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_C 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 -0.311 0.000 0.988 17 K CA 0.000 56.055 56.287 -0.386 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 18 S N -0.488 115.085 115.700 -0.211 0.000 2.587 18 S HA 0.295 4.765 4.470 -0.000 0.000 0.269 18 S C 0.257 174.703 174.600 -0.256 0.000 1.154 18 S CA -0.060 57.941 58.200 -0.332 0.000 0.824 18 S CB 1.459 64.288 63.200 -0.620 0.000 1.118 18 S HN 0.952 nan 8.310 nan 0.000 0.462 19 S N 1.208 116.702 115.700 -0.344 0.000 2.474 19 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 19 S C 1.103 175.682 174.600 -0.036 0.000 0.997 19 S CA 1.410 59.525 58.200 -0.142 0.000 0.949 19 S CB -0.715 62.444 63.200 -0.068 0.000 0.766 19 S HN 0.970 nan 8.310 nan 0.000 0.517 20 Y N -2.286 118.072 120.300 0.097 0.000 2.500 20 Y HA 0.554 5.103 4.550 -0.001 0.000 0.246 20 Y C 1.340 177.315 175.900 0.125 0.000 1.146 20 Y CA -1.748 56.404 58.100 0.088 0.000 1.230 20 Y CB -0.722 37.779 38.460 0.067 0.000 1.214 20 Y HN 0.151 nan 8.280 nan 0.000 0.526 21 F N 2.239 122.192 119.950 0.006 0.000 2.206 21 F HA -0.044 4.483 4.527 0.001 0.000 0.298 21 F C 1.446 177.274 175.800 0.047 0.000 1.090 21 F CA 1.561 59.587 58.000 0.042 0.000 1.323 21 F CB 0.014 38.990 39.000 -0.040 0.000 1.028 21 F HN 0.035 nan 8.300 nan 0.000 0.492 22 D N 0.428 120.835 120.400 0.012 0.000 2.289 22 D HA 0.029 4.668 4.640 -0.000 0.000 0.207 22 D C 0.808 177.072 176.300 -0.061 0.000 0.966 22 D CA 0.287 54.244 54.000 -0.071 0.000 0.868 22 D CB -0.074 40.734 40.800 0.014 0.000 0.943 22 D HN 0.189 nan 8.370 nan 0.000 0.514 23 L N 2.298 123.520 121.223 -0.002 0.000 2.525 23 L HA 0.038 4.378 4.340 -0.000 0.000 0.278 23 L C -1.780 175.077 176.870 -0.021 0.000 1.218 23 L CA -1.116 53.730 54.840 0.011 0.000 0.878 23 L CB -0.086 42.009 42.059 0.060 0.000 1.127 23 L HN -0.171 nan 8.230 nan 0.000 0.492 24 P HA 0.117 nan 4.420 nan 0.000 0.267 24 P C -2.318 174.972 177.300 -0.016 0.000 1.200 24 P CA -0.819 62.266 63.100 -0.025 0.000 0.772 24 P CB -0.258 31.433 31.700 -0.015 0.000 0.855 25 P HA 0.026 nan 4.420 nan 0.000 0.266 25 P C -0.076 177.227 177.300 0.006 0.000 1.186 25 P CA 0.169 63.265 63.100 -0.006 0.000 0.767 25 P CB 0.269 31.966 31.700 -0.005 0.000 0.820 26 M N 2.507 122.116 119.600 0.016 0.000 2.239 26 M HA 0.019 4.499 4.480 -0.000 0.000 0.348 26 M C 0.466 176.783 176.300 0.029 0.000 1.239 26 M CA 0.079 55.393 55.300 0.022 0.000 1.114 26 M CB 0.321 32.939 32.600 0.029 0.000 1.641 26 M HN 0.303 nan 8.290 nan 0.000 0.453 27 E N 4.262 124.477 120.200 0.025 0.000 2.413 27 E HA -0.062 4.288 4.350 -0.000 0.000 0.263 27 E C 0.748 177.375 176.600 0.045 0.000 1.015 27 E CA 0.043 56.458 56.400 0.025 0.000 0.916 27 E CB 0.674 30.385 29.700 0.018 0.000 0.947 27 E HN 0.781 nan 8.360 nan 0.000 0.440 28 M N 1.565 121.191 119.600 0.043 0.000 2.358 28 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 28 M C 2.091 178.449 176.300 0.097 0.000 1.064 28 M CA 1.110 56.457 55.300 0.078 0.000 1.093 28 M CB -0.873 31.738 32.600 0.019 0.000 1.401 28 M HN 0.407 nan 8.290 nan 0.000 0.440 29 S N -0.311 115.422 115.700 0.056 0.000 2.402 29 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 29 S C 1.761 176.384 174.600 0.038 0.000 1.021 29 S CA 1.081 59.307 58.200 0.044 0.000 0.974 29 S CB 0.163 63.377 63.200 0.023 0.000 0.800 29 S HN 0.311 nan 8.310 nan 0.000 0.484 30 V N 1.025 120.964 119.914 0.041 0.000 2.795 30 V HA 0.280 4.400 4.120 -0.000 0.000 0.243 30 V C 2.696 178.817 176.094 0.045 0.000 1.069 30 V CA 0.991 63.307 62.300 0.027 0.000 1.089 30 V CB -0.868 30.966 31.823 0.018 0.000 0.756 30 V HN 0.493 nan 8.190 nan 0.000 0.471 31 A N -0.915 121.957 122.820 0.086 0.000 1.930 31 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 31 A C 1.094 178.815 177.584 0.229 0.000 1.175 31 A CA 1.472 53.588 52.037 0.130 0.000 0.627 31 A CB -0.207 18.875 19.000 0.138 0.000 0.815 31 A HN 0.489 nan 8.150 nan 0.000 0.443 32 F N -1.047 118.942 119.950 0.066 0.000 3.228 32 F HA 0.412 4.938 4.527 -0.001 0.000 0.390 32 F C -2.570 173.273 175.800 0.071 0.000 1.235 32 F CA -1.698 56.349 58.000 0.080 0.000 1.236 32 F CB 1.653 40.746 39.000 0.156 0.000 1.855 32 F HN -0.044 nan 8.300 nan 0.000 0.647 33 P HA -0.077 nan 4.420 nan 0.000 0.222 33 P C 1.264 178.493 177.300 -0.118 0.000 1.153 33 P CA 1.046 64.100 63.100 -0.077 0.000 0.798 33 P CB 0.238 31.873 31.700 -0.109 0.000 0.796 34 Q N -0.614 118.980 119.800 -0.342 0.000 2.226 34 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 34 Q C 0.669 176.614 176.000 -0.093 0.000 0.975 34 Q CA 0.844 56.476 55.803 -0.285 0.000 0.866 34 Q CB -0.183 28.264 28.738 -0.485 0.000 0.915 34 Q HN 0.188 nan 8.270 nan 0.000 0.440 35 A N 0.138 123.044 122.820 0.143 0.000 2.380 35 A HA 0.517 4.837 4.320 -0.000 0.000 0.315 35 A C -0.671 177.103 177.584 0.317 0.000 1.101 35 A CA -0.583 51.584 52.037 0.217 0.000 0.771 35 A CB 1.650 20.772 19.000 0.204 0.000 1.287 35 A HN -0.043 nan 8.150 nan 0.000 0.436 36 T N 4.479 119.166 114.554 0.221 0.000 2.771 36 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 36 T C -2.239 172.521 174.700 0.101 0.000 0.954 36 T CA -0.735 61.445 62.100 0.133 0.000 1.045 36 T CB 0.919 69.825 68.868 0.064 0.000 0.917 36 T HN 0.579 nan 8.240 nan 0.000 0.484 37 P HA 0.219 nan 4.420 nan 0.000 0.275 37 P C 0.464 177.618 177.300 -0.243 0.000 1.270 37 P CA -0.412 62.386 63.100 -0.503 0.000 0.791 37 P CB 0.601 31.992 31.700 -0.514 0.000 1.089 38 A N 0.186 122.850 122.820 -0.261 0.000 2.168 38 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 38 A C 2.233 179.831 177.584 0.024 0.000 1.152 38 A CA 1.212 53.184 52.037 -0.108 0.000 0.716 38 A CB -1.498 17.464 19.000 -0.063 0.000 0.794 38 A HN 0.515 nan 8.150 nan 0.000 0.465 39 S N 0.138 115.819 115.700 -0.032 0.000 2.372 39 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 39 S C 0.971 175.609 174.600 0.064 0.000 1.044 39 S CA 1.680 59.890 58.200 0.017 0.000 1.050 39 S CB -0.461 62.726 63.200 -0.021 0.000 0.901 39 S HN 0.639 nan 8.310 nan 0.000 0.447 40 T N 2.614 117.195 114.554 0.045 0.000 2.811 40 T HA 0.390 4.740 4.350 -0.000 0.000 0.309 40 T C -0.446 174.318 174.700 0.107 0.000 1.005 40 T CA -0.390 61.757 62.100 0.078 0.000 0.955 40 T CB -0.120 68.776 68.868 0.047 0.000 0.970 40 T HN 0.129 nan 8.240 nan 0.000 0.496 41 F N 5.096 125.057 119.950 0.018 0.000 2.529 41 F HA 0.293 4.820 4.527 0.000 0.000 0.365 41 F C -1.753 174.077 175.800 0.050 0.000 1.102 41 F CA -1.864 56.154 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 0.357 nan 8.300 nan 0.000 0.579 42 P HA 0.055 nan 4.420 nan 0.000 0.268 42 P C -2.494 174.861 177.300 0.093 0.000 1.208 42 P CA -0.658 62.371 63.100 -0.118 0.000 0.777 42 P CB -0.176 31.367 31.700 -0.262 0.000 0.875 43 P HA -0.002 nan 4.420 nan 0.000 0.274 43 P C -0.406 176.983 177.300 0.148 0.000 1.237 43 P CA -0.294 62.889 63.100 0.138 0.000 0.793 43 P CB 0.563 32.331 31.700 0.112 0.000 0.977 44 C N 3.030 122.419 119.300 0.148 0.000 2.305 44 C HA 0.191 4.651 4.460 -0.000 0.000 0.378 44 C C 1.742 176.795 174.990 0.105 0.000 1.047 44 C CA 0.442 59.548 59.018 0.148 0.000 1.385 44 C CB -2.421 25.404 27.740 0.141 0.000 1.825 44 C HN 0.663 nan 8.230 nan 0.000 0.508 45 T N -0.348 114.268 114.554 0.104 0.000 3.069 45 T HA 0.011 4.361 4.350 -0.000 0.000 0.252 45 T C 1.482 176.225 174.700 0.072 0.000 1.053 45 T CA 0.674 62.788 62.100 0.024 0.000 0.964 45 T CB -0.117 68.619 68.868 -0.221 0.000 1.005 45 T HN 0.737 nan 8.240 nan 0.000 0.532 46 S N 0.696 116.461 115.700 0.109 0.000 2.470 46 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 46 S C 0.943 175.482 174.600 -0.101 0.000 1.006 46 S CA -0.009 58.132 58.200 -0.098 0.000 0.934 46 S CB -0.423 62.821 63.200 0.074 0.000 0.778 46 S HN 0.472 nan 8.310 nan 0.000 0.517 47 D N 0.711 121.096 120.400 -0.025 0.000 2.545 47 D HA 0.050 4.690 4.640 -0.000 0.000 0.227 47 D C -0.132 176.061 176.300 -0.179 0.000 1.150 47 D CA -0.230 53.693 54.000 -0.130 0.000 1.046 47 D CB -0.026 40.740 40.800 -0.056 0.000 1.098 47 D HN 0.402 