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 2jkv_1_B DATA FIRST_RESID 2 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VVGAQSLKEM VSKLKKPRRI ILLVKAGQAV DDFIEKLVPL LDTGDIIIDG DATA SEQUENCE GNSEYRDTTR RCRDLKAKGI LFVGSGVSGG EEGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKTIFQGIA AKVGTGEPCC DWVGDEGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGM AQDEMAQAFE DWNKTELDSF LIEITANILK FQDTDGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQKFQ FDGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPELQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAVS TGVQAGIPMP CFTTALSFYD GYRHEMLPAS LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGGTVSSSSY NA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.589 177.584 0.007 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 Q N -0.098 119.709 119.800 0.012 0.000 2.394 3 Q HA 0.410 4.749 4.340 -0.001 0.000 0.218 3 Q C 0.923 176.942 176.000 0.032 0.000 0.907 3 Q CA 0.929 56.743 55.803 0.020 0.000 0.919 3 Q CB -0.311 28.437 28.738 0.018 0.000 1.051 3 Q HN 1.189 nan 8.270 nan 0.000 0.538 4 A N 1.991 124.829 122.820 0.031 0.000 2.354 4 A HA 0.188 4.508 4.320 -0.001 0.000 0.269 4 A C 0.249 177.861 177.584 0.045 0.000 1.109 4 A CA -0.271 51.793 52.037 0.044 0.000 0.800 4 A CB 0.417 19.440 19.000 0.039 0.000 1.045 4 A HN 0.107 nan 8.150 nan 0.000 0.489 5 D N 0.333 120.775 120.400 0.071 0.000 2.249 5 D HA 0.151 4.790 4.640 -0.001 0.000 0.205 5 D C 0.219 176.528 176.300 0.014 0.000 0.962 5 D CA 1.335 55.373 54.000 0.064 0.000 0.860 5 D CB 0.307 41.195 40.800 0.147 0.000 0.955 5 D HN 0.530 nan 8.370 nan 0.000 0.505 6 I N -0.828 119.754 120.570 0.020 0.000 2.897 6 I HA 0.398 4.567 4.170 -0.001 0.000 0.299 6 I C -1.990 174.138 176.117 0.018 0.000 1.527 6 I CA -0.709 60.590 61.300 -0.000 0.000 0.979 6 I CB 2.013 39.992 38.000 -0.034 0.000 1.360 6 I HN -0.185 nan 8.210 nan 0.000 0.495 7 A N 5.774 128.600 122.820 0.010 0.000 2.380 7 A HA 0.904 5.223 4.320 -0.001 0.000 0.315 7 A C -1.879 175.710 177.584 0.008 0.000 1.101 7 A CA -0.560 51.487 52.037 0.017 0.000 0.771 7 A CB 1.813 20.816 19.000 0.005 0.000 1.287 7 A HN 0.714 nan 8.150 nan 0.000 0.436 8 L N 1.980 123.209 121.223 0.010 0.000 2.436 8 L HA 0.708 5.047 4.340 -0.001 0.000 0.268 8 L C -1.633 175.214 176.870 -0.040 0.000 0.974 8 L CA -0.608 54.218 54.840 -0.023 0.000 0.826 8 L CB 1.528 43.568 42.059 -0.032 0.000 1.291 8 L HN 0.666 nan 8.230 nan 0.000 0.406 9 I N 4.491 124.999 120.570 -0.105 0.000 2.378 9 I HA 0.744 4.913 4.170 -0.001 0.000 0.291 9 I C 0.207 176.199 176.117 -0.208 0.000 0.992 9 I CA -0.662 60.525 61.300 -0.189 0.000 1.154 9 I CB 1.626 39.377 38.000 -0.415 0.000 1.315 9 I HN 0.807 nan 8.210 nan 0.000 0.448 10 G N 6.128 114.810 108.800 -0.196 0.000 3.393 10 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.676 10 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.676 10 G C -0.876 173.910 174.900 -0.189 0.000 1.224 10 G CA -0.937 44.070 45.100 -0.155 0.000 1.109 10 G HN 0.570 nan 8.290 nan 0.000 0.519 11 L N 1.831 122.934 121.223 -0.200 0.000 3.141 11 L HA 0.550 4.889 4.340 -0.001 0.000 0.263 11 L C 1.375 178.120 176.870 -0.209 0.000 1.312 11 L CA 0.184 54.855 54.840 -0.283 0.000 1.012 11 L CB 0.099 41.970 42.059 -0.313 0.000 1.408 11 L HN 0.841 nan 8.230 nan 0.000 0.559 12 A N 0.039 122.768 122.820 -0.151 0.000 2.529 12 A HA 0.301 4.621 4.320 -0.001 0.000 0.269 12 A C 1.384 178.898 177.584 -0.116 0.000 1.509 12 A CA 0.185 52.157 52.037 -0.108 0.000 0.857 12 A CB 0.301 19.257 19.000 -0.074 0.000 1.531 12 A HN -0.032 nan 8.150 nan 0.000 0.541 13 V N -0.458 119.406 119.914 -0.083 0.000 2.252 13 V HA -0.249 3.871 4.120 -0.001 0.000 0.249 13 V C 2.273 178.313 176.094 -0.090 0.000 1.056 13 V CA 2.875 65.130 62.300 -0.075 0.000 1.022 13 V CB -0.674 31.116 31.823 -0.055 0.000 0.641 13 V HN 0.658 nan 8.190 nan 0.000 0.445 14 M N 0.257 119.804 119.600 -0.088 0.000 2.086 14 M HA -0.028 4.451 4.480 -0.001 0.000 0.261 14 M C 2.327 178.560 176.300 -0.112 0.000 1.067 14 M CA 2.029 57.274 55.300 -0.091 0.000 1.116 14 M CB -2.153 30.401 32.600 -0.076 0.000 1.348 14 M HN 0.505 nan 8.290 nan 0.000 0.407 15 G N -0.367 108.353 108.800 -0.133 0.000 2.414 15 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.215 15 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.215 15 G C 1.522 176.288 174.900 -0.223 0.000 1.188 15 G CA 0.371 45.371 45.100 -0.166 0.000 0.783 15 G HN 0.492 nan 8.290 nan 0.000 0.537 16 Q N 0.171 119.788 119.800 -0.306 0.000 2.077 16 Q HA -0.130 4.209 4.340 -0.001 0.000 0.206 16 Q C 2.551 178.487 176.000 -0.107 0.000 0.989 16 Q CA 1.307 56.876 55.803 -0.390 0.000 0.853 16 Q CB -0.223 28.317 28.738 -0.330 0.000 0.907 16 Q HN 0.421 nan 8.270 nan 0.000 0.418 17 N N 0.525 119.168 118.700 -0.094 0.000 2.188 17 N HA -0.131 4.608 4.740 -0.001 0.000 0.184 17 N C 1.813 177.274 175.510 -0.082 0.000 1.018 17 N CA 0.741 53.741 53.050 -0.083 0.000 0.858 17 N CB -0.104 38.317 38.487 -0.110 0.000 0.989 17 N HN 0.123 nan 8.380 nan 0.000 0.426 18 L N 1.452 122.623 121.223 -0.087 0.000 2.141 18 L HA 0.050 4.389 4.340 -0.001 0.000 0.209 18 L C 2.057 178.910 176.870 -0.029 0.000 1.094 18 L CA 0.866 55.658 54.840 -0.079 0.000 0.763 18 L CB -0.256 41.740 42.059 -0.105 0.000 0.908 18 L HN 0.079 nan 8.230 nan 0.000 0.437 19 I N -1.217 119.350 120.570 -0.006 0.000 2.179 19 I HA -0.339 3.830 4.170 -0.001 0.000 0.242 19 I C 2.272 178.462 176.117 0.122 0.000 1.088 19 I CA 1.343 62.687 61.300 0.073 0.000 1.357 19 I CB -0.289 37.779 38.000 0.113 0.000 1.051 19 I HN 0.227 nan 8.210 nan 0.000 0.409 20 L N 0.478 121.777 121.223 0.125 0.000 2.083 20 L HA -0.248 4.091 4.340 -0.001 0.000 0.209 20 L C 2.442 179.354 176.870 0.069 0.000 1.083 20 L CA 1.166 56.064 54.840 0.097 0.000 0.752 20 L CB -0.826 41.273 42.059 0.067 0.000 0.899 20 L HN 0.403 nan 8.230 nan 0.000 0.433 21 N N 0.827 119.552 118.700 0.042 0.000 2.084 21 N HA -0.199 4.540 4.740 -0.001 0.000 0.190 21 N C 1.908 177.566 175.510 0.248 0.000 1.030 21 N CA 1.768 54.881 53.050 0.106 0.000 0.849 21 N CB -0.101 38.405 38.487 0.031 0.000 1.012 21 N HN 0.243 nan 8.380 nan 0.000 0.423 22 M N 0.396 120.108 119.600 0.187 0.000 2.159 22 M HA -0.123 4.356 4.480 -0.001 0.000 0.263 22 M C 2.010 178.508 176.300 0.330 0.000 1.063 22 M CA 1.057 56.540 55.300 0.305 0.000 1.110 22 M CB -0.445 32.273 32.600 0.198 0.000 1.374 22 M HN 0.249 nan 8.290 nan 0.000 0.411 23 N N 0.819 119.640 118.700 0.201 0.000 2.084 23 N HA -0.203 4.536 4.740 -0.001 0.000 0.190 23 N C 0.989 176.547 175.510 0.079 0.000 1.030 23 N CA 1.689 54.818 53.050 0.132 0.000 0.849 23 N CB -0.177 38.367 38.487 0.095 0.000 1.012 23 N HN 0.261 nan 8.380 nan 0.000 0.423 24 D N -0.270 120.181 120.400 0.085 0.000 2.263 24 D HA -0.109 4.530 4.640 -0.001 0.000 0.208 24 D C 0.856 177.090 176.300 -0.110 0.000 0.971 24 D CA 1.006 55.001 54.000 -0.008 0.000 0.867 24 D CB -0.379 40.416 40.800 -0.009 0.000 0.929 24 D HN 0.515 nan 8.370 nan 0.000 0.492 25 H N -1.409 117.645 119.070 -0.026 0.000 2.526 25 H HA 0.326 4.881 4.556 -0.001 0.000 0.274 25 H C 1.462 176.517 175.328 -0.456 0.000 0.999 25 H CA 0.606 56.568 56.048 -0.143 0.000 1.157 25 H CB 0.535 30.302 29.762 0.008 0.000 1.407 25 H HN 0.158 nan 8.280 nan 0.000 0.568 26 G N -0.352 108.303 108.800 -0.242 0.000 2.176 26 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 26 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 26 G C -0.169 174.538 174.900 -0.320 0.000 0.986 26 G CA -0.341 44.578 45.100 -0.302 0.000 0.643 26 G HN 0.181 nan 8.290 nan 0.000 0.522 27 F N 0.824 120.814 119.950 0.067 0.000 2.396 27 F HA 0.577 5.103 4.527 -0.001 0.000 0.343 27 F C 0.905 176.730 175.800 0.043 0.000 1.104 27 F CA -1.003 57.027 58.000 0.050 0.000 1.161 27 F CB 1.566 40.596 39.000 0.050 0.000 1.146 27 F HN -0.044 nan 8.300 nan 0.000 0.522 28 V N 4.595 124.640 119.914 0.219 0.000 2.455 28 V HA 0.314 4.433 4.120 -0.001 0.000 0.273 28 V C -0.064 176.110 176.094 0.132 0.000 1.045 28 V CA -0.528 61.853 62.300 0.135 0.000 0.976 28 V CB 0.913 32.789 31.823 0.090 0.000 0.993 28 V HN 0.512 nan 8.190 nan 0.000 0.475 29 V N 4.492 124.476 119.914 0.118 0.000 2.495 29 V HA 0.340 4.459 4.120 -0.001 0.000 0.298 29 V C -0.066 176.086 176.094 0.096 0.000 1.031 29 V CA -0.601 61.763 62.300 0.105 0.000 0.871 29 V CB 1.857 33.752 31.823 0.120 0.000 0.988 29 V HN 0.989 nan 8.190 nan 0.000 0.432 30 C N 5.509 124.856 119.300 0.078 0.000 2.255 30 C HA 0.814 5.273 4.460 -0.001 0.000 0.326 30 C C 0.768 175.821 174.990 0.105 0.000 1.258 30 C CA -0.479 58.588 59.018 0.082 0.000 1.676 30 C CB -0.597 27.173 27.740 0.049 0.000 2.314 30 C HN 1.052 nan 8.230 nan 0.000 0.509 31 A N 5.792 128.701 122.820 0.150 0.000 2.309 31 A HA 0.815 5.134 4.320 -0.001 0.000 0.298 31 A C -0.898 176.829 177.584 0.238 0.000 1.165 31 A CA -0.216 51.919 52.037 0.163 0.000 0.821 31 A CB 0.416 19.553 19.000 0.228 0.000 1.102 31 A HN 0.966 nan 8.150 nan 0.000 0.500 32 F N 1.366 121.300 119.950 -0.027 0.000 2.643 32 F HA 0.684 5.210 4.527 -0.002 0.000 0.314 32 F C -0.763 175.002 175.800 -0.058 0.000 1.096 32 F CA -0.924 57.060 58.000 -0.027 0.000 0.953 32 F CB 2.184 41.164 39.000 -0.034 0.000 1.345 32 F HN 0.663 nan 8.300 nan 0.000 0.468 33 N N 1.469 119.556 118.700 -1.022 0.000 2.504 33 N HA 0.303 5.042 4.740 -0.001 0.000 0.268 33 N C 0.181 175.262 175.510 -0.714 0.000 1.184 33 N CA -0.584 52.087 53.050 -0.632 0.000 0.875 33 N CB 1.967 40.255 38.487 -0.332 0.000 1.630 33 N HN 0.674 nan 8.380 nan 0.000 0.486 34 R N 0.450 120.841 120.500 -0.182 0.000 2.115 34 R HA -0.061 4.278 4.340 -0.001 0.000 0.239 34 R C -0.238 175.987 176.300 -0.126 0.000 1.133 34 R CA 1.804 57.881 56.100 -0.039 0.000 0.935 34 R CB -0.624 29.717 30.300 0.068 0.000 0.853 34 R HN 0.653 nan 8.270 nan 0.000 0.433 35 T N 1.486 115.974 114.554 -0.110 0.000 2.848 35 T HA 0.132 4.481 4.350 -0.001 0.000 0.283 35 T C 1.106 175.735 174.700 -0.118 0.000 0.919 35 T CA -0.353 61.697 62.100 -0.083 0.000 1.071 35 T CB 1.430 70.267 68.868 -0.052 0.000 0.912 35 T HN 0.027 nan 8.240 nan 0.000 0.570 36 V N 2.920 122.776 119.914 -0.096 0.000 2.626 36 V HA -0.182 3.937 4.120 -0.001 0.000 0.252 36 V C 2.689 178.776 176.094 -0.011 0.000 1.067 36 V CA 1.886 64.142 62.300 -0.073 0.000 1.081 36 V CB -0.908 30.943 31.823 0.047 0.000 0.686 36 V HN 0.975 nan 8.190 nan 0.000 0.468 37 S N 0.451 116.150 115.700 -0.002 0.000 2.400 37 S HA -0.275 4.195 4.470 -0.001 0.000 0.232 37 S C 1.879 176.490 174.600 0.019 0.000 1.025 37 S CA 1.496 59.705 58.200 0.015 0.000 0.993 37 S CB -0.475 62.733 63.200 0.012 0.000 0.808 37 S HN 0.634 nan 8.310 nan 0.000 0.478 38 K N 0.723 121.121 120.400 -0.004 0.000 2.283 38 K HA 0.062 4.381 4.320 -0.001 0.000 0.202 38 K C 1.951 178.583 176.600 0.053 0.000 1.048 38 K CA 0.975 57.267 56.287 0.008 0.000 0.948 38 K CB -0.385 32.094 32.500 -0.035 0.000 0.742 38 K HN 0.294 nan 8.250 nan 0.000 0.458 39 V N 2.081 122.020 119.914 0.042 0.000 2.295 39 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 39 V C 1.706 177.894 176.094 0.156 0.000 1.049 39 V CA 1.924 64.295 62.300 0.118 0.000 1.024 39 V CB -0.367 31.525 31.823 0.115 0.000 0.648 39 V HN 0.337 nan 8.190 nan 0.000 0.447 40 D N 0.013 120.473 120.400 0.101 0.000 2.144 40 D HA -0.157 4.482 4.640 -0.001 0.000 0.200 40 D C 1.834 178.177 176.300 0.072 0.000 0.978 40 D CA 1.450 55.496 54.000 0.077 0.000 0.833 40 D CB -0.290 40.544 40.800 0.056 0.000 0.961 40 D HN 0.444 nan 8.370 nan 0.000 0.470 41 D N 0.471 120.921 120.400 0.084 0.000 2.123 41 D HA -0.153 4.487 4.640 -0.001 0.000 0.196 41 D C 1.835 178.208 176.300 0.121 0.000 0.992 41 D CA 0.470 54.519 54.000 0.081 0.000 0.833 41 D CB -0.521 40.324 40.800 0.074 0.000 0.954 41 D HN 0.180 nan 8.370 nan 0.000 0.455 42 F N 1.373 121.322 119.950 -0.002 0.000 2.113 42 F HA -0.070 4.456 4.527 -0.001 0.000 0.297 42 F C 2.104 177.907 175.800 0.005 0.000 1.103 42 F CA 0.991 58.990 58.000 -0.002 0.000 1.248 42 F CB -0.453 38.544 39.000 -0.005 0.000 0.999 42 F HN -0.136 nan 8.300 nan 0.000 0.475 43 L N -0.201 120.953 121.223 -0.115 0.000 2.275 43 L HA -0.114 4.226 4.340 -0.001 0.000 0.215 43 L C 2.506 179.282 176.870 -0.157 0.000 1.119 43 L CA 0.994 55.708 54.840 -0.210 0.000 0.790 43 L CB -0.915 41.111 42.059 -0.056 0.000 0.919 43 L HN 0.255 nan 8.230 nan 0.000 0.443 44 A N -1.036 121.734 122.820 -0.083 0.000 2.132 44 A HA 0.016 4.335 4.320 -0.001 0.000 0.213 44 A C 1.723 179.270 177.584 -0.062 0.000 1.154 44 A CA 0.556 52.560 52.037 -0.054 0.000 0.753 44 A CB -0.064 18.927 19.000 -0.015 0.000 0.826 44 A HN 0.400 nan 8.150 nan 0.000 0.469 45 N N -0.928 117.723 118.700 -0.082 0.000 2.871 45 N HA 0.018 4.758 4.740 -0.001 0.000 0.204 45 N C 1.124 176.570 175.510 -0.105 0.000 1.233 45 N CA 0.443 53.458 53.050 -0.057 0.000 1.124 45 N CB -0.252 38.237 38.487 0.003 0.000 1.414 45 N HN 0.157 nan 8.380 nan 0.000 0.511 46 E N 1.614 121.761 120.200 -0.089 0.000 2.160 46 E HA -0.046 4.304 4.350 -0.001 0.000 0.195 46 E C 1.042 177.478 176.600 -0.274 0.000 0.991 46 E CA 1.211 57.561 56.400 -0.083 0.000 0.810 46 E CB -0.114 29.681 29.700 0.159 0.000 0.742 46 E HN 0.425 nan 8.360 nan 0.000 0.466 47 A N 0.876 123.319 122.820 -0.628 0.000 2.460 47 A HA 0.059 4.378 4.320 -0.001 0.000 0.258 47 A C 1.582 178.980 177.584 -0.310 0.000 1.300 47 A CA 0.043 51.725 52.037 -0.592 0.000 0.913 47 A CB -0.373 17.979 19.000 -1.080 0.000 1.031 47 A HN 0.228 nan 8.150 nan 0.000 0.512 48 K N -0.623 119.648 120.400 -0.215 0.000 2.152 48 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 48 K C 1.114 177.659 176.600 -0.092 0.000 1.048 48 K CA 1.777 57.986 56.287 -0.131 0.000 0.933 48 K CB -0.339 32.109 32.500 -0.088 0.000 0.721 48 K HN 0.246 nan 8.250 nan 0.000 0.447 49 G N 1.876 110.627 108.800 -0.082 0.000 3.936 49 G HA2 0.130 4.090 3.960 -0.001 0.000 0.296 49 G HA3 0.130 4.090 3.960 -0.001 0.000 0.296 49 G C -0.175 174.695 174.900 -0.050 0.000 1.121 49 G CA -0.048 45.019 45.100 -0.055 0.000 0.899 49 G HN 0.486 nan 8.290 nan 0.000 0.542 50 T N -3.499 111.015 114.554 -0.066 0.000 2.919 50 T HA 0.439 4.788 4.350 -0.001 0.000 0.282 50 T C 0.767 175.449 174.700 -0.030 0.000 1.020 50 T CA -0.767 61.306 62.100 -0.046 0.000 0.994 50 T CB 2.011 70.846 68.868 -0.056 0.000 1.180 50 T HN -0.054 nan 8.240 nan 0.000 0.566 51 K N 0.344 120.740 120.400 -0.007 0.000 2.458 51 K HA 0.264 4.584 4.320 -0.001 0.000 0.194 51 K C 0.059 176.672 176.600 0.022 0.000 1.024 51 K CA -0.166 56.125 56.287 0.007 0.000 1.108 51 K CB 0.018 32.527 32.500 0.015 0.000 0.846 51 K HN 0.347 nan 8.250 nan 0.000 0.518 52 V N 2.713 122.636 119.914 0.016 0.000 2.655 52 V HA -0.003 4.117 4.120 -0.001 0.000 0.300 52 V C 0.437 176.554 176.094 0.039 0.000 1.044 52 V CA -0.378 61.950 62.300 0.047 0.000 1.095 52 V CB 0.823 32.679 31.823 0.054 0.000 0.952 52 V HN 0.050 nan 8.190 nan 0.000 0.485 53 V N 2.309 122.262 119.914 0.065 0.000 2.815 53 V HA 1.058 5.177 4.120 -0.001 0.000 0.314 53 V C 0.280 176.431 176.094 0.095 0.000 1.064 53 V CA -0.222 62.115 62.300 0.061 0.000 0.952 53 V CB 1.619 33.471 31.823 0.048 0.000 1.020 53 V HN 0.929 nan 8.190 nan 0.000 0.439 54 G N 0.867 109.724 108.800 0.094 0.000 2.511 54 G HA2 0.881 4.840 3.960 -0.001 0.000 0.318 54 G HA3 0.881 4.840 3.960 -0.001 0.000 0.318 54 G C -0.762 174.208 174.900 0.116 0.000 1.210 54 G CA -0.440 44.740 45.100 0.134 0.000 0.969 54 G HN 1.585 nan 8.290 nan 0.000 0.484 55 A N -0.118 122.803 122.820 0.170 0.000 2.413 55 A HA 0.682 5.001 4.320 -0.001 0.000 0.307 55 A C 0.194 177.911 177.584 0.221 0.000 1.087 55 A CA -0.582 51.516 52.037 0.101 0.000 0.750 55 A CB 1.837 20.803 19.000 -0.057 0.000 1.296 55 A HN 0.452 nan 8.150 nan 0.000 0.423 56 Q N 0.168 120.047 119.800 0.131 0.000 2.282 56 Q HA 0.181 4.520 4.340 -0.001 0.000 0.206 56 Q C 0.170 176.303 176.000 0.221 0.000 0.878 56 Q CA 0.860 56.795 55.803 0.220 0.000 0.944 56 Q CB 0.589 29.403 28.738 0.127 0.000 1.100 56 Q HN 0.932 nan 8.270 nan 0.000 0.509 57 S N -2.058 113.595 115.700 -0.078 0.000 2.588 57 S HA 0.402 4.871 4.470 -0.001 0.000 0.269 57 S C 0.571 174.752 174.600 -0.700 0.000 1.157 57 S CA -0.755 57.298 58.200 -0.245 0.000 0.824 57 S CB 0.548 63.712 63.200 -0.060 0.000 1.126 57 S HN 0.035 nan 8.310 nan 0.000 0.464 58 L N 1.168 122.042 121.223 -0.582 0.000 2.042 58 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 58 L C 2.693 179.414 176.870 -0.249 0.000 1.076 58 L CA 1.575 56.152 54.840 -0.438 0.000 0.749 58 L CB -0.620 41.372 42.059 -0.112 0.000 0.893 58 L HN 0.807 nan 8.230 nan 0.000 0.432 59 K N -0.071 120.236 120.400 -0.154 0.000 2.032 59 K HA -0.271 4.048 4.320 -0.001 0.000 0.209 59 K C 2.054 178.593 176.600 -0.101 0.000 1.048 59 K CA 1.952 58.184 56.287 -0.092 0.000 0.927 59 K CB -0.122 32.345 32.500 -0.055 0.000 0.712 59 K HN 0.319 nan 8.250 nan 0.000 0.441 60 E N 0.863 120.989 120.200 -0.124 0.000 2.077 60 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 60 E C 2.084 178.616 176.600 -0.112 0.000 0.989 60 E CA 1.024 57.365 56.400 -0.098 0.000 0.800 60 E CB -0.029 29.623 29.700 -0.081 0.000 0.746 60 E HN 0.239 nan 8.360 nan 0.000 0.452 61 M N 0.493 119.976 119.600 -0.195 0.000 2.086 61 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 61 M C 2.080 178.321 176.300 -0.098 0.000 1.067 61 M CA 1.438 56.640 55.300 -0.164 0.000 1.116 61 M CB 0.008 32.438 32.600 -0.283 0.000 1.348 61 M HN 0.127 nan 8.290 nan 0.000 0.407 62 V N 0.900 120.753 119.914 -0.102 0.000 2.407 62 V HA -0.244 3.875 4.120 -0.001 0.000 0.248 62 V C 2.526 178.594 176.094 -0.044 0.000 1.055 62 V CA 2.070 64.334 62.300 -0.060 0.000 1.049 62 V CB -1.115 30.676 31.823 -0.053 0.000 0.662 62 V HN 0.749 nan 8.190 nan 0.000 0.455 63 S N -0.356 115.316 115.700 -0.046 0.000 2.481 63 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 63 S C 1.695 176.281 174.600 -0.023 0.000 0.996 63 S CA 0.794 58.975 58.200 -0.032 0.000 0.942 63 S CB -0.353 62.828 63.200 -0.031 0.000 0.768 63 S HN 0.644 nan 8.310 nan 0.000 0.520 64 K N 0.469 120.855 120.400 -0.024 0.000 2.426 64 K HA 0.292 4.612 4.320 -0.001 0.000 0.193 64 K C -0.095 176.502 176.600 -0.005 0.000 1.028 64 K CA 0.044 56.325 56.287 -0.011 0.000 1.047 64 K CB -0.074 32.422 32.500 -0.006 0.000 0.821 64 K HN 0.410 nan 8.250 nan 0.000 0.513 65 L N 1.878 123.093 121.223 -0.012 0.000 2.312 65 L HA 0.195 4.534 4.340 -0.001 0.000 0.281 65 L C 0.068 176.930 176.870 -0.012 0.000 1.070 65 L CA -0.601 54.233 54.840 -0.010 0.000 0.805 65 L CB 1.056 43.105 42.059 -0.017 0.000 1.174 65 L HN -0.092 nan 8.230 nan 0.000 0.434 66 K N 2.579 122.975 120.400 -0.008 0.000 2.326 66 K HA 0.217 4.536 4.320 -0.001 0.000 0.275 66 K C -0.483 176.098 176.600 -0.032 0.000 1.018 66 K CA -0.367 55.912 56.287 -0.013 0.000 0.962 66 K CB 0.741 33.240 32.500 -0.001 0.000 0.953 66 K HN 0.384 nan 8.250 nan 0.000 0.475 67 K N 2.985 123.362 120.400 -0.039 0.000 2.174 67 K HA 0.200 4.519 4.320 -0.001 0.000 0.275 67 K C -2.087 174.458 176.600 -0.091 0.000 1.015 67 K CA -1.664 54.585 56.287 -0.064 0.000 0.933 67 K CB 0.582 33.049 32.500 -0.055 0.000 1.025 67 K HN 0.439 nan 8.250 nan 0.000 0.463 68 P HA 0.101 nan 4.420 nan 0.000 0.276 68 P C -0.960 176.269 177.300 -0.119 0.000 1.235 68 P CA -0.185 62.809 63.100 -0.175 0.000 0.772 68 P CB 0.655 32.151 31.700 -0.341 0.000 0.871 69 R N 2.808 123.261 120.500 -0.078 0.000 2.570 69 R HA 0.225 4.564 4.340 -0.001 0.000 0.277 69 R C 0.433 176.708 176.300 -0.043 0.000 1.039 69 R CA 0.077 56.148 56.100 -0.049 0.000 1.065 69 R CB 0.437 30.717 30.300 -0.033 0.000 0.964 69 R HN 0.449 nan 8.270 nan 0.000 0.428 70 R N 2.793 123.274 120.500 -0.031 0.000 2.439 70 R HA 0.393 4.732 4.340 -0.001 0.000 0.310 70 R C -0.947 175.351 176.300 -0.004 0.000 0.955 70 R CA -0.644 55.445 56.100 -0.019 0.000 0.853 70 R CB 1.292 31.575 30.300 -0.029 0.000 1.171 70 R HN 0.392 nan 8.270 nan 0.000 0.449 71 I N 3.996 124.572 120.570 0.009 0.000 2.436 71 I HA 0.401 4.570 4.170 -0.001 0.000 0.289 71 I C -0.352 175.778 176.117 0.020 0.000 1.010 71 I CA -0.367 60.940 61.300 0.010 0.000 1.098 71 I CB 1.923 39.929 38.000 0.010 0.000 1.266 71 I HN 0.447 nan 8.210 nan 0.000 0.434 72 I N 6.300 126.877 120.570 0.011 0.000 2.412 72 I HA 0.419 4.588 4.170 -0.001 0.000 0.296 72 I C -0.753 175.351 176.117 -0.021 0.000 0.987 72 I CA -0.627 60.684 61.300 0.017 0.000 1.180 72 I CB 1.260 39.273 38.000 0.021 0.000 1.340 72 I HN 0.279 nan 8.210 nan 0.000 0.455 73 L N 7.406 128.628 121.223 -0.002 0.000 2.305 73 L HA 0.482 4.821 4.340 -0.001 0.000 0.284 73 L C -0.497 176.368 176.870 -0.008 0.000 1.013 73 L CA -0.421 54.400 54.840 -0.031 0.000 0.819 73 L CB 1.282 43.359 42.059 0.030 0.000 1.227 73 L HN 0.495 nan 8.230 nan 0.000 0.417 74 L N 5.656 126.853 121.223 -0.044 0.000 2.637 74 L HA 0.366 4.705 4.340 -0.001 0.000 0.241 74 L C -0.348 176.506 176.870 -0.027 0.000 1.398 74 L CA -0.412 54.410 54.840 -0.030 0.000 0.895 74 L CB 1.098 43.122 42.059 -0.059 0.000 1.183 74 L HN 0.429 nan 8.230 nan 0.000 0.497 75 V N -2.375 117.550 119.914 0.017 0.000 3.113 75 V HA 0.479 4.598 4.120 -0.001 0.000 0.316 75 V C 0.165 176.295 176.094 0.060 0.000 1.125 75 V CA -1.366 60.964 62.300 0.050 0.000 1.026 75 V CB 1.823 33.730 31.823 0.140 0.000 1.080 75 V HN 0.388 nan 8.190 nan 0.000 0.444 76 K N 1.601 122.035 120.400 0.056 0.000 2.504 76 K HA 0.263 4.583 4.320 -0.001 0.000 0.278 76 K C 0.445 177.088 176.600 0.072 0.000 1.025 76 K CA 0.513 56.830 56.287 0.050 0.000 1.093 76 K CB 0.172 32.695 32.500 0.039 0.000 0.873 76 K HN 1.199 nan 8.250 nan 0.000 0.483 77 A N 3.791 126.657 122.820 0.076 0.000 2.483 77 A HA 0.470 4.790 4.320 -0.001 0.000 0.238 77 A C 0.859 178.498 177.584 0.093 0.000 1.070 77 A CA 0.667 52.760 52.037 0.094 0.000 0.770 77 A CB -0.058 19.027 19.000 0.142 0.000 1.008 77 A HN 1.129 nan 8.150 nan 0.000 0.497 78 G N -0.042 108.798 108.800 0.067 0.000 2.317 78 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.196 78 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.196 78 G C 0.635 175.551 174.900 0.026 0.000 1.255 78 G CA 0.674 45.800 45.100 0.043 0.000 1.243 78 G HN 1.014 nan 8.290 nan 0.000 0.535 79 Q N 0.504 120.312 119.800 0.013 0.000 2.124 79 Q HA 0.170 4.509 4.340 -0.001 0.000 0.202 79 Q C 2.898 178.894 176.000 -0.006 0.000 0.977 79 Q CA 3.528 59.327 55.803 -0.007 0.000 0.850 79 Q CB -0.901 27.826 28.738 -0.019 0.000 0.901 79 Q HN 1.507 nan 8.270 nan 0.000 0.429 80 A N -0.600 122.226 122.820 0.010 0.000 1.948 80 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 80 A C 2.252 179.906 177.584 0.117 0.000 1.177 80 A CA 1.813 53.857 52.037 0.012 0.000 0.636 80 A CB -0.865 18.177 19.000 0.070 0.000 0.815 80 A HN 0.280 nan 8.150 nan 0.000 0.449 81 V N 0.459 120.462 119.914 0.149 0.000 2.307 81 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 81 V C 2.179 178.362 176.094 0.148 0.000 1.045 81 V CA 2.202 64.625 62.300 0.205 0.000 1.024 81 V CB -0.783 31.137 31.823 0.162 0.000 0.651 81 V HN 0.516 nan 8.190 nan 0.000 0.449 82 D N -0.002 120.432 120.400 0.057 0.000 2.144 82 D HA -0.169 4.470 4.640 -0.001 0.000 0.199 82 D C 1.900 178.203 176.300 0.005 0.000 0.984 82 D CA 1.433 55.440 54.000 0.011 0.000 0.834 82 D CB -0.283 40.503 40.800 -0.024 0.000 0.955 82 D HN 0.414 nan 8.370 nan 0.000 0.465 83 D N 0.041 120.419 120.400 -0.037 0.000 2.116 83 D HA -0.157 4.482 4.640 -0.001 0.000 0.193 83 D C 1.979 178.221 176.300 -0.096 0.000 0.998 83 D CA 0.755 54.680 54.000 -0.125 0.000 0.836 83 D CB -0.477 40.163 40.800 -0.266 0.000 0.951 83 D HN 0.209 nan 8.370 nan 0.000 0.449 84 F N 0.622 120.599 119.950 0.044 0.000 2.146 84 F HA 0.017 4.545 4.527 0.001 0.000 0.298 84 F C 2.426 178.257 175.800 0.052 0.000 1.096 84 F CA 0.324 58.362 58.000 0.064 0.000 1.275 84 F CB -0.506 38.546 39.000 0.087 0.000 1.008 84 F HN -0.056 nan 8.300 nan 0.000 0.480 85 I N -0.070 120.632 120.570 0.220 0.000 2.163 85 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 85 I C 2.204 178.362 176.117 0.069 0.000 1.085 85 I CA 1.564 62.936 61.300 0.120 0.000 1.347 85 I CB -0.549 37.474 38.000 0.039 0.000 1.044 85 I HN 0.162 nan 8.210 nan 0.000 0.408 86 E N 0.873 121.097 120.200 0.041 0.000 2.085 86 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 86 E C 2.157 178.776 176.600 0.031 0.000 0.994 86 E CA 1.310 57.720 56.400 0.016 0.000 0.801 86 E CB -0.034 29.661 29.700 -0.007 0.000 0.743 86 E HN 0.437 nan 8.360 nan 0.000 0.453 87 K N 0.148 120.581 120.400 0.055 0.000 2.155 87 K HA -0.045 4.275 4.320 -0.001 0.000 0.203 87 K C 2.112 178.757 176.600 0.076 0.000 1.052 87 K CA 0.588 56.914 56.287 0.066 0.000 0.948 87 K CB 0.071 32.626 32.500 0.092 0.000 0.728 87 K HN 0.106 nan 8.250 nan 0.000 0.448 88 L N 0.340 121.623 121.223 0.100 0.000 2.095 88 L HA -0.130 4.210 4.340 -0.001 0.000 0.204 88 L C 2.240 179.138 176.870 0.046 0.000 1.080 88 L CA 0.542 55.429 54.840 0.078 0.000 0.759 88 L CB -0.267 41.853 42.059 0.103 0.000 0.914 88 L HN -0.078 nan 8.230 nan 0.000 0.439 89 V N 0.594 120.532 119.914 0.042 0.000 2.317 89 V HA -0.231 3.888 4.120 -0.001 0.000 0.251 89 V C -0.250 175.853 176.094 0.015 0.000 1.065 89 V CA 2.186 64.501 62.300 0.025 0.000 1.049 89 V CB -1.596 30.235 31.823 0.014 0.000 0.651 89 V HN 0.371 nan 8.190 nan 0.000 0.450 90 P HA -0.081 nan 4.420 nan 0.000 0.220 90 P C 1.558 178.860 177.300 0.004 0.000 1.148 90 P CA 1.248 64.352 63.100 0.007 0.000 0.803 90 P CB -0.044 31.660 31.700 0.007 0.000 0.782 91 L N -2.457 118.769 121.223 0.006 0.000 2.567 91 L HA 0.132 4.471 4.340 -0.001 0.000 0.225 91 L C 1.081 177.949 176.870 -0.004 0.000 1.119 91 L CA 0.019 54.857 54.840 -0.002 0.000 0.871 91 L CB -0.250 41.806 42.059 -0.006 0.000 1.036 91 L HN -0.032 nan 8.230 nan 0.000 0.459 92 L N -0.648 120.576 121.223 0.001 0.000 2.387 92 L HA 0.384 4.724 4.340 -0.001 0.000 0.266 92 L C -0.461 176.406 176.870 -0.005 0.000 1.059 92 L CA -0.633 54.206 54.840 -0.001 0.000 0.801 92 L CB 1.274 43.338 42.059 0.009 0.000 1.223 92 L HN -0.064 nan 8.230 nan 0.000 0.456 93 D N -0.356 120.037 120.400 -0.012 0.000 2.272 93 D HA 0.220 4.859 4.640 -0.001 0.000 0.247 93 D C -0.390 175.901 176.300 -0.015 0.000 0.990 93 D CA -0.360 53.631 54.000 -0.015 0.000 0.931 93 D CB 1.798 42.585 40.800 -0.022 0.000 1.195 93 D HN 0.369 nan 8.370 nan 0.000 0.477 94 T N 0.133 114.679 114.554 -0.014 0.000 2.905 94 T HA 0.356 4.705 4.350 -0.001 0.000 0.299 94 T C 1.234 175.918 174.700 -0.026 0.000 1.024 94 T CA 1.327 63.420 62.100 -0.013 0.000 1.151 94 T CB 0.375 69.237 68.868 -0.010 0.000 0.987 94 T HN 0.638 nan 8.240 nan 0.000 0.535 95 G N 3.592 112.378 108.800 -0.024 0.000 2.194 95 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.236 95 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.236 95 G C -0.059 174.795 174.900 -0.076 0.000 0.987 95 G CA -0.188 44.881 45.100 -0.051 0.000 0.635 95 G HN 0.669 nan 8.290 nan 0.000 0.520 96 D N 0.088 120.460 120.400 -0.047 0.000 2.361 96 D HA 0.588 5.227 4.640 -0.001 0.000 0.239 96 D C 0.682 176.977 176.300 -0.007 0.000 1.200 96 D CA 0.383 54.358 54.000 -0.041 0.000 0.915 96 D CB 0.916 41.703 40.800 -0.021 0.000 1.170 96 D HN 0.326 nan 8.370 nan 0.000 0.444 97 I N 1.264 121.832 120.570 -0.003 0.000 2.478 97 I HA 0.314 4.483 4.170 -0.001 0.000 0.287 97 I C -0.550 175.595 176.117 0.045 0.000 1.042 97 I CA -0.496 60.818 61.300 0.023 0.000 1.067 97 I CB 1.560 39.556 38.000 -0.007 0.000 1.233 97 I HN 0.061 nan 8.210 nan 0.000 0.431 98 I N 7.108 127.738 120.570 0.101 0.000 2.378 98 I HA 0.448 4.617 4.170 -0.001 0.000 0.291 98 I C -0.677 175.435 176.117 -0.009 0.000 0.992 98 I CA -0.543 60.833 61.300 0.127 0.000 1.154 98 I CB 1.797 39.971 38.000 0.290 0.000 1.315 98 I HN 0.376 nan 8.210 nan 0.000 0.448 99 I N 5.170 125.720 120.570 -0.032 0.000 2.390 99 I HA 0.176 4.345 4.170 -0.001 0.000 0.283 99 I C -0.436 175.653 176.117 -0.047 0.000 1.016 99 I CA -0.372 60.859 61.300 -0.116 0.000 1.151 99 I CB 1.253 39.261 38.000 0.013 0.000 1.293 99 I HN 0.453 nan 8.210 nan 0.000 0.458 100 D N 5.043 125.371 120.400 -0.121 0.000 2.352 100 D HA 0.235 4.874 4.640 -0.001 0.000 0.245 100 D C 1.039 177.424 176.300 0.142 0.000 1.224 100 D CA -0.102 53.953 54.000 0.092 0.000 0.879 100 D CB 1.489 42.453 40.800 0.274 0.000 1.057 100 D HN 0.669 nan 8.370 nan 0.000 0.491 101 G N 2.616 111.490 108.800 0.122 0.000 3.088 101 G HA2 0.253 4.212 3.960 -0.001 0.000 0.217 101 G HA3 0.253 4.212 3.960 -0.001 0.000 0.217 101 G C 0.793 175.770 174.900 0.129 0.000 1.159 101 G CA 0.049 45.222 45.100 0.122 0.000 0.760 101 G HN 0.562 nan 8.290 nan 0.000 0.550 102 G N 0.144 109.014 108.800 0.116 0.000 2.621 102 G HA2 0.269 4.228 3.960 -0.001 0.000 0.271 102 G HA3 0.269 4.228 3.960 -0.001 0.000 0.271 102 G C -0.099 174.812 174.900 0.019 0.000 1.236 102 G CA -0.665 44.469 45.100 0.056 0.000 0.958 102 G HN 0.077 nan 8.290 nan 0.000 0.512 103 N N 0.608 119.314 118.700 0.010 0.000 3.245 103 N HA 0.190 4.929 4.740 -0.001 0.000 0.296 103 N C -0.101 175.453 175.510 0.074 0.000 1.254 103 N CA 0.074 53.141 53.050 0.028 0.000 1.190 103 N CB 0.473 38.986 38.487 0.043 0.000 1.460 103 N HN 0.192 nan 8.380 nan 0.000 0.538 104 S N 0.317 115.858 115.700 -0.265 0.000 2.610 104 S HA 0.196 4.665 4.470 -0.001 0.000 0.273 104 S C 0.406 174.842 174.600 -0.273 0.000 1.274 104 S CA -0.691 57.359 58.200 -0.250 0.000 1.023 104 S CB 1.464 64.451 63.200 -0.356 0.000 0.962 104 S HN 0.355 nan 8.310 nan 0.000 0.523 105 E N 1.077 120.989 120.200 -0.480 0.000 2.384 105 E HA 0.006 4.355 4.350 -0.001 0.000 0.266 105 E C 0.448 176.895 176.600 -0.254 0.000 1.012 105 E CA -0.077 55.936 56.400 -0.645 0.000 0.901 105 E CB 0.287 29.362 29.700 -1.042 0.000 0.967 105 E HN 0.794 nan 8.360 nan 0.000 0.435 106 Y N 3.119 123.366 120.300 -0.087 0.000 2.256 106 Y HA -0.193 4.357 4.550 -0.001 0.000 0.288 106 Y C 1.802 177.723 175.900 0.036 0.000 1.155 106 Y CA 1.043 59.195 58.100 0.087 0.000 1.203 106 Y CB -0.238 38.392 38.460 0.282 0.000 0.980 106 Y HN 0.344 nan 8.280 nan 0.000 0.530 107 R N 0.607 120.662 120.500 -0.741 0.000 2.092 107 R HA -0.131 4.209 4.340 -0.001 0.000 0.231 107 R C 1.780 177.937 176.300 -0.239 0.000 1.119 107 R CA 1.484 57.275 56.100 -0.515 0.000 0.970 107 R CB -0.337 29.616 30.300 -0.578 0.000 0.864 107 R HN 0.405 nan 8.270 nan 0.000 0.440 108 D N -0.288 119.971 120.400 -0.234 0.000 2.123 108 D HA -0.124 4.515 4.640 -0.001 0.000 0.196 108 D C 1.737 178.016 176.300 -0.034 0.000 0.992 108 D CA 1.559 55.477 54.000 -0.137 0.000 0.833 108 D CB -0.211 40.498 40.800 -0.151 0.000 0.954 108 D HN 0.179 nan 8.370 nan 0.000 0.455 109 T N 0.189 114.782 114.554 0.066 0.000 2.746 109 T HA -0.101 4.249 4.350 -0.001 0.000 0.267 109 T C 2.017 176.834 174.700 0.195 0.000 1.039 109 T CA 1.520 63.779 62.100 0.265 0.000 1.142 109 T CB -0.423 68.699 68.868 0.423 0.000 0.866 109 T HN 0.135 nan 8.240 nan 0.000 0.444 110 T N 1.649 116.270 114.554 0.110 0.000 2.746 110 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 110 T C 2.042 176.763 174.700 0.034 0.000 1.039 110 T CA 1.271 63.427 62.100 0.093 0.000 1.142 110 T CB -0.173 68.740 68.868 0.075 0.000 0.866 110 T HN 0.377 nan 8.240 nan 0.000 0.444 111 R N 0.960 121.446 120.500 -0.023 0.000 2.070 111 R HA -0.068 4.271 4.340 -0.001 0.000 0.233 111 R C 2.513 178.751 176.300 -0.103 0.000 1.137 111 R CA 1.456 57.522 56.100 -0.057 0.000 0.945 111 R CB -0.134 30.119 30.300 -0.079 0.000 0.845 111 R HN 0.280 nan 8.270 nan 0.000 0.430 112 R N -0.091 120.300 120.500 -0.183 0.000 2.091 112 R HA -0.169 4.170 4.340 -0.001 0.000 0.238 112 R C 2.637 178.689 176.300 -0.413 0.000 1.136 112 R CA 1.658 57.506 56.100 -0.419 0.000 0.959 112 R CB -0.858 28.973 30.300 -0.781 0.000 0.856 112 R HN 0.374 nan 8.270 nan 0.000 0.437 113 C N 0.688 119.900 119.300 -0.147 0.000 2.432 113 C HA -0.084 4.375 4.460 -0.001 0.000 0.277 113 C C 2.544 177.565 174.990 0.052 0.000 1.249 113 C CA 0.966 60.057 59.018 0.122 0.000 1.725 113 C CB -0.666 27.240 27.740 0.277 0.000 2.028 113 C HN 0.408 nan 8.230 nan 0.000 0.477 114 R N 0.349 120.861 120.500 0.020 0.000 2.075 114 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 114 R C 1.958 178.252 176.300 -0.009 0.000 1.126 114 R CA 2.052 58.163 56.100 0.018 0.000 0.963 114 R CB -0.594 29.717 30.300 0.017 0.000 0.858 114 R HN 0.708 nan 8.270 nan 0.000 0.435 115 D N 0.674 121.045 120.400 -0.048 0.000 2.097 115 D HA -0.149 4.491 4.640 -0.001 0.000 0.195 115 D C 1.800 178.072 176.300 -0.046 0.000 0.989 115 D CA 1.137 55.104 54.000 -0.055 0.000 0.827 115 D CB 0.034 40.783 40.800 -0.085 0.000 0.966 115 D HN 0.101 nan 8.370 nan 0.000 0.456 116 L N -0.145 121.039 121.223 -0.066 0.000 2.156 116 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 116 L C 2.587 179.466 176.870 0.017 0.000 1.095 116 L CA 0.849 55.672 54.840 -0.028 0.000 0.770 116 L CB -0.462 41.578 42.059 -0.031 0.000 0.914 116 L HN 0.085 nan 8.230 nan 0.000 0.439 117 K N 0.812 121.231 120.400 0.031 0.000 2.063 117 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 117 K C 2.135 178.750 176.600 0.024 0.000 1.048 117 K CA 1.441 57.753 56.287 0.042 0.000 0.928 117 K CB -0.123 32.409 32.500 0.053 0.000 0.713 117 K HN 0.252 nan 8.250 nan 0.000 0.442 118 A N 1.163 123.991 122.820 0.013 0.000 2.024 118 A HA -0.158 4.161 4.320 -0.001 0.000 0.220 118 A C 1.460 179.046 177.584 0.004 0.000 1.164 118 A CA 1.587 53.628 52.037 0.007 0.000 0.643 118 A CB -0.229 18.771 19.000 0.000 0.000 0.806 118 A HN 0.344 nan 8.150 nan 0.000 0.451 119 K N -1.556 118.846 120.400 0.004 0.000 2.397 119 K HA 0.301 4.621 4.320 -0.001 0.000 0.202 119 K C 0.888 177.492 176.600 0.008 0.000 1.022 119 K CA 0.385 56.673 56.287 0.003 0.000 1.141 119 K CB 0.155 32.654 32.500 -0.002 0.000 0.857 119 K HN 0.591 nan 8.250 nan 0.000 0.514 120 G N 1.865 110.673 108.800 0.013 0.000 2.143 120 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.249 120 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.249 120 G C 0.065 174.977 174.900 0.021 0.000 0.981 120 G CA -0.096 45.012 45.100 0.014 0.000 0.665 120 G HN 0.278 nan 8.290 nan 0.000 0.528 121 I N 0.931 121.521 120.570 0.033 0.000 2.377 121 I HA 0.435 4.604 4.170 -0.001 0.000 0.293 121 I C 0.580 176.751 176.117 0.090 0.000 0.987 121 I CA -1.019 60.313 61.300 0.053 0.000 1.185 121 I CB 1.512 39.546 38.000 0.057 0.000 1.341 121 I HN -0.074 nan 8.210 nan 0.000 0.455 122 L N 6.341 127.621 121.223 0.094 0.000 2.260 122 L HA 0.350 4.689 4.340 -0.001 0.000 0.289 122 L C -0.643 176.341 176.870 0.190 0.000 1.057 122 L CA -0.194 54.718 54.840 0.119 0.000 0.811 122 L CB 0.361 42.464 