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 2ix6_1_D DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPATR 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.413 176.600 -0.312 0.000 0.988 17 K CA 0.000 56.055 56.287 -0.387 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 18 S N -0.506 115.068 115.700 -0.210 0.000 2.587 18 S HA 0.297 4.768 4.470 0.000 0.000 0.269 18 S C 0.251 174.698 174.600 -0.254 0.000 1.154 18 S CA -0.059 57.942 58.200 -0.331 0.000 0.824 18 S CB 1.453 64.280 63.200 -0.622 0.000 1.118 18 S HN 0.950 nan 8.310 nan 0.000 0.462 19 S N 1.173 116.667 115.700 -0.345 0.000 2.474 19 S HA -0.082 4.388 4.470 0.000 0.000 0.235 19 S C 1.107 175.686 174.600 -0.035 0.000 0.997 19 S CA 1.402 59.517 58.200 -0.142 0.000 0.949 19 S CB -0.712 62.448 63.200 -0.067 0.000 0.766 19 S HN 0.968 nan 8.310 nan 0.000 0.517 20 Y N -2.276 118.082 120.300 0.097 0.000 2.500 20 Y HA 0.553 5.104 4.550 0.000 0.000 0.246 20 Y C 1.342 177.317 175.900 0.125 0.000 1.146 20 Y CA -1.743 56.410 58.100 0.088 0.000 1.230 20 Y CB -0.719 37.782 38.460 0.068 0.000 1.214 20 Y HN 0.150 nan 8.280 nan 0.000 0.526 21 F N 2.250 122.202 119.950 0.003 0.000 2.206 21 F HA -0.046 4.482 4.527 0.000 0.000 0.298 21 F C 1.448 177.275 175.800 0.046 0.000 1.090 21 F CA 1.561 59.586 58.000 0.041 0.000 1.323 21 F CB 0.010 38.985 39.000 -0.042 0.000 1.028 21 F HN 0.036 nan 8.300 nan 0.000 0.492 22 D N 0.433 120.840 120.400 0.012 0.000 2.289 22 D HA 0.027 4.668 4.640 0.000 0.000 0.207 22 D C 0.808 177.072 176.300 -0.060 0.000 0.966 22 D CA 0.292 54.250 54.000 -0.070 0.000 0.868 22 D CB -0.072 40.736 40.800 0.014 0.000 0.943 22 D HN 0.190 nan 8.370 nan 0.000 0.514 23 L N 2.287 123.509 121.223 -0.002 0.000 2.525 23 L HA 0.044 4.384 4.340 0.000 0.000 0.278 23 L C -1.778 175.079 176.870 -0.021 0.000 1.218 23 L CA -1.137 53.710 54.840 0.011 0.000 0.878 23 L CB -0.074 42.021 42.059 0.060 0.000 1.127 23 L HN -0.173 nan 8.230 nan 0.000 0.492 24 P HA 0.119 nan 4.420 nan 0.000 0.267 24 P C -2.321 174.969 177.300 -0.016 0.000 1.200 24 P CA -0.817 62.269 63.100 -0.024 0.000 0.772 24 P CB -0.258 31.433 31.700 -0.015 0.000 0.855 25 P HA 0.030 nan 4.420 nan 0.000 0.266 25 P C -0.084 177.219 177.300 0.006 0.000 1.193 25 P CA 0.164 63.260 63.100 -0.006 0.000 0.770 25 P CB 0.270 31.967 31.700 -0.005 0.000 0.836 26 M N 2.543 122.153 119.600 0.016 0.000 2.238 26 M HA 0.018 4.499 4.480 0.000 0.000 0.350 26 M C 0.466 176.783 176.300 0.029 0.000 1.321 26 M CA 0.079 55.392 55.300 0.023 0.000 1.097 26 M CB 0.314 32.932 32.600 0.030 0.000 1.713 26 M HN 0.304 nan 8.290 nan 0.000 0.455 27 E N 4.273 124.488 120.200 0.025 0.000 2.442 27 E HA -0.065 4.285 4.350 0.000 0.000 0.262 27 E C 0.751 177.378 176.600 0.045 0.000 1.004 27 E CA 0.048 56.463 56.400 0.025 0.000 0.928 27 E CB 0.664 30.375 29.700 0.018 0.000 0.937 27 E HN 0.780 nan 8.360 nan 0.000 0.446 28 M N 1.584 121.209 119.600 0.043 0.000 2.358 28 M HA -0.150 4.330 4.480 0.000 0.000 0.264 28 M C 2.098 178.456 176.300 0.098 0.000 1.064 28 M CA 1.126 56.473 55.300 0.078 0.000 1.093 28 M CB -0.890 31.721 32.600 0.018 0.000 1.401 28 M HN 0.412 nan 8.290 nan 0.000 0.440 29 S N -0.323 115.411 115.700 0.056 0.000 2.402 29 S HA -0.056 4.414 4.470 0.000 0.000 0.229 29 S C 1.761 176.385 174.600 0.039 0.000 1.021 29 S CA 1.096 59.323 58.200 0.044 0.000 0.974 29 S CB 0.158 63.372 63.200 0.024 0.000 0.800 29 S HN 0.311 nan 8.310 nan 0.000 0.484 30 V N 1.022 120.961 119.914 0.041 0.000 2.795 30 V HA 0.281 4.402 4.120 0.000 0.000 0.243 30 V C 2.698 178.819 176.094 0.046 0.000 1.069 30 V CA 0.987 63.303 62.300 0.028 0.000 1.089 30 V CB -0.862 30.972 31.823 0.018 0.000 0.756 30 V HN 0.494 nan 8.190 nan 0.000 0.471 31 A N -0.918 121.954 122.820 0.087 0.000 1.930 31 A HA 0.001 4.321 4.320 0.000 0.000 0.217 31 A C 1.091 178.813 177.584 0.230 0.000 1.175 31 A CA 1.471 53.587 52.037 0.132 0.000 0.627 31 A CB -0.205 18.879 19.000 0.139 0.000 0.815 31 A HN 0.490 nan 8.150 nan 0.000 0.443 32 F N -1.050 118.940 119.950 0.066 0.000 3.228 32 F HA 0.408 4.936 4.527 0.001 0.000 0.390 32 F C -2.574 173.270 175.800 0.073 0.000 1.235 32 F CA -1.676 56.372 58.000 0.080 0.000 1.236 32 F CB 1.650 40.744 39.000 0.157 0.000 1.855 32 F HN -0.043 nan 8.300 nan 0.000 0.647 33 P HA -0.074 nan 4.420 nan 0.000 0.222 33 P C 1.263 178.496 177.300 -0.111 0.000 1.153 33 P CA 1.030 64.088 63.100 -0.071 0.000 0.798 33 P CB 0.239 31.877 31.700 -0.103 0.000 0.796 34 Q N -0.588 119.012 119.800 -0.332 0.000 2.226 34 Q HA -0.009 4.331 4.340 0.000 0.000 0.204 34 Q C 0.683 176.632 176.000 -0.085 0.000 0.975 34 Q CA 0.866 56.502 55.803 -0.278 0.000 0.866 34 Q CB -0.190 28.260 28.738 -0.480 0.000 0.915 34 Q HN 0.191 nan 8.270 nan 0.000 0.440 35 A N 0.134 123.046 122.820 0.152 0.000 2.380 35 A HA 0.518 4.838 4.320 0.000 0.000 0.315 35 A C -0.667 177.107 177.584 0.317 0.000 1.101 35 A CA -0.583 51.587 52.037 0.221 0.000 0.771 35 A CB 1.644 20.770 19.000 0.211 0.000 1.287 35 A HN -0.041 nan 8.150 nan 0.000 0.436 36 T N 4.406 119.094 114.554 0.223 0.000 2.771 36 T HA 0.528 4.878 4.350 0.000 0.000 0.291 36 T C -2.244 172.516 174.700 0.101 0.000 0.954 36 T CA -0.738 61.442 62.100 0.134 0.000 1.045 36 T CB 0.921 69.828 68.868 0.065 0.000 0.917 36 T HN 0.578 nan 8.240 nan 0.000 0.484 37 P HA 0.221 nan 4.420 nan 0.000 0.275 37 P C 0.472 177.625 177.300 -0.245 0.000 1.270 37 P CA -0.416 62.381 63.100 -0.505 0.000 0.791 37 P CB 0.600 31.988 31.700 -0.519 0.000 1.089 38 A N 0.177 122.839 122.820 -0.263 0.000 2.168 38 A HA -0.073 4.247 4.320 0.000 0.000 0.215 38 A C 2.236 179.832 177.584 0.020 0.000 1.152 38 A CA 1.222 53.191 52.037 -0.113 0.000 0.716 38 A CB -1.503 17.456 19.000 -0.068 0.000 0.794 38 A HN 0.515 nan 8.150 nan 0.000 0.465 39 S N 0.123 115.803 115.700 -0.034 0.000 2.368 39 S HA -0.119 4.352 4.470 0.000 0.000 0.226 39 S C 0.970 175.608 174.600 0.063 0.000 1.044 39 S CA 1.677 59.886 58.200 0.016 0.000 1.062 39 S CB -0.453 62.733 63.200 -0.022 0.000 0.931 39 S HN 0.640 nan 8.310 nan 0.000 0.440 40 T N 2.607 117.188 114.554 0.045 0.000 2.811 40 T HA 0.390 4.740 4.350 0.000 0.000 0.309 40 T C -0.447 174.316 174.700 0.105 0.000 1.005 40 T CA -0.390 61.757 62.100 0.078 0.000 0.955 40 T CB -0.110 68.786 68.868 0.047 0.000 0.970 40 T HN 0.129 nan 8.240 nan 0.000 0.496 41 F N 5.113 125.073 119.950 0.018 0.000 2.529 41 F HA 0.292 4.819 4.527 0.000 0.000 0.365 41 F C -1.750 174.079 175.800 0.049 0.000 1.102 41 F CA -1.857 56.161 58.000 0.030 0.000 1.271 41 F CB 0.434 39.452 39.000 0.030 0.000 1.120 41 F HN 0.358 nan 8.300 nan 0.000 0.579 42 P HA 0.056 nan 4.420 nan 0.000 0.268 42 P C -2.496 174.861 177.300 0.095 0.000 1.208 42 P CA -0.660 62.370 63.100 -0.116 0.000 0.777 42 P CB -0.173 31.372 31.700 -0.258 0.000 0.875 43 P HA -0.001 nan 4.420 nan 0.000 0.274 43 P C -0.407 176.982 177.300 0.149 0.000 1.237 43 P CA -0.296 62.888 63.100 0.140 0.000 0.793 43 P CB 0.564 32.331 31.700 0.113 0.000 0.977 44 C N 3.048 122.437 119.300 0.149 0.000 2.305 44 C HA 0.190 4.650 4.460 0.000 0.000 0.378 44 C C 1.744 176.797 174.990 0.105 0.000 1.047 44 C CA 0.446 59.553 59.018 0.148 0.000 1.385 44 C CB -2.422 25.402 27.740 0.141 0.000 1.825 44 C HN 0.663 nan 8.230 nan 0.000 0.508 45 T N -0.327 114.289 114.554 0.103 0.000 3.069 45 T HA 0.012 4.363 4.350 0.000 0.000 0.252 45 T C 1.476 176.219 174.700 0.071 0.000 1.053 45 T CA 0.672 62.786 62.100 0.023 0.000 0.964 45 T CB -0.118 68.616 68.868 -0.224 0.000 1.005 45 T HN 0.738 nan 8.240 nan 0.000 0.532 46 S N 0.678 116.443 115.700 0.109 0.000 2.470 46 S HA 0.011 4.481 4.470 0.000 0.000 0.225 46 S C 0.942 175.484 174.600 -0.097 0.000 1.006 46 S CA -0.020 58.122 58.200 -0.097 0.000 0.934 46 S CB -0.419 62.826 63.200 0.075 0.000 0.778 46 S HN 0.469 nan 8.310 nan 0.000 0.517 47 D N 0.723 121.111 120.400 -0.020 0.000 2.545 47 D HA 0.050 4.690 4.640 0.000 0.000 0.227 47 D C -0.131 176.064 176.300 -0.175 0.000 1.150 47 D CA -0.226 53.700 54.000 -0.122 0.000 1.046 47 D CB -0.033 40.737 40.800 -0.051 0.000 1.098 47 D HN 0.404 nan 8.370 nan 0.000 0.502 48 Y N 2.439 122.507 120.300 -0.386 0.000 2.476 48 Y HA -0.031 4.520 4.550 0.000 0.000 0.283 48 Y C 0.608 176.427 175.900 -0.134 0.000 1.109 48 Y CA 0.643 58.593 58.100 -0.250 0.000 1.246 48 Y CB 0.186 38.490 38.460 -0.260 0.000 1.068 48 Y HN 0.277 nan 8.280 nan 0.000 0.552 49 Y N 0.587 120.455 120.300 -0.720 0.000 2.583 49 Y HA 0.202 4.752 4.550 0.000 0.000 0.294 49 Y C 0.121 175.582 175.900 -0.732 0.000 1.170 49 Y CA -0.355 57.309 58.100 -0.727 0.000 1.265 49 Y CB -1.620 36.497 38.460 -0.572 0.000 1.119 49 Y HN 0.221 nan 8.280 nan 0.000 0.522 50 H N -0.886 117.804 119.070 -0.633 0.000 2.631 50 H HA -0.253 4.304 4.556 0.000 0.000 0.322 50 H C 0.201 175.318 175.328 -0.351 0.000 1.035 50 H CA -0.117 55.680 56.048 -0.419 0.000 1.070 50 H CB -1.578 28.024 29.762 -0.266 0.000 1.622 50 H HN 0.401 nan 8.280 nan 0.000 0.373 51 F N 1.134 120.856 119.950 -0.380 0.000 2.661 51 F HA -0.070 4.458 4.527 0.000 0.000 0.298 51 F C 1.999 177.605 175.800 -0.324 0.000 1.137 51 F CA 0.288 58.026 58.000 -0.437 0.000 1.454 51 F CB -0.015 38.468 39.000 -0.862 0.000 1.103 51 F HN 0.386 nan 8.300 nan 0.000 0.577 52 N N 0.430 118.961 118.700 -0.281 0.000 2.443 52 N HA -0.157 4.584 4.740 0.000 0.000 0.184 52 N C 1.126 176.552 175.510 -0.140 0.000 1.037 52 N CA 0.989 53.917 53.050 -0.203 0.000 0.896 52 N CB -0.382 37.935 38.487 -0.283 0.000 0.959 52 N HN 0.229 nan 8.380 nan 0.000 0.442 53 D N -0.175 120.117 120.400 -0.179 0.000 2.224 53 D HA -0.020 4.620 4.640 0.000 0.000 0.205 53 D C 1.523 177.806 176.300 -0.028 0.000 0.965 53 D CA 0.583 54.542 54.000 -0.067 0.000 0.852 53 D CB 0.058 40.829 40.800 -0.048 0.000 0.947 53 D HN 0.341 nan 8.370 nan 0.000 0.494 54 L N -0.010 121.181 121.223 -0.053 0.000 2.558 54 L HA 0.142 4.483 4.340 0.000 0.000 0.225 54 L C 0.674 177.653 176.870 0.181 0.000 1.128 54 L CA 0.126 54.916 54.840 -0.083 0.000 0.868 54 L CB 0.025 41.739 42.059 -0.575 0.000 1.006 54 L HN -0.150 nan 8.230 nan 0.000 0.454 55 L N -0.705 120.606 121.223 0.146 0.000 2.334 55 L HA 0.403 4.744 4.340 0.000 0.000 0.272 55 L C 0.664 177.603 176.870 0.115 0.000 1.020 55 L CA -0.654 54.288 54.840 0.170 0.000 0.812 55 L CB 1.713 43.864 42.059 0.154 0.000 1.264 55 L HN -0.009 nan 8.230 nan 0.000 0.439 56 T N -2.202 112.415 114.554 0.104 0.000 2.882 56 T HA 0.261 4.611 4.350 0.000 0.000 0.287 56 T C -1.963 172.769 174.700 0.053 0.000 1.014 56 T CA -1.634 60.509 62.100 0.072 0.000 1.049 56 T CB 1.265 70.169 68.868 0.061 0.000 1.001 56 T HN 0.328 nan 8.240 nan 0.000 0.525 57 P HA -0.133 nan 4.420 nan 0.000 0.216 57 P C 1.418 178.737 177.300 0.031 0.000 1.154 57 P CA 1.172 64.293 63.100 0.034 0.000 0.865 57 P CB 0.102 31.819 31.700 0.029 0.000 0.789 58 E N -0.288 119.929 120.200 0.028 0.000 2.107 58 E HA -0.190 4.160 4.350 0.000 0.000 0.191 58 E C 1.840 178.453 176.600 0.023 0.000 0.982 58 E CA 0.888 57.301 56.400 0.022 0.000 0.809 58 E CB -0.138 29.573 29.700 0.017 0.000 0.756 58 E HN 0.278 nan 8.360 nan 0.000 0.459 59 E N 0.353 120.570 120.200 0.029 0.000 2.077 59 E HA -0.222 4.129 4.350 0.000 0.000 0.193 59 E C 2.230 178.854 176.600 0.040 0.000 0.989 59 E CA 1.132 57.549 56.400 0.030 0.000 0.800 59 E CB -0.004 29.724 29.700 0.046 0.000 0.746 59 E HN 0.309 nan 8.360 nan 0.000 0.452 60 Q N 0.068 119.896 119.800 0.047 0.000 2.096 60 Q HA -0.175 4.166 4.340 0.000 0.000 0.204 60 Q C 2.227 178.251 176.000 0.039 0.000 0.982 60 Q CA 1.405 57.237 55.803 0.047 0.000 0.850 60 Q CB -0.168 28.593 28.738 0.038 0.000 0.901 60 Q HN 0.257 nan 8.270 nan 0.000 0.422 61 A N 0.607 123.446 122.820 0.032 0.000 1.930 61 A HA -0.151 4.170 4.320 0.000 0.000 0.217 61 A C 1.996 179.594 177.584 0.024 0.000 1.175 61 A CA 1.066 53.119 52.037 0.027 0.000 0.627 61 A CB -0.501 18.512 19.000 0.023 0.000 0.815 61 A HN 0.300 nan 8.150 nan 0.000 0.443 62 I N -1.146 119.436 120.570 0.020 0.000 2.252 62 I HA -0.210 3.960 4.170 0.000 0.000 0.245 62 I C 2.652 178.781 176.117 0.020 0.000 1.102 62 I CA 1.377 62.685 61.300 0.014 0.000 1.385 62 I CB -0.326 37.674 38.000 0.001 0.000 1.064 62 I HN 0.337 nan 8.210 nan 0.000 0.414 63 R N 1.509 122.028 120.500 0.032 0.000 2.094 63 R HA -0.259 4.082 4.340 0.000 0.000 0.239 63 R C 2.389 178.719 176.300 0.050 0.000 1.137 63 R CA 2.037 58.168 56.100 0.052 0.000 0.943 63 R CB -0.224 30.124 30.300 0.081 0.000 0.850 63 R HN 0.231 nan 8.270 nan 0.000 0.433 64 K N 0.682 121.109 120.400 0.045 0.000 2.057 64 K HA -0.201 4.120 4.320 0.000 0.000 0.207 64 K C 2.189 178.807 176.600 0.030 0.000 1.049 64 K CA 1.645 57.957 56.287 0.041 0.000 0.931 64 K CB -0.116 32.407 32.500 0.039 0.000 0.714 64 K HN 0.066 nan 8.250 nan 0.000 0.440 65 K N 0.581 120.995 120.400 0.024 0.000 2.032 65 K HA -0.132 4.189 4.320 0.000 0.000 0.209 65 K C 1.952 178.557 176.600 0.010 0.000 1.048 65 K CA 1.661 57.958 56.287 0.016 0.000 0.927 65 K CB -0.052 32.457 32.500 0.015 0.000 0.712 65 K HN 0.038 nan 8.250 nan 0.000 0.441 66 V N 1.496 121.416 119.914 0.010 0.000 2.295 66 V HA -0.227 3.894 4.120 0.000 0.000 0.246 66 V C 2.642 178.729 176.094 -0.012 0.000 1.049 66 V CA 2.014 64.315 62.300 0.002 0.000 1.024 66 V CB -0.659 31.169 31.823 0.008 0.000 0.648 66 V HN 0.422 nan 8.190 nan 0.000 0.447 67 R N 0.126 120.626 120.500 -0.000 0.000 2.096 67 R HA -0.244 4.096 4.340 0.000 0.000 0.240 67 R C 2.314 178.593 176.300 -0.035 0.000 1.139 67 R CA 2.343 58.434 56.100 -0.016 0.000 0.952 67 R CB -0.249 30.067 30.300 0.027 0.000 0.854 67 R HN 0.641 nan 8.270 nan 0.000 0.436 68 E N -0.530 119.666 120.200 -0.007 0.000 2.072 68 E HA -0.204 4.146 4.350 0.000 0.000 0.191 68 E C 1.970 178.558 176.600 -0.021 0.000 0.985 68 E CA 1.162 57.559 56.400 -0.004 0.000 0.801 68 E CB -0.174 29.533 29.700 0.012 0.000 0.750 68 E HN 0.366 nan 8.360 nan 0.000 0.452 69 C N 0.617 119.904 119.300 -0.022 0.000 2.491 69 C HA 0.032 4.492 4.460 0.000 0.000 0.277 69 C C 2.065 177.023 174.990 -0.053 0.000 1.455 69 C CA 0.332 59.333 59.018 -0.028 0.000 1.758 69 C CB -0.741 26.989 27.740 -0.017 0.000 1.745 69 C HN 0.394 nan 8.230 nan 0.000 0.558 70 M N -0.684 118.868 119.600 -0.079 0.000 2.691 70 M HA 0.091 4.572 4.480 0.000 0.000 0.261 70 M C 1.964 178.165 176.300 -0.166 0.000 1.227 70 M CA 1.064 56.288 55.300 -0.126 0.000 1.197 70 M CB -1.110 31.397 32.600 -0.155 0.000 1.294 70 M HN 0.366 nan 8.290 nan 0.000 0.508 71 E N 0.241 120.341 120.200 -0.166 0.000 2.338 71 E HA -0.191 4.159 4.350 0.000 0.000 0.197 71 E C 1.834 178.414 176.600 -0.034 