nan 8.370 nan 0.000 0.502 48 Y N 2.472 122.537 120.300 -0.392 0.000 2.476 48 Y HA -0.031 4.519 4.550 0.000 0.000 0.283 48 Y C 0.604 176.423 175.900 -0.134 0.000 1.109 48 Y CA 0.649 58.596 58.100 -0.254 0.000 1.246 48 Y CB 0.189 38.489 38.460 -0.266 0.000 1.068 48 Y HN 0.280 nan 8.280 nan 0.000 0.552 49 Y N 0.580 120.448 120.300 -0.719 0.000 2.583 49 Y HA 0.203 4.753 4.550 0.000 0.000 0.294 49 Y C 0.119 175.583 175.900 -0.727 0.000 1.170 49 Y CA -0.367 57.300 58.100 -0.721 0.000 1.265 49 Y CB -1.620 36.501 38.460 -0.565 0.000 1.119 49 Y HN 0.221 nan 8.280 nan 0.000 0.522 50 H N -0.878 117.814 119.070 -0.630 0.000 2.631 50 H HA -0.253 4.303 4.556 -0.000 0.000 0.322 50 H C 0.206 175.325 175.328 -0.348 0.000 1.035 50 H CA -0.118 55.681 56.048 -0.416 0.000 1.070 50 H CB -1.578 28.025 29.762 -0.264 0.000 1.622 50 H HN 0.402 nan 8.280 nan 0.000 0.373 51 F N 1.126 120.848 119.950 -0.381 0.000 2.661 51 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 51 F C 1.999 177.601 175.800 -0.330 0.000 1.137 51 F CA 0.297 58.030 58.000 -0.444 0.000 1.454 51 F CB -0.019 38.458 39.000 -0.872 0.000 1.103 51 F HN 0.388 nan 8.300 nan 0.000 0.577 52 N N 0.423 118.953 118.700 -0.285 0.000 2.443 52 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 52 N C 1.124 176.549 175.510 -0.142 0.000 1.037 52 N CA 0.986 53.913 53.050 -0.206 0.000 0.896 52 N CB -0.382 37.934 38.487 -0.285 0.000 0.959 52 N HN 0.230 nan 8.380 nan 0.000 0.442 53 D N -0.178 120.114 120.400 -0.179 0.000 2.224 53 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 53 D C 1.521 177.803 176.300 -0.031 0.000 0.965 53 D CA 0.580 54.540 54.000 -0.068 0.000 0.852 53 D CB 0.062 40.833 40.800 -0.048 0.000 0.947 53 D HN 0.340 nan 8.370 nan 0.000 0.494 54 L N -0.004 121.184 121.223 -0.058 0.000 2.558 54 L HA 0.143 4.483 4.340 -0.000 0.000 0.225 54 L C 0.668 177.642 176.870 0.173 0.000 1.128 54 L CA 0.126 54.911 54.840 -0.091 0.000 0.868 54 L CB 0.027 41.736 42.059 -0.585 0.000 1.006 54 L HN -0.151 nan 8.230 nan 0.000 0.454 55 L N -0.681 120.626 121.223 0.141 0.000 2.334 55 L HA 0.401 4.741 4.340 -0.000 0.000 0.272 55 L C 0.665 177.603 176.870 0.113 0.000 1.020 55 L CA -0.652 54.288 54.840 0.166 0.000 0.812 55 L CB 1.710 43.858 42.059 0.150 0.000 1.264 55 L HN -0.007 nan 8.230 nan 0.000 0.439 56 T N -2.157 112.459 114.554 0.103 0.000 2.882 56 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 56 T C -1.958 172.774 174.700 0.052 0.000 1.014 56 T CA -1.629 60.514 62.100 0.072 0.000 1.049 56 T CB 1.251 70.155 68.868 0.061 0.000 1.001 56 T HN 0.329 nan 8.240 nan 0.000 0.525 57 P HA -0.138 nan 4.420 nan 0.000 0.216 57 P C 1.420 178.739 177.300 0.030 0.000 1.154 57 P CA 1.187 64.307 63.100 0.033 0.000 0.865 57 P CB 0.100 31.817 31.700 0.029 0.000 0.789 58 E N -0.295 119.922 120.200 0.028 0.000 2.107 58 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 58 E C 1.842 178.456 176.600 0.022 0.000 0.982 58 E CA 0.890 57.303 56.400 0.022 0.000 0.809 58 E CB -0.140 29.571 29.700 0.017 0.000 0.756 58 E HN 0.280 nan 8.360 nan 0.000 0.459 59 E N 0.349 120.566 120.200 0.029 0.000 2.077 59 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 59 E C 2.230 178.854 176.600 0.039 0.000 0.989 59 E CA 1.124 57.541 56.400 0.029 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 0.068 119.895 119.800 0.046 0.000 2.096 60 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 60 Q C 2.227 178.250 176.000 0.039 0.000 0.982 60 Q CA 1.407 57.238 55.803 0.046 0.000 0.850 60 Q CB -0.167 28.593 28.738 0.037 0.000 0.901 60 Q HN 0.256 nan 8.270 nan 0.000 0.422 61 A N 0.594 123.433 122.820 0.031 0.000 1.930 61 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 61 A C 1.994 179.593 177.584 0.024 0.000 1.175 61 A CA 1.056 53.109 52.037 0.027 0.000 0.627 61 A CB -0.495 18.518 19.000 0.022 0.000 0.815 61 A HN 0.298 nan 8.150 nan 0.000 0.443 62 I N -1.149 119.433 120.570 0.020 0.000 2.252 62 I HA -0.209 3.961 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 1.375 62.683 61.300 0.014 0.000 1.385 62 I CB -0.328 37.673 38.000 0.001 0.000 1.064 62 I HN 0.336 nan 8.210 nan 0.000 0.414 63 R N 1.512 122.031 120.500 0.032 0.000 2.094 63 R HA -0.260 4.080 4.340 -0.000 0.000 0.239 63 R C 2.391 178.721 176.300 0.050 0.000 1.137 63 R CA 2.047 58.178 56.100 0.052 0.000 0.943 63 R CB -0.231 30.117 30.300 0.081 0.000 0.850 63 R HN 0.230 nan 8.270 nan 0.000 0.433 64 K N 0.687 121.115 120.400 0.045 0.000 2.057 64 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 64 K C 2.188 178.806 176.600 0.030 0.000 1.049 64 K CA 1.660 57.971 56.287 0.042 0.000 0.931 64 K CB -0.117 32.406 32.500 0.039 0.000 0.714 64 K HN 0.071 nan 8.250 nan 0.000 0.440 65 K N 0.573 120.988 120.400 0.024 0.000 2.032 65 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 65 K C 1.955 178.561 176.600 0.010 0.000 1.048 65 K CA 1.651 57.948 56.287 0.017 0.000 0.927 65 K CB -0.049 32.460 32.500 0.015 0.000 0.712 65 K HN 0.036 nan 8.250 nan 0.000 0.441 66 V N 1.500 121.420 119.914 0.010 0.000 2.295 66 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 66 V C 2.641 178.729 176.094 -0.011 0.000 1.049 66 V CA 2.018 64.320 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 0.120 120.620 120.500 0.001 0.000 2.096 67 R HA -0.246 4.094 4.340 -0.000 0.000 0.240 67 R C 2.319 178.599 176.300 -0.033 0.000 1.139 67 R CA 2.356 58.448 56.100 -0.014 0.000 0.952 67 R CB -0.255 30.062 30.300 0.028 0.000 0.854 67 R HN 0.641 nan 8.270 nan 0.000 0.436 68 E N -0.531 119.665 120.200 -0.006 0.000 2.072 68 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 68 E C 1.973 178.561 176.600 -0.020 0.000 0.985 68 E CA 1.174 57.571 56.400 -0.004 0.000 0.801 68 E CB -0.177 29.530 29.700 0.012 0.000 0.750 68 E HN 0.369 nan 8.360 nan 0.000 0.452 69 C N 0.610 119.897 119.300 -0.022 0.000 2.491 69 C HA 0.030 4.490 4.460 -0.000 0.000 0.277 69 C C 2.066 177.024 174.990 -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 -0.016 0.000 1.745 69 C HN 0.395 nan 8.230 nan 0.000 0.558 70 M N -0.677 118.876 119.600 -0.078 0.000 2.691 70 M HA 0.091 4.571 4.480 -0.000 0.000 0.261 70 M C 1.963 178.163 176.300 -0.166 0.000 1.227 70 M CA 1.069 56.293 55.300 -0.126 0.000 1.197 70 M CB -1.116 31.392 32.600 -0.154 0.000 1.294 70 M HN 0.366 nan 8.290 nan 0.000 0.508 71 E N 0.242 120.342 120.200 -0.167 0.000 2.338 71 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 71 E C 1.834 178.413 176.600 -0.034 0.000 1.007 71 E CA 0.908 57.229 56.400 -0.131 0.000 0.849 71 E CB 0.164 29.828 29.700 -0.059 0.000 0.774 71 E HN 0.306 nan 8.360 nan 0.000 0.506 72 K N 0.717 121.096 120.400 -0.034 0.000 2.121 72 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 72 K C 1.800 178.388 176.600 -0.020 0.000 1.041 72 K CA 0.890 57.170 56.287 -0.011 0.000 0.969 72 K CB 0.452 32.948 32.500 -0.006 0.000 0.799 72 K HN -0.142 nan 8.250 nan 0.000 0.456 73 E N -0.248 119.925 120.200 -0.045 0.000 2.307 73 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 73 E C 1.799 178.343 176.600 -0.093 0.000 0.975 73 E CA 0.590 56.954 56.400 -0.061 0.000 0.878 73 E CB 0.788 30.444 29.700 -0.073 0.000 0.845 73 E HN 0.138 nan 8.360 nan 0.000 0.488 74 V N 0.970 120.824 119.914 -0.100 0.000 2.690 74 V HA 0.088 4.208 4.120 -0.000 0.000 0.240 74 V C 2.325 178.383 176.094 -0.061 0.000 1.078 74 V CA 1.120 63.351 62.300 -0.116 0.000 1.102 74 V CB -0.334 31.407 31.823 -0.136 0.000 0.800 74 V HN 0.144 nan 8.190 nan 0.000 0.479 75 A N 1.245 124.031 122.820 -0.057 0.000 1.927 75 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 75 A C 0.415 178.031 177.584 0.054 0.000 1.185 75 A CA 2.632 54.676 52.037 0.012 0.000 0.639 75 A CB -1.951 17.068 19.000 0.033 0.000 0.820 75 A HN 0.555 nan 8.150 nan 0.000 0.451 76 P HA -0.093 nan 4.420 nan 0.000 0.215 76 P C 1.375 178.715 177.300 0.066 0.000 1.157 76 P CA 1.361 64.490 63.100 0.049 0.000 0.859 76 P CB -0.241 31.487 31.700 0.045 0.000 0.786 77 I N -3.263 117.356 120.570 0.081 0.000 3.059 77 I HA -0.033 4.137 4.170 -0.000 0.000 0.270 77 I C 2.228 178.472 176.117 0.211 0.000 1.238 