.450 107 G N 0.752 109.622 108.800 0.117 0.000 2.176 107 G HA2 -0.259 3.702 3.960 0.001 0.000 0.253 107 G HA3 -0.259 3.702 3.960 0.001 0.000 0.253 107 G C 0.259 175.126 174.900 -0.055 0.000 0.979 107 G CA 0.314 45.450 45.100 0.059 0.000 0.641 107 G HN 0.620 nan 8.290 nan 0.000 0.530 108 C N -0.098 119.147 119.300 -0.092 0.000 2.529 108 C HA 1.020 5.481 4.460 0.001 0.000 0.329 108 C C 0.745 175.412 174.990 -0.538 0.000 1.194 108 C CA 0.342 59.205 59.018 -0.258 0.000 1.779 108 C CB 1.069 28.713 27.740 -0.160 0.000 2.322 108 C HN 1.875 nan 8.230 nan 0.000 0.500 109 G N 0.670 109.037 108.800 -0.721 0.000 2.352 109 G HA2 0.327 4.287 3.960 0.001 0.000 0.305 109 G HA3 0.327 4.287 3.960 0.001 0.000 0.305 109 G C 0.376 174.843 174.900 -0.721 0.000 1.537 109 G CA 0.233 44.762 45.100 -0.951 0.000 0.959 109 G HN 1.144 nan 8.290 nan 0.000 0.668 110 S N -1.031 114.556 115.700 -0.188 0.000 2.407 110 S HA -0.223 4.247 4.470 0.001 0.000 0.235 110 S C 1.952 176.577 174.600 0.041 0.000 1.036 110 S CA 2.523 60.738 58.200 0.025 0.000 1.013 110 S CB -0.696 62.642 63.200 0.230 0.000 0.820 110 S HN 1.648 nan 8.310 nan 0.000 0.476 111 W N 3.020 124.364 121.300 0.073 0.000 2.800 111 W HA 0.413 5.074 4.660 0.001 0.000 0.249 111 W C 0.414 176.956 176.519 0.039 0.000 1.294 111 W CA -0.049 57.327 57.345 0.051 0.000 1.402 111 W CB -0.786 28.700 29.460 0.044 0.000 1.126 111 W HN 0.194 nan 8.180 nan 0.000 0.652 112 V N 0.163 119.794 119.914 -0.472 0.000 2.461 112 V HA 0.599 4.719 4.120 0.001 0.000 0.275 112 V C 1.321 177.339 176.094 -0.128 0.000 1.047 112 V CA 0.171 62.301 62.300 -0.283 0.000 0.955 112 V CB 0.577 32.155 31.823 -0.407 0.000 0.988 112 V HN 0.350 nan 8.190 nan 0.000 0.471 113 Q N 2.874 122.648 119.800 -0.044 0.000 2.061 113 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 113 Q C 1.278 177.255 176.000 -0.037 0.000 0.984 113 Q CA 1.968 57.758 55.803 -0.021 0.000 0.846 113 Q CB -0.784 27.955 28.738 0.003 0.000 0.902 113 Q HN 1.009 nan 8.270 nan 0.000 0.421 114 D N 0.804 121.178 120.400 -0.044 0.000 2.570 114 D HA -0.048 4.592 4.640 0.001 0.000 0.243 114 D C -1.377 174.891 176.300 -0.054 0.000 1.171 114 D CA -0.824 53.151 54.000 -0.042 0.000 0.879 114 D CB 1.292 42.065 40.800 -0.044 0.000 1.143 114 D HN 0.292 nan 8.370 nan 0.000 0.511 115 P HA -0.055 nan 4.420 nan 0.000 0.229 115 P C 0.614 177.890 177.300 -0.040 0.000 1.160 115 P CA 0.477 63.556 63.100 -0.036 0.000 0.777 115 P CB 0.275 31.963 31.700 -0.021 0.000 0.814 116 A N -0.319 122.479 122.820 -0.038 0.000 2.275 116 A HA 0.095 4.415 4.320 0.001 0.000 0.212 116 A C 1.362 178.916 177.584 -0.050 0.000 1.201 116 A CA 0.531 52.547 52.037 -0.035 0.000 0.843 116 A CB -0.241 18.746 19.000 -0.022 0.000 0.873 116 A HN -0.069 nan 8.150 nan 0.000 0.492 117 K N 1.259 121.614 120.400 -0.075 0.000 3.135 117 K HA 0.267 4.588 4.320 0.001 0.000 0.210 117 K C -0.543 175.956 176.600 -0.169 0.000 1.176 117 K CA 0.013 56.236 56.287 -0.107 0.000 1.064 117 K CB 0.390 32.827 32.500 -0.105 0.000 1.009 117 K HN 0.405 nan 8.250 nan 0.000 0.472 118 Q N 0.221 119.931 119.800 -0.149 0.000 2.297 118 Q HA 0.505 4.845 4.340 0.001 0.000 0.268 118 Q C 0.017 175.897 176.000 -0.199 0.000 1.045 118 Q CA -0.659 55.044 55.803 -0.165 0.000 0.861 118 Q CB 2.274 30.957 28.738 -0.091 0.000 1.344 118 Q HN 0.204 nan 8.270 nan 0.000 0.452 119 I N 1.082 121.534 120.570 -0.197 0.000 2.502 119 I HA 0.120 4.291 4.170 0.001 0.000 0.276 119 I C 0.237 176.394 176.117 0.066 0.000 1.057 119 I CA -0.466 60.670 61.300 -0.273 0.000 1.163 119 I CB 1.441 39.146 38.000 -0.493 0.000 1.288 119 I HN 0.362 nan 8.210 nan 0.000 0.479 120 S N 3.473 119.262 115.700 0.149 0.000 2.546 120 S HA 0.022 4.493 4.470 0.001 0.000 0.290 120 S C 1.088 175.795 174.600 0.178 0.000 1.290 120 S CA -0.124 58.191 58.200 0.191 0.000 1.069 120 S CB 1.192 64.489 63.200 0.162 0.000 0.846 120 S HN 0.493 nan 8.310 nan 0.000 0.495 121 V N 5.027 124.828 119.914 -0.188 0.000 3.041 121 V HA 0.000 4.120 4.120 0.001 0.000 0.260 121 V C 1.970 177.897 176.094 -0.278 0.000 1.105 121 V CA 1.720 63.581 62.300 -0.732 0.000 1.125 121 V CB -0.614 30.616 31.823 -0.989 0.000 0.730 121 V HN 0.977 nan 8.190 nan 0.000 0.479 122 E N 0.789 120.938 120.200 -0.085 0.000 2.077 122 E HA -0.166 4.184 4.350 0.001 0.000 0.193 122 E C 1.020 177.727 176.600 0.179 0.000 0.989 122 E CA 1.538 57.948 56.400 0.017 0.000 0.800 122 E CB -0.104 29.605 29.700 0.016 0.000 0.746 122 E HN 0.867 nan 8.360 nan 0.000 0.452 123 D N -0.699 119.760 120.400 0.098 0.000 2.593 123 D HA 0.042 4.682 4.640 0.001 0.000 0.241 123 D C 0.031 176.184 176.300 -0.246 0.000 1.257 123 D CA -0.121 53.860 54.000 -0.032 0.000 0.828 123 D CB -0.045 40.596 40.800 -0.264 0.000 1.049 123 D HN 0.070 nan 8.370 nan 0.000 0.490 124 H N 0.264 119.546 119.070 0.353 0.000 2.865 124 H HA 0.559 5.115 4.556 0.000 0.000 0.372 124 H C -0.909 174.809 175.328 0.649 0.000 1.173 124 H CA -0.650 55.667 56.048 0.448 0.000 1.147 124 H CB 2.745 32.800 29.762 0.489 0.000 1.805 124 H HN -0.054 nan 8.280 nan 0.000 0.553 125 K N 1.599 122.483 120.400 0.807 0.000 2.553 125 K HA 0.280 4.600 4.320 0.001 0.000 0.250 125 K C -1.044 175.933 176.600 0.629 0.000 0.953 125 K CA -0.578 56.152 56.287 0.738 0.000 0.800 125 K CB 2.293 35.180 32.500 0.646 0.000 1.243 125 K HN 0.269 nan 8.250 nan 0.000 0.435 126 V N 2.478 122.699 119.914 0.512 0.000 2.694 126 V HA 0.009 4.129 4.120 0.001 0.000 0.306 126 V C 0.309 176.564 176.094 0.269 0.000 1.054 126 V CA 0.356 62.804 62.300 0.247 0.000 1.161 126 V CB 1.254 33.141 31.823 0.107 0.000 0.916 126 V HN 0.753 nan 8.190 nan 0.000 0.490 127 S N 4.515 120.269 115.700 0.090 0.000 2.473 127 S HA 0.591 5.061 4.470 0.001 0.000 0.307 127 S C 0.061 174.516 174.600 -0.243 0.000 1.094 127 S CA -0.802 57.404 58.200 0.010 0.000 1.070 127 S CB 1.052 64.085 63.200 -0.278 0.000 1.019 127 S HN 0.583 nan 8.310 nan 0.000 0.480 128 L N 3.606 124.742 121.223 -0.144 0.000 2.769 128 L HA 0.336 4.677 4.340 0.001 0.000 0.240 128 L C 1.927 178.598 176.870 -0.332 0.000 1.163 128 L CA -0.056 54.682 54.840 -0.171 0.000 0.962 128 L CB -0.011 42.098 42.059 0.082 0.000 1.258 128 L HN 0.611 nan 8.230 nan 0.000 0.513 129 E N 1.917 121.857 120.200 -0.434 0.000 2.085 129 E HA -0.171 4.180 4.350 0.001 0.000 0.194 129 E C -0.708 175.600 176.600 -0.487 0.000 0.994 129 E CA 1.790 57.980 56.400 -0.350 0.000 0.801 129 E CB -0.808 28.731 29.700 -0.268 0.000 0.743 129 E HN 0.231 nan 8.360 nan 0.000 0.453 130 P HA -0.162 nan 4.420 nan 0.000 0.216 130 P C 0.765 177.733 177.300 -0.553 0.000 1.150 130 P CA 1.508 64.142 63.100 -0.777 0.000 0.843 130 P CB -0.208 30.861 31.700 -1.052 0.000 0.787 131 Y N -0.762 119.337 120.300 -0.335 0.000 2.263 131 Y HA -0.068 4.483 4.550 0.001 0.000 0.292 131 Y C 2.559 178.507 175.900 0.080 0.000 1.130 131 Y CA 0.631 58.585 58.100 -0.244 0.000 1.179 131 Y CB -0.607 37.483 38.460 -0.616 0.000 0.998 131 Y HN -0.183 nan 8.280 nan 0.000 0.532 132 R N 0.295 120.868 120.500 0.123 0.000 2.096 132 R HA -0.116 4.225 4.340 0.001 0.000 0.235 132 R C 2.293 178.687 176.300 0.156 0.000 1.127 132 R CA 1.234 57.434 56.100 0.167 0.000 0.968 132 R CB -0.265 30.107 30.300 0.119 0.000 0.861 132 R HN 0.356 nan 8.270 nan 0.000 0.440 133 R N 0.425 120.985 120.500 0.100 0.000 2.073 133 R HA -0.100 4.240 4.340 0.001 0.000 0.234 133 R C 2.084 178.485 176.300 0.168 0.000 1.134 133 R CA 1.090 57.262 56.100 0.120 0.000 0.952 133 R CB -0.072 30.288 30.300 0.099 0.000 0.850 133 R HN 0.171 nan 8.270 nan 0.000 0.433 134 E N 0.239 120.568 120.200 0.214 0.000 2.106 134 E HA -0.135 4.215 4.350 0.001 0.000 0.192 134 E C 1.933 178.783 176.600 0.417 0.000 0.984 134 E CA 0.954 57.564 56.400 0.349 0.000 0.806 134 E CB -0.273 29.663 29.700 0.393 0.000 0.750 134 E HN 0.134 nan 8.360 nan 0.000 0.458 135 S N 0.543 116.483 115.700 0.400 0.000 2.356 135 S HA -0.140 4.330 4.470 0.001 0.000 0.223 135 S C 1.935 176.620 174.600 0.142 0.000 1.032 135 S CA 0.916 59.242 58.200 0.209 0.000 1.005 135 S CB 0.020 63.325 63.200 0.175 0.000 0.867 135 S HN 0.176 nan 8.310 nan 0.000 0.449 136 R N 0.650 121.237 120.500 0.145 0.000 2.127 136 R HA -0.040 4.300 4.340 0.001 0.000 0.238 136 R C 2.431 178.783 176.300 0.086 0.000 1.134 136 R CA 1.364 57.526 56.100 0.103 0.000 0.975 136 R CB -0.222 30.140 30.300 0.102 0.000 0.865 136 R HN 0.457 nan 8.270 nan 0.000 0.447 137 K N 0.208 120.674 120.400 0.110 0.000 2.057 137 K HA -0.082 4.238 4.320 0.001 0.000 0.207 137 K C 2.167 178.779 176.600 0.020 0.000 1.049 137 K CA 1.381 57.713 56.287 0.075 0.000 0.931 137 K CB -0.131 32.433 32.500 0.108 0.000 0.714 137 K HN 0.122 nan 8.250 nan 0.000 0.440 138 A N 1.480 124.322 122.820 0.036 0.000 1.898 138 A HA -0.146 4.174 4.320 0.001 0.000 0.216 138 A C 2.109 179.606 177.584 -0.144 0.000 1.181 138 A CA 1.055 53.012 52.037 -0.134 0.000 0.620 138 A CB -0.510 18.462 19.000 -0.047 0.000 0.819 138 A HN 0.218 nan 8.150 nan 0.000 0.442 139 L N 0.033 121.307 121.223 0.084 0.000 2.012 139 L HA -0.174 4.166 4.340 0.001 0.000 0.210 139 L C 2.233 179.154 176.870 0.086 0.000 1.073 139 L CA 2.324 57.269 54.840 0.175 0.000 0.748 139 L CB -0.569 41.540 42.059 0.082 0.000 0.891 139 L HN 0.357 nan 8.230 nan 0.000 0.431 140 K N -0.532 119.882 120.400 0.023 0.000 2.074 140 K HA -0.187 4.133 4.320 0.001 0.000 0.209 140 K C 2.068 178.657 176.600 -0.018 0.000 1.048 140 K CA 2.053 58.344 56.287 0.006 0.000 0.926 140 K CB -0.365 32.137 32.500 0.002 0.000 0.713 140 K HN 0.389 nan 8.250 nan 0.000 0.444 141 I N -0.001 120.512 120.570 -0.094 0.000 2.252 141 I HA -0.254 3.916 4.170 0.001 0.000 0.245 141 I C 2.006 178.060 176.117 -0.105 0.000 1.102 141 I CA 1.377 62.587 61.300 -0.151 0.000 1.385 141 I CB -0.311 37.520 38.000 -0.282 0.000 1.064 141 I HN 0.077 nan 8.210 nan 0.000 0.414 142 F N 1.216 121.154 119.950 -0.019 0.000 2.102 142 F HA -0.216 4.312 4.527 0.001 0.000 0.298 142 F C 2.525 178.309 175.800 -0.027 0.000 1.105 142 F CA 1.247 59.229 58.000 -0.030 0.000 1.239 142 F CB -0.344 38.625 39.000 -0.052 0.000 0.991 142 F HN -0.110 nan 8.300 nan 0.000 0.474 143 K N 0.118 120.617 120.400 0.166 0.000 2.280 143 K HA -0.128 4.192 4.320 0.001 0.000 0.202 143 K C 2.100 178.731 176.600 0.052 0.000 1.047 143 K CA 1.388 57.722 56.287 0.079 0.000 0.942 143 K CB -0.301 32.223 32.500 0.041 0.000 0.739 143 K HN 0.295 nan 8.250 nan 0.000 0.457 144 S N 0.030 115.756 115.700 0.043 0.000 2.461 144 S HA 0.026 4.496 4.470 0.001 0.000 0.228 144 S C 1.955 176.574 174.600 0.032 0.000 1.005 144 S CA 0.614 58.829 58.200 0.025 0.000 0.942 144 S CB 0.251 63.455 63.200 0.007 0.000 0.776 144 S HN 0.245 nan 8.310 nan 0.000 0.514 145 A N -0.513 122.337 122.820 0.051 0.000 2.197 145 A HA 0.465 4.786 4.320 0.001 0.000 0.210 145 A C 0.874 178.490 177.584 0.055 0.000 1.180 145 A CA 0.288 52.356 52.037 0.052 0.000 0.846 145 A CB -0.320 18.719 19.000 0.065 0.000 0.884 145 A HN 0.629 nan 8.150 nan 0.000 0.487 146 C N 0.952 120.289 119.300 0.061 0.000 2.482 146 C HA 0.519 4.979 4.460 0.001 0.000 0.317 146 C C 0.635 175.645 174.990 0.033 0.000 1.197 146 C CA -0.280 58.766 59.018 0.046 0.000 1.432 146 C CB 1.070 28.838 27.740 0.046 0.000 2.062 146 C HN 0.610 nan 8.230 nan 0.000 0.471 147 D N 3.024 123.439 120.400 0.025 0.000 2.348 147 D HA 0.023 4.663 4.640 0.001 0.000 0.216 147 D C 0.145 176.450 176.300 0.010 0.000 0.970 147 D CA 0.546 54.556 54.000 0.017 0.000 0.889 147 D CB 0.057 40.867 40.800 0.017 0.000 0.912 147 D HN 0.335 nan 8.370 nan 0.000 0.524 148 L N 0.916 122.143 121.223 0.007 0.000 2.471 148 L HA 0.407 4.747 4.340 0.001 0.000 0.263 148 L C -1.586 175.277 176.870 -0.011 0.000 0.985 148 L CA -0.927 53.911 54.840 -0.003 0.000 0.868 148 L CB 1.890 43.948 42.059 -0.002 0.000 1.203 148 L HN -0.178 nan 8.230 nan 0.000 0.429 149 V N 3.859 123.760 119.914 -0.022 0.000 2.487 149 V HA 0.513 4.633 4.120 0.001 0.000 0.298 149 V C -0.225 175.839 176.094 -0.049 0.000 1.028 149 V CA -0.672 61.603 62.300 -0.042 0.000 0.860 149 V CB 1.900 33.700 31.823 -0.038 0.000 0.991 149 V HN 0.702 nan 8.190 nan 0.000 0.427 150 E N 4.463 124.648 120.200 -0.024 0.000 2.133 150 E HA 0.354 4.705 4.350 0.001 0.000 0.274 150 E C -0.281 176.311 176.600 -0.014 0.000 0.930 150 E CA -0.796 55.609 56.400 0.010 0.000 0.770 150 E CB 1.058 30.807 29.700 0.082 0.000 1.104 150 E HN 0.548 nan 8.360 nan 0.000 0.403 151 R N 3.816 124.293 120.500 -0.038 0.000 2.419 151 R HA 0.186 4.526 4.340 0.001 0.000 0.305 151 R C 0.500 176.819 176.300 0.032 0.000 1.242 151 R CA 0.213 56.285 56.100 -0.046 0.000 1.105 151 R CB 0.338 30.598 30.300 -0.067 0.000 1.116 151 R HN 0.684 nan 8.270 nan 0.000 0.523 152 A N 2.551 125.368 122.820 -0.004 0.000 1.930 152 A HA -0.059 4.261 4.320 0.001 0.000 0.217 152 A C 0.671 178.263 177.584 0.014 0.000 1.175 152 A CA 1.516 53.572 52.037 0.032 0.000 0.627 152 A CB 0.068 19.069 19.000 0.001 0.000 0.815 152 A HN 0.721 nan 8.150 nan 0.000 0.443 153 S N -3.198 112.486 115.700 -0.027 0.000 2.703 153 S HA 0.426 4.896 4.470 0.001 0.000 0.273 153 S C 0.523 175.113 174.600 -0.017 0.000 1.178 153 S CA 0.073 58.274 58.200 0.002 0.000 0.838 153 S CB 0.066 63.259 63.200 -0.012 0.000 1.178 153 S HN 0.339 nan 8.310 nan 0.000 0.494 154 I N 1.007 121.591 120.570 0.024 0.000 2.567 154 I HA -0.094 4.076 4.170 0.001 0.000 0.257 154 I C 0.493 176.514 176.117 -0.160 0.000 1.184 154 I CA 1.983 63.304 61.300 0.034 0.000 1.451 154 I CB -0.158 37.960 38.000 0.197 0.000 1.089 154 I HN 0.794 nan 8.210 nan 0.000 0.441 155 D N -1.011 119.264 120.400 -0.209 0.000 2.599 155 D HA 0.204 4.844 4.640 0.001 0.000 0.249 155 D C -0.279 175.838 176.300 -0.306 0.000 1.313 155 D CA -0.240 53.524 54.000 -0.394 0.000 0.815 155 D CB -0.012 40.596 40.800 -0.320 0.000 1.077 155 D HN 0.302 nan 8.370 nan 0.000 0.492 156 E N -0.162 119.863 120.200 -0.292 0.000 2.343 156 E HA 0.571 4.921 4.350 0.001 0.000 0.278 156 E C -1.062 175.238 176.600 -0.501 0.000 0.910 156 E CA -1.257 54.879 56.400 -0.440 0.000 0.757 156 E CB 3.192 32.681 29.700 -0.352 0.000 1.218 156 E HN 0.050 nan 8.360 nan 0.000 0.435 157 V N -1.236 118.216 119.914 -0.770 0.000 3.147 157 V HA 0.688 4.808 4.120 0.001 0.000 0.306 157 V C -1.511 174.132 176.094 -0.753 0.000 1.209 157 V CA -0.879 61.032 62.300 -0.649 0.000 1.023 157 V CB 1.444 32.836 31.823 -0.718 0.000 1.059 157 V HN 0.590 nan 8.190 nan 0.000 0.435 158 F N 1.924 121.692 119.950 -0.303 0.000 2.492 158 F HA 0.851 5.378 4.527 0.001 0.000 0.327 158 F C -0.128 175.546 175.800 -0.211 0.000 1.079 158 F CA -0.755 57.127 58.000 -0.197 0.000 0.967 158 F CB 2.107 41.039 39.000 -0.112 0.000 1.169 158 F HN 0.400 nan 8.300 nan 0.000 0.472 159 L N 1.901 123.147 121.223 0.039 0.000 2.408 159 L HA 0.402 4.742 4.340 0.001 0.000 0.268 159 L C -1.405 175.480 176.870 0.025 0.000 0.986 159 L CA -0.910 53.922 54.840 -0.013 0.000 0.820 159 L CB 2.123 44.145 42.059 -0.061 0.000 1.303 159 L HN 0.447 nan 8.230 nan 0.000 0.411 160 D N 2.901 123.309 120.400 0.013 0.000 2.412 160 D HA 0.248 4.888 4.640 0.001 0.000 0.224 160 D C 0.150 176.459 176.300 0.015 0.000 1.093 160 D CA -0.382 53.628 54.000 0.015 0.000 0.850 160 D CB 1.490 42.297 40.800 0.012 0.000 1.046 160 D HN 0.215 nan 8.370 nan 0.000 0.507 161 L N 3.792 125.024 121.223 0.015 0.000 2.612 161 L HA 0.282 4.622 4.340 0.001 0.000 0.230 161 L C 2.248 179.128 176.870 0.018 0.000 1.140 161 L CA 0.346 55.195 54.840 0.015 0.000 0.896 161 L CB -0.600 41.465 42.059 0.009 0.000 1.065 161 L HN 0.628 nan 8.230 nan 0.000 0.447 162 G N -0.039 108.771 108.800 0.016 0.000 2.553 162 G HA2 -0.349 3.611 3.960 0.001 0.000 0.218 162 G HA3 -0.349 3.611 3.960 0.001 0.000 0.218 162 G C 1.856 176.790 174.900 0.056 0.000 1.195 162 G CA 0.677 45.789 45.100 0.020 0.000 0.779 162 G HN 0.240 nan 8.290 nan 0.000 0.577 163 R N 0.253 120.782 120.500 0.048 0.000 2.073 163 R HA 0.093 4.433 4.340 0.001 0.000 0.234 163 R C 2.675 179.045 176.300 0.116 0.000 1.134 163 R CA 0.935 57.085 56.100 0.084 0.000 0.952 163 R CB -0.787 29.544 30.300 0.052 0.000 0.850 163 R HN 0.518 nan 8.270 nan 0.000 0.433 164 I N -0.513 120.097 120.570 0.067 0.000 2.163 164 I HA -0.383 3.788 4.170 0.001 0.000 0.243 164 I C 2.107 178.243 176.117 0.031 0.000 1.085 164 I CA 1.327 62.655 61.300 0.047 0.000 1.347 164 I CB -0.375 37.638 38.000 0.022 0.000 1.044 164 I HN 0.179 nan 8.210 nan 0.000 0.408 165 C N 0.231 119.544 119.300 0.022 0.000 2.432 165 C HA -0.201 4.259 4.460 0.001 0.000 0.277 165 C C 2.752 177.733 174.990 -0.015 0.000 1.249 165 C CA 0.468 59.475 59.018 -0.018 0.000 1.725 165 C CB -1.102 26.626 27.740 -0.021 0.000 2.028 165 C HN 0.523 nan 8.230 nan 0.000 0.477 166 F N 2.735 122.635 119.950 -0.083 0.000 2.095 166 F HA -0.158 4.369 4.527 0.000 0.000 0.298 166 F C 2.230 177.991 175.800 -0.064 0.000 1.104 166 F CA 1.931 59.863 58.000 -0.113 0.000 1.232 166 F CB -0.509 38.431 39.000 -0.100 0.000 0.987 166 F HN 0.231 nan 8.300 nan 0.000 0.475 167 N N 0.088 118.868 118.700 0.135 0.000 2.244 167 N HA -0.170 4.570 4.740 0.001 0.000 0.183 167 N C 2.011 177.544 175.510 0.040 0.000 1.016 167 N CA 1.454 54.606 53.050 0.170 0.000 0.866 167 N CB -0.411 38.216 38.487 0.233 0.000 0.980 167 N HN 0.405 nan 8.380 nan 0.000 0.430 168 M N 0.142 119.716 119.600 -0.042 0.000 2.077 168 M HA -0.131 4.349 4.480 0.001 0.000 0.261 168 M C 2.054 178.262 176.300 -0.153 0.000 1.070 168 M CA 1.112 56.360 55.300 -0.086 0.000 1.125 168 M CB -0.226 32.286 32.600 -0.148 0.000 1.339 168 M HN 0.051 nan 8.290 nan 0.000 0.409 169 L N 0.318 121.399 121.223 -0.236 0.000 2.013 169 L HA -0.262 4.078 4.340 0.001 0.000 0.212 169 L C 2.217 178.848 176.870 -0.399 0.000 1.073 169 L CA 1.893 56.555 54.840 -0.297 0.000 0.753 169 L CB -0.281 41.552 42.059 -0.378 0.000 0.890 169 L HN 0.311 nan 8.230 nan 0.000 0.432 170 M N -2.673 116.563 119.600 -0.607 0.000 2.466 170 M HA 0.072 4.552 4.480 0.001 0.000 0.265 170 M C 1.519 177.304 176.300 -0.857 0.000 1.122 170 M CA 1.210 56.015 55.300 -0.825 0.000 1.157 170 M CB -0.490 31.340 32.600 -1.285 0.000 1.352 170 M HN 0.200 nan 8.290 nan 0.000 0.464 171 F N -0.855 119.038 119.950 -0.095 0.000 2.767 171 F HA 0.216 4.743 4.527 0.001 0.000 0.323 171 F C 0.677 176.477 175.800 -0.001 0.000 1.091 171 F CA -1.045 56.948 58.000 -0.011 0.000 1.192 171 F CB 0.418 39.434 39.000 0.026 0.000 1.056 171 F HN -0.048 nan 8.300 nan 0.000 0.571 172 D N 1.518 121.984 120.400 0.110 0.000 2.382 172 D HA -0.002 4.638 4.640 0.001 0.000 0.259 172 D C 0.245 176.600 176.300 0.091 0.000 1.224 172 D CA 0.628 54.685 54.000 0.095 0.000 0.894 172 D CB 0.339 41.171 40.800 0.052 0.000 1.127 172 D HN 0.345 nan 8.370 nan 0.000 0.487 173 N N 2.446 121.205 118.700 0.098 0.000 2.205 173 N HA -0.005 4.736 4.740 0.001 0.000 0.201 173 N C 0.500 176.054 175.510 0.074 0.000 1.128 173 N CA -0.134 52.965 53.050 0.081 0.000 0.867 173 N CB 0.773 39.307 38.487 0.078 0.000 0.996 173 N HN 0.321 nan 8.380 nan 0.000 0.503 174 E N -0.153 120.102 120.200 0.091 0.000 2.206 174 E HA 0.061 4.412 4.350 0.001 0.000 0.195 174 E C -0.397 176.253 176.600 0.084 0.000 0.935 174 E CA -0.076 56.369 56.400 0.075 0.000 0.875 174 E CB 0.029 29.771 29.700 0.072 0.000 0.841 174 E HN 0.221 nan 8.360 nan 0.000 0.477 175 Y N 2.691 122.993 120.300 0.004 0.000 2.969 175 Y HA -0.130 4.420 4.550 0.000 0.000 0.339 175 Y C -0.151 175.744 175.900 -0.008 0.000 1.272 175 Y CA 0.615 58.712 58.100 -0.004 0.000 1.577 175 Y CB 0.272 38.726 38.460 -0.010 0.000 1.234 175 Y HN -0.069 nan 8.280 nan 0.000 0.590 176 E N 6.050 125.863 120.200 -0.644 0.000 2.158 176 E HA 0.137 4.487 4.350 0.001 0.000 0.271 176 E C -0.116 176.180 176.600 -0.506 0.000 0.911 176 E CA -0.652 55.495 56.400 -0.422 0.000 0.767 176 E CB 1.501 31.040 29.700 -0.268 0.000 1.120 176 E HN 0.592 nan 8.360 nan 0.000 0.405 177 L N 1.876 122.968 121.223 -0.219 0.000 2.131 177 L HA 0.001 4.341 4.340 0.001 0.000 0.206 177 L C 1.277 178.082 176.870 -0.108 0.000 1.087 177 L CA 1.505 56.275 54.840 -0.116 0.000 0.767 177 L CB -0.424 41.621 42.059 -0.023 0.000 0.917 177 L HN 0.688 nan 8.230 nan 0.000 0.441 178 T N -6.630 107.865 114.554 -0.098 0.000 2.754 178 T HA 0.474 4.825 4.350 0.001 0.000 0.296 178 T C 0.943 175.600 174.700 -0.072 0.000 1.205 178 T CA -0.196 61.861 62.100 -0.073 0.000 1.009 178 T CB 0.863 69.704 68.868 -0.045 0.000 1.368 178 T HN -0.031 nan 8.240 nan 0.000 0.509 179 G N -0.592 108.176 108.800 -0.054 0.000 2.471 179 G HA2 0.033 3.994 3.960 0.001 0.000 0.219 179 G HA3 0.033 3.994 3.960 0.001 0.000 0.219 179 G C 0.566 175.443 174.900 -0.037 0.000 1.125 179 G CA 0.714 45.787 45.100 -0.046 0.000 0.775 179 G HN 0.759 nan 8.290 nan 0.000 0.548 180 D N -1.540 118.840 120.400 -0.033 0.000 2.469 180 D HA 0.248 4.889 4.640 0.001 0.000 0.213 180 D C -0.493 175.793 176.300 -0.023 0.000 1.135 180 D CA -0.334 53.652 54.000 -0.024 0.000 0.834 180 D CB 0.897 41.686 40.800 -0.017 0.000 1.009 180 D HN 0.150 nan 8.370 nan 0.000 0.507 181 L N 0.454 121.658 121.223 -0.031 0.000 2.376 181 L HA 0.619 4.959 4.340 0.001 0.000 0.275 181 L C -0.463 176.388 176.870 -0.032 0.000 0.987 181 L CA -0.655 54.171 54.840 -0.025 0.000 0.828 181 L CB 0.803 42.849 42.059 -0.022 0.000 1.249 181 L HN -0.199 nan 8.230 nan 0.000 0.409 182 K N 3.750 124.142 120.400 -0.014 0.000 2.098 182 K HA 0.446 4.766 4.320 0.001 0.000 0.258 182 K C 0.714 177.331 176.600 0.029 0.000 0.973 182 K CA -0.134 56.151 56.287 -0.004 0.000 0.898 182 K CB 0.849 33.353 32.500 0.007 0.000 1.057 182 K HN 0.869 nan 8.250 nan 0.000 0.447 183 L N 0.838 122.106 121.223 0.075 0.000 2.079 183 L HA -0.245 4.095 4.340 0.001 0.000 0.210 183 L C 2.800 179.705 176.870 0.058 0.000 1.081 183 L CA 2.700 57.606 54.840 0.111 0.000 0.752 183 L CB 0.006 42.193 42.059 0.213 0.000 0.896 183 L HN 1.006 nan 8.230 nan 0.000 0.433 184 K N -1.221 119.208 120.400 0.049 0.000 2.148 184 K HA -0.182 4.139 4.320 0.001 0.000 0.204 184 K C 1.316 177.932 176.600 0.026 0.000 1.050 184 K CA 1.627 57.932 56.287 0.030 0.000 0.942 184 K CB -0.294 32.227 32.500 0.035 0.000 0.724 184 K HN 0.330 nan 8.250 nan 0.000 0.446 185 D N 1.511 121.927 120.400 0.026 0.000 2.137 185 D HA -0.040 4.601 4.640 0.001 0.000 0.202 185 D C 2.114 178.429 176.300 0.026 0.000 0.970 185 D CA 1.360 55.374 54.000 0.023 0.000 0.837 185 D CB -0.134 40.676 40.800 0.017 0.000 0.981 185 D HN 0.391 nan 8.370 nan 0.000 0.475 186 A N 0.972 123.808 122.820 0.026 0.000 1.933 186 A HA -0.090 4.230 4.320 0.001 0.000 0.218 186 A C 2.023 179.634 177.584 0.045 0.000 1.175 186 A CA 0.933 52.985 52.037 0.026 0.000 0.628 186 A CB -0.556 18.455 19.000 0.019 0.000 0.814 186 A HN 0.216 nan 8.150 nan 0.000 0.444 187 L N 0.753 122.007 121.223 0.052 0.000 2.848 187 L HA 0.067 4.407 4.340 0.001 0.000 0.240 187 L C 2.045 178.945 176.870 0.050 0.000 1.232 187 L CA 0.462 55.348 54.840 0.077 0.000 1.031 187 L CB -0.023 42.074 42.059 0.063 0.000 1.338 187 L HN 0.515 nan 8.230 nan 0.000 0.509 188 S N -0.592 115.135 115.700 0.045 0.000 2.383 188 S HA -0.251 4.219 4.470 0.001 0.000 0.229 188 S C 1.684 176.318 174.600 0.057 0.000 1.030 188 S CA 1.807 60.031 58.200 0.040 0.000 1.002 188 S CB -0.344 62.879 63.200 0.038 0.000 0.829 188 S HN 0.567 nan 8.310 nan 0.000 0.467 189 N N 1.698 120.445 118.700 0.079 0.000 2.058 189 N HA -0.031 4.709 4.740 0.001 0.000 0.191 189 N C 1.664 177.245 175.510 0.118 0.000 1.037 189 N CA 1.831 54.943 53.050 0.102 0.000 0.848 189 N CB -0.513 38.047 38.487 0.122 0.000 1.021 189 N HN 0.557 nan 8.380 nan 0.000 0.422 190 I N -0.074 120.556 120.570 0.099 0.000 2.439 190 I HA -0.130 4.040 4.170 0.001 0.000 0.251 190 I C 1.968 178.129 176.117 0.072 0.000 1.139 190 I CA 0.781 62.105 61.300 0.040 0.000 1.438 190 I CB -0.040 37.807 38.000 -0.254 0.000 1.085 190 I HN 0.197 nan 8.210 nan 0.000 0.427 191 R N 0.381 120.886 120.500 0.008 0.000 2.115 191 R HA -0.162 4.178 4.340 0.001 0.000 0.230 191 R C 1.984 178.332 176.300 0.080 0.000 1.111 191 R CA 1.451 57.546 56.100 -0.010 0.000 0.976 191 R CB -0.198 30.049 30.300 -0.087 0.000 0.870 191 R HN 0.454 nan 8.270 nan 0.000 0.445 192 E N 0.238 120.487 120.200 0.082 0.000 2.158 192 E HA -0.069 4.282 4.350 0.001 0.000 0.191 192 E C 1.877 178.541 176.600 0.107 0.000 0.982 192 E CA 0.868 57.315 56.400 0.079 0.000 0.823 192 E CB 0.090 29.829 29.700 0.066 0.000 0.766 192 E HN 0.334 nan 8.360 nan 0.000 0.468 193 A N 0.567 123.491 122.820 0.173 0.000 1.929 193 A HA -0.138 4.183 4.320 0.001 0.000 0.216 193 A C 1.882 179.568 177.584 0.170 0.000 1.176 193 A CA 0.699 52.856 52.037 0.200 0.000 0.628 193 A CB -0.498 18.716 19.000 0.355 0.000 0.816 193 A HN 0.325 nan 8.150 nan 0.000 0.444 194 F N 1.083 121.090 119.950 0.095 0.000 2.075 194 F HA -0.137 4.391 4.527 0.000 0.000 0.297 194 F C 1.937 177.803 175.800 0.109 0.000 1.113 194 F CA 1.326 59.374 58.000 0.081 0.000 1.218 194 F CB -0.252 38.813 39.000 0.108 0.000 0.984 194 F HN 0.131 nan 8.300 nan 0.000 0.472 195 I N 0.844 121.355 120.570 -0.097 0.000 2.361 195 I HA -0.178 3.992 4.170 0.001 0.000 0.251 195 I C 2.782 178.816 176.117 -0.139 0.000 1.133 195 I CA 1.380 62.566 61.300 -0.190 0.000 1.413 195 I CB -2.316 35.665 38.000 -0.032 0.000 1.073 195 I HN 0.314 nan 8.210 nan 0.000 0.424 196 G N 0.624 109.389 108.800 -0.059 0.000 2.440 196 G HA2 -0.160 3.800 3.960 0.001 0.000 0.218 196 G HA3 -0.160 3.800 3.960 0.001 0.000 0.218 196 G C 1.523 176.335 174.900 -0.147 0.000 1.154 196 G CA 1.151 46.214 45.100 -0.063 0.000 0.767 196 G HN 0.559 nan 8.290 nan 0.000 0.552 197 G N -0.183 108.494 108.800 -0.205 0.000 2.166 197 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 197 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 197 G C 0.710 175.234 174.900 -0.627 0.000 0.986 197 G CA 0.512 45.308 45.100 -0.508 0.000 0.683 197 G HN 0.524 nan 8.290 nan 0.000 0.527 198 N N 0.143 118.624 118.700 -0.365 0.000 2.466 198 N HA 0.303 5.043 4.740 0.001 0.000 0.251 198 N C -0.063 175.305 175.510 -0.235 0.000 1.164 198 N CA 0.486 53.377 53.050 -0.265 0.000 0.888 198 N CB -0.126 38.294 38.487 -0.111 0.000 1.177 198 N HN 0.767 nan 8.380 nan 0.000 0.498 199 Y N -1.990 118.131 120.300 -0.298 0.000 2.536 199 Y HA 0.596 5.146 4.550 0.000 0.000 0.347 199 Y C -0.357 175.411 175.900 -0.221 0.000 1.000 199 Y CA -1.879 56.031 58.100 -0.318 0.000 1.051 199 Y CB 0.684 38.683 38.460 -0.769 0.000 1.259 199 Y HN -0.209 nan 8.280 nan 0.000 0.468 200 D N 2.073 122.525 120.400 0.088 0.000 2.255 200 D HA 0.221 4.861 4.640 0.001 0.000 0.249 200 D C 1.256 177.711 176.300 0.259 0.000 1.078 200 D CA -0.480 53.576 54.000 0.094 0.000 0.896 200 D CB 1.058 41.917 40.800 0.100 0.000 1.194 200 D HN 0.722 nan 8.370 nan 0.000 0.429 201 I N 0.610 121.313 120.570 0.221 0.000 2.454 201 I HA -0.144 4.026 4.170 0.001 0.000 0.254 201 I C 0.833 177.098 176.117 0.246 0.000 1.156 201 I CA 1.185 62.662 61.300 0.295 0.000 1.433 201 I CB -0.336 37.782 38.000 0.196 0.000 1.082 201 I HN 0.306 nan 8.210 nan 0.000 0.432 202 N N 0.651 119.458 118.700 0.178 0.000 2.398 202 N HA 0.105 4.846 4.740 0.001 0.000 0.188 202 N C 0.077 175.684 175.510 0.162 0.000 1.122 202 N CA -0.271 52.857 53.050 0.130 0.000 0.866 202 N CB 0.309 38.853 38.487 0.096 0.000 0.970 202 N HN 0.282 nan 8.380 nan 0.000 0.462 203 S N 0.190 116.052 115.700 0.270 0.000 2.592 203 S HA 0.134 4.604 4.470 0.001 0.000 0.271 203 S C -0.210 174.589 174.600 0.332 0.000 1.326 203 S CA -0.404 58.006 58.200 0.349 0.000 1.024 203 S CB 0.540 63.978 63.200 0.397 0.000 0.921 203 S HN 0.227 nan 8.310 nan 0.000 0.527 204 H N 0.785 119.967 119.070 0.187 0.000 2.615 204 H HA 0.346 4.902 4.556 0.001 0.000 0.363 204 H C 0.167 175.509 175.328 0.023 0.000 1.148 204 H CA -0.269 55.831 56.048 0.087 0.000 1.401 204 H CB 0.254 30.056 29.762 0.067 0.000 1.461 204 H HN 0.376 nan 8.280 nan 0.000 0.588 205 L N 4.351 125.503 121.223 -0.119 0.000 2.464 205 L HA 0.212 4.553 4.340 0.001 0.000 0.264 205 L C -1.753 175.139 176.870 0.036 0.000 1.199 205 L CA -1.844 52.753 54.840 -0.404 0.000 0.818 205 L CB 0.289 41.946 42.059 -0.670 0.000 1.102 205 L HN 0.495 nan 8.230 nan 0.000 0.473 206 P HA 0.097 nan 4.420 nan 0.000 0.274 206 P C -0.611 176.890 177.300 0.335 0.000 1.256 206 P CA -0.472 62.755 63.100 0.212 0.000 0.795 206 P CB 0.704 32.531 31.700 0.211 0.000 1.038 207 L N 0.826 122.179 121.223 0.218 0.000 2.461 207 L HA 0.118 4.458 4.340 0.001 0.000 0.272 207 L C 1.243 178.159 176.870 0.076 0.000 1.197 207 L CA -0.535 