0.000 1.007 71 E CA 0.908 57.229 56.400 -0.131 0.000 0.849 71 E CB 0.170 29.834 29.700 -0.059 0.000 0.774 71 E HN 0.304 nan 8.360 nan 0.000 0.506 72 K N 0.718 121.097 120.400 -0.034 0.000 2.121 72 K HA -0.030 4.290 4.320 0.000 0.000 0.203 72 K C 1.800 178.389 176.600 -0.019 0.000 1.041 72 K CA 0.894 57.175 56.287 -0.011 0.000 0.969 72 K CB 0.447 32.944 32.500 -0.006 0.000 0.799 72 K HN -0.142 nan 8.250 nan 0.000 0.456 73 E N -0.244 119.929 120.200 -0.045 0.000 2.307 73 E HA 0.036 4.386 4.350 0.000 0.000 0.195 73 E C 1.807 178.351 176.600 -0.093 0.000 0.975 73 E CA 0.594 56.958 56.400 -0.061 0.000 0.878 73 E CB 0.776 30.433 29.700 -0.073 0.000 0.845 73 E HN 0.139 nan 8.360 nan 0.000 0.488 74 V N 0.980 120.834 119.914 -0.100 0.000 2.690 74 V HA 0.087 4.207 4.120 0.000 0.000 0.240 74 V C 2.328 178.385 176.094 -0.061 0.000 1.078 74 V CA 1.123 63.353 62.300 -0.116 0.000 1.102 74 V CB -0.345 31.397 31.823 -0.136 0.000 0.800 74 V HN 0.144 nan 8.190 nan 0.000 0.479 75 A N 1.238 124.024 122.820 -0.056 0.000 1.927 75 A HA -0.190 4.130 4.320 0.000 0.000 0.220 75 A C 0.416 178.033 177.584 0.055 0.000 1.185 75 A CA 2.628 54.673 52.037 0.014 0.000 0.639 75 A CB -1.949 17.074 19.000 0.037 0.000 0.820 75 A HN 0.555 nan 8.150 nan 0.000 0.451 76 P HA -0.092 nan 4.420 nan 0.000 0.215 76 P C 1.374 178.713 177.300 0.066 0.000 1.157 76 P CA 1.355 64.485 63.100 0.049 0.000 0.859 76 P CB -0.239 31.488 31.700 0.045 0.000 0.786 77 I N -3.267 117.351 120.570 0.081 0.000 3.059 77 I HA -0.033 4.138 4.170 0.000 0.000 0.270 77 I C 2.226 178.469 176.117 0.210 0.000 1.238 77 I CA 0.892 62.293 61.300 0.168 0.000 1.478 77 I CB -1.589 36.540 38.000 0.215 0.000 1.097 77 I HN -0.159 nan 8.210 nan 0.000 0.455 78 M N 0.230 119.897 119.600 0.111 0.000 2.149 78 M HA -0.117 4.363 4.480 0.000 0.000 0.261 78 M C 2.010 178.416 176.300 0.177 0.000 1.064 78 M CA 2.295 57.666 55.300 0.120 0.000 1.102 78 M CB -1.859 30.771 32.600 0.051 0.000 1.369 78 M HN 0.184 nan 8.290 nan 0.000 0.408 79 T N 0.612 115.236 114.554 0.116 0.000 2.684 79 T HA -0.195 4.155 4.350 0.000 0.000 0.267 79 T C 1.751 176.543 174.700 0.154 0.000 1.036 79 T CA 2.046 64.207 62.100 0.101 0.000 1.148 79 T CB -0.368 68.518 68.868 0.029 0.000 0.863 79 T HN 0.608 nan 8.240 nan 0.000 0.436 80 E N -0.134 120.136 120.200 0.116 0.000 2.028 80 E HA -0.135 4.215 4.350 0.000 0.000 0.191 80 E C 1.853 178.461 176.600 0.013 0.000 0.988 80 E CA 1.067 57.483 56.400 0.027 0.000 0.799 80 E CB -0.182 29.479 29.700 -0.065 0.000 0.755 80 E HN 0.623 nan 8.360 nan 0.000 0.447 81 Y N -1.375 118.979 120.300 0.090 0.000 2.439 81 Y HA -0.139 4.411 4.550 0.000 0.000 0.292 81 Y C 1.841 177.808 175.900 0.111 0.000 1.130 81 Y CA 0.935 59.075 58.100 0.067 0.000 1.254 81 Y CB -0.168 38.292 38.460 -0.001 0.000 1.000 81 Y HN 0.296 nan 8.280 nan 0.000 0.554 82 W N 1.195 122.568 121.300 0.121 0.000 2.409 82 W HA -0.132 4.528 4.660 0.000 0.000 0.299 82 W C 2.444 179.003 176.519 0.067 0.000 1.203 82 W CA 1.949 59.347 57.345 0.089 0.000 1.298 82 W CB -0.142 29.364 29.460 0.077 0.000 1.127 82 W HN 0.082 nan 8.180 nan 0.000 0.528 83 E N 0.760 121.128 120.200 0.281 0.000 2.077 83 E HA -0.223 4.128 4.350 0.000 0.000 0.193 83 E C 1.887 178.479 176.600 -0.012 0.000 0.989 83 E CA 1.790 58.267 56.400 0.130 0.000 0.800 83 E CB -0.339 29.448 29.700 0.146 0.000 0.746 83 E HN -0.046 nan 8.360 nan 0.000 0.452 84 K N -0.194 120.200 120.400 -0.010 0.000 2.439 84 K HA 0.114 4.435 4.320 0.000 0.000 0.197 84 K C 0.797 177.378 176.600 -0.031 0.000 1.041 84 K CA 0.724 56.991 56.287 -0.033 0.000 0.970 84 K CB -0.017 32.446 32.500 -0.062 0.000 0.773 84 K HN 0.280 nan 8.250 nan 0.000 0.479 85 A N 1.646 124.425 122.820 -0.068 0.000 2.826 85 A HA -0.239 4.081 4.320 0.000 0.000 0.274 85 A C -0.214 177.392 177.584 0.037 0.000 1.443 85 A CA 1.208 53.193 52.037 -0.086 0.000 0.833 85 A CB -1.953 16.975 19.000 -0.120 0.000 1.023 85 A HN 0.482 nan 8.150 nan 0.000 0.600 86 E N -1.419 118.851 120.200 0.117 0.000 2.214 86 E HA 0.590 4.940 4.350 0.000 0.000 0.274 86 E C -0.369 176.372 176.600 0.236 0.000 0.977 86 E CA -0.875 55.656 56.400 0.218 0.000 0.827 86 E CB 0.988 30.847 29.700 0.264 0.000 1.130 86 E HN 0.445 nan 8.360 nan 0.000 0.394 87 F N 4.458 124.370 119.950 -0.064 0.000 2.427 87 F HA 0.226 4.753 4.527 0.000 0.000 0.352 87 F C -1.881 173.567 175.800 -0.587 0.000 1.100 87 F CA -2.348 55.373 58.000 -0.465 0.000 1.191 87 F CB 0.904 39.329 39.000 -0.959 0.000 1.128 87 F HN 0.206 nan 8.300 nan 0.000 0.533 88 P HA 0.098 nan 4.420 nan 0.000 0.247 88 P C 0.239 176.950 177.300 -0.981 0.000 1.756 88 P CA 0.177 62.512 63.100 -1.275 0.000 1.117 88 P CB -0.339 30.488 31.700 -1.455 0.000 1.869 89 F N 1.402 121.165 119.950 -0.312 0.000 2.216 89 F HA -0.193 4.334 4.527 0.000 0.000 0.300 89 F C 2.598 178.339 175.800 -0.098 0.000 1.085 89 F CA 1.352 59.296 58.000 -0.092 0.000 1.326 89 F CB -0.821 38.177 39.000 -0.004 0.000 1.027 89 F HN 0.441 nan 8.300 nan 0.000 0.497 90 H N -1.158 117.896 119.070 -0.026 0.000 2.563 90 H HA 0.025 4.581 4.556 0.000 0.000 0.272 90 H C 1.630 176.901 175.328 -0.094 0.000 1.005 90 H CA 0.831 56.859 56.048 -0.034 0.000 1.171 90 H CB -0.555 29.196 29.762 -0.019 0.000 1.351 90 H HN 0.297 nan 8.280 nan 0.000 0.602 91 I N 1.163 121.419 120.570 -0.524 0.000 3.462 91 I HA -0.083 4.087 4.170 0.000 0.000 0.290 91 I C 2.086 178.072 176.117 -0.218 0.000 1.236 91 I CA 0.443 61.478 61.300 -0.443 0.000 1.418 91 I CB -0.010 37.626 38.000 -0.606 0.000 1.102 91 I HN 0.107 nan 8.210 nan 0.000 0.441 92 T N 2.442 116.909 114.554 -0.145 0.000 2.592 92 T HA -0.160 4.191 4.350 0.000 0.000 0.267 92 T C -0.407 174.327 174.700 0.057 0.000 1.060 92 T CA 2.157 64.273 62.100 0.028 0.000 1.167 92 T CB -1.568 67.386 68.868 0.144 0.000 0.863 92 T HN 0.266 nan 8.240 nan 0.000 0.431 93 P HA -0.064 nan 4.420 nan 0.000 0.220 93 P C 1.187 178.503 177.300 0.027 0.000 1.148 93 P CA 1.172 64.301 63.100 0.048 0.000 0.803 93 P CB -0.053 31.677 31.700 0.048 0.000 0.782 94 K N -0.133 120.264 120.400 -0.004 0.000 2.148 94 K HA 0.010 4.330 4.320 0.000 0.000 0.204 94 K C 2.309 178.907 176.600 -0.003 0.000 1.050 94 K CA 0.846 57.124 56.287 -0.015 0.000 0.942 94 K CB -0.787 31.681 32.500 -0.053 0.000 0.724 94 K HN 0.300 nan 8.250 nan 0.000 0.446 95 L N 0.164 121.392 121.223 0.009 0.000 2.109 95 L HA -0.024 4.316 4.340 0.000 0.000 0.207 95 L C 2.444 179.345 176.870 0.052 0.000 1.086 95 L CA 1.233 56.098 54.840 0.041 0.000 0.760 95 L CB -0.735 41.383 42.059 0.098 0.000 0.910 95 L HN 0.226 nan 8.230 nan 0.000 0.437 96 G N -0.633 108.203 108.800 0.059 0.000 2.598 96 G HA2 -0.070 3.891 3.960 0.000 0.000 0.215 96 G HA3 -0.070 3.891 3.960 0.000 0.000 0.215 96 G C 1.601 176.527 174.900 0.044 0.000 1.131 96 G CA 0.672 45.806 45.100 0.056 0.000 0.785 96 G HN 0.434 nan 8.290 nan 0.000 0.539 97 A N 0.376 123.217 122.820 0.034 0.000 2.072 97 A HA 0.296 4.617 4.320 0.000 0.000 0.216 97 A C 2.286 179.884 177.584 0.022 0.000 1.156 97 A CA 0.644 52.697 52.037 0.027 0.000 0.701 97 A CB -0.186 18.827 19.000 0.021 0.000 0.816 97 A HN 0.367 nan 8.150 nan 0.000 0.458 98 M N -1.013 118.600 119.600 0.022 0.000 2.319 98 M HA 0.083 4.563 4.480 0.000 0.000 0.265 98 M C 1.317 177.629 176.300 0.019 0.000 1.068 98 M CA 1.058 56.369 55.300 0.017 0.000 1.118 98 M CB -0.238 32.371 32.600 0.015 0.000 1.395 98 M HN 0.617 nan 8.290 nan 0.000 0.435 99 G N 0.820 109.636 108.800 0.026 0.000 2.341 99 G HA2 -0.142 3.819 3.960 0.000 0.000 0.278 99 G HA3 -0.142 3.819 3.960 0.000 0.000 0.278 99 G C 0.180 175.092 174.900 0.021 0.000 1.111 99 G CA 0.069 45.184 45.100 0.026 0.000 0.982 99 G HN 0.310 nan 8.290 nan 0.000 0.502 100 V N -0.553 119.376 119.914 0.025 0.000 3.371 100 V HA 0.532 4.652 4.120 0.000 0.000 0.246 100 V C 1.921 178.029 176.094 0.025 0.000 1.303 100 V CA 1.101 63.411 62.300 0.016 0.000 1.156 100 V CB 0.040 31.871 31.823 0.014 0.000 0.929 100 V HN 1.441 nan 8.190 nan 0.000 0.459 101 A N 0.754 123.602 122.820 0.047 0.000 2.524 101 A HA 0.481 4.801 4.320 0.000 0.000 0.250 101 A C 1.526 179.156 177.584 0.076 0.000 1.078 101 A CA 1.120 53.207 52.037 0.084 0.000 0.761 101 A CB -0.548 18.520 19.000 0.114 0.000 1.012 101 A HN 1.281 nan 8.150 nan 0.000 0.500 102 G N 1.821 110.654 108.800 0.055 0.000 2.956 102 G HA2 0.057 4.017 3.960 0.000 0.000 0.210 102 G HA3 0.057 4.017 3.960 0.000 0.000 0.210 102 G C 1.865 176.768 174.900 0.005 0.000 1.316 102 G CA 1.057 46.174 45.100 0.028 0.000 0.819 102 G HN 2.677 nan 8.290 nan 0.000 0.544 103 G N 0.220 109.023 108.800 0.005 0.000 3.284 103 G HA2 -0.342 3.619 3.960 0.000 0.000 0.351 103 G HA3 -0.342 3.619 3.960 0.000 0.000 0.351 103 G C 1.698 176.588 174.900 -0.017 0.000 1.232 103 G CA 2.660 47.749 45.100 -0.018 0.000 1.001 103 G HN 1.817 nan 8.290 nan 0.000 0.639 104 S N 0.917 116.600 115.700 -0.029 0.000 2.428 104 S HA 0.186 4.657 4.470 0.000 0.000 0.230 104 S C 1.355 175.965 174.600 0.016 0.000 1.014 104 S CA 0.785 58.977 58.200 -0.013 0.000 0.957 104 S CB -0.140 63.042 63.200 -0.030 0.000 0.784 104 S HN 0.505 nan 8.310 nan 0.000 0.499 105 I N 2.708 123.292 120.570 0.023 0.000 2.668 105 I HA 0.005 4.175 4.170 0.000 0.000 0.285 105 I C 0.393 176.559 176.117 0.081 0.000 1.168 105 I CA 0.205 61.543 61.300 0.064 0.000 1.424 105 I CB 0.310 38.353 38.000 0.071 0.000 1.377 105 I HN -0.100 nan 8.210 nan 0.000 0.560 106 K N 5.473 125.929 120.400 0.095 0.000 2.183 106 K HA 0.532 4.852 4.320 0.000 0.000 0.274 106 K C 0.456 177.075 176.600 0.031 0.000 1.009 106 K CA 0.072 56.389 56.287 0.051 0.000 0.888 106 K CB 1.512 34.026 32.500 0.023 0.000 1.078 106 K HN 0.920 nan 8.250 nan 0.000 0.459 107 G N 1.936 110.708 108.800 -0.047 0.000 2.642 107 G HA2 -0.323 3.637 3.960 0.000 0.000 0.231 107 G HA3 -0.323 3.637 3.960 0.000 0.000 0.231 107 G C -0.503 174.359 174.900 -0.064 0.000 1.338 107 G CA 0.005 44.986 45.100 -0.197 0.000 0.883 107 G HN 0.690 nan 8.290 nan 0.000 0.570 108 Y N -1.348 118.956 120.300 0.007 0.000 3.491 108 Y HA -0.074 4.477 4.550 0.001 0.000 0.215 108 Y C 2.243 178.153 175.900 0.017 0.000 1.219 108 Y CA 1.979 60.085 58.100 0.011 0.000 1.485 108 Y CB -1.731 36.737 38.460 0.013 0.000 1.450 108 Y HN 2.692 nan 8.280 nan 0.000 0.603 109 G N -2.034 106.820 108.800 0.090 0.000 2.168 109 G HA2 -0.335 3.626 3.960 0.000 0.000 0.257 109 G HA3 -0.335 3.626 3.960 0.000 0.000 0.257 109 G C 0.124 175.070 174.900 0.077 0.000 0.997 109 G CA -0.037 45.107 45.100 0.073 0.000 0.708 109 G HN 0.679 nan 8.290 nan 0.000 0.520 110 C N 0.467 119.817 119.300 0.084 0.000 2.365 110 C HA 0.599 5.060 4.460 0.000 0.000 0.349 110 C C 0.356 175.372 174.990 0.044 0.000 1.191 110 C CA -0.680 58.381 59.018 0.072 0.000 2.114 110 C CB 1.495 29.290 27.740 0.091 0.000 2.367 110 C HN 0.353 nan 8.230 nan 0.000 0.530 111 P HA -0.001 nan 4.420 nan 0.000 0.218 111 P C 0.769 178.077 177.300 0.013 0.000 1.148 111 P CA 1.962 65.075 63.100 0.021 0.000 0.822 111 P CB -0.009 31.701 31.700 0.017 0.000 0.784 112 G N 0.260 109.070 108.800 0.016 0.000 2.353 112 G HA2 -0.203 3.758 3.960 0.000 0.000 0.294 112 G HA3 -0.203 3.758 3.960 0.000 0.000 0.294 112 G C -0.203 174.698 174.900 0.001 0.000 1.077 112 G CA -0.189 44.917 45.100 0.011 0.000 1.098 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.358 121.578 121.223 -0.005 0.000 2.416 113 L HA 0.652 4.992 4.340 0.000 0.000 0.262 113 L C 1.455 178.314 176.870 -0.019 0.000 1.093 113 L CA -0.450 54.380 54.840 -0.017 0.000 0.801 113 L CB 1.268 43.309 42.059 -0.030 0.000 1.191 113 L HN 0.514 nan 8.230 nan 0.000 0.459 114 S N 0.154 115.839 115.700 -0.025 0.000 2.603 114 S HA 0.105 4.575 4.470 0.000 0.000 0.268 114 S C 0.889 175.457 174.600 -0.054 0.000 1.317 114 S CA -0.613 57.573 58.200 -0.024 0.000 1.012 114 S CB 1.112 64.300 63.200 -0.020 0.000 0.926 114 S HN 0.576 nan 8.310 nan 0.000 0.539 115 I N 1.934 122.486 120.570 -0.030 0.000 2.264 115 I HA -0.155 4.015 4.170 0.000 0.000 0.248 115 I C 2.182 178.181 176.117 -0.196 0.000 1.111 115 I CA 1.965 63.215 61.300 -0.085 0.000 1.382 115 I CB -0.919 37.103 38.000 0.036 0.000 1.060 115 I HN 0.894 nan 8.210 nan 0.000 0.418 116 T N 0.732 115.191 114.554 -0.159 0.000 2.777 116 T HA -0.073 4.277 4.350 0.000 0.000 0.266 116 T C 1.972 176.507 174.700 -0.276 0.000 1.040 116 T CA 1.331 63.298 62.100 -0.222 0.000 1.141 116 T CB -0.617 68.207 68.868 -0.074 0.000 0.868 116 T HN 0.508 nan 8.240 nan 0.000 0.444 117 A N 1.800 124.522 122.820 -0.164 0.000 1.898 117 A HA -0.086 4.235 4.320 0.000 0.000 0.216 117 A C 2.170 179.644 177.584 -0.184 0.000 1.181 117 A CA 1.581 53.536 52.037 -0.137 0.000 0.620 117 A CB -0.876 18.084 19.000 -0.068 0.000 0.819 117 A HN 0.591 nan 8.150 nan 0.000 0.442 118 N N -0.448 118.137 118.700 -0.190 0.000 2.309 118 N HA -0.057 4.684 4.740 0.000 0.000 0.182 118 N C 1.777 177.114 175.510 -0.288 0.000 1.018 118 N CA 0.781 53.719 53.050 -0.187 0.000 0.876 118 N CB -0.121 38.276 38.487 -0.150 0.000 0.972 118 N HN 0.451 nan 8.380 nan 0.000 0.434 119 A N 0.818 123.337 122.820 -0.501 0.000 1.874 119 A HA -0.035 4.286 4.320 0.000 0.000 0.214 119 A C 1.992 179.034 177.584 -0.902 0.000 1.189 119 A CA 0.513 52.015 52.037 -0.892 0.000 0.615 119 A CB -0.425 17.599 19.000 -1.626 0.000 0.830 119 A HN 0.318 nan 8.150 nan 0.000 0.443 120 I N -0.110 119.975 120.570 -0.807 0.000 2.614 120 I HA -0.127 4.044 4.170 0.000 0.000 0.258 120 I C 2.445 178.497 176.117 -0.109 0.000 1.189 120 I CA 1.084 62.154 61.300 -0.384 0.000 1.462 120 I CB -0.153 37.742 38.000 -0.175 0.000 1.092 120 I HN 0.291 nan 8.210 nan 0.000 0.442 121 A N -0.713 122.025 122.820 -0.136 0.000 1.873 121 A HA -0.174 4.147 4.320 0.000 0.000 0.215 121 A C 2.328 179.905 177.584 -0.012 0.000 1.186 121 A CA 2.261 54.267 52.037 -0.052 0.000 0.616 121 A CB -1.315 17.649 19.000 -0.060 0.000 0.823 121 A HN 0.422 nan 8.150 nan 0.000 0.442 122 T N 0.677 115.212 114.554 -0.032 0.000 2.720 122 T HA -0.097 4.253 4.350 0.000 0.000 0.268 122 T C 2.203 176.972 174.700 0.114 0.000 1.037 122 T CA 1.754 63.877 62.100 0.038 0.000 1.144 122 T CB -0.569 68.320 68.868 0.034 0.000 0.864 122 T HN 0.609 nan 8.240 nan 0.000 0.444 123 A N 2.038 124.963 122.820 0.174 0.000 1.865 123 A HA -0.163 4.158 4.320 0.000 0.000 0.217 123 A C 2.231 179.929 177.584 0.191 0.000 1.191 123 A CA 1.421 53.624 52.037 0.277 0.000 0.623 123 A CB -0.475 18.815 19.000 0.483 0.000 0.826 123 A HN 0.372 nan 8.150 nan 0.000 0.444 124 E N -0.419 119.869 120.200 0.145 0.000 2.472 124 E HA -0.039 4.311 4.350 0.000 0.000 0.200 124 E C 1.739 178.363 176.600 0.040 