77 I CA 0.893 62.294 61.300 0.169 0.000 1.478 77 I CB -1.593 36.538 38.000 0.217 0.000 1.097 77 I HN -0.160 nan 8.210 nan 0.000 0.455 78 M N 0.228 119.895 119.600 0.111 0.000 2.149 78 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 78 M C 2.004 178.410 176.300 0.177 0.000 1.064 78 M CA 2.293 57.666 55.300 0.120 0.000 1.102 78 M CB -1.857 30.773 32.600 0.051 0.000 1.369 78 M HN 0.185 nan 8.290 nan 0.000 0.408 79 T N 0.607 115.231 114.554 0.117 0.000 2.684 79 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 79 T C 1.752 176.543 174.700 0.153 0.000 1.036 79 T CA 2.032 64.192 62.100 0.101 0.000 1.148 79 T CB -0.362 68.524 68.868 0.029 0.000 0.863 79 T HN 0.606 nan 8.240 nan 0.000 0.436 80 E N -0.125 120.144 120.200 0.116 0.000 2.028 80 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 80 E C 1.851 178.459 176.600 0.012 0.000 0.988 80 E CA 1.077 57.493 56.400 0.026 0.000 0.799 80 E CB -0.182 29.479 29.700 -0.066 0.000 0.755 80 E HN 0.623 nan 8.360 nan 0.000 0.447 81 Y N -1.383 118.971 120.300 0.090 0.000 2.439 81 Y HA -0.139 4.411 4.550 0.000 0.000 0.292 81 Y C 1.845 177.812 175.900 0.112 0.000 1.130 81 Y CA 0.936 59.076 58.100 0.067 0.000 1.254 81 Y CB -0.172 38.288 38.460 -0.000 0.000 1.000 81 Y HN 0.295 nan 8.280 nan 0.000 0.554 82 W N 1.203 122.576 121.300 0.122 0.000 2.409 82 W HA -0.133 4.527 4.660 -0.001 0.000 0.299 82 W C 2.443 179.002 176.519 0.067 0.000 1.203 82 W CA 1.952 59.350 57.345 0.089 0.000 1.298 82 W CB -0.138 29.369 29.460 0.078 0.000 1.127 82 W HN 0.084 nan 8.180 nan 0.000 0.528 83 E N 0.755 121.125 120.200 0.283 0.000 2.077 83 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 83 E C 1.886 178.479 176.600 -0.011 0.000 0.989 83 E CA 1.781 58.260 56.400 0.132 0.000 0.800 83 E CB -0.339 29.449 29.700 0.146 0.000 0.746 83 E HN -0.049 nan 8.360 nan 0.000 0.452 84 K N -0.181 120.213 120.400 -0.009 0.000 2.439 84 K HA 0.116 4.436 4.320 -0.000 0.000 0.197 84 K C 0.791 177.373 176.600 -0.030 0.000 1.041 84 K CA 0.721 56.989 56.287 -0.032 0.000 0.970 84 K CB -0.019 32.444 32.500 -0.061 0.000 0.773 84 K HN 0.280 nan 8.250 nan 0.000 0.479 85 A N 1.656 124.436 122.820 -0.068 0.000 2.826 85 A HA -0.240 4.080 4.320 -0.000 0.000 0.274 85 A C -0.216 177.390 177.584 0.036 0.000 1.443 85 A CA 1.210 53.195 52.037 -0.086 0.000 0.833 85 A CB -1.949 16.979 19.000 -0.121 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 2.204 86 E HA 0.589 4.939 4.350 -0.000 0.000 0.276 86 E C -0.370 176.372 176.600 0.236 0.000 0.974 86 E CA -0.876 55.654 56.400 0.218 0.000 0.815 86 E CB 0.994 30.852 29.700 0.264 0.000 1.119 86 E HN 0.444 nan 8.360 nan 0.000 0.393 87 F N 4.470 124.381 119.950 -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 -2.339 55.383 58.000 -0.464 0.000 1.191 87 F CB 0.901 39.326 39.000 -0.958 0.000 1.128 87 F HN 0.207 nan 8.300 nan 0.000 0.533 88 P HA 0.101 nan 4.420 nan 0.000 0.247 88 P C 0.230 176.945 177.300 -0.975 0.000 1.756 88 P CA 0.175 62.513 63.100 -1.270 0.000 1.117 88 P CB -0.339 30.491 31.700 -1.449 0.000 1.869 89 F N 1.389 121.155 119.950 -0.306 0.000 2.216 89 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 89 F C 2.598 178.342 175.800 -0.092 0.000 1.085 89 F CA 1.343 59.290 58.000 -0.088 0.000 1.326 89 F CB -0.810 38.188 39.000 -0.003 0.000 1.027 89 F HN 0.439 nan 8.300 nan 0.000 0.497 90 H N -1.164 117.891 119.070 -0.024 0.000 2.563 90 H HA 0.023 4.579 4.556 -0.000 0.000 0.272 90 H C 1.646 176.919 175.328 -0.093 0.000 1.005 90 H CA 0.836 56.864 56.048 -0.033 0.000 1.171 90 H CB -0.560 29.191 29.762 -0.019 0.000 1.351 90 H HN 0.296 nan 8.280 nan 0.000 0.602 91 I N 1.192 121.448 120.570 -0.523 0.000 3.462 91 I HA -0.086 4.084 4.170 -0.000 0.000 0.290 91 I C 2.094 178.081 176.117 -0.217 0.000 1.236 91 I CA 0.454 61.488 61.300 -0.444 0.000 1.418 91 I CB -0.028 37.607 38.000 -0.609 0.000 1.102 91 I HN 0.108 nan 8.210 nan 0.000 0.441 92 T N 2.430 116.898 114.554 -0.143 0.000 2.592 92 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 92 T C -0.408 174.326 174.700 0.057 0.000 1.060 92 T CA 2.158 64.275 62.100 0.029 0.000 1.167 92 T CB -1.564 67.391 68.868 0.145 0.000 0.863 92 T HN 0.268 nan 8.240 nan 0.000 0.431 93 P HA -0.063 nan 4.420 nan 0.000 0.220 93 P C 1.189 178.505 177.300 0.027 0.000 1.148 93 P CA 1.172 64.301 63.100 0.048 0.000 0.803 93 P CB -0.051 31.678 31.700 0.048 0.000 0.782 94 K N -0.131 120.266 120.400 -0.004 0.000 2.148 94 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 94 K C 2.310 178.908 176.600 -0.003 0.000 1.050 94 K CA 0.844 57.122 56.287 -0.015 0.000 0.942 94 K CB -0.795 31.673 32.500 -0.053 0.000 0.724 94 K HN 0.299 nan 8.250 nan 0.000 0.446 95 L N 0.169 121.397 121.223 0.009 0.000 2.109 95 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 95 L C 2.442 179.343 176.870 0.052 0.000 1.086 95 L CA 1.238 56.103 54.840 0.041 0.000 0.760 95 L CB -0.737 41.381 42.059 0.098 0.000 0.910 95 L HN 0.227 nan 8.230 nan 0.000 0.437 96 G N -0.638 108.197 108.800 0.059 0.000 2.598 96 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 96 G HA3 -0.070 3.890 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 0.673 45.806 45.100 0.055 0.000 0.785 96 G HN 0.434 nan 8.290 nan 0.000 0.539 97 A N 0.373 123.213 122.820 0.034 0.000 2.072 97 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 97 A C 2.286 179.883 177.584 0.022 0.000 1.156 97 A CA 0.639 52.693 52.037 0.027 0.000 0.701 97 A CB -0.185 18.827 19.000 0.021 0.000 0.816 97 A HN 0.366 nan 8.150 nan 0.000 0.458 98 M N -1.006 118.606 119.600 0.022 0.000 2.319 98 M HA 0.081 4.561 4.480 -0.000 0.000 0.265 98 M C 1.320 177.632 176.300 0.019 0.000 1.068 98 M CA 1.064 56.374 55.300 0.017 0.000 1.118 98 M CB -0.240 32.369 32.600 0.015 0.000 1.395 98 M HN 0.618 nan 8.290 nan 0.000 0.435 99 G N 0.809 109.625 108.800 0.026 0.000 2.341 99 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.278 99 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.278 99 G C 0.182 175.095 174.900 0.021 0.000 1.111 99 G CA 0.069 45.185 45.100 0.026 0.000 0.982 99 G HN 0.310 nan 8.290 nan 0.000 0.502 100 V N -0.559 119.370 119.914 0.025 0.000 3.359 100 V HA 0.532 4.652 4.120 -0.000 0.000 0.245 100 V C 1.922 178.030 176.094 0.024 0.000 1.247 100 V CA 1.100 63.410 62.300 0.016 0.000 1.145 100 V CB 0.039 31.870 31.823 0.014 0.000 0.906 100 V HN 1.438 nan 8.190 nan 0.000 0.464 101 A N 0.756 123.603 122.820 0.046 0.000 2.524 101 A HA 0.480 4.800 4.320 -0.000 0.000 0.250 101 A C 1.528 179.157 177.584 0.076 0.000 1.078 101 A CA 1.117 53.204 52.037 0.083 0.000 0.761 101 A CB -0.546 18.521 19.000 0.112 0.000 1.012 101 A HN 1.279 nan 8.150 nan 0.000 0.500 102 G N 1.821 110.655 108.800 0.056 0.000 2.956 102 G HA2 0.055 4.015 3.960 -0.000 0.000 0.210 102 G HA3 0.055 4.015 3.960 -0.000 0.000 0.210 102 G C 1.868 176.772 174.900 0.005 0.000 1.316 102 G CA 1.057 46.175 45.100 0.029 0.000 0.819 102 G HN 2.676 nan 8.290 nan 0.000 0.544 103 G N 0.222 109.025 108.800 0.005 0.000 3.284 103 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.351 103 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.351 103 G C 1.695 176.585 174.900 -0.017 0.000 1.232 103 G CA 2.654 47.743 45.100 -0.018 0.000 1.001 103 G HN 1.815 nan 8.290 nan 0.000 0.639 104 S N 0.914 116.596 115.700 -0.029 0.000 2.428 104 S HA 0.190 4.660 4.470 -0.000 0.000 0.230 104 S C 1.348 175.958 174.600 0.016 0.000 1.014 104 S CA 0.776 58.968 58.200 -0.013 0.000 0.957 104 S CB -0.138 63.044 63.200 -0.030 0.000 0.784 104 S HN 0.503 nan 8.310 nan 0.000 0.499 105 I N 2.693 123.277 120.570 0.023 0.000 2.668 105 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 105 I C 0.391 176.557 176.117 0.082 0.000 1.168 105 I CA 0.195 61.533 61.300 0.064 0.000 1.424 105 I CB 0.317 38.360 38.000 0.071 0.000 1.377 105 I HN -0.106 nan 8.210 nan 0.000 0.560 106 K N 5.458 125.915 120.400 0.095 0.000 2.183 106 K HA 0.536 4.856 4.320 -0.000 0.000 0.274 106 K C 0.450 177.069 176.600 0.032 0.000 1.009 106 K CA 0.067 56.385 56.287 0.052 0.000 0.888 106 K CB 1.516 34.030 32.500 0.023 0.000 