42.059 0.074 0.000 1.184 122 L HN 0.421 nan 8.230 nan 0.000 0.429 123 F N 4.470 124.451 119.950 0.051 0.000 2.427 123 F HA 0.604 5.130 4.527 -0.001 0.000 0.346 123 F C -0.449 175.398 175.800 0.077 0.000 1.120 123 F CA -0.641 57.393 58.000 0.057 0.000 1.033 123 F CB 1.427 40.457 39.000 0.051 0.000 1.126 123 F HN 0.035 nan 8.300 nan 0.000 0.462 124 V N 5.066 124.605 119.914 -0.625 0.000 2.495 124 V HA 0.648 4.768 4.120 -0.001 0.000 0.298 124 V C 0.135 175.717 176.094 -0.853 0.000 1.031 124 V CA -0.732 61.268 62.300 -0.499 0.000 0.871 124 V CB 1.518 33.212 31.823 -0.215 0.000 0.988 124 V HN 0.955 nan 8.190 nan 0.000 0.432 125 G N 2.114 110.524 108.800 -0.651 0.000 2.437 125 G HA2 0.538 4.498 3.960 -0.001 0.000 0.315 125 G HA3 0.538 4.498 3.960 -0.001 0.000 0.315 125 G C -0.532 173.846 174.900 -0.870 0.000 1.210 125 G CA -0.297 44.425 45.100 -0.630 0.000 0.943 125 G HN 0.669 nan 8.290 nan 0.000 0.471 126 S N 1.630 116.952 115.700 -0.630 0.000 2.532 126 S HA 0.744 5.213 4.470 -0.001 0.000 0.299 126 S C 0.538 175.040 174.600 -0.162 0.000 1.105 126 S CA -0.275 57.712 58.200 -0.354 0.000 1.018 126 S CB 1.225 64.430 63.200 0.009 0.000 1.021 126 S HN 0.927 nan 8.310 nan 0.000 0.483 127 G N 2.132 110.853 108.800 -0.131 0.000 2.467 127 G HA2 0.543 4.503 3.960 -0.001 0.000 0.257 127 G HA3 0.543 4.503 3.960 -0.001 0.000 0.257 127 G C -0.995 173.886 174.900 -0.031 0.000 1.227 127 G CA -0.336 44.770 45.100 0.010 0.000 0.835 127 G HN 0.787 nan 8.290 nan 0.000 0.556 128 V N 0.829 120.713 119.914 -0.050 0.000 2.531 128 V HA 0.600 4.719 4.120 -0.001 0.000 0.301 128 V C 0.057 176.060 176.094 -0.151 0.000 1.034 128 V CA -0.718 61.526 62.300 -0.093 0.000 0.865 128 V CB 1.471 33.245 31.823 -0.082 0.000 0.995 128 V HN 0.833 nan 8.190 nan 0.000 0.424 129 S N 2.601 118.193 115.700 -0.181 0.000 2.600 129 S HA 0.836 5.305 4.470 -0.001 0.000 0.300 129 S C 0.717 175.219 174.600 -0.163 0.000 1.087 129 S CA 0.561 58.616 58.200 -0.241 0.000 0.965 129 S CB 1.736 64.699 63.200 -0.395 0.000 1.089 129 S HN 1.846 nan 8.310 nan 0.000 0.496 130 G N 1.043 109.736 108.800 -0.178 0.000 2.229 130 G HA2 0.187 4.146 3.960 -0.001 0.000 0.189 130 G HA3 0.187 4.146 3.960 -0.001 0.000 0.189 130 G C 1.300 176.107 174.900 -0.156 0.000 1.000 130 G CA 0.411 45.391 45.100 -0.201 0.000 0.663 130 G HN 2.007 nan 8.290 nan 0.000 0.493 131 G N 0.239 108.971 108.800 -0.114 0.000 2.578 131 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.275 131 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.275 131 G C 0.783 175.647 174.900 -0.059 0.000 1.271 131 G CA 1.241 46.298 45.100 -0.072 0.000 0.941 131 G HN 1.346 nan 8.290 nan 0.000 0.564 132 E N -0.521 119.657 120.200 -0.037 0.000 2.049 132 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 132 E C 2.513 179.092 176.600 -0.034 0.000 1.007 132 E CA 2.277 58.655 56.400 -0.037 0.000 0.809 132 E CB -0.272 29.418 29.700 -0.017 0.000 0.749 132 E HN 0.496 nan 8.360 nan 0.000 0.450 133 E N -0.837 119.374 120.200 0.018 0.000 2.106 133 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 133 E C 1.914 178.553 176.600 0.065 0.000 0.984 133 E CA 1.138 57.590 56.400 0.086 0.000 0.806 133 E CB -0.691 29.103 29.700 0.157 0.000 0.750 133 E HN 0.572 nan 8.360 nan 0.000 0.458 134 G N 0.082 108.881 108.800 -0.001 0.000 2.421 134 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.216 134 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.216 134 G C 1.829 176.703 174.900 -0.043 0.000 1.171 134 G CA 1.151 46.238 45.100 -0.022 0.000 0.775 134 G HN 0.650 nan 8.290 nan 0.000 0.543 135 A N 0.727 123.500 122.820 -0.079 0.000 1.908 135 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 135 A C 2.354 179.858 177.584 -0.133 0.000 1.181 135 A CA 2.269 54.244 52.037 -0.103 0.000 0.627 135 A CB -0.400 18.537 19.000 -0.105 0.000 0.818 135 A HN 0.321 nan 8.150 nan 0.000 0.445 136 R N -1.739 118.639 120.500 -0.204 0.000 2.075 136 R HA -0.084 4.255 4.340 -0.001 0.000 0.232 136 R C 1.152 177.122 176.300 -0.550 0.000 1.126 136 R CA 1.919 57.752 56.100 -0.446 0.000 0.963 136 R CB -0.509 29.384 30.300 -0.678 0.000 0.858 136 R HN 0.594 nan 8.270 nan 0.000 0.435 137 Y N -2.745 117.581 120.300 0.044 0.000 2.467 137 Y HA 0.499 5.048 4.550 -0.001 0.000 0.259 137 Y C 0.328 176.274 175.900 0.078 0.000 1.084 137 Y CA 0.086 58.226 58.100 0.067 0.000 1.275 137 Y CB 1.458 39.949 38.460 0.052 0.000 1.208 137 Y HN 0.139 nan 8.280 nan 0.000 0.511 138 G N 1.480 110.369 108.800 0.149 0.000 2.110 138 G HA2 0.268 4.227 3.960 -0.001 0.000 0.218 138 G HA3 0.268 4.227 3.960 -0.001 0.000 0.218 138 G C -3.467 171.451 174.900 0.030 0.000 2.460 138 G CA -0.882 44.271 45.100 0.089 0.000 0.838 138 G HN -0.251 nan 8.290 nan 0.000 0.534 139 P HA 0.536 nan 4.420 nan 0.000 0.283 139 P C 0.186 177.469 177.300 -0.028 0.000 1.271 139 P CA -0.518 62.552 63.100 -0.050 0.000 0.841 139 P CB 1.807 33.447 31.700 -0.099 0.000 1.122 140 S N 0.770 116.460 115.700 -0.017 0.000 2.505 140 S HA 0.361 4.830 4.470 -0.001 0.000 0.276 140 S C -0.364 174.233 174.600 -0.005 0.000 1.274 140 S CA -0.377 57.843 58.200 0.033 0.000 1.053 140 S CB -1.013 62.245 63.200 0.096 0.000 0.919 140 S HN 0.221 nan 8.310 nan 0.000 0.490 141 L N 5.491 126.728 121.223 0.022 0.000 2.356 141 L HA 0.525 4.864 4.340 -0.001 0.000 0.277 141 L C -0.550 176.343 176.870 0.038 0.000 0.996 141 L CA -0.374 54.481 54.840 0.025 0.000 0.822 141 L CB 1.753 43.838 42.059 0.043 0.000 1.256 141 L HN 0.618 nan 8.230 nan 0.000 0.413 142 M N 4.998 124.587 119.600 -0.020 0.000 2.182 142 M HA 0.325 4.804 4.480 -0.001 0.000 0.285 142 M C -2.581 173.552 176.300 -0.279 0.000 0.956 142 M CA -1.508 53.708 55.300 -0.141 0.000 0.878 142 M CB 1.130 33.669 32.600 -0.102 0.000 1.373 142 M HN 0.141 nan 8.290 nan 0.000 0.393 143 P HA 0.434 nan 4.420 nan 0.000 0.281 143 P C -0.124 176.459 177.300 -1.195 0.000 1.252 143 P CA 0.000 62.781 63.100 -0.533 0.000 0.778 143 P CB 1.359 32.868 31.700 -0.318 0.000 0.895 144 G N 0.699 108.804 108.800 -1.158 0.000 2.725 144 G HA2 0.750 4.709 3.960 -0.001 0.000 0.288 144 G HA3 0.750 4.709 3.960 -0.001 0.000 0.288 144 G C -0.427 174.019 174.900 -0.756 0.000 1.399 144 G CA -0.514 43.723 45.100 -1.438 0.000 0.859 144 G HN 0.752 nan 8.290 nan 0.000 0.479 145 G N -0.053 108.550 108.800 -0.330 0.000 2.246 145 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.196 145 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.196 145 G C -0.625 174.470 174.900 0.325 0.000 1.180 145 G CA 0.011 45.146 45.100 0.058 0.000 1.291 145 G HN 1.084 nan 8.290 nan 0.000 0.508 146 N N 1.499 120.379 118.700 0.301 0.000 2.439 146 N HA 0.249 4.988 4.740 -0.001 0.000 0.243 146 N C 1.032 176.569 175.510 0.045 0.000 1.088 146 N CA 0.005 53.168 53.050 0.188 0.000 0.940 146 N CB 1.280 39.855 38.487 0.147 0.000 1.180 146 N HN 0.621 nan 8.380 nan 0.000 0.505 147 K N 2.264 122.588 120.400 -0.126 0.000 2.442 147 K HA -0.123 4.197 4.320 -0.001 0.000 0.198 147 K C 1.210 177.541 176.600 -0.448 0.000 1.044 147 K CA 0.798 56.649 56.287 -0.727 0.000 0.948 147 K CB 0.230 32.297 32.500 -0.722 0.000 0.762 147 K HN 0.612 nan 8.250 nan 0.000 0.472 148 E N -0.202 119.882 120.200 -0.194 0.000 2.265 148 E HA -0.178 4.171 4.350 -0.001 0.000 0.196 148 E C 1.414 177.975 176.600 -0.065 0.000 0.996 148 E CA 0.863 57.198 56.400 -0.109 0.000 0.832 148 E CB 0.040 29.726 29.700 -0.023 0.000 0.756 148 E HN 0.404 nan 8.360 nan 0.000 0.491 149 A N 1.083 123.864 122.820 -0.065 0.000 2.021 149 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 149 A C 1.898 179.438 177.584 -0.073 0.000 1.163 149 A CA 0.508 52.558 52.037 0.022 0.000 0.676 149 A CB -1.031 17.988 19.000 0.032 0.000 0.818 149 A HN 0.692 nan 8.150 nan 0.000 0.453 150 W N 1.743 122.759 121.300 -0.473 0.000 2.318 150 W HA -0.172 4.487 4.660 -0.002 0.000 0.313 150 W C -1.410 174.895 176.519 -0.357 0.000 1.221 150 W CA 2.127 59.180 57.345 -0.486 0.000 1.266 150 W CB -1.028 27.936 29.460 -0.826 0.000 1.150 150 W HN 0.277 nan 8.180 nan 0.000 0.496 151 P HA -0.159 nan 4.420 nan 0.000 0.219 151 P C 0.489 177.430 177.300 -0.597 0.000 1.146 151 P CA 2.017 64.725 63.100 -0.653 0.000 0.808 151 P CB -0.419 30.917 31.700 -0.606 0.000 0.779 152 H N -1.703 117.204 119.070 -0.273 0.000 2.548 152 H HA 0.167 4.722 4.556 -0.001 0.000 0.265 152 H C 1.727 176.912 175.328 -0.238 0.000 0.969 152 H CA 0.432 56.354 56.048 -0.210 0.000 1.155 152 H CB -0.200 29.476 29.762 -0.143 0.000 1.394 152 H HN 0.243 nan 8.280 nan 0.000 0.570 153 I N -2.567 117.846 120.570 -0.262 0.000 4.526 153 I HA 0.187 4.356 4.170 -0.001 0.000 0.330 153 I C 1.741 177.618 176.117 -0.400 0.000 1.323 153 I CA -0.025 61.106 61.300 -0.283 0.000 1.218 153 I CB 0.263 38.047 38.000 -0.361 0.000 1.233 153 I HN -0.099 nan 8.210 nan 0.000 0.430 154 K N 1.870 121.824 120.400 -0.744 0.000 2.044 154 K HA -0.160 4.159 4.320 -0.001 0.000 0.210 154 K C 1.778 178.152 176.600 -0.377 0.000 1.049 154 K CA 2.711 58.402 56.287 -0.993 0.000 0.927 154 K CB -0.175 31.543 32.500 -1.302 0.000 0.713 154 K HN 0.417 nan 8.250 nan 0.000 0.443 155 T N 1.447 115.846 114.554 -0.259 0.000 2.708 155 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 155 T C 1.885 176.573 174.700 -0.021 0.000 1.037 155 T CA 1.544 63.591 62.100 -0.089 0.000 1.146 155 T CB -0.138 68.710 68.868 -0.034 0.000 0.865 155 T HN 0.198 nan 8.240 nan 0.000 0.435 156 I N -0.308 120.180 120.570 -0.136 0.000 2.233 156 I HA -0.075 4.094 4.170 -0.001 0.000 0.243 156 I C 2.124 178.215 176.117 -0.043 0.000 1.093 156 I CA 1.376 62.503 61.300 -0.289 0.000 1.380 156 I CB -0.387 37.301 38.000 -0.520 0.000 1.067 156 I HN 0.174 nan 8.210 nan 0.000 0.413 157 F N 1.202 121.055 119.950 -0.162 0.000 2.075 157 F HA -0.272 4.254 4.527 -0.002 0.000 0.297 157 F C 2.811 178.604 175.800 -0.011 0.000 1.113 157 F CA 1.537 59.507 58.000 -0.049 0.000 1.218 157 F CB -0.235 38.807 39.000 0.071 0.000 0.984 157 F HN 0.054 nan 8.300 nan 0.000 0.472 158 Q N -0.371 119.538 119.800 0.182 0.000 2.291 158 Q HA -0.093 4.246 4.340 -0.001 0.000 0.205 158 Q C 2.469 178.499 176.000 0.050 0.000 0.970 158 Q CA 0.912 56.789 55.803 0.124 0.000 0.876 158 Q CB -0.491 28.317 28.738 0.117 0.000 0.935 158 Q HN 0.539 nan 8.270 nan 0.000 0.455 159 G N 1.983 110.799 108.800 0.027 0.000 2.421 159 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 159 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 159 G C 1.470 176.208 174.900 -0.271 0.000 1.171 159 G CA 0.939 46.038 45.100 -0.002 0.000 0.775 159 G HN 0.507 nan 8.290 nan 0.000 0.543 160 I N -1.272 119.100 120.570 -0.331 0.000 3.728 160 I HA 0.560 4.730 4.170 -0.001 0.000 0.307 160 I C 1.268 177.279 176.117 -0.176 0.000 1.276 160 I CA -0.273 60.741 61.300 -0.477 0.000 1.285 160 I CB -0.025 37.778 38.000 -0.328 0.000 1.038 160 I HN 0.091 nan 8.210 nan 0.000 0.445 161 A N 2.075 124.838 122.820 -0.096 0.000 2.425 161 A HA 0.631 4.950 4.320 -0.001 0.000 0.242 161 A C 0.850 178.453 177.584 0.032 0.000 1.077 161 A CA 0.165 52.188 52.037 -0.024 0.000 0.781 161 A CB 0.071 19.085 19.000 0.024 0.000 1.020 161 A HN 0.554 nan 8.150 nan 0.000 0.494 162 A N 2.199 125.045 122.820 0.045 0.000 2.561 162 A HA 0.396 4.715 4.320 -0.001 0.000 0.234 162 A C 0.329 177.959 177.584 0.077 0.000 1.055 162 A CA 0.329 52.409 52.037 0.070 0.000 0.756 162 A CB -0.045 18.994 19.000 0.065 0.000 0.986 162 A HN 0.646 nan 8.150 nan 0.000 0.505 163 K N 1.143 121.592 120.400 0.082 0.000 2.164 163 K HA 0.560 4.880 4.320 -0.001 0.000 0.258 163 K C -0.223 176.421 176.600 0.073 0.000 0.951 163 K CA -0.491 55.842 56.287 0.078 0.000 0.844 163 K CB 1.628 34.175 32.500 0.079 0.000 1.099 163 K HN 0.748 nan 8.250 nan 0.000 0.435 164 V N -1.710 118.246 119.914 0.070 0.000 2.919 164 V HA 0.742 4.861 4.120 -0.001 0.000 0.316 164 V C 1.149 177.277 176.094 0.057 0.000 1.077 164 V CA 0.112 62.452 62.300 0.067 0.000 0.977 164 V CB 1.068 32.935 31.823 0.073 0.000 1.039 164 V HN 0.905 nan 8.190 nan 0.000 0.441 165 G N 2.078 110.909 108.800 0.052 0.000 2.713 165 G HA2 -0.453 3.506 3.960 -0.001 0.000 0.368 165 G HA3 -0.453 3.506 3.960 -0.001 0.000 0.368 165 G C 1.161 176.086 174.900 0.041 0.000 1.095 165 G CA 2.211 47.338 45.100 0.045 0.000 0.935 165 G HN 2.223 nan 8.290 nan 0.000 0.696 166 T N 0.300 114.879 114.554 0.041 0.000 3.160 166 T HA 0.499 4.848 4.350 -0.001 0.000 0.257 166 T C 2.623 177.348 174.700 0.041 0.000 1.147 166 T CA 1.947 64.070 62.100 0.038 0.000 1.064 166 T CB -0.415 68.475 68.868 0.035 0.000 0.949 166 T HN 2.547 nan 8.240 nan 0.000 0.526 167 G N 1.591 110.420 108.800 0.047 0.000 2.159 167 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.227 167 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.227 167 G C -0.095 174.840 174.900 0.059 0.000 0.986 167 G CA 0.072 45.203 45.100 0.053 0.000 0.651 167 G HN 0.892 nan 8.290 nan 0.000 0.523 168 E N 0.821 121.056 120.200 0.058 0.000 2.360 168 E HA 0.418 4.767 4.350 -0.001 0.000 0.269 168 E C -2.790 173.853 176.600 0.072 0.000 1.022 168 E CA -1.955 54.483 56.400 0.064 0.000 0.887 168 E CB 1.160 30.895 29.700 0.059 0.000 0.990 168 E HN 0.220 nan 8.360 nan 0.000 0.426 169 P HA 0.106 nan 4.420 nan 0.000 0.279 169 P C -0.502 176.853 177.300 0.091 0.000 1.239 169 P CA -0.583 62.571 63.100 0.089 0.000 0.789 169 P CB 0.678 32.441 31.700 0.105 0.000 0.933 170 C N 3.229 122.581 119.300 0.086 0.000 3.057 170 C HA 0.369 4.828 4.460 -0.001 0.000 0.563 170 C C 0.500 175.542 174.990 0.088 0.000 1.129 170 C CA -0.085 58.984 59.018 0.086 0.000 1.284 170 C CB -2.013 25.784 27.740 0.096 0.000 1.532 170 C HN 0.626 nan 8.230 nan 0.000 0.631 171 C N 2.607 121.970 119.300 0.105 0.000 3.073 171 C HA 0.524 4.983 4.460 -0.001 0.000 0.412 171 C C -1.716 173.389 174.990 0.191 0.000 1.040 171 C CA -0.258 58.850 59.018 0.151 0.000 1.254 171 C CB 0.050 27.931 27.740 0.234 0.000 1.642 171 C HN 0.723 nan 8.230 nan 0.000 0.530 172 D N 2.568 122.994 120.400 0.043 0.000 2.583 172 D HA 0.322 4.961 4.640 -0.001 0.000 0.248 172 D C -1.206 174.848 176.300 -0.410 0.000 1.209 172 D CA -0.219 53.757 54.000 -0.040 0.000 0.848 172 D CB 1.839 42.635 40.800 -0.005 0.000 1.431 172 D HN 0.778 nan 8.370 nan 0.000 0.436 173 W N 2.991 123.708 121.300 -0.972 0.000 2.397 173 W HA 0.084 4.743 4.660 -0.002 0.000 0.327 173 W C 0.173 176.335 176.519 -0.595 0.000 1.421 173 W CA -0.239 56.447 57.345 -1.098 0.000 1.288 173 W CB 0.823 29.491 29.460 -1.321 0.000 1.312 173 W HN 0.134 nan 8.180 nan 0.000 0.559 174 V N 6.246 125.497 119.914 -1.104 0.000 2.379 174 V HA 0.204 4.323 4.120 -0.001 0.000 0.243 174 V C 1.194 176.827 176.094 -0.769 0.000 1.035 174 V CA 1.886 63.710 62.300 -0.794 0.000 1.035 174 V CB -0.509 30.883 31.823 -0.719 0.000 0.673 174 V HN 0.813 nan 8.190 nan 0.000 0.457 175 G N -1.004 107.124 108.800 -1.120 0.000 2.327 175 G HA2 0.203 4.162 3.960 -0.001 0.000 0.291 175 G HA3 0.203 4.162 3.960 -0.001 0.000 0.291 175 G C -2.063 172.528 174.900 -0.516 0.000 1.290 175 G CA -0.402 44.338 45.100 -0.600 0.000 0.857 175 G HN 0.009 nan 8.290 nan 0.000 0.520 176 D N 0.522 120.761 120.400 -0.268 0.000 2.372 176 D HA 0.426 5.065 4.640 -0.001 0.000 0.243 176 D C 1.199 177.342 176.300 -0.263 0.000 1.121 176 D CA 0.928 54.877 54.000 -0.085 0.000 0.898 176 D CB 0.718 41.585 40.800 0.113 0.000 1.202 176 D HN 0.644 nan 8.370 nan 0.000 0.428 177 E N 0.962 121.134 120.200 -0.048 0.000 3.289 177 E HA -0.288 4.062 4.350 -0.001 0.000 0.386 177 E C 1.163 177.684 176.600 -0.132 0.000 1.526 177 E CA 1.446 57.851 56.400 0.008 0.000 1.519 177 E CB -1.328 28.461 29.700 0.147 0.000 1.657 177 E HN 0.578 nan 8.360 nan 0.000 0.479 178 G N -0.034 108.736 108.800 -0.051 0.000 2.848 178 G HA2 0.171 4.131 3.960 -0.001 0.000 0.208 178 G HA3 0.171 4.131 3.960 -0.001 0.000 0.208 178 G C 1.238 175.877 174.900 -0.435 0.000 1.152 178 G CA 1.009 46.094 45.100 -0.024 0.000 0.789 178 G HN 0.570 nan 8.290 nan 0.000 0.531 179 A N 1.061 123.187 122.820 -1.155 0.000 1.908 179 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 179 A C 2.666 179.834 177.584 -0.694 0.000 1.181 179 A CA 2.110 53.238 52.037 -1.515 0.000 0.627 179 A CB -0.945 17.032 19.000 -1.705 0.000 0.818 179 A HN 0.471 nan 8.150 nan 0.000 0.445 180 G N -1.278 107.132 108.800 -0.650 0.000 2.446 180 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 180 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 180 G C 1.415 176.149 174.900 -0.277 0.000 1.168 180 G CA 1.286 46.071 45.100 -0.524 0.000 0.771 180 G HN 0.780 nan 8.290 nan 0.000 0.551 181 H N -1.749 117.244 119.070 -0.127 0.000 2.495 181 H HA 0.092 4.647 4.556 -0.001 0.000 0.287 181 H C 2.056 177.423 175.328 0.065 0.000 1.033 181 H CA 0.569 56.620 56.048 0.003 0.000 1.307 181 H CB 0.021 29.821 29.762 0.064 0.000 1.401 181 H HN 0.374 nan 8.280 nan 0.000 0.555 182 F N 0.456 120.415 119.950 0.016 0.000 2.084 182 F HA -0.189 4.337 4.527 -0.001 0.000 0.296 182 F C 2.168 177.966 175.800 -0.002 0.000 1.111 182 F CA 0.880 58.858 58.000 -0.036 0.000 1.224 182 F CB -0.482 38.437 39.000 -0.135 0.000 0.991 182 F HN -0.126 nan 8.300 nan 0.000 0.471 183 V N 0.758 120.783 119.914 0.185 0.000 2.324 183 V HA -0.357 3.762 4.120 -0.001 0.000 0.250 183 V C 2.392 178.583 176.094 0.161 0.000 1.060 183 V CA 2.317 64.708 62.300 0.153 0.000 1.042 183 V CB -0.787 31.062 31.823 0.043 0.000 0.650 183 V HN 0.274 nan 8.190 nan 0.000 0.450 184 K N 0.263 120.719 120.400 0.094 0.000 2.097 184 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 184 K C 2.113 178.737 176.600 0.041 0.000 1.049 184 K CA 1.938 58.265 56.287 0.067 0.000 0.933 184 K CB -0.492 32.050 32.500 0.070 0.000 0.717 184 K HN 0.443 nan 8.250 nan 0.000 0.442 185 M N -0.208 119.387 119.600 -0.008 0.000 2.086 185 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 185 M C 1.679 177.879 176.300 -0.167 0.000 1.067 185 M CA 1.771 57.023 55.300 -0.080 0.000 1.116 185 M CB -0.074 32.444 32.600 -0.136 0.000 1.348 185 M HN 0.051 nan 8.290 nan 0.000 0.407 186 V N 0.401 120.188 119.914 -0.211 0.000 2.332 186 V HA -0.334 3.785 4.120 -0.001 0.000 0.248 186 V C 2.630 178.615 176.094 -0.182 0.000 1.055 186 V CA 2.318 64.512 62.300 -0.177 0.000 1.038 186 V CB -1.440 30.333 31.823 -0.084 0.000 0.651 186 V HN 0.641 nan 8.190 nan 0.000 0.450 187 H N 1.003 119.922 119.070 -0.251 0.000 2.321 187 H HA -0.216 4.339 4.556 -0.001 0.000 0.295 187 H C 2.130 177.214 175.328 -0.408 0.000 1.102 187 H CA 2.424 58.150 56.048 -0.538 0.000 1.266 187 H CB -0.165 29.296 29.762 -0.502 0.000 1.363 187 H HN 0.397 nan 8.280 nan 0.000 0.492 188 N N 0.171 118.825 118.700 -0.077 0.000 2.331 188 N HA -0.063 4.676 4.740 -0.001 0.000 0.180 188 N C 2.173 177.545 175.510 -0.230 0.000 1.019 188 N CA 0.968 53.962 53.050 -0.093 0.000 0.881 188 N CB -0.782 37.688 38.487 -0.029 0.000 0.972 188 N HN 0.521 nan 8.380 nan 0.000 0.435 189 G N 1.262 109.878 108.800 -0.307 0.000 2.433 189 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 189 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 189 G C 1.569 176.323 174.900 -0.243 0.000 1.186 189 G CA 0.445 45.354 45.100 -0.319 0.000 0.779 189 G HN 0.263 nan 8.290 nan 0.000 0.543 190 I N 0.624 120.998 120.570 -0.327 0.000 2.208 190 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 190 I C 2.696 178.624 176.117 -0.315 0.000 1.097 190 I CA 1.642 62.708 61.300 -0.392 0.000 1.363 190 I CB -0.281 37.312 38.000 -0.679 0.000 1.051 190 I HN 0.348 nan 8.210 nan 0.000 0.413 191 E N 0.880 120.874 120.200 -0.343 0.000 2.038 191 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 191 E C 2.345 178.923 176.600 -0.036 0.000 1.000 191 E CA 1.609 57.877 56.400 -0.219 0.000 0.803 191 E CB -0.300 29.241 29.700 -0.265 0.000 0.750 191 E HN 0.508 nan 8.360 nan 0.000 0.448 192 Y N 0.208 120.391 120.300 -0.194 0.000 2.151 192 Y HA -0.236 4.313 4.550 -0.002 0.000 0.284 192 Y C 2.503 178.330 175.900 -0.123 0.000 1.166 192 Y CA 0.995 59.007 58.100 -0.146 0.000 1.163 192 Y CB -0.450 37.919 38.460 -0.150 0.000 0.974 192 Y HN 0.250 nan 8.280 nan 0.000 0.511 193 G N -0.537 108.289 108.800 0.043 0.000 2.433 193 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 193 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 193 G C 1.320 176.203 174.900 -0.029 0.000 1.186 193 G CA 1.222 46.315 45.100 -0.012 0.000 0.779 193 G HN 0.272 nan 8.290 nan 0.000 0.543 194 D N 0.425 120.809 120.400 -0.027 0.000 2.116 194 D HA -0.103 4.536 4.640 -0.001 0.000 0.193 194 D C 2.672 178.960 176.300 -0.020 0.000 0.998 194 D CA 1.022 55.023 54.000 0.002 0.000 0.836 194 D CB -0.190 40.624 40.800 0.023 0.000 0.951 194 D HN 0.293 nan 8.370 nan 0.000 0.449 195 M N -0.024 119.546 119.600 -0.051 0.000 2.108 195 M HA -0.222 4.257 4.480 -0.001 0.000 0.261 195 M C 2.253 178.515 176.300 -0.063 0.000 1.066 195 M CA 1.325 56.578 55.300 -0.079 0.000 1.107 195 M CB -0.141 32.377 32.600 -0.136 0.000 1.356 195 M HN -0.096 nan 8.290 nan 0.000 0.406 196 Q N 0.974 120.740 119.800 -0.056 0.000 2.079 196 Q HA -0.066 4.274 4.340 -0.001 0.000 0.200 196 Q C 1.762 177.740 176.000 -0.036 0.000 0.974 196 Q CA 1.636 57.419 55.803 -0.033 0.000 0.840 196 Q CB -0.462 28.266 28.738 -0.016 0.000 0.898 196 Q HN 0.530 nan 8.270 nan 0.000 0.430 197 L N -0.156 121.002 121.223 -0.107 0.000 2.013 197 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 197 L C 2.408 179.251 176.870 -0.045 0.000 1.073 197 L CA 1.405 56.087 54.840 -0.264 0.000 0.753 197 L CB -0.543 41.340 42.059 -0.293 0.000 0.890 197 L HN 0.314 nan 8.230 nan 0.000 0.432 198 I N -0.930 119.677 120.570 0.062 0.000 2.208 198 I HA -0.351 3.818 4.170 -0.001 0.000 0.245 198 I C 2.658 178.926 176.117 0.252 0.000 1.097 198 I CA 1.216 62.634 61.300 0.197 0.000 1.363 198 I CB -0.418 37.613 38.000 0.052 0.000 1.051 198 I HN 0.407 nan 8.210 nan 0.000 0.413 199 C N 0.606 119.993 119.300 0.145 0.000 2.425 199 C HA -0.144 4.315 4.460 -0.001 0.000 0.277 199 C C 2.641 177.846 174.990 0.358 0.000 1.280 199 C CA 0.830 59.977 59.018 0.215 0.000 1.744 199 C CB -1.105 26.697 27.740 0.102 0.000 1.989 199 C HN 0.501 nan 8.230 nan 0.000 0.491 200 E N 0.947 121.344 120.200 0.328 0.000 2.072 200 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 200 E C 2.394 179.341 176.600 0.579 0.000 0.985 200 E CA 1.210 57.886 56.400 0.461 0.000 0.801 200 E CB -0.250 29.735 29.700 0.474 0.000 0.750 200 E HN 0.656 nan 8.360 nan 0.000 0.452 201 A N 0.943 124.160 122.820 0.661 0.000 1.902 201 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 201 A C 2.080 179.965 177.584 0.501 0.000 1.181 201 A CA 1.556 53.946 52.037 0.589 0.000 0.623 201 A CB -0.844 18.558 19.000 0.669 0.000 0.818 201 A HN 0.458 nan 8.150 nan 0.000 0.443 202 Y N -0.274 120.295 120.300 0.449 0.000 2.181 202 Y HA -0.279 4.270 4.550 -0.001 0.000 0.288 202 Y C 2.249 178.321 175.900 0.287 0.000 1.146 202 Y CA 2.253 60.570 58.100 0.362 0.000 1.164 202 Y CB -0.811 37.818 38.460 0.281 0.000 0.982 202 Y HN 0.593 nan 8.280 nan 0.000 0.515 203 H N -0.464 118.630 119.070 0.039 0.000 2.353 203 H HA -0.151 4.404 4.556 -0.001 0.000 0.300 203 H C 2.138 177.428 175.328 -0.064 0.000 1.090 203 H CA 1.464 57.450 56.048 -0.103 0.000 1.327 203 H CB -0.077 29.716 29.762 0.052 0.000 1.383 203 H HN 0.389 nan 8.280 nan 0.000 0.508 204 L N -0.080 121.225 121.223 0.136 0.000 2.046 204 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 204 L C 2.679 179.580 176.870 0.052 0.000 1.077 204 L CA 1.161 56.041 54.840 0.068 0.000 0.747 204 L CB -0.270 41.862 42.059 0.121 0.000 0.896 204 L HN 0.397 nan 8.230 nan 0.000 0.432 205 M N -0.594 119.044 119.600 0.062 0.000 2.117 205 M HA -0.249 4.230 4.480 -0.001 0.000 0.262 205 M C 2.364 178.635 176.300 -0.048 0.000 1.065 205 M CA 1.777 57.086 55.300 0.015 0.000 1.114 205 M CB -0.303 32.309 32.600 0.020 0.000 1.361 205 M HN 0.102 nan 8.290 nan 0.000 0.408 206 K N 0.054 120.383 120.400 -0.118 0.000 2.031 206 K HA -0.140 4.179 4.320 -0.001 0.000 0.205 206 K C 0.924 177.486 176.600 -0.063 0.000 1.049 206 K CA 1.542 57.743 56.287 -0.144 0.000 0.939 206 K CB 0.221 32.521 32.500 -0.333 0.000 0.717 206 K HN 0.166 nan 8.250 nan 0.000 0.438 207 D N -0.807 119.569 120.400 -0.040 0.000 2.388 207 D HA 0.010 4.649 4.640 -0.001 0.000 0.208 207 D C 1.562 177.830 176.300 -0.053 0.000 1.035 207 D CA 0.341 54.320 54.000 -0.034 0.000 0.875 207 D CB 0.733 41.508 40.800 -0.042 0.000 0.984 207 D HN -0.014 nan 8.370 nan 0.000 0.508 208 V N 0.350 120.214 119.914 -0.083 0.000 2.492 208 V HA 0.049 4.168 4.120 -0.001 0.000 0.241 208 V C 2.093 178.057 176.094 -0.218 0.000 1.041 208 V CA 0.723 62.955 62.300 -0.114 0.000 1.057 208 V CB 0.030 31.748 31.823 -0.176 0.000 0.711 208 V HN 0.132 nan 8.190 nan 0.000 0.468 209 L N 0.632 121.731 121.223 -0.206 0.000 2.558 209 L HA 0.306 4.645 4.340 -0.001 0.000 0.225 209 L C 1.673 178.495 176.870 -0.081 0.000 1.128 209 L CA 0.804 55.514 54.840 -0.217 0.000 0.868 209 L CB -0.577 41.404 42.059 -0.129 0.000 1.006 209 L HN 0.583 nan 8.230 nan 0.000 0.454 210 G N 1.252 110.021 108.800 -0.051 0.000 2.305 210 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.287 210 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.287 210 G C 0.243 175.134 174.900 -0.015 0.000 1.036 210 G CA 0.203 45.291 45.100 -0.019 0.000 0.887 210 G HN 0.287 nan 8.290 nan 0.000 0.505 211 M N 0.163 119.748 119.600 -0.025 0.000 2.241 211 M HA 0.543 5.022 4.480 -0.001 0.000 0.335 211 M C 0.954 177.247 176.300 -0.012 0.000 1.122 211 M CA 0.225 55.514 55.300 -0.017 0.000 1.164 211 M CB 1.000 33.585 32.600 -0.025 0.000 1.459 211 M HN 0.423 nan 8.290 nan 0.000 0.461 212 A N 1.737 124.554 122.820 -0.005 0.000 2.304 212 A HA 0.233 4.552 4.320 -0.001 0.000 0.271 212 A C 0.709 178.281 177.584 -0.020 0.000 1.091 212 A CA -0.531 51.503 52.037 -0.004 0.000 0.812 212 A CB 0.550 19.555 19.000 0.009 0.000 1.056 212 A HN 0.953 nan 8.150 nan 0.000 0.489 213 Q N 0.397 120.156 119.800 -0.068 0.000 1.998 213 Q HA -0.222 4.118 4.340 -0.001 0.000 0.209 213 Q C 1.083 177.022 176.000 -0.100 0.000 1.002 213 Q CA 2.625 58.334 55.803 -0.157 0.000 0.858 213 Q CB -0.167 28.222 28.738 -0.581 0.000 0.932 213 Q HN 0.823 nan 8.270 nan 0.000 0.416 214 D N -0.273 120.086 120.400 -0.069 0.000 2.178 214 D HA -0.154 4.485 4.640 -0.001 0.000 0.201 214 D C 1.630 177.930 176.300 -0.001 0.000 0.980 214 D CA 0.832 54.839 54.000 0.012 0.000 0.842 214 D CB -0.125 40.722 40.800 0.079 0.000 0.948 214 D HN 0.361 nan 8.370 nan 0.000 0.472 215 E N -0.120 120.074 120.200 -0.010 0.000 2.072 215 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 215 E C 2.097 178.662 176.600 -0.059 0.000 0.985 215 E CA 0.663 57.046 56.400 -0.028 0.000 0.801 215 E CB 0.080 29.767 29.700 -0.021 0.000 0.750 215 E HN 0.222 nan 8.360 nan 0.000 0.452 216 M N 0.107 119.690 119.600 -0.028 0.000 2.132 216 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 216 M C 2.493 178.813 176.300 0.034 0.000 1.065 216 M CA 1.224 56.513 55.300 -0.019 0.000 1.122 216 M CB -0.220 32.461 32.600 0.135 0.000 1.365 216 M HN 0.144 nan 8.290 nan 0.000 0.411 217 A N 0.329 123.182 122.820 0.056 0.000 1.884 217 A HA -0.305 4.014 4.320 -0.001 0.000 0.219 217 A C 2.041 179.624 177.584 -0.001 0.000 1.197 217 A CA 2.397 54.465 52.037 0.052 0.000 0.637 217 A CB -0.925 18.090 19.000 0.024 0.000 0.827 217 A HN 0.484 nan 8.150 nan 0.000 0.450 218 Q N -0.433 119.337 119.800 -0.051 0.000 2.084 218 Q HA -0.034 4.305 4.340 -0.001 0.000 0.202 218 Q C 2.096 177.975 176.000 -0.201 0.000 0.978 218 Q CA 2.250 58.002 55.803 -0.086 0.000 0.844 218 Q CB -0.694 28.004 28.738 -0.067 0.000 0.898 218 Q HN 0.589 nan 8.270 nan 0.000 0.426 219 A N -0.478 122.131 122.820 -0.352 0.000 1.892 219 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 219 A C 1.936 178.850 177.584 -1.116 0.000 1.188 219 A CA 1.710 53.281 52.037 -0.776 0.000 0.631 219 A CB -1.066 17.343 19.000 -0.986 0.000 0.822 219 A HN 0.477 nan 8.150 nan 0.000 0.447 220 F N -0.273 119.256 119.950 -0.701 0.000 2.146 220 F HA -0.093 4.433 4.527 -0.001 0.000 0.298 220 F C 2.348 178.037 175.800 -0.186 0.000 1.096 220 F CA 1.610 59.350 58.000 -0.434 0.000 1.275 220 F CB -0.416 38.445 39.000 -0.231 0.000 1.008 220 F HN 0.400 nan 8.300 nan 0.000 0.480 221 E N 0.275 120.482 120.200 0.012 0.000 2.085 221 E HA -0.237 4.112 4.350 -0.001 0.000 0.194 221 E C 1.639 178.251 176.600 0.020 0.000 0.994 221 E CA 1.710 58.120 56.400 0.017 0.000 0.801 221 E CB -0.047 29.650 29.700 -0.004 0.000 0.743 221 E HN 0.312 nan 8.360 nan 0.000 0.453 222 D N -0.318 120.060 120.400 -0.037 0.000 2.103 222 D HA -0.150 4.489 4.640 -0.001 0.000 0.199 222 D C 1.607 178.020 176.300 0.188 0.000 0.978 222 D CA 0.706 54.728 54.000 0.038 0.000 0.829 222 D CB -0.466 40.337 40.800 0.004 0.000 0.981 222 D HN 0.380 nan 8.370 nan 0.000 0.464 223 W N 1.558 122.843 121.300 -0.023 0.000 2.350 223 W HA -0.101 4.558 4.660 -0.002 0.000 0.289 223 W C 1.990 178.506 176.519 -0.005 0.000 1.215 223 W CA 0.436 57.762 57.345 -0.032 0.000 1.236 223 W CB -1.513 27.924 29.460 -0.039 0.000 1.130 223 W HN 0.063 nan 8.180 nan 0.000 0.541 224 N N 0.416 119.268 118.700 0.252 0.000 2.573 224 N HA -0.121 4.619 4.740 -0.001 0.000 0.187 224 N C 1.300 176.864 175.510 0.091 0.000 1.107 224 N CA 0.997 54.137 53.050 0.150 0.000 0.918 224 N CB -0.142 38.412 38.487 0.112 0.000 0.966 224 N HN 0.080 nan 8.380 nan 0.000 0.448 225 K N -1.308 119.145 120.400 0.088 0.000 2.356 225 K HA 0.086 4.405 4.320 -0.001 0.000 0.195 225 K C 0.901 177.519 176.600 0.031 0.000 1.037 225 K CA 0.761 57.080 56.287 0.053 0.000 1.014 225 K CB 0.446 32.976 32.500 0.050 0.000 0.815 225 K HN 0.285 nan 8.250 nan 0.000 0.507 226 T N -1.468 113.098 114.554 0.019 0.000 2.747 226 T HA 0.155 4.504 4.350 -0.001 0.000 0.236 226 T C 1.100 175.747 174.700 -0.088 0.000 1.046 226 T CA -0.557 61.519 62.100 -0.040 0.000 1.054 226 T CB -0.092 68.731 68.868 -0.074 0.000 2.287 226 T HN -0.200 nan 8.240 nan 0.000 0.523 227 E N 0.768 120.829 120.200 -0.232 0.000 2.153 227 E HA 0.063 4.412 4.350 -0.001 0.000 0.194 227 E C 1.772 178.227 176.600 -0.241 0.000 0.988 227 E CA 0.678 56.858 56.400 -0.366 0.000 0.811 227 E CB -0.596 28.460 29.700 -1.073 0.000 0.746 227 E HN 0.411 nan 8.360 nan 0.000 0.466 228 L N 1.087 122.198 121.223 -0.186 0.000 2.599 228 L HA 0.011 4.350 4.340 -0.001 0.000 0.230 228 L C 0.528 177.425 176.870 0.047 0.000 1.141 228 L CA -0.306 54.531 54.840 -0.005 0.000 0.877 228 L CB -0.134 41.954 42.059 0.049 0.000 1.009 228 L HN 0.061 nan 8.230 nan 0.000 0.447 229 D N 1.733 122.144 120.400 0.018 0.000 2.536 229 D HA -0.003 4.636 4.640 -0.001 0.000 0.260 229 D C -0.062 176.244 176.300 0.010 0.000 1.270 229 D CA 0.646 54.663 54.000 0.029 0.000 0.934 229 D CB 0.367 41.180 40.800 0.021 0.000 1.129 229 D HN 0.285 nan 8.370 nan 0.000 0.533 230 S N 2.550 118.277 115.700 0.044 0.000 2.595 230 S HA 0.165 4.635 4.470 -0.001 0.000 0.270 230 S C 0.450 175.110 174.600 0.099 0.000 1.145 230 S CA -0.915 57.322 58.200 0.062 0.000 0.825 230 S CB 0.170 63.393 63.200 0.040 0.000 1.107 230 S HN 0.221 nan 8.310 nan 0.000 0.461 231 F N 1.393 121.347 119.950 0.007 0.000 2.091 231 F HA -0.005 4.521 4.527 -0.001 0.000 0.299 231 F C 1.742 177.533 175.800 -0.015 0.000 1.103 231 F CA 1.951 59.953 58.000 0.002 0.000 1.228 231 F CB -0.421 38.581 39.000 0.003 0.000 0.984 231 F HN 0.602 nan 8.300 nan 0.000 0.477 232 L N -0.305 120.926 121.223 0.015 0.000 2.093 232 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 232 L C 2.453 179.219 176.870 -0.173 0.000 1.085 232 L CA 0.527 55.300 54.840 -0.111 0.000 0.755 232 L CB -0.648 41.421 42.059 0.017 0.000 0.904 232 L HN 0.190 nan 8.230 nan 0.000 0.435 233 I N 0.048 120.587 120.570 -0.051 0.000 2.179 233 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 233 I C 2.524 178.594 176.117 -0.078 0.000 1.088 233 I CA 1.476 62.784 61.300 0.013 0.000 1.357 233 I CB -1.011 37.100 38.000 0.184 0.000 1.051 233 I HN 0.426 nan 8.210 nan 0.000 0.409 234 E N 1.620 121.756 120.200 -0.108 0.000 2.048 234 E HA -0.266 4.084 4.350 -0.001 0.000 0.202 234 E C 2.321 178.773 176.600 -0.246 0.000 1.021 234 E CA 2.446 58.756 56.400 -0.149 0.000 0.825 234 E CB -0.260 29.344 29.700 -0.160 0.000 0.756 234 E HN 0.599 nan 8.360 nan 0.000 0.454 235 I N -1.205 119.111 120.570 -0.425 0.000 2.493 235 I HA -0.137 4.033 4.170 -0.001 0.000 0.254 235 I C 2.077 178.000 176.117 -0.323 0.000 1.160 235 I CA 1.489 62.545 61.300 -0.407 0.000 1.445 235 I CB -0.451 37.205 38.000 -0.573 0.000 1.086 235 I HN -0.003 nan 8.210 nan 0.000 0.433 236 T N 1.596 115.927 114.554 -0.371 0.000 2.746 236 T HA -0.038 4.311 4.350 -0.001 0.000 0.267 236 T C 2.170 176.635 174.700 -0.392 0.000 1.039 236 T CA 1.649 63.463 62.100 -0.476 0.000 1.142 236 T CB -0.304 68.108 68.868 -0.761 0.000 0.866 236 T HN 0.613 nan 8.240 nan 0.000 0.444 237 A N 2.507 125.171 122.820 -0.260 0.000 1.883 237 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 237 A C 2.236 179.775 177.584 -0.074 0.000 1.186 237 A CA 1.687 53.668 52.037 -0.094 0.000 0.624 237 A CB -0.651 18.342 19.000 -0.012 0.000 0.822 237 A HN 0.410 nan 8.150 nan 0.000 0.444 238 N N 0.157 118.802 118.700 -0.091 0.000 2.084 238 N HA -0.107 4.632 4.740 -0.001 0.000 0.190 238 N C 1.627 177.139 175.510 0.003 0.000 1.030 238 N CA 1.584 54.616 53.050 -0.030 0.000 0.849 238 N CB -0.547 37.911 38.487 -0.048 0.000 1.012 238 N HN 0.554 nan 8.380 nan 0.000 0.423 239 I N 1.010 121.523 120.570 -0.095 0.000 2.208 239 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 239 I C 2.006 178.104 176.117 -0.031 0.000 1.097 239 I CA 0.892 62.130 61.300 -0.102 0.000 1.363 239 I CB -0.189 37.681 38.000 -0.216 0.000 1.051 239 I HN 0.065 nan 8.210 nan 0.000 0.413 240 L N 0.193 121.364 121.223 -0.086 0.000 2.083 240 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 240 L C 2.386 179.275 176.870 0.031 0.000 1.083 240 L CA 1.477 56.278 54.840 -0.065 0.000 0.752 240 L CB -0.499 41.520 42.059 -0.067 0.000 0.899 240 L HN 0.184 nan 8.230 nan 0.000 0.433 241 K N -0.503 119.958 120.400 0.101 0.000 2.217 241 K HA -0.080 4.239 4.320 -0.001 0.000 0.202 241 K C 0.666 177.429 176.600 0.272 0.000 1.051 241 K CA 0.227 56.623 56.287 0.182 0.000 0.952 241 K CB -0.106 32.457 32.500 0.106 0.000 0.736 241 K HN -0.014 nan 8.250 nan 0.000 0.453 242 F N 3.022 123.030 119.950 0.096 0.000 2.608 242 F HA -0.078 4.449 4.527 -0.001 0.000 0.380 242 F C 0.054 175.893 175.800 0.065 0.000 1.083 242 F CA 0.354 58.385 58.000 0.052 0.000 1.266 242 F CB 0.409 39.412 39.000 0.005 0.000 1.076 242 F HN -0.016 nan 8.300 nan 0.000 0.574 243 Q N 4.375 123.829 119.800 -0.577 0.000 