0.000 1.046 124 E CA 0.538 56.996 56.400 0.098 0.000 0.871 124 E CB -0.214 29.534 29.700 0.080 0.000 0.806 124 E HN 0.776 nan 8.360 nan 0.000 0.533 125 I N 0.425 121.026 120.570 0.052 0.000 2.364 125 I HA -0.085 4.086 4.170 0.000 0.000 0.241 125 I C 2.393 178.540 176.117 0.050 0.000 1.082 125 I CA 0.728 62.048 61.300 0.033 0.000 1.401 125 I CB -0.337 37.695 38.000 0.054 0.000 1.126 125 I HN -0.055 nan 8.210 nan 0.000 0.429 126 A N 1.116 123.994 122.820 0.097 0.000 2.076 126 A HA -0.242 4.079 4.320 0.000 0.000 0.220 126 A C 2.418 180.075 177.584 0.121 0.000 1.160 126 A CA 1.594 53.703 52.037 0.120 0.000 0.653 126 A CB -0.771 18.317 19.000 0.146 0.000 0.801 126 A HN 0.388 nan 8.150 nan 0.000 0.455 127 R N -0.215 120.358 120.500 0.121 0.000 2.083 127 R HA -0.123 4.217 4.340 0.000 0.000 0.237 127 R C 1.749 178.139 176.300 0.150 0.000 1.137 127 R CA 2.260 58.455 56.100 0.159 0.000 0.951 127 R CB -0.435 29.960 30.300 0.158 0.000 0.851 127 R HN 0.319 nan 8.270 nan 0.000 0.434 128 V N 0.006 119.877 119.914 -0.071 0.000 2.379 128 V HA -0.038 4.082 4.120 0.000 0.000 0.243 128 V C 0.386 176.470 176.094 -0.017 0.000 1.035 128 V CA 1.457 63.594 62.300 -0.271 0.000 1.035 128 V CB -0.249 31.249 31.823 -0.541 0.000 0.673 128 V HN 0.399 nan 8.190 nan 0.000 0.457 129 D N -1.978 118.423 120.400 0.002 0.000 2.970 129 D HA 0.539 5.179 4.640 0.000 0.000 0.230 129 D C 0.392 176.748 176.300 0.093 0.000 1.276 129 D CA 0.217 54.246 54.000 0.047 0.000 0.910 129 D CB 1.934 42.749 40.800 0.025 0.000 1.590 129 D HN 0.050 nan 8.370 nan 0.000 0.551 130 A N 2.363 125.258 122.820 0.125 0.000 1.968 130 A HA -0.023 4.297 4.320 0.000 0.000 0.217 130 A C 1.963 179.669 177.584 0.203 0.000 1.169 130 A CA 1.421 53.557 52.037 0.165 0.000 0.638 130 A CB -0.241 18.864 19.000 0.174 0.000 0.812 130 A HN 0.511 nan 8.150 nan 0.000 0.446 131 S N -0.691 115.144 115.700 0.225 0.000 2.351 131 S HA -0.224 4.246 4.470 0.000 0.000 0.220 131 S C 1.886 176.634 174.600 0.245 0.000 1.035 131 S CA 1.585 59.937 58.200 0.253 0.000 1.031 131 S CB -0.768 62.607 63.200 0.291 0.000 0.928 131 S HN 0.694 nan 8.310 nan 0.000 0.433 132 C N 1.167 120.571 119.300 0.173 0.000 2.419 132 C HA 0.032 4.492 4.460 0.000 0.000 0.283 132 C C 3.153 178.304 174.990 0.268 0.000 1.373 132 C CA 0.870 60.004 59.018 0.193 0.000 1.781 132 C CB -1.375 26.385 27.740 0.033 0.000 1.886 132 C HN 0.680 nan 8.230 nan 0.000 0.520 133 S N 0.010 115.833 115.700 0.204 0.000 2.371 133 S HA -0.137 4.333 4.470 0.000 0.000 0.224 133 S C 1.901 176.620 174.600 0.198 0.000 1.029 133 S CA 2.219 60.526 58.200 0.180 0.000 0.978 133 S CB -0.307 62.987 63.200 0.156 0.000 0.833 133 S HN 0.668 nan 8.310 nan 0.000 0.466 134 T N 1.831 116.524 114.554 0.232 0.000 2.777 134 T HA -0.029 4.321 4.350 0.000 0.000 0.266 134 T C 1.342 176.169 174.700 0.211 0.000 1.040 134 T CA 1.359 63.590 62.100 0.218 0.000 1.141 134 T CB -0.576 68.403 68.868 0.185 0.000 0.868 134 T HN 0.541 nan 8.240 nan 0.000 0.444 135 F N 1.948 121.990 119.950 0.155 0.000 2.063 135 F HA -0.157 4.370 4.527 0.000 0.000 0.298 135 F C 1.925 177.814 175.800 0.147 0.000 1.109 135 F CA 1.231 59.333 58.000 0.170 0.000 1.212 135 F CB -0.610 38.574 39.000 0.307 0.000 0.973 135 F HN 0.097 nan 8.300 nan 0.000 0.480 136 I N -0.169 120.327 120.570 -0.123 0.000 2.202 136 I HA -0.255 3.915 4.170 0.000 0.000 0.242 136 I C 2.531 178.597 176.117 -0.086 0.000 1.091 136 I CA 1.307 62.471 61.300 -0.227 0.000 1.368 136 I CB -0.517 37.479 38.000 -0.007 0.000 1.058 136 I HN 0.302 nan 8.210 nan 0.000 0.410 137 L N 0.332 121.552 121.223 -0.004 0.000 2.012 137 L HA -0.232 4.108 4.340 0.000 0.000 0.210 137 L C 2.498 179.345 176.870 -0.039 0.000 1.073 137 L CA 1.517 56.355 54.840 -0.004 0.000 0.748 137 L CB -0.149 41.943 42.059 0.054 0.000 0.891 137 L HN -0.019 nan 8.230 nan 0.000 0.431 138 V N -0.654 119.252 119.914 -0.013 0.000 2.407 138 V HA -0.332 3.788 4.120 0.000 0.000 0.248 138 V C 2.383 178.446 176.094 -0.052 0.000 1.055 138 V CA 2.153 64.442 62.300 -0.019 0.000 1.049 138 V CB -0.869 30.976 31.823 0.037 0.000 0.662 138 V HN 0.678 nan 8.190 nan 0.000 0.455 139 H N -0.533 118.416 119.070 -0.203 0.000 2.326 139 H HA -0.115 4.442 4.556 0.000 0.000 0.301 139 H C 2.537 177.774 175.328 -0.152 0.000 1.081 139 H CA 2.107 58.024 56.048 -0.219 0.000 1.334 139 H CB 0.060 29.575 29.762 -0.412 0.000 1.385 139 H HN 0.361 nan 8.280 nan 0.000 0.504 140 S N -1.371 114.276 115.700 -0.087 0.000 2.384 140 S HA 0.004 4.474 4.470 0.000 0.000 0.217 140 S C 2.176 176.690 174.600 -0.142 0.000 1.041 140 S CA 0.810 58.952 58.200 -0.096 0.000 0.948 140 S CB -0.293 62.917 63.200 0.016 0.000 0.872 140 S HN 0.464 nan 8.310 nan 0.000 0.512 141 S N 0.875 116.490 115.700 -0.142 0.000 2.461 141 S HA 0.295 4.765 4.470 0.000 0.000 0.228 141 S C 1.555 175.986 174.600 -0.281 0.000 1.005 141 S CA 0.471 58.561 58.200 -0.184 0.000 0.942 141 S CB -0.069 63.031 63.200 -0.167 0.000 0.776 141 S HN 0.381 nan 8.310 nan 0.000 0.514 142 L N -0.178 120.845 121.223 -0.334 0.000 2.435 142 L HA 0.275 4.615 4.340 0.000 0.000 0.195 142 L C 2.519 179.167 176.870 -0.371 0.000 1.072 142 L CA 0.662 55.131 54.840 -0.618 0.000 0.833 142 L CB -0.833 40.750 42.059 -0.793 0.000 1.081 142 L HN 0.356 nan 8.230 nan 0.000 0.485 143 G N 0.087 108.792 108.800 -0.157 0.000 2.616 143 G HA2 -0.218 3.743 3.960 0.000 0.000 0.215 143 G HA3 -0.218 3.743 3.960 0.000 0.000 0.215 143 G C 1.500 176.331 174.900 -0.115 0.000 1.284 143 G CA 0.562 45.636 45.100 -0.043 0.000 0.823 143 G HN 0.062 nan 8.290 nan 0.000 0.569 144 M N -0.228 119.229 119.600 -0.238 0.000 2.106 144 M HA -0.093 4.387 4.480 0.000 0.000 0.259 144 M C 2.567 178.797 176.300 -0.116 0.000 1.068 144 M CA 1.216 56.402 55.300 -0.191 0.000 1.100 144 M CB -0.468 32.006 32.600 -0.210 0.000 1.351 144 M HN 0.250 nan 8.290 nan 0.000 0.404 145 L N 0.087 121.240 121.223 -0.116 0.000 2.083 145 L HA -0.135 4.205 4.340 0.000 0.000 0.209 145 L C 2.328 179.166 176.870 -0.053 0.000 1.083 145 L CA 1.855 56.642 54.840 -0.088 0.000 0.752 145 L CB -0.738 41.250 42.059 -0.117 0.000 0.899 145 L HN 0.212 nan 8.230 nan 0.000 0.433 146 T N -0.133 114.412 114.554 -0.016 0.000 2.720 146 T HA -0.189 4.161 4.350 0.000 0.000 0.268 146 T C 1.931 176.631 174.700 0.001 0.000 1.037 146 T CA 2.091 64.237 62.100 0.076 0.000 1.144 146 T CB -0.335 68.712 68.868 0.299 0.000 0.864 146 T HN 0.321 nan 8.240 nan 0.000 0.444 147 I N 1.133 121.677 120.570 -0.043 0.000 2.252 147 I HA -0.144 4.026 4.170 0.000 0.000 0.245 147 I C 2.829 178.882 176.117 -0.107 0.000 1.102 147 I CA 1.020 62.270 61.300 -0.082 0.000 1.385 147 I CB -0.380 37.567 38.000 -0.087 0.000 1.064 147 I HN 0.185 nan 8.210 nan 0.000 0.414 148 A N 0.302 123.058 122.820 -0.107 0.000 2.015 148 A HA -0.069 4.252 4.320 0.000 0.000 0.219 148 A C 2.199 179.740 177.584 -0.072 0.000 1.163 148 A CA 1.365 53.326 52.037 -0.126 0.000 0.646 148 A CB -0.386 18.569 19.000 -0.074 0.000 0.806 148 A HN 0.422 nan 8.150 nan 0.000 0.448 149 L N -2.441 118.755 121.223 -0.044 0.000 2.467 149 L HA 0.037 4.377 4.340 0.000 0.000 0.213 149 L C 1.820 178.674 176.870 -0.027 0.000 1.053 149 L CA 0.367 55.194 54.840 -0.022 0.000 0.847 149 L CB 0.189 42.243 42.059 -0.008 0.000 1.075 149 L HN 0.380 nan 8.230 nan 0.000 0.479 150 C N -0.362 118.918 119.300 -0.034 0.000 3.065 150 C HA 0.350 4.810 4.460 0.000 0.000 0.285 150 C C 1.543 176.489 174.990 -0.074 0.000 1.257 150 C CA -0.628 58.362 59.018 -0.046 0.000 1.691 150 C CB -0.558 27.161 27.740 -0.034 0.000 2.089 150 C HN 0.421 nan 8.230 nan 0.000 0.630 151 G N 1.344 110.097 108.800 -0.079 0.000 2.599 151 G HA2 0.426 4.386 3.960 0.000 0.000 0.264 151 G HA3 0.426 4.386 3.960 0.000 0.000 0.264 151 G C 0.145 175.005 174.900 -0.066 0.000 1.200 151 G CA 0.222 45.273 45.100 -0.082 0.000 0.896 151 G HN 0.518 nan 8.290 nan 0.000 0.536 152 S N -0.638 115.033 115.700 -0.048 0.000 2.652 152 S HA 0.266 4.737 4.470 0.000 0.000 0.270 152 S C 0.964 175.542 174.600 -0.036 0.000 1.243 152 S CA -0.468 57.713 58.200 -0.031 0.000 0.999 152 S CB 1.721 64.913 63.200 -0.013 0.000 0.973 152 S HN 0.566 nan 8.310 nan 0.000 0.544 153 E N 1.088 121.283 120.200 -0.008 0.000 2.160 153 E HA -0.151 4.200 4.350 0.000 0.000 0.195 153 E C 2.186 178.793 176.600 0.013 0.000 0.991 153 E CA 1.504 57.917 56.400 0.021 0.000 0.810 153 E CB -0.815 28.922 29.700 0.061 0.000 0.742 153 E HN 0.811 nan 8.360 nan 0.000 0.466 154 A N 0.867 123.687 122.820 0.000 0.000 1.968 154 A HA -0.184 4.136 4.320 0.000 0.000 0.217 154 A C 2.102 179.659 177.584 -0.046 0.000 1.169 154 A CA 1.211 53.240 52.037 -0.013 0.000 0.638 154 A CB -0.286 18.710 19.000 -0.007 0.000 0.812 154 A HN 0.197 nan 8.150 nan 0.000 0.446 155 Q N -0.338 119.451 119.800 -0.020 0.000 2.096 155 Q HA -0.081 4.259 4.340 0.000 0.000 0.197 155 Q C 1.996 177.996 176.000 -0.000 0.000 0.964 155 Q CA 1.363 57.192 55.803 0.042 0.000 0.838 155 Q CB -0.127 28.690 28.738 0.131 0.000 0.906 155 Q HN 0.624 nan 8.270 nan 0.000 0.444 156 K N 0.737 121.059 120.400 -0.131 0.000 2.032 156 K HA -0.155 4.165 4.320 0.000 0.000 0.209 156 K C 1.872 178.339 176.600 -0.222 0.000 1.048 156 K CA 1.102 57.172 56.287 -0.362 0.000 0.927 156 K CB 0.006 31.980 32.500 -0.877 0.000 0.712 156 K HN 0.151 nan 8.250 nan 0.000 0.441 157 E N 0.685 120.859 120.200 -0.044 0.000 2.347 157 E HA -0.137 4.214 4.350 0.000 0.000 0.196 157 E C 1.774 178.363 176.600 -0.018 0.000 1.008 157 E CA 0.769 57.230 56.400 0.100 0.000 0.852 157 E CB 0.217 29.987 29.700 0.118 0.000 0.783 157 E HN 0.277 nan 8.360 nan 0.000 0.505 158 K N -0.378 119.932 120.400 -0.150 0.000 2.141 158 K HA -0.032 4.288 4.320 0.000 0.000 0.202 158 K C 1.569 177.962 176.600 -0.346 0.000 1.045 158 K CA 0.578 56.663 56.287 -0.337 0.000 0.971 158 K CB 0.193 32.314 32.500 -0.632 0.000 0.795 158 K HN 0.033 nan 8.250 nan 0.000 0.459 159 Y N 0.630 120.924 120.300 -0.010 0.000 2.314 159 Y HA 0.063 4.614 4.550 0.001 0.000 0.294 159 Y C 2.087 177.989 175.900 0.003 0.000 1.139 159 Y CA 0.089 58.185 58.100 -0.005 0.000 1.162 159 Y CB -0.185 38.258 38.460 -0.028 0.000 1.121 159 Y HN -0.126 nan 8.280 nan 0.000 0.529 160 L N 0.378 121.680 121.223 0.133 0.000 2.010 160 L HA -0.246 4.095 4.340 0.000 0.000 0.219 160 L C -0.610 176.326 176.870 0.111 0.000 1.077 160 L CA 1.759 56.649 54.840 0.083 0.000 0.773 160 L CB -1.948 40.124 42.059 0.021 0.000 0.892 160 L HN 0.196 nan 8.230 nan 0.000 0.436 161 P HA -0.202 nan 4.420 nan 0.000 0.216 161 P C 1.919 179.282 177.300 0.104 0.000 1.153 161 P CA 1.824 64.988 63.100 0.106 0.000 0.858 161 P CB 0.023 31.776 31.700 0.088 0.000 0.789 162 S N -1.816 113.950 115.700 0.111 0.000 2.414 162 S HA -0.046 4.424 4.470 0.000 0.000 0.227 162 S C 1.682 176.376 174.600 0.155 0.000 1.022 162 S CA 0.630 58.903 58.200 0.122 0.000 0.958 162 S CB -0.806 62.467 63.200 0.123 0.000 0.797 162 S HN -0.104 nan 8.310 nan 0.000 0.493 163 L N 1.450 122.777 121.223 0.173 0.000 2.156 163 L HA 0.203 4.544 4.340 0.000 0.000 0.208 163 L C 2.638 179.686 176.870 0.296 0.000 1.095 163 L CA 1.476 56.462 54.840 0.243 0.000 0.770 163 L CB -0.842 41.288 42.059 0.118 0.000 0.914 163 L HN 0.351 nan 8.230 nan 0.000 0.439 164 A N -1.463 121.466 122.820 0.183 0.000 2.014 164 A HA -0.138 4.182 4.320 0.000 0.000 0.218 164 A C 2.076 179.734 177.584 0.123 0.000 1.163 164 A CA 0.993 53.121 52.037 0.151 0.000 0.652 164 A CB -0.237 18.829 19.000 0.109 0.000 0.808 164 A HN 0.384 nan 8.150 nan 0.000 0.449 165 Q N -1.490 118.379 119.800 0.115 0.000 2.403 165 Q HA 0.188 4.528 4.340 0.000 0.000 0.203 165 Q C -0.207 175.849 176.000 0.093 0.000 0.932 165 Q CA 0.004 55.862 55.803 0.092 0.000 0.945 165 Q CB 0.362 29.149 28.738 0.083 0.000 1.045 165 Q HN 0.422 nan 8.270 nan 0.000 0.511 166 L N 0.214 121.499 121.223 0.104 0.000 4.040 166 L HA -0.297 4.043 4.340 0.000 0.000 0.410 166 L C 0.522 177.468 176.870 0.127 0.000 1.187 166 L CA 0.797 55.686 54.840 0.082 0.000 0.956 166 L CB -2.424 39.673 42.059 0.064 0.000 2.022 166 L HN 0.307 nan 8.230 nan 0.000 0.897 167 N N -1.511 117.268 118.700 0.131 0.000 2.354 167 N HA 0.046 4.787 4.740 0.000 0.000 0.179 167 N C 0.505 176.108 175.510 0.156 0.000 1.021 167 N CA 1.112 54.241 53.050 0.131 0.000 0.887 167 N CB 0.230 38.782 38.487 0.110 0.000 0.974 167 N HN 0.676 nan 8.380 nan 0.000 0.437 168 T N -1.462 113.199 114.554 0.179 0.000 2.876 168 T HA 0.596 4.946 4.350 0.000 0.000 0.289 168 T C -0.568 174.291 174.700 0.265 0.000 1.014 168 T CA -0.860 61.361 62.100 0.202 0.000 0.986 168 T CB 2.491 71.469 68.868 0.183 0.000 1.021 168 T HN -0.316 nan 8.240 nan 0.000 0.458 169 V N 1.734 121.804 119.914 0.261 0.000 2.459 169 V HA 0.809 4.929 4.120 0.000 0.000 0.295 169 V C 0.315 176.537 176.094 0.212 0.000 1.029 169 V CA -0.829 61.655 62.300 0.305 0.000 0.874 169 V CB 1.218 33.238 31.823 0.328 0.000 0.985 169 V HN 1.313 nan 8.190 nan 0.000 0.438 170 A N 3.688 126.661 122.820 0.256 0.000 2.330 170 A HA 0.921 5.242 4.320 0.000 0.000 0.329 170 A C -0.208 177.370 177.584 -0.010 0.000 1.135 170 A CA -0.421 51.619 52.037 0.005 0.000 0.817 170 A CB 1.445 20.356 19.000 -0.149 0.000 1.269 170 A HN 1.370 nan 8.150 nan 0.000 0.469 171 C N -1.631 117.660 119.300 -0.015 0.000 2.994 171 C HA 0.881 5.341 4.460 0.000 0.000 0.304 171 C C -1.259 173.824 174.990 0.155 0.000 1.273 171 C CA -0.982 58.058 59.018 0.036 0.000 1.537 171 C CB 0.454 28.173 27.740 -0.035 0.000 2.001 171 C HN 0.920 nan 8.230 nan 0.000 0.471 172 W N 2.137 123.436 121.300 -0.001 0.000 2.417 172 W HA 0.635 5.295 4.660 0.000 0.000 0.315 172 W C -0.227 176.356 176.519 0.108 0.000 1.045 172 W CA -0.426 56.965 57.345 0.077 0.000 1.221 172 W CB 1.807 31.314 29.460 0.079 0.000 1.309 172 W HN 1.115 nan 8.180 nan 0.000 0.453 173 A N 6.766 129.522 122.820 -0.106 0.000 2.802 173 A HA 0.405 4.725 4.320 0.000 0.000 0.344 173 A C -0.355 177.133 177.584 -0.160 0.000 1.215 173 A CA -0.347 51.644 52.037 -0.077 0.000 0.821 173 A CB 0.354 19.331 19.000 -0.039 0.000 1.099 173 A HN 0.751 nan 8.150 nan 0.000 0.479 174 L N 1.690 122.727 121.223 -0.311 0.000 2.445 174 L HA 0.280 4.620 4.340 0.000 0.000 0.207 174 L C 0.996 177.774 176.870 -0.153 0.000 1.053 174 L CA 1.499 56.099 54.840 -0.400 0.000 0.841 174 L CB 0.097 41.689 42.059 -0.777 0.000 1.074 174 L HN 0.408 nan 8.230 nan 0.000 0.479 175 T N 1.464 115.995 114.554 -0.037 0.000 2.918 175 T HA 0.279 4.629 4.350 0.000 0.000 0.302 175 T C -0.240 174.486 174.700 0.044 0.000 1.045 175 T CA -0.145 61.975 62.100 0.034 0.000 1.114 175 T CB 0.699 69.644 68.868 0.128 0.000 0.965 175 