1.078 106 K HN 0.921 nan 8.250 nan 0.000 0.459 107 G N 1.935 110.707 108.800 -0.046 0.000 2.642 107 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.231 107 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.231 107 G C -0.512 174.350 174.900 -0.064 0.000 1.338 107 G CA -0.005 44.977 45.100 -0.197 0.000 0.883 107 G HN 0.688 nan 8.290 nan 0.000 0.570 108 Y N -1.340 118.964 120.300 0.007 0.000 3.491 108 Y HA -0.073 4.477 4.550 -0.000 0.000 0.215 108 Y C 2.242 178.153 175.900 0.017 0.000 1.219 108 Y CA 1.978 60.084 58.100 0.011 0.000 1.485 108 Y CB -1.733 36.734 38.460 0.013 0.000 1.450 108 Y HN 2.691 nan 8.280 nan 0.000 0.603 109 G N -2.026 106.828 108.800 0.090 0.000 2.168 109 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 109 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 109 G C 0.126 175.072 174.900 0.077 0.000 0.997 109 G CA -0.030 45.113 45.100 0.073 0.000 0.708 109 G HN 0.682 nan 8.290 nan 0.000 0.520 110 C N 0.458 119.809 119.300 0.084 0.000 2.365 110 C HA 0.597 5.057 4.460 -0.000 0.000 0.349 110 C C 0.359 175.376 174.990 0.044 0.000 1.191 110 C CA -0.684 58.378 59.018 0.073 0.000 2.114 110 C CB 1.490 29.285 27.740 0.092 0.000 2.367 110 C HN 0.354 nan 8.230 nan 0.000 0.530 111 P HA -0.003 nan 4.420 nan 0.000 0.218 111 P C 0.774 178.082 177.300 0.013 0.000 1.148 111 P CA 1.976 65.088 63.100 0.021 0.000 0.822 111 P CB -0.008 31.702 31.700 0.017 0.000 0.784 112 G N 0.234 109.043 108.800 0.016 0.000 2.368 112 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.290 112 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.290 112 G C -0.198 174.703 174.900 0.001 0.000 1.098 112 G CA -0.190 44.916 45.100 0.011 0.000 1.073 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.363 121.583 121.223 -0.005 0.000 2.416 113 L HA 0.647 4.987 4.340 -0.000 0.000 0.262 113 L C 1.464 178.322 176.870 -0.019 0.000 1.093 113 L CA -0.440 54.391 54.840 -0.016 0.000 0.801 113 L CB 1.244 43.285 42.059 -0.030 0.000 1.191 113 L HN 0.512 nan 8.230 nan 0.000 0.459 114 S N 0.160 115.845 115.700 -0.025 0.000 2.593 114 S HA 0.103 4.573 4.470 -0.000 0.000 0.269 114 S C 0.888 175.456 174.600 -0.053 0.000 1.334 114 S CA -0.612 57.574 58.200 -0.023 0.000 1.015 114 S CB 1.103 64.291 63.200 -0.020 0.000 0.912 114 S HN 0.576 nan 8.310 nan 0.000 0.541 115 I N 1.914 122.465 120.570 -0.031 0.000 2.264 115 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 115 I C 2.182 178.181 176.117 -0.197 0.000 1.111 115 I CA 1.955 63.203 61.300 -0.086 0.000 1.382 115 I CB -0.907 37.112 38.000 0.032 0.000 1.060 115 I HN 0.894 nan 8.210 nan 0.000 0.418 116 T N 0.728 115.187 114.554 -0.159 0.000 2.777 116 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 116 T C 1.974 176.509 174.700 -0.276 0.000 1.040 116 T CA 1.329 63.296 62.100 -0.222 0.000 1.141 116 T CB -0.616 68.208 68.868 -0.073 0.000 0.868 116 T HN 0.507 nan 8.240 nan 0.000 0.444 117 A N 1.816 124.537 122.820 -0.164 0.000 1.898 117 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 117 A C 2.171 179.645 177.584 -0.184 0.000 1.181 117 A CA 1.597 53.552 52.037 -0.136 0.000 0.620 117 A CB -0.885 18.075 19.000 -0.067 0.000 0.819 117 A HN 0.592 nan 8.150 nan 0.000 0.442 118 N N -0.450 118.136 118.700 -0.189 0.000 2.309 118 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 118 N C 1.776 177.114 175.510 -0.287 0.000 1.018 118 N CA 0.782 53.721 53.050 -0.186 0.000 0.876 118 N CB -0.122 38.276 38.487 -0.149 0.000 0.972 118 N HN 0.453 nan 8.380 nan 0.000 0.434 119 A N 0.813 123.334 122.820 -0.499 0.000 1.874 119 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 119 A C 1.992 179.036 177.584 -0.901 0.000 1.189 119 A CA 0.513 52.017 52.037 -0.888 0.000 0.615 119 A CB -0.422 17.610 19.000 -1.612 0.000 0.830 119 A HN 0.317 nan 8.150 nan 0.000 0.443 120 I N -0.117 119.971 120.570 -0.804 0.000 2.614 120 I HA -0.124 4.046 4.170 -0.000 0.000 0.258 120 I C 2.449 178.502 176.117 -0.107 0.000 1.189 120 I CA 1.084 62.155 61.300 -0.382 0.000 1.462 120 I CB -0.152 37.743 38.000 -0.176 0.000 1.092 120 I HN 0.291 nan 8.210 nan 0.000 0.442 121 A N -0.695 122.045 122.820 -0.134 0.000 1.873 121 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 121 A C 2.329 179.906 177.584 -0.010 0.000 1.186 121 A CA 2.277 54.284 52.037 -0.050 0.000 0.616 121 A CB -1.323 17.642 19.000 -0.060 0.000 0.823 121 A HN 0.423 nan 8.150 nan 0.000 0.442 122 T N 0.674 115.210 114.554 -0.031 0.000 2.720 122 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 122 T C 2.200 176.969 174.700 0.115 0.000 1.037 122 T CA 1.747 63.871 62.100 0.040 0.000 1.144 122 T CB -0.566 68.323 68.868 0.035 0.000 0.864 122 T HN 0.609 nan 8.240 nan 0.000 0.444 123 A N 2.040 124.966 122.820 0.176 0.000 1.865 123 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 123 A C 2.232 179.931 177.584 0.192 0.000 1.191 123 A CA 1.406 53.610 52.037 0.278 0.000 0.623 123 A CB -0.473 18.816 19.000 0.482 0.000 0.826 123 A HN 0.370 nan 8.150 nan 0.000 0.444 124 E N -0.412 119.876 120.200 0.147 0.000 2.472 124 E HA -0.042 4.308 4.350 -0.000 0.000 0.200 124 E C 1.736 178.360 176.600 0.041 0.000 1.046 124 E CA 0.546 57.005 56.400 0.099 0.000 0.871 124 E CB -0.214 29.535 29.700 0.082 0.000 0.806 124 E HN 0.776 nan 8.360 nan 0.000 0.533 125 I N 0.396 120.998 120.570 0.053 0.000 2.364 125 I HA -0.081 4.088 4.170 -0.000 0.000 0.241 125 I C 2.391 178.538 176.117 0.051 0.000 1.082 125 I CA 0.717 62.037 61.300 0.033 0.000 1.401 125 I CB -0.331 37.701 38.000 0.054 0.000 1.126 125 I HN -0.056 nan 8.210 nan 0.000 0.429 126 A N 1.131 124.009 122.820 0.098 0.000 2.024 126 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 126 A C 2.418 180.075 177.584 0.122 0.000 1.164 126 A CA 1.591 53.700 52.037 0.120 0.000 0.643 126 A CB -0.767 18.321 19.000 0.146 0.000 0.806 126 A HN 0.386 nan 8.150 nan 0.000 0.451 127 R N -0.205 120.369 120.500 0.122 0.000 2.083 127 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 127 R C 1.758 178.149 176.300 0.151 0.000 1.137 127 R CA 2.274 58.471 56.100 0.161 0.000 0.951 127 R CB -0.450 29.946 30.300 0.160 0.000 0.851 127 R HN 0.317 nan 8.270 nan 0.000 0.434 128 V N 0.017 119.887 119.914 -0.072 0.000 2.379 128 V HA -0.042 4.078 4.120 -0.000 0.000 0.243 128 V C 0.392 176.474 176.094 -0.020 0.000 1.035 128 V CA 1.477 63.611 62.300 -0.276 0.000 1.035 128 V CB -0.261 31.236 31.823 -0.544 0.000 0.673 128 V HN 0.404 nan 8.190 nan 0.000 0.457 129 D N -2.005 118.396 120.400 0.001 0.000 2.890 129 D HA 0.538 5.178 4.640 -0.000 0.000 0.233 129 D C 0.394 176.750 176.300 0.093 0.000 1.306 129 D CA 0.219 54.247 54.000 0.047 0.000 0.929 129 D CB 1.926 42.741 40.800 0.025 0.000 1.512 129 D HN 0.050 nan 8.370 nan 0.000 0.568 130 A N 2.359 125.254 122.820 0.125 0.000 1.968 130 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 130 A C 1.962 179.668 177.584 0.203 0.000 1.169 130 A CA 1.444 53.581 52.037 0.165 0.000 0.638 130 A CB -0.247 18.857 19.000 0.174 0.000 0.812 130 A HN 0.512 nan 8.150 nan 0.000 0.446 131 S N -0.696 115.139 115.700 0.225 0.000 2.351 131 S HA -0.224 4.246 4.470 -0.000 0.000 0.220 131 S C 1.883 176.630 174.600 0.245 0.000 1.035 131 S CA 1.578 59.930 58.200 0.253 0.000 1.031 131 S CB -0.766 62.609 63.200 0.291 0.000 0.928 131 S HN 0.694 nan 8.310 nan 0.000 0.433 132 C N 1.161 120.565 119.300 0.173 0.000 2.419 132 C HA 0.036 4.496 4.460 -0.000 0.000 0.283 132 C C 3.150 178.301 174.990 0.267 0.000 1.373 132 C CA 0.860 59.994 59.018 0.194 0.000 1.781 132 C CB -1.369 26.392 27.740 0.034 0.000 1.886 132 C HN 0.679 nan 8.230 nan 0.000 0.520 133 S N 0.010 115.832 115.700 0.204 0.000 2.371 133 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 133 S C 1.902 176.621 174.600 0.198 0.000 1.029 133 S CA 2.204 60.512 58.200 0.179 0.000 0.978 133 S CB -0.306 62.988 63.200 0.156 0.000 0.833 133 S HN 0.665 nan 8.310 nan 0.000 0.466 134 T N 1.840 116.533 114.554 0.232 0.000 2.777 134 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 134 T C 1.342 176.168 174.700 0.210 0.000 1.040 134 T CA 1.363 63.593 62.100 0.218 0.000 