2.312 243 Q HA 0.198 4.538 4.340 -0.001 0.000 0.263 243 Q C -0.956 174.767 176.000 -0.462 0.000 0.995 243 Q CA -1.074 54.484 55.803 -0.408 0.000 0.853 243 Q CB 1.832 30.331 28.738 -0.398 0.000 1.300 243 Q HN 0.640 nan 8.270 nan 0.000 0.448 244 D N 0.061 120.383 120.400 -0.130 0.000 2.371 244 D HA -0.017 4.622 4.640 -0.001 0.000 0.242 244 D C 1.072 177.319 176.300 -0.088 0.000 1.218 244 D CA 0.197 54.183 54.000 -0.024 0.000 0.945 244 D CB 1.112 41.945 40.800 0.055 0.000 1.137 244 D HN 0.643 nan 8.370 nan 0.000 0.464 245 T N -1.509 113.023 114.554 -0.036 0.000 2.869 245 T HA -0.243 4.106 4.350 -0.001 0.000 0.270 245 T C 0.934 175.604 174.700 -0.050 0.000 1.082 245 T CA 1.462 63.535 62.100 -0.045 0.000 1.123 245 T CB -0.272 68.589 68.868 -0.013 0.000 0.856 245 T HN 0.522 nan 8.240 nan 0.000 0.499 246 D N 0.351 120.725 120.400 -0.043 0.000 2.328 246 D HA 0.279 4.918 4.640 -0.001 0.000 0.221 246 D C 1.646 177.909 176.300 -0.062 0.000 1.072 246 D CA 0.378 54.354 54.000 -0.040 0.000 0.850 246 D CB -0.597 40.190 40.800 -0.021 0.000 0.922 246 D HN 0.547 nan 8.370 nan 0.000 0.516 247 G N 0.175 108.917 108.800 -0.097 0.000 2.267 247 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.257 247 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.257 247 G C 0.307 175.108 174.900 -0.165 0.000 0.998 247 G CA 0.328 45.349 45.100 -0.132 0.000 0.620 247 G HN 0.492 nan 8.290 nan 0.000 0.529 248 K N 0.600 120.935 120.400 -0.110 0.000 2.154 248 K HA 0.479 4.798 4.320 -0.001 0.000 0.264 248 K C 0.287 176.830 176.600 -0.096 0.000 1.008 248 K CA -0.670 55.562 56.287 -0.091 0.000 0.937 248 K CB 0.420 32.915 32.500 -0.008 0.000 1.002 248 K HN 0.480 nan 8.250 nan 0.000 0.469 249 H N 1.084 120.162 119.070 0.013 0.000 2.897 249 H HA -0.082 4.473 4.556 -0.001 0.000 0.347 249 H C 0.892 176.262 175.328 0.070 0.000 1.068 249 H CA -0.203 55.869 56.048 0.040 0.000 1.426 249 H CB 0.632 30.422 29.762 0.047 0.000 1.410 249 H HN 0.386 nan 8.280 nan 0.000 0.597 250 L N 3.281 124.663 121.223 0.264 0.000 2.095 250 L HA -0.040 4.300 4.340 -0.001 0.000 0.204 250 L C 1.876 178.821 176.870 0.125 0.000 1.080 250 L CA 1.137 56.102 54.840 0.208 0.000 0.759 250 L CB -0.704 41.554 42.059 0.332 0.000 0.914 250 L HN 0.662 nan 8.230 nan 0.000 0.439 251 L N 0.764 122.053 121.223 0.110 0.000 2.043 251 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 251 L C -0.627 176.263 176.870 0.034 0.000 1.075 251 L CA 2.023 56.877 54.840 0.024 0.000 0.752 251 L CB -1.828 40.208 42.059 -0.038 0.000 0.891 251 L HN 0.203 nan 8.230 nan 0.000 0.432 252 P HA -0.121 nan 4.420 nan 0.000 0.230 252 P C 0.932 178.262 177.300 0.049 0.000 1.158 252 P CA 1.371 64.510 63.100 0.065 0.000 0.769 252 P CB -0.060 31.689 31.700 0.081 0.000 0.807 253 K N -1.047 119.382 120.400 0.049 0.000 2.400 253 K HA 0.125 4.444 4.320 -0.001 0.000 0.194 253 K C 0.736 177.347 176.600 0.019 0.000 1.033 253 K CA 0.130 56.439 56.287 0.036 0.000 1.021 253 K CB 0.059 32.584 32.500 0.043 0.000 0.808 253 K HN 0.215 nan 8.250 nan 0.000 0.505 254 I N 2.114 122.690 120.570 0.009 0.000 2.441 254 I HA 0.066 4.235 4.170 -0.001 0.000 0.287 254 I C 0.581 176.691 176.117 -0.013 0.000 1.049 254 I CA -0.587 60.707 61.300 -0.010 0.000 1.381 254 I CB 0.731 38.712 38.000 -0.032 0.000 1.409 254 I HN 0.042 nan 8.210 nan 0.000 0.523 255 R N 3.783 124.274 120.500 -0.016 0.000 2.537 255 R HA -0.043 4.296 4.340 -0.001 0.000 0.280 255 R C 0.197 176.483 176.300 -0.023 0.000 1.058 255 R CA -0.109 55.982 56.100 -0.015 0.000 1.057 255 R CB 0.382 30.674 30.300 -0.014 0.000 0.973 255 R HN 0.576 nan 8.270 nan 0.000 0.438 256 D N 1.471 121.861 120.400 -0.017 0.000 2.690 256 D HA 0.021 4.660 4.640 -0.001 0.000 0.236 256 D C -1.017 175.271 176.300 -0.020 0.000 1.218 256 D CA 0.198 54.187 54.000 -0.019 0.000 0.829 256 D CB 0.180 40.974 40.800 -0.010 0.000 1.009 256 D HN 0.274 nan 8.370 nan 0.000 0.482 257 S N 0.047 115.732 115.700 -0.026 0.000 2.745 257 S HA 0.656 5.125 4.470 -0.001 0.000 0.283 257 S C -0.471 174.106 174.600 -0.038 0.000 1.170 257 S CA -0.678 57.507 58.200 -0.024 0.000 1.119 257 S CB 0.479 63.670 63.200 -0.016 0.000 1.035 257 S HN 0.284 nan 8.310 nan 0.000 0.483 258 A N 3.843 126.636 122.820 -0.046 0.000 2.409 258 A HA 0.668 4.988 4.320 -0.001 0.000 0.262 258 A C 0.877 178.419 177.584 -0.069 0.000 1.113 258 A CA 0.023 52.016 52.037 -0.074 0.000 0.790 258 A CB -0.011 18.932 19.000 -0.094 0.000 1.046 258 A HN 0.961 nan 8.150 nan 0.000 0.496 259 G N 1.015 109.765 108.800 -0.084 0.000 2.528 259 G HA2 0.568 4.528 3.960 -0.001 0.000 0.289 259 G HA3 0.568 4.528 3.960 -0.001 0.000 0.289 259 G C -0.408 174.435 174.900 -0.094 0.000 1.192 259 G CA -0.294 44.762 45.100 -0.073 0.000 0.921 259 G HN 1.114 nan 8.290 nan 0.000 0.512 260 Q N -1.442 118.319 119.800 -0.066 0.000 2.472 260 Q HA 0.480 4.819 4.340 -0.001 0.000 0.281 260 Q C -1.160 174.800 176.000 -0.068 0.000 0.997 260 Q CA -0.978 54.796 55.803 -0.048 0.000 0.828 260 Q CB 1.891 30.644 28.738 0.026 0.000 1.443 260 Q HN 0.408 nan 8.270 nan 0.000 0.390 261 K N 0.056 120.399 120.400 -0.096 0.000 2.469 261 K HA 0.359 4.678 4.320 -0.001 0.000 0.204 261 K C 0.512 176.902 176.600 -0.351 0.000 1.047 261 K CA 0.478 56.671 56.287 -0.157 0.000 1.072 261 K CB 1.216 33.647 32.500 -0.116 0.000 0.863 261 K HN 0.943 nan 8.250 nan 0.000 0.530 262 G N 0.871 109.373 108.800 -0.498 0.000 2.436 262 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.204 262 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.204 262 G C 1.234 175.155 174.900 -1.632 0.000 1.026 262 G CA 0.373 44.826 45.100 -1.079 0.000 0.658 262 G HN 0.272 nan 8.290 nan 0.000 0.499 263 T N -0.109 113.741 114.554 -1.174 0.000 2.720 263 T HA 0.144 4.493 4.350 -0.001 0.000 0.268 263 T C 2.496 176.826 174.700 -0.615 0.000 1.037 263 T CA 2.225 63.869 62.100 -0.759 0.000 1.144 263 T CB -0.898 67.764 68.868 -0.344 0.000 0.864 263 T HN 1.339 nan 8.240 nan 0.000 0.444 264 G N 1.781 110.043 108.800 -0.895 0.000 2.433 264 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 264 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 264 G C 1.527 176.061 174.900 -0.611 0.000 1.186 264 G CA 0.973 45.340 45.100 -1.221 0.000 0.779 264 G HN 0.585 nan 8.290 nan 0.000 0.543 265 K N -0.510 119.600 120.400 -0.483 0.000 2.044 265 K HA -0.178 4.141 4.320 -0.001 0.000 0.210 265 K C 2.252 178.805 176.600 -0.078 0.000 1.049 265 K CA 1.695 57.817 56.287 -0.274 0.000 0.927 265 K CB -0.334 32.025 32.500 -0.236 0.000 0.713 265 K HN 0.423 nan 8.250 nan 0.000 0.443 266 W N 1.248 122.462 121.300 -0.143 0.000 2.363 266 W HA -0.082 4.576 4.660 -0.002 0.000 0.296 266 W C 2.284 178.752 176.519 -0.085 0.000 1.212 266 W CA 1.262 58.561 57.345 -0.077 0.000 1.260 266 W CB -1.385 28.045 29.460 -0.050 0.000 1.131 266 W HN 0.170 nan 8.180 nan 0.000 0.530 267 T N 0.601 115.170 114.554 0.025 0.000 2.708 267 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 267 T C 2.117 176.795 174.700 -0.037 0.000 1.037 267 T CA 2.209 64.264 62.100 -0.075 0.000 1.146 267 T CB -0.721 68.022 68.868 -0.208 0.000 0.865 267 T HN 0.114 nan 8.240 nan 0.000 0.435 268 A N 1.087 123.854 122.820 -0.088 0.000 1.902 268 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 268 A C 2.313 179.895 177.584 -0.004 0.000 1.181 268 A CA 1.219 53.208 52.037 -0.081 0.000 0.623 268 A CB -0.821 18.071 19.000 -0.181 0.000 0.818 268 A HN 0.514 nan 8.150 nan 0.000 0.443 269 I N -0.308 120.283 120.570 0.036 0.000 2.226 269 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 269 I C 2.683 178.869 176.117 0.115 0.000 1.100 269 I CA 1.412 62.757 61.300 0.076 0.000 1.374 269 I CB -0.265 37.804 38.000 0.114 0.000 1.057 269 I HN 0.236 nan 8.210 nan 0.000 0.413 270 S N 0.750 116.565 115.700 0.191 0.000 2.370 270 S HA -0.206 4.263 4.470 -0.001 0.000 0.226 270 S C 2.265 177.043 174.600 0.298 0.000 1.033 270 S CA 1.398 59.795 58.200 0.329 0.000 1.011 270 S CB -0.404 63.050 63.200 0.424 0.000 0.852 270 S HN 0.555 nan 8.310 nan 0.000 0.457 271 A N 1.479 124.412 122.820 0.188 0.000 1.883 271 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 271 A C 2.148 179.806 177.584 0.123 0.000 1.186 271 A CA 1.356 53.485 52.037 0.153 0.000 0.624 271 A CB -0.824 18.222 19.000 0.076 0.000 0.822 271 A HN 0.451 nan 8.150 nan 0.000 0.444 272 L N -0.934 120.336 121.223 0.079 0.000 2.017 272 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 272 L C 2.613 179.489 176.870 0.010 0.000 1.073 272 L CA 1.788 56.659 54.840 0.052 0.000 0.745 272 L CB -0.588 41.497 42.059 0.044 0.000 0.894 272 L HN 0.455 nan 8.230 nan 0.000 0.432 273 E N -0.920 119.251 120.200 -0.048 0.000 2.153 273 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 273 E C 1.161 177.528 176.600 -0.389 0.000 0.988 273 E CA 1.252 57.499 56.400 -0.255 0.000 0.811 273 E CB 0.096 29.562 29.700 -0.390 0.000 0.746 273 E HN 0.484 nan 8.360 nan 0.000 0.466 274 Y N -0.950 119.394 120.300 0.073 0.000 2.531 274 Y HA 0.293 4.842 4.550 -0.001 0.000 0.249 274 Y C 1.075 176.997 175.900 0.036 0.000 1.168 274 Y CA 0.155 58.277 58.100 0.036 0.000 1.226 274 Y CB 1.163 39.632 38.460 0.015 0.000 1.177 274 Y HN 0.008 nan 8.280 nan 0.000 0.527 275 G N 1.018 109.902 108.800 0.140 0.000 2.295 275 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.287 275 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.287 275 G C -0.462 174.517 174.900 0.131 0.000 1.055 275 G CA 0.302 45.472 45.100 0.117 0.000 0.922 275 G HN 0.135 nan 8.290 nan 0.000 0.503 276 V N 0.533 120.532 119.914 0.142 0.000 2.398 276 V HA 0.465 4.584 4.120 -0.001 0.000 0.286 276 V C -1.517 174.649 176.094 0.120 0.000 1.026 276 V CA -1.672 60.708 62.300 0.133 0.000 0.868 276 V CB 1.888 33.787 31.823 0.127 0.000 0.982 276 V HN 0.169 nan 8.190 nan 0.000 0.443 277 P HA 0.153 nan 4.420 nan 0.000 0.230 277 P C -0.128 177.191 177.300 0.032 0.000 1.791 277 P CA -0.037 63.162 63.100 0.165 0.000 1.020 277 P CB -0.041 31.867 31.700 0.346 0.000 1.977 278 V N 2.016 121.924 119.914 -0.009 0.000 2.071 278 V HA -0.013 4.106 4.120 -0.001 0.000 0.254 278 V C 1.997 178.042 176.094 -0.082 0.000 1.456 278 V CA 0.622 62.864 62.300 -0.097 0.000 1.383 278 V CB -0.931 30.855 31.823 -0.062 0.000 1.433 278 V HN 0.410 nan 8.190 nan 0.000 0.499 279 T N -0.002 114.495 114.554 -0.095 0.000 2.821 279 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 279 T C 1.761 176.457 174.700 -0.007 0.000 1.046 279 T CA 0.998 63.098 62.100 -0.001 0.000 1.139 279 T CB -0.125 68.791 68.868 0.080 0.000 0.871 279 T HN 0.396 nan 8.240 nan 0.000 0.454 280 L N -0.204 120.985 121.223 -0.057 0.000 2.017 280 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 280 L C 2.612 179.463 176.870 -0.032 0.000 1.073 280 L CA 1.097 55.921 54.840 -0.027 0.000 0.745 280 L CB -0.483 41.547 42.059 -0.047 0.000 0.894 280 L HN 0.237 nan 8.230 nan 0.000 0.432 281 I N 0.016 120.542 120.570 -0.073 0.000 2.226 281 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 281 I C 2.265 178.314 176.117 -0.114 0.000 1.100 281 I CA 1.633 62.873 61.300 -0.100 0.000 1.374 281 I CB -0.986 36.919 38.000 -0.159 0.000 1.057 281 I HN 0.166 nan 8.210 nan 0.000 0.413 282 G N 0.083 108.821 108.800 -0.104 0.000 2.491 282 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 282 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 282 G C 1.531 176.385 174.900 -0.078 0.000 1.180 282 G CA 0.792 45.801 45.100 -0.151 0.000 0.774 282 G HN 0.416 nan 8.290 nan 0.000 0.562 283 E N 0.817 121.054 120.200 0.061 0.000 2.106 283 E HA -0.026 4.323 4.350 -0.001 0.000 0.192 283 E C 2.923 179.590 176.600 0.112 0.000 0.984 283 E CA 0.934 57.423 56.400 0.148 0.000 0.806 283 E CB -0.506 29.275 29.700 0.135 0.000 0.750 283 E HN 0.376 nan 8.360 nan 0.000 0.458 284 A N 1.039 123.893 122.820 0.057 0.000 1.902 284 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 284 A C 2.618 180.262 177.584 0.101 0.000 1.181 284 A CA 1.453 53.536 52.037 0.077 0.000 0.623 284 A CB -0.672 18.385 19.000 0.094 0.000 0.818 284 A HN 0.132 nan 8.150 nan 0.000 0.443 285 V N -1.114 118.823 119.914 0.038 0.000 2.307 285 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 285 V C 2.325 178.429 176.094 0.017 0.000 1.045 285 V CA 1.948 64.244 62.300 -0.006 0.000 1.024 285 V CB -0.992 30.693 31.823 -0.230 0.000 0.651 285 V HN 0.527 nan 8.190 nan 0.000 0.449 286 F N 0.941 120.921 119.950 0.050 0.000 2.216 286 F HA -0.111 4.414 4.527 -0.002 0.000 0.300 286 F C 2.419 178.240 175.800 0.035 0.000 1.085 286 F CA 0.895 58.918 58.000 0.038 0.000 1.326 286 F CB -1.324 37.698 39.000 0.036 0.000 1.027 286 F HN 0.106 nan 8.300 nan 0.000 0.497 287 A N 0.238 123.190 122.820 0.220 0.000 1.902 287 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 287 A C 2.425 180.062 177.584 0.088 0.000 1.181 287 A CA 1.545 53.662 52.037 0.133 0.000 0.623 287 A CB -0.616 18.444 19.000 0.100 0.000 0.818 287 A HN 0.298 nan 8.150 nan 0.000 0.443 288 R N -0.874 119.667 120.500 0.068 0.000 2.073 288 R HA -0.162 4.178 4.340 -0.001 0.000 0.234 288 R C 2.307 178.639 176.300 0.053 0.000 1.134 288 R CA 1.582 57.699 56.100 0.027 0.000 0.952 288 R CB -0.929 29.366 30.300 -0.008 0.000 0.850 288 R HN 0.622 nan 8.270 nan 0.000 0.433 289 C N 0.812 120.175 119.300 0.104 0.000 2.413 289 C HA -0.124 4.335 4.460 -0.001 0.000 0.276 289 C C 2.625 177.664 174.990 0.081 0.000 1.236 289 C CA 0.443 59.528 59.018 0.112 0.000 1.735 289 C CB -0.995 26.870 27.740 0.209 0.000 2.031 289 C HN 0.456 nan 8.230 nan 0.000 0.474 290 L N 2.321 123.597 121.223 0.088 0.000 2.079 290 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 290 L C 2.697 179.590 176.870 0.040 0.000 1.081 290 L CA 2.680 57.553 54.840 0.056 0.000 0.752 290 L CB -0.859 41.236 42.059 0.061 0.000 0.896 290 L HN 0.478 nan 8.230 nan 0.000 0.433 291 S N -2.402 113.320 115.700 0.036 0.000 2.423 291 S HA -0.128 4.341 4.470 -0.001 0.000 0.231 291 S C 1.967 176.574 174.600 0.012 0.000 1.014 291 S CA 1.170 59.381 58.200 0.019 0.000 0.965 291 S CB -0.724 62.480 63.200 0.006 0.000 0.785 291 S HN 0.484 nan 8.310 nan 0.000 0.495 292 S N 1.654 117.364 115.700 0.016 0.000 2.447 292 S HA 0.236 4.705 4.470 -0.001 0.000 0.233 292 S C 1.091 175.698 174.600 0.012 0.000 1.006 292 S CA 0.528 58.734 58.200 0.011 0.000 0.957 292 S CB -0.479 62.730 63.200 0.015 0.000 0.773 292 S HN 0.521 nan 8.310 nan 0.000 0.507 293 L N 2.063 123.296 121.223 0.017 0.000 2.930 293 L HA 0.130 4.469 4.340 -0.001 0.000 0.250 293 L C 1.775 178.652 176.870 0.011 0.000 1.320 293 L CA -0.116 54.732 54.840 0.014 0.000 1.163 293 L CB -0.348 41.719 42.059 0.014 0.000 1.542 293 L HN 0.129 nan 8.230 nan 0.000 0.428 294 K N 0.797 121.203 120.400 0.009 0.000 2.044 294 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 294 K C 1.510 178.115 176.600 0.008 0.000 1.049 294 K CA 1.790 58.082 56.287 0.008 0.000 0.927 294 K CB 0.029 32.532 32.500 0.004 0.000 0.713 294 K HN 0.238 nan 8.250 nan 0.000 0.443 295 D N 0.501 120.905 120.400 0.007 0.000 2.117 295 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 295 D C 1.777 178.081 176.300 0.007 0.000 0.987 295 D CA 1.158 55.162 54.000 0.007 0.000 0.829 295 D CB -0.043 40.760 40.800 0.006 0.000 0.961 295 D HN 0.446 nan 8.370 nan 0.000 0.460 296 E N 0.347 120.552 120.200 0.007 0.000 2.110 296 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 296 E C 2.237 178.842 176.600 0.009 0.000 0.988 296 E CA 0.632 57.036 56.400 0.007 0.000 0.804 296 E CB 0.065 29.769 29.700 0.006 0.000 0.745 296 E HN 0.228 nan 8.360 nan 0.000 0.458 297 R N 0.248 120.755 120.500 0.011 0.000 2.090 297 R HA -0.050 4.289 4.340 -0.001 0.000 0.228 297 R C 2.404 178.713 176.300 0.015 0.000 1.110 297 R CA 0.758 56.867 56.100 0.014 0.000 0.973 297 R CB -0.197 30.114 30.300 0.018 0.000 0.869 297 R HN 0.193 nan 8.270 nan 0.000 0.440 298 I N 0.237 120.815 120.570 0.013 0.000 2.179 298 I HA -0.345 3.824 4.170 -0.001 0.000 0.242 298 I C 2.884 179.008 176.117 0.011 0.000 1.088 298 I CA 1.386 62.693 61.300 0.012 0.000 1.357 298 I CB -0.400 37.606 38.000 0.011 0.000 1.051 298 I HN 0.132 nan 8.210 nan 0.000 0.409 299 Q N 0.437 120.243 119.800 0.010 0.000 2.030 299 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 299 Q C 2.440 178.445 176.000 0.009 0.000 0.986 299 Q CA 1.794 57.602 55.803 0.008 0.000 0.843 299 Q CB -0.649 28.093 28.738 0.007 0.000 0.904 299 Q HN 0.706 nan 8.270 nan 0.000 0.420 300 A N 0.543 123.369 122.820 0.009 0.000 1.972 300 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 300 A C 2.355 179.946 177.584 0.012 0.000 1.169 300 A CA 2.186 54.229 52.037 0.009 0.000 0.635 300 A CB -0.915 18.090 19.000 0.009 0.000 0.810 300 A HN 0.768 nan 8.150 nan 0.000 0.446 301 S N -0.686 115.022 115.700 0.014 0.000 2.442 301 S HA -0.129 4.340 4.470 -0.001 0.000 0.236 301 S C 1.707 176.316 174.600 0.015 0.000 1.007 301 S CA 1.456 59.666 58.200 0.017 0.000 0.965 301 S CB -0.175 63.037 63.200 0.020 0.000 0.773 301 S HN 0.356 nan 8.310 nan 0.000 0.504 302 K N 1.582 121.990 120.400 0.012 0.000 2.155 302 K HA 0.186 4.505 4.320 -0.001 0.000 0.203 302 K C 2.005 178.611 176.600 0.010 0.000 1.052 302 K CA 1.190 57.484 56.287 0.011 0.000 0.948 302 K CB -0.113 32.392 32.500 0.009 0.000 0.728 302 K HN 0.555 nan 8.250 nan 0.000 0.448 303 K N -0.493 119.912 120.400 0.009 0.000 