T HN 0.243 nan 8.240 nan 0.000 0.540 176 E N 2.072 122.298 120.200 0.043 0.000 2.359 176 E HA 0.263 4.613 4.350 0.000 0.000 0.266 176 E C -1.887 174.756 176.600 0.071 0.000 0.920 176 E CA -2.331 54.092 56.400 0.038 0.000 0.788 176 E CB 1.753 31.452 29.700 -0.001 0.000 1.279 176 E HN 0.226 nan 8.360 nan 0.000 0.438 177 P HA -0.136 nan 4.420 nan 0.000 0.216 177 P C 0.287 177.618 177.300 0.053 0.000 1.153 177 P CA 1.259 64.397 63.100 0.064 0.000 0.848 177 P CB 0.268 31.983 31.700 0.025 0.000 0.787 178 D N -1.611 118.806 120.400 0.027 0.000 2.149 178 D HA -0.029 4.612 4.640 0.000 0.000 0.201 178 D C 0.395 176.703 176.300 0.014 0.000 0.972 178 D CA 1.058 55.068 54.000 0.017 0.000 0.835 178 D CB -0.277 40.525 40.800 0.003 0.000 0.966 178 D HN 0.117 nan 8.370 nan 0.000 0.476 179 N N -0.315 118.390 118.700 0.007 0.000 2.483 179 N HA 0.371 5.111 4.740 0.000 0.000 0.267 179 N C 0.282 175.793 175.510 0.002 0.000 0.998 179 N CA -0.132 52.911 53.050 -0.011 0.000 0.918 179 N CB 2.110 40.569 38.487 -0.048 0.000 1.215 179 N HN 0.097 nan 8.380 nan 0.000 0.500 180 G N 0.657 109.465 108.800 0.015 0.000 2.478 180 G HA2 -0.040 3.920 3.960 0.000 0.000 0.211 180 G HA3 -0.040 3.920 3.960 0.000 0.000 0.211 180 G C 1.057 175.966 174.900 0.015 0.000 1.726 180 G CA 0.149 45.266 45.100 0.029 0.000 0.725 180 G HN 0.417 nan 8.290 nan 0.000 0.654 181 S N 0.649 116.363 115.700 0.024 0.000 2.387 181 S HA -0.034 4.436 4.470 0.000 0.000 0.226 181 S C 1.056 175.675 174.600 0.031 0.000 1.026 181 S CA 0.874 59.098 58.200 0.039 0.000 0.972 181 S CB -0.111 63.120 63.200 0.052 0.000 0.814 181 S HN 0.388 nan 8.310 nan 0.000 0.477 182 D N 1.304 121.708 120.400 0.006 0.000 2.688 182 D HA 0.445 5.085 4.640 0.000 0.000 0.228 182 D C 0.897 177.130 176.300 -0.111 0.000 1.116 182 D CA -0.059 53.922 54.000 -0.033 0.000 1.023 182 D CB 0.033 40.823 40.800 -0.017 0.000 1.100 182 D HN 0.194 nan 8.370 nan 0.000 0.487 183 A N 0.934 123.656 122.820 -0.163 0.000 1.968 183 A HA -0.126 4.194 4.320 0.000 0.000 0.217 183 A C 2.175 179.432 177.584 -0.544 0.000 1.169 183 A CA 1.347 53.210 52.037 -0.291 0.000 0.638 183 A CB -0.385 18.468 19.000 -0.245 0.000 0.812 183 A HN 0.472 nan 8.150 nan 0.000 0.446 184 S N -0.809 114.500 115.700 -0.651 0.000 2.507 184 S HA 0.125 4.595 4.470 0.000 0.000 0.235 184 S C 1.328 175.722 174.600 -0.343 0.000 0.988 184 S CA 0.800 58.564 58.200 -0.727 0.000 0.944 184 S CB -0.388 62.523 63.200 -0.482 0.000 0.762 184 S HN 0.693 nan 8.310 nan 0.000 0.526 185 G N 2.112 110.771 108.800 -0.235 0.000 3.820 185 G HA2 0.495 4.455 3.960 0.000 0.000 0.293 185 G HA3 0.495 4.455 3.960 0.000 0.000 0.293 185 G C 0.195 175.027 174.900 -0.113 0.000 1.152 185 G CA -0.760 44.258 45.100 -0.135 0.000 0.921 185 G HN 0.612 nan 8.290 nan 0.000 0.544 186 L N -2.370 118.767 121.223 -0.144 0.000 2.479 186 L HA 0.726 5.066 4.340 0.000 0.000 0.270 186 L C 0.969 177.801 176.870 -0.063 0.000 1.236 186 L CA 0.027 54.806 54.840 -0.102 0.000 0.823 186 L CB 0.976 42.964 42.059 -0.119 0.000 1.098 186 L HN -0.054 nan 8.230 nan 0.000 0.500 187 G N -0.030 108.743 108.800 -0.046 0.000 3.519 187 G HA2 0.148 4.108 3.960 0.000 0.000 0.269 187 G HA3 0.148 4.108 3.960 0.000 0.000 0.269 187 G C 0.256 175.137 174.900 -0.031 0.000 1.028 187 G CA -0.093 44.987 45.100 -0.033 0.000 0.809 187 G HN 0.624 nan 8.290 nan 0.000 0.521 188 T N 2.415 116.947 114.554 -0.037 0.000 2.752 188 T HA 0.398 4.748 4.350 0.000 0.000 0.295 188 T C 0.671 175.340 174.700 -0.052 0.000 0.923 188 T CA 0.067 62.138 62.100 -0.047 0.000 1.112 188 T CB 0.962 69.797 68.868 -0.055 0.000 0.884 188 T HN 0.302 nan 8.240 nan 0.000 0.525 189 T N 0.304 114.826 114.554 -0.054 0.000 2.909 189 T HA 0.638 4.988 4.350 0.000 0.000 0.286 189 T C 0.048 174.694 174.700 -0.089 0.000 1.002 189 T CA -1.103 60.972 62.100 -0.042 0.000 1.074 189 T CB 1.352 70.212 68.868 -0.015 0.000 0.984 189 T HN 0.538 nan 8.240 nan 0.000 0.495 190 A N 3.054 125.836 122.820 -0.063 0.000 2.938 190 A HA 0.564 4.884 4.320 0.000 0.000 0.344 190 A C 0.603 178.304 177.584 0.195 0.000 1.142 190 A CA -0.975 50.998 52.037 -0.107 0.000 0.841 190 A CB -0.445 18.361 19.000 -0.325 0.000 1.083 190 A HN 0.982 nan 8.150 nan 0.000 0.479 191 T N -0.352 114.295 114.554 0.155 0.000 2.834 191 T HA 0.371 4.722 4.350 0.000 0.000 0.298 191 T C 0.042 174.869 174.700 0.213 0.000 0.966 191 T CA -0.445 61.760 62.100 0.176 0.000 1.141 191 T CB 0.936 69.852 68.868 0.080 0.000 0.905 191 T HN 0.472 nan 8.240 nan 0.000 0.535 192 K N 2.472 122.940 120.400 0.114 0.000 2.339 192 K HA 0.456 4.777 4.320 0.000 0.000 0.286 192 K C -0.656 175.840 176.600 -0.173 0.000 1.050 192 K CA -0.428 55.709 56.287 -0.249 0.000 0.956 192 K CB 0.390 32.653 32.500 -0.395 0.000 0.990 192 K HN 0.572 nan 8.250 nan 0.000 0.475 193 V N 2.937 122.729 119.914 -0.203 0.000 3.158 193 V HA 0.334 4.454 4.120 0.000 0.000 0.315 193 V C -0.810 175.224 176.094 -0.100 0.000 1.148 193 V CA -0.982 61.272 62.300 -0.077 0.000 1.042 193 V CB 1.844 33.696 31.823 0.048 0.000 1.101 193 V HN 0.948 nan 8.190 nan 0.000 0.448 194 E N 1.097 121.276 120.200 -0.036 0.000 2.328 194 E HA 0.340 4.691 4.350 0.000 0.000 0.265 194 E C 0.871 177.493 176.600 0.037 0.000 1.057 194 E CA 1.001 57.384 56.400 -0.030 0.000 0.916 194 E CB 0.235 29.920 29.700 -0.026 0.000 0.993 194 E HN 1.207 nan 8.360 nan 0.000 0.446 195 G N 2.746 111.552 108.800 0.009 0.000 2.199 195 G HA2 -0.242 3.719 3.960 0.000 0.000 0.254 195 G HA3 -0.242 3.719 3.960 0.000 0.000 0.254 195 G C 0.430 175.398 174.900 0.114 0.000 0.982 195 G CA 0.030 45.185 45.100 0.092 0.000 0.632 195 G HN 1.080 nan 8.290 nan 0.000 0.529 196 G N -1.819 106.962 108.800 -0.032 0.000 2.485 196 G HA2 0.514 4.474 3.960 0.000 0.000 0.182 196 G HA3 0.514 4.474 3.960 0.000 0.000 0.182 196 G C -1.593 172.986 174.900 -0.535 0.000 1.172 196 G CA -0.005 44.917 45.100 -0.297 0.000 0.996 196 G HN 0.790 nan 8.290 nan 0.000 0.496 197 W N 0.037 121.184 121.300 -0.255 0.000 2.962 197 W HA 0.762 5.423 4.660 0.000 0.000 0.341 197 W C -0.444 175.980 176.519 -0.159 0.000 1.155 197 W CA -0.767 56.483 57.345 -0.158 0.000 1.165 197 W CB 1.941 31.285 29.460 -0.193 0.000 1.435 197 W HN 0.079 nan 8.180 nan 0.000 0.546 198 K N 3.108 123.594 120.400 0.143 0.000 2.464 198 K HA 0.359 4.679 4.320 0.000 0.000 0.252 198 K C -0.782 175.797 176.600 -0.035 0.000 1.000 198 K CA -0.627 55.703 56.287 0.071 0.000 0.951 198 K CB 1.074 33.629 32.500 0.092 0.000 1.183 198 K HN 0.331 nan 8.250 nan 0.000 0.445 199 I N 2.821 123.313 120.570 -0.129 0.000 2.396 199 I HA 0.188 4.358 4.170 0.000 0.000 0.289 199 I C 0.094 176.143 176.117 -0.114 0.000 1.056 199 I CA -0.200 60.971 61.300 -0.215 0.000 1.365 199 I CB 0.210 38.013 38.000 -0.329 0.000 1.407 199 I HN 0.293 nan 8.210 nan 0.000 0.509 200 N N 4.861 123.503 118.700 -0.095 0.000 2.346 200 N HA 0.764 5.504 4.740 0.000 0.000 0.289 200 N C 0.018 175.494 175.510 -0.058 0.000 1.027 200 N CA -0.212 52.804 53.050 -0.058 0.000 0.864 200 N CB 2.872 41.340 38.487 -0.033 0.000 1.370 200 N HN 0.931 nan 8.380 nan 0.000 0.481 201 G N 0.533 109.303 108.800 -0.049 0.000 2.343 201 G HA2 0.094 4.054 3.960 0.000 0.000 0.289 201 G HA3 0.094 4.054 3.960 0.000 0.000 0.289 201 G C -2.104 172.772 174.900 -0.039 0.000 1.295 201 G CA -0.643 44.431 45.100 -0.043 0.000 0.869 201 G HN 0.441 nan 8.290 nan 0.000 0.522 202 Q N -0.356 119.423 119.800 -0.034 0.000 2.397 202 Q HA 0.654 4.994 4.340 0.000 0.000 0.275 202 Q C -1.178 174.806 176.000 -0.026 0.000 1.090 202 Q CA -0.942 54.843 55.803 -0.031 0.000 0.809 202 Q CB 1.845 30.568 28.738 -0.026 0.000 1.362 202 Q HN 0.384 nan 8.270 nan 0.000 0.431 203 K N 2.222 122.606 120.400 -0.026 0.000 2.435 203 K HA 0.568 4.888 4.320 0.000 0.000 0.251 203 K C -1.195 175.397 176.600 -0.013 0.000 0.954 203 K CA -0.708 55.572 56.287 -0.011 0.000 0.820 203 K CB 2.474 34.966 32.500 -0.015 0.000 1.292 203 K HN 0.645 nan 8.250 nan 0.000 0.436 204 R N 0.356 120.872 120.500 0.027 0.000 2.604 204 R HA 0.277 4.617 4.340 0.000 0.000 0.281 204 R C -0.873 175.520 176.300 0.155 0.000 1.020 204 R CA -0.193 55.900 56.100 -0.013 0.000 0.899 204 R CB 0.902 31.181 30.300 -0.034 0.000 1.205 204 R HN 0.807 nan 8.270 nan 0.000 0.450 205 W N 2.175 123.476 121.300 0.000 0.000 1.266 205 W HA -0.191 4.469 4.660 0.000 0.000 0.245 205 W C -0.523 175.994 176.519 -0.004 0.000 1.005 205 W CA -0.312 57.033 57.345 -0.000 0.000 0.396 205 W CB -1.376 28.091 29.460 0.012 0.000 2.016 205 W HN 0.388 nan 8.180 nan 0.000 1.120 206 I N 1.829 122.497 120.570 0.163 0.000 2.581 206 I HA 0.297 4.467 4.170 0.000 0.000 0.285 206 I C 1.466 177.625 176.117 0.068 0.000 1.129 206 I CA 1.038 62.407 61.300 0.115 0.000 1.397 206 I CB -0.113 37.923 38.000 0.060 0.000 1.399 206 I HN 0.029 nan 8.210 nan 0.000 0.537 207 G N 4.507 113.353 108.800 0.076 0.000 2.406 207 G HA2 0.249 4.210 3.960 0.000 0.000 0.251 207 G HA3 0.249 4.210 3.960 0.000 0.000 0.251 207 G C 0.637 175.507 174.900 -0.050 0.000 1.271 207 G CA -0.245 44.880 45.100 0.042 0.000 0.859 207 G HN 0.782 nan 8.290 nan 0.000 0.540 208 N N -0.051 118.556 118.700 -0.154 0.000 2.967 208 N HA -0.315 4.425 4.740 0.000 0.000 0.218 208 N C 1.978 177.078 175.510 -0.683 0.000 0.870 208 N CA 1.825 54.495 53.050 -0.633 0.000 1.030 208 N CB -1.418 36.785 38.487 -0.474 0.000 1.027 208 N HN 0.809 nan 8.380 nan 0.000 0.603 209 S N -0.099 115.433 115.700 -0.281 0.000 2.392 209 S HA -0.238 4.232 4.470 0.000 0.000 0.232 209 S C 1.971 176.483 174.600 -0.146 0.000 1.041 209 S CA 2.360 60.455 58.200 -0.175 0.000 1.026 209 S CB -1.188 61.966 63.200 -0.077 0.000 0.845 209 S HN 0.652 nan 8.310 nan 0.000 0.465 210 T N -0.723 113.774 114.554 -0.095 0.000 3.007 210 T HA 0.052 4.402 4.350 0.000 0.000 0.270 210 T C 1.126 175.922 174.700 0.160 0.000 1.107 210 T CA 0.880 63.012 62.100 0.054 0.000 1.118 210 T CB -0.752 68.203 68.868 0.146 0.000 0.889 210 T HN 0.810 nan 8.240 nan 0.000 0.506 211 F N -0.371 119.617 119.950 0.065 0.000 2.915 211 F HA 0.800 5.328 4.527 0.001 0.000 0.347 211 F C 0.393 176.246 175.800 0.089 0.000 1.104 211 F CA -1.723 56.330 58.000 0.088 0.000 1.126 211 F CB -0.186 38.923 39.000 0.181 0.000 1.145 211 F HN 0.163 nan 8.300 nan 0.000 0.541 212 A N 1.250 123.909 122.820 -0.268 0.000 2.440 212 A HA 0.310 4.630 4.320 0.000 0.000 0.251 212 A C 0.438 178.019 177.584 -0.004 0.000 1.089 212 A CA 0.170 52.114 52.037 -0.156 0.000 0.779 212 A CB 0.015 18.889 19.000 -0.210 0.000 1.022 212 A HN 0.452 nan 8.150 nan 0.000 0.492 213 D N 0.677 121.109 120.400 0.053 0.000 2.162 213 D HA 0.111 4.751 4.640 0.000 0.000 0.203 213 D C -0.202 176.103 176.300 0.008 0.000 0.967 213 D CA 0.966 55.001 54.000 0.059 0.000 0.840 213 D CB -0.060 40.801 40.800 0.102 0.000 0.972 213 D HN 0.346 nan 8.370 nan 0.000 0.482 214 L N 0.627 121.835 121.223 -0.025 0.000 2.322 214 L HA 0.397 4.738 4.340 0.000 0.000 0.281 214 L C -1.176 175.641 176.870 -0.089 0.000 1.014 214 L CA -0.456 54.326 54.840 -0.097 0.000 0.815 214 L CB 1.800 43.757 42.059 -0.169 0.000 1.247 214 L HN -0.109 nan 8.230 nan 0.000 0.421 215 L N 5.266 126.430 121.223 -0.098 0.000 2.366 215 L HA 0.439 4.780 4.340 0.000 0.000 0.266 215 L C -0.171 176.635 176.870 -0.108 0.000 1.010 215 L CA 0.080 54.870 54.840 -0.082 0.000 0.879 215 L CB 0.888 42.906 42.059 -0.070 0.000 1.228 215 L HN 0.416 nan 8.230 nan 0.000 0.439 216 I N 4.460 124.970 120.570 -0.100 0.000 2.349 216 I HA 0.108 4.278 4.170 0.000 0.000 0.302 216 I C 0.012 175.987 176.117 -0.236 0.000 1.180 216 I CA 0.357 61.552 61.300 -0.175 0.000 1.405 216 I CB -0.224 37.723 38.000 -0.087 0.000 1.474 216 I HN 0.437 nan 8.210 nan 0.000 0.632 217 I N 5.714 126.155 120.570 -0.216 0.000 2.331 217 I HA 0.240 4.410 4.170 0.000 0.000 0.292 217 I C -0.211 175.787 176.117 -0.199 0.000 0.998 217 I CA -0.412 60.798 61.300 -0.149 0.000 1.267 217 I CB 0.826 38.763 38.000 -0.105 0.000 1.386 217 I HN 0.240 nan 8.210 nan 0.000 0.476 218 F N 5.199 125.039 119.950 -0.183 0.000 2.411 218 F HA 0.624 5.151 4.527 0.000 0.000 0.350 218 F C 0.604 176.367 175.800 -0.062 0.000 1.114 218 F CA -0.135 57.793 58.000 -0.120 0.000 1.135 218 F CB 1.238 40.103 39.000 -0.226 0.000 1.120 218 F HN 0.448 nan 8.300 nan 0.000 0.495 219 A N 3.773 126.689 122.820 0.161 0.000 2.532 219 A HA 0.759 5.080 4.320 0.000 0.000 0.290 219 A C -0.927 176.707 177.584 0.082 0.000 1.143 219 A CA -1.037 51.029 52.037 0.047 0.000 0.728 219 A CB 1.444 20.348 19.000 -0.160 0.000 1.317 219 A HN 0.704 nan 8.150 nan 0.000 0.414 220 R N 1.578 122.090 120.500 0.020 0.000 2.196 220 R HA 0.141 4.481 4.340 0.000 0.000 0.340 220 R C -0.378 175.948 176.300 0.043 0.000 1.043 220 R CA -0.458 55.660 56.100 0.030 0.000 0.883 220 R CB 0.277 30.583 30.300 0.010 0.000 1.078 220 R HN 0.750 nan 8.270 nan 0.000 0.462 221 N N 2.939 121.675 118.700 0.061 0.000 2.411 221 N HA -0.083 4.658 4.740 0.000 0.000 0.282 221 N C 0.712 176.301 175.510 0.131 0.000 1.322 221 N CA 0.465 53.578 53.050 0.106 0.000 0.943 221 N CB 1.015 39.546 38.487 0.073 0.000 1.266 221 N HN 0.675 nan 8.380 nan 0.000 0.486 222 T N 0.231 114.877 114.554 0.153 0.000 2.929 222 T HA -0.126 4.224 4.350 0.000 0.000 0.271 222 T C 1.521 176.285 174.700 0.107 0.000 1.085 222 T CA 1.551 63.717 62.100 0.110 0.000 1.125 222 T CB -0.187 68.740 68.868 0.097 0.000 0.874 222 T HN 0.402 nan 8.240 nan 0.000 0.494 223 T N 2.308 116.951 114.554 0.149 0.000 2.809 223 T HA -0.032 4.319 4.350 0.000 0.000 0.260 223 T C 2.333 177.088 174.700 0.093 0.000 1.039 223 T CA 1.650 63.820 62.100 0.117 0.000 1.141 223 T CB -0.584 68.367 68.868 0.139 0.000 0.869 223 T HN 0.764 nan 8.240 nan 0.000 0.437 224 T N -0.811 113.805 114.554 0.104 0.000 3.044 224 T HA 0.154 4.504 4.350 0.000 0.000 0.250 224 T C 1.020 175.754 174.700 0.057 0.000 1.081 224 T CA 0.098 62.243 62.100 0.074 0.000 1.040 224 T CB -0.247 68.666 68.868 0.075 0.000 0.962 224 T HN 0.279 nan 8.240 nan 0.000 0.506 225 N N 1.191 119.926 118.700 0.059 0.000 2.741 225 N HA -0.141 4.599 4.740 0.000 0.000 0.250 225 N C -0.773 174.759 175.510 0.037 0.000 1.115 225 N CA 0.693 53.769 53.050 0.042 0.000 0.724 225 N CB -0.630 37.876 38.487 0.031 0.000 1.090 225 N HN 0.584 nan 8.380 nan 0.000 0.558 226 Q N -0.150 119.677 119.800 0.045 0.000 2.418 226 Q HA 0.521 4.861 4.340 0.000 0.000 0.276 226 Q C 0.038 176.068 176.000 0.049 0.000 1.081 226 Q CA -0.638 55.192 55.803 0.045 0.000 0.864 226 Q CB 1.076 29.841 28.738 0.045 0.000 1.384 226 Q HN 0.217 nan 8.270 nan 0.000 0.467 227 I N 1.449 122.064 120.570 0.074 0.000 2.342 227 I HA 0.215 4.386 