1.141 134 T CB -0.574 68.405 68.868 0.185 0.000 0.868 134 T HN 0.542 nan 8.240 nan 0.000 0.444 135 F N 1.941 121.983 119.950 0.154 0.000 2.065 135 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 135 F C 1.922 177.809 175.800 0.146 0.000 1.112 135 F CA 1.225 59.327 58.000 0.169 0.000 1.212 135 F CB -0.610 38.572 39.000 0.304 0.000 0.975 135 F HN 0.098 nan 8.300 nan 0.000 0.476 136 I N -0.165 120.327 120.570 -0.130 0.000 2.202 136 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 136 I C 2.531 178.596 176.117 -0.088 0.000 1.091 136 I CA 1.311 62.472 61.300 -0.231 0.000 1.368 136 I CB -0.518 37.477 38.000 -0.009 0.000 1.058 136 I HN 0.301 nan 8.210 nan 0.000 0.410 137 L N 0.327 121.547 121.223 -0.005 0.000 2.012 137 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 137 L C 2.500 179.346 176.870 -0.039 0.000 1.073 137 L CA 1.509 56.347 54.840 -0.004 0.000 0.748 137 L CB -0.148 41.944 42.059 0.054 0.000 0.891 137 L HN -0.019 nan 8.230 nan 0.000 0.431 138 V N -0.630 119.276 119.914 -0.013 0.000 2.407 138 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 138 V C 2.388 178.452 176.094 -0.050 0.000 1.055 138 V CA 2.165 64.455 62.300 -0.017 0.000 1.049 138 V CB -0.871 30.975 31.823 0.038 0.000 0.662 138 V HN 0.679 nan 8.190 nan 0.000 0.455 139 H N -0.524 118.425 119.070 -0.202 0.000 2.326 139 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 139 H C 2.537 177.774 175.328 -0.151 0.000 1.081 139 H CA 2.115 58.033 56.048 -0.218 0.000 1.334 139 H CB 0.058 29.574 29.762 -0.410 0.000 1.385 139 H HN 0.365 nan 8.280 nan 0.000 0.504 140 S N -1.381 114.270 115.700 -0.083 0.000 2.384 140 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 140 S C 2.180 176.695 174.600 -0.141 0.000 1.041 140 S CA 0.805 58.950 58.200 -0.092 0.000 0.948 140 S CB -0.295 62.916 63.200 0.019 0.000 0.872 140 S HN 0.462 nan 8.310 nan 0.000 0.512 141 S N 0.882 116.497 115.700 -0.141 0.000 2.461 141 S HA 0.294 4.764 4.470 -0.000 0.000 0.228 141 S C 1.561 175.992 174.600 -0.281 0.000 1.005 141 S CA 0.480 58.571 58.200 -0.183 0.000 0.942 141 S CB -0.075 63.025 63.200 -0.167 0.000 0.776 141 S HN 0.383 nan 8.310 nan 0.000 0.514 142 L N -0.166 120.856 121.223 -0.334 0.000 2.435 142 L HA 0.273 4.613 4.340 -0.000 0.000 0.195 142 L C 2.523 179.168 176.870 -0.374 0.000 1.072 142 L CA 0.665 55.134 54.840 -0.620 0.000 0.833 142 L CB -0.834 40.751 42.059 -0.790 0.000 1.081 142 L HN 0.357 nan 8.230 nan 0.000 0.485 143 G N 0.074 108.780 108.800 -0.157 0.000 2.616 143 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 143 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 143 G C 1.502 176.333 174.900 -0.115 0.000 1.284 143 G CA 0.560 45.635 45.100 -0.042 0.000 0.823 143 G HN 0.062 nan 8.290 nan 0.000 0.569 144 M N -0.232 119.226 119.600 -0.237 0.000 2.106 144 M HA -0.095 4.385 4.480 -0.000 0.000 0.259 144 M C 2.569 178.799 176.300 -0.116 0.000 1.068 144 M CA 1.226 56.413 55.300 -0.190 0.000 1.100 144 M CB -0.469 32.005 32.600 -0.209 0.000 1.351 144 M HN 0.250 nan 8.290 nan 0.000 0.404 145 L N 0.076 121.230 121.223 -0.116 0.000 2.083 145 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 145 L C 2.324 179.162 176.870 -0.053 0.000 1.083 145 L CA 1.844 56.631 54.840 -0.088 0.000 0.752 145 L CB -0.727 41.261 42.059 -0.117 0.000 0.899 145 L HN 0.212 nan 8.230 nan 0.000 0.433 146 T N -0.146 114.398 114.554 -0.016 0.000 2.720 146 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 146 T C 1.931 176.632 174.700 0.002 0.000 1.037 146 T CA 2.077 64.223 62.100 0.076 0.000 1.144 146 T CB -0.328 68.720 68.868 0.299 0.000 0.864 146 T HN 0.319 nan 8.240 nan 0.000 0.444 147 I N 1.137 121.682 120.570 -0.043 0.000 2.252 147 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 147 I C 2.828 178.881 176.117 -0.107 0.000 1.102 147 I CA 1.027 62.278 61.300 -0.082 0.000 1.385 147 I CB -0.378 37.569 38.000 -0.088 0.000 1.064 147 I HN 0.185 nan 8.210 nan 0.000 0.414 148 A N 0.291 123.047 122.820 -0.107 0.000 2.015 148 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 148 A C 2.197 179.738 177.584 -0.072 0.000 1.163 148 A CA 1.354 53.315 52.037 -0.126 0.000 0.646 148 A CB -0.384 18.571 19.000 -0.075 0.000 0.806 148 A HN 0.422 nan 8.150 nan 0.000 0.448 149 L N -2.454 118.742 121.223 -0.045 0.000 2.467 149 L HA 0.038 4.378 4.340 -0.000 0.000 0.213 149 L C 1.825 178.679 176.870 -0.027 0.000 1.053 149 L CA 0.365 55.192 54.840 -0.022 0.000 0.847 149 L CB 0.188 42.242 42.059 -0.008 0.000 1.075 149 L HN 0.379 nan 8.230 nan 0.000 0.479 150 C N -0.368 118.911 119.300 -0.034 0.000 3.065 150 C HA 0.350 4.809 4.460 -0.000 0.000 0.285 150 C C 1.545 176.491 174.990 -0.073 0.000 1.257 150 C CA -0.621 58.370 59.018 -0.045 0.000 1.691 150 C CB -0.533 27.188 27.740 -0.033 0.000 2.089 150 C HN 0.422 nan 8.230 nan 0.000 0.630 151 G N 1.341 110.094 108.800 -0.079 0.000 2.599 151 G HA2 0.425 4.385 3.960 -0.000 0.000 0.264 151 G HA3 0.425 4.385 3.960 -0.000 0.000 0.264 151 G C 0.146 175.006 174.900 -0.067 0.000 1.200 151 G CA 0.223 45.274 45.100 -0.082 0.000 0.896 151 G HN 0.518 nan 8.290 nan 0.000 0.536 152 S N -0.622 115.049 115.700 -0.048 0.000 2.652 152 S HA 0.267 4.737 4.470 -0.000 0.000 0.270 152 S C 0.964 175.542 174.600 -0.037 0.000 1.243 152 S CA -0.470 57.712 58.200 -0.031 0.000 0.999 152 S CB 1.722 64.914 63.200 -0.013 0.000 0.973 152 S HN 0.565 nan 8.310 nan 0.000 0.544 153 E N 1.087 121.282 120.200 -0.009 0.000 2.160 153 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 153 E C 2.189 178.797 176.600 0.013 0.000 0.991 153 E CA 1.503 57.916 56.400 0.021 0.000 0.810 153 E CB -0.821 28.916 29.700 0.062 0.000 0.742 153 E HN 0.810 nan 8.360 nan 0.000 0.466 154 A N 0.869 123.690 122.820 0.001 0.000 1.969 154 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 154 A C 2.104 179.661 177.584 -0.043 0.000 1.169 154 A CA 1.226 53.255 52.037 -0.012 0.000 0.635 154 A CB -0.291 18.706 19.000 -0.005 0.000 0.810 154 A HN 0.198 nan 8.150 nan 0.000 0.445 155 Q N -0.353 119.437 119.800 -0.017 0.000 2.096 155 Q HA -0.080 4.260 4.340 -0.000 0.000 0.197 155 Q C 2.000 178.002 176.000 0.003 0.000 0.964 155 Q CA 1.359 57.190 55.803 0.048 0.000 0.838 155 Q CB -0.124 28.694 28.738 0.133 0.000 0.906 155 Q HN 0.624 nan 8.270 nan 0.000 0.444 156 K N 0.733 121.056 120.400 -0.128 0.000 2.032 156 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 156 K C 1.876 178.343 176.600 -0.221 0.000 1.048 156 K CA 1.098 57.170 56.287 -0.359 0.000 0.927 156 K CB 0.008 31.985 32.500 -0.872 0.000 0.712 156 K HN 0.151 nan 8.250 nan 0.000 0.441 157 E N 0.693 120.867 120.200 -0.043 0.000 2.347 157 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 157 E C 1.779 178.368 176.600 -0.018 0.000 1.008 157 E CA 0.782 57.242 56.400 0.101 0.000 0.852 157 E CB 0.210 29.981 29.700 0.119 0.000 0.783 157 E HN 0.277 nan 8.360 nan 0.000 0.505 158 K N -0.373 119.937 120.400 -0.151 0.000 2.141 158 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 158 K C 1.580 177.970 176.600 -0.350 0.000 1.045 158 K CA 0.586 56.669 56.287 -0.340 0.000 0.971 158 K CB 0.189 32.307 32.500 -0.636 0.000 0.795 158 K HN 0.033 nan 8.250 nan 0.000 0.459 159 Y N 0.627 120.921 120.300 -0.010 0.000 2.314 159 Y HA 0.064 4.614 4.550 0.000 0.000 0.294 159 Y C 2.086 177.988 175.900 0.003 0.000 1.139 159 Y CA 0.096 58.193 58.100 -0.005 0.000 1.162 159 Y CB -0.181 38.262 38.460 -0.028 0.000 1.121 159 Y HN -0.124 nan 8.280 nan 0.000 0.529 160 L N 0.373 121.675 121.223 0.132 0.000 2.034 160 L HA -0.241 4.099 4.340 -0.000 0.000 0.217 160 L C -0.614 176.323 176.870 0.110 0.000 1.077 160 L CA 1.730 56.620 54.840 0.082 0.000 0.769 160 L CB -1.934 40.138 42.059 0.021 0.000 0.890 160 L HN 0.196 nan 8.230 nan 0.000 0.435 161 P HA -0.203 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 1.815 64.979 63.100 0.106 0.000 0.858 161 P CB 0.026 31.778 31.700 0.087 0.000 0.789 162 S N -1.826 113.940 115.700 0.110 0.000 2.414 162 S HA -0.044 4.425 4.470 -0.000 0.000 0.227 162 S C 1.684 176.378 174.600 0.155 0.000 1.022 162 S CA 0.620 58.893 58.200 0.121 