2.329 303 K HA 0.224 4.544 4.320 -0.001 0.000 0.198 303 K C 0.204 176.809 176.600 0.008 0.000 1.085 303 K CA 0.075 56.366 56.287 0.007 0.000 0.961 303 K CB 0.440 32.943 32.500 0.006 0.000 0.971 303 K HN -0.020 nan 8.250 nan 0.000 0.502 304 L N 3.106 124.334 121.223 0.008 0.000 2.260 304 L HA 0.258 4.597 4.340 -0.001 0.000 0.289 304 L C -0.270 176.606 176.870 0.010 0.000 1.057 304 L CA -0.458 54.386 54.840 0.008 0.000 0.811 304 L CB 0.797 42.861 42.059 0.008 0.000 1.184 304 L HN -0.036 nan 8.230 nan 0.000 0.429 305 K N 1.700 122.106 120.400 0.009 0.000 2.098 305 K HA 0.563 4.882 4.320 -0.001 0.000 0.261 305 K C 0.478 177.084 176.600 0.009 0.000 0.987 305 K CA -0.493 55.800 56.287 0.011 0.000 0.916 305 K CB 1.633 34.140 32.500 0.012 0.000 1.039 305 K HN 0.687 nan 8.250 nan 0.000 0.455 306 G N 1.186 109.992 108.800 0.009 0.000 2.606 306 G HA2 0.327 4.286 3.960 -0.001 0.000 0.262 306 G HA3 0.327 4.286 3.960 -0.001 0.000 0.262 306 G C -2.193 172.712 174.900 0.008 0.000 1.394 306 G CA -0.963 44.138 45.100 0.002 0.000 1.044 306 G HN 0.451 nan 8.290 nan 0.000 0.553 307 P HA 0.259 nan 4.420 nan 0.000 0.262 307 P C 0.520 177.852 177.300 0.053 0.000 1.199 307 P CA 0.483 63.599 63.100 0.028 0.000 0.763 307 P CB 0.818 32.530 31.700 0.020 0.000 0.790 308 Q N 3.311 123.142 119.800 0.051 0.000 2.062 308 Q HA 0.030 4.369 4.340 -0.001 0.000 0.196 308 Q C 1.764 177.804 176.000 0.066 0.000 0.967 308 Q CA 2.003 57.835 55.803 0.049 0.000 0.832 308 Q CB -0.799 27.958 28.738 0.033 0.000 0.899 308 Q HN 0.622 nan 8.270 nan 0.000 0.442 309 K N 0.110 120.556 120.400 0.077 0.000 2.901 309 K HA 0.611 4.930 4.320 -0.001 0.000 0.199 309 K C -0.897 175.764 176.600 0.101 0.000 1.140 309 K CA -0.638 55.688 56.287 0.065 0.000 1.030 309 K CB -0.440 32.077 32.500 0.028 0.000 1.437 309 K HN 0.552 nan 8.250 nan 0.000 0.552 310 F N 1.223 121.169 119.950 -0.006 0.000 2.444 310 F HA 0.609 5.136 4.527 -0.001 0.000 0.342 310 F C 0.047 175.847 175.800 0.000 0.000 1.121 310 F CA -0.424 57.573 58.000 -0.006 0.000 0.997 310 F CB 1.904 40.901 39.000 -0.005 0.000 1.130 310 F HN 0.441 nan 8.300 nan 0.000 0.454 311 Q N 5.774 125.082 119.800 -0.820 0.000 2.285 311 Q HA 0.410 4.749 4.340 -0.001 0.000 0.269 311 Q C -1.798 173.661 176.000 -0.903 0.000 1.030 311 Q CA -0.882 54.558 55.803 -0.604 0.000 0.788 311 Q CB 1.557 30.131 28.738 -0.273 0.000 1.266 311 Q HN 0.802 nan 8.270 nan 0.000 0.438 312 F N 2.259 121.803 119.950 -0.678 0.000 2.494 312 F HA 0.473 4.999 4.527 -0.001 0.000 0.369 312 F C 0.546 176.175 175.800 -0.285 0.000 1.098 312 F CA 0.618 58.358 58.000 -0.434 0.000 1.154 312 F CB 0.423 39.335 39.000 -0.146 0.000 1.103 312 F HN 0.688 nan 8.300 nan 0.000 0.549 313 D N 4.736 124.635 120.400 -0.835 0.000 2.634 313 D HA 0.577 5.216 4.640 -0.001 0.000 0.318 313 D C 0.124 175.972 176.300 -0.752 0.000 1.226 313 D CA 0.070 53.694 54.000 -0.627 0.000 0.899 313 D CB 0.373 40.948 40.800 -0.375 0.000 1.025 313 D HN 0.940 nan 8.370 nan 0.000 0.501 314 G N -0.534 107.552 108.800 -1.190 0.000 2.788 314 G HA2 0.486 4.445 3.960 -0.001 0.000 0.293 314 G HA3 0.486 4.445 3.960 -0.001 0.000 0.293 314 G C -1.375 173.358 174.900 -0.278 0.000 1.392 314 G CA -0.565 44.098 45.100 -0.728 0.000 0.810 314 G HN 0.201 nan 8.290 nan 0.000 0.508 315 D N 0.001 120.406 120.400 0.009 0.000 2.338 315 D HA 0.185 4.824 4.640 -0.001 0.000 0.255 315 D C 1.431 177.945 176.300 0.356 0.000 1.237 315 D CA -0.082 54.012 54.000 0.157 0.000 0.883 315 D CB 1.004 41.870 40.800 0.111 0.000 1.087 315 D HN 0.343 nan 8.370 nan 0.000 0.485 316 K N 2.928 123.550 120.400 0.370 0.000 2.044 316 K HA -0.243 4.076 4.320 -0.001 0.000 0.210 316 K C 2.225 178.967 176.600 0.237 0.000 1.049 316 K CA 2.061 58.539 56.287 0.319 0.000 0.927 316 K CB -0.134 32.486 32.500 0.200 0.000 0.713 316 K HN 0.441 nan 8.250 nan 0.000 0.443 317 K N 1.026 121.531 120.400 0.174 0.000 2.057 317 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 317 K C 2.055 178.742 176.600 0.146 0.000 1.049 317 K CA 2.014 58.381 56.287 0.133 0.000 0.931 317 K CB -1.162 31.395 32.500 0.095 0.000 0.714 317 K HN 0.180 nan 8.250 nan 0.000 0.440 318 S N -0.818 114.983 115.700 0.170 0.000 2.368 318 S HA -0.089 4.380 4.470 -0.001 0.000 0.225 318 S C 1.819 176.536 174.600 0.196 0.000 1.030 318 S CA 1.426 59.721 58.200 0.158 0.000 0.999 318 S CB -0.445 62.849 63.200 0.158 0.000 0.844 318 S HN 0.559 nan 8.310 nan 0.000 0.459 319 F N 1.523 121.556 119.950 0.137 0.000 2.234 319 F HA 0.073 4.599 4.527 -0.001 0.000 0.299 319 F C 1.774 177.606 175.800 0.053 0.000 1.087 319 F CA 0.895 58.964 58.000 0.114 0.000 1.340 319 F CB -0.443 38.653 39.000 0.160 0.000 1.031 319 F HN 0.263 nan 8.300 nan 0.000 0.500 320 L N 0.704 121.988 121.223 0.101 0.000 2.046 320 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 320 L C 2.301 179.188 176.870 0.028 0.000 1.077 320 L CA 2.182 57.070 54.840 0.079 0.000 0.747 320 L CB -1.027 41.124 42.059 0.153 0.000 0.896 320 L HN 0.207 nan 8.230 nan 0.000 0.432 321 E N -0.397 119.804 120.200 0.000 0.000 2.110 321 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 321 E C 1.811 178.288 176.600 -0.205 0.000 0.988 321 E CA 1.576 57.925 56.400 -0.086 0.000 0.804 321 E CB -0.254 29.426 29.700 -0.033 0.000 0.745 321 E HN 0.516 nan 8.360 nan 0.000 0.458 322 D N 0.142 120.411 120.400 -0.217 0.000 2.104 322 D HA -0.173 4.466 4.640 -0.001 0.000 0.194 322 D C 2.033 178.097 176.300 -0.393 0.000 0.994 322 D CA 1.440 55.268 54.000 -0.286 0.000 0.830 322 D CB -0.284 40.313 40.800 -0.338 0.000 0.959 322 D HN 0.330 nan 8.370 nan 0.000 0.452 323 I N 0.497 120.758 120.570 -0.514 0.000 2.208 323 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 323 I C 2.647 178.502 176.117 -0.436 0.000 1.097 323 I CA 0.951 61.996 61.300 -0.426 0.000 1.363 323 I CB -0.271 37.575 38.000 -0.256 0.000 1.051 323 I HN -0.035 nan 8.210 nan 0.000 0.413 324 R N 1.526 121.606 120.500 -0.700 0.000 2.083 324 R HA -0.187 4.152 4.340 -0.001 0.000 0.237 324 R C 2.287 178.256 176.300 -0.552 0.000 1.137 324 R CA 1.586 57.014 56.100 -1.121 0.000 0.951 324 R CB -0.031 29.419 30.300 -1.417 0.000 0.851 324 R HN 0.316 nan 8.270 nan 0.000 0.434 325 K N -0.270 119.908 120.400 -0.370 0.000 2.097 325 K HA -0.053 4.267 4.320 -0.001 0.000 0.205 325 K C 2.090 178.553 176.600 -0.227 0.000 1.050 325 K CA 1.081 57.240 56.287 -0.214 0.000 0.938 325 K CB -0.078 32.328 32.500 -0.156 0.000 0.718 325 K HN 0.207 nan 8.250 nan 0.000 0.442 326 A N 1.795 124.476 122.820 -0.233 0.000 1.902 326 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 326 A C 2.118 179.662 177.584 -0.068 0.000 1.181 326 A CA 1.148 53.035 52.037 -0.249 0.000 0.623 326 A CB -0.516 18.378 19.000 -0.175 0.000 0.818 326 A HN 0.193 nan 8.150 nan 0.000 0.443 327 L N -1.618 119.672 121.223 0.112 0.000 2.017 327 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 327 L C 2.272 179.161 176.870 0.032 0.000 1.073 327 L CA 2.210 57.156 54.840 0.177 0.000 0.745 327 L CB -1.173 40.956 42.059 0.116 0.000 0.894 327 L HN 0.526 nan 8.230 nan 0.000 0.432 328 Y N 0.341 120.527 120.300 -0.190 0.000 2.145 328 Y HA -0.212 4.337 4.550 -0.001 0.000 0.286 328 Y C 2.426 178.188 175.900 -0.230 0.000 1.145 328 Y CA 1.617 59.625 58.100 -0.155 0.000 1.148 328 Y CB -0.891 37.458 38.460 -0.184 0.000 0.981 328 Y HN 0.256 nan 8.280 nan 0.000 0.507 329 A N -0.938 121.557 122.820 -0.541 0.000 1.877 329 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 329 A C 2.478 179.604 177.584 -0.763 0.000 1.186 329 A CA 2.115 53.615 52.037 -0.894 0.000 0.620 329 A CB -1.136 16.958 19.000 -1.509 0.000 0.822 329 A HN 0.474 nan 8.150 nan 0.000 0.443 330 S N -0.530 114.790 115.700 -0.634 0.000 2.383 330 S HA -0.143 4.326 4.470 -0.001 0.000 0.227 330 S C 1.982 176.537 174.600 -0.075 0.000 1.026 330 S CA 1.442 59.520 58.200 -0.202 0.000 0.981 330 S CB -0.242 62.924 63.200 -0.056 0.000 0.818 330 S HN 0.654 nan 8.310 nan 0.000 0.472 331 K N 1.134 121.507 120.400 -0.045 0.000 2.063 331 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 331 K C 1.968 178.673 176.600 0.176 0.000 1.048 331 K CA 1.283 57.652 56.287 0.137 0.000 0.928 331 K CB -0.296 32.346 32.500 0.237 0.000 0.713 331 K HN 0.320 nan 8.250 nan 0.000 0.442 332 I N 1.330 121.862 120.570 -0.063 0.000 2.179 332 I HA -0.313 3.856 4.170 -0.001 0.000 0.242 332 I C 2.185 178.274 176.117 -0.046 0.000 1.088 332 I CA 0.806 62.009 61.300 -0.162 0.000 1.357 332 I CB -0.268 37.528 38.000 -0.339 0.000 1.051 332 I HN 0.183 nan 8.210 nan 0.000 0.409 333 I N 0.187 120.751 120.570 -0.011 0.000 2.151 333 I HA -0.341 3.828 4.170 -0.001 0.000 0.243 333 I C 2.775 178.899 176.117 0.011 0.000 1.080 333 I CA 1.584 62.913 61.300 0.048 0.000 1.339 333 I CB -1.532 36.558 38.000 0.151 0.000 1.039 333 I HN 0.254 nan 8.210 nan 0.000 0.409 334 S N 0.289 116.029 115.700 0.066 0.000 2.359 334 S HA -0.245 4.225 4.470 -0.001 0.000 0.223 334 S C 2.191 176.842 174.600 0.084 0.000 1.039 334 S CA 1.687 59.916 58.200 0.049 0.000 1.042 334 S CB -0.389 62.860 63.200 0.082 0.000 0.915 334 S HN 0.373 nan 8.310 nan 0.000 0.439 335 Y N 1.590 121.932 120.300 0.069 0.000 2.224 335 Y HA 0.048 4.597 4.550 -0.001 0.000 0.289 335 Y C 2.715 178.726 175.900 0.186 0.000 1.146 335 Y CA 0.654 58.870 58.100 0.192 0.000 1.182 335 Y CB -1.071 37.548 38.460 0.266 0.000 0.983 335 Y HN 0.360 nan 8.280 nan 0.000 0.524 336 A N -0.073 122.833 122.820 0.144 0.000 1.908 336 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 336 A C 2.147 179.761 177.584 0.050 0.000 1.181 336 A CA 1.928 53.986 52.037 0.035 0.000 0.627 336 A CB -0.715 18.250 19.000 -0.058 0.000 0.818 336 A HN 0.535 nan 8.150 nan 0.000 0.445 337 Q N -0.932 118.836 119.800 -0.054 0.000 2.050 337 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 337 Q C 2.293 178.283 176.000 -0.017 0.000 0.980 337 Q CA 1.177 56.901 55.803 -0.131 0.000 0.840 337 Q CB -0.520 28.058 28.738 -0.267 0.000 0.898 337 Q HN 0.691 nan 8.270 nan 0.000 0.424 338 G N 0.320 109.126 108.800 0.009 0.000 2.513 338 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 338 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 338 G C 1.027 175.930 174.900 0.006 0.000 1.160 338 G CA 0.877 45.966 45.100 -0.018 0.000 0.767 338 G HN 0.245 nan 8.290 nan 0.000 0.571 339 F N 0.301 120.298 119.950 0.079 0.000 2.367 339 F HA 0.214 4.740 4.527 -0.001 0.000 0.298 339 F C 2.885 178.684 175.800 -0.003 0.000 1.094 339 F CA 0.710 58.753 58.000 0.070 0.000 1.409 339 F CB -0.120 38.959 39.000 0.132 0.000 1.064 339 F HN 0.044 nan 8.300 nan 0.000 0.528 340 M N -0.916 118.776 119.600 0.153 0.000 2.159 340 M HA -0.202 4.277 4.480 -0.001 0.000 0.263 340 M C 2.156 178.501 176.300 0.075 0.000 1.063 340 M CA 1.322 56.673 55.300 0.085 0.000 1.110 340 M CB -0.510 32.131 32.600 0.067 0.000 1.374 340 M HN 0.180 nan 8.290 nan 0.000 0.411 341 L N 0.537 121.811 121.223 0.085 0.000 2.056 341 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 341 L C 2.037 179.019 176.870 0.186 0.000 1.078 341 L CA 1.743 56.664 54.840 0.135 0.000 0.749 341 L CB -0.569 41.570 42.059 0.133 0.000 0.901 341 L HN 0.242 nan 8.230 nan 0.000 0.433 342 L N -0.895 120.424 121.223 0.161 0.000 2.017 342 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 342 L C 2.727 179.708 176.870 0.186 0.000 1.073 342 L CA 1.488 56.456 54.840 0.214 0.000 0.745 342 L CB -0.601 41.546 42.059 0.147 0.000 0.894 342 L HN 0.254 nan 8.230 nan 0.000 0.432 343 R N 0.392 120.929 120.500 0.062 0.000 2.096 343 R HA -0.256 4.083 4.340 -0.001 0.000 0.240 343 R C 2.289 178.593 176.300 0.006 0.000 1.139 343 R CA 1.826 57.943 56.100 0.028 0.000 0.952 343 R CB -0.505 29.738 30.300 -0.096 0.000 0.854 343 R HN 0.204 nan 8.270 nan 0.000 0.436 344 Q N -0.099 119.681 119.800 -0.032 0.000 2.096 344 Q HA -0.024 4.315 4.340 -0.001 0.000 0.204 344 Q C 1.947 177.737 176.000 -0.351 0.000 0.982 344 Q CA 2.330 58.053 55.803 -0.134 0.000 0.850 344 Q CB -0.592 28.106 28.738 -0.066 0.000 0.901 344 Q HN 0.465 nan 8.270 nan 0.000 0.422 345 A N 0.190 122.798 122.820 -0.353 0.000 1.908 345 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 345 A C 2.295 179.525 177.584 -0.590 0.000 1.181 345 A CA 2.037 53.672 52.037 -0.671 0.000 0.627 345 A CB -1.230 17.279 19.000 -0.817 0.000 0.818 345 A HN 0.506 nan 8.150 nan 0.000 0.445 346 A N -1.115 121.575 122.820 -0.217 0.000 1.908 346 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 346 A C 2.321 179.764 177.584 -0.235 0.000 1.181 346 A CA 2.440 54.415 52.037 -0.104 0.000 0.627 346 A CB -1.250 17.800 19.000 0.084 0.000 0.818 346 A HN 0.445 nan 8.150 nan 0.000 0.445 347 T N -0.809 113.587 114.554 -0.262 0.000 2.737 347 T HA -0.088 4.261 4.350 -0.001 0.000 0.265 347 T C 1.943 176.379 174.700 -0.440 0.000 1.038 347 T CA 1.627 63.569 62.100 -0.263 0.000 1.144 347 T CB -0.233 68.516 68.868 -0.198 0.000 0.866 347 T HN 0.508 nan 8.240 nan 0.000 0.434 348 E N 0.367 120.114 120.200 -0.755 0.000 2.118 348 E HA -0.045 4.304 4.350 -0.001 0.000 0.195 348 E C 1.156 177.101 176.600 -1.091 0.000 0.992 348 E CA 1.197 56.928 56.400 -1.114 0.000 0.804 348 E CB -0.147 28.382 29.700 -1.951 0.000 0.741 348 E HN 0.554 nan 8.360 nan 0.000 0.458 349 F N -2.336 117.186 119.950 -0.712 0.000 2.706 349 F HA 0.384 4.911 4.527 -0.001 0.000 0.308 349 F C 1.579 177.013 175.800 -0.610 0.000 1.095 349 F CA 0.323 57.817 58.000 -0.844 0.000 1.244 349 F CB 0.602 38.563 39.000 -1.732 0.000 1.063 349 F HN 0.083 nan 8.300 nan 0.000 0.582 350 G N -0.696 107.922 108.800 -0.303 0.000 2.162 350 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.260 350 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.260 350 G C 0.041 174.975 174.900 0.056 0.000 0.976 350 G CA -0.313 44.728 45.100 -0.098 0.000 0.655 350 G HN 0.138 nan 8.290 nan 0.000 0.533 351 W N 1.729 123.020 121.300 -0.015 0.000 2.295 351 W HA 0.441 5.100 4.660 -0.002 0.000 0.335 351 W C 1.183 177.646 176.519 -0.093 0.000 1.351 351 W CA 0.322 57.631 57.345 -0.059 0.000 1.273 351 W CB -0.371 29.033 29.460 -0.095 0.000 1.214 351 W HN 0.380 nan 8.180 nan 0.000 0.563 352 T N 1.970 116.597 114.554 0.122 0.000 3.579 352 T HA 0.503 4.852 4.350 -0.001 0.000 0.328 352 T C 0.073 174.699 174.700 -0.124 0.000 1.481 352 T CA -0.622 61.471 62.100 -0.010 0.000 1.144 352 T CB -0.439 68.424 68.868 -0.008 0.000 1.205 352 T HN 0.173 nan 8.240 nan 0.000 0.812 353 L N 2.804 123.897 121.223 -0.216 0.000 2.349 353 L HA 0.385 4.724 4.340 -0.001 0.000 0.275 353 L C 0.744 177.195 176.870 -0.698 0.000 1.115 353 L CA -0.763 53.830 54.840 -0.411 0.000 0.820 353 L CB 0.498 42.335 42.059 -0.369 0.000 1.135 353 L HN 0.469 nan 8.230 nan 0.000 0.445 354 N N 2.081 120.467 118.700 -0.523 0.000 2.558 354 N HA 0.106 4.845 4.740 -0.001 0.000 0.233 354 N C 0.366 175.608 175.510 -0.448 0.000 1.038 354 N CA -0.181 52.594 53.050 -0.458 0.000 0.934 354 N CB 0.465 38.801 38.487 -0.250 0.000 1.175 354 N HN 0.322 nan 8.380 nan 0.000 0.512 355 Y N 1.742 121.853 120.300 -0.315 0.000 2.145 355 Y HA 0.035 4.584 4.550 -0.001 0.000 0.286 355 Y C 2.324 178.061 175.900 -0.270 0.000 1.145 355 Y CA 1.489 59.330 58.100 -0.433 0.000 1.148 355 Y CB -0.734 36.992 38.460 -1.224 0.000 0.981 355 Y HN 0.571 nan 8.280 nan 0.000 0.507 356 G N -0.246 108.500 108.800 -0.089 0.000 2.440 356 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 356 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 356 G C 2.057 176.963 174.900 0.009 0.000 1.154 356 G CA 0.984 46.131 45.100 0.077 0.000 0.767 356 G HN 0.541 nan 8.290 nan 0.000 0.552 357 G N 0.948 109.706 108.800 -0.069 0.000 2.418 357 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.217 357 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.217 357 G C 1.771 176.563 174.900 -0.180 0.000 1.158 357 G CA 0.760 45.798 45.100 -0.102 0.000 0.771 357 G HN 0.444 nan 8.290 nan 0.000 0.545 358 I N 1.382 121.797 120.570 -0.259 0.000 2.226 358 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 358 I C 3.298 179.009 176.117 -0.677 0.000 1.100 358 I CA 0.948 61.935 61.300 -0.521 0.000 1.374 358 I CB -0.206 37.470 38.000 -0.539 0.000 1.057 358 I HN 0.245 nan 8.210 nan 0.000 0.413 359 A N 0.971 123.668 122.820 -0.206 0.000 1.908 359 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 359 A C 2.301 179.927 177.584 0.070 0.000 1.181 359 A CA 1.474 53.554 52.037 0.072 0.000 0.627 359 A CB -0.858 18.305 19.000 0.271 0.000 0.818 359 A HN 0.400 nan 8.150 nan 0.000 0.445 360 L N -1.315 119.915 121.223 0.012 0.000 2.083 360 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 360 L C 2.709 179.602 176.870 0.040 0.000 1.083 360 L CA 1.423 56.291 54.840 0.046 0.000 0.752 360 L CB -0.564 41.513 42.059 0.030 0.000 0.899 360 L HN 0.431 nan 8.230 nan 0.000 0.433 361 M N -1.652 117.907 119.600 -0.069 0.000 2.446 361 M HA -0.198 4.281 4.480 -0.001 0.000 0.263 361 M C 1.305 177.718 176.300 0.188 0.000 1.066 361 M CA 1.419 56.706 55.300 -0.021 0.000 1.087 361 M CB -0.232 32.277 32.600 -0.153 0.000 1.406 361 M HN 0.322 nan 8.290 nan 0.000 0.459 362 W N -0.044 121.326 121.300 0.118 0.000 3.290 362 W HA 0.174 4.834 4.660 -0.001 0.000 0.287 362 W C 1.697 178.287 176.519 0.117 0.000 1.288 362 W CA -0.061 57.366 57.345 0.137 0.000 1.725 362 W CB -0.689 28.897 29.460 0.211 0.000 1.103 362 W HN 