54.383 54.840 0.130 0.000 0.836 207 L CB -0.269 41.817 42.059 0.044 0.000 1.105 207 L HN 0.336 nan 8.230 nan 0.000 0.477 208 I N 1.239 121.640 120.570 -0.281 0.000 2.752 208 I HA 0.176 4.347 4.170 0.001 0.000 0.287 208 I C -1.974 173.998 176.117 -0.242 0.000 1.188 208 I CA -1.501 59.426 61.300 -0.622 0.000 1.427 208 I CB -0.208 37.229 38.000 -0.939 0.000 1.365 208 I HN 0.382 nan 8.210 nan 0.000 0.585 209 P HA 0.126 nan 4.420 nan 0.000 0.275 209 P C 0.050 177.294 177.300 -0.093 0.000 1.228 209 P CA -0.224 62.842 63.100 -0.057 0.000 0.786 209 P CB 1.069 32.772 31.700 0.006 0.000 0.927 210 E N 2.064 122.228 120.200 -0.059 0.000 2.171 210 E HA -0.190 4.160 4.350 0.001 0.000 0.197 210 E C 1.498 178.064 176.600 -0.056 0.000 0.997 210 E CA 1.504 57.869 56.400 -0.058 0.000 0.810 210 E CB -0.161 29.518 29.700 -0.035 0.000 0.738 210 E HN 0.559 nan 8.360 nan 0.000 0.467 211 K N 0.267 120.642 120.400 -0.042 0.000 2.211 211 K HA -0.104 4.217 4.320 0.001 0.000 0.203 211 K C 2.002 178.575 176.600 -0.046 0.000 1.050 211 K CA 0.439 56.706 56.287 -0.033 0.000 0.945 211 K CB -0.133 32.358 32.500 -0.015 0.000 0.732 211 K HN 0.019 nan 8.250 nan 0.000 0.451 212 I N 1.965 122.490 120.570 -0.075 0.000 2.916 212 I HA -0.182 3.988 4.170 0.001 0.000 0.267 212 I C 1.163 177.217 176.117 -0.106 0.000 1.263 212 I CA 1.329 62.572 61.300 -0.095 0.000 1.471 212 I CB -0.085 37.817 38.000 -0.164 0.000 1.089 212 I HN -0.017 nan 8.210 nan 0.000 0.468 213 K N -0.467 119.876 120.400 -0.094 0.000 2.442 213 K HA -0.006 4.315 4.320 0.001 0.000 0.198 213 K C 1.897 178.469 176.600 -0.047 0.000 1.042 213 K CA 0.921 57.164 56.287 -0.073 0.000 0.958 213 K CB -0.105 32.360 32.500 -0.058 0.000 0.766 213 K HN 0.225 nan 8.250 nan 0.000 0.474 214 S N 0.934 116.610 115.700 -0.041 0.000 2.561 214 S HA -0.000 4.470 4.470 0.001 0.000 0.225 214 S C 0.372 174.958 174.600 -0.024 0.000 0.977 214 S CA -0.138 58.047 58.200 -0.026 0.000 0.926 214 S CB -0.062 63.125 63.200 -0.022 0.000 0.769 214 S HN 0.182 nan 8.310 nan 0.000 0.533 215 L N 3.128 124.325 121.223 -0.044 0.000 2.455 215 L HA 0.216 4.556 4.340 0.001 0.000 0.272 215 L C -0.135 176.685 176.870 -0.085 0.000 1.174 215 L CA 0.305 55.117 54.840 -0.047 0.000 0.869 215 L CB 0.188 42.185 42.059 -0.103 0.000 1.130 215 L HN -0.079 nan 8.230 nan 0.000 0.474 216 K N 4.901 125.281 120.400 -0.034 0.000 2.110 216 K HA 0.361 4.681 4.320 0.001 0.000 0.263 216 K C -0.959 175.608 176.600 -0.056 0.000 0.975 216 K CA -0.410 55.873 56.287 -0.006 0.000 0.895 216 K CB 1.047 33.577 32.500 0.050 0.000 1.060 216 K HN 0.395 nan 8.250 nan 0.000 0.448 217 F N 1.436 121.401 119.950 0.025 0.000 2.404 217 F HA 0.106 4.634 4.527 0.000 0.000 0.345 217 F C 0.661 176.477 175.800 0.027 0.000 1.110 217 F CA -0.419 57.592 58.000 0.018 0.000 1.130 217 F CB 1.302 40.307 39.000 0.008 0.000 1.129 217 F HN 0.446 nan 8.300 nan 0.000 0.500 218 E N 2.747 123.079 120.200 0.220 0.000 2.109 218 E HA 0.596 4.946 4.350 0.001 0.000 0.278 218 E C 0.053 176.734 176.600 0.135 0.000 0.954 218 E CA -0.014 56.472 56.400 0.143 0.000 0.779 218 E CB 0.769 30.530 29.700 0.103 0.000 1.093 218 E HN 0.817 nan 8.360 nan 0.000 0.401 219 G N 3.852 112.715 108.800 0.106 0.000 2.373 219 G HA2 -0.093 3.867 3.960 0.001 0.000 0.634 219 G HA3 -0.093 3.867 3.960 0.001 0.000 0.634 219 G C -1.415 173.524 174.900 0.064 0.000 1.267 219 G CA -0.587 44.561 45.100 0.080 0.000 1.008 219 G HN 0.528 nan 8.290 nan 0.000 0.497 220 D N 0.498 120.932 120.400 0.056 0.000 2.280 220 D HA 0.419 5.060 4.640 0.001 0.000 0.243 220 D C 0.336 176.632 176.300 -0.007 0.000 1.129 220 D CA -0.077 53.950 54.000 0.045 0.000 0.848 220 D CB 1.814 42.676 40.800 0.104 0.000 1.107 220 D HN 0.372 nan 8.370 nan 0.000 0.471 221 V N 4.101 123.966 119.914 -0.081 0.000 2.322 221 V HA 0.042 4.162 4.120 0.001 0.000 0.258 221 V C 0.389 176.423 176.094 -0.100 0.000 1.074 221 V CA -0.783 61.399 62.300 -0.197 0.000 0.909 221 V CB -0.420 31.175 31.823 -0.380 0.000 1.090 221 V HN 0.378 nan 8.190 nan 0.000 0.486 222 F N 5.580 125.422 119.950 -0.181 0.000 2.506 222 F HA 0.132 4.659 4.527 0.000 0.000 0.387 222 F C 0.860 176.601 175.800 -0.098 0.000 1.053 222 F CA 0.710 58.635 58.000 -0.125 0.000 1.083 222 F CB 0.028 38.916 39.000 -0.187 0.000 1.010 222 F HN 0.578 nan 8.300 nan 0.000 0.551 223 N N 7.696 126.145 118.700 -0.418 0.000 2.639 223 N HA 0.201 4.941 4.740 0.001 0.000 0.265 223 N C -1.907 173.427 175.510 -0.293 0.000 1.689 223 N CA -1.186 51.706 53.050 -0.264 0.000 0.813 223 N CB 0.407 38.797 38.487 -0.161 0.000 1.353 223 N HN 0.246 nan 8.380 nan 0.000 0.510 224 P HA -0.085 nan 4.420 nan 0.000 0.221 224 P C 0.280 177.500 177.300 -0.135 0.000 1.145 224 P CA 1.125 64.058 63.100 -0.279 0.000 0.795 224 P CB 0.567 32.088 31.700 -0.298 0.000 0.775 225 E N -0.795 119.347 120.200 -0.097 0.000 2.479 225 E HA 0.164 4.514 4.350 0.001 0.000 0.193 225 E C 1.307 177.879 176.600 -0.047 0.000 1.049 225 E CA 0.345 56.715 56.400 -0.050 0.000 0.870 225 E CB -0.614 29.075 29.700 -0.019 0.000 0.944 225 E HN 0.296 nan 8.360 nan 0.000 0.492 226 G N 2.774 111.535 108.800 -0.065 0.000 2.323 226 G HA2 -0.363 3.597 3.960 0.001 0.000 0.292 226 G HA3 -0.363 3.597 3.960 0.001 0.000 0.292 226 G C 0.110 174.990 174.900 -0.035 0.000 1.040 226 G CA 0.434 45.504 45.100 -0.051 0.000 0.942 226 G HN 0.202 nan 8.290 nan 0.000 0.506 227 R N -0.035 120.445 120.500 -0.033 0.000 2.679 227 R HA 0.326 4.666 4.340 0.001 0.000 0.269 227 R C 0.114 176.405 176.300 -0.014 0.000 1.076 227 R CA -0.685 55.404 56.100 -0.017 0.000 1.160 227 R CB 0.507 30.802 30.300 -0.008 0.000 1.054 227 R HN 0.225 nan 8.270 nan 0.000 0.507 228 D N 1.371 121.770 120.400 -0.002 0.000 2.423 228 D HA -0.043 4.598 4.640 0.001 0.000 0.238 228 D C 1.375 177.692 176.300 0.027 0.000 1.142 228 D CA 0.206 54.211 54.000 0.009 0.000 0.884 228 D CB 0.730 41.533 40.800 0.006 0.000 1.199 228 D HN 0.369 nan 8.370 nan 0.000 0.438 229 L N 0.960 122.219 121.223 0.060 0.000 2.007 229 L HA -0.007 4.334 4.340 0.001 0.000 0.205 229 L C 0.949 177.965 176.870 0.242 0.000 1.073 229 L CA 0.765 55.696 54.840 0.151 0.000 0.744 229 L CB -0.107 42.092 42.059 0.232 0.000 0.898 229 L HN 0.297 nan 8.230 nan 0.000 0.435 230 I N 0.786 121.437 120.570 0.134 0.000 2.359 230 I HA 0.118 4.289 4.170 0.001 0.000 0.284 230 I C 0.837 176.939 176.117 -0.024 0.000 1.018 230 I CA 0.236 61.563 61.300 0.046 0.000 1.173 230 I CB 0.819 38.789 38.000 -0.050 0.000 1.326 230 I HN 0.210 nan 8.210 nan 0.000 0.462 231 T N 0.113 114.654 114.554 -0.021 0.000 2.954 231 T HA 0.248 4.599 4.350 0.001 0.000 0.252 231 T C 0.437 175.085 174.700 -0.087 0.000 0.983 231 T CA 0.057 62.129 62.100 -0.047 0.000 0.941 231 T CB 1.002 69.867 68.868 -0.005 0.000 1.141 231 T HN 0.400 nan 8.240 nan 0.000 0.500 232 D N -1.505 118.848 120.400 -0.077 0.000 2.752 232 D HA 0.346 4.986 4.640 0.001 0.000 0.313 232 D C -0.633 175.570 176.300 -0.161 0.000 1.225 232 D CA -0.899 53.053 54.000 -0.081 0.000 0.976 232 D CB 0.794 41.728 40.800 0.222 0.000 1.443 232 D HN 0.068 nan 8.370 nan 0.000 0.515 233 W N 0.611 121.955 121.300 0.073 0.000 2.421 233 W HA -0.090 4.570 4.660 0.000 0.000 0.270 233 W C 1.888 178.261 176.519 -0.244 0.000 1.233 233 W CA 0.891 58.163 57.345 -0.121 0.000 1.226 233 W CB 0.053 29.399 29.460 -0.189 0.000 1.121 233 W HN 0.423 nan 8.180 nan 0.000 0.579 234 D N -0.455 119.872 120.400 -0.122 0.000 2.178 234 D HA -0.187 4.453 4.640 0.001 0.000 0.202 234 D C 1.235 177.526 176.300 -0.015 0.000 0.974 234 D CA 1.463 55.345 54.000 -0.198 0.000 0.841 234 D CB -0.914 39.758 40.800 -0.214 0.000 0.953 234 D HN 0.106 nan 8.370 nan 0.000 0.478 235 D N 0.466 120.893 120.400 0.045 0.000 2.183 235 D HA -0.065 4.576 4.640 0.001 0.000 0.203 235 D C 2.332 178.609 176.300 -0.038 0.000 0.969 235 D CA 0.481 54.554 54.000 0.123 0.000 0.842 235 D CB 0.093 40.985 40.800 0.154 0.000 0.957 235 D HN 0.163 nan 8.370 nan 0.000 0.484 236 V N 1.709 121.565 119.914 -0.096 0.000 2.307 236 V HA -0.196 3.925 4.120 0.001 0.000 0.245 236 V C 2.514 178.538 176.094 -0.117 0.000 1.045 236 V CA 0.910 63.125 62.300 -0.141 0.000 1.024 236 V CB -0.181 31.606 31.823 -0.059 0.000 0.651 236 V HN 0.156 nan 8.190 nan 0.000 0.449 237 I N -0.362 120.175 120.570 -0.055 0.000 2.142 237 I HA -0.226 3.944 4.170 0.001 0.000 0.240 237 I C 2.450 178.529 176.117 -0.064 0.000 1.078 237 I CA 1.700 62.961 61.300 -0.066 0.000 1.343 237 I CB -1.106 36.853 38.000 -0.068 0.000 1.046 237 I HN 0.319 nan 8.210 nan 0.000 0.405 238 L N 1.332 122.545 121.223 -0.017 0.000 2.042 238 L HA -0.161 4.180 4.340 0.001 0.000 0.210 238 L C 2.588 179.483 176.870 0.043 0.000 1.076 238 L CA 2.184 57.069 54.840 0.075 0.000 0.749 238 L CB -0.792 41.397 42.059 0.216 0.000 0.893 238 L HN 0.211 nan 8.230 nan 0.000 0.432 239 A N -0.786 121.879 122.820 -0.258 0.000 1.898 239 A HA -0.151 4.169 4.320 0.001 0.000 0.216 239 A C 2.238 179.661 177.584 -0.268 0.000 1.181 239 A CA 1.823 53.495 52.037 -0.608 0.000 0.620 239 A CB -0.824 17.496 19.000 -1.134 0.000 0.819 239 A HN 0.482 nan 8.150 nan 0.000 0.442 240 L N -0.667 120.416 121.223 -0.234 0.000 2.046 240 L HA -0.144 4.196 4.340 0.001 0.000 0.208 240 L C 2.824 179.612 176.870 -0.137 0.000 1.077 240 L CA 1.147 55.854 54.840 -0.222 0.000 0.747 240 L CB -0.947 40.983 42.059 -0.215 0.000 0.896 240 L HN 0.494 nan 8.230 nan 0.000 0.432 241 G N -0.119 108.634 108.800 -0.078 0.000 2.432 241 G HA2 -0.290 3.670 3.960 0.001 0.000 0.219 241 G HA3 -0.290 3.670 3.960 0.001 0.000 0.219 241 G C 1.808 176.709 174.900 0.003 0.000 1.135 241 G CA 1.058 46.141 45.100 -0.027 0.000 0.767 241 G HN 0.519 nan 8.290 nan 0.000 0.550 242 S N -0.181 115.536 115.700 0.028 0.000 2.402 242 S HA -0.081 4.389 4.470 0.001 0.000 0.229 242 S C 2.174 176.800 174.600 0.044 0.000 1.021 242 S CA 1.311 59.553 58.200 0.070 0.000 0.974 242 S CB -0.208 63.090 63.200 0.163 0.000 0.800 242 S HN 0.306 nan 8.310 nan 0.000 0.484 243 Q N 1.130 120.933 119.800 0.005 0.000 2.079 243 Q HA 0.054 4.394 4.340 0.001 0.000 0.200 243 Q C 2.572 178.579 176.000 0.011 0.000 0.974 243 Q CA 1.309 57.120 55.803 0.014 0.000 0.840 243 Q CB -1.026 27.691 28.738 -0.035 0.000 0.898 243 Q HN 0.541 nan 8.270 nan 0.000 0.430 244 V N 0.333 120.236 119.914 -0.017 0.000 2.343 244 V HA -0.291 3.830 4.120 0.001 0.000 0.247 244 V C 2.538 178.650 176.094 0.030 0.000 1.051 244 V CA 1.514 63.813 62.300 -0.001 0.000 1.036 244 V CB -0.678 31.136 31.823 -0.014 0.000 0.654 244 V HN 0.361 nan 8.190 nan 0.000 0.451 245 C N -0.295 119.026 119.300 0.034 0.000 2.413 245 C HA -0.171 4.290 4.460 0.001 0.000 0.276 245 C C 2.864 177.890 174.990 0.061 0.000 1.236 245 C CA 1.554 60.603 59.018 0.051 0.000 1.735 245 C CB -0.777 26.989 27.740 0.045 0.000 2.031 245 C HN 0.549 nan 8.230 nan 0.000 0.474 246 K N 1.163 121.596 120.400 0.055 0.000 2.032 246 K HA -0.072 4.248 4.320 0.001 0.000 0.209 246 K C 1.986 178.616 176.600 0.050 0.000 1.048 246 K CA 2.072 58.392 56.287 0.055 0.000 0.927 246 K CB -1.037 31.497 32.500 0.057 0.000 0.712 246 K HN 0.451 nan 8.250 nan 0.000 0.441 247 G N 0.677 109.506 108.800 0.048 0.000 2.440 247 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 247 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 247 G C 1.637 176.559 174.900 0.037 0.000 1.154 247 G CA 1.128 46.253 45.100 0.041 0.000 0.767 247 G HN 0.348 nan 8.290 nan 0.000 0.552 248 I N 0.112 120.714 120.570 0.055 0.000 2.226 248 I HA -0.148 4.022 4.170 0.001 0.000 0.245 248 I C 3.034 179.184 176.117 0.054 0.000 1.100 248 I CA 0.996 62.337 61.300 0.068 0.000 1.374 248 I CB -0.202 37.884 38.000 0.143 0.000 1.057 248 I HN 0.105 nan 8.210 nan 0.000 0.413 249 R N 0.452 120.999 120.500 0.079 0.000 2.115 249 R HA -0.132 4.208 4.340 0.001 0.000 0.230 249 R C 1.780 178.097 176.300 0.029 0.000 1.111 249 R CA 1.209 57.352 56.100 0.071 0.000 0.976 249 R CB -0.286 30.063 30.300 0.081 0.000 0.870 249 R HN 0.301 nan 8.270 nan 0.000 0.445 250 D N 0.043 120.458 120.400 0.024 0.000 2.178 250 D HA -0.069 4.572 4.640 0.001 0.000 0.202 250 D C 1.745 178.038 176.300 -0.012 0.000 0.974 250 D CA 1.165 55.172 54.000 0.011 0.000 0.841 250 D CB -0.007 40.803 40.800 0.017 0.000 0.953 250 D HN 0.026 nan 8.370 nan 0.000 0.478 251 S N 0.028 115.713 115.700 -0.024 0.000 2.387 251 S HA -0.064 4.407 4.470 0.001 0.000 0.226 251 S C 1.997 176.544 174.600 -0.088 0.000 1.026 251 S CA 0.293 58.461 58.200 -0.053 0.000 0.972 251 S CB 0.046 63.210 63.200 -0.059 0.000 0.814 251 S HN 0.163 nan 8.310 nan 0.000 0.477 252 I N 1.579 122.083 120.570 -0.110 0.000 2.315 252 I HA -0.123 4.047 4.170 0.001 0.000 0.248 252 I C 2.295 178.373 176.117 -0.064 0.000 1.117 252 I CA 1.172 62.396 61.300 -0.127 0.000 1.404 252 I CB -0.195 37.717 38.000 -0.148 0.000 1.071 252 I HN 0.091 nan 8.210 nan 0.000 0.419 253 K N 0.808 121.190 120.400 -0.029 0.000 2.025 253 K HA -0.154 4.166 4.320 0.001 0.000 0.207 253 K C 1.667 178.234 176.600 -0.055 0.000 1.049 253 K CA 1.701 57.976 56.287 -0.020 0.000 0.933 253 K CB -0.288 32.216 32.500 0.007 0.000 0.714 253 K HN 0.216 nan 8.250 nan 0.000 0.438 254 D N -0.089 120.281 120.400 -0.049 0.000 2.183 254 D HA -0.062 4.578 4.640 0.001 0.000 0.203 254 D C 1.888 178.145 176.300 -0.072 0.000 0.969 254 D CA 1.090 55.059 54.000 -0.051 0.000 0.842 254 D CB 0.125 40.904 40.800 -0.034 0.000 0.957 254 D HN 0.307 nan 8.370 nan 0.000 0.484 255 I N -0.108 120.409 120.570 -0.089 0.000 2.494 255 I HA -0.072 4.098 4.170 0.001 0.000 0.250 255 I C 1.989 178.018 176.117 -0.146 0.000 1.112 255 I CA 0.618 61.859 61.300 -0.098 0.000 1.438 255 I CB 0.219 38.165 38.000 -0.089 0.000 1.111 255 I HN -0.100 nan 8.210 nan 0.000 0.431 256 L N -0.475 120.619 121.223 -0.216 0.000 2.575 256 L HA 0.387 4.727 4.340 0.001 0.000 0.228 256 L C 1.523 178.033 176.870 -0.601 0.000 1.075 256 L CA 0.603 55.190 54.840 -0.422 0.000 0.867 256 L CB 0.156 41.925 42.059 -0.485 0.000 1.097 256 L HN 0.398 nan 8.230 nan 0.000 0.485 257 G N -0.162 108.434 108.800 -0.340 0.000 2.157 257 G HA2 -0.299 3.661 3.960 0.001 0.000 0.248 257 G HA3 -0.299 3.661 3.960 0.001 0.000 0.248 257 G C -0.000 174.848 174.900 -0.086 0.000 0.979 257 G CA -0.277 44.696 45.100 -0.212 0.000 0.650 