0.000 0.958 162 S CB -0.808 62.466 63.200 0.122 0.000 0.797 162 S HN -0.104 nan 8.310 nan 0.000 0.493 163 L N 1.455 122.782 121.223 0.173 0.000 2.156 163 L HA 0.198 4.538 4.340 -0.000 0.000 0.208 163 L C 2.640 179.688 176.870 0.298 0.000 1.095 163 L CA 1.484 56.470 54.840 0.243 0.000 0.770 163 L CB -0.838 41.291 42.059 0.116 0.000 0.914 163 L HN 0.351 nan 8.230 nan 0.000 0.439 164 A N -1.467 121.463 122.820 0.183 0.000 2.014 164 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 164 A C 2.079 179.737 177.584 0.123 0.000 1.163 164 A CA 0.997 53.125 52.037 0.152 0.000 0.652 164 A CB -0.239 18.826 19.000 0.109 0.000 0.808 164 A HN 0.385 nan 8.150 nan 0.000 0.449 165 Q N -1.498 118.371 119.800 0.115 0.000 2.403 165 Q HA 0.185 4.525 4.340 -0.000 0.000 0.203 165 Q C -0.205 175.851 176.000 0.093 0.000 0.932 165 Q CA 0.012 55.870 55.803 0.092 0.000 0.945 165 Q CB 0.353 29.141 28.738 0.083 0.000 1.045 165 Q HN 0.423 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 -0.296 4.044 4.340 -0.000 0.000 0.410 166 L C 0.515 177.462 176.870 0.127 0.000 1.187 166 L CA 0.796 55.685 54.840 0.082 0.000 0.956 166 L CB -2.430 39.668 42.059 0.065 0.000 2.022 166 L HN 0.306 nan 8.230 nan 0.000 0.897 167 N N -1.513 117.266 118.700 0.131 0.000 2.354 167 N HA 0.049 4.789 4.740 -0.000 0.000 0.179 167 N C 0.502 176.106 175.510 0.157 0.000 1.021 167 N CA 1.107 54.236 53.050 0.132 0.000 0.887 167 N CB 0.234 38.787 38.487 0.110 0.000 0.974 167 N HN 0.675 nan 8.380 nan 0.000 0.437 168 T N -1.468 113.194 114.554 0.180 0.000 2.876 168 T HA 0.595 4.945 4.350 -0.000 0.000 0.289 168 T C -0.575 174.285 174.700 0.268 0.000 1.014 168 T CA -0.860 61.362 62.100 0.203 0.000 0.986 168 T CB 2.492 71.470 68.868 0.184 0.000 1.021 168 T HN -0.316 nan 8.240 nan 0.000 0.458 169 V N 1.738 121.810 119.914 0.263 0.000 2.459 169 V HA 0.806 4.925 4.120 -0.000 0.000 0.295 169 V C 0.318 176.539 176.094 0.213 0.000 1.029 169 V CA -0.829 61.656 62.300 0.309 0.000 0.874 169 V CB 1.204 33.225 31.823 0.329 0.000 0.985 169 V HN 1.311 nan 8.190 nan 0.000 0.438 170 A N 3.730 126.702 122.820 0.253 0.000 2.330 170 A HA 0.918 5.238 4.320 -0.000 0.000 0.329 170 A C -0.196 177.382 177.584 -0.011 0.000 1.135 170 A CA -0.425 51.614 52.037 0.002 0.000 0.817 170 A CB 1.420 20.328 19.000 -0.152 0.000 1.269 170 A HN 1.357 nan 8.150 nan 0.000 0.469 171 C N -1.626 117.665 119.300 -0.015 0.000 2.994 171 C HA 0.879 5.339 4.460 -0.000 0.000 0.304 171 C C -1.235 173.848 174.990 0.155 0.000 1.273 171 C CA -0.990 58.050 59.018 0.036 0.000 1.537 171 C CB 0.447 28.166 27.740 -0.034 0.000 2.001 171 C HN 0.916 nan 8.230 nan 0.000 0.471 172 W N 2.123 123.423 121.300 -0.000 0.000 2.417 172 W HA 0.632 5.292 4.660 -0.000 0.000 0.315 172 W C -0.220 176.364 176.519 0.109 0.000 1.045 172 W CA -0.435 56.957 57.345 0.078 0.000 1.221 172 W CB 1.784 31.292 29.460 0.080 0.000 1.309 172 W HN 1.112 nan 8.180 nan 0.000 0.453 173 A N 6.782 129.535 122.820 -0.111 0.000 2.802 173 A HA 0.404 4.724 4.320 -0.000 0.000 0.344 173 A C -0.340 177.148 177.584 -0.161 0.000 1.215 173 A CA -0.350 51.640 52.037 -0.079 0.000 0.821 173 A CB 0.351 19.327 19.000 -0.041 0.000 1.099 173 A HN 0.754 nan 8.150 nan 0.000 0.479 174 L N 1.710 122.746 121.223 -0.313 0.000 2.445 174 L HA 0.279 4.619 4.340 -0.000 0.000 0.207 174 L C 0.993 177.772 176.870 -0.152 0.000 1.053 174 L CA 1.492 56.094 54.840 -0.396 0.000 0.841 174 L CB 0.102 41.696 42.059 -0.773 0.000 1.074 174 L HN 0.407 nan 8.230 nan 0.000 0.479 175 T N 1.480 116.012 114.554 -0.037 0.000 2.918 175 T HA 0.277 4.627 4.350 -0.000 0.000 0.302 175 T C -0.238 174.489 174.700 0.044 0.000 1.045 175 T CA -0.145 61.976 62.100 0.034 0.000 1.114 175 T CB 0.698 69.643 68.868 0.128 0.000 0.965 175 T HN 0.244 nan 8.240 nan 0.000 0.540 176 E N 2.119 122.345 120.200 0.043 0.000 2.359 176 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 176 E C -1.878 174.764 176.600 0.070 0.000 0.920 176 E CA -2.337 54.086 56.400 0.037 0.000 0.788 176 E CB 1.735 31.434 29.700 -0.001 0.000 1.279 176 E HN 0.226 nan 8.360 nan 0.000 0.438 177 P HA -0.135 nan 4.420 nan 0.000 0.216 177 P C 0.286 177.617 177.300 0.052 0.000 1.153 177 P CA 1.260 64.397 63.100 0.062 0.000 0.848 177 P CB 0.267 31.982 31.700 0.023 0.000 0.787 178 D N -1.625 118.791 120.400 0.026 0.000 2.149 178 D HA -0.027 4.613 4.640 -0.000 0.000 0.201 178 D C 0.389 176.697 176.300 0.013 0.000 0.972 178 D CA 1.050 55.059 54.000 0.017 0.000 0.835 178 D CB -0.273 40.528 40.800 0.003 0.000 0.966 178 D HN 0.118 nan 8.370 nan 0.000 0.476 179 N N -0.314 118.390 118.700 0.007 0.000 2.483 179 N HA 0.372 5.112 4.740 -0.000 0.000 0.267 179 N C 0.284 175.795 175.510 0.002 0.000 0.998 179 N CA -0.134 52.910 53.050 -0.011 0.000 0.918 179 N CB 2.117 40.576 38.487 -0.048 0.000 1.215 179 N HN 0.096 nan 8.380 nan 0.000 0.500 180 G N 0.654 109.463 108.800 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 1.055 175.964 174.900 0.015 0.000 1.726 180 G CA 0.147 45.265 45.100 0.029 0.000 0.725 180 G HN 0.417 nan 8.290 nan 0.000 0.654 181 S N 0.646 116.361 115.700 0.024 0.000 2.387 181 S HA -0.033 4.437 4.470 -0.000 0.000 0.226 181 S C 1.047 175.666 174.600 0.031 0.000 1.026 181 S CA 0.877 59.101 58.200 0.039 0.000 0.972 181 S CB -0.107 63.124 63.200 0.052 0.000 0.814 181 S HN 0.389 nan 8.310 nan 0.000 0.477 182 D N 1.287 121.691 120.400 0.006 0.000 2.688 182 D HA 0.448 5.088 4.640 -0.000 0.000 0.228 182 D C 0.884 177.117 176.300 -0.112 0.000 1.116 182 D CA -0.067 53.912 54.000 -0.034 0.000 1.023 182 D CB 0.048 40.837 40.800 -0.018 0.000 1.100 182 D HN 0.191 nan 8.370 nan 0.000 0.487 183 A N 0.954 123.674 122.820 -0.166 0.000 1.968 183 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 183 A C 2.171 179.428 177.584 -0.546 0.000 1.169 183 A CA 1.321 53.182 52.037 -0.293 0.000 0.638 183 A CB -0.373 18.478 19.000 -0.249 0.000 0.812 183 A HN 0.472 nan 8.150 nan 0.000 0.446 184 S N -0.794 114.514 115.700 -0.653 0.000 2.507 184 S HA 0.121 4.591 4.470 -0.000 0.000 0.235 184 S C 1.332 175.726 174.600 -0.344 0.000 0.988 184 S CA 0.801 58.565 58.200 -0.727 0.000 0.944 184 S CB -0.390 62.520 63.200 -0.483 0.000 0.762 184 S HN 0.690 nan 8.310 nan 0.000 0.526 185 G N 2.133 110.792 108.800 -0.235 0.000 3.820 185 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 185 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 185 G C 0.191 175.023 174.900 -0.113 0.000 1.152 185 G CA -0.763 44.256 45.100 -0.135 0.000 0.921 185 G HN 0.611 nan 8.290 nan 0.000 0.544 186 L N -2.372 118.765 121.223 -0.143 0.000 2.479 186 L HA 0.733 5.073 4.340 -0.000 0.000 0.270 186 L C 0.965 177.797 176.870 -0.063 0.000 1.236 186 L CA 0.002 54.781 54.840 -0.102 0.000 0.823 186 L CB 0.997 42.985 42.059 -0.119 0.000 1.098 186 L HN -0.054 nan 8.230 nan 0.000 0.500 187 G N -0.028 108.744 108.800 -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 0.251 175.133 174.900 -0.032 0.000 1.028 187 G CA -0.094 44.986 45.100 -0.033 0.000 0.809 187 G HN 0.623 nan 8.290 nan 0.000 0.521 188 T N 2.415 116.946 114.554 -0.038 0.000 2.752 188 T HA 0.399 4.748 4.350 -0.000 0.000 0.295 188 T C 0.668 175.336 174.700 -0.053 0.000 0.923 188 T CA 0.060 62.131 62.100 -0.048 0.000 1.112 188 T CB 0.960 69.794 68.868 -0.056 0.000 0.884 188 T HN 0.302 nan 8.240 nan 0.000 0.525 189 T N 0.313 114.834 114.554 -0.054 0.000 2.909 189 T HA 0.637 4.987 4.350 -0.000 0.000 0.286 189 T C 0.057 174.704 174.700 -0.089 0.000 1.002 189 T CA -1.102 60.973 62.100 -0.043 0.000 1.074 189 T CB 1.351 70.210 68.868 -0.015 0.000 0.984 189 T HN 0.536 nan 8.240 nan 0.000 0.495 190 A N 3.054 125.837 122.820 -0.063 0.000 2.938 190 A HA 0.562 4.882 4.320 -0.000 0.000 0.344 190 A C 0.609 178.310 177.584 0.195 0.000 1.142 190 A CA -0.975 50.998 52.037 -0.107 0.000 0.841 190 A CB -0.458 18.349 19.000 -0.322 0.000 1.083 190 A HN 0.983 nan 8.150 nan 0.000 0.479 191 T N -0.368 114.279 114.554 0.155 0.000 2.834 191 T HA 0.368 4.717 4.350 -0.000 0.000 0.298 191 T C 0.044 174.873 174.700 0.216 0.000 0.966 191 T CA -0.438 61.767 62.100 0.176 0.000 1.141 191 