0.212 nan 8.180 nan 0.000 0.670 363 R N -0.258 120.414 120.500 0.287 0.000 2.236 363 R HA 0.137 4.477 4.340 -0.001 0.000 0.208 363 R C 1.187 177.575 176.300 0.147 0.000 1.036 363 R CA 0.850 57.067 56.100 0.195 0.000 1.001 363 R CB -0.051 30.338 30.300 0.148 0.000 0.896 363 R HN -0.025 nan 8.270 nan 0.000 0.464 364 G N -2.170 106.714 108.800 0.140 0.000 2.660 364 G HA2 0.415 4.374 3.960 -0.001 0.000 0.294 364 G HA3 0.415 4.374 3.960 -0.001 0.000 0.294 364 G C -0.076 174.863 174.900 0.065 0.000 1.369 364 G CA -0.325 44.832 45.100 0.095 0.000 0.912 364 G HN 0.074 nan 8.290 nan 0.000 0.479 365 G N -1.511 107.302 108.800 0.022 0.000 2.379 365 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.297 365 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.297 365 G C 0.384 175.232 174.900 -0.085 0.000 1.004 365 G CA 1.002 46.084 45.100 -0.030 0.000 0.921 365 G HN 1.737 nan 8.290 nan 0.000 0.511 366 C N -0.024 119.202 119.300 -0.124 0.000 2.686 366 C HA 0.647 5.106 4.460 -0.001 0.000 0.318 366 C C 1.605 176.450 174.990 -0.241 0.000 1.160 366 C CA -0.861 58.097 59.018 -0.100 0.000 1.396 366 C CB 0.586 28.370 27.740 0.073 0.000 1.924 366 C HN 0.305 nan 8.230 nan 0.000 0.471 367 I N 4.468 124.921 120.570 -0.195 0.000 2.493 367 I HA -0.062 4.107 4.170 -0.001 0.000 0.254 367 I C 1.631 177.691 176.117 -0.094 0.000 1.160 367 I CA 1.821 62.949 61.300 -0.287 0.000 1.445 367 I CB -0.547 37.393 38.000 -0.101 0.000 1.086 367 I HN 0.810 nan 8.210 nan 0.000 0.433 368 I N -1.596 118.875 120.570 -0.166 0.000 3.856 368 I HA 0.257 4.426 4.170 -0.001 0.000 0.333 368 I C 0.995 177.152 176.117 0.067 0.000 1.525 368 I CA -0.454 60.766 61.300 -0.134 0.000 1.173 368 I CB -0.180 37.533 38.000 -0.478 0.000 1.175 368 I HN -0.070 nan 8.210 nan 0.000 0.424 369 R N 2.378 122.932 120.500 0.090 0.000 2.480 369 R HA 0.136 4.476 4.340 -0.001 0.000 0.303 369 R C -0.361 175.998 176.300 0.097 0.000 0.985 369 R CA 0.560 56.744 56.100 0.139 0.000 1.051 369 R CB 0.512 30.889 30.300 0.129 0.000 0.935 369 R HN 0.560 nan 8.270 nan 0.000 0.410 370 S N 2.427 118.140 115.700 0.022 0.000 2.569 370 S HA 0.109 4.578 4.470 -0.001 0.000 0.280 370 S C 0.599 175.091 174.600 -0.180 0.000 1.111 370 S CA -0.796 57.281 58.200 -0.205 0.000 0.887 370 S CB 2.001 64.802 63.200 -0.666 0.000 1.095 370 S HN 0.435 nan 8.310 nan 0.000 0.476 371 V N 3.944 123.759 119.914 -0.166 0.000 2.720 371 V HA 0.011 4.130 4.120 -0.001 0.000 0.256 371 V C 1.356 177.470 176.094 0.033 0.000 1.082 371 V CA 2.358 64.639 62.300 -0.032 0.000 1.101 371 V CB -0.977 30.855 31.823 0.014 0.000 0.693 371 V HN 0.854 nan 8.190 nan 0.000 0.479 372 F N -1.704 118.301 119.950 0.092 0.000 2.693 372 F HA 0.359 4.886 4.527 -0.001 0.000 0.303 372 F C 1.332 177.175 175.800 0.073 0.000 1.097 372 F CA -0.314 57.715 58.000 0.048 0.000 1.330 372 F CB -1.451 37.663 39.000 0.191 0.000 1.067 372 F HN 0.079 nan 8.300 nan 0.000 0.565 373 L N 1.015 122.435 121.223 0.328 0.000 2.127 373 L HA -0.096 4.244 4.340 -0.001 0.000 0.211 373 L C 2.716 179.737 176.870 0.253 0.000 1.089 373 L CA 1.465 56.527 54.840 0.369 0.000 0.757 373 L CB -1.177 41.078 42.059 0.326 0.000 0.899 373 L HN 0.465 nan 8.230 nan 0.000 0.434 374 G N -0.448 108.443 108.800 0.151 0.000 2.432 374 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.219 374 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.219 374 G C 1.692 176.600 174.900 0.012 0.000 1.135 374 G CA 0.313 45.457 45.100 0.072 0.000 0.767 374 G HN 0.128 nan 8.290 nan 0.000 0.550 375 K N 0.475 120.834 120.400 -0.068 0.000 2.097 375 K HA 0.088 4.407 4.320 -0.001 0.000 0.205 375 K C 2.388 179.008 176.600 0.032 0.000 1.050 375 K CA 0.489 56.608 56.287 -0.279 0.000 0.938 375 K CB -0.497 31.407 32.500 -0.994 0.000 0.718 375 K HN 0.416 nan 8.250 nan 0.000 0.442 376 I N 0.980 121.684 120.570 0.223 0.000 2.179 376 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 376 I C 2.391 178.617 176.117 0.181 0.000 1.088 376 I CA 1.146 62.546 61.300 0.168 0.000 1.357 376 I CB -0.270 37.797 38.000 0.111 0.000 1.051 376 I HN 0.079 nan 8.210 nan 0.000 0.409 377 K N 1.470 121.979 120.400 0.182 0.000 2.032 377 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 377 K C 1.615 178.300 176.600 0.142 0.000 1.048 377 K CA 1.969 58.364 56.287 0.180 0.000 0.927 377 K CB -0.373 32.199 32.500 0.121 0.000 0.712 377 K HN 0.196 nan 8.250 nan 0.000 0.441 378 D N 0.165 120.606 120.400 0.068 0.000 2.123 378 D HA -0.143 4.496 4.640 -0.001 0.000 0.196 378 D C 1.811 178.127 176.300 0.027 0.000 0.992 378 D CA 1.662 55.680 54.000 0.030 0.000 0.833 378 D CB -0.489 40.292 40.800 -0.032 0.000 0.954 378 D HN 0.378 nan 8.370 nan 0.000 0.455 379 A N 0.333 123.153 122.820 -0.001 0.000 1.883 379 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 379 A C 2.045 179.546 177.584 -0.137 0.000 1.186 379 A CA 1.194 53.175 52.037 -0.094 0.000 0.624 379 A CB -1.032 17.866 19.000 -0.171 0.000 0.822 379 A HN 0.171 nan 8.150 nan 0.000 0.444 380 F N 0.288 120.255 119.950 0.028 0.000 2.407 380 F HA -0.064 4.463 4.527 -0.001 0.000 0.299 380 F C 2.004 177.839 175.800 0.059 0.000 1.097 380 F CA 1.128 59.160 58.000 0.054 0.000 1.422 380 F CB -0.252 38.801 39.000 0.089 0.000 1.067 380 F HN 0.194 nan 8.300 nan 0.000 0.539 381 D N -0.007 120.512 120.400 0.198 0.000 2.097 381 D HA -0.114 4.525 4.640 -0.001 0.000 0.195 381 D C 2.359 178.713 176.300 0.089 0.000 0.989 381 D CA 1.072 55.146 54.000 0.124 0.000 0.827 381 D CB -0.254 40.597 40.800 0.086 0.000 0.966 381 D HN 0.174 nan 8.370 nan 0.000 0.456 382 R N -0.195 120.341 120.500 0.061 0.000 2.152 382 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 382 R C 0.299 176.628 176.300 0.047 0.000 1.117 382 R CA 0.723 56.847 56.100 0.041 0.000 0.981 382 R CB 0.055 30.367 30.300 0.020 0.000 0.870 382 R HN 0.012 nan 8.270 nan 0.000 0.451 383 N N -1.070 117.667 118.700 0.063 0.000 2.827 383 N HA 0.125 4.864 4.740 -0.001 0.000 0.240 383 N C -2.526 173.076 175.510 0.154 0.000 1.352 383 N CA -1.504 51.590 53.050 0.073 0.000 0.760 383 N CB 1.436 39.937 38.487 0.024 0.000 1.426 383 N HN -0.267 nan 8.380 nan 0.000 0.561 384 P HA -0.028 nan 4.420 nan 0.000 0.225 384 P C 0.444 177.946 177.300 0.336 0.000 1.148 384 P CA 1.055 64.335 63.100 0.301 0.000 0.779 384 P CB 0.480 32.292 31.700 0.186 0.000 0.780 385 E N -1.036 119.296 120.200 0.220 0.000 2.474 385 E HA 0.075 4.424 4.350 -0.001 0.000 0.195 385 E C 0.543 177.238 176.600 0.158 0.000 1.039 385 E CA -0.520 55.991 56.400 0.185 0.000 0.881 385 E CB -0.511 29.261 29.700 0.120 0.000 0.970 385 E HN 0.173 nan 8.360 nan 0.000 0.486 386 L N 2.005 123.314 121.223 0.143 0.000 2.747 386 L HA -0.193 4.147 4.340 -0.001 0.000 0.286 386 L C 1.162 178.069 176.870 0.062 0.000 1.216 386 L CA 0.912 55.764 54.840 0.019 0.000 0.930 386 L CB 0.416 42.332 42.059 -0.238 0.000 1.216 386 L HN 0.028 nan 8.230 nan 0.000 0.486 387 Q N 2.673 122.503 119.800 0.050 0.000 2.354 387 Q HA 0.098 4.437 4.340 -0.001 0.000 0.203 387 Q C 0.004 176.048 176.000 0.074 0.000 0.933 387 Q CA 0.689 56.540 55.803 0.079 0.000 0.901 387 Q CB 0.322 29.119 28.738 0.098 0.000 1.007 387 Q HN 0.830 nan 8.270 nan 0.000 0.495 388 N N -1.436 117.281 118.700 0.028 0.000 2.555 388 N HA 0.140 4.879 4.740 -0.001 0.000 0.265 388 N C -0.223 175.227 175.510 -0.100 0.000 1.135 388 N CA -0.233 52.813 53.050 -0.005 0.000 0.925 388 N CB 1.027 39.544 38.487 0.050 0.000 1.662 388 N HN -0.124 nan 8.380 nan 0.000 0.489 389 L N 2.022 123.132 121.223 -0.188 0.000 2.127 389 L HA -0.108 4.232 4.340 -0.001 0.000 0.211 389 L C 1.613 178.398 176.870 -0.141 0.000 1.089 389 L CA 1.124 55.764 54.840 -0.333 0.000 0.757 389 L CB -0.276 41.432 42.059 -0.586 0.000 0.899 389 L HN 0.671 nan 8.230 nan 0.000 0.434 390 L N -0.661 120.541 121.223 -0.035 0.000 2.362 390 L HA -0.198 4.141 4.340 -0.001 0.000 0.219 390 L C 2.234 179.183 176.870 0.131 0.000 1.134 390 L CA 0.710 55.611 54.840 0.101 0.000 0.807 390 L CB -0.327 41.843 42.059 0.185 0.000 0.927 390 L HN 0.320 nan 8.230 nan 0.000 0.447 391 L N -0.870 120.407 121.223 0.091 0.000 2.395 391 L HA -0.032 4.308 4.340 -0.001 0.000 0.218 391 L C 0.686 177.590 176.870 0.058 0.000 1.130 391 L CA 0.107 54.995 54.840 0.080 0.000 0.826 391 L CB -0.418 41.681 42.059 0.066 0.000 0.941 391 L HN 0.209 nan 8.230 nan 0.000 0.451 392 D N -0.171 120.266 120.400 0.063 0.000 2.345 392 D HA -0.035 4.604 4.640 -0.001 0.000 0.247 392 D C 0.797 177.169 176.300 0.120 0.000 1.108 392 D CA -0.165 53.888 54.000 0.088 0.000 0.894 392 D CB 1.094 41.968 40.800 0.124 0.000 1.203 392 D HN -0.061 nan 8.370 nan 0.000 0.430 393 D N 2.294 122.738 120.400 0.074 0.000 2.104 393 D HA -0.207 4.432 4.640 -0.001 0.000 0.194 393 D C 1.517 177.823 176.300 0.010 0.000 0.994 393 D CA 0.894 54.920 54.000 0.043 0.000 0.830 393 D CB -0.336 40.483 40.800 0.031 0.000 0.959 393 D HN 0.516 nan 8.370 nan 0.000 0.452 394 F N 0.314 120.167 119.950 -0.162 0.000 2.091 394 F HA -0.254 4.272 4.527 -0.001 0.000 0.299 394 F C 1.930 177.466 175.800 -0.440 0.000 1.103 394 F CA 1.514 59.303 58.000 -0.351 0.000 1.228 394 F CB -0.307 38.353 39.000 -0.566 0.000 0.984 394 F HN -0.114 nan 8.300 nan 0.000 0.477 395 F N 0.455 120.379 119.950 -0.043 0.000 2.234 395 F HA 0.020 4.546 4.527 -0.001 0.000 0.296 395 F C 2.426 178.118 175.800 -0.181 0.000 1.089 395 F CA 1.285 59.168 58.000 -0.195 0.000 1.343 395 F CB -0.948 37.974 39.000 -0.130 0.000 1.040 395 F HN -0.123 nan 8.300 nan 0.000 0.498 396 K N 0.371 120.814 120.400 0.073 0.000 2.032 396 K HA -0.171 4.148 4.320 -0.001 0.000 0.209 396 K C 2.192 178.777 176.600 -0.024 0.000 1.048 396 K CA 1.917 58.239 56.287 0.059 0.000 0.927 396 K CB -0.296 32.245 32.500 0.069 0.000 0.712 396 K HN 0.112 nan 8.250 nan 0.000 0.441 397 S N 0.491 116.129 115.700 -0.102 0.000 2.356 397 S HA -0.117 4.352 4.470 -0.001 0.000 0.223 397 S C 2.040 176.528 174.600 -0.186 0.000 1.032 397 S CA 1.107 59.227 58.200 -0.134 0.000 1.005 397 S CB -0.330 62.771 63.200 -0.165 0.000 0.867 397 S HN 0.548 nan 8.310 nan 0.000 0.449 398 A N 1.136 123.763 122.820 -0.321 0.000 1.883 398 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 398 A C 2.347 179.790 177.584 -0.236 0.000 1.186 398 A CA 1.751 53.600 52.037 -0.314 0.000 0.624 398 A CB -0.999 17.687 19.000 -0.524 0.000 0.822 398 A HN 0.348 nan 8.150 nan 0.000 0.444 399 V N -0.038 119.735 119.914 -0.235 0.000 2.427 399 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 399 V C 2.604 178.618 176.094 -0.132 0.000 1.051 399 V CA 2.329 64.488 62.300 -0.234 0.000 1.048 399 V CB -0.655 31.039 31.823 -0.215 0.000 0.666 399 V HN 0.705 nan 8.190 nan 0.000 0.456 400 E N 1.041 121.205 120.200 -0.059 0.000 2.085 400 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 400 E C 1.976 178.568 176.600 -0.014 0.000 0.994 400 E CA 1.717 58.116 56.400 -0.001 0.000 0.801 400 E CB -0.433 29.277 29.700 0.017 0.000 0.743 400 E HN 0.630 nan 8.360 nan 0.000 0.453 401 N N -0.996 117.676 118.700 -0.046 0.000 2.396 401 N HA -0.085 4.654 4.740 -0.001 0.000 0.180 401 N C 1.110 176.603 175.510 -0.028 0.000 1.028 401 N CA 1.025 54.054 53.050 -0.035 0.000 0.893 401 N CB 0.014 38.470 38.487 -0.051 0.000 0.967 401 N HN 0.276 nan 8.380 nan 0.000 0.440 402 C N 0.265 119.538 119.300 -0.045 0.000 2.634 402 C HA 0.078 4.537 4.460 -0.001 0.000 0.268 402 C C 2.656 177.679 174.990 0.056 0.000 1.322 402 C CA -0.357 58.636 59.018 -0.042 0.000 1.737 402 C CB -0.621 27.031 27.740 -0.147 0.000 1.976 402 C HN 0.481 nan 8.230 nan 0.000 0.547 403 Q N 1.804 121.656 119.800 0.087 0.000 2.045 403 Q HA -0.264 4.075 4.340 -0.001 0.000 0.206 403 Q C 1.468 177.570 176.000 0.170 0.000 0.991 403 Q CA 2.358 58.271 55.803 0.184 0.000 0.851 403 Q CB -0.115 28.689 28.738 0.110 0.000 0.911 403 Q HN 0.526 nan 8.270 nan 0.000 0.418 404 D N -0.538 119.922 120.400 0.100 0.000 2.116 404 D HA -0.131 4.508 4.640 -0.001 0.000 0.193 404 D C 2.071 178.426 176.300 0.093 0.000 0.998 404 D CA 1.678 55.727 54.000 0.082 0.000 0.836 404 D CB -0.282 40.551 40.800 0.055 0.000 0.951 404 D HN 0.184 nan 8.370 nan 0.000 0.449 405 S N -0.364 115.384 115.700 0.079 0.000 2.383 405 S HA -0.142 4.327 4.470 -0.001 0.000 0.227 405 S C 1.594 176.253 174.600 0.098 0.000 1.026 405 S CA 0.530 58.758 58.200 0.046 0.000 0.981 405 S CB -0.205 62.980 63.200 -0.024 0.000 0.818 405 S HN 0.391 nan 8.310 nan 0.000 0.472 406 W N 3.118 124.369 121.300 -0.081 0.000 2.317 406 W HA -0.104 4.556 4.660 -0.002 0.000 0.318 406 W C 2.205 178.692 176.519 -0.053 0.000 1.227 406 W CA 1.179 58.478 57.345 -0.078 0.000 1.269 406 W CB -0.777 28.652 29.460 -0.052 0.000 1.155 406 W HN 0.234 nan 8.180 nan 0.000 0.484 407 R N -0.542 120.030 120.500 0.120 0.000 2.115 407 R HA -0.115 4.224 4.340 -0.001 0.000 0.230 407 R C 2.379 178.709 176.300 0.049 0.000 1.111 407 R CA 1.397 57.494 56.100 -0.006 0.000 0.976 407 R CB -0.616 29.677 30.300 -0.011 0.000 0.870 407 R HN 0.157 nan 8.270 nan 0.000 0.445 408 R N 0.807 121.363 120.500 0.093 0.000 2.073 408 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 408 R C 2.265 178.690 176.300 0.208 0.000 1.134 408 R CA 1.477 57.666 56.100 0.148 0.000 0.952 408 R CB -0.222 30.175 30.300 0.161 0.000 0.850 408 R HN 0.228 nan 8.270 nan 0.000 0.433 409 A N 0.063 122.943 122.820 0.099 0.000 1.877 409 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 409 A C 2.255 179.865 177.584 0.045 0.000 1.186 409 A CA 1.687 53.728 52.037 0.007 0.000 0.620 409 A CB -0.673 18.160 19.000 -0.279 0.000 0.822 409 A HN 0.222 nan 8.150 nan 0.000 0.443 410 V N -0.696 119.216 119.914 -0.004 0.000 2.307 410 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 410 V C 2.802 178.913 176.094 0.028 0.000 1.045 410 V CA 2.296 64.591 62.300 -0.008 0.000 1.024 410 V CB -0.672 31.133 31.823 -0.030 0.000 0.651 410 V HN 0.629 nan 8.190 nan 0.000 0.449 411 S N -0.738 114.992 115.700 0.049 0.000 2.368 411 S HA -0.211 4.258 4.470 -0.001 0.000 0.225 411 S C 2.094 176.739 174.600 0.076 0.000 1.030 411 S CA 2.256 60.489 58.200 0.055 0.000 0.999 411 S CB -0.315 62.922 63.200 0.063 0.000 0.844 411 S HN 0.715 nan 8.310 nan 0.000 0.459 412 T N 0.771 115.408 114.554 0.137 0.000 2.737 412 T HA 0.004 4.353 4.350 -0.001 0.000 0.265 412 T C 1.900 176.597 174.700 -0.004 0.000 1.038 412 T CA 1.256 63.440 62.100 0.140 0.000 1.144 412 T CB -0.992 68.017 68.868 0.234 0.000 0.866 412 T HN 0.545 nan 8.240 nan 0.000 0.434 413 G N 1.143 109.959 108.800 0.026 0.000 2.440 413 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.218 413 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.218 413 G C 1.706 176.533 174.900 -0.121 0.000 1.154 413 G CA 0.946 46.007 45.100 -0.064 0.000 0.767 413 G HN 0.426 nan 8.290 nan 0.000 0.552 414 V N 0.274 120.152 119.914 -0.060 0.000 2.343 414 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 414 V C 2.864 178.899 176.094 -0.098 0.000 1.051 414 V CA 2.355 64.622 62.300 -0.055 0.000 1.036 414 V CB -0.540 31.276 31.823 -0.013 0.000 0.654 414 V HN 0.387 nan 8.190 nan 0.000 0.451 415 Q N -0.602 119.137 119.800 -0.103 0.000 2.167 415 Q HA -0.043 4.296 4.340 -0.001 0.000 0.202 415 Q C 2.184 177.953 176.000 -0.386 0.000 0.970 415 Q CA 1.562 57.307 55.803 -0.096 0.000 0.855 415 Q CB -0.334 28.462 28.738 0.097 0.000 0.911 415 Q HN 0.678 nan 8.270 nan 0.000 0.438 416 A N -0.645 121.700 122.820 -0.792 0.000 2.167 416 A HA 0.248 4.568 4.320 -0.001 0.000 0.214 416 A C 1.463 178.748 177.584 -0.499 0.000 1.151 416 A CA 0.874 52.191 52.037 -1.199 0.000 0.735 416 A CB -0.327 17.892 19.000 -1.302 0.000 0.802 416 A HN 0.450 nan 8.150 nan 0.000 0.467 417 G N -0.896 107.723 108.800 -0.302 0.000 2.132 417 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.228 417 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.228 417 G C -0.099 174.705 174.900 -0.159 0.000 1.000 417 G CA 0.084 45.083 45.100 -0.169 0.000 0.693 417 G HN 0.319 nan 8.290 nan 0.000 0.515 418 I N 1.245 121.692 120.570 -0.205 0.000 2.352 418 I HA 0.264 4.433 4.170 -0.001 0.000 0.290 418 I C -1.870 174.205 176.117 -0.071 0.000 1.036 418 I CA -2.720 58.441 61.300 -0.232 0.000 1.336 418 I CB 0.681 38.489 38.000 -0.320 0.000 1.407 418 I HN -0.129 nan 8.210 nan 0.000 0.497 419 P HA 0.188 nan 4.420 nan 0.000 0.265 419 P C -0.335 177.062 177.300 0.161 0.000 1.222 419 P CA 0.214 63.374 63.100 0.101 0.000 0.767 419 P CB 0.280 32.069 31.700 0.149 0.000 0.801 420 M N 5.970 125.670 119.600 0.167 0.000 3.062 420 M HA 0.198 4.677 4.480 -0.001 0.000 0.270 420 M C -1.598 174.839 176.300 0.229 0.000 1.270 420 M CA -1.499 53.958 55.300 0.263 0.000 0.702 420 M CB 1.818 34.605 32.600 0.313 0.000 1.398 420 M HN 0.185 nan 8.290 nan 0.000 0.490 421 P HA -0.133 nan 4.420 nan 0.000 0.215 421 P C 1.075 178.465 177.300 0.149 0.000 1.153 421 P CA 1.657 64.846 63.100 0.147 0.000 0.853 421 P CB 0.222 32.002 31.700 0.133 0.000 0.788 422 C N -2.273 117.101 119.300 0.123 0.000 2.505 422 C HA 0.064 4.523 4.460 -0.001 0.000 0.279 422 C C 2.667 177.735 174.990 0.130 0.000 1.316 422 C CA 0.064 59.125 59.018 0.072 0.000 1.720 422 C CB -2.031 25.690 27.740 -0.031 0.000 2.050 422 C HN 0.070 nan 8.230 nan 0.000 0.493 423 F N 2.272 122.346 119.950 0.206 0.000 2.095 423 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 423 F C 2.799 178.750 175.800 0.253 0.000 1.104 