257 G HN 0.342 nan 8.290 nan 0.000 0.529 258 Y N 1.823 122.158 120.300 0.058 0.000 2.313 258 Y HA 0.483 5.034 4.550 0.000 0.000 0.332 258 Y C 1.460 177.402 175.900 0.069 0.000 1.071 258 Y CA -0.330 57.828 58.100 0.097 0.000 1.169 258 Y CB 1.154 39.715 38.460 0.168 0.000 1.192 258 Y HN 0.241 nan 8.280 nan 0.000 0.487 259 T N -0.459 114.242 114.554 0.244 0.000 2.899 259 T HA 0.630 4.980 4.350 0.001 0.000 0.284 259 T C 0.018 174.788 174.700 0.117 0.000 1.004 259 T CA -0.635 61.545 62.100 0.133 0.000 1.043 259 T CB 1.578 70.497 68.868 0.084 0.000 1.013 259 T HN 0.721 nan 8.240 nan 0.000 0.518 260 T N -1.701 112.895 114.554 0.070 0.000 2.864 260 T HA 0.702 5.053 4.350 0.001 0.000 0.299 260 T C -0.571 174.137 174.700 0.012 0.000 1.166 260 T CA -0.851 61.277 62.100 0.048 0.000 1.007 260 T CB 1.486 70.403 68.868 0.081 0.000 1.219 260 T HN 1.111 nan 8.240 nan 0.000 0.506 261 S N -0.278 115.418 115.700 -0.006 0.000 2.536 261 S HA 0.788 5.258 4.470 0.001 0.000 0.298 261 S C -0.517 174.085 174.600 0.004 0.000 1.083 261 S CA -0.896 57.303 58.200 -0.003 0.000 0.995 261 S CB 1.242 64.433 63.200 -0.014 0.000 1.058 261 S HN 1.282 nan 8.310 nan 0.000 0.488 262 C N 1.789 121.103 119.300 0.024 0.000 2.898 262 C HA 0.951 5.411 4.460 0.001 0.000 0.304 262 C C 0.190 175.203 174.990 0.038 0.000 1.237 262 C CA 0.179 59.206 59.018 0.016 0.000 1.529 262 C CB 0.788 28.537 27.740 0.015 0.000 2.021 262 C HN 1.310 nan 8.230 nan 0.000 0.474 263 G N 3.537 112.357 108.800 0.035 0.000 2.643 263 G HA2 0.669 4.629 3.960 0.001 0.000 0.305 263 G HA3 0.669 4.629 3.960 0.001 0.000 0.305 263 G C -2.006 172.893 174.900 -0.000 0.000 1.387 263 G CA -0.307 44.801 45.100 0.013 0.000 0.982 263 G HN 0.869 nan 8.290 nan 0.000 0.501 264 L N 2.288 123.488 121.223 -0.039 0.000 2.409 264 L HA 0.844 5.184 4.340 0.001 0.000 0.272 264 L C 0.127 176.960 176.870 -0.063 0.000 0.980 264 L CA -0.200 54.627 54.840 -0.021 0.000 0.826 264 L CB 1.865 43.932 42.059 0.013 0.000 1.268 264 L HN 0.971 nan 8.230 nan 0.000 0.407 265 S N 1.115 116.790 115.700 -0.041 0.000 2.755 265 S HA 0.359 4.830 4.470 0.001 0.000 0.286 265 S C 0.280 174.867 174.600 -0.022 0.000 1.207 265 S CA 0.123 58.290 58.200 -0.056 0.000 0.892 265 S CB 0.644 63.777 63.200 -0.111 0.000 1.240 265 S HN 0.773 nan 8.310 nan 0.000 0.525 266 S N 0.088 115.775 115.700 -0.021 0.000 2.575 266 S HA 0.376 4.846 4.470 0.001 0.000 0.215 266 S C 0.689 175.282 174.600 -0.012 0.000 0.966 266 S CA 0.627 58.819 58.200 -0.013 0.000 0.911 266 S CB -0.927 62.270 63.200 -0.005 0.000 0.780 266 S HN 1.581 nan 8.310 nan 0.000 0.514 267 T N -2.116 112.427 114.554 -0.018 0.000 2.883 267 T HA 0.502 4.853 4.350 0.001 0.000 0.301 267 T C 0.207 174.883 174.700 -0.040 0.000 1.158 267 T CA -0.989 61.090 62.100 -0.035 0.000 1.007 267 T CB 1.763 70.608 68.868 -0.038 0.000 1.186 267 T HN -0.090 nan 8.240 nan 0.000 0.499 268 K N 0.533 120.862 120.400 -0.118 0.000 2.032 268 K HA -0.122 4.199 4.320 0.001 0.000 0.209 268 K C 2.197 178.791 176.600 -0.010 0.000 1.048 268 K CA 1.525 57.709 56.287 -0.173 0.000 0.927 268 K CB -0.233 31.906 32.500 -0.603 0.000 0.712 268 K HN 0.483 nan 8.250 nan 0.000 0.441 269 N N 0.619 119.300 118.700 -0.031 0.000 2.069 269 N HA -0.159 4.581 4.740 0.001 0.000 0.191 269 N C 1.892 177.442 175.510 0.068 0.000 1.031 269 N CA 1.369 54.450 53.050 0.052 0.000 0.852 269 N CB -0.200 38.300 38.487 0.022 0.000 1.018 269 N HN -0.035 nan 8.380 nan 0.000 0.423 270 V N 1.733 121.667 119.914 0.033 0.000 2.358 270 V HA -0.230 3.890 4.120 0.001 0.000 0.246 270 V C 2.781 178.851 176.094 -0.041 0.000 1.047 270 V CA 1.664 63.977 62.300 0.022 0.000 1.035 270 V CB -0.815 30.996 31.823 -0.020 0.000 0.658 270 V HN 0.578 nan 8.190 nan 0.000 0.452 271 C N -0.047 119.241 119.300 -0.019 0.000 2.432 271 C HA -0.067 4.394 4.460 0.001 0.000 0.280 271 C C 2.597 177.571 174.990 -0.027 0.000 1.353 271 C CA 0.771 59.781 59.018 -0.015 0.000 1.766 271 C CB -1.112 26.664 27.740 0.060 0.000 1.924 271 C HN 0.606 nan 8.230 nan 0.000 0.509 272 K N 0.935 121.282 120.400 -0.089 0.000 2.062 272 K HA 0.023 4.343 4.320 0.001 0.000 0.205 272 K C 2.139 178.639 176.600 -0.167 0.000 1.051 272 K CA 1.232 57.267 56.287 -0.421 0.000 0.941 272 K CB -0.252 32.001 32.500 -0.412 0.000 0.719 272 K HN 0.603 nan 8.250 nan 0.000 0.440 273 L N 0.558 121.753 121.223 -0.047 0.000 2.046 273 L HA -0.130 4.211 4.340 0.001 0.000 0.208 273 L C 2.642 179.664 176.870 0.252 0.000 1.077 273 L CA 1.230 56.080 54.840 0.017 0.000 0.747 273 L CB -0.594 41.306 42.059 -0.266 0.000 0.896 273 L HN 0.298 nan 8.230 nan 0.000 0.432 274 A N -0.996 121.920 122.820 0.159 0.000 1.972 274 A HA -0.218 4.102 4.320 0.001 0.000 0.219 274 A C 2.535 180.218 177.584 0.164 0.000 1.169 274 A CA 1.936 54.025 52.037 0.086 0.000 0.635 274 A CB -0.564 18.263 19.000 -0.288 0.000 0.810 274 A HN 0.363 nan 8.150 nan 0.000 0.446 275 S N 0.299 116.068 115.700 0.114 0.000 2.383 275 S HA -0.117 4.354 4.470 0.001 0.000 0.227 275 S C 1.440 176.131 174.600 0.152 0.000 1.026 275 S CA 1.358 59.639 58.200 0.135 0.000 0.981 275 S CB -0.445 62.889 63.200 0.224 0.000 0.818 275 S HN 0.696 nan 8.310 nan 0.000 0.472 276 N N -0.082 118.722 118.700 0.174 0.000 2.270 276 N HA 0.056 4.796 4.740 0.001 0.000 0.198 276 N C 0.747 176.392 175.510 0.226 0.000 1.117 276 N CA 0.061 53.211 53.050 0.167 0.000 0.845 276 N CB -0.046 38.526 38.487 0.142 0.000 0.980 276 N HN 0.506 nan 8.380 nan 0.000 0.486 277 Y N 1.659 122.068 120.300 0.181 0.000 2.200 277 Y HA 0.012 4.562 4.550 0.001 0.000 0.290 277 Y C 0.844 176.825 175.900 0.136 0.000 1.137 277 Y CA 1.293 59.519 58.100 0.210 0.000 1.163 277 Y CB 0.346 38.993 38.460 0.311 0.000 0.988 277 Y HN -0.215 nan 8.280 nan 0.000 0.518 278 K N 0.716 121.174 120.400 0.096 0.000 2.687 278 K HA 0.135 4.456 4.320 0.001 0.000 0.197 278 K C 0.567 177.163 176.600 -0.008 0.000 1.049 278 K CA -0.374 55.906 56.287 -0.012 0.000 1.030 278 K CB 0.571 33.115 32.500 0.073 0.000 1.261 278 K HN -0.153 nan 8.250 nan 0.000 0.565 279 K N 1.131 121.512 120.400 -0.032 0.000 2.360 279 K HA -0.063 4.258 4.320 0.001 0.000 0.201 279 K C -1.544 174.867 176.600 -0.315 0.000 1.046 279 K CA 0.743 56.986 56.287 -0.073 0.000 0.940 279 K CB -0.423 32.104 32.500 0.046 0.000 0.748 279 K HN 0.430 nan 8.250 nan 0.000 0.465 280 P HA -0.072 nan 4.420 nan 0.000 0.206 280 P C -0.327 176.788 177.300 -0.308 0.000 1.093 280 P CA 0.758 63.520 63.100 -0.563 0.000 0.703 280 P CB 0.179 31.688 31.700 -0.319 0.000 0.622 281 D N -0.996 119.306 120.400 -0.162 0.000 2.404 281 D HA 0.556 5.196 4.640 0.001 0.000 0.267 281 D C -1.327 174.955 176.300 -0.029 0.000 1.194 281 D CA -0.572 53.385 54.000 -0.072 0.000 0.910 281 D CB -0.287 40.487 40.800 -0.042 0.000 1.090 281 D HN 0.237 nan 8.370 nan 0.000 0.511 282 A N 2.835 125.649 122.820 -0.011 0.000 2.583 282 A HA 0.768 5.088 4.320 0.001 0.000 0.289 282 A C -1.402 176.207 177.584 0.043 0.000 1.151 282 A CA -0.853 51.198 52.037 0.023 0.000 0.695 282 A CB 1.713 20.734 19.000 0.035 0.000 1.290 282 A HN 0.370 nan 8.150 nan 0.000 0.419 283 Q N 0.232 120.067 119.800 0.059 0.000 2.292 283 Q HA 0.585 4.926 4.340 0.001 0.000 0.270 283 Q C -1.547 174.496 176.000 0.072 0.000 1.024 283 Q CA -0.261 55.578 55.803 0.060 0.000 0.768 283 Q CB 1.906 30.678 28.738 0.057 0.000 1.250 283 Q HN 0.705 nan 8.270 nan 0.000 0.447 284 T N 4.623 119.216 114.554 0.065 0.000 2.770 284 T HA 0.494 4.844 4.350 0.001 0.000 0.283 284 T C -0.447 174.221 174.700 -0.052 0.000 0.988 284 T CA -0.520 61.608 62.100 0.047 0.000 0.957 284 T CB 0.502 69.434 68.868 0.107 0.000 0.930 284 T HN 0.418 nan 8.240 nan 0.000 0.443 285 I N 3.650 124.171 120.570 -0.081 0.000 2.354 285 I HA 0.387 4.557 4.170 0.001 0.000 0.292 285 I C -0.158 175.825 176.117 -0.224 0.000 0.989 285 I CA -1.088 60.130 61.300 -0.136 0.000 1.188 285 I CB 1.415 39.327 38.000 -0.148 0.000 1.342 285 I HN 0.321 nan 8.210 nan 0.000 0.457 286 V N 6.868 126.624 119.914 -0.264 0.000 2.284 286 V HA 0.269 4.389 4.120 0.001 0.000 0.274 286 V C 0.500 176.499 176.094 -0.159 0.000 1.023 286 V CA -1.013 61.105 62.300 -0.304 0.000 0.808 286 V CB 0.782 32.245 31.823 -0.600 0.000 1.035 286 V HN 0.655 nan 8.190 nan 0.000 0.445 287 K N 2.474 122.805 120.400 -0.115 0.000 2.440 287 K HA 0.098 4.419 4.320 0.001 0.000 0.270 287 K C 1.165 177.769 176.600 0.007 0.000 0.980 287 K CA 0.243 56.508 56.287 -0.037 0.000 0.953 287 K CB 0.663 33.138 32.500 -0.042 0.000 0.925 287 K HN 0.568 nan 8.250 nan 0.000 0.497 288 N N 1.146 119.876 118.700 0.049 0.000 2.104 288 N HA -0.171 4.569 4.740 0.001 0.000 0.190 288 N C 0.544 176.098 175.510 0.074 0.000 1.024 288 N CA 1.024 54.118 53.050 0.072 0.000 0.853 288 N CB 0.041 38.604 38.487 0.128 0.000 1.008 288 N HN 0.467 nan 8.380 nan 0.000 0.424 289 D N -0.372 120.072 120.400 0.073 0.000 2.350 289 D HA -0.013 4.628 4.640 0.001 0.000 0.216 289 D C 0.786 177.126 176.300 0.065 0.000 0.968 289 D CA 0.591 54.629 54.000 0.063 0.000 0.894 289 D CB -0.055 40.776 40.800 0.053 0.000 0.909 289 D HN 0.356 nan 8.370 nan 0.000 0.520 290 C N -0.304 119.039 119.300 0.073 0.000 3.038 290 C HA 0.292 4.753 4.460 0.001 0.000 0.279 290 C C 2.442 177.535 174.990 0.171 0.000 1.276 290 C CA -0.559 58.534 59.018 0.124 0.000 1.697 290 C CB -0.844 26.973 27.740 0.128 0.000 2.032 290 C HN 0.330 nan 8.230 nan 0.000 0.636 291 L N 0.571 121.864 121.223 0.116 0.000 2.013 291 L HA -0.200 4.140 4.340 0.001 0.000 0.212 291 L C 2.464 179.442 176.870 0.180 0.000 1.073 291 L CA 1.731 56.651 54.840 0.134 0.000 0.753 291 L CB -0.471 41.639 42.059 0.085 0.000 0.890 291 L HN 0.395 nan 8.230 nan 0.000 0.432 292 L N -0.879 120.427 121.223 0.138 0.000 2.072 292 L HA -0.177 4.163 4.340 0.001 0.000 0.205 292 L C 2.277 179.246 176.870 0.165 0.000 1.079 292 L CA 0.947 55.862 54.840 0.125 0.000 0.752 292 L CB -0.814 41.292 42.059 0.078 0.000 0.906 292 L HN 0.304 nan 8.230 nan 0.000 0.436 293 D N 0.170 120.693 120.400 0.205 0.000 2.123 293 D HA -0.232 4.408 4.640 0.001 0.000 0.196 293 D C 1.933 178.484 176.300 0.417 0.000 0.992 293 D CA 1.379 55.545 54.000 0.277 0.000 0.833 293 D CB -0.243 40.732 40.800 0.292 0.000 0.954 293 D HN 0.217 nan 8.370 nan 0.000 0.455 294 F N 1.226 121.295 119.950 0.198 0.000 2.084 294 F HA -0.132 4.395 4.527 0.000 0.000 0.296 294 F C 2.048 177.879 175.800 0.051 0.000 1.111 294 F CA 0.738 58.638 58.000 -0.168 0.000 1.224 294 F CB -0.300 38.461 39.000 -0.398 0.000 0.991 294 F HN -0.172 nan 8.300 nan 0.000 0.471 295 L N 0.357 121.630 121.223 0.083 0.000 2.131 295 L HA -0.188 4.152 4.340 0.001 0.000 0.210 295 L C 1.357 178.295 176.870 0.114 0.000 1.092 295 L CA 1.648 56.548 54.840 0.101 0.000 0.759 295 L CB -1.144 41.018 42.059 0.170 0.000 0.903 295 L HN 0.157 nan 8.230 nan 0.000 0.435 296 D N -2.232 118.221 120.400 0.088 0.000 2.342 296 D HA 0.022 4.663 4.640 0.001 0.000 0.221 296 D C 2.050 178.371 176.300 0.036 0.000 1.101 296 D CA 0.484 54.520 54.000 0.060 0.000 0.837 296 D CB -0.229 40.612 40.800 0.068 0.000 0.938 296 D HN 0.454 nan 8.370 nan 0.000 0.508 297 C N -0.758 118.550 119.300 0.014 0.000 2.422 297 C HA 0.289 4.749 4.460 0.001 0.000 0.286 297 C C 1.930 176.889 174.990 -0.051 0.000 1.412 297 C CA 0.612 59.659 59.018 0.048 0.000 1.786 297 C CB -0.847 26.976 27.740 0.138 0.000 1.835 297 C HN 0.421 nan 8.230 nan 0.000 0.533 298 G N 0.182 108.896 108.800 -0.144 0.000 2.284 298 G HA2 -0.193 3.767 3.960 0.001 0.000 0.201 298 G HA3 -0.193 3.767 3.960 0.001 0.000 0.201 298 G C 0.852 175.583 174.900 -0.282 0.000 0.998 298 G CA 0.261 45.269 45.100 -0.153 0.000 0.651 298 G HN 0.526 nan 8.290 nan 0.000 0.489 299 K N -0.389 119.669 120.400 -0.569 0.000 2.400 299 K HA 0.362 4.682 4.320 0.001 0.000 0.194 299 K C 0.131 176.227 176.600 -0.840 0.000 1.033 299 K CA 0.316 56.133 56.287 -0.783 0.000 1.021 299 K CB 0.166 32.029 32.500 -1.062 0.000 0.808 299 K HN 0.418 nan 8.250 nan 0.000 0.505 300 F N 0.774 120.611 119.950 -0.189 0.000 2.556 300 F HA 0.395 4.923 4.527 0.000 0.000 0.327 300 F C 0.407 176.080 175.800 -0.211 0.000 1.059 300 F CA -1.292 56.564 58.000 -0.239 0.000 0.953 300 F CB 1.540 40.336 39.000 -0.340 0.000 1.227 300 F HN -0.267 nan 8.300 nan 0.000 0.478 301 E N 0.675 120.845 120.200 -0.050 0.000 2.446 301 E HA 0.265 4.615 4.350 0.001 0.000 0.276 301 E C 0.679 177.150 176.600 -0.216 0.000 0.969 301 E CA -0.707 55.641 56.400 -0.087 0.000 0.800 301 E CB 2.436 32.103 29.700 -0.054 0.000 1.341 301 E HN 0.730 nan 8.360 nan 0.000 0.460 302 I N 1.067 121.579 120.570 -0.097 0.000 2.315 302 I HA -0.294 3.876 4.170 0.001 0.000 0.251 302 I C 1.644 177.720 176.117 -0.069 0.000 1.125 302 I CA 2.199 63.480 61.300 -0.032 0.000 1.392 302 I CB 0.141 38.196 38.000 0.090 0.000 1.065 302 I HN 0.567 nan 8.210 nan 0.000 0.424 303 T N -3.130 111.379 114.554 -0.075 0.000 3.160 303 T HA 0.066 4.416 4.350 0.001 0.000 0.257 303 T C 1.552 176.211 174.700 -0.069 0.000 1.147 303 T CA 0.787 62.862 62.100 -0.042 0.000 1.064 303 T CB -0.123 68.726 68.868 -0.033 0.000 0.949 303 T HN 0.244 nan 8.240 nan 0.000 0.526 304 S N 0.392 115.963 115.700 -0.215 0.000 2.496 304 S HA 0.306 4.777 4.470 0.001 0.000 0.224 304 S C 0.250 174.776 174.600 -0.122 0.000 0.996 304 S CA -0.269 57.817 58.200 -0.190 0.000 0.927 304 S CB -0.293 62.753 63.200 -0.258 0.000 0.774 304 S HN 0.621 nan 8.310 nan 0.000 0.524 305 F N 1.115 121.109 119.950 0.074 0.000 2.429 305 F HA 0.100 4.627 4.527 0.000 0.000 0.348 305 F C 1.501 177.418 175.800 0.196 0.000 1.109 305 F CA -1.094 56.973 58.000 0.112 0.000 1.232 305 F CB 0.326 39.373 39.000 0.077 0.000 1.157 305 F HN 0.225 nan 8.300 nan 0.000 0.564 306 W N 2.565 124.008 121.300 0.238 0.000 2.346 306 W HA -0.444 4.216 4.660 0.000 0.000 0.353 306 W C 2.090 178.675 176.519 0.110 0.000 1.494 306 W CA 2.280 59.711 57.345 0.142 0.000 1.366 306 W CB -0.575 28.956 29.460 0.119 0.000 1.037 306 W HN 0.600 nan 8.180 nan 0.000 0.479 307 T N -0.845 113.557 114.554 -0.254 0.000 3.118 307 T HA -0.018 4.333 4.350 0.001 0.000 0.260 307 T C 1.040 175.634 174.700 -0.178 0.000 1.139 307 T CA 0.723 62.547 62.100 -0.459 0.000 1.085 307 T CB -0.257 68.396 68.868 -0.358 0.000 0.934 307 T HN 0.053 nan 8.240 nan 0.000 0.518 308 L