T CB 0.923 69.840 68.868 0.081 0.000 0.905 191 T HN 0.471 nan 8.240 nan 0.000 0.535 192 K N 2.476 122.946 120.400 0.118 0.000 2.339 192 K HA 0.455 4.775 4.320 -0.000 0.000 0.286 192 K C -0.654 175.843 176.600 -0.172 0.000 1.050 192 K CA -0.424 55.715 56.287 -0.246 0.000 0.956 192 K CB 0.384 32.649 32.500 -0.392 0.000 0.990 192 K HN 0.573 nan 8.250 nan 0.000 0.475 193 V N 2.935 122.728 119.914 -0.202 0.000 3.158 193 V HA 0.334 4.454 4.120 -0.000 0.000 0.315 193 V C -0.817 175.217 176.094 -0.100 0.000 1.148 193 V CA -0.982 61.272 62.300 -0.077 0.000 1.042 193 V CB 1.848 33.700 31.823 0.049 0.000 1.101 193 V HN 0.947 nan 8.190 nan 0.000 0.448 194 E N 1.096 121.275 120.200 -0.036 0.000 2.328 194 E HA 0.344 4.694 4.350 -0.000 0.000 0.265 194 E C 0.868 177.490 176.600 0.036 0.000 1.057 194 E CA 0.998 57.380 56.400 -0.030 0.000 0.916 194 E CB 0.236 29.921 29.700 -0.026 0.000 0.993 194 E HN 1.207 nan 8.360 nan 0.000 0.446 195 G N 2.751 111.557 108.800 0.009 0.000 2.199 195 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 195 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 195 G C 0.430 175.398 174.900 0.113 0.000 0.982 195 G CA 0.026 45.180 45.100 0.091 0.000 0.632 195 G HN 1.080 nan 8.290 nan 0.000 0.529 196 G N -1.817 106.963 108.800 -0.034 0.000 2.485 196 G HA2 0.513 4.473 3.960 -0.000 0.000 0.182 196 G HA3 0.513 4.473 3.960 -0.000 0.000 0.182 196 G C -1.595 172.983 174.900 -0.537 0.000 1.172 196 G CA -0.004 44.916 45.100 -0.299 0.000 0.996 196 G HN 0.791 nan 8.290 nan 0.000 0.496 197 W N 0.037 121.183 121.300 -0.256 0.000 2.962 197 W HA 0.762 5.422 4.660 0.000 0.000 0.341 197 W C -0.446 175.977 176.519 -0.160 0.000 1.155 197 W CA -0.766 56.484 57.345 -0.158 0.000 1.165 197 W CB 1.948 31.294 29.460 -0.191 0.000 1.435 197 W HN 0.079 nan 8.180 nan 0.000 0.546 198 K N 3.125 123.610 120.400 0.143 0.000 2.464 198 K HA 0.358 4.677 4.320 -0.000 0.000 0.252 198 K C -0.776 175.803 176.600 -0.034 0.000 1.000 198 K CA -0.624 55.706 56.287 0.072 0.000 0.951 198 K CB 1.061 33.616 32.500 0.092 0.000 1.183 198 K HN 0.333 nan 8.250 nan 0.000 0.445 199 I N 2.813 123.306 120.570 -0.129 0.000 2.396 199 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 199 I C 0.096 176.145 176.117 -0.114 0.000 1.056 199 I CA -0.190 60.981 61.300 -0.214 0.000 1.365 199 I CB 0.187 37.989 38.000 -0.331 0.000 1.407 199 I HN 0.291 nan 8.210 nan 0.000 0.509 200 N N 4.876 123.518 118.700 -0.096 0.000 2.346 200 N HA 0.763 5.503 4.740 -0.000 0.000 0.289 200 N C 0.028 175.503 175.510 -0.058 0.000 1.027 200 N CA -0.208 52.808 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 0.932 nan 8.380 nan 0.000 0.481 201 G N 0.543 109.313 108.800 -0.050 0.000 2.343 201 G HA2 0.093 4.053 3.960 -0.000 0.000 0.289 201 G HA3 0.093 4.053 3.960 -0.000 0.000 0.289 201 G C -2.101 172.775 174.900 -0.040 0.000 1.295 201 G CA -0.638 44.436 45.100 -0.043 0.000 0.869 201 G HN 0.442 nan 8.290 nan 0.000 0.522 202 Q N -0.361 119.418 119.800 -0.034 0.000 2.397 202 Q HA 0.653 4.993 4.340 -0.000 0.000 0.275 202 Q C -1.188 174.796 176.000 -0.026 0.000 1.090 202 Q CA -0.942 54.843 55.803 -0.031 0.000 0.809 202 Q CB 1.856 30.578 28.738 -0.026 0.000 1.362 202 Q HN 0.385 nan 8.270 nan 0.000 0.431 203 K N 2.214 122.598 120.400 -0.026 0.000 2.435 203 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 203 K C -1.194 175.398 176.600 -0.013 0.000 0.954 203 K CA -0.707 55.572 56.287 -0.012 0.000 0.820 203 K CB 2.477 34.968 32.500 -0.015 0.000 1.292 203 K HN 0.646 nan 8.250 nan 0.000 0.436 204 R N 0.347 120.863 120.500 0.026 0.000 2.604 204 R HA 0.276 4.616 4.340 -0.000 0.000 0.281 204 R C -0.871 175.522 176.300 0.155 0.000 1.020 204 R CA -0.195 55.897 56.100 -0.013 0.000 0.899 204 R CB 0.906 31.183 30.300 -0.038 0.000 1.205 204 R HN 0.807 nan 8.270 nan 0.000 0.450 205 W N 2.171 123.471 121.300 0.000 0.000 1.266 205 W HA -0.192 4.467 4.660 -0.000 0.000 0.245 205 W C -0.520 175.997 176.519 -0.004 0.000 1.005 205 W CA -0.311 57.034 57.345 -0.000 0.000 0.396 205 W CB -1.367 28.101 29.460 0.012 0.000 2.016 205 W HN 0.388 nan 8.180 nan 0.000 1.120 206 I N 1.825 122.494 120.570 0.165 0.000 2.581 206 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 206 I C 1.469 177.628 176.117 0.070 0.000 1.129 206 I CA 1.040 62.409 61.300 0.117 0.000 1.397 206 I CB -0.115 37.921 38.000 0.061 0.000 1.399 206 I HN 0.029 nan 8.210 nan 0.000 0.537 207 G N 4.515 113.361 108.800 0.078 0.000 2.406 207 G HA2 0.250 4.210 3.960 -0.000 0.000 0.251 207 G HA3 0.250 4.210 3.960 -0.000 0.000 0.251 207 G C 0.638 175.509 174.900 -0.049 0.000 1.271 207 G CA -0.242 44.884 45.100 0.043 0.000 0.859 207 G HN 0.782 nan 8.290 nan 0.000 0.540 208 N N -0.051 118.559 118.700 -0.152 0.000 2.951 208 N HA -0.315 4.424 4.740 -0.000 0.000 0.213 208 N C 1.980 177.083 175.510 -0.678 0.000 0.877 208 N CA 1.836 54.510 53.050 -0.627 0.000 1.042 208 N CB -1.421 36.786 38.487 -0.467 0.000 1.005 208 N HN 0.813 nan 8.380 nan 0.000 0.604 209 S N -0.083 115.451 115.700 -0.278 0.000 2.392 209 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 209 S C 1.978 176.491 174.600 -0.144 0.000 1.041 209 S CA 2.389 60.486 58.200 -0.173 0.000 1.026 209 S CB -1.201 61.954 63.200 -0.075 0.000 0.845 209 S HN 0.655 nan 8.310 nan 0.000 0.465 210 T N -0.692 113.807 114.554 -0.093 0.000 3.007 210 T HA 0.041 4.391 4.350 -0.000 0.000 0.270 210 T C 1.151 175.947 174.700 0.160 0.000 1.107 210 T CA 0.916 63.050 62.100 0.056 0.000 1.118 210 T CB -0.753 68.204 68.868 0.148 0.000 0.889 210 T HN 0.813 nan 8.240 nan 0.000 0.506 211 F N -0.328 119.662 119.950 0.066 0.000 2.915 211 F HA 0.802 5.329 4.527 -0.000 0.000 0.347 211 F C 0.406 176.259 175.800 0.090 0.000 1.104 211 F CA -1.708 56.346 58.000 0.089 0.000 1.126 211 F CB -0.184 38.926 39.000 0.183 0.000 1.145 211 F HN 0.165 nan 8.300 nan 0.000 0.541 212 A N 1.260 123.919 122.820 -0.268 0.000 2.440 212 A HA 0.309 4.629 4.320 -0.000 0.000 0.251 212 A C 0.440 178.022 177.584 -0.004 0.000 1.089 212 A CA 0.177 52.121 52.037 -0.156 0.000 0.779 212 A CB 0.016 18.890 19.000 -0.209 0.000 1.022 212 A HN 0.451 nan 8.150 nan 0.000 0.492 213 D N 0.650 121.082 120.400 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 0.965 55.001 54.000 0.060 0.000 0.840 213 D CB -0.064 40.798 40.800 0.102 0.000 0.972 213 D HN 0.344 nan 8.370 nan 0.000 0.482 214 L N 0.634 121.843 121.223 -0.024 0.000 2.322 214 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 214 L C -1.171 175.646 176.870 -0.088 0.000 1.014 214 L CA -0.453 54.329 54.840 -0.096 0.000 0.815 214 L CB 1.790 43.748 42.059 -0.167 0.000 1.247 214 L HN -0.108 nan 8.230 nan 0.000 0.421 215 L N 5.272 126.436 121.223 -0.098 0.000 2.337 215 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 215 L C -0.172 176.633 176.870 -0.109 0.000 1.018 215 L CA 0.078 54.868 54.840 -0.083 0.000 0.876 215 L CB 0.888 42.905 42.059 -0.070 0.000 1.236 215 L HN 0.416 nan 8.230 nan 0.000 0.436 216 I N 4.480 124.989 120.570 -0.102 0.000 2.357 216 I HA 0.110 4.280 4.170 -0.000 0.000 0.300 216 I C 0.004 175.977 176.117 -0.241 0.000 1.159 216 I CA 0.362 61.554 61.300 -0.179 0.000 1.339 216 I CB -0.215 37.730 38.000 -0.091 0.000 1.458 216 I HN 0.436 nan 8.210 nan 0.000 0.577 217 I N 5.780 126.217 120.570 -0.220 0.000 2.331 217 I HA 0.244 4.413 4.170 -0.000 0.000 0.292 217 I C -0.223 175.773 176.117 -0.202 0.000 0.998 217 I CA -0.417 60.791 61.300 -0.153 0.000 1.267 217 I CB 0.837 38.772 38.000 -0.108 0.000 1.386 217 I HN 0.244 nan 8.210 nan 0.000 0.476 218 F N 5.219 125.060 119.950 -0.181 0.000 2.411 218 F HA 0.625 5.152 4.527 -0.000 0.000 0.350 218 F C 0.605 176.367 175.800 -0.063 0.000 1.114 218 F CA -0.134 57.795 58.000 -0.118 0.000 1.135 218 F CB 1.246 40.112 39.000 -0.224 0.000 1.120 218 F HN 0.448 nan 8.300 nan 0.000 0.495 219 A N 3.779 126.695 122.820 0.160 0.000 2.532 219 A HA 0.759 5.079 4.320 -0.000 0.000 0.290 219 A C -0.923 176.710 177.584 0.081 0.000 1.143 219 A CA -1.037 51.026 52.037 0.044 0.000 0.728 219 A CB 1.440 20.340 19.000 -0.166 0.000 1.317 219 A HN 0.704 nan 8.150 