4.170 0.000 0.000 0.291 227 I C -0.240 175.920 176.117 0.072 0.000 1.010 227 I CA -0.038 61.327 61.300 0.108 0.000 1.308 227 I CB 0.473 38.586 38.000 0.188 0.000 1.400 227 I HN 0.320 nan 8.210 nan 0.000 0.488 228 N N 2.793 121.494 118.700 0.001 0.000 2.328 228 N HA 0.745 5.485 4.740 0.000 0.000 0.299 228 N C -0.314 174.900 175.510 -0.494 0.000 1.179 228 N CA -0.624 52.256 53.050 -0.283 0.000 0.793 228 N CB 1.950 40.110 38.487 -0.544 0.000 1.366 228 N HN 0.708 nan 8.380 nan 0.000 0.493 229 G N 0.260 108.580 108.800 -0.801 0.000 2.348 229 G HA2 0.625 4.585 3.960 0.000 0.000 0.312 229 G HA3 0.625 4.585 3.960 0.000 0.000 0.312 229 G C -1.289 172.949 174.900 -1.103 0.000 1.126 229 G CA -0.168 44.346 45.100 -0.976 0.000 0.865 229 G HN 0.335 nan 8.290 nan 0.000 0.474 230 F N 0.936 120.549 119.950 -0.562 0.000 2.547 230 F HA 0.420 4.947 4.527 0.000 0.000 0.316 230 F C 0.174 175.763 175.800 -0.350 0.000 1.121 230 F CA -0.811 56.940 58.000 -0.417 0.000 0.911 230 F CB 2.355 41.118 39.000 -0.394 0.000 1.179 230 F HN 0.216 nan 8.300 nan 0.000 0.443 231 I N 4.345 124.835 120.570 -0.133 0.000 2.281 231 I HA 0.257 4.427 4.170 0.000 0.000 0.293 231 I C -0.671 175.374 176.117 -0.120 0.000 1.085 231 I CA -0.516 60.673 61.300 -0.186 0.000 1.257 231 I CB 0.480 38.301 38.000 -0.298 0.000 1.430 231 I HN 0.222 nan 8.210 nan 0.000 0.489 232 V N 7.367 127.217 119.914 -0.108 0.000 2.383 232 V HA 0.266 4.386 4.120 0.000 0.000 0.275 232 V C 0.561 176.615 176.094 -0.067 0.000 1.036 232 V CA -0.907 61.348 62.300 -0.074 0.000 0.889 232 V CB 1.107 32.886 31.823 -0.074 0.000 0.985 232 V HN 0.546 nan 8.190 nan 0.000 0.459 233 K N 3.319 123.700 120.400 -0.031 0.000 2.168 233 K HA 0.274 4.594 4.320 0.000 0.000 0.258 233 K C 0.175 176.777 176.600 0.004 0.000 1.010 233 K CA -0.514 55.769 56.287 -0.006 0.000 0.929 233 K CB 0.906 33.428 32.500 0.036 0.000 0.998 233 K HN 0.546 nan 8.250 nan 0.000 0.479 234 K N 1.276 121.686 120.400 0.017 0.000 2.319 234 K HA -0.114 4.206 4.320 0.000 0.000 0.265 234 K C -0.285 176.333 176.600 0.030 0.000 1.000 234 K CA 0.433 56.734 56.287 0.024 0.000 0.943 234 K CB 0.328 32.853 32.500 0.042 0.000 0.950 234 K HN 0.527 nan 8.250 nan 0.000 0.485 235 D N -0.522 119.894 120.400 0.026 0.000 3.006 235 D HA -0.213 4.427 4.640 0.000 0.000 0.208 235 D C -0.391 175.925 176.300 0.027 0.000 1.116 235 D CA 1.409 55.425 54.000 0.027 0.000 0.998 235 D CB -1.203 39.616 40.800 0.031 0.000 1.124 235 D HN 0.718 nan 8.370 nan 0.000 0.413 236 A N 0.983 123.820 122.820 0.029 0.000 2.584 236 A HA 0.284 4.605 4.320 0.000 0.000 0.239 236 A C -1.962 175.642 177.584 0.034 0.000 1.043 236 A CA -0.289 51.771 52.037 0.039 0.000 0.756 236 A CB 0.087 19.110 19.000 0.039 0.000 0.963 236 A HN -0.064 nan 8.150 nan 0.000 0.511 237 P HA 0.241 nan 4.420 nan 0.000 0.261 237 P C 1.090 178.406 177.300 0.028 0.000 1.183 237 P CA 1.815 64.933 63.100 0.030 0.000 0.761 237 P CB 0.545 32.263 31.700 0.030 0.000 0.785 238 G N 1.819 110.628 108.800 0.015 0.000 2.213 238 G HA2 -0.225 3.735 3.960 0.000 0.000 0.236 238 G HA3 -0.225 3.735 3.960 0.000 0.000 0.236 238 G C -0.321 174.578 174.900 -0.001 0.000 0.991 238 G CA -0.138 44.967 45.100 0.008 0.000 0.629 238 G HN 0.607 nan 8.290 nan 0.000 0.517 239 L N 0.941 122.165 121.223 0.000 0.000 2.289 239 L HA 0.866 5.207 4.340 0.000 0.000 0.285 239 L C -0.098 176.768 176.870 -0.007 0.000 1.049 239 L CA -0.679 54.156 54.840 -0.008 0.000 0.804 239 L CB 1.373 43.426 42.059 -0.009 0.000 1.195 239 L HN 0.139 nan 8.230 nan 0.000 0.428 240 K N 4.570 124.962 120.400 -0.013 0.000 2.668 240 K HA 0.718 5.038 4.320 0.000 0.000 0.246 240 K C -1.682 174.908 176.600 -0.017 0.000 0.976 240 K CA -0.435 55.845 56.287 -0.011 0.000 0.902 240 K CB 1.387 33.880 32.500 -0.011 0.000 1.172 240 K HN 0.778 nan 8.250 nan 0.000 0.452 241 A N 2.807 125.619 122.820 -0.013 0.000 2.267 241 A HA 0.450 4.770 4.320 0.000 0.000 0.315 241 A C -0.255 177.323 177.584 -0.011 0.000 1.297 241 A CA -0.551 51.475 52.037 -0.019 0.000 0.865 241 A CB 0.596 19.583 19.000 -0.021 0.000 1.165 241 A HN 0.640 nan 8.150 nan 0.000 0.513 242 T N 0.086 114.625 114.554 -0.025 0.000 2.859 242 T HA 0.502 4.852 4.350 0.000 0.000 0.281 242 T C -0.112 174.567 174.700 -0.035 0.000 1.005 242 T CA -0.845 61.242 62.100 -0.022 0.000 1.025 242 T CB 1.214 70.063 68.868 -0.032 0.000 0.977 242 T HN 0.641 nan 8.240 nan 0.000 0.458 243 K N 2.652 123.043 120.400 -0.014 0.000 2.451 243 K HA 0.193 4.513 4.320 0.000 0.000 0.280 243 K C -0.435 176.124 176.600 -0.069 0.000 1.020 243 K CA -0.374 55.902 56.287 -0.018 0.000 1.008 243 K CB 0.159 32.672 32.500 0.021 0.000 0.917 243 K HN 0.631 nan 8.250 nan 0.000 0.478 244 I N 8.121 128.623 120.570 -0.114 0.000 2.337 244 I HA 0.176 4.347 4.170 0.000 0.000 0.291 244 I C -1.751 174.292 176.117 -0.122 0.000 1.046 244 I CA -1.954 59.233 61.300 -0.189 0.000 1.324 244 I CB 1.010 38.775 38.000 -0.392 0.000 1.409 244 I HN 0.614 nan 8.210 nan 0.000 0.494 245 P HA 0.361 nan 4.420 nan 0.000 0.286 245 P C -0.769 176.500 177.300 -0.052 0.000 1.292 245 P CA -0.453 62.611 63.100 -0.060 0.000 0.842 245 P CB 0.804 32.477 31.700 -0.046 0.000 1.207 246 N N -2.645 116.031 118.700 -0.040 0.000 2.776 246 N HA -0.135 4.605 4.740 0.000 0.000 0.250 246 N C -0.572 174.936 175.510 -0.003 0.000 1.112 246 N CA 0.839 53.875 53.050 -0.024 0.000 0.733 246 N CB -1.970 36.511 38.487 -0.010 0.000 1.097 246 N HN 0.562 nan 8.380 nan 0.000 0.558 247 K N 0.758 121.152 120.400 -0.009 0.000 2.270 247 K HA 0.276 4.596 4.320 0.000 0.000 0.276 247 K C 1.979 178.564 176.600 -0.024 0.000 1.023 247 K CA -0.152 56.156 56.287 0.034 0.000 0.955 247 K CB 0.826 33.364 32.500 0.063 0.000 0.975 247 K HN 0.286 nan 8.250 nan 0.000 0.471 248 I N -1.754 118.839 120.570 0.039 0.000 3.427 248 I HA 0.192 4.362 4.170 0.000 0.000 0.288 248 I C 0.738 176.946 176.117 0.152 0.000 1.249 248 I CA -0.003 61.334 61.300 0.062 0.000 1.421 248 I CB 0.447 38.508 38.000 0.101 0.000 1.086 248 I HN 0.436 nan 8.210 nan 0.000 0.448 249 G N 0.732 109.622 108.800 0.149 0.000 2.605 249 G HA2 0.591 4.551 3.960 0.000 0.000 0.296 249 G HA3 0.591 4.551 3.960 0.000 0.000 0.296 249 G C -0.174 174.855 174.900 0.216 0.000 1.304 249 G CA -0.988 44.280 45.100 0.280 0.000 0.941 249 G HN 0.280 nan 8.290 nan 0.000 0.475 250 L N -0.264 121.165 121.223 0.344 0.000 3.854 250 L HA -0.238 4.102 4.340 0.000 0.000 0.460 250 L C 2.064 179.007 176.870 0.122 0.000 1.228 250 L CA -0.011 54.993 54.840 0.273 0.000 0.760 250 L CB -0.831 41.339 42.059 0.185 0.000 1.597 250 L HN 0.693 nan 8.230 nan 0.000 0.852 251 R N -0.045 120.400 120.500 -0.092 0.000 2.148 251 R HA -0.041 4.300 4.340 0.000 0.000 0.223 251 R C 2.070 178.299 176.300 -0.118 0.000 1.088 251 R CA 1.486 57.385 56.100 -0.335 0.000 0.985 251 R CB -0.063 29.635 30.300 -1.003 0.000 0.880 251 R HN 0.515 nan 8.270 nan 0.000 0.451 252 M N 0.358 119.972 119.600 0.024 0.000 2.349 252 M HA -0.030 4.450 4.480 0.000 0.000 0.266 252 M C 0.274 176.725 176.300 0.252 0.000 1.076 252 M CA 0.657 56.035 55.300 0.129 0.000 1.126 252 M CB 0.453 33.121 32.600 0.114 0.000 1.392 252 M HN -0.172 nan 8.290 nan 0.000 0.440 253 V N 2.758 122.814 119.914 0.237 0.000 2.458 253 V HA -0.074 4.047 4.120 0.000 0.000 0.287 253 V C 0.401 176.611 176.094 0.193 0.000 1.009 253 V CA 0.076 62.529 62.300 0.256 0.000 1.091 253 V CB -0.118 31.826 31.823 0.202 0.000 0.960 253 V HN 0.277 nan 8.190 nan 0.000 0.476 254 Q N 4.549 124.476 119.800 0.213 0.000 2.513 254 Q HA 0.214 4.555 4.340 0.000 0.000 0.227 254 Q C -0.106 175.958 176.000 0.105 0.000 1.257 254 Q CA 0.056 55.971 55.803 0.186 0.000 0.915 254 Q CB -0.043 28.894 28.738 0.331 0.000 1.507 254 Q HN 0.642 nan 8.270 nan 0.000 0.543 255 N N 0.816 119.566 118.700 0.083 0.000 2.518 255 N HA 0.539 5.279 4.740 0.000 0.000 0.283 255 N C -0.001 175.492 175.510 -0.028 0.000 1.119 255 N CA 0.066 53.150 53.050 0.057 0.000 0.983 255 N CB 1.804 40.376 38.487 0.141 0.000 1.139 255 N HN 0.473 nan 8.380 nan 0.000 0.465 256 G N 0.293 109.062 108.800 -0.050 0.000 2.660 256 G HA2 0.263 4.223 3.960 0.000 0.000 0.294 256 G HA3 0.263 4.223 3.960 0.000 0.000 0.294 256 G C -1.427 173.405 174.900 -0.114 0.000 1.369 256 G CA -0.572 44.476 45.100 -0.086 0.000 0.912 256 G HN 0.343 nan 8.290 nan 0.000 0.479 257 D N 0.742 121.067 120.400 -0.125 0.000 2.280 257 D HA 0.307 4.947 4.640 0.000 0.000 0.243 257 D C -0.013 176.248 176.300 -0.066 0.000 1.129 257 D CA 0.290 54.223 54.000 -0.111 0.000 0.848 257 D CB 2.286 43.013 40.800 -0.122 0.000 1.107 257 D HN 0.149 nan 8.370 nan 0.000 0.471 258 I N 2.722 123.261 120.570 -0.051 0.000 2.336 258 I HA 0.232 4.402 4.170 0.000 0.000 0.292 258 I C 0.099 176.193 176.117 -0.039 0.000 0.991 258 I CA -0.587 60.689 61.300 -0.041 0.000 1.227 258 I CB 1.331 39.309 38.000 -0.037 0.000 1.366 258 I HN 0.114 nan 8.210 nan 0.000 0.466 259 L N 7.293 128.495 121.223 -0.035 0.000 2.325 259 L HA 0.579 4.920 4.340 0.000 0.000 0.278 259 L C -0.894 175.957 176.870 -0.032 0.000 1.023 259 L CA -0.708 54.113 54.840 -0.032 0.000 0.811 259 L CB 1.640 43.683 42.059 -0.027 0.000 1.249 259 L HN 0.452 nan 8.230 nan 0.000 0.431 260 L N 4.098 125.301 121.223 -0.035 0.000 2.415 260 L HA 0.432 4.772 4.340 0.000 0.000 0.268 260 L C -0.885 175.966 176.870 -0.031 0.000 0.984 260 L CA -0.333 54.484 54.840 -0.039 0.000 0.853 260 L CB 1.737 43.761 42.059 -0.060 0.000 1.215 260 L HN 0.555 nan 8.230 nan 0.000 0.419 261 Q N 3.408 123.197 119.800 -0.020 0.000 2.363 261 Q HA 0.330 4.670 4.340 0.000 0.000 0.265 261 Q C -0.407 175.593 176.000 -0.001 0.000 1.032 261 Q CA -0.740 55.057 55.803 -0.011 0.000 0.746 261 Q CB 1.471 30.205 28.738 -0.008 0.000 1.237 261 Q HN 0.466 nan 8.270 nan 0.000 0.475 262 N N 0.617 119.318 118.700 0.002 0.000 2.716 262 N HA -0.156 4.584 4.740 0.000 0.000 0.250 262 N C -0.952 174.588 175.510 0.050 0.000 1.033 262 N CA 0.526 53.591 53.050 0.025 0.000 0.727 262 N CB -0.857 37.647 38.487 0.027 0.000 0.950 262 N HN 0.285 nan 8.380 nan 0.000 0.541 263 V N 1.683 121.611 119.914 0.024 0.000 2.415 263 V HA 0.092 4.212 4.120 0.000 0.000 0.267 263 V C 0.764 176.902 176.094 0.074 0.000 1.042 263 V CA -0.427 61.895 62.300 0.037 0.000 1.000 263 V CB -0.037 31.774 31.823 -0.019 0.000 1.015 263 V HN 0.211 nan 8.190 nan 0.000 0.478 264 F N 6.619 126.565 119.950 -0.007 0.000 2.456 264 F HA 0.490 5.017 4.527 0.000 0.000 0.358 264 F C 0.041 175.867 175.800 0.043 0.000 1.095 264 F CA -0.071 57.941 58.000 0.020 0.000 1.216 264 F CB 0.914 39.926 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.323 127.830 119.914 -0.679 0.000 2.409 265 V HA 0.331 4.451 4.120 0.000 0.000 0.290 265 V C -2.154 173.516 176.094 -0.706 0.000 1.017 265 V CA -1.780 60.239 62.300 -0.468 0.000 0.841 265 V CB 1.419 33.174 31.823 -0.113 0.000 1.003 265 V HN 0.645 nan 8.190 nan 0.000 0.426 266 P HA 0.130 nan 4.420 nan 0.000 0.269 266 P C 0.246 177.555 177.300 0.015 0.000 1.215 266 P CA -0.023 62.921 63.100 -0.261 0.000 0.780 266 P CB 1.126 32.865 31.700 0.066 0.000 0.898 267 D N 1.294 121.734 120.400 0.066 0.000 2.228 267 D HA -0.200 4.441 4.640 0.000 0.000 0.203 267 D C 1.670 178.052 176.300 0.137 0.000 0.988 267 D CA 1.547 55.638 54.000 0.152 0.000 0.864 267 D CB -0.112 40.729 40.800 0.068 0.000 0.928 267 D HN 0.654 nan 8.370 nan 0.000 0.469 268 E N 0.121 120.379 120.200 0.096 0.000 2.274 268 E HA -0.117 4.233 4.350 0.000 0.000 0.194 268 E C 0.738 177.386 176.600 0.081 0.000 0.996 268 E CA 0.838 57.287 56.400 0.081 0.000 0.840 268 E CB 0.046 29.792 29.700 0.077 0.000 0.772 268 E HN 0.024 nan 8.360 nan 0.000 0.491 269 D N 0.600 121.048 120.400 0.080 0.000 2.363 269 D HA 0.069 4.709 4.640 0.000 0.000 0.214 269 D C -0.154 176.132 176.300 -0.024 0.000 1.093 269 D CA -0.002 54.028 54.000 0.050 0.000 0.837 269 D CB 0.154 40.983 40.800 0.049 0.000 0.948 269 D HN 0.063 nan 8.370 nan 0.000 0.507 270 R N 1.187 121.667 120.500 -0.033 0.000 2.308 270 R HA 0.291 4.632 4.340 0.000 0.000 0.305 270 R C -0.216 175.913 176.300 -0.286 0.000 1.053 270 R CA -0.501 55.432 56.100 -0.279 0.000 0.957 270 R CB 0.680 30.829 30.300 -0.252 0.000 1.022 270 R HN -0.021 nan 8.270 nan 0.000 0.461 271 L N 7.908 128.873 121.223 -0.430 0.000 2.433 271 L HA 0.152 4.492 4.340 0.000 0.000 0.275 271 L C -1.176 175.534 176.870 -0.267 0.000 1.128 271 L CA -1.297 53.359 54.840 -0.307 0.000 0.875 271 L CB 1.015 42.871 42.059 -0.339 0.000 1.171 271 L HN 0.521 nan 8.230 nan 0.000 0.463 272 P HA -0.060 nan 4.420 nan 0.000 0.229 272 P C 1.266 178.510 177.300 -0.094 0.000 1.160 272 P CA 0.758 63.794 63.100 -0.106 0.000 0.777 272 P CB 0.382 32.048 31.700 -0.056 0.000 0.814 273 G N 0.358 109.100 108.800 -0.098 0.000 2.430 273 G HA2 -0.028 3.933 3.960 0.000 0.000 0.216 273 G HA3 -0.028 3.933 3.960 0.000 0.000 0.216 273 G C 0.526 175.385 174.900 -0.068 0.000 1.146 273 G CA 0.141 45.200 45.100 -0.068 0.000 0.793 273 G HN 0.175 nan 8.290 nan 0.000 0.537 274 V N 2.355 122.204 119.914 -0.108 0.000 2.372 274 V HA 0.252 4.372 4.120 0.000 0.000 0.261 274 V C 0.256 176.284 176.094 -0.110 0.000 1.055 274 V CA -0.263 61.987 62.300 -0.084 0.000 0.930 274 V CB 0.904 32.665 31.823 -0.104 0.000 1.031 274 V HN 0.228 nan 8.190 nan 0.000 0.479 275 N N 1.866 120.537 118.700 -0.049 0.000 2.211 275 N HA 0.096 4.837 4.740 0.000 0.000 0.216 275 N C 0.521 176.034 175.510 0.006 0.000 1.240 275 N CA 0.409 53.436 53.050 -0.038 0.000 0.895 275 N CB 1.185 39.657 38.487 -0.025 0.000 1.102 275 N HN 0.728 nan 8.380 nan 0.000 0.498 276 S N -1.214 114.504 115.700 0.030 0.000 2.732 276 S HA 0.381 4.852 4.470 0.000 0.000 0.293 276 S C 0.352 175.031 174.600 0.131 0.000 1.159 276 S CA -0.673 57.575 58.200 0.079 0.000 0.847 276 S CB 0.931 64.170 63.200 0.064 0.000 1.169 276 S HN -0.059 nan 8.310 nan 0.000 0.501 277 F N 1.443 121.399 119.950 0.011 0.000 2.365 277 F HA 0.047 4.574 4.527 0.001 0.000 0.300 277 F C 2.372 178.174 175.800 0.003 0.000 1.090 277 F CA 1.397 59.401 58.000 0.007 0.000 1.408 277 F CB -0.510 38.477 39.000 -0.023 0.000 1.060 277 F HN 0.692 nan 8.300 nan 0.000 0.534 278 Q N -0.193 119.570 119.800 -0.062 0.000 2.226 278 Q HA -0.200 4.141 4.340 0.000 0.000 0.204 278 Q C 1.585 177.491 176.000 -0.158 0.000 0.975 278 Q CA 1.511 57.231 55.803 -0.137 0.000 0.866 278 Q CB -0.252 28.459 28.738 -0.046 0.000 0.915 278 Q HN 0.425 nan 8.270 nan 0.000 0.440 279 D N -0.161 120.179 120.400 -0.100 0.000 2.178 279 D HA -0.092 4.548 4.640 0.000 0.000 0.202 279 D C 1.692 177.943 176.300 -0.082 0.000 0.974 279 D CA 1.165 55.125 54.000 -0.067 0.000 0.841 