N 1.331 122.544 121.223 -0.017 0.000 2.653 308 L HA 0.495 4.835 4.340 0.001 0.000 0.231 308 L C 2.126 179.001 176.870 0.010 0.000 1.153 308 L CA -0.093 54.757 54.840 0.017 0.000 0.933 308 L CB -0.307 41.812 42.059 0.100 0.000 1.175 308 L HN 0.435 nan 8.230 nan 0.000 0.473 309 G N -1.151 107.646 108.800 -0.004 0.000 3.088 309 G HA2 0.346 4.307 3.960 0.001 0.000 0.212 309 G HA3 0.346 4.307 3.960 0.001 0.000 0.212 309 G C 0.768 175.656 174.900 -0.019 0.000 1.173 309 G CA 0.590 45.692 45.100 0.004 0.000 0.779 309 G HN 0.449 nan 8.290 nan 0.000 0.540 310 G N -0.601 108.175 108.800 -0.040 0.000 3.234 310 G HA2 0.321 4.282 3.960 0.001 0.000 0.159 310 G HA3 0.321 4.282 3.960 0.001 0.000 0.159 310 G C 0.961 175.842 174.900 -0.032 0.000 1.175 310 G CA 0.412 45.489 45.100 -0.039 0.000 0.900 310 G HN -0.054 nan 8.290 nan 0.000 0.621 311 V N 0.388 120.282 119.914 -0.033 0.000 2.332 311 V HA -0.123 3.997 4.120 0.001 0.000 0.248 311 V C 2.800 178.884 176.094 -0.017 0.000 1.055 311 V CA 1.966 64.252 62.300 -0.023 0.000 1.038 311 V CB -0.603 31.206 31.823 -0.024 0.000 0.651 311 V HN 0.435 nan 8.190 nan 0.000 0.450 312 L N 1.450 122.657 121.223 -0.025 0.000 2.017 312 L HA -0.040 4.301 4.340 0.001 0.000 0.208 312 L C 2.364 179.232 176.870 -0.002 0.000 1.073 312 L CA 2.535 57.366 54.840 -0.015 0.000 0.745 312 L CB -1.390 40.649 42.059 -0.033 0.000 0.894 312 L HN 0.260 nan 8.230 nan 0.000 0.432 313 G N -1.010 107.785 108.800 -0.007 0.000 2.440 313 G HA2 -0.348 3.612 3.960 0.001 0.000 0.218 313 G HA3 -0.348 3.612 3.960 0.001 0.000 0.218 313 G C 1.713 176.620 174.900 0.012 0.000 1.154 313 G CA 1.423 46.528 45.100 0.008 0.000 0.767 313 G HN 0.562 nan 8.290 nan 0.000 0.552 314 K N 0.665 121.066 120.400 0.001 0.000 2.148 314 K HA 0.046 4.366 4.320 0.001 0.000 0.204 314 K C 2.153 178.766 176.600 0.021 0.000 1.050 314 K CA 1.834 58.123 56.287 0.002 0.000 0.942 314 K CB -0.640 31.855 32.500 -0.009 0.000 0.724 314 K HN 0.585 nan 8.250 nan 0.000 0.446 315 E N 0.090 120.305 120.200 0.025 0.000 2.072 315 E HA -0.067 4.283 4.350 0.001 0.000 0.191 315 E C 2.098 178.736 176.600 0.063 0.000 0.985 315 E CA 0.872 57.298 56.400 0.043 0.000 0.801 315 E CB -0.144 29.582 29.700 0.043 0.000 0.750 315 E HN 0.533 nan 8.360 nan 0.000 0.452 316 L N 0.777 122.033 121.223 0.055 0.000 2.079 316 L HA -0.204 4.136 4.340 0.001 0.000 0.210 316 L C 2.533 179.453 176.870 0.084 0.000 1.081 316 L CA 0.864 55.745 54.840 0.068 0.000 0.752 316 L CB -0.408 41.681 42.059 0.050 0.000 0.896 316 L HN 0.262 nan 8.230 nan 0.000 0.433 317 I N -0.140 120.471 120.570 0.068 0.000 2.208 317 I HA -0.323 3.848 4.170 0.001 0.000 0.245 317 I C 2.158 178.328 176.117 0.088 0.000 1.097 317 I CA 1.367 62.710 61.300 0.072 0.000 1.363 317 I CB -0.348 37.687 38.000 0.057 0.000 1.051 317 I HN 0.336 nan 8.210 nan 0.000 0.413 318 D N 0.288 120.740 120.400 0.087 0.000 2.091 318 D HA -0.101 4.540 4.640 0.001 0.000 0.199 318 D C 2.383 178.761 176.300 0.129 0.000 0.980 318 D CA 1.126 55.183 54.000 0.096 0.000 0.831 318 D CB -0.310 40.538 40.800 0.080 0.000 0.987 318 D HN 0.129 nan 8.370 nan 0.000 0.460 319 V N 1.476 121.474 119.914 0.139 0.000 2.332 319 V HA -0.203 3.918 4.120 0.001 0.000 0.248 319 V C 2.325 178.600 176.094 0.302 0.000 1.055 319 V CA 1.284 63.694 62.300 0.182 0.000 1.038 319 V CB -0.395 31.520 31.823 0.153 0.000 0.651 319 V HN 0.200 nan 8.190 nan 0.000 0.450 320 L N -0.242 121.141 121.223 0.268 0.000 2.611 320 L HA 0.222 4.563 4.340 0.001 0.000 0.229 320 L C 0.715 177.736 176.870 0.251 0.000 1.137 320 L CA 0.086 55.124 54.840 0.330 0.000 0.901 320 L CB -0.461 41.737 42.059 0.231 0.000 1.098 320 L HN 0.337 nan 8.230 nan 0.000 0.456 321 D N 1.873 122.381 120.400 0.181 0.000 2.802 321 D HA -0.202 4.438 4.640 0.001 0.000 0.229 321 D C -0.312 175.947 176.300 -0.068 0.000 1.203 321 D CA 0.697 54.748 54.000 0.085 0.000 0.712 321 D CB -0.753 40.122 40.800 0.125 0.000 0.973 321 D HN 0.197 nan 8.370 nan 0.000 0.407 322 L N 0.934 122.107 121.223 -0.084 0.000 2.357 322 L HA 0.560 4.901 4.340 0.001 0.000 0.273 322 L C -1.227 175.528 176.870 -0.192 0.000 1.080 322 L CA -1.778 52.907 54.840 -0.259 0.000 0.803 322 L CB 0.765 42.777 42.059 -0.079 0.000 1.174 322 L HN 0.072 nan 8.230 nan 0.000 0.443 323 P HA 0.070 nan 4.420 nan 0.000 0.274 323 P C -0.149 177.165 177.300 0.022 0.000 1.246 323 P CA -0.214 62.794 63.100 -0.153 0.000 0.795 323 P CB 0.626 32.251 31.700 -0.124 0.000 1.006 324 H N -1.188 117.850 119.070 -0.053 0.000 2.547 324 H HA 0.108 4.665 4.556 0.001 0.000 0.272 324 H C 0.274 175.581 175.328 -0.035 0.000 0.989 324 H CA 0.259 56.284 56.048 -0.038 0.000 1.214 324 H CB 0.580 30.324 29.762 -0.030 0.000 1.389 324 H HN 0.446 nan 8.280 nan 0.000 0.577 325 E N 0.864 121.111 120.200 0.078 0.000 2.248 325 E HA 0.136 4.487 4.350 0.001 0.000 0.267 325 E C -0.356 176.260 176.600 0.026 0.000 0.877 325 E CA -0.736 55.684 56.400 0.034 0.000 0.759 325 E CB 1.542 31.253 29.700 0.018 0.000 1.182 325 E HN 0.225 nan 8.360 nan 0.000 0.418 326 N N 1.261 119.975 118.700 0.023 0.000 2.754 326 N HA -0.190 4.550 4.740 0.001 0.000 0.248 326 N C 0.886 176.442 175.510 0.076 0.000 1.093 326 N CA 1.113 54.188 53.050 0.042 0.000 0.699 326 N CB -1.330 37.182 38.487 0.041 0.000 1.016 326 N HN 0.603 nan 8.380 nan 0.000 0.552 327 S N -0.585 115.153 115.700 0.064 0.000 2.399 327 S HA -0.077 4.393 4.470 0.001 0.000 0.231 327 S C 1.914 176.601 174.600 0.146 0.000 1.022 327 S CA 0.972 59.224 58.200 0.086 0.000 0.983 327 S CB -0.118 63.115 63.200 0.055 0.000 0.803 327 S HN 0.461 nan 8.310 nan 0.000 0.480 328 I N 1.972 122.613 120.570 0.120 0.000 2.142 328 I HA -0.197 3.973 4.170 0.001 0.000 0.240 328 I C 2.824 179.019 176.117 0.129 0.000 1.078 328 I CA 1.747 63.138 61.300 0.150 0.000 1.343 328 I CB -0.343 37.747 38.000 0.151 0.000 1.046 328 I HN 0.306 nan 8.210 nan 0.000 0.405 329 K N 0.095 120.556 120.400 0.100 0.000 2.097 329 K HA -0.272 4.048 4.320 0.001 0.000 0.206 329 K C 2.417 179.047 176.600 0.050 0.000 1.049 329 K CA 1.411 57.734 56.287 0.060 0.000 0.933 329 K CB -0.278 32.249 32.500 0.045 0.000 0.717 329 K HN 0.387 nan 8.250 nan 0.000 0.442 330 H N 1.021 120.093 119.070 0.003 0.000 2.319 330 H HA -0.151 4.405 4.556 0.001 0.000 0.297 330 H C 2.034 177.348 175.328 -0.022 0.000 1.097 330 H CA 2.217 58.247 56.048 -0.030 0.000 1.285 330 H CB -0.133 29.620 29.762 -0.015 0.000 1.368 330 H HN 0.232 nan 8.280 nan 0.000 0.495 331 I N 0.384 121.099 120.570 0.242 0.000 2.208 331 I HA -0.276 3.894 4.170 0.001 0.000 0.245 331 I C 3.046 179.277 176.117 0.190 0.000 1.097 331 I CA 0.986 62.488 61.300 0.336 0.000 1.363 331 I CB -0.283 37.907 38.000 0.316 0.000 1.051 331 I HN 0.205 nan 8.210 nan 0.000 0.413 332 R N 0.775 121.302 120.500 0.045 0.000 2.080 332 R HA -0.188 4.152 4.340 0.001 0.000 0.236 332 R C 2.037 178.293 176.300 -0.073 0.000 1.137 332 R CA 1.722 57.789 56.100 -0.054 0.000 0.943 332 R CB -0.299 29.958 30.300 -0.072 0.000 0.846 332 R HN 0.475 nan 8.270 nan 0.000 0.431 333 E N -0.880 119.240 120.200 -0.132 0.000 2.435 333 E HA -0.035 4.315 4.350 0.001 0.000 0.195 333 E C 1.427 177.834 176.600 -0.322 0.000 1.029 333 E CA 0.769 57.058 56.400 -0.185 0.000 0.865 333 E CB 0.273 29.866 29.700 -0.178 0.000 0.833 333 E HN 0.258 nan 8.360 nan 0.000 0.510 334 T N -0.106 114.136 114.554 -0.520 0.000 3.043 334 T HA -0.030 4.321 4.350 0.001 0.000 0.263 334 T C 0.134 174.218 174.700 -1.027 0.000 1.094 334 T CA 0.583 62.099 62.100 -0.972 0.000 1.127 334 T CB 0.131 68.022 68.868 -1.627 0.000 0.905 334 T HN 0.235 nan 8.240 nan 0.000 0.490 335 W N 2.088 123.352 121.300 -0.060 0.000 1.713 335 W HA 0.272 4.933 4.660 0.000 0.000 0.303 335 W C -2.392 174.214 176.519 0.146 0.000 0.915 335 W CA -2.075 55.299 57.345 0.048 0.000 1.751 335 W CB 0.411 29.920 29.460 0.081 0.000 1.955 335 W HN 0.088 nan 8.180 nan 0.000 0.405 336 P HA -0.157 nan 4.420 nan 0.000 0.217 336 P C 0.902 178.366 177.300 0.272 0.000 1.151 336 P CA 1.631 64.823 63.100 0.153 0.000 0.828 336 P CB 0.599 32.322 31.700 0.037 0.000 0.788 337 D N 0.071 120.627 120.400 0.258 0.000 2.149 337 D HA -0.015 4.625 4.640 0.001 0.000 0.206 337 D C 0.787 177.209 176.300 0.203 0.000 0.967 337 D CA 1.123 55.250 54.000 0.212 0.000 0.848 337 D CB -0.168 40.700 40.800 0.115 0.000 0.998 337 D HN 0.459 nan 8.370 nan 0.000 0.474 338 N N -1.989 116.763 118.700 0.088 0.000 2.823 338 N HA 0.417 5.158 4.740 0.001 0.000 0.251 338 N C 0.029 175.158 175.510 -0.634 0.000 1.392 338 N CA -0.360 52.457 53.050 -0.388 0.000 0.864 338 N CB 1.287 39.651 38.487 -0.205 0.000 1.481 338 N HN -0.156 nan 8.380 nan 0.000 0.508 339 A N 0.211 122.400 122.820 -1.051 0.000 1.972 339 A HA 0.090 4.411 4.320 0.001 0.000 0.219 339 A C 1.970 179.400 177.584 -0.257 0.000 1.169 339 A CA 1.847 53.509 52.037 -0.624 0.000 0.635 339 A CB -1.625 17.074 19.000 -0.501 0.000 0.810 339 A HN 0.847 nan 8.150 nan 0.000 0.446 340 G N -0.605 108.069 108.800 -0.209 0.000 2.475 340 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 340 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 340 G C 1.557 176.432 174.900 -0.043 0.000 1.125 340 G CA 1.075 46.113 45.100 -0.103 0.000 0.755 340 G HN 0.677 nan 8.290 nan 0.000 0.565 341 Q N -0.753 119.048 119.800 0.002 0.000 2.084 341 Q HA -0.056 4.284 4.340 0.001 0.000 0.202 341 Q C 2.485 178.531 176.000 0.077 0.000 0.978 341 Q CA 1.172 57.058 55.803 0.137 0.000 0.844 341 Q CB -0.284 28.622 28.738 0.280 0.000 0.898 341 Q HN 0.449 nan 8.270 nan 0.000 0.426 342 L N 1.307 122.438 121.223 -0.155 0.000 2.093 342 L HA -0.141 4.199 4.340 0.001 0.000 0.208 342 L C 2.181 178.887 176.870 -0.273 0.000 1.085 342 L CA 1.782 56.264 54.840 -0.598 0.000 0.755 342 L CB -0.421 41.284 42.059 -0.589 0.000 0.904 342 L HN 0.037 nan 8.230 nan 0.000 0.435 343 K N -0.229 120.083 120.400 -0.148 0.000 2.026 343 K HA -0.226 4.094 4.320 0.001 0.000 0.208 343 K C 2.081 178.651 176.600 -0.050 0.000 1.048 343 K CA 2.002 58.231 56.287 -0.096 0.000 0.929 343 K CB -0.170 32.281 32.500 -0.081 0.000 0.713 343 K HN 0.477 nan 8.250 nan 0.000 0.439 344 E N 0.782 120.978 120.200 -0.008 0.000 2.085 344 E HA -0.240 4.110 4.350 0.001 0.000 0.194 344 E C 1.675 178.303 176.600 0.047 0.000 0.994 344 E CA 1.631 58.045 56.400 0.023 0.000 0.801 344 E CB -1.098 28.639 29.700 0.062 0.000 0.743 344 E HN 0.534 nan 8.360 nan 0.000 0.453 345 F N 0.505 120.432 119.950 -0.039 0.000 2.171 345 F HA -0.019 4.508 4.527 0.000 0.000 0.300 345 F C 2.227 177.985 175.800 -0.069 0.000 1.090 345 F CA 1.629 59.634 58.000 0.008 0.000 1.293 345 F CB -0.018 39.026 39.000 0.073 0.000 1.013 345 F HN 0.159 nan 8.300 nan 0.000 0.486 346 L N -0.282 120.946 121.223 0.008 0.000 2.109 346 L HA -0.177 4.163 4.340 0.001 0.000 0.207 346 L C 2.026 178.783 176.870 -0.188 0.000 1.086 346 L CA 1.116 55.900 54.840 -0.093 0.000 0.760 346 L CB -0.735 41.276 42.059 -0.079 0.000 0.910 346 L HN 0.052 nan 8.230 nan 0.000 0.437 347 D N 0.237 120.549 120.400 -0.147 0.000 2.178 347 D HA -0.127 4.513 4.640 0.001 0.000 0.202 347 D C 2.164 178.354 176.300 -0.183 0.000 0.974 347 D CA 1.377 55.286 54.000 -0.152 0.000 0.841 347 D CB 0.159 40.901 40.800 -0.097 0.000 0.953 347 D HN 0.316 nan 8.370 nan 0.000 0.478 348 A N 0.941 123.637 122.820 -0.207 0.000 1.929 348 A HA -0.114 4.206 4.320 0.001 0.000 0.216 348 A C 2.095 179.515 177.584 -0.273 0.000 1.176 348 A CA 0.925 52.831 52.037 -0.219 0.000 0.628 348 A CB -0.070 18.790 19.000 -0.233 0.000 0.816 348 A HN -0.055 nan 8.150 nan 0.000 0.444 349 K N -0.308 119.870 120.400 -0.370 0.000 2.097 349 K HA -0.054 4.267 4.320 0.001 0.000 0.205 349 K C 1.913 178.293 176.600 -0.367 0.000 1.050 349 K CA 1.301 57.387 56.287 -0.336 0.000 0.938 349 K CB -0.914 31.390 32.500 -0.326 0.000 0.718 349 K HN 0.321 nan 8.250 nan 0.000 0.442 350 V N 1.545 121.156 119.914 -0.505 0.000 2.667 350 V HA -0.158 3.963 4.120 0.001 0.000 0.252 350 V C 1.535 177.365 176.094 -0.441 0.000 1.065 350 V CA 1.609 63.383 62.300 -0.876 0.000 1.083 350 V CB -0.183 31.225 31.823 -0.691 0.000 0.692 350 V HN 0.258 nan 8.190 nan 0.000 0.468 351 K N -0.326 119.937 120.400 -0.228 0.000 2.426 351 K HA 0.077 4.397 4.320 0.001 0.000 0.193 351 K C 0.899 177.474 176.600 -0.042 0.000 1.028 351 K CA -0.129 56.101 56.287 -0.095 0.000 1.047 351 K CB 0.181 32.630 32.500 -0.086 0.000 0.821 351 K HN 0.513 nan 8.250 nan 0.000 0.513 352 Q N 0.879 120.648 119.800 -0.051 0.000 2.364 352 Q HA -0.041 4.300 4.340 0.001 0.000 0.267 352 Q C 1.130 177.168 176.000 0.063 0.000 0.999 352 Q CA -0.059 55.743 55.803 -0.002 0.000 0.886 352 Q CB 1.019 29.750 28.738 -0.012 0.000 1.243 352 Q HN 0.224 nan 8.270 nan 0.000 0.415 353 S N 2.185 117.910 115.700 0.042 0.000 2.370 353 S HA -0.210 4.260 4.470 0.001 0.000 0.226 353 S C 1.110 175.744 174.600 0.057 0.000 1.033 353 S CA 1.558 59.785 58.200 0.046 0.000 1.011 353 S CB -0.233 62.981 63.200 0.024 0.000 0.852 353 S HN 0.894 nan 8.310 nan 0.000 0.457 354 D N -0.236 120.200 120.400 0.059 0.000 2.363 354 D HA -0.084 4.556 4.640 0.001 0.000 0.226 354 D C 0.342 176.686 176.300 0.073 0.000 1.020 354 D CA -0.224 53.806 54.000 0.050 0.000 0.892 354 D CB -0.778 40.047 40.800 0.042 0.000 0.900 354 D HN 0.585 nan 8.370 nan 0.000 0.531 355 Y N 1.684 121.975 120.300 -0.015 0.000 2.377 355 Y HA 0.277 4.828 4.550 0.001 0.000 0.330 355 Y C -0.636 175.257 175.900 -0.012 0.000 1.108 355 Y CA -0.924 57.167 58.100 -0.015 0.000 1.308 355 Y CB 0.914 39.361 38.460 -0.023 0.000 1.216 355 Y HN -0.261 nan 8.280 nan 0.000 0.518 356 D N 6.015 125.996 120.400 -0.698 0.000 2.479 356 D HA 0.194 4.835 4.640 0.001 0.000 0.247 356 D C 1.100 176.950 176.300 -0.751 0.000 1.119 356 D CA -0.273 53.405 54.000 -0.538 0.000 0.922 356 D CB 0.303 40.937 40.800 -0.277 0.000 1.014 356 D HN 0.757 nan 8.370 nan 0.000 0.510 357 R N 1.572 121.648 120.500 -0.707 0.000 2.139 357 R HA -0.140 4.200 4.340 0.001 0.000 0.243 357 R C 1.338 177.528 176.300 -0.183 0.000 1.145 357 R CA 1.366 57.251 56.100 -0.359 0.000 0.976 357 R CB 0.172 30.466 30.300 -0.010 0.000 0.866 357 R HN 0.279 nan 8.270 nan 0.000 0.449 358 S N -0.818 114.785 115.700 -0.162 0.000 2.382 358 S HA -0.115 4.355 4.470 0.001 0.000 0.228 358 S C 1.665 