423 F CA 2.234 60.410 58.000 0.294 0.000 1.232 423 F CB -1.195 37.966 39.000 0.268 0.000 0.987 423 F HN 0.304 nan 8.300 nan 0.000 0.475 424 T N -4.534 110.226 114.554 0.342 0.000 2.857 424 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 424 T C 2.038 176.836 174.700 0.163 0.000 1.048 424 T CA 1.574 63.786 62.100 0.187 0.000 1.139 424 T CB -0.994 67.956 68.868 0.135 0.000 0.874 424 T HN 0.260 nan 8.240 nan 0.000 0.455 425 T N 1.133 115.798 114.554 0.186 0.000 2.821 425 T HA 0.133 4.482 4.350 -0.001 0.000 0.267 425 T C 2.222 177.067 174.700 0.243 0.000 1.046 425 T CA 1.372 63.581 62.100 0.182 0.000 1.139 425 T CB -0.853 68.107 68.868 0.153 0.000 0.871 425 T HN 0.541 nan 8.240 nan 0.000 0.454 426 A N 1.100 124.094 122.820 0.291 0.000 1.877 426 A HA 0.060 4.379 4.320 -0.001 0.000 0.216 426 A C 2.223 180.090 177.584 0.473 0.000 1.186 426 A CA 1.628 53.919 52.037 0.423 0.000 0.620 426 A CB -0.901 18.415 19.000 0.528 0.000 0.822 426 A HN 0.527 nan 8.150 nan 0.000 0.443 427 L N -0.194 121.141 121.223 0.186 0.000 2.056 427 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 427 L C 2.515 179.365 176.870 -0.034 0.000 1.078 427 L CA 2.423 57.046 54.840 -0.361 0.000 0.749 427 L CB -0.675 40.904 42.059 -0.800 0.000 0.901 427 L HN 0.284 nan 8.230 nan 0.000 0.433 428 S N -0.574 115.162 115.700 0.061 0.000 2.365 428 S HA -0.249 4.220 4.470 -0.001 0.000 0.225 428 S C 1.824 176.519 174.600 0.158 0.000 1.039 428 S CA 1.887 60.143 58.200 0.093 0.000 1.033 428 S CB -0.713 62.551 63.200 0.106 0.000 0.887 428 S HN 0.579 nan 8.310 nan 0.000 0.447 429 F N 1.030 121.055 119.950 0.125 0.000 2.102 429 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 429 F C 2.128 178.053 175.800 0.208 0.000 1.105 429 F CA 1.424 59.517 58.000 0.154 0.000 1.239 429 F CB -0.613 38.477 39.000 0.149 0.000 0.991 429 F HN 0.234 nan 8.300 nan 0.000 0.474 430 Y N 1.383 121.814 120.300 0.220 0.000 2.128 430 Y HA -0.282 4.267 4.550 -0.001 0.000 0.284 430 Y C 2.240 178.169 175.900 0.047 0.000 1.154 430 Y CA 2.299 60.489 58.100 0.151 0.000 1.149 430 Y CB -0.794 37.820 38.460 0.255 0.000 0.976 430 Y HN 0.077 nan 8.280 nan 0.000 0.505 431 D N -0.589 119.833 120.400 0.037 0.000 2.178 431 D HA -0.103 4.537 4.640 -0.001 0.000 0.202 431 D C 2.307 178.641 176.300 0.057 0.000 0.974 431 D CA 1.356 55.365 54.000 0.015 0.000 0.841 431 D CB -0.717 40.132 40.800 0.081 0.000 0.953 431 D HN 0.547 nan 8.370 nan 0.000 0.478 432 G N -0.399 108.378 108.800 -0.038 0.000 2.394 432 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.214 432 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.214 432 G C 1.578 176.414 174.900 -0.107 0.000 1.176 432 G CA 0.310 45.369 45.100 -0.069 0.000 0.786 432 G HN 0.273 nan 8.290 nan 0.000 0.533 433 Y N 2.248 122.302 120.300 -0.411 0.000 2.352 433 Y HA -0.071 4.478 4.550 -0.001 0.000 0.292 433 Y C 2.822 178.551 175.900 -0.286 0.000 1.136 433 Y CA 1.688 59.534 58.100 -0.423 0.000 1.227 433 Y CB 0.052 38.110 38.460 -0.669 0.000 0.991 433 Y HN 0.288 nan 8.280 nan 0.000 0.545 434 R N -1.231 119.086 120.500 -0.304 0.000 2.297 434 R HA 0.015 4.354 4.340 -0.001 0.000 0.197 434 R C -0.447 175.657 176.300 -0.326 0.000 0.943 434 R CA 0.290 56.169 56.100 -0.368 0.000 1.038 434 R CB -0.703 29.300 30.300 -0.495 0.000 0.957 434 R HN 0.293 nan 8.270 nan 0.000 0.484 435 H N 1.288 120.214 119.070 -0.241 0.000 2.668 435 H HA 0.055 4.611 4.556 -0.001 0.000 0.303 435 H C 0.647 175.875 175.328 -0.167 0.000 1.074 435 H CA -0.079 55.866 56.048 -0.171 0.000 1.406 435 H CB 1.838 31.520 29.762 -0.134 0.000 1.442 435 H HN 0.270 nan 8.280 nan 0.000 0.482 436 E N 3.278 123.445 120.200 -0.055 0.000 2.106 436 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 436 E C -0.168 176.422 176.600 -0.017 0.000 0.984 436 E CA 0.867 57.231 56.400 -0.060 0.000 0.806 436 E CB 0.344 30.004 29.700 -0.066 0.000 0.750 436 E HN 0.407 nan 8.360 nan 0.000 0.458 437 M N 1.429 121.048 119.600 0.032 0.000 2.294 437 M HA 0.401 4.881 4.480 -0.001 0.000 0.335 437 M C -0.699 175.599 176.300 -0.003 0.000 1.079 437 M CA -0.516 54.793 55.300 0.015 0.000 0.982 437 M CB 1.604 34.213 32.600 0.014 0.000 1.651 437 M HN 0.032 nan 8.290 nan 0.000 0.437 438 L N 3.975 125.175 121.223 -0.040 0.000 2.323 438 L HA 0.517 4.856 4.340 -0.001 0.000 0.265 438 L C -1.353 175.477 176.870 -0.067 0.000 1.012 438 L CA -1.614 53.176 54.840 -0.083 0.000 0.820 438 L CB 2.056 44.073 42.059 -0.070 0.000 1.334 438 L HN 0.462 nan 8.230 nan 0.000 0.427 439 P HA 0.004 nan 4.420 nan 0.000 0.244 439 P C 0.896 178.169 177.300 -0.045 0.000 1.211 439 P CA 0.225 63.288 63.100 -0.061 0.000 0.760 439 P CB 0.160 31.820 31.700 -0.068 0.000 0.961 440 A N 0.729 123.528 122.820 -0.035 0.000 2.076 440 A HA -0.190 4.130 4.320 -0.001 0.000 0.220 440 A C 2.325 179.898 177.584 -0.020 0.000 1.160 440 A CA 1.930 53.955 52.037 -0.019 0.000 0.653 440 A CB -1.314 17.683 19.000 -0.005 0.000 0.801 440 A HN 0.387 nan 8.150 nan 0.000 0.455 441 S N -0.075 115.609 115.700 -0.027 0.000 2.383 441 S HA -0.201 4.268 4.470 -0.001 0.000 0.229 441 S C 1.775 176.339 174.600 -0.059 0.000 1.030 441 S CA 1.473 59.653 58.200 -0.035 0.000 1.002 441 S CB -0.638 62.540 63.200 -0.036 0.000 0.829 441 S HN 0.493 nan 8.310 nan 0.000 0.467 442 L N 1.548 122.734 121.223 -0.061 0.000 2.093 442 L HA 0.180 4.519 4.340 -0.001 0.000 0.208 442 L C 2.150 178.966 176.870 -0.089 0.000 1.085 442 L CA 1.271 56.059 54.840 -0.086 0.000 0.755 442 L CB -0.667 41.347 42.059 -0.074 0.000 0.904 442 L HN 0.336 nan 8.230 nan 0.000 0.435 443 I N -0.901 119.638 120.570 -0.051 0.000 2.226 443 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 443 I C 2.448 178.541 176.117 -0.040 0.000 1.100 443 I CA 0.898 62.181 61.300 -0.028 0.000 1.374 443 I CB -0.280 37.716 38.000 -0.005 0.000 1.057 443 I HN 0.369 nan 8.210 nan 0.000 0.413 444 Q N 0.399 120.183 119.800 -0.026 0.000 2.084 444 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 444 Q C 2.424 178.401 176.000 -0.037 0.000 0.978 444 Q CA 1.863 57.675 55.803 0.014 0.000 0.844 444 Q CB -0.450 28.326 28.738 0.064 0.000 0.898 444 Q HN 0.575 nan 8.270 nan 0.000 0.426 445 A N 0.858 123.586 122.820 -0.154 0.000 1.902 445 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 445 A C 2.111 179.406 177.584 -0.482 0.000 1.181 445 A CA 1.530 53.357 52.037 -0.350 0.000 0.623 445 A CB -0.486 18.256 19.000 -0.430 0.000 0.818 445 A HN 0.383 nan 8.150 nan 0.000 0.443 446 Q N -0.747 118.867 119.800 -0.310 0.000 2.050 446 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 446 Q C 2.400 178.177 176.000 -0.372 0.000 0.980 446 Q CA 1.563 57.240 55.803 -0.210 0.000 0.840 446 Q CB -0.178 28.569 28.738 0.015 0.000 0.898 446 Q HN 0.601 nan 8.270 nan 0.000 0.424 447 R N 0.392 120.652 120.500 -0.400 0.000 2.091 447 R HA -0.179 4.160 4.340 -0.001 0.000 0.238 447 R C 1.871 177.944 176.300 -0.379 0.000 1.136 447 R CA 1.664 57.394 56.100 -0.617 0.000 0.959 447 R CB -0.227 29.954 30.300 -0.198 0.000 0.856 447 R HN 0.263 nan 8.270 nan 0.000 0.437 448 D N -0.495 119.863 120.400 -0.071 0.000 2.178 448 D HA -0.175 4.464 4.640 -0.001 0.000 0.202 448 D C 1.638 178.032 176.300 0.158 0.000 0.974 448 D CA 0.858 54.978 54.000 0.200 0.000 0.841 448 D CB 0.002 41.173 40.800 0.617 0.000 0.953 448 D HN 0.254 nan 8.370 nan 0.000 0.478 449 Y N -0.260 119.844 120.300 -0.327 0.000 2.163 449 Y HA -0.187 4.362 4.550 -0.001 0.000 0.288 449 Y C 1.795 177.693 175.900 -0.003 0.000 1.136 449 Y CA 2.018 59.938 58.100 -0.300 0.000 1.147 449 Y CB -0.254 37.840 38.460 -0.610 0.000 0.987 449 Y HN 0.111 nan 8.280 nan 0.000 0.509 450 F N -1.959 118.160 119.950 0.281 0.000 2.530 450 F HA 0.409 4.935 4.527 -0.001 0.000 0.292 450 F C 1.844 177.697 175.800 0.088 0.000 1.109 450 F CA 0.857 58.981 58.000 0.206 0.000 1.450 450 F CB -0.779 38.323 39.000 0.171 0.000 1.114 450 F HN -0.115 nan 8.300 nan 0.000 0.560 451 G N -0.863 107.802 108.800 -0.225 0.000 3.274 451 G HA2 0.407 4.366 3.960 -0.001 0.000 0.250 451 G HA3 0.407 4.366 3.960 -0.001 0.000 0.250 451 G C 0.883 175.443 174.900 -0.567 0.000 1.024 451 G CA -0.029 44.875 45.100 -0.326 0.000 0.840 451 G HN 0.827 nan 8.290 nan 0.000 0.522 452 A N 0.588 123.227 122.820 -0.301 0.000 2.822 452 A HA -0.226 4.093 4.320 -0.001 0.000 0.287 452 A C 1.230 178.634 177.584 -0.300 0.000 1.479 452 A CA 1.084 52.932 52.037 -0.315 0.000 0.779 452 A CB -2.465 16.197 19.000 -0.564 0.000 1.022 452 A HN 0.550 nan 8.150 nan 0.000 0.532 453 H N 0.230 119.267 119.070 -0.055 0.000 2.547 453 H HA 0.106 4.661 4.556 -0.001 0.000 0.272 453 H C 1.425 176.770 175.328 0.029 0.000 0.989 453 H CA 2.255 58.261 56.048 -0.070 0.000 1.214 453 H CB -0.142 29.546 29.762 -0.122 0.000 1.389 453 H HN 1.673 nan 8.280 nan 0.000 0.577 454 T N -1.159 113.544 114.554 0.247 0.000 0.541 454 T HA -0.195 4.154 4.350 -0.001 0.000 0.774 454 T C -0.644 174.310 174.700 0.422 0.000 0.992 454 T CA 0.506 62.772 62.100 0.277 0.000 4.077 454 T CB -1.362 67.627 68.868 0.202 0.000 2.303 454 T HN 0.581 nan 8.240 nan 0.000 0.398 455 Y N -0.735 119.775 120.300 0.350 0.000 2.705 455 Y HA 0.851 5.400 4.550 -0.001 0.000 0.332 455 Y C -0.605 175.245 175.900 -0.083 0.000 1.221 455 Y CA -1.225 57.000 58.100 0.208 0.000 1.059 455 Y CB 0.928 39.486 38.460 0.164 0.000 1.298 455 Y HN 1.012 nan 8.280 nan 0.000 0.459 456 E N 1.523 121.705 120.200 -0.029 0.000 2.263 456 E HA 0.618 4.967 4.350 -0.001 0.000 0.264 456 E C -1.452 175.201 176.600 0.088 0.000 0.923 456 E CA -1.065 55.188 56.400 -0.245 0.000 0.802 456 E CB 2.651 32.028 29.700 -0.538 0.000 1.228 456 E HN 0.542 nan 8.360 nan 0.000 0.417 457 L N 2.234 123.468 121.223 0.019 0.000 2.350 457 L HA 0.195 4.534 4.340 -0.001 0.000 0.275 457 L C 1.319 178.185 176.870 -0.007 0.000 1.099 457 L CA -0.352 54.519 54.840 0.052 0.000 0.808 457 L CB 0.595 42.677 42.059 0.038 0.000 1.149 457 L HN 0.580 nan 8.230 nan 0.000 0.442 458 L N 2.305 123.528 121.223 0.000 0.000 2.021 458 L HA -0.285 4.054 4.340 -0.001 0.000 0.215 458 L C 2.504 179.362 176.870 -0.019 0.000 1.074 458 L CA 1.807 56.639 54.840 -0.013 0.000 0.760 458 L CB -0.396 41.657 42.059 -0.010 0.000 0.889 458 L HN 0.906 nan 8.230 nan 0.000 0.433 459 A N -1.023 121.788 122.820 -0.015 0.000 2.121 459 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 459 A C 1.464 179.034 177.584 -0.024 0.000 1.154 459 A CA 1.077 53.104 52.037 -0.017 0.000 0.679 459 A CB -0.121 18.871 19.000 -0.013 0.000 0.795 459 A HN 0.315 nan 8.150 nan 0.000 0.458 460 K N 0.143 120.522 120.400 -0.035 0.000 3.050 460 K HA 0.298 4.618 4.320 -0.001 0.000 0.185 460 K C -3.199 173.355 176.600 -0.076 0.000 1.147 460 K CA -1.719 54.541 56.287 -0.045 0.000 0.916 460 K CB 1.150 33.625 32.500 -0.041 0.000 1.119 460 K HN 0.011 nan 8.250 nan 0.000 0.605 461 P HA 0.134 nan 4.420 nan 0.000 0.269 461 P C 0.637 177.880 177.300 -0.095 0.000 1.209 461 P CA 0.775 63.814 63.100 -0.102 0.000 0.776 461 P CB 1.034 32.703 31.700 -0.052 0.000 0.876 462 G N 0.850 109.558 108.800 -0.153 0.000 2.258 462 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.233 462 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.233 462 G C 0.172 175.084 174.900 0.019 0.000 1.006 462 G CA -0.099 44.998 45.100 -0.004 0.000 0.620 462 G HN 0.666 nan 8.290 nan 0.000 0.511 463 Q N 0.394 120.119 119.800 -0.124 0.000 2.368 463 Q HA 0.645 4.984 4.340 -0.001 0.000 0.256 463 Q C -0.853 175.032 176.000 -0.192 0.000 0.980 463 Q CA -0.789 54.983 55.803 -0.052 0.000 0.887 463 Q CB 0.245 28.952 28.738 -0.051 0.000 1.221 463 Q HN 0.179 nan 8.270 nan 0.000 0.458 464 F N 4.005 123.924 119.950 -0.051 0.000 2.394 464 F HA 0.469 4.995 4.527 -0.001 0.000 0.340 464 F C 0.128 175.827 175.800 -0.168 0.000 1.105 464 F CA -0.406 57.534 58.000 -0.099 0.000 1.124 464 F CB 0.894 39.864 39.000 -0.049 0.000 1.145 464 F HN 0.400 nan 8.300 nan 0.000 0.505 465 I N 2.008 122.442 120.570 -0.227 0.000 2.646 465 I HA 0.316 4.485 4.170 -0.001 0.000 0.299 465 I C -1.065 174.857 176.117 -0.325 0.000 1.036 465 I CA -0.898 60.197 61.300 -0.342 0.000 1.074 465 I CB 2.237 39.899 38.000 -0.564 0.000 1.258 465 I HN 0.521 nan 8.210 nan 0.000 0.430 466 H N 2.863 121.818 119.070 -0.192 0.000 2.489 466 H HA 0.546 5.102 4.556 -0.001 0.000 0.343 466 H C -1.207 174.101 175.328 -0.033 0.000 1.086 466 H CA -0.213 55.805 56.048 -0.051 0.000 1.198 466 H CB 1.625 31.387 29.762 -0.000 0.000 1.490 466 H HN 0.516 nan 8.280 nan 0.000 0.504 467 T N 4.357 118.564 114.554 -0.578 0.000 2.859 467 T HA 0.103 4.452 4.350 -0.001 0.000 0.281 467 T C 0.183 174.389 174.700 -0.824 0.000 1.005 467 T CA -0.833 60.867 62.100 -0.666 0.000 1.025 467 T CB 0.507 68.899 68.868 -0.793 0.000 0.977 467 T HN 0.615 nan 8.240 nan 0.000 0.458 468 N N 2.199 120.571 118.700 -0.547 0.000 3.050 468 N HA 0.078 4.817 4.740 -0.001 0.000 0.289 468 N C 0.549 175.899 175.510 -0.267 0.000 1.209 468 N CA -0.515 52.347 53.050 -0.312 0.000 1.154 468 N CB -0.239 38.131 38.487 -0.195 0.000 1.444 468 N HN 0.638 nan 8.380 nan 0.000 0.529 469 W N 0.336 121.484 121.300 -0.253 0.000 2.318 469 W HA -0.207 4.452 4.660 -0.001 0.000 0.313 469 W C 2.488 178.866 176.519 -0.235 0.000 1.221 469 W CA 1.844 59.063 57.345 -0.210 0.000 1.266 469 W CB -0.822 28.494 29.460 -0.239 0.000 1.150 469 W HN 0.446 nan 8.180 nan 0.000 0.496 470 T N -3.455 111.020 114.554 -0.132 0.000 3.023 470 T HA 0.262 4.611 4.350 -0.001 0.000 0.266 470 T C 1.852 176.341 174.700 -0.351 0.000 1.093 470 T CA 1.041 63.065 62.100 -0.127 0.000 1.129 470 T CB -0.411 68.424 68.868 -0.054 0.000 0.899 470 T HN 0.500 nan 8.240 nan 0.000 0.491 471 G N 1.108 109.703 108.800 -0.342 0.000 2.176 471 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.253 471 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.253 471 G C 0.432 175.022 174.900 -0.517 0.000 0.979 471 G CA 0.508 45.334 45.100 -0.457 0.000 0.641 471 G HN 0.747 nan 8.290 nan 0.000 0.530 472 H N -0.244 118.823 119.070 -0.005 0.000 3.078 472 H HA 0.485 5.040 4.556 -0.001 0.000 0.263 472 H C 1.657 176.991 175.328 0.009 0.000 1.177 472 H CA -0.024 56.026 56.048 0.004 0.000 1.128 472 H CB 0.692 30.461 29.762 0.011 0.000 1.623 472 H HN 0.531 nan 8.280 nan 0.000 0.592 473 G N 0.164 109.004 108.800 0.066 0.000 2.588 473 G HA2 0.430 4.390 3.960 -0.001 0.000 0.281 473 G HA3 0.430 4.390 3.960 -0.001 0.000 0.281 473 G C 0.570 175.512 174.900 0.071 0.000 1.236 473 G CA -0.083 45.062 45.100 0.075 0.000 0.969 473 G HN 0.297 nan 8.290 nan 0.000 0.504 474 G N -2.086 106.760 108.800 0.077 0.000 2.525 474 G HA2 0.413 4.373 3.960 -0.001 0.000 0.287 474 G HA3 0.413 4.373 3.960 -0.001 0.000 0.287 474 G C 1.079 176.032 174.900 0.088 0.000 1.350 474 G CA 0.703 45.839 45.100 0.061 0.000 1.039 474 G HN 0.958 nan 8.290 nan 0.000 0.513 475 T N -3.457 111.134 114.554 0.061 0.000 3.015 475 T HA 0.108 4.457 4.350 -0.001 0.000 0.250 475 T C 0.830 175.558 174.700 0.046 0.000 1.057 475 T CA 0.058 62.205 62.100 0.079 0.000 1.066 475 T CB -0.044 68.850 68.868 0.043 0.000 0.959 475 T HN 0.204 nan 8.240 nan 0.000 0.488 476 V N 4.335 124.250 119.914 0.000 0.000 2.446 476 V HA 0.400 4.519 4.120 -0.001 0.000 0.276 476 V C 0.855 176.875 176.094 -0.124 0.000 1.030 476 V CA -0.268 62.008 62.300 -0.040 0.000 1.033 476 V CB -0.134 31.671 31.823 -0.030 0.000 0.993 476 V HN 0.747 nan 8.190 nan 0.000 0.477 477 S N 3.654 119.253 115.700 -0.168 0.000 2.745 477 S HA 0.638 5.107 4.470 -0.001 0.000 0.292 477 S C 0.153 174.638 174.600 -0.191 0.000 1.127 477 S CA -0.473 57.538 58.200 -0.315 0.000 1.007 477 S CB 1.662 64.643 63.200 -0.365 0.000 1.165 477 S HN 0.660 nan 8.310 nan 0.000 0.544 478 S N 0.188 115.756 115.700 -0.220 0.000 2.645 478 S HA 0.545 5.014 4.470 -0.001 0.000 0.266 478 S C 0.228 174.797 174.600 -0.052 0.000 1.258 478 S CA -0.506 57.620 58.200 -0.124 0.000 0.990 478 S CB 0.000 63.083 63.200 -0.196 0.000 0.967 478 S HN 0.980 nan 8.310 nan 0.000 0.556 479 S N 1.698 117.425 115.700 0.045 0.000 2.632 479 S HA 0.472 4.942 4.470 -0.001 0.000 0.267 479 S C -0.511 174.102 174.600 0.022 0.000 1.276 479 S CA -0.887 57.358 58.200 0.074 0.000 0.998 479 S CB 1.015 64.311 63.200 0.160 0.000 0.953 479 S HN 0.610 nan 8.310 nan 0.000 0.547 480 S N 2.211 117.865 115.700 -0.076 0.000 2.410 480 S HA 0.584 5.053 4.470 -0.001 0.000 0.304 480 S C -0.800 173.705 174.600 -0.159 0.000 1.095 480 S CA -0.717 57.309 58.200 -0.290 0.000 1.089 480 S CB -0.743 62.014 63.200 -0.739 0.000 0.968 480 S HN 0.774 nan 8.310 nan 0.000 0.480 481 Y N 0.019 120.215 120.300 -0.174 0.000 2.592 481 Y HA 0.643 5.192 4.550 -0.001 0.000 0.334 481 Y C -1.322 174.533 175.900 -0.075 0.000 1.136 481 Y CA -1.350 56.677 58.100 -0.122 0.000 1.042 481 Y CB 0.736 39.149 38.460 -0.078 0.000 1.325 481 Y HN 0.312 nan 8.280 nan 0.000 0.457 482 N N 1.102 119.885 118.700 0.138 0.000 2.404 482 N HA 0.889 5.628 4.740 -0.001 0.000 0.297 482 N C -1.025 174.592 175.510 0.179 0.000 1.163 482 N CA -0.136 52.961 53.050 0.078 0.000 0.864 482 N CB 2.071 40.584 38.487 0.043 0.000 1.247 482 N HN 1.086 nan 8.380 nan 0.000 0.510 483 A N 0.000 122.888 122.820 0.113 0.000 2.254 483 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 483 A CA 0.000 52.101 52.037 0.107 0.000 0.836 483 A CB 0.000 19.108 19.000 0.181 0.000 0.831 483 A HN 0.000 nan 8.150 nan 0.000 0.486