279 D CB -0.122 40.664 40.800 -0.022 0.000 0.953 279 D HN 0.176 nan 8.370 nan 0.000 0.478 280 T N 0.287 114.751 114.554 -0.150 0.000 2.833 280 T HA -0.075 4.275 4.350 0.000 0.000 0.269 280 T C 1.577 176.139 174.700 -0.229 0.000 1.054 280 T CA 0.706 62.719 62.100 -0.145 0.000 1.135 280 T CB -0.118 68.569 68.868 -0.301 0.000 0.869 280 T HN -0.038 nan 8.240 nan 0.000 0.466 281 S N 1.121 116.613 115.700 -0.347 0.000 3.048 281 S HA 0.084 4.555 4.470 0.000 0.000 0.254 281 S C 1.268 175.786 174.600 -0.136 0.000 1.084 281 S CA 0.183 58.228 58.200 -0.258 0.000 1.195 281 S CB -0.137 62.897 63.200 -0.277 0.000 0.870 281 S HN 0.356 nan 8.310 nan 0.000 0.483 282 K N -0.636 119.704 120.400 -0.099 0.000 2.548 282 K HA 0.232 4.552 4.320 0.000 0.000 0.209 282 K C 1.557 178.132 176.600 -0.042 0.000 1.420 282 K CA 0.324 56.583 56.287 -0.046 0.000 0.985 282 K CB -0.299 32.183 32.500 -0.029 0.000 1.249 282 K HN 0.226 nan 8.250 nan 0.000 0.557 283 V N 2.314 122.191 119.914 -0.062 0.000 2.407 283 V HA -0.104 4.016 4.120 0.000 0.000 0.245 283 V C 2.359 178.349 176.094 -0.174 0.000 1.041 283 V CA 1.323 63.566 62.300 -0.095 0.000 1.040 283 V CB -0.472 31.323 31.823 -0.046 0.000 0.671 283 V HN 0.104 nan 8.190 nan 0.000 0.455 284 L N 0.413 121.532 121.223 -0.173 0.000 2.127 284 L HA -0.170 4.170 4.340 0.000 0.000 0.211 284 L C 2.700 179.469 176.870 -0.169 0.000 1.089 284 L CA 1.375 56.098 54.840 -0.195 0.000 0.757 284 L CB -0.779 41.191 42.059 -0.148 0.000 0.899 284 L HN 0.371 nan 8.230 nan 0.000 0.434 285 A N -0.369 122.372 122.820 -0.132 0.000 1.978 285 A HA -0.144 4.176 4.320 0.000 0.000 0.220 285 A C 2.254 179.691 177.584 -0.244 0.000 1.170 285 A CA 1.975 53.944 52.037 -0.113 0.000 0.636 285 A CB -0.583 18.416 19.000 -0.003 0.000 0.810 285 A HN 0.250 nan 8.150 nan 0.000 0.448 286 V N -1.331 118.402 119.914 -0.302 0.000 2.500 286 V HA -0.092 4.029 4.120 0.000 0.000 0.243 286 V C 2.628 178.540 176.094 -0.304 0.000 1.039 286 V CA 1.771 63.810 62.300 -0.435 0.000 1.053 286 V CB -0.574 31.027 31.823 -0.370 0.000 0.695 286 V HN 0.603 nan 8.190 nan 0.000 0.463 287 S N -0.044 115.498 115.700 -0.263 0.000 2.383 287 S HA -0.250 4.221 4.470 0.000 0.000 0.229 287 S C 2.219 176.704 174.600 -0.190 0.000 1.030 287 S CA 1.905 59.958 58.200 -0.247 0.000 1.002 287 S CB -0.273 62.727 63.200 -0.333 0.000 0.829 287 S HN 0.512 nan 8.310 nan 0.000 0.467 288 R N -0.020 120.374 120.500 -0.177 0.000 2.090 288 R HA 0.011 4.351 4.340 0.000 0.000 0.228 288 R C 2.121 178.357 176.300 -0.105 0.000 1.110 288 R CA 1.339 57.357 56.100 -0.136 0.000 0.973 288 R CB -0.293 29.937 30.300 -0.116 0.000 0.869 288 R HN 0.361 nan 8.270 nan 0.000 0.440 289 V N 0.750 120.590 119.914 -0.123 0.000 2.343 289 V HA -0.252 3.868 4.120 0.000 0.000 0.247 289 V C 2.243 178.361 176.094 0.040 0.000 1.051 289 V CA 1.605 63.870 62.300 -0.059 0.000 1.036 289 V CB -0.304 31.420 31.823 -0.166 0.000 0.654 289 V HN 0.320 nan 8.190 nan 0.000 0.451 290 M N -0.610 118.956 119.600 -0.056 0.000 2.156 290 M HA -0.056 4.424 4.480 0.000 0.000 0.264 290 M C 1.975 178.304 176.300 0.048 0.000 1.067 290 M CA 1.495 56.782 55.300 -0.021 0.000 1.131 290 M CB -0.397 32.142 32.600 -0.103 0.000 1.368 290 M HN 0.133 nan 8.290 nan 0.000 0.416 291 V N -0.029 119.872 119.914 -0.021 0.000 2.407 291 V HA -0.248 3.872 4.120 0.000 0.000 0.248 291 V C 2.424 178.504 176.094 -0.024 0.000 1.055 291 V CA 1.732 64.001 62.300 -0.052 0.000 1.049 291 V CB -1.376 30.336 31.823 -0.185 0.000 0.662 291 V HN 0.568 nan 8.190 nan 0.000 0.455 292 A N -1.510 121.305 122.820 -0.008 0.000 2.024 292 A HA -0.255 4.065 4.320 0.000 0.000 0.220 292 A C 1.834 179.393 177.584 -0.041 0.000 1.164 292 A CA 1.728 53.747 52.037 -0.029 0.000 0.643 292 A CB -0.766 18.213 19.000 -0.035 0.000 0.806 292 A HN 0.713 nan 8.150 nan 0.000 0.451 293 W N -0.153 121.106 121.300 -0.068 0.000 3.003 293 W HA 0.090 4.750 4.660 0.000 0.000 0.257 293 W C 2.386 178.899 176.519 -0.010 0.000 1.308 293 W CA 0.733 58.046 57.345 -0.054 0.000 1.529 293 W CB 0.048 29.462 29.460 -0.077 0.000 1.115 293 W HN 0.441 nan 8.180 nan 0.000 0.659 294 Q N 0.297 120.199 119.800 0.170 0.000 2.020 294 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 294 Q C -0.417 175.646 176.000 0.106 0.000 0.982 294 Q CA 1.656 57.543 55.803 0.140 0.000 0.838 294 Q CB -1.574 27.235 28.738 0.119 0.000 0.899 294 Q HN 0.138 nan 8.270 nan 0.000 0.423 295 P HA -0.159 nan 4.420 nan 0.000 0.216 295 P C 1.074 178.395 177.300 0.036 0.000 1.150 295 P CA 1.181 64.305 63.100 0.040 0.000 0.837 295 P CB -0.101 31.601 31.700 0.004 0.000 0.786 296 I N -0.712 119.848 120.570 -0.018 0.000 2.151 296 I HA -0.244 3.927 4.170 0.000 0.000 0.243 296 I C 2.507 178.691 176.117 0.112 0.000 1.080 296 I CA 2.016 63.294 61.300 -0.037 0.000 1.339 296 I CB -1.362 36.446 38.000 -0.320 0.000 1.039 296 I HN 0.027 nan 8.210 nan 0.000 0.409 297 G N 1.153 110.056 108.800 0.172 0.000 2.434 297 G HA2 -0.185 3.775 3.960 0.000 0.000 0.214 297 G HA3 -0.185 3.775 3.960 0.000 0.000 0.214 297 G C 1.674 176.682 174.900 0.180 0.000 1.202 297 G CA 0.736 45.962 45.100 0.210 0.000 0.788 297 G HN 0.306 nan 8.290 nan 0.000 0.539 298 I N 1.168 121.829 120.570 0.151 0.000 2.118 298 I HA -0.249 3.921 4.170 0.000 0.000 0.241 298 I C 3.072 179.277 176.117 0.146 0.000 1.070 298 I CA 1.558 62.944 61.300 0.143 0.000 1.327 298 I CB -0.304 37.767 38.000 0.118 0.000 1.034 298 I HN 0.104 nan 8.210 nan 0.000 0.405 299 S N 0.293 116.068 115.700 0.125 0.000 2.382 299 S HA -0.173 4.297 4.470 0.000 0.000 0.228 299 S C 2.000 176.699 174.600 0.165 0.000 1.027 299 S CA 1.393 59.667 58.200 0.123 0.000 0.991 299 S CB -0.273 62.978 63.200 0.084 0.000 0.823 299 S HN 0.346 nan 8.310 nan 0.000 0.469 300 M N 0.944 120.652 119.600 0.179 0.000 2.080 300 M HA -0.101 4.379 4.480 0.000 0.000 0.260 300 M C 2.569 179.022 176.300 0.255 0.000 1.068 300 M CA 1.698 57.126 55.300 0.213 0.000 1.109 300 M CB -1.117 31.618 32.600 0.225 0.000 1.342 300 M HN 0.489 nan 8.290 nan 0.000 0.405 301 G N 0.662 109.617 108.800 0.258 0.000 2.446 301 G HA2 -0.204 3.757 3.960 0.000 0.000 0.217 301 G HA3 -0.204 3.757 3.960 0.000 0.000 0.217 301 G C 1.445 176.444 174.900 0.165 0.000 1.168 301 G CA 0.835 46.109 45.100 0.290 0.000 0.771 301 G HN 0.411 nan 8.290 nan 0.000 0.551 302 I N -0.717 119.943 120.570 0.150 0.000 2.194 302 I HA -0.238 3.932 4.170 0.000 0.000 0.246 302 I C 2.457 178.628 176.117 0.090 0.000 1.093 302 I CA 1.462 62.818 61.300 0.093 0.000 1.355 302 I CB -0.286 37.772 38.000 0.098 0.000 1.046 302 I HN 0.264 nan 8.210 nan 0.000 0.413 303 Y N 1.926 122.253 120.300 0.044 0.000 2.133 303 Y HA -0.292 4.258 4.550 0.000 0.000 0.287 303 Y C 2.339 178.271 175.900 0.053 0.000 1.134 303 Y CA 1.810 59.934 58.100 0.041 0.000 1.133 303 Y CB -0.285 38.196 38.460 0.036 0.000 0.987 303 Y HN 0.166 nan 8.280 nan 0.000 0.502 304 D N 0.017 120.541 120.400 0.206 0.000 2.149 304 D HA -0.251 4.389 4.640 0.000 0.000 0.194 304 D C 2.068 178.348 176.300 -0.033 0.000 1.001 304 D CA 1.869 55.934 54.000 0.108 0.000 0.849 304 D CB -0.351 40.528 40.800 0.132 0.000 0.939 304 D HN 0.392 nan 8.370 nan 0.000 0.449 305 M N 0.310 119.855 119.600 -0.092 0.000 2.099 305 M HA -0.086 4.395 4.480 0.000 0.000 0.262 305 M C 2.218 178.487 176.300 -0.051 0.000 1.067 305 M CA 1.191 56.427 55.300 -0.105 0.000 1.124 305 M CB -0.651 31.872 32.600 -0.128 0.000 1.353 305 M HN 0.029 nan 8.290 nan 0.000 0.410 306 C N -0.487 118.744 119.300 -0.115 0.000 2.432 306 C HA -0.176 4.284 4.460 0.000 0.000 0.277 306 C C 2.739 177.643 174.990 -0.144 0.000 1.249 306 C CA 1.486 60.422 59.018 -0.137 0.000 1.725 306 C CB -1.557 26.062 27.740 -0.201 0.000 2.028 306 C HN 0.732 nan 8.230 nan 0.000 0.477 307 H N 0.888 119.726 119.070 -0.386 0.000 2.352 307 H HA -0.150 4.406 4.556 0.000 0.000 0.299 307 H C 2.513 177.768 175.328 -0.121 0.000 1.097 307 H CA 2.225 58.073 56.048 -0.332 0.000 1.311 307 H CB -0.245 29.274 29.762 -0.404 0.000 1.377 307 H HN 0.340 nan 8.280 nan 0.000 0.504 308 R N -0.914 119.555 120.500 -0.052 0.000 2.066 308 R HA -0.179 4.161 4.340 0.000 0.000 0.232 308 R C 2.089 178.369 176.300 -0.033 0.000 1.131 308 R CA 1.619 57.692 56.100 -0.045 0.000 0.955 308 R CB -0.788 29.529 30.300 0.029 0.000 0.851 308 R HN 0.476 nan 8.270 nan 0.000 0.432 309 Y N 1.499 121.750 120.300 -0.083 0.000 2.128 309 Y HA -0.193 4.358 4.550 0.001 0.000 0.284 309 Y C 2.104 177.963 175.900 -0.069 0.000 1.154 309 Y CA 1.886 59.954 58.100 -0.053 0.000 1.149 309 Y CB -0.208 38.206 38.460 -0.076 0.000 0.976 309 Y HN 0.057 nan 8.280 nan 0.000 0.505 310 L N 0.031 121.301 121.223 0.078 0.000 2.362 310 L HA -0.187 4.153 4.340 0.000 0.000 0.219 310 L C 2.317 179.144 176.870 -0.072 0.000 1.134 310 L CA 1.383 56.233 54.840 0.017 0.000 0.807 310 L CB -0.365 41.687 42.059 -0.011 0.000 0.927 310 L HN 0.161 nan 8.230 nan 0.000 0.447 311 K N -0.293 120.020 120.400 -0.144 0.000 2.323 311 K HA -0.019 4.301 4.320 0.000 0.000 0.197 311 K C 1.726 178.253 176.600 -0.121 0.000 1.043 311 K CA 0.344 56.540 56.287 -0.152 0.000 0.997 311 K CB 0.420 32.782 32.500 -0.231 0.000 0.807 311 K HN 0.283 nan 8.250 nan 0.000 0.497 312 E N -0.078 120.034 120.200 -0.147 0.000 2.099 312 E HA 0.004 4.355 4.350 0.000 0.000 0.191 312 E C 0.379 176.868 176.600 -0.184 0.000 0.962 312 E CA 0.011 56.322 56.400 -0.149 0.000 0.826 312 E CB 0.319 29.933 29.700 -0.142 0.000 0.788 312 E HN -0.060 nan 8.360 nan 0.000 0.461 313 R N 2.453 122.778 120.500 -0.292 0.000 2.401 313 R HA 0.105 4.446 4.340 0.000 0.000 0.299 313 R C -0.789 175.457 176.300 -0.090 0.000 1.064 313 R CA 0.477 56.425 56.100 -0.252 0.000 1.000 313 R CB 0.258 30.306 30.300 -0.420 0.000 0.973 313 R HN 0.005 nan 8.270 nan 0.000 0.438 314 K N 3.268 123.629 120.400 -0.065 0.000 2.221 314 K HA 0.282 4.602 4.320 0.000 0.000 0.258 314 K C -0.629 175.990 176.600 0.032 0.000 0.944 314 K CA -0.752 55.539 56.287 0.007 0.000 0.823 314 K CB 1.805 34.292 32.500 -0.022 0.000 1.113 314 K HN 0.322 nan 8.250 nan 0.000 0.431 315 Q N 1.391 121.276 119.800 0.143 0.000 2.340 315 Q HA 0.335 4.675 4.340 0.000 0.000 0.276 315 Q C -1.253 174.962 176.000 0.358 0.000 1.048 315 Q CA -0.471 55.404 55.803 0.120 0.000 0.832 315 Q CB 0.893 29.692 28.738 0.101 0.000 1.373 315 Q HN 0.588 nan 8.270 nan 0.000 0.409 316 F N 1.741 121.740 119.950 0.082 0.000 3.034 316 F HA -0.202 4.326 4.527 0.000 0.000 0.286 316 F C 1.057 176.937 175.800 0.132 0.000 0.804 316 F CA 1.341 59.417 58.000 0.126 0.000 1.161 316 F CB -1.510 37.613 39.000 0.206 0.000 1.317 316 F HN 0.902 nan 8.300 nan 0.000 0.453 317 G N -0.649 108.258 108.800 0.178 0.000 2.198 317 G HA2 0.261 4.222 3.960 0.000 0.000 0.257 317 G HA3 0.261 4.222 3.960 0.000 0.000 0.257 317 G C -0.035 174.918 174.900 0.090 0.000 1.042 317 G CA 0.200 45.360 45.100 0.100 0.000 0.791 317 G HN 1.844 nan 8.290 nan 0.000 0.502 318 A N -1.076 121.826 122.820 0.136 0.000 2.605 318 A HA 0.858 5.178 4.320 0.000 0.000 0.294 318 A C -3.043 174.610 177.584 0.116 0.000 1.062 318 A CA -1.016 51.048 52.037 0.045 0.000 0.682 318 A CB 1.455 20.375 19.000 -0.134 0.000 1.278 318 A HN 0.117 nan 8.150 nan 0.000 0.410 319 P HA 0.232 nan 4.420 nan 0.000 0.268 319 P C 0.961 178.361 177.300 0.166 0.000 1.205 319 P CA -0.172 62.957 63.100 0.048 0.000 0.771 319 P CB 0.426 32.108 31.700 -0.030 0.000 0.858 320 L N 2.063 123.413 121.223 0.211 0.000 2.129 320 L HA -0.240 4.100 4.340 0.000 0.000 0.212 320 L C 2.128 179.169 176.870 0.285 0.000 1.087 320 L CA 1.873 56.912 54.840 0.332 0.000 0.757 320 L CB -0.949 41.210 42.059 0.167 0.000 0.896 320 L HN 0.427 nan 8.230 nan 0.000 0.434 321 A N -0.263 122.613 122.820 0.095 0.000 2.248 321 A HA 0.121 4.441 4.320 0.000 0.000 0.210 321 A C 2.267 179.842 177.584 -0.014 0.000 1.174 321 A CA 1.191 53.240 52.037 0.020 0.000 0.750 321 A CB -0.427 18.534 19.000 -0.065 0.000 0.780 321 A HN 0.398 nan 8.150 nan 0.000 0.478 322 A N -1.120 121.655 122.820 -0.075 0.000 2.147 322 A HA 0.472 4.792 4.320 0.000 0.000 0.211 322 A C 0.280 177.666 177.584 -0.331 0.000 1.160 322 A CA -0.154 51.728 52.037 -0.259 0.000 0.781 322 A CB -0.143 18.605 19.000 -0.420 0.000 0.842 322 A HN 0.339 nan 8.150 nan 0.000 0.475 323 F N 0.473 120.404 119.950 -0.032 0.000 2.410 323 F HA 0.272 4.799 4.527 0.000 0.000 0.348 323 F C 1.550 177.326 175.800 -0.039 0.000 1.106 323 F CA -0.416 57.557 58.000 -0.045 0.000 1.163 323 F CB 0.891 39.857 39.000 -0.057 0.000 1.129 323 F HN 0.159 nan 8.300 nan 0.000 0.516 324 Q N 1.693 121.563 119.800 0.117 0.000 2.062 324 Q HA -0.231 4.109 4.340 0.000 0.000 0.209 324 Q C 2.082 178.117 176.000 0.057 0.000 0.996 324 Q CA 1.859 57.697 55.803 0.058 0.000 0.859 324 Q CB -0.278 28.481 28.738 0.035 0.000 0.920 324 Q HN 0.690 nan 8.270 nan 0.000 0.415 325 L N 0.684 121.943 121.223 0.060 0.000 2.042 325 L HA -0.248 4.092 4.340 0.000 0.000 0.210 325 L C 1.842 178.729 176.870 0.028 0.000 1.076 325 L CA 1.685 56.541 54.840 0.026 0.000 0.749 325 L CB -0.433 41.623 42.059 -0.005 0.000 0.893 325 L HN 0.267 nan 8.230 nan 0.000 0.432 326 N N -1.543 117.193 118.700 0.059 0.000 2.270 326 N HA -0.171 4.569 4.740 0.000 0.000 0.181 326 N C 1.803 177.338 175.510 0.042 0.000 1.016 326 N CA 0.588 53.668 53.050 0.050 0.000 0.870 326 N CB 0.001 38.543 38.487 0.092 0.000 0.979 326 N HN 0.458 nan 8.380 nan 0.000 0.431 327 Q N 0.775 120.604 119.800 0.049 0.000 2.046 327 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 327 Q C 2.043 178.063 176.000 0.032 0.000 0.975 327 Q CA 1.024 56.848 55.803 0.036 0.000 0.836 327 Q CB -0.099 28.656 28.738 0.028 0.000 0.896 327 Q HN 0.430 nan 8.270 nan 0.000 0.428 328 Q N 0.708 120.524 119.800 0.028 0.000 2.135 328 Q HA -0.189 4.152 4.340 0.000 0.000 0.204 328 Q C 1.810 177.824 176.000 0.023 0.000 0.981 328 Q CA 1.115 56.931 55.803 0.023 0.000 0.856 328 Q CB 0.207 28.955 28.738 0.017 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.299 120.710 120.400 0.019 0.000 2.057 329 K HA -0.149 4.171 4.320 0.000 0.000 0.206 329 K C 2.157 178.779 176.600 0.036 0.000 1.050 329 K CA 0.670 56.965 56.287 0.014 0.000 0.935 329 K CB -0.353 32.144 32.500 -0.005 0.000 0.715 329 K HN 0.204 nan 8.250 nan 0.000 0.439 330 L N 1.411 122.661 121.223 0.046 0.000 2.056 330 L HA -0.136 4.204 4.340 0.000 0.000 0.207 330 L C 2.255 179.227 176.870 0.170 0.000 1.078 330 L CA 1.227 56.123 54.840 0.093 0.000 0.749 330 L CB -0.388 41.703 42.059 0.054 0.000 0.901 330 L HN 0.031 nan 8.230 nan 0.000 0.433 331 V N -3.539 116.428 119.914 0.088 0.000 2.667 331 V HA -0.197 3.924 4.120 0.000 