176.209 174.600 -0.092 0.000 1.027 358 S CA 1.813 59.955 58.200 -0.098 0.000 0.991 358 S CB 0.036 63.188 63.200 -0.081 0.000 0.823 358 S HN 0.674 nan 8.310 nan 0.000 0.469 359 T N -2.061 112.417 114.554 -0.126 0.000 3.040 359 T HA 0.287 4.637 4.350 0.001 0.000 0.266 359 T C 0.487 175.131 174.700 -0.092 0.000 1.005 359 T CA -0.200 61.844 62.100 -0.093 0.000 0.906 359 T CB 0.235 69.053 68.868 -0.084 0.000 1.082 359 T HN 0.111 nan 8.240 nan 0.000 0.531 360 S N 1.244 116.864 115.700 -0.132 0.000 2.564 360 S HA 0.248 4.718 4.470 0.001 0.000 0.278 360 S C 0.728 175.327 174.600 -0.002 0.000 1.333 360 S CA -0.481 57.676 58.200 -0.072 0.000 1.048 360 S CB 0.257 63.396 63.200 -0.101 0.000 0.900 360 S HN 0.486 nan 8.310 nan 0.000 0.505 361 N N 2.804 121.516 118.700 0.020 0.000 2.336 361 N HA 0.268 5.009 4.740 0.001 0.000 0.189 361 N C -0.451 175.080 175.510 0.035 0.000 1.113 361 N CA 0.173 53.232 53.050 0.015 0.000 0.858 361 N CB 0.067 38.554 38.487 0.001 0.000 0.970 361 N HN 0.516 nan 8.380 nan 0.000 0.471 362 I N 0.454 121.072 120.570 0.080 0.000 2.353 362 I HA 0.088 4.258 4.170 0.001 0.000 0.293 362 I C -0.239 175.938 176.117 0.099 0.000 0.992 362 I CA -0.662 60.689 61.300 0.085 0.000 1.268 362 I CB 1.049 39.117 38.000 0.113 0.000 1.387 362 I HN 0.000 nan 8.210 nan 0.000 0.478 363 D N 9.428 129.857 120.400 0.049 0.000 2.411 363 D HA 0.165 4.805 4.640 0.001 0.000 0.225 363 D C -1.431 174.883 176.300 0.022 0.000 1.156 363 D CA -2.090 51.935 54.000 0.043 0.000 0.874 363 D CB 1.515 42.328 40.800 0.020 0.000 1.034 363 D HN 0.280 nan 8.370 nan 0.000 0.502 364 P HA -0.119 nan 4.420 nan 0.000 0.223 364 P C 1.353 178.638 177.300 -0.025 0.000 1.144 364 P CA 0.637 63.723 63.100 -0.023 0.000 0.783 364 P CB 0.425 32.128 31.700 0.004 0.000 0.771 365 L N -1.276 119.944 121.223 -0.005 0.000 2.567 365 L HA 0.121 4.462 4.340 0.001 0.000 0.225 365 L C 1.328 178.191 176.870 -0.012 0.000 1.119 365 L CA 0.626 55.461 54.840 -0.008 0.000 0.871 365 L CB -0.280 41.780 42.059 0.002 0.000 1.036 365 L HN -0.123 nan 8.230 nan 0.000 0.459 366 K N -0.297 120.095 120.400 -0.014 0.000 3.239 366 K HA 0.146 4.466 4.320 0.001 0.000 0.204 366 K C 1.037 177.621 176.600 -0.027 0.000 1.126 366 K CA 0.043 56.321 56.287 -0.015 0.000 0.948 366 K CB 0.695 33.193 32.500 -0.004 0.000 0.818 366 K HN 0.056 nan 8.250 nan 0.000 0.480 367 T N -2.671 111.858 114.554 -0.041 0.000 2.995 367 T HA -0.032 4.318 4.350 0.001 0.000 0.269 367 T C 1.991 176.656 174.700 -0.060 0.000 1.091 367 T CA 0.825 62.890 62.100 -0.058 0.000 1.128 367 T CB 0.069 68.891 68.868 -0.076 0.000 0.891 367 T HN 0.196 nan 8.240 nan 0.000 0.492 368 A N 2.476 125.267 122.820 -0.047 0.000 1.873 368 A HA -0.084 4.236 4.320 0.001 0.000 0.215 368 A C 2.194 179.755 177.584 -0.039 0.000 1.186 368 A CA 1.572 53.581 52.037 -0.047 0.000 0.616 368 A CB -0.708 18.271 19.000 -0.035 0.000 0.823 368 A HN 0.432 nan 8.150 nan 0.000 0.442 369 D N -0.426 119.961 120.400 -0.022 0.000 2.117 369 D HA -0.115 4.525 4.640 0.001 0.000 0.198 369 D C 1.852 178.134 176.300 -0.030 0.000 0.982 369 D CA 1.218 55.215 54.000 -0.004 0.000 0.828 369 D CB -0.382 40.427 40.800 0.014 0.000 0.967 369 D HN 0.343 nan 8.370 nan 0.000 0.464 370 L N 0.985 122.178 121.223 -0.049 0.000 2.027 370 L HA -0.031 4.310 4.340 0.001 0.000 0.206 370 L C 2.149 178.960 176.870 -0.099 0.000 1.074 370 L CA 1.688 56.481 54.840 -0.077 0.000 0.745 370 L CB -0.801 41.219 42.059 -0.065 0.000 0.898 370 L HN -0.036 nan 8.230 nan 0.000 0.433 371 A N -0.730 122.032 122.820 -0.095 0.000 1.883 371 A HA -0.298 4.023 4.320 0.001 0.000 0.217 371 A C 2.345 179.897 177.584 -0.054 0.000 1.186 371 A CA 1.963 53.934 52.037 -0.109 0.000 0.624 371 A CB -0.856 18.067 19.000 -0.128 0.000 0.822 371 A HN 0.619 nan 8.150 nan 0.000 0.444 372 E N -0.243 119.927 120.200 -0.049 0.000 2.110 372 E HA -0.253 4.098 4.350 0.001 0.000 0.193 372 E C 2.086 178.687 176.600 0.000 0.000 0.988 372 E CA 1.533 57.934 56.400 0.001 0.000 0.804 372 E CB -0.137 29.570 29.700 0.011 0.000 0.745 372 E HN 0.642 nan 8.360 nan 0.000 0.458 373 K N 0.003 120.316 120.400 -0.144 0.000 2.026 373 K HA -0.175 4.145 4.320 0.001 0.000 0.208 373 K C 2.048 178.396 176.600 -0.421 0.000 1.048 373 K CA 1.156 57.136 56.287 -0.511 0.000 0.929 373 K CB -0.007 32.179 32.500 -0.523 0.000 0.713 373 K HN 0.102 nan 8.250 nan 0.000 0.439 374 L N 0.396 121.500 121.223 -0.198 0.000 2.109 374 L HA -0.048 4.292 4.340 0.001 0.000 0.207 374 L C 2.114 178.976 176.870 -0.013 0.000 1.086 374 L CA 1.318 56.094 54.840 -0.107 0.000 0.760 374 L CB -0.893 41.124 42.059 -0.069 0.000 0.910 374 L HN 0.188 nan 8.230 nan 0.000 0.437 375 F N 0.615 120.507 119.950 -0.096 0.000 2.102 375 F HA -0.248 4.279 4.527 0.000 0.000 0.298 375 F C 2.399 178.189 175.800 -0.016 0.000 1.105 375 F CA 1.732 59.718 58.000 -0.024 0.000 1.239 375 F CB -0.039 38.950 39.000 -0.017 0.000 0.991 375 F HN -0.024 nan 8.300 nan 0.000 0.474 376 K N 0.125 120.613 120.400 0.148 0.000 2.025 376 K HA -0.117 4.203 4.320 0.001 0.000 0.207 376 K C 2.136 178.709 176.600 -0.045 0.000 1.049 376 K CA 1.591 57.932 56.287 0.090 0.000 0.933 376 K CB -0.477 32.157 32.500 0.223 0.000 0.714 376 K HN 0.315 nan 8.250 nan 0.000 0.438 377 L N 1.395 122.512 121.223 -0.177 0.000 2.042 377 L HA -0.214 4.126 4.340 0.001 0.000 0.210 377 L C 2.531 179.257 176.870 -0.241 0.000 1.076 377 L CA 1.544 56.156 54.840 -0.380 0.000 0.749 377 L CB -0.593 41.085 42.059 -0.635 0.000 0.893 377 L HN 0.293 nan 8.230 nan 0.000 0.432 378 S N -0.581 115.067 115.700 -0.086 0.000 2.507 378 S HA -0.123 4.347 4.470 0.001 0.000 0.235 378 S C 1.732 176.319 174.600 -0.022 0.000 0.988 378 S CA 0.583 58.798 58.200 0.024 0.000 0.944 378 S CB -0.214 62.993 63.200 0.011 0.000 0.762 378 S HN 0.454 nan 8.310 nan 0.000 0.526 379 R N 0.163 120.615 120.500 -0.080 0.000 2.437 379 R HA 0.338 4.678 4.340 0.001 0.000 0.257 379 R C 1.167 177.468 176.300 0.000 0.000 0.927 379 R CA 0.288 56.353 56.100 -0.059 0.000 1.078 379 R CB 0.338 30.559 30.300 -0.132 0.000 1.161 379 R HN 0.460 nan 8.270 nan 0.000 0.529 380 G N 2.173 110.969 108.800 -0.006 0.000 2.221 380 G HA2 -0.326 3.635 3.960 0.001 0.000 0.265 380 G HA3 -0.326 3.635 3.960 0.001 0.000 0.265 380 G C 0.382 175.292 174.900 0.017 0.000 1.041 380 G CA 0.202 45.307 45.100 0.008 0.000 0.807 380 G HN 0.357 nan 8.290 nan 0.000 0.502 381 R N -1.078 119.441 120.500 0.031 0.000 2.659 381 R HA 0.206 4.546 4.340 0.001 0.000 0.418 381 R C -0.236 176.134 176.300 0.116 0.000 1.076 381 R CA -0.577 55.562 56.100 0.065 0.000 1.093 381 R CB 0.632 30.979 30.300 0.078 0.000 1.400 381 R HN 0.330 nan 8.270 nan 0.000 0.583 382 Y N 1.074 121.343 120.300 -0.052 0.000 2.535 382 Y HA 0.425 4.975 4.550 0.001 0.000 0.349 382 Y C 0.262 176.151 175.900 -0.017 0.000 0.992 382 Y CA -1.202 56.875 58.100 -0.038 0.000 1.248 382 Y CB 0.674 39.075 38.460 -0.097 0.000 1.124 382 Y HN 0.092 nan 8.280 nan 0.000 0.520 383 G N 7.118 115.782 108.800 -0.225 0.000 2.339 383 G HA2 0.496 4.457 3.960 0.001 0.000 0.287 383 G HA3 0.496 4.457 3.960 0.001 0.000 0.287 383 G C -1.189 173.549 174.900 -0.270 0.000 1.163 383 G CA -0.617 44.383 45.100 -0.168 0.000 0.872 383 G HN 0.660 nan 8.290 nan 0.000 0.464 384 L N 4.186 125.214 121.223 -0.326 0.000 2.334 384 L HA 0.494 4.834 4.340 0.001 0.000 0.273 384 L C -1.828 174.640 176.870 -0.670 0.000 1.013 384 L CA -2.177 52.392 54.840 -0.451 0.000 0.816 384 L CB 2.998 44.825 42.059 -0.386 0.000 1.278 384 L HN 0.377 nan 8.230 nan 0.000 0.431 385 P HA 0.109 nan 4.420 nan 0.000 0.274 385 P C -0.934 176.016 177.300 -0.582 0.000 1.237 385 P CA -0.535 61.845 63.100 -1.199 0.000 0.793 385 P CB 1.045 32.080 31.700 -1.108 0.000 0.977 386 L N 1.764 122.736 121.223 -0.418 0.000 2.401 386 L HA 0.171 4.511 4.340 0.001 0.000 0.283 386 L C 0.799 177.557 176.870 -0.187 0.000 1.151 386 L CA 0.745 55.415 54.840 -0.283 0.000 0.942 386 L CB -0.744 41.212 42.059 -0.172 0.000 1.283 386 L HN 0.266 nan 8.230 nan 0.000 0.442 387 S N 0.548 116.147 115.700 -0.168 0.000 2.616 387 S HA 0.399 4.869 4.470 0.001 0.000 0.277 387 S C 0.323 174.920 174.600 -0.005 0.000 1.234 387 S CA -0.681 57.471 58.200 -0.080 0.000 1.028 387 S CB 1.192 64.352 63.200 -0.066 0.000 0.988 387 S HN 0.493 nan 8.310 nan 0.000 0.522 388 S N 2.908 118.633 115.700 0.042 0.000 2.411 388 S HA 0.416 4.887 4.470 0.001 0.000 0.304 388 S C 0.870 175.556 174.600 0.143 0.000 1.098 388 S CA -0.679 57.602 58.200 0.135 0.000 1.068 388 S CB -0.111 63.191 63.200 0.170 0.000 1.032 388 S HN 0.825 nan 8.310 nan 0.000 0.511 389 R N 4.053 124.645 120.500 0.154 0.000 2.416 389 R HA -0.047 4.293 4.340 0.001 0.000 0.278 389 R C -1.960 174.354 176.300 0.023 0.000 0.954 389 R CA 0.041 56.200 56.100 0.099 0.000 1.077 389 R CB -1.980 28.391 30.300 0.119 0.000 0.832 389 R HN 0.594 nan 8.270 nan 0.000 0.432 390 P HA 0.314 nan 4.420 nan 0.000 0.266 390 P C 0.201 177.455 177.300 -0.076 0.000 1.193 390 P CA 0.454 63.547 63.100 -0.012 0.000 0.770 390 P CB 0.148 31.858 31.700 0.017 0.000 0.836 391 V N 3.006 122.874 119.914 -0.075 0.000 2.673 391 V HA 0.235 4.356 4.120 0.001 0.000 0.303 391 V C 1.197 177.218 176.094 -0.122 0.000 1.046 391 V CA -0.063 62.163 62.300 -0.124 0.000 1.126 391 V CB -0.705 31.078 31.823 -0.066 0.000 0.934 391 V HN 0.637 nan 8.190 nan 0.000 0.487 392 V N 4.221 123.996 119.914 -0.231 0.000 2.539 392 V HA 0.453 4.573 4.120 0.001 0.000 0.300 392 V C 1.220 177.265 176.094 -0.081 0.000 1.019 392 V CA 1.222 63.384 62.300 -0.230 0.000 1.160 392 V CB -0.692 30.857 31.823 -0.457 0.000 0.901 392 V HN 1.426 nan 8.190 nan 0.000 0.481 393 K N 3.294 123.746 120.400 0.087 0.000 2.202 393 K HA 0.510 4.831 4.320 0.001 0.000 0.201 393 K C 1.099 177.931 176.600 0.387 0.000 1.051 393 K CA 1.339 57.763 56.287 0.228 0.000 0.977 393 K CB 0.263 32.837 32.500 0.123 0.000 0.792 393 K HN 1.595 nan 8.250 nan 0.000 0.469 394 S N -0.785 115.115 115.700 0.333 0.000 2.535 394 S HA 0.702 5.173 4.470 0.001 0.000 0.272 394 S C -1.683 173.077 174.600 0.268 0.000 1.149 394 S CA -0.638 57.767 58.200 0.342 0.000 0.888 394 S CB 0.942 64.233 63.200 0.151 0.000 1.110 394 S HN 0.317 nan 8.310 nan 0.000 0.463 395 M N 4.368 124.145 119.600 0.294 0.000 2.326 395 M HA 0.504 4.984 4.480 0.001 0.000 0.306 395 M C -0.789 175.575 176.300 0.107 0.000 1.054 395 M CA -0.339 55.074 55.300 0.188 0.000 0.922 395 M CB 2.180 34.922 32.600 0.237 0.000 1.632 395 M HN 0.758 nan 8.290 nan 0.000 0.436 396 M N 1.975 121.604 119.600 0.048 0.000 2.530 396 M HA 0.574 5.054 4.480 0.001 0.000 0.307 396 M C -1.367 174.888 176.300 -0.074 0.000 1.161 396 M CA -0.266 55.023 55.300 -0.019 0.000 0.903 396 M CB 2.332 34.913 32.600 -0.031 0.000 1.711 396 M HN 0.616 nan 8.290 nan 0.000 0.451 397 S N 4.397 119.979 115.700 -0.197 0.000 2.707 397 S HA 0.602 5.073 4.470 0.001 0.000 0.303 397 S C -1.552 172.580 174.600 -0.780 0.000 1.132 397 S CA -0.738 57.251 58.200 -0.350 0.000 1.046 397 S CB 0.683 63.723 63.200 -0.267 0.000 1.004 397 S HN 0.895 nan 8.310 nan 0.000 0.483 398 N N 2.584 120.908 118.700 -0.627 0.000 2.571 398 N HA 0.596 5.336 4.740 0.001 0.000 0.273 398 N C -1.696 173.596 175.510 -0.364 0.000 1.340 398 N CA -0.831 51.826 53.050 -0.654 0.000 0.789 398 N CB 1.832 40.137 38.487 -0.304 0.000 1.514 398 N HN 0.402 nan 8.380 nan 0.000 0.499 399 K N 0.317 120.595 120.400 -0.203 0.000 2.581 399 K HA 0.352 4.672 4.320 0.001 0.000 0.249 399 K C -1.806 174.686 176.600 -0.180 0.000 0.966 399 K CA -0.252 55.950 56.287 -0.142 0.000 0.811 399 K CB 0.758 33.124 32.500 -0.222 0.000 1.223 399 K HN 0.660 nan 8.250 nan 0.000 0.438 400 N N 4.390 123.006 118.700 -0.140 0.000 2.401 400 N HA 0.242 4.983 4.740 0.001 0.000 0.255 400 N C -0.722 174.685 175.510 -0.172 0.000 1.110 400 N CA -0.381 52.596 53.050 -0.122 0.000 0.949 400 N CB 0.509 38.953 38.487 -0.071 0.000 1.110 400 N HN 0.316 nan 8.380 nan 0.000 0.490 401 L N 2.075 123.185 121.223 -0.190 0.000 2.349 401 L HA 0.499 4.839 4.340 0.001 0.000 0.275 401 L C 1.086 177.888 176.870 -0.113 0.000 1.115 401 L CA -0.439 54.284 54.840 -0.196 0.000 0.820 401 L CB 0.452 42.387 42.059 -0.207 0.000 1.135 401 L HN 0.522 nan 8.230 nan 0.000 0.445 402 R N 2.195 122.642 120.500 -0.088 0.000 2.532 402 R HA 0.756 5.097 4.340 0.001 0.000 0.295 402 R C 0.674 176.957 176.300 -0.028 0.000 0.968 402 R CA -0.066 55.999 56.100 -0.058 0.000 0.916 402 R CB 0.786 31.045 30.300 -0.068 0.000 1.124 402 R HN 0.968 nan 8.270 nan 0.000 0.463 403 G N 1.408 110.194 108.800 -0.023 0.000 2.634 403 G HA2 -0.328 3.632 3.960 0.001 0.000 0.309 403 G HA3 -0.328 3.632 3.960 0.001 0.000 0.309 403 G C 0.563 175.462 174.900 -0.001 0.000 1.265 403 G CA 0.844 45.938 45.100 -0.010 0.000 0.998 403 G HN 0.798 nan 8.290 nan 0.000 0.551 404 K N 1.252 121.660 120.400 0.013 0.000 2.570 404 K HA 0.335 4.655 4.320 0.001 0.000 0.210 404 K C 2.265 178.898 176.600 0.056 0.000 1.048 404 K CA 0.740 57.043 56.287 0.027 0.000 1.167 404 K CB 0.358 32.867 32.500 0.016 0.000 0.892 404 K HN 0.558 nan 8.250 nan 0.000 0.480 405 S N -0.459 115.293 115.700 0.086 0.000 2.440 405 S HA -0.173 4.298 4.470 0.001 0.000 0.238 405 S C 1.196 175.973 174.600 0.296 0.000 1.010 405 S CA 0.443 58.758 58.200 0.191 0.000 0.972 405 S CB -0.240 63.128 63.200 0.281 0.000 0.774 405 S HN 0.406 nan 8.310 nan 0.000 0.501 406 C N 2.319 121.742 119.300 0.205 0.000 3.003 406 C HA 0.509 4.969 4.460 0.001 0.000 0.241 406 C C 0.670 175.747 174.990 0.146 0.000 1.224 406 C CA -1.012 58.139 59.018 0.221 0.000 1.560 406 C CB -1.587 26.271 27.740 0.197 0.000 1.768 406 C HN 0.677 nan 8.230 nan 0.000 0.440 407 N N 1.736 120.464 118.700 0.047 0.000 2.276 407 N HA 0.134 4.875 4.740 0.001 0.000 0.212 407 N C 0.139 175.460 175.510 -0.315 0.000 1.127 407 N CA 0.400 53.447 53.050 -0.006 0.000 0.834 407 N CB 0.179 38.659 38.487 -0.013 0.000 1.014 407 N HN 0.830 nan 8.380 nan 0.000 0.491 408 S N -1.502 113.815 115.700 -0.639 0.000 2.663 408 S HA 0.080 4.550 4.470 0.001 0.000 0.264 408 S C 0.404 174.531 174.600 -0.788 0.000 1.112 408 S CA -0.782 56.669 58.200 -1.249 0.000 0.823 408 S CB 0.301 63.171 63.200 -0.550 0.000 1.111 408 S HN -0.076 nan 8.310 nan 0.000 0.476 409 I N 1.430 121.690 120.570 -0.516 0.000 2.286 409 I HA -0.036 4.134 4.170 0.001 0.000 0.248 409 I C 2.329 178.407 176.117 -0.066 0.000 1.115 409 I CA 2.012 63.269 61.300 -0.071 0.000 1.392 409 I CB -0.378 37.626 38.000 0.008 0.000 1.065 409 I HN 0.693 nan 8.210 nan 0.000 0.418 410 V N 0.649 120.490 119.914 -0.120 0.000 2.343 410 V HA -0.287 3.833 4.120 0.001 0.000 0.247 410 V C 2.123 178.158 176.094 -0.098 0.000 1.051 410 V CA 2.592 64.834 62.300 -0.098 0.000 1.036 410 V CB -0.717 31.041 31.823 -0.108 0.000 0.654 410 V HN 0.448 nan 8.190 nan 0.000 0.451 411 D N -0.411 119.927 120.400 -0.103 0.000 2.117 411 D HA -0.158 4.482 4.640 0.001 0.000 0.197 411 D C 2.238 178.574 176.300 0.060 0.000 0.987 411 D CA 1.835 55.802 54.000 -0.055 0.000 0.829 411 D CB -0.463 40.337 40.800 0.000 0.000 0.961 411 D HN 0.586 nan 8.370 nan 0.000 0.460 412 C N 0.681 120.044 119.300 0.105 0.000 2.413 412 C HA -0.095 4.365 4.460 0.001 0.000 0.276 412 C C 2.894 177.929 174.990 0.075 0.000 1.236 412 C CA 0.093 59.211 59.018 0.168 0.000 1.735 412 C CB -0.987 26.877 27.740 0.206 0.000 2.031 412 C HN 0.339 nan 8.230 nan 0.000 0.474 413 I N 0.818 121.396 120.570 0.012 0.000 2.226 413 I HA -0.190 3.981 4.170 0.001 0.000 0.245 413 I C 2.523 178.574 176.117 -0.110 0.000 1.100 413 I CA 1.447 62.724 61.300 -0.038 0.000 1.374 413 I CB -0.522 37.451 38.000 -0.044 0.000 1.057 413 I HN 0.263 nan 8.210 nan 0.000 0.413 414 S N -0.247 115.355 115.700 -0.163 0.000 2.383 414 S HA -0.218 4.252 4.470 0.001 0.000 0.229 414 S C 1.604 175.959 174.600 -0.408 0.000 1.030 414 S CA 1.497 59.519 58.200 -0.298 0.000 1.002 414 S CB -0.374 62.593 63.200 -0.388 0.000 0.829 414 S HN 0.475 nan 8.310 nan 0.000 0.467 415 W N 1.447 122.549 121.300 -0.330 0.000 2.418 415 W HA 0.159 4.820 4.660 0.001 0.000 0.292 415 W C 1.863 177.827 176.519 -0.924 0.000 1.213 415 W CA 0.083 57.059 57.345 -0.615 0.000 1.283 415 W CB -0.286 28.810 29.460 -0.607 0.000 1.119 415 W HN 0.210 nan 8.180 nan 0.000 0.542 416 L N 0.166 121.194 121.223 -0.325 0.000 2.131 416 L HA -0.193 4.148 4.340 0.001 0.000 0.210 416 L C 2.077 178.863 176.870 -0.141 0.000 1.092 416 L CA 1.305 56.024 54.840 -0.201 0.000 0.759 416 L CB -0.735 41.307 42.059 -0.028 0.000 0.903 416 L HN 0.082 nan 8.230 nan 0.000 0.435 417 E N -0.301 119.798 120.200 -0.168 0.000 2.077 417 E HA -0.189 4.161 4.350 0.001 0.000 0.193 417 E C 2.282 178.797 176.600 -0.141 0.000 0.989 417 E CA 1.244 57.568 56.400 -0.127 0.000 0.800 417 E CB -0.057 29.562 29.700 -0.136 0.000 0.746 417 E HN 0.265 nan 8.360 nan 0.000 0.452 418 V N 0.949 120.725 119.914 -0.231 0.000 2.307 418 V HA -0.233 3.887 4.120 0.001 0.000 0.245 418 V C 2.000 177.965 176.094 -0.216 0.000 1.045 418 V CA 1.526 63.646 62.300 -0.301 0.000 1.024 418 V CB -0.504 31.193 31.823 -0.211 0.000 0.651 418 V HN 0.180 nan 8.190 nan 0.000 0.449 419 F N -0.413 119.474 119.950 -0.106 0.000 2.095 419 F HA -0.196 4.332 4.527 0.001 0.000 0.298 419 F C 2.708 178.460 175.800 -0.080 0.000 1.104 419 F CA 1.115 59.067 58.000 -0.080 0.000 1.232 419 F CB -1.743 37.259 39.000 0.003 0.000 0.987 419 F HN 0.227 nan 8.300 nan 0.000 0.475 420 C N 0.276 119.658 119.300 0.138 0.000 2.429 420 C HA -0.052 4.409 4.460 0.001 0.000 0.277 420 C C 3.082 178.109 174.990 0.062 0.000 1.262 420 C CA 1.188 60.255 59.018 0.082 0.000 1.733 420 C CB -1.510 26.255 27.740 0.041 0.000 2.010 420 C HN 0.452 nan 8.230 nan 0.000 0.483 421 A N -0.296 122.534 122.820 0.016 0.000 1.902 421 A HA -0.198 4.122 4.320 0.001 0.000 0.217 421 A C 2.185 179.846 177.584 0.129 0.000 1.181 421 A CA 1.881 53.971 52.037 0.088 0.000 0.623 421 A CB -0.826 18.257 19.000 0.138 0.000 0.818 421 A HN 0.800 nan 8.150 nan 0.000 0.443 422 E N 0.010 120.186 120.200 -0.041 0.000 2.017 422 E HA -0.186 4.164 4.350 0.001 0.000 0.193 422 E C 1.954 178.639 176.600 0.141 0.000 0.997 422 E CA 1.362 57.808 56.400 0.076 0.000 0.804 422 E CB -0.269 29.415 29.700 -0.027 0.000 0.757 422 E HN 0.592 nan 8.360 nan 0.000 0.448 423 L N 0.606 121.894 121.223 0.109 0.000 2.127 423 L HA -0.193 4.147 4.340 0.001 0.000 0.211 423 L C 2.685 179.638 176.870 0.139 0.000 1.089 423 L CA 1.524 56.437 54.840 0.122 0.000 0.757 423 L CB -0.521 41.607 42.059 0.116 0.000 0.899 423 L HN 0.241 nan 8.230 nan 0.000 0.434 424 T N -0.826 113.812 114.554 0.140 0.000 2.737 424 T HA -0.170 4.180 4.350 0.001 0.000 0.265 424 T C 2.149 176.943 174.700 0.157 0.000 1.038 424 T CA 1.666 63.852 62.100 0.143 0.000 1.144 424 T CB -0.211 68.737 68.868 0.134 0.000 0.866 424 T HN 0.579 nan 8.240 nan 0.000 0.434 425 S N 1.965 117.780 115.700 0.193 0.000 2.368 425 S HA -0.102 4.369 4.470 0.001 0.000 0.225 425 S C 2.054 176.753 174.600 0.165 0.000 1.030 425 S CA 0.761 59.084 58.200 0.205 0.000 0.999 425 S CB -0.410 62.962 63.200 0.287 0.000 0.844 425 S HN 0.430 nan 8.310 nan 0.000 0.459 426 R N 0.569 121.161 120.500 0.153 0.000 2.152 426 R HA 0.202 4.542 4.340 0.001 0.000 0.232 426 R C 2.195 178.550 176.300 0.092 0.000 1.117 426 R CA 1.440 57.612 56.100 0.121 0.000 0.981 426 R CB -0.472 29.896 30.300 0.112 0.000 0.870 426 R HN 0.480 nan 8.270 nan 0.000 0.451 427 I N 0.544 121.174 120.570 0.100 0.000 2.333 427 I HA -0.223 3.947 4.170 0.001 0.000 0.246 427 I C 2.125 178.291 176.117 0.082 0.000 1.106 427 I CA 1.173 62.519 61.300 0.077 0.000 1.411 427 I CB -0.125 37.946 38.000 0.118 0.000 1.082 427 I HN 0.202 nan 8.210 nan 0.000 0.420 428 Q N 0.417 120.280 119.800 0.106 0.000 2.170 428 Q HA -0.208 4.132 4.340 0.001 0.000 0.203 428 Q C 1.553 177.619 176.000 0.110 0.000 0.976 428 Q CA 1.254 57.121 55.803 0.107 0.000 0.858 428 Q CB -0.044 28.764 28.738 0.117 0.000 0.907 428 Q HN 0.471 nan 8.270 nan 0.000 0.433 429 D N 0.687 121.157 120.400 0.115 0.000 2.097 429 D HA -0.091 4.549 4.640 0.001 0.000 0.197 429 D C 1.898 178.284 176.300 0.143 0.000 0.984 429 D CA 0.860 54.937 54.000 0.127 0.000 0.826 429 D CB -0.072 40.806 40.800 0.130 0.000 0.973 429 D HN 0.201 nan 8.370 nan 0.000 0.460 430 L N 0.887 122.173 121.223 0.105 0.000 2.131 430 L HA -0.133 4.207 4.340 0.001 0.000 0.210 430 L C 2.271 179.216 176.870 0.125 0.000 1.092 430 L CA 0.984 55.876 54.840 0.085 0.000 0.759 430 L CB -0.242 41.771 42.059 -0.077 0.000 0.903 430 L HN 0.040 nan 8.230 nan 0.000 0.435 431 E N -0.432 119.827 120.200 0.098 0.000 2.028 431 E HA -0.265 4.085 4.350 0.001 0.000 0.191 431 E C 2.086 178.763 176.600 0.128 0.000 0.988 431 E CA 1.081 57.542 56.400 0.101 0.000 0.799 431 E CB -0.005 29.746 29.700 0.086 0.000 0.755 431 E HN 0.319 nan 8.360 nan 0.000 0.447 432 Q N 1.415 121.288 119.800 0.123 0.000 1.990 432 Q HA -0.181 4.160 4.340 0.001 0.000 0.200 432 Q C 1.721 177.785 176.000 0.108 0.000 0.980 432 Q CA 1.802 57.668 55.803 0.105 0.000 0.832 432 Q CB -0.073 28.721 28.738 0.094 0.000 0.897 432 Q HN 0.206 nan 8.270 nan 0.000 0.427 433 E N -1.301 118.982 120.200 0.139 0.000 2.187 433 E HA -0.221 4.129 4.350 0.001 0.000 0.199 433 E C 0.587 177.128 176.600 -0.099 0.000 1.004 433 E CA 1.375 57.811 56.400 0.060 0.000 0.813 433 E CB -0.078 29.730 29.700 0.179 0.000 0.736 433 E HN 0.476 nan 8.360 nan 0.000 0.468 434 Y N -0.896 119.421 120.300 0.028 0.000 2.641 434 Y HA 0.215 4.766 4.550 0.000 0.000 0.248 434 Y C -0.074 175.839 175.900 0.023 0.000 1.170 434 Y CA -0.774 57.339 58.100 0.022 0.000 1.201 434 Y CB 0.019 38.487 38.460 0.012 0.000 1.232 434 Y HN -0.112 nan 8.280 nan 0.000 0.537 435 N N 1.756 120.543 118.700 0.145 0.000 2.650 435 N HA -0.219 4.521 4.740 0.001 0.000 0.272 435 N C -0.714 174.856 175.510 0.099 0.000 1.058 435 N CA 1.415 54.524 53.050 0.099 0.000 0.765 435 N CB -0.600 37.927 38.487 0.067 0.000 0.902 435 N HN 0.504 nan 8.380 nan 0.000 0.551 436 K N 1.411 121.871 120.400 0.099 0.000 2.557 436 K HA 0.559 4.879 4.320 0.001 0.000 0.257 436 K C -0.656 175.982 176.600 0.064 0.000 0.933 436 K CA -0.562 55.770 56.287 0.075 0.000 0.820 436 K CB 0.944 33.485 32.500 0.069 0.000 1.330 436 K HN 0.245 nan 8.250 nan 0.000 0.432 437 I N 2.947 123.553 120.570 0.061 0.000 2.396 437 I HA 0.245 4.415 4.170 0.001 0.000 0.289 437 I C -0.020 176.137 176.117 0.068 0.000 1.056 437 I CA -0.927 60.413 61.300 0.066 0.000 1.365 437 I CB 0.810 38.850 38.000 0.066 0.000 1.407 437 I HN 0.388 nan 8.210 nan 0.000 0.509 438 V N 7.398 127.356 119.914 0.073 0.000 2.328 438 V HA 0.481 4.602 4.120 0.001 0.000 0.278 438 V C 0.599 176.796 176.094 0.172 0.000 1.021 438 V CA -0.585 61.770 62.300 0.090 0.000 0.838 438 V CB 1.283 33.103 31.823 -0.005 0.000 0.999 438 V HN 0.553 nan 8.190 nan 0.000 0.447 439 I N 6.485 127.176 120.570 0.202 0.000 2.382 439 I HA 0.814 4.984 4.170 0.001 0.000 0.286 439 I C -2.467 173.776 176.117 0.209 0.000 1.002 439 I CA -2.546 58.866 61.300 0.187 0.000 1.135 439 I CB 1.584 39.655 38.000 0.117 0.000 1.288 439 I HN 0.507 nan 8.210 nan 0.000 0.448 440 P HA 0.574 nan 4.420 nan 0.000 0.285 440 P C 0.292 177.544 177.300 -0.080 0.000 1.259 440 P CA 0.209 63.250 63.100 -0.098 0.000 0.794 440 P CB 1.508 33.121 31.700 -0.144 0.000 0.940 441 R N 1.262 121.684 120.500 -0.129 0.000 2.316 441 R HA 0.396 4.736 4.340 0.001 0.000 0.201 441 R C 1.400 177.662 176.300 -0.064 0.000 0.888 441 R CA 1.488 57.551 56.100 -0.061 0.000 1.041 441 R CB -1.064 29.216 30.300 -0.032 0.000 1.115 441 R HN 0.693 nan 8.270 nan 0.000 0.559 442 T N 0.229 114.715 114.554 -0.114 0.000 2.797 442 T HA 0.649 4.999 4.350 0.001 0.000 0.279 442 T C -0.721 173.934 174.700 -0.075 0.000 0.991 442 T CA -0.648 61.413 62.100 -0.064 0.000 0.979 442 T CB 1.462 70.294 68.868 -0.059 0.000 0.943 442 T HN 0.195 nan 8.240 nan 0.000 0.444 443 V N 2.374 122.285 119.914 -0.005 0.000 2.531 443 V HA 0.766 4.887 4.120 0.001 0.000 0.301 443 V C 0.109 176.276 176.094 0.121 0.000 1.034 443 V CA -0.936 61.361 62.300 -0.005 0.000 0.865 443 V CB 1.603 33.366 31.823 -0.101 0.000 0.995 443 V HN 0.927 nan 8.190 nan 0.000 0.424 444 S N 5.469 121.231 115.700 0.104 0.000 2.552 444 S HA 0.708 5.178 4.470 0.001 0.000 0.314 444 S C -0.898 173.797 174.600 0.159 0.000 1.099 444 S CA -0.492 57.806 58.200 0.164 0.000 1.070 444 S CB 0.705 63.960 63.200 0.091 0.000 0.998 444 S HN 0.592 nan 8.310 nan 0.000 0.474 445 I N 3.938 124.656 120.570 0.246 0.000 2.355 445 I HA 0.365 4.535 4.170 0.001 0.000 0.288 445 I C 0.109 176.325 176.117 0.165 0.000 0.999 445 I CA -0.306 61.120 61.300 0.210 0.000 1.163 445 I CB 1.734 39.904 38.000 0.284 0.000 1.316 445 I HN 0.551 nan 8.210 nan 0.000 0.454 446 S N 7.136 122.905 115.700 0.114 0.000 2.607 446 S HA 0.927 5.397 4.470 0.001 0.000 0.303 446 S C -0.893 173.755 174.600 0.080 0.000 1.086 446 S CA -0.515 57.739 58.200 0.091 0.000 0.995 446 S CB 1.428 64.659 63.200 0.053 0.000 1.084 446 S HN 0.440 nan 8.310 nan 0.000 0.507 447 L N 0.457 121.725 121.223 0.076 0.000 2.710 447 L HA 0.706 5.046 4.340 0.001 0.000 0.260 447 L C -1.334 175.540 176.870 0.007 0.000 0.993 447 L CA -0.794 54.060 54.840 0.024 0.000 0.877 447 L CB 1.582 43.640 42.059 -0.002 0.000 1.461 447 L HN 0.541 nan 8.230 nan 0.000 0.413 448 K N 0.826 121.190 120.400 -0.061 0.000 2.323 448 K HA 0.660 4.980 4.320 0.001 0.000 0.259 448 K C -0.394 176.084 176.600 -0.203 0.000 0.947 448 K CA -0.363 55.883 56.287 -0.069 0.000 0.819 448 K CB 1.838 34.318 32.500 -0.034 0.000 1.109 448 K HN 0.999 nan 8.250 nan 0.000 0.429 449 T N -0.834 113.578 114.554 -0.237 0.000 2.770 449 T HA 0.119 4.469 4.350 0.001 0.000 0.281 449 T C 1.298 175.779 174.700 -0.366 0.000 0.981 449 T CA -0.414 61.447 62.100 -0.398 0.000 0.955 449 T CB 1.002 69.646 68.868 -0.373 0.000 1.060 449 T HN 0.630 nan 8.240 nan 0.000 0.531 450 K N 0.082 120.278 120.400 -0.340 0.000 2.152 450 K HA -0.110 4.210 4.320 0.001 0.000 0.206 450 K C 1.865 178.180 176.600 -0.476 0.000 1.048 450 K CA 1.537 57.613 56.287 -0.352 0.000 0.933 450 K CB -0.462 31.927 32.500 -0.186 0.000 0.721 450 K HN 0.714 nan 8.250 nan 0.000 0.447 451 S N -0.735 114.805 115.700 -0.268 0.000 2.679 451 S HA 0.023 4.493 4.470 0.001 0.000 0.233 451 S C -0.224 174.413 174.600 0.063 0.000 0.951 451 S CA -0.452 57.698 58.200 -0.084 0.000 0.973 451 S CB -0.598 62.623 63.200 0.036 0.000 0.778 451 S HN 0.417 nan 8.310 nan 0.000 0.477 452 Y N -1.100 119.189 120.300 -0.018 0.000 4.079 452 Y HA -0.248 4.302 4.550 0.001 0.000 0.223 452 Y C 0.763 176.660 175.900 -0.006 0.000 1.155 452 Y CA 0.625 58.714 58.100 -0.018 0.000 1.805 452 Y CB -2.646 35.804 38.460 -0.017 0.000 1.571 452 Y HN 0.716 nan 8.280 nan 0.000 0.654 453 E N 0.184 120.442 120.200 0.098 0.000 2.301 453 E HA 0.676 5.026 4.350 0.001 0.000 0.275 453 E C -0.159 176.500 176.600 0.099 0.000 1.030 453 E CA -0.155 56.299 56.400 0.090 0.000 0.852 453 E CB 1.730 31.514 29.700 0.140 0.000 1.060 453 E HN 0.273 nan 8.360 nan 0.000 0.401 454 V N 3.018 122.937 119.914 0.008 0.000 2.370 454 V HA 0.421 4.541 4.120 0.001 0.000 0.279 454 V C -1.152 174.912 176.094 -0.050 0.000 1.029 454 V CA -0.605 61.710 62.300 0.026 0.000 0.870 454 V CB -0.044 31.778 31.823 -0.003 0.000 0.984 454 V HN 0.751 nan 8.190 nan 0.000 0.451 455 Y N 3.432 123.726 120.300 -0.011 0.000 2.377 455 Y HA 0.824 5.375 4.550 0.001 0.000 0.339 455 Y C 0.510 176.419 175.900 0.016 0.000 1.011 455 Y CA -0.517 57.592 58.100 0.016 0.000 1.093 455 Y CB 1.718 40.214 38.460 0.059 0.000 1.201 455 Y HN 0.668 nan 8.280 nan 0.000 0.455 456 R N 2.174 122.750 120.500 0.125 0.000 2.651 456 R HA 0.815 5.156 4.340 0.001 0.000 0.278 456 R C -1.681 174.641 176.300 0.037 0.000 1.010 456 R CA -1.260 54.889 56.100 0.082 0.000 0.896 456 R CB 1.867 32.191 30.300 0.040 0.000 1.211 456 R HN 0.700 nan 8.270 nan 0.000 0.456 457 K N 1.565 121.983 120.400 0.030 0.000 2.601 457 K HA 0.466 4.787 4.320 0.001 0.000 0.249 457 K C -1.181 175.382 176.600 -0.062 0.000 0.966 457 K CA -0.293 55.912 56.287 -0.137 0.000 0.827 457 K CB 2.058 34.365 32.500 -0.322 0.000 1.178 457 K HN 0.670 nan 8.250 nan 0.000 0.437 458 S N 1.918 117.584 115.700 -0.055 0.000 2.638 458 S HA 0.948 5.419 4.470 0.001 0.000 0.298 458 S C -0.619 174.093 174.600 0.187 0.000 1.111 458 S CA -0.085 58.208 58.200 0.156 0.000 1.027 458 S CB 1.525 64.774 63.200 0.081 0.000 1.064 458 S HN 0.850 nan 8.310 nan 0.000 0.525 459 G N 2.213 111.265 108.800 0.419 0.000 2.387 459 G HA2 0.464 4.425 3.960 0.001 