0.000 0.252 331 V C 2.188 178.297 176.094 0.024 0.000 1.065 331 V CA 1.407 63.732 62.300 0.041 0.000 1.083 331 V CB -0.972 30.858 31.823 0.011 0.000 0.692 331 V HN 0.560 nan 8.190 nan 0.000 0.468 332 Q N -0.265 119.557 119.800 0.036 0.000 2.124 332 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 332 Q C 2.287 178.303 176.000 0.028 0.000 0.977 332 Q CA 2.220 58.039 55.803 0.026 0.000 0.850 332 Q CB -0.251 28.500 28.738 0.021 0.000 0.901 332 Q HN 0.653 nan 8.270 nan 0.000 0.429 333 M N -0.281 119.360 119.600 0.067 0.000 2.099 333 M HA -0.168 4.312 4.480 0.000 0.000 0.262 333 M C 2.105 178.418 176.300 0.022 0.000 1.067 333 M CA 1.003 56.362 55.300 0.099 0.000 1.124 333 M CB -0.245 32.488 32.600 0.222 0.000 1.353 333 M HN 0.213 nan 8.290 nan 0.000 0.410 334 L N 0.544 121.741 121.223 -0.043 0.000 2.042 334 L HA -0.072 4.269 4.340 0.000 0.000 0.210 334 L C 2.314 179.047 176.870 -0.228 0.000 1.076 334 L CA 2.068 56.689 54.840 -0.365 0.000 0.749 334 L CB -1.181 40.621 42.059 -0.427 0.000 0.893 334 L HN 0.272 nan 8.230 nan 0.000 0.432 335 G N -1.143 107.589 108.800 -0.114 0.000 2.404 335 G HA2 -0.293 3.667 3.960 0.000 0.000 0.215 335 G HA3 -0.293 3.667 3.960 0.000 0.000 0.215 335 G C 1.457 176.347 174.900 -0.017 0.000 1.174 335 G CA 0.865 45.924 45.100 -0.068 0.000 0.780 335 G HN 0.550 nan 8.290 nan 0.000 0.537 336 N N -0.091 118.609 118.700 -0.001 0.000 2.149 336 N HA -0.118 4.622 4.740 0.000 0.000 0.188 336 N C 2.224 177.755 175.510 0.036 0.000 1.019 336 N CA 0.949 54.010 53.050 0.019 0.000 0.857 336 N CB -0.050 38.424 38.487 -0.021 0.000 0.997 336 N HN 0.181 nan 8.380 nan 0.000 0.426 337 V N 1.628 121.542 119.914 -0.001 0.000 2.270 337 V HA -0.206 3.914 4.120 0.000 0.000 0.245 337 V C 2.290 178.442 176.094 0.098 0.000 1.043 337 V CA 1.460 63.777 62.300 0.027 0.000 1.014 337 V CB -0.470 31.331 31.823 -0.036 0.000 0.645 337 V HN 0.307 nan 8.190 nan 0.000 0.447 338 Q N 0.251 120.082 119.800 0.052 0.000 2.096 338 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 338 Q C 2.368 178.503 176.000 0.225 0.000 0.982 338 Q CA 2.134 58.039 55.803 0.170 0.000 0.850 338 Q CB -0.979 27.553 28.738 -0.342 0.000 0.901 338 Q HN 0.648 nan 8.270 nan 0.000 0.422 339 A N 0.691 123.611 122.820 0.167 0.000 1.873 339 A HA -0.121 4.199 4.320 0.000 0.000 0.215 339 A C 2.241 179.970 177.584 0.240 0.000 1.186 339 A CA 1.435 53.608 52.037 0.225 0.000 0.616 339 A CB -0.532 18.662 19.000 0.323 0.000 0.823 339 A HN 0.296 nan 8.150 nan 0.000 0.442 340 M N -2.060 117.697 119.600 0.262 0.000 2.108 340 M HA -0.146 4.334 4.480 0.000 0.000 0.261 340 M C 2.120 178.377 176.300 -0.071 0.000 1.066 340 M CA 1.927 57.333 55.300 0.177 0.000 1.107 340 M CB -0.400 32.246 32.600 0.077 0.000 1.356 340 M HN 0.587 nan 8.290 nan 0.000 0.406 341 F N 1.053 120.852 119.950 -0.252 0.000 2.060 341 F HA -0.205 4.322 4.527 0.001 0.000 0.295 341 F C 1.945 177.523 175.800 -0.369 0.000 1.120 341 F CA 1.572 59.257 58.000 -0.525 0.000 1.205 341 F CB -0.227 38.233 39.000 -0.900 0.000 0.986 341 F HN -0.058 nan 8.300 nan 0.000 0.470 342 L N -0.492 120.784 121.223 0.088 0.000 2.081 342 L HA -0.283 4.057 4.340 0.000 0.000 0.212 342 L C 2.462 179.422 176.870 0.149 0.000 1.080 342 L CA 1.453 56.417 54.840 0.207 0.000 0.754 342 L CB -0.663 41.545 42.059 0.247 0.000 0.893 342 L HN 0.315 nan 8.230 nan 0.000 0.433 343 M N 0.153 119.744 119.600 -0.015 0.000 2.067 343 M HA -0.107 4.373 4.480 0.000 0.000 0.260 343 M C 2.107 178.319 176.300 -0.145 0.000 1.069 343 M CA 2.136 57.380 55.300 -0.093 0.000 1.117 343 M CB -0.917 31.613 32.600 -0.116 0.000 1.334 343 M HN 0.163 nan 8.290 nan 0.000 0.407 344 G N -1.708 106.872 108.800 -0.366 0.000 2.408 344 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 344 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 344 G C 1.313 176.214 174.900 0.003 0.000 1.150 344 G CA 0.792 45.565 45.100 -0.546 0.000 0.776 344 G HN 0.687 nan 8.290 nan 0.000 0.542 345 W N 1.641 122.813 121.300 -0.214 0.000 2.355 345 W HA -0.082 4.578 4.660 0.000 0.000 0.309 345 W C 2.624 179.177 176.519 0.056 0.000 1.206 345 W CA 1.693 59.065 57.345 0.046 0.000 1.284 345 W CB -0.097 29.312 29.460 -0.084 0.000 1.145 345 W HN 0.139 nan 8.180 nan 0.000 0.502 346 R N 0.708 121.151 120.500 -0.095 0.000 2.081 346 R HA -0.176 4.164 4.340 0.000 0.000 0.235 346 R C 2.155 178.296 176.300 -0.266 0.000 1.131 346 R CA 2.034 57.923 56.100 -0.351 0.000 0.960 346 R CB -1.378 28.887 30.300 -0.058 0.000 0.856 346 R HN 0.374 nan 8.270 nan 0.000 0.436 347 L N -0.173 120.979 121.223 -0.118 0.000 2.042 347 L HA -0.231 4.110 4.340 0.000 0.000 0.210 347 L C 2.131 178.975 176.870 -0.042 0.000 1.076 347 L CA 1.859 56.664 54.840 -0.058 0.000 0.749 347 L CB -0.620 41.433 42.059 -0.010 0.000 0.893 347 L HN 0.326 nan 8.230 nan 0.000 0.432 348 C N -0.585 118.692 119.300 -0.039 0.000 2.432 348 C HA -0.122 4.338 4.460 0.000 0.000 0.277 348 C C 2.549 177.464 174.990 -0.125 0.000 1.249 348 C CA 0.427 59.409 59.018 -0.061 0.000 1.725 348 C CB -0.970 26.713 27.740 -0.094 0.000 2.028 348 C HN 0.422 nan 8.230 nan 0.000 0.477 349 K N 0.834 121.041 120.400 -0.323 0.000 2.442 349 K HA 0.060 4.380 4.320 0.000 0.000 0.198 349 K C 1.661 178.136 176.600 -0.209 0.000 1.042 349 K CA 0.798 56.880 56.287 -0.341 0.000 0.958 349 K CB -0.406 31.710 32.500 -0.639 0.000 0.766 349 K HN 0.561 nan 8.250 nan 0.000 0.474 350 L N -0.987 120.145 121.223 -0.151 0.000 2.127 350 L HA -0.092 4.248 4.340 0.000 0.000 0.203 350 L C 2.333 179.181 176.870 -0.038 0.000 1.080 350 L CA 0.713 55.499 54.840 -0.089 0.000 0.768 350 L CB -0.387 41.630 42.059 -0.069 0.000 0.924 350 L HN 0.033 nan 8.230 nan 0.000 0.444 351 Y N 0.883 121.114 120.300 -0.116 0.000 2.242 351 Y HA -0.245 4.305 4.550 0.000 0.000 0.291 351 Y C 2.506 178.349 175.900 -0.094 0.000 1.137 351 Y CA 1.688 59.730 58.100 -0.096 0.000 1.181 351 Y CB 0.053 38.459 38.460 -0.091 0.000 0.989 351 Y HN 0.166 nan 8.280 nan 0.000 0.527 352 E N -0.839 119.321 120.200 -0.067 0.000 2.072 352 E HA -0.171 4.179 4.350 0.000 0.000 0.191 352 E C 1.915 178.418 176.600 -0.162 0.000 0.985 352 E CA 1.847 58.175 56.400 -0.119 0.000 0.801 352 E CB -0.067 29.590 29.700 -0.070 0.000 0.750 352 E HN 0.601 nan 8.360 nan 0.000 0.452 353 T N -2.990 111.479 114.554 -0.141 0.000 3.118 353 T HA 0.121 4.471 4.350 0.000 0.000 0.260 353 T C 1.467 176.080 174.700 -0.146 0.000 1.139 353 T CA 0.511 62.536 62.100 -0.125 0.000 1.085 353 T CB 0.235 69.042 68.868 -0.101 0.000 0.934 353 T HN 0.302 nan 8.240 nan 0.000 0.518 354 G N 2.245 110.920 108.800 -0.208 0.000 2.153 354 G HA2 -0.320 3.641 3.960 0.000 0.000 0.252 354 G HA3 -0.320 3.641 3.960 0.000 0.000 0.252 354 G C 0.486 175.296 174.900 -0.149 0.000 0.994 354 G CA 0.401 45.362 45.100 -0.232 0.000 0.698 354 G HN 0.806 nan 8.290 nan 0.000 0.521 355 Q N -1.075 118.657 119.800 -0.113 0.000 2.198 355 Q HA 0.535 4.876 4.340 0.000 0.000 0.209 355 Q C 1.081 177.048 176.000 -0.055 0.000 0.848 355 Q CA -0.429 55.328 55.803 -0.076 0.000 0.974 355 Q CB 0.496 29.194 28.738 -0.067 0.000 1.115 355 Q HN 0.560 nan 8.270 nan 0.000 0.494 356 M N 2.829 122.404 119.600 -0.043 0.000 2.211 356 M HA 0.208 4.688 4.480 0.000 0.000 0.356 356 M C -0.722 175.579 176.300 0.001 0.000 1.216 356 M CA 0.283 55.582 55.300 -0.002 0.000 1.134 356 M CB 1.149 33.791 32.600 0.070 0.000 1.564 356 M HN 0.286 nan 8.290 nan 0.000 0.463 357 T N 2.054 116.603 114.554 -0.008 0.000 2.885 357 T HA 0.501 4.851 4.350 0.000 0.000 0.285 357 T C -2.281 172.411 174.700 -0.013 0.000 1.019 357 T CA -1.779 60.313 62.100 -0.013 0.000 1.010 357 T CB 1.377 70.233 68.868 -0.021 0.000 1.022 357 T HN 0.428 nan 8.240 nan 0.000 0.466 358 P HA -0.169 nan 4.420 nan 0.000 0.220 358 P C 1.776 179.064 177.300 -0.020 0.000 1.155 358 P CA 1.806 64.892 63.100 -0.023 0.000 0.880 358 P CB -0.338 31.346 31.700 -0.028 0.000 0.790 359 G N -0.817 107.973 108.800 -0.016 0.000 2.408 359 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 359 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 359 G C 1.538 176.422 174.900 -0.028 0.000 1.150 359 G CA 0.540 45.630 45.100 -0.016 0.000 0.776 359 G HN 0.317 nan 8.290 nan 0.000 0.542 360 Q N 0.133 119.915 119.800 -0.030 0.000 2.084 360 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 360 Q C 3.003 178.978 176.000 -0.040 0.000 0.978 360 Q CA 1.295 57.075 55.803 -0.039 0.000 0.844 360 Q CB -0.241 28.475 28.738 -0.037 0.000 0.898 360 Q HN 0.470 nan 8.270 nan 0.000 0.426 361 A N 0.216 123.015 122.820 -0.034 0.000 1.930 361 A HA -0.141 4.179 4.320 0.000 0.000 0.217 361 A C 2.223 179.778 177.584 -0.048 0.000 1.175 361 A CA 1.545 53.557 52.037 -0.041 0.000 0.627 361 A CB -0.390 18.583 19.000 -0.045 0.000 0.815 361 A HN 0.222 nan 8.150 nan 0.000 0.443 362 S N -0.637 115.035 115.700 -0.046 0.000 2.402 362 S HA -0.088 4.382 4.470 0.000 0.000 0.229 362 S C 1.809 176.369 174.600 -0.066 0.000 1.021 362 S CA 1.250 59.416 58.200 -0.056 0.000 0.974 362 S CB -0.306 62.871 63.200 -0.038 0.000 0.800 362 S HN 0.481 nan 8.310 nan 0.000 0.484 363 L N 2.089 123.282 121.223 -0.051 0.000 2.056 363 L HA 0.087 4.427 4.340 0.000 0.000 0.207 363 L C 2.198 179.074 176.870 0.009 0.000 1.078 363 L CA 1.834 56.654 54.840 -0.035 0.000 0.749 363 L CB -1.356 40.675 42.059 -0.046 0.000 0.901 363 L HN 0.278 nan 8.230 nan 0.000 0.433 364 G N -0.452 108.338 108.800 -0.017 0.000 2.545 364 G HA2 -0.344 3.617 3.960 0.000 0.000 0.217 364 G HA3 -0.344 3.617 3.960 0.000 0.000 0.217 364 G C 1.701 176.615 174.900 0.024 0.000 1.218 364 G CA 0.929 46.027 45.100 -0.004 0.000 0.787 364 G HN 0.314 nan 8.290 nan 0.000 0.571 365 K N 1.217 121.602 120.400 -0.025 0.000 2.032 365 K HA -0.076 4.245 4.320 0.000 0.000 0.209 365 K C 2.823 179.408 176.600 -0.025 0.000 1.048 365 K CA 1.685 57.943 56.287 -0.048 0.000 0.927 365 K CB -0.774 31.669 32.500 -0.094 0.000 0.712 365 K HN 0.203 nan 8.250 nan 0.000 0.441 366 A N 0.395 123.192 122.820 -0.039 0.000 1.851 366 A HA -0.217 4.104 4.320 0.000 0.000 0.216 366 A C 2.172 179.865 177.584 0.181 0.000 1.195 366 A CA 1.775 53.785 52.037 -0.044 0.000 0.622 366 A CB -1.341 17.482 19.000 -0.296 0.000 0.831 366 A HN 0.658 nan 8.150 nan 0.000 0.444 367 W N 0.408 121.718 121.300 0.016 0.000 2.354 367 W HA -0.175 4.485 4.660 0.000 0.000 0.315 367 W C 1.954 178.503 176.519 0.050 0.000 1.206 367 W CA 2.119 59.506 57.345 0.071 0.000 1.290 367 W CB -0.288 29.180 29.460 0.013 0.000 1.152 367 W HN 0.325 nan 8.180 nan 0.000 0.489 368 I N 0.586 121.318 120.570 0.270 0.000 2.163 368 I HA -0.393 3.777 4.170 0.000 0.000 0.243 368 I C 2.769 178.859 176.117 -0.046 0.000 1.085 368 I CA 1.927 63.283 61.300 0.092 0.000 1.347 368 I CB -1.008 37.030 38.000 0.063 0.000 1.044 368 I HN 0.067 nan 8.210 nan 0.000 0.408 369 S N -0.594 115.103 115.700 -0.006 0.000 2.382 369 S HA -0.225 4.245 4.470 0.000 0.000 0.228 369 S C 2.132 176.784 174.600 0.086 0.000 1.027 369 S CA 1.593 59.808 58.200 0.025 0.000 0.991 369 S CB -0.649 62.539 63.200 -0.020 0.000 0.823 369 S HN 0.440 nan 8.310 nan 0.000 0.469 370 S N 1.714 117.425 115.700 0.017 0.000 2.368 370 S HA -0.058 4.412 4.470 0.000 0.000 0.224 370 S C 1.825 176.311 174.600 -0.191 0.000 1.029 370 S CA 1.014 59.193 58.200 -0.035 0.000 0.988 370 S CB -0.341 62.781 63.200 -0.129 0.000 0.838 370 S HN 0.463 nan 8.310 nan 0.000 0.462 371 K N 1.623 121.804 120.400 -0.365 0.000 2.217 371 K HA 0.261 4.581 4.320 0.000 0.000 0.202 371 K C 2.206 178.697 176.600 -0.182 0.000 1.051 371 K CA 1.024 57.084 56.287 -0.379 0.000 0.952 371 K CB -1.159 30.945 32.500 -0.660 0.000 0.736 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 A N 1.855 124.604 122.820 -0.118 0.000 1.933 372 A HA -0.151 4.169 4.320 0.000 0.000 0.218 372 A C 2.244 179.817 177.584 -0.018 0.000 1.175 372 A CA 1.139 53.154 52.037 -0.036 0.000 0.628 372 A CB -0.289 18.709 19.000 -0.004 0.000 0.814 372 A HN 0.162 nan 8.150 nan 0.000 0.444 373 R N -0.380 120.095 120.500 -0.042 0.000 2.073 373 R HA -0.140 4.200 4.340 0.000 0.000 0.234 373 R C 2.108 178.385 176.300 -0.038 0.000 1.134 373 R CA 1.648 57.703 56.100 -0.075 0.000 0.952 373 R CB -0.451 29.729 30.300 -0.200 0.000 0.850 373 R HN 0.700 nan 8.270 nan 0.000 0.433 374 E N -0.385 119.773 120.200 -0.071 0.000 2.058 374 E HA -0.155 4.195 4.350 0.000 0.000 0.194 374 E C 1.935 178.526 176.600 -0.016 0.000 0.997 374 E CA 1.862 58.229 56.400 -0.054 0.000 0.801 374 E CB -0.059 29.587 29.700 -0.090 0.000 0.746 374 E HN 0.332 nan 8.360 nan 0.000 0.450 375 T N 0.849 115.396 114.554 -0.012 0.000 2.746 375 T HA -0.152 4.199 4.350 0.000 0.000 0.267 375 T C 1.979 176.710 174.700 0.052 0.000 1.039 375 T CA 1.236 63.349 62.100 0.022 0.000 1.142 375 T CB -0.210 68.675 68.868 0.028 0.000 0.866 375 T HN 0.240 nan 8.240 nan 0.000 0.444 376 A N 1.015 123.884 122.820 0.082 0.000 1.930 376 A HA -0.055 4.265 4.320 0.000 0.000 0.217 376 A C 2.567 180.258 177.584 0.179 0.000 1.175 376 A CA 1.942 54.078 52.037 0.165 0.000 0.627 376 A CB -0.987 18.152 19.000 0.231 0.000 0.815 376 A HN 0.444 nan 8.150 nan 0.000 0.443 377 S N -0.463 115.336 115.700 0.164 0.000 2.368 377 S HA -0.093 4.378 4.470 0.000 0.000 0.225 377 S C 1.939 176.494 174.600 -0.075 0.000 1.030 377 S CA 1.433 59.672 58.200 0.066 0.000 0.999 377 S CB -0.472 62.780 63.200 0.087 0.000 0.844 377 S HN 0.493 nan 8.310 nan 0.000 0.459 378 L N 0.690 121.890 121.223 -0.038 0.000 2.027 378 L HA 0.044 4.384 4.340 0.000 0.000 0.206 378 L C 2.914 179.735 176.870 -0.083 0.000 1.074 378 L CA 1.206 56.013 54.840 -0.055 0.000 0.745 378 L CB -1.211 40.836 42.059 -0.020 0.000 0.898 378 L HN 0.471 nan 8.230 nan 0.000 0.433 379 G N -0.360 108.403 108.800 -0.062 0.000 2.440 379 G HA2 -0.282 3.679 3.960 0.000 0.000 0.218 379 G HA3 -0.282 3.679 3.960 0.000 0.000 0.218 379 G C 1.801 176.595 174.900 -0.177 0.000 1.154 379 G CA 0.388 45.433 45.100 -0.091 0.000 0.767 379 G HN 0.141 nan 8.290 nan 0.000 0.552 380 R N 1.328 121.688 120.500 -0.233 0.000 2.081 380 R HA -0.091 4.249 4.340 0.000 0.000 0.235 380 R C 2.630 178.728 176.300 -0.336 0.000 1.131 380 R CA 1.865 57.742 56.100 -0.371 0.000 0.960 380 R CB -0.380 29.481 30.300 -0.732 0.000 0.856 380 R HN 0.716 nan 8.270 nan 0.000 0.436 381 E N -0.260 119.776 120.200 -0.274 0.000 2.285 381 E HA -0.097 4.253 4.350 0.000 0.000 0.194 381 E C 2.109 178.600 176.600 -0.183 0.000 0.997 381 E CA 0.416 56.687 56.400 -0.216 0.000 0.845 381 E CB -0.315 29.284 29.700 -0.168 0.000 0.782 381 E HN 0.284 nan 8.360 nan 0.000 0.491 382 L N 0.188 121.303 121.223 -0.179 0.000 2.141 382 L HA -0.118 4.223 4.340 0.000 0.000 0.209 382 L C 1.869 178.621 176.870 -0.197 0.000 1.094 382 L CA 0.596 55.348 54.840 -0.147 0.000 0.763 382 L CB -0.048 41.938 42.059 -0.121 0.000 0.908 382 L HN 0.213 nan 8.230 nan 0.000 0.437 383 L N -0.870 120.138 121.223 -0.358 0.000 2.554 383 L HA 0.148 4.488 4.340 0.000 0.000 0.226 383 L C 1.617 178.230 176.870 -0.428 0.000 1.137 383 L CA 1.020 55.475 54.840 -0.641 0.000 0.863 383 L CB -0.695 40.785 42.059 -0.966 0.000 0.985 383 L HN 0.322 nan 8.230 nan 0.000 0.451 384 G N -0.127 108.510 108.800 -0.272 0.000 2.602 384 G HA2 -0.411 3.550 3.960 0.000 0.000 0.310 384 G HA3 -0.411 3.550 3.960 0.000 0.000 0.310 384 G C 1.161 175.929 174.900 -0.220 0.000 1.183 384 G CA 0.380 45.364 45.100 -0.194 0.000 0.979 384 G HN 0.423 nan 8.290 nan 0.000 0.545 385 G N 0.418 109.101 108.800 -0.195 0.000 2.453 385 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 385 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 385 G C 1.441 176.179 174.900 -0.272 0.000 1.201 385 G CA 1.481 46.468 45.100 -0.189 0.000 0.784 385 G HN 0.855 nan 8.290 nan 0.000 0.545 386 N N 0.967 119.399 118.700 -0.447 0.000 2.635 386 N HA 0.047 4.787 4.740 0.000 0.000 0.191 386 N C 1.979 177.182 175.510 -0.511 0.000 1.155 386 N CA 0.390 53.075 53.050 -0.608 0.000 0.927 386 N CB -0.002 37.702 38.487 -1.305 0.000 0.976 386 N HN 0.343 nan 8.380 nan 0.000 0.448 387 G N 1.078 109.616 108.800 -0.436 0.000 2.598 387 G HA2 -0.099 3.862 3.960 0.000 0.000 0.215 387 G HA3 -0.099 3.862 3.960 0.000 0.000 0.215 387 G C 1.242 175.996 174.900 -0.243 0.000 1.131 387 G CA 0.188 45.072 45.100 -0.359 0.000 0.785 387 G HN 0.520 nan 8.290 nan 0.000 0.539 388 I N -2.531 117.933 120.570 -0.178 0.000 4.018 388 I HA 0.484 4.654 4.170 0.000 0.000 0.337 388 I C -0.380 175.723 176.117 -0.023 0.000 1.327 388 I CA -0.530 60.718 61.300 -0.087 0.000 1.100 388 I CB 0.430 38.394 38.000 -0.060 0.000 1.025 388 I HN -0.239 nan 8.210 nan 0.000 0.396 389 L N 1.788 122.995 121.223 -0.026 0.000 2.275 389 L HA 0.557 4.897 4.340 0.000 0.000 0.288 389 L C 1.399 178.293 176.870 0.041 0.000 1.046 389 L CA 0.088 54.961 54.840 0.056 0.000 0.805 389 L CB 1.653 43.803 42.059 0.152 0.000 1.193 389 L HN 0.180 nan 8.230 nan 0.000 0.426 390 A N 1.891 124.712 122.820 0.002 0.000 2.121 390 A HA -0.105 4.215 4.320 0.000 0.000 0.218 390 A C 1.618 179.152 177.584 -0.084 0.000 1.154 390 A CA 1.041 53.009 52.037 -0.114 0.000 0.679 390 A CB -0.415 18.517 19.000 -0.113 0.000 0.795 390 A HN 0.833 nan 8.150 nan 0.000 0.458 391 D N -0.831 119.543 120.400 -0.044 0.000 2.221 391 D HA -0.122 4.518 4.640 0.000 0.000 0.204 391 D C 0.330 176.417 176.300 -0.355 0.000 0.982 391 D CA 1.165 55.053 54.000 -0.186 0.000 0.857 391 D CB -0.129 40.534 40.800 -0.228 0.000 0.934 391 D HN 0.574 nan 8.370 nan 0.000 0.475 392 F N -0.227 119.659 119.950 -0.107 0.000 2.684 392 F HA 0.158 4.685 4.527 0.000 0.000 0.298 392 F C 1.378 177.086 175.800 -0.153 0.000 1.120 392 F CA -0.337 57.584 58.000 -0.131 0.000 1.332 392 F CB 0.344 39.226 39.000 -0.197 0.000 0.986 392 F HN -0.265 nan 8.300 nan 0.000 0.524 393 L N -1.401 119.801 121.223 -0.034 0.000 3.447 393 L HA -0.453 3.887 4.340 0.000 0.000 0.337 393 L C 1.520 178.349 176.870 -0.069 0.000 4.145 393 L CA 2.326 57.132 54.840 -0.056 0.000 1.229 393 L CB -1.486 40.558 42.059 -0.025 0.000 3.307 393 L HN -0.013 nan 8.230 nan 0.000 0.751 394 V N 0.161 120.044 119.914 -0.052 0.000 2.278 394 V HA -0.366 3.754 4.120 0.000 0.000 0.251 394 V C 2.778 178.854 176.094 -0.029 0.000 1.062 394 V CA 3.160 65.429 62.300 -0.051 0.000 1.038 394 V CB -1.655 30.098 31.823 -0.116 0.000 0.646 394 V HN 0.844 nan 8.190 nan 0.000 0.447 395 A N 0.013 122.790 122.820 -0.071 0.000 1.883 395 A HA -0.304 4.016 4.320 0.000 0.000 0.217 395 A C 2.379 179.936 177.584 -0.045 0.000 1.186 395 A CA 2.421 54.439 52.037 -0.032 0.000 0.624 395 A CB -0.572 18.393 19.000 -0.057 0.000 0.822 395 A HN 0.591 nan 8.150 nan 0.000 0.444 396 K N -0.322 119.901 120.400 -0.294 0.000 2.026 396 K HA -0.099 4.221 4.320 0.000 0.000 0.208 396 K C 2.102 178.513 176.600 -0.314 0.000 1.048 396 K CA 1.433 57.288 56.287 -0.720 0.000 0.929 396 K CB -0.374 31.522 32.500 -1.007 0.000 0.713 396 K HN 0.338 nan 8.250 nan 0.000 0.439 397 A N 0.605 123.349 122.820 -0.126 0.000 1.969 397 A HA -0.113 4.207 4.320 0.000 0.000 0.218 397 A C 1.952 179.587 177.584 0.086 0.000 1.169 397 A CA 1.077 53.120 52.037 0.010 0.000 0.635 397 A CB -0.744 18.284 19.000 0.046 0.000 0.810 397 A HN 0.557 nan 8.150 nan 0.000 0.445 398 F N 0.341 120.269 119.950 -0.037 0.000 2.102 398 F HA -0.234 4.293 4.527 0.000 0.000 0.298 398 F C 2.369 178.187 175.800 0.031 0.000 1.105 398 F CA 1.754 59.746 58.000 -0.014 0.000 1.239 398 F CB -0.687 38.291 39.000 -0.038 0.000 0.991 398 F HN 0.284 nan 8.300 nan 0.000 0.474 399 C N 0.479 119.794 119.300 0.025 0.000 2.466 399 C HA -0.133 4.328 4.460 0.000 0.000 0.278 399 C C 2.433 177.485 174.990 0.104 0.000 1.288 399 C CA 1.208 60.252 59.018 0.043 0.000 1.722 399 C CB -1.128 26.826 27.740 0.357 0.000 2.017 399 C HN 0.468 nan 8.230 nan 0.000 0.488 400 D N 0.511 121.019 120.400 0.180 0.000 2.221 400 D HA -0.109 4.531 4.640 0.000 0.000 0.204 400 D C 1.906 178.292 176.300 0.143 0.000 0.982 400 D CA 0.811 54.943 54.000 0.220 0.000 0.857 400 D CB -0.347 40.572 40.800 0.199 0.000 0.934 400 D HN 0.433 nan 8.370 nan 0.000 0.475 401 L N 0.479 121.735 121.223 0.055 0.000 2.179 401 L HA -0.088 4.252 4.340 0.000 0.000 0.208 401 L C 2.120 179.008 176.870 0.030 0.000 1.096 401 L CA 0.818 55.683 54.840 0.043 0.000 0.779 401 L CB 0.086 42.142 42.059 -0.005 0.000 0.922 401 L HN -0.141 nan 8.230 nan 0.000 0.443 402 E N 0.340 120.506 120.200 -0.056 0.000 2.070 402 E HA -0.204 4.147 4.350 0.000 0.000 0.197 402 E C -0.478 176.156 176.600 0.056 0.000 1.004 402 E CA 1.759 58.117 56.400 -0.071 0.000 0.805 402 E CB -1.650 27.958 29.700 -0.153 0.000 0.744 402 E HN 0.497 nan 8.360 nan 0.000 0.451 403 P HA -0.080 nan 4.420 nan 0.000 0.217 403 P C 1.791 179.286 177.300 0.325 0.000 1.150 403 P CA 1.050 64.240 63.100 0.149 0.000 0.832 403 P CB -0.158 31.610 31.700 0.114 0.000 0.787 404 I N -1.669 119.087 120.570 0.309 0.000 2.286 404 I HA -0.259 3.911 4.170 0.000 0.000 0.248 404 I C 2.690 178.792 176.117 -0.025 0.000 1.115 404 I CA 1.408 62.778 61.300 0.117 0.000 1.392 404 I CB -0.905 37.170 38.000 0.124 0.000 1.065 404 I HN -0.133 nan 8.210 nan 0.000 0.418 405 Y N 1.527 121.798 120.300 -0.048 0.000 2.256 405 Y HA -0.287 4.263 4.550 0.000 0.000 0.288 405 Y C 2.548 178.426 175.900 -0.037 0.000 1.155 405 Y CA 2.085 60.153 58.100 -0.053 0.000 1.203 405 Y CB -0.125 38.293 38.460 -0.070 0.000 0.980 405 Y HN 0.054 nan 8.280 nan 0.000 0.530 406 T N -0.798 113.819 114.554 0.104 0.000 3.004 406 T HA -0.004 4.346 4.350 0.000 0.000 0.243 406 T C -0.199 174.495 174.700 -0.010 0.000 1.020 406 T CA 0.519 62.644 62.100 0.042 0.000 1.145 406 T CB -0.443 68.458 68.868 0.056 0.000 0.876 406 T HN 0.323 nan 8.240 nan 0.000 0.449 407 Y N 1.891 122.141 120.300 -0.084 0.000 2.314 407 Y HA 0.475 5.025 4.550 0.000 0.000 0.334 407 Y C 0.545 176.416 175.900 -0.048 0.000 1.266 407 Y CA -1.026 57.021 58.100 -0.089 0.000 1.391 407 Y CB 0.286 38.682 38.460 -0.106 0.000 1.306 407 Y HN 0.178 nan 8.280 nan 0.000 0.558 408 E N 1.149 121.341 120.200 -0.012 0.000 2.416 408 E HA -0.082 4.268 4.350 0.000 0.000 0.249 408 E C -0.096 176.443 176.600 -0.102 0.000 1.124 408 E CA 1.319 57.661 56.400 -0.096 0.000 0.732 408 E CB -1.591 27.946 29.700 -0.272 0.000 1.286 408 E HN 1.795 nan 8.360 nan 0.000 0.394 409 G N 0.206 108.982 108.800 -0.040 0.000 3.405 409 G HA2 -0.064 3.897 3.960 0.000 0.000 0.676 409 G HA3 -0.064 3.897 3.960 0.000 0.000 0.676 409 G C 0.026 174.876 174.900 -0.085 0.000 1.039 409 G CA 0.205 45.282 45.100 -0.039 0.000 0.855 409 G HN 0.895 nan 8.290 nan 0.000 0.443 410 T N 2.098 116.618 114.554 -0.056 0.000 2.932 410 T HA 0.220 4.571 4.350 0.000 0.000 0.312 410 T C 1.601 176.234 174.700 -0.112 0.000 1.071 410 T CA 0.957 63.015 62.100 -0.071 0.000 1.128 410 T CB 0.420 69.280 68.868 -0.012 0.000 0.984 410 T HN 1.147 nan 8.240 nan 0.000 0.549 411 Y N 3.357 123.448 120.300 -0.349 0.000 2.062 411 Y HA -0.285 4.266 4.550 0.000 0.000 0.276 411 Y C 2.071 177.855 175.900 -0.193 0.000 1.189 411 Y CA 2.763 60.633 58.100 -0.384 0.000 1.130 411 Y CB -0.303 37.773 38.460 -0.639 0.000 0.959 411 Y HN 0.790 nan 8.280 nan 0.000 0.499 412 D N -0.030 120.358 120.400 -0.020 0.000 2.117 412 D HA -0.198 4.442 4.640 0.000 0.000 0.197 412 D C 2.325 178.501 176.300 -0.206 0.000 0.987 412 D CA 1.482 55.431 54.000 -0.086 0.000 0.829 412 D CB -0.282 40.518 40.800 -0.000 0.000 0.961 412 D HN 0.352 nan 8.370 nan 0.000 0.460 413 I N 1.287 121.767 120.570 -0.150 0.000 2.179 413 I HA -0.227 3.944 4.170 0.000 0.000 0.242 413 I C 1.808 177.865 176.117 -0.100 0.000 1.088 413 I CA 1.126 62.353 61.300 -0.122 0.000 1.357 413 I CB -0.994 37.024 38.000 0.029 0.000 1.051 413 I HN -0.046 nan 8.210 nan 0.000 0.409 414 N N 0.572 119.191 118.700 -0.134 0.000 2.069 414 N HA -0.177 4.563 4.740 0.000 0.000 0.191 414 N C 1.794 177.193 175.510 -0.185 0.000 1.031 414 N CA 2.351 55.319 53.050 -0.136 0.000 0.852 414 N CB -0.477 37.898 38.487 -0.188 0.000 1.018 414 N HN 0.473 nan 8.380 nan 0.000 0.423 415 T N -1.187 113.164 114.554 -0.338 0.000 2.881 415 T HA -0.069 4.281 4.350 0.000 0.000 0.270 415 T C 1.831 176.407 174.700 -0.207 0.000 1.068 415 T CA 0.855 62.763 62.100 -0.320 0.000 1.131 415 T CB -0.412 68.178 68.868 -0.463 0.000 0.871 415 T HN 0.123 nan 8.240 nan 0.000 0.479 416 L N 0.335 121.406 121.223 -0.253 0.000 2.270 416 L HA 0.076 4.416 4.340 0.000 0.000 0.210 416 L C 2.808 179.688 176.870 0.017 0.000 1.104 416 L CA 0.296 54.946 54.840 -0.318 0.000 0.804 416 L CB -0.304 41.216 42.059 -0.900 0.000 0.937 416 L HN 0.156 nan 8.230 nan 0.000 0.450 417 V N -0.630 119.397 119.914 0.188 0.000 2.307 417 V HA -0.262 3.858 4.120 0.000 0.000 0.245 417 V C 2.497 178.657 176.094 0.109 0.000 1.045 417 V CA 2.363 64.834 62.300 0.284 0.000 1.024 417 V CB -0.841 31.093 31.823 0.185 0.000 0.651 417 V HN 0.447 nan 8.190 nan 0.000 0.449 418 T N 0.379 114.948 114.554 0.025 0.000 2.833 418 T HA -0.095 4.255 4.350 0.000 0.000 0.269 418 T C 1.907 176.609 174.700 0.003 0.000 1.054 418 T CA 1.404 63.501 62.100 -0.005 0.000 1.135 418 T CB -0.600 68.244 68.868 -0.041 0.000 0.869 418 T HN 0.623 nan 8.240 nan 0.000 0.466 419 G N 1.511 110.311 108.800 0.000 0.000 2.433 419 G HA2 -0.254 3.707 3.960 0.000 0.000 0.216 419 G HA3 -0.254 3.707 3.960 0.000 0.000 0.216 419 G C 1.535 176.460 174.900 0.041 0.000 1.186 419 G CA 0.782 45.884 45.100 0.003 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.536 121.098 120.500 0.103 0.000 2.091 420 R HA -0.098 4.242 4.340 0.000 0.000 0.238 420 R C 2.411 178.744 176.300 0.056 0.000 1.136 420 R CA 1.928 58.096 56.100 0.114 0.000 0.959 420 R CB -0.359 30.059 30.300 0.197 0.000 0.856 420 R HN 0.537 nan 8.270 nan 0.000 0.437 421 E N -0.413 119.813 120.200 0.042 0.000 2.072 421 E HA -0.132 4.218 4.350 0.000 0.000 0.191 421 E C 1.814 178.419 176.600 0.008 0.000 0.985 421 E CA 1.411 57.821 56.400 0.016 0.000 0.801 421 E CB 0.221 29.925 29.700 0.007 0.000 0.750 421 E HN 0.248 nan 8.360 nan 0.000 0.452 422 V N 0.723 120.642 119.914 0.007 0.000 2.346 422 V HA -0.201 3.919 4.120 0.000 0.000 0.244 422 V C 2.703 178.799 176.094 0.004 0.000 1.037 422 V CA 2.040 64.341 62.300 0.000 0.000 1.029 422 V CB -0.848 30.972 31.823 -0.005 0.000 0.663 422 V HN 0.517 nan 8.190 nan 0.000 0.454 423 T N -2.084 112.476 114.554 0.010 0.000 2.857 423 T HA 0.150 4.500 4.350 0.000 0.000 0.266 423 T C 1.725 176.433 174.700 0.012 0.000 1.048 423 T CA 1.534 63.640 62.100 0.011 0.000 1.139 423 T CB 0.088 68.964 68.868 0.014 0.000 0.874 423 T HN 1.085 nan 8.240 nan 0.000 0.455 424 G N 1.242 110.052 108.800 0.017 0.000 2.176 424 G HA2 -0.160 3.800 3.960 0.000 0.000 0.232 424 G HA3 -0.160 3.800 3.960 0.000 0.000 0.232 424 G C 0.002 174.914 174.900 0.021 0.000 0.986 424 G CA 0.032 45.141 45.100 0.015 0.000 0.643 424 G HN 0.679 nan 8.290 nan 0.000 0.522 425 I N 1.404 121.993 120.570 0.030 0.000 2.378 425 I HA 0.654 4.824 4.170 0.000 0.000 0.291 425 I C 0.611 176.768 176.117 0.066 0.000 0.992 425 I CA -0.745 60.578 61.300 0.038 0.000 1.154 425 I CB 2.011 40.029 38.000 0.030 0.000 1.315 425 I HN 0.229 nan 8.210 nan 0.000 0.448 426 A N 3.945 126.813 122.820 0.079 0.000 2.362 426 A HA 0.468 4.789 4.320 0.000 0.000 0.276 426 A C 0.342 178.024 177.584 0.164 0.000 1.153 426 A CA -0.130 51.995 52.037 0.147 0.000 0.813 426 A CB 0.628 19.686 19.000 0.098 0.000 1.081 426 A HN 0.646 nan 8.150 nan 0.000 0.507 427 S N 2.108 117.941 115.700 0.221 0.000 2.474 427 S HA 0.445 4.915 4.470 0.000 0.000 0.224 427 S C -0.199 174.440 174.600 0.065 0.000 1.209 427 S CA -0.373 57.892 58.200 0.107 0.000 1.212 427 S CB -0.637 62.572 63.200 0.015 0.000 1.137 427 S HN 0.578 nan 8.310 nan 0.000 0.446 428 F N 1.429 121.376 119.950 -0.005 0.000 2.315 428 F HA 0.476 5.003 4.527 0.000 0.000 0.284 428 F C 1.324 177.122 175.800 -0.002 0.000 1.049 428 F CA 0.117 58.114 58.000 -0.005 0.000 1.323 428 F CB -0.236 38.761 39.000 -0.005 0.000 1.113 428 F HN 0.105 nan 8.300 nan 0.000 0.544 429 K N 1.717 122.242 120.400 0.207 0.000 2.336 429 K HA 0.091 4.411 4.320 0.000 0.000 0.262 429 K C -1.928 174.711 176.600 0.065 0.000 0.992 429 K CA -1.075 55.277 56.287 0.108 0.000 0.927 429 K CB -0.351 32.196 32.500 0.079 0.000 0.956 429 K HN -0.038 nan 8.250 nan 0.000 0.495 430 P HA 0.136 nan 4.420 nan 0.000 0.289 430 P C -0.398 176.917 177.300 0.025 0.000 1.299 430 P CA -0.386 62.730 63.100 0.028 0.000 0.766 430 P CB 0.719 32.433 31.700 0.023 0.000 1.226 431 A N -0.518 122.314 122.820 0.019 0.000 2.099 431 A HA 0.053 4.373 4.320 0.000 0.000 0.206 431 A C 1.783 179.376 177.584 0.016 0.000 1.464 431 A CA 2.544 54.590 52.037 0.017 0.000 0.603 431 A CB -1.723 17.285 19.000 0.013 0.000 1.056 431 A HN 0.686 nan 8.150 nan 0.000 0.492 432 T N -3.126 111.436 114.554 0.013 0.000 12.320 432 T HA -0.328 4.023 4.350 0.000 0.000 0.419 432 T C 0.702 175.408 174.700 0.011 0.000 1.443 432 T CA 4.391 66.498 62.100 0.012 0.000 2.389 432 T CB -1.412 67.463 68.868 0.012 0.000 2.854 432 T HN 2.345 nan 8.240 nan 0.000 0.830 433 R N 0.000 120.507 120.500 0.012 0.000 2.786 433 R HA 0.000 4.340 4.340 0.000 0.000 0.208 433 R CA 0.000 nan 56.100 nan 0.000 0.921 433 R CB 0.000 nan 30.300 nan 0.000 0.687 433 R HN 0.000 nan 8.270 nan 0.000 0.535