0.000 0.294 459 G HA3 0.464 4.425 3.960 0.001 0.000 0.294 459 G C -3.609 171.445 174.900 0.257 0.000 1.509 459 G CA -0.827 44.514 45.100 0.400 0.000 0.806 459 G HN 0.540 nan 8.290 nan 0.000 0.546 460 P HA 0.413 nan 4.420 nan 0.000 0.271 460 P C -0.372 176.952 177.300 0.041 0.000 1.218 460 P CA -0.357 62.788 63.100 0.075 0.000 0.780 460 P CB 1.638 33.376 31.700 0.064 0.000 0.901 461 V N 1.969 121.886 119.914 0.005 0.000 2.769 461 V HA 0.768 4.888 4.120 0.001 0.000 0.312 461 V C -0.169 175.934 176.094 0.015 0.000 1.061 461 V CA -0.749 61.544 62.300 -0.011 0.000 0.931 461 V CB 1.587 33.389 31.823 -0.035 0.000 1.010 461 V HN 0.703 nan 8.190 nan 0.000 0.433 462 A N 4.303 127.140 122.820 0.029 0.000 2.301 462 A HA 0.870 5.190 4.320 0.001 0.000 0.287 462 A C -0.351 177.263 177.584 0.049 0.000 1.274 462 A CA 0.330 52.389 52.037 0.037 0.000 0.865 462 A CB 0.615 19.640 19.000 0.042 0.000 1.324 462 A HN 2.309 nan 8.150 nan 0.000 0.508 463 Y N -2.012 118.306 120.300 0.030 0.000 2.532 463 Y HA 0.566 5.116 4.550 0.001 0.000 0.318 463 Y C 0.614 176.472 175.900 -0.070 0.000 1.138 463 Y CA 0.196 58.306 58.100 0.018 0.000 1.306 463 Y CB -0.605 37.866 38.460 0.019 0.000 1.106 463 Y HN 1.351 nan 8.280 nan 0.000 0.588 464 K N 0.800 121.132 120.400 -0.114 0.000 2.743 464 K HA 0.536 4.856 4.320 0.001 0.000 0.219 464 K C 1.144 177.377 176.600 -0.612 0.000 1.003 464 K CA 0.810 56.934 56.287 -0.271 0.000 1.156 464 K CB -0.624 31.761 32.500 -0.191 0.000 0.932 464 K HN 2.648 nan 8.250 nan 0.000 0.490 465 G N -2.296 106.214 108.800 -0.483 0.000 2.369 465 G HA2 0.459 4.419 3.960 0.001 0.000 0.293 465 G HA3 0.459 4.419 3.960 0.001 0.000 0.293 465 G C 0.150 174.919 174.900 -0.219 0.000 1.301 465 G CA -0.263 44.540 45.100 -0.495 0.000 0.913 465 G HN 1.124 nan 8.290 nan 0.000 0.540 466 I N -0.034 120.488 120.570 -0.079 0.000 3.466 466 I HA 0.447 4.617 4.170 0.001 0.000 0.272 466 I C 1.311 177.579 176.117 0.251 0.000 1.305 466 I CA 0.457 61.804 61.300 0.079 0.000 1.307 466 I CB -0.330 37.722 38.000 0.088 0.000 1.365 466 I HN 0.911 nan 8.210 nan 0.000 0.629 467 N N 1.082 119.909 118.700 0.212 0.000 1.754 467 N HA -0.142 4.599 4.740 0.001 0.000 0.295 467 N C -0.292 175.440 175.510 0.371 0.000 1.315 467 N CA 1.215 54.404 53.050 0.231 0.000 0.950 467 N CB -0.335 38.246 38.487 0.156 0.000 1.311 467 N HN 0.674 nan 8.380 nan 0.000 0.479 468 F N 0.803 120.789 119.950 0.060 0.000 2.831 468 F HA 0.056 4.584 4.527 0.000 0.000 0.334 468 F C 2.153 178.007 175.800 0.091 0.000 1.071 468 F CA 0.658 58.697 58.000 0.065 0.000 1.172 468 F CB -0.452 38.574 39.000 0.043 0.000 1.054 468 F HN 0.484 nan 8.300 nan 0.000 0.572 469 Q N 0.397 120.338 119.800 0.235 0.000 2.167 469 Q HA -0.390 3.950 4.340 0.001 0.000 0.218 469 Q C 2.316 178.391 176.000 0.126 0.000 1.033 469 Q CA 2.996 58.897 55.803 0.163 0.000 0.918 469 Q CB -1.820 27.005 28.738 0.146 0.000 1.019 469 Q HN 0.388 nan 8.270 nan 0.000 0.417 470 S N -0.782 114.977 115.700 0.098 0.000 2.414 470 S HA -0.292 4.178 4.470 0.001 0.000 0.225 470 S C 1.972 176.606 174.600 0.057 0.000 1.041 470 S CA 1.816 60.055 58.200 0.065 0.000 1.114 470 S CB -0.618 62.606 63.200 0.040 0.000 1.064 470 S HN 0.885 nan 8.310 nan 0.000 0.420 471 H N 1.020 120.062 119.070 -0.047 0.000 2.352 471 H HA -0.065 4.491 4.556 0.000 0.000 0.299 471 H C 2.166 177.507 175.328 0.022 0.000 1.097 471 H CA 2.054 58.079 56.048 -0.038 0.000 1.311 471 H CB -0.375 29.320 29.762 -0.112 0.000 1.377 471 H HN 0.421 nan 8.280 nan 0.000 0.504 472 E N 0.888 121.247 120.200 0.265 0.000 2.031 472 E HA -0.135 4.215 4.350 0.001 0.000 0.193 472 E C 2.842 179.466 176.600 0.041 0.000 0.994 472 E CA 0.458 56.975 56.400 0.195 0.000 0.800 472 E CB -0.606 29.216 29.700 0.205 0.000 0.752 472 E HN 0.461 nan 8.360 nan 0.000 0.447 473 L N 0.435 121.676 121.223 0.029 0.000 1.989 473 L HA -0.265 4.075 4.340 0.001 0.000 0.211 473 L C 3.051 179.879 176.870 -0.071 0.000 1.071 473 L CA 1.663 56.490 54.840 -0.022 0.000 0.749 473 L CB -1.051 41.017 42.059 0.015 0.000 0.890 473 L HN 0.192 nan 8.230 nan 0.000 0.431 474 L N -0.273 120.907 121.223 -0.072 0.000 1.997 474 L HA -0.305 4.035 4.340 0.001 0.000 0.216 474 L C 2.995 179.783 176.870 -0.137 0.000 1.074 474 L CA 3.528 58.305 54.840 -0.105 0.000 0.763 474 L CB -2.261 39.714 42.059 -0.140 0.000 0.890 474 L HN 0.437 nan 8.230 nan 0.000 0.434 475 K N -0.966 119.329 120.400 -0.175 0.000 2.044 475 K HA -0.079 4.242 4.320 0.001 0.000 0.210 475 K C 2.305 178.831 176.600 -0.122 0.000 1.049 475 K CA 1.893 58.096 56.287 -0.141 0.000 0.927 475 K CB -1.570 30.867 32.500 -0.104 0.000 0.713 475 K HN 0.612 nan 8.250 nan 0.000 0.443 476 V N 0.612 120.422 119.914 -0.174 0.000 2.427 476 V HA -0.086 4.035 4.120 0.001 0.000 0.248 476 V C 2.785 178.563 176.094 -0.527 0.000 1.051 476 V CA 1.731 63.820 62.300 -0.351 0.000 1.048 476 V CB -0.659 30.917 31.823 -0.411 0.000 0.666 476 V HN 0.719 nan 8.190 nan 0.000 0.456 477 G N -0.108 108.503 108.800 -0.315 0.000 2.402 477 G HA2 -0.182 3.778 3.960 0.001 0.000 0.216 477 G HA3 -0.182 3.778 3.960 0.001 0.000 0.216 477 G C 1.563 176.437 174.900 -0.043 0.000 1.162 477 G CA 0.782 45.769 45.100 -0.187 0.000 0.777 477 G HN 0.480 nan 8.290 nan 0.000 0.539 478 I N 1.366 121.910 120.570 -0.043 0.000 2.361 478 I HA -0.099 4.071 4.170 0.001 0.000 0.251 478 I C 3.372 179.527 176.117 0.062 0.000 1.133 478 I CA 1.498 62.804 61.300 0.010 0.000 1.413 478 I CB -0.206 37.779 38.000 -0.024 0.000 1.073 478 I HN 0.310 nan 8.210 nan 0.000 0.424 479 K N 0.831 121.267 120.400 0.061 0.000 2.057 479 K HA -0.158 4.163 4.320 0.001 0.000 0.206 479 K C 1.743 178.543 176.600 0.333 0.000 1.050 479 K CA 1.418 57.804 56.287 0.165 0.000 0.935 479 K CB -1.196 31.407 32.500 0.170 0.000 0.715 479 K HN 0.115 nan 8.250 nan 0.000 0.439 480 F N 0.418 120.393 119.950 0.043 0.000 2.146 480 F HA -0.016 4.511 4.527 0.000 0.000 0.298 480 F C 2.400 178.239 175.800 0.065 0.000 1.096 480 F CA 0.296 58.328 58.000 0.053 0.000 1.275 480 F CB -0.908 38.127 39.000 0.058 0.000 1.008 480 F HN 0.006 nan 8.300 nan 0.000 0.480 481 V N -0.587 119.492 119.914 0.275 0.000 2.626 481 V HA -0.232 3.889 4.120 0.001 0.000 0.252 481 V C 2.063 178.253 176.094 0.159 0.000 1.067 481 V CA 2.297 64.718 62.300 0.201 0.000 1.081 481 V CB -0.519 31.407 31.823 0.171 0.000 0.686 481 V HN 0.382 nan 8.190 nan 0.000 0.468 482 T N -0.569 114.067 114.554 0.136 0.000 2.894 482 T HA -0.044 4.307 4.350 0.001 0.000 0.258 482 T C 1.807 176.542 174.700 0.058 0.000 1.043 482 T CA 1.430 63.584 62.100 0.090 0.000 1.141 482 T CB -0.527 68.385 68.868 0.074 0.000 0.873 482 T HN 0.784 nan 8.240 nan 0.000 0.449 483 D N 1.515 121.963 120.400 0.081 0.000 2.144 483 D HA 0.007 4.647 4.640 0.001 0.000 0.199 483 D C 2.119 178.424 176.300 0.008 0.000 0.984 483 D CA 1.034 55.057 54.000 0.038 0.000 0.834 483 D CB -0.756 40.062 40.800 0.031 0.000 0.955 483 D HN 0.377 nan 8.370 nan 0.000 0.465 484 L N -0.225 121.018 121.223 0.034 0.000 2.179 484 L HA 0.043 4.384 4.340 0.001 0.000 0.208 484 L C 2.513 179.265 176.870 -0.197 0.000 1.096 484 L CA 1.417 56.264 54.840 0.012 0.000 0.779 484 L CB -0.333 41.791 42.059 0.108 0.000 0.922 484 L HN 0.250 nan 8.230 nan 0.000 0.443 485 D N 0.970 121.272 120.400 -0.164 0.000 2.123 485 D HA -0.224 4.416 4.640 0.001 0.000 0.196 485 D C 2.117 178.162 176.300 -0.426 0.000 0.992 485 D CA 1.499 55.276 54.000 -0.372 0.000 0.833 485 D CB 0.040 40.823 40.800 -0.027 0.000 0.954 485 D HN 0.283 nan 8.370 nan 0.000 0.455 486 I N -0.354 120.094 120.570 -0.203 0.000 2.439 486 I HA -0.110 4.060 4.170 0.001 0.000 0.251 486 I C 2.755 178.782 176.117 -0.149 0.000 1.139 486 I CA 1.189 62.401 61.300 -0.148 0.000 1.438 486 I CB -0.427 37.534 38.000 -0.065 0.000 1.085 486 I HN 0.107 nan 8.210 nan 0.000 0.427 487 K N 1.025 121.350 120.400 -0.124 0.000 2.209 487 K HA -0.001 4.320 4.320 0.001 0.000 0.204 487 K C 1.690 178.271 176.600 -0.030 0.000 1.048 487 K CA 1.463 57.740 56.287 -0.018 0.000 0.940 487 K CB -1.184 31.385 32.500 0.115 0.000 0.729 487 K HN 0.536 nan 8.250 nan 0.000 0.451 488 G N -0.534 108.076 108.800 -0.316 0.000 3.936 488 G HA2 0.378 4.338 3.960 0.001 0.000 0.296 488 G HA3 0.378 4.338 3.960 0.001 0.000 0.296 488 G C 1.339 176.001 174.900 -0.395 0.000 1.121 488 G CA 0.796 45.684 45.100 -0.352 0.000 0.899 488 G HN 0.653 nan 8.290 nan 0.000 0.542 489 K N -0.404 119.845 120.400 -0.251 0.000 2.103 489 K HA -0.021 4.300 4.320 0.001 0.000 0.207 489 K C 1.237 177.783 176.600 -0.089 0.000 1.048 489 K CA 1.478 57.664 56.287 -0.170 0.000 0.930 489 K CB -1.062 31.377 32.500 -0.102 0.000 0.716 489 K HN 0.731 nan 8.250 nan 0.000 0.444 490 N N 0.422 119.093 118.700 -0.049 0.000 3.044 490 N HA 0.545 5.285 4.740 0.001 0.000 0.254 490 N C -0.274 175.247 175.510 0.019 0.000 1.253 490 N CA 0.421 53.466 53.050 -0.009 0.000 0.944 490 N CB 0.301 38.788 38.487 -0.001 0.000 1.217 490 N HN 1.007 nan 8.380 nan 0.000 0.498 491 K N -0.568 119.849 120.400 0.029 0.000 2.703 491 K HA 0.662 4.982 4.320 0.001 0.000 0.285 491 K C -0.559 176.088 176.600 0.079 0.000 1.014 491 K CA -0.420 55.908 56.287 0.068 0.000 0.858 491 K CB 0.123 32.695 32.500 0.119 0.000 1.467 491 K HN 0.564 nan 8.250 nan 0.000 0.383 492 S N 1.760 117.502 115.700 0.070 0.000 2.670 492 S HA 0.241 4.711 4.470 0.001 0.000 0.328 492 S C 0.325 174.954 174.600 0.047 0.000 1.179 492 S CA -0.035 58.196 58.200 0.051 0.000 1.194 492 S CB -0.820 62.395 63.200 0.025 0.000 1.359 492 S HN 0.601 nan 8.310 nan 0.000 0.555 493 Y N 2.879 123.105 120.300 -0.123 0.000 2.347 493 Y HA 0.132 4.682 4.550 0.001 0.000 0.274 493 Y C 1.570 177.291 175.900 -0.299 0.000 1.124 493 Y CA 0.619 58.559 58.100 -0.266 0.000 1.208 493 Y CB -0.466 37.741 38.460 -0.421 0.000 1.142 493 Y HN 0.587 nan 8.280 nan 0.000 0.506 494 Y N 0.859 121.266 120.300 0.177 0.000 2.241 494 Y HA -0.143 4.408 4.550 0.001 0.000 0.286 494 Y C -1.498 174.373 175.900 -0.050 0.000 1.166 494 Y CA 0.666 58.805 58.100 0.065 0.000 1.203 494 Y CB -1.350 37.183 38.460 0.122 0.000 0.977 494 Y HN 0.114 nan 8.280 nan 0.000 0.529 495 P HA 0.021 nan 4.420 nan 0.000 0.268 495 P C -0.749 176.506 177.300 -0.075 0.000 1.485 495 P CA 0.428 63.545 63.100 0.029 0.000 1.102 495 P CB -0.025 31.670 31.700 -0.008 0.000 1.501 496 L N 2.402 123.593 121.223 -0.054 0.000 2.439 496 L HA 0.126 4.466 4.340 0.001 0.000 0.269 496 L C 1.731 178.516 176.870 -0.141 0.000 1.179 496 L CA 0.337 55.083 54.840 -0.158 0.000 0.828 496 L CB 0.576 42.562 42.059 -0.122 0.000 1.106 496 L HN 0.328 nan 8.230 nan 0.000 0.467 497 T N -2.254 112.197 114.554 -0.173 0.000 3.015 497 T HA 0.237 4.587 4.350 0.001 0.000 0.250 497 T C 0.431 175.062 174.700 -0.114 0.000 1.057 497 T CA 0.423 62.441 62.100 -0.137 0.000 1.066 497 T CB 0.272 69.052 68.868 -0.146 0.000 0.959 497 T HN 0.588 nan 8.240 nan 0.000 0.488 498 K N 0.286 120.617 120.400 -0.114 0.000 2.546 498 K HA 0.810 5.131 4.320 0.001 0.000 0.264 498 K C -2.062 174.498 176.600 -0.067 0.000 0.937 498 K CA -0.953 55.279 56.287 -0.093 0.000 0.833 498 K CB 1.614 34.079 32.500 -0.058 0.000 1.378 498 K HN 0.317 nan 8.250 nan 0.000 0.432 499 L N 0.901 122.103 121.223 -0.035 0.000 2.526 499 L HA 0.819 5.159 4.340 0.001 0.000 0.263 499 L C -0.748 176.167 176.870 0.076 0.000 0.943 499 L CA 0.209 55.093 54.840 0.074 0.000 0.859 499 L CB 2.361 44.505 42.059 0.141 0.000 1.313 499 L HN 1.254 nan 8.230 nan 0.000 0.406 500 S N 4.287 120.015 115.700 0.047 0.000 2.541 500 S HA 0.767 5.238 4.470 0.001 0.000 0.271 500 S C -0.993 173.589 174.600 -0.031 0.000 1.133 500 S CA -0.790 57.316 58.200 -0.156 0.000 0.876 500 S CB 1.668 64.775 63.200 -0.154 0.000 1.105 500 S HN 0.868 nan 8.310 nan 0.000 0.470 501 M N 2.508 122.034 119.600 -0.124 0.000 2.190 501 M HA 0.516 4.997 4.480 0.001 0.000 0.312 501 M C -1.578 174.706 176.300 -0.027 0.000 0.990 501 M CA 0.005 55.317 55.300 0.020 0.000 0.927 501 M CB 1.698 34.375 32.600 0.129 0.000 1.571 501 M HN 0.858 nan 8.290 nan 0.000 0.427 502 T N 6.401 120.960 114.554 0.009 0.000 2.824 502 T HA 0.634 4.985 4.350 0.001 0.000 0.282 502 T C -0.524 174.175 174.700 -0.001 0.000 0.993 502 T CA -0.600 61.504 62.100 0.006 0.000 0.967 502 T CB 1.071 69.944 68.868 0.008 0.000 0.960 502 T HN 0.684 nan 8.240 nan 0.000 0.441 503 I N 1.034 121.598 120.570 -0.009 0.000 2.474 503 I HA 0.867 5.037 4.170 0.001 0.000 0.294 503 I C 0.157 176.097 176.117 -0.294 0.000 1.005 503 I CA -0.744 60.483 61.300 -0.122 0.000 1.113 503 I CB 2.056 40.009 38.000 -0.080 0.000 1.289 503 I HN 0.691 nan 8.210 nan 0.000 0.436 504 T N 0.205 114.485 114.554 -0.456 0.000 2.590 504 T HA 0.377 4.727 4.350 0.001 0.000 0.282 504 T C 0.144 174.486 174.700 -0.597 0.000 0.989 504 T CA -0.791 60.999 62.100 -0.515 0.000 1.091 504 T CB 0.878 69.646 68.868 -0.167 0.000 1.460 504 T HN 0.886 nan 8.240 nan 0.000 0.499 505 N N 0.556 119.078 118.700 -0.297 0.000 2.671 505 N HA -0.157 4.584 4.740 0.001 0.000 0.261 505 N C -1.469 173.924 175.510 -0.195 0.000 1.053 505 N CA 0.083 53.036 53.050 -0.162 0.000 0.732 505 N CB -1.381 37.036 38.487 -0.116 0.000 0.887 505 N HN 0.551 nan 8.380 nan 0.000 0.546 506 F N 0.709 120.671 119.950 0.021 0.000 2.427 506 F HA 0.312 4.839 4.527 0.000 0.000 0.352 506 F C 1.313 177.124 175.800 0.019 0.000 1.100 506 F CA 0.313 58.325 58.000 0.020 0.000 1.191 506 F CB 0.661 39.669 39.000 0.013 0.000 1.128 506 F HN 0.259 nan 8.300 nan 0.000 0.533 507 D N 3.226 123.759 120.400 0.222 0.000 2.460 507 D HA 0.650 5.290 4.640 0.001 0.000 0.232 507 D C -0.175 176.200 176.300 0.126 0.000 1.079 507 D CA -0.468 53.612 54.000 0.133 0.000 0.864 507 D CB 0.553 41.406 40.800 0.089 0.000 1.048 507 D HN 0.756 nan 8.370 nan 0.000 0.523 508 I N 0.655 121.283 120.570 0.097 0.000 2.301 508 I HA 0.762 4.933 4.170 0.001 0.000 0.292 508 I C 0.773 176.922 176.117 0.053 0.000 1.046 508 I CA -0.584 60.754 61.300 0.064 0.000 1.282 508 I CB -0.084 37.935 38.000 0.032 0.000 1.409 508 I HN 1.013 nan 8.210 nan 0.000 0.484 509 I N 0.000 120.602 120.570 0.054 0.000 2.984 509 I HA 0.000 4.170 4.170 0.001 0.000 0.288 509 I CA 0.000 61.328 61.300 0.047 0.000 1.566 509 I CB 0.000 38.028 38.000 0.047 0.000 1.214 509 I HN 0.000 nan 8.210 nan 0.000 0.494