nan 0.000 0.414 220 R N 1.579 122.090 120.500 0.018 0.000 2.196 220 R HA 0.139 4.479 4.340 -0.000 0.000 0.340 220 R C -0.368 175.957 176.300 0.042 0.000 1.043 220 R CA -0.456 55.662 56.100 0.030 0.000 0.883 220 R CB 0.271 30.576 30.300 0.010 0.000 1.078 220 R HN 0.749 nan 8.270 nan 0.000 0.462 221 N N 2.947 121.683 118.700 0.060 0.000 2.411 221 N HA -0.083 4.657 4.740 -0.000 0.000 0.282 221 N C 0.703 176.292 175.510 0.132 0.000 1.322 221 N CA 0.470 53.583 53.050 0.105 0.000 0.943 221 N CB 1.000 39.529 38.487 0.071 0.000 1.266 221 N HN 0.675 nan 8.380 nan 0.000 0.486 222 T N 0.205 114.851 114.554 0.153 0.000 2.929 222 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 222 T C 1.518 176.283 174.700 0.107 0.000 1.085 222 T CA 1.536 63.702 62.100 0.110 0.000 1.125 222 T CB -0.180 68.746 68.868 0.097 0.000 0.874 222 T HN 0.399 nan 8.240 nan 0.000 0.494 223 T N 2.311 116.955 114.554 0.149 0.000 2.809 223 T HA -0.031 4.319 4.350 -0.000 0.000 0.260 223 T C 2.331 177.087 174.700 0.093 0.000 1.039 223 T CA 1.645 63.816 62.100 0.117 0.000 1.141 223 T CB -0.580 68.372 68.868 0.140 0.000 0.869 223 T HN 0.762 nan 8.240 nan 0.000 0.437 224 T N -0.805 113.812 114.554 0.104 0.000 3.044 224 T HA 0.154 4.503 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 0.096 62.240 62.100 0.074 0.000 1.040 224 T CB -0.248 68.665 68.868 0.076 0.000 0.962 224 T HN 0.278 nan 8.240 nan 0.000 0.506 225 N N 1.213 119.948 118.700 0.059 0.000 2.741 225 N HA -0.141 4.598 4.740 -0.000 0.000 0.250 225 N C -0.777 174.755 175.510 0.037 0.000 1.115 225 N CA 0.696 53.771 53.050 0.042 0.000 0.724 225 N CB -0.630 37.875 38.487 0.031 0.000 1.090 225 N HN 0.587 nan 8.380 nan 0.000 0.558 226 Q N -0.155 119.672 119.800 0.045 0.000 2.418 226 Q HA 0.520 4.860 4.340 -0.000 0.000 0.276 226 Q C 0.033 176.063 176.000 0.049 0.000 1.081 226 Q CA -0.643 55.187 55.803 0.045 0.000 0.864 226 Q CB 1.084 29.849 28.738 0.045 0.000 1.384 226 Q HN 0.217 nan 8.270 nan 0.000 0.467 227 I N 1.464 122.079 120.570 0.075 0.000 2.342 227 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 227 I C -0.236 175.926 176.117 0.075 0.000 1.010 227 I CA -0.039 61.327 61.300 0.109 0.000 1.308 227 I CB 0.466 38.579 38.000 0.188 0.000 1.400 227 I HN 0.319 nan 8.210 nan 0.000 0.488 228 N N 2.801 121.504 118.700 0.004 0.000 2.328 228 N HA 0.748 5.488 4.740 -0.000 0.000 0.299 228 N C -0.311 174.909 175.510 -0.482 0.000 1.179 228 N CA -0.627 52.257 53.050 -0.277 0.000 0.793 228 N CB 1.944 40.107 38.487 -0.539 0.000 1.366 228 N HN 0.706 nan 8.380 nan 0.000 0.493 229 G N 0.233 108.557 108.800 -0.793 0.000 2.348 229 G HA2 0.630 4.590 3.960 -0.000 0.000 0.312 229 G HA3 0.630 4.590 3.960 -0.000 0.000 0.312 229 G C -1.298 172.944 174.900 -1.097 0.000 1.126 229 G CA -0.171 44.348 45.100 -0.969 0.000 0.865 229 G HN 0.333 nan 8.290 nan 0.000 0.474 230 F N 0.898 120.511 119.950 -0.563 0.000 2.547 230 F HA 0.422 4.949 4.527 -0.000 0.000 0.316 230 F C 0.167 175.755 175.800 -0.353 0.000 1.121 230 F CA -0.813 56.937 58.000 -0.418 0.000 0.911 230 F CB 2.362 41.125 39.000 -0.396 0.000 1.179 230 F HN 0.216 nan 8.300 nan 0.000 0.443 231 I N 4.323 124.813 120.570 -0.134 0.000 2.281 231 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 231 I C -0.680 175.364 176.117 -0.121 0.000 1.085 231 I CA -0.519 60.669 61.300 -0.187 0.000 1.257 231 I CB 0.486 38.306 38.000 -0.300 0.000 1.430 231 I HN 0.221 nan 8.210 nan 0.000 0.489 232 V N 7.343 127.191 119.914 -0.109 0.000 2.407 232 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 232 V C 0.552 176.606 176.094 -0.067 0.000 1.037 232 V CA -0.910 61.345 62.300 -0.075 0.000 0.900 232 V CB 1.134 32.912 31.823 -0.075 0.000 0.983 232 V HN 0.545 nan 8.190 nan 0.000 0.459 233 K N 3.315 123.696 120.400 -0.031 0.000 2.168 233 K HA 0.277 4.597 4.320 -0.000 0.000 0.258 233 K C 0.170 176.773 176.600 0.004 0.000 1.010 233 K CA -0.521 55.763 56.287 -0.006 0.000 0.929 233 K CB 0.917 33.438 32.500 0.036 0.000 0.998 233 K HN 0.547 nan 8.250 nan 0.000 0.479 234 K N 1.294 121.704 120.400 0.017 0.000 2.380 234 K HA -0.116 4.204 4.320 -0.000 0.000 0.267 234 K C -0.287 176.331 176.600 0.030 0.000 0.990 234 K CA 0.440 56.742 56.287 0.024 0.000 0.946 234 K CB 0.325 32.850 32.500 0.042 0.000 0.937 234 K HN 0.528 nan 8.250 nan 0.000 0.491 235 D N -0.515 119.900 120.400 0.026 0.000 3.006 235 D HA -0.216 4.424 4.640 -0.000 0.000 0.208 235 D C -0.384 175.932 176.300 0.028 0.000 1.116 235 D CA 1.413 55.429 54.000 0.027 0.000 0.998 235 D CB -1.215 39.604 40.800 0.032 0.000 1.124 235 D HN 0.717 nan 8.370 nan 0.000 0.413 236 A N 0.966 123.803 122.820 0.029 0.000 2.584 236 A HA 0.282 4.602 4.320 -0.000 0.000 0.239 236 A C -1.956 175.648 177.584 0.034 0.000 1.043 236 A CA -0.294 51.766 52.037 0.039 0.000 0.756 236 A CB 0.086 19.109 19.000 0.039 0.000 0.963 236 A HN -0.064 nan 8.150 nan 0.000 0.511 237 P HA 0.239 nan 4.420 nan 0.000 0.261 237 P C 1.090 178.407 177.300 0.028 0.000 1.183 237 P CA 1.821 64.939 63.100 0.030 0.000 0.761 237 P CB 0.539 32.257 31.700 0.030 0.000 0.785 238 G N 1.839 110.648 108.800 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 -0.319 174.581 174.900 -0.001 0.000 0.991 238 G CA -0.141 44.963 45.100 0.008 0.000 0.629 238 G HN 0.607 nan 8.290 nan 0.000 0.517 239 L N 0.956 122.179 121.223 0.000 0.000 2.289 239 L HA 0.864 5.204 4.340 -0.000 0.000 0.285 239 L C -0.093 176.773 176.870 -0.007 0.000 1.049 239 L CA -0.671 54.164 54.840 -0.008 0.000 0.804 239 L CB 1.361 43.415 42.059 -0.009 0.000 1.195 239 L HN 0.139 nan 8.230 nan 0.000 0.428 240 K N 4.580 124.972 120.400 -0.013 0.000 2.668 240 K HA 0.719 5.039 4.320 -0.000 0.000 0.246 240 K C -1.676 174.914 176.600 -0.017 0.000 0.976 240 K CA -0.441 55.839 56.287 -0.011 0.000 0.902 240 K CB 1.392 33.886 32.500 -0.011 0.000 1.172 240 K HN 0.778 nan 8.250 nan 0.000 0.452 241 A N 2.819 125.631 122.820 -0.013 0.000 2.267 241 A HA 0.446 4.766 4.320 -0.000 0.000 0.315 241 A C -0.249 177.329 177.584 -0.010 0.000 1.297 241 A CA -0.553 51.473 52.037 -0.018 0.000 0.865 241 A CB 0.591 19.578 19.000 -0.021 0.000 1.165 241 A HN 0.643 nan 8.150 nan 0.000 0.513 242 T N 0.088 114.628 114.554 -0.024 0.000 2.859 242 T HA 0.502 4.852 4.350 -0.000 0.000 0.281 242 T C -0.106 174.574 174.700 -0.034 0.000 1.005 242 T CA -0.843 61.244 62.100 -0.022 0.000 1.025 242 T CB 1.213 70.062 68.868 -0.031 0.000 0.977 242 T HN 0.641 nan 8.240 nan 0.000 0.458 243 K N 2.627 123.018 120.400 -0.014 0.000 2.451 243 K HA 0.199 4.519 4.320 -0.000 0.000 0.280 243 K C -0.434 176.125 176.600 -0.068 0.000 1.020 243 K CA -0.387 55.890 56.287 -0.017 0.000 1.008 243 K CB 0.168 32.681 32.500 0.022 0.000 0.917 243 K HN 0.631 nan 8.250 nan 0.000 0.478 244 I N 8.071 128.573 120.570 -0.112 0.000 2.337 244 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 244 I C -1.761 174.284 176.117 -0.120 0.000 1.046 244 I CA -1.960 59.227 61.300 -0.187 0.000 1.324 244 I CB 1.020 38.788 38.000 -0.387 0.000 1.409 244 I HN 0.614 nan 8.210 nan 0.000 0.494 245 P HA 0.365 nan 4.420 nan 0.000 0.286 245 P C -0.783 176.487 177.300 -0.051 0.000 1.292 245 P CA -0.459 62.605 63.100 -0.059 0.000 0.842 245 P CB 0.804 32.477 31.700 -0.045 0.000 1.207 246 N N -2.650 116.026 118.700 -0.039 0.000 2.776 246 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 246 N C -0.584 174.924 175.510 -0.002 0.000 1.112 246 N CA 0.838 53.874 53.050 -0.023 0.000 0.733 246 N CB -1.988 36.493 38.487 -0.010 0.000 1.097 246 N HN 0.562 nan 8.380 nan 0.000 0.558 247 K N 0.754 121.148 120.400 -0.009 0.000 2.270 247 K HA 0.282 4.602 4.320 -0.000 0.000 0.276 247 K C 1.974 178.560 176.600 -0.024 0.000 1.023 247 K CA -0.164 56.144 56.287 0.035 0.000 0.955 247 K CB 0.833 33.371 32.500 0.064 0.000 0.975 247 K HN 0.286 nan 8.250 nan 0.000 0.471 248 I N -1.771 118.822 120.570 0.040 0.000 3.427 248 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 248 I C 0.734 176.942 176.117 0.153 0.000 1.249 248 I CA -0.013 61.325 61.300 0.064 0.000 1.421 248 I CB 0.447 38.509 38.000 0.103 0.000 1.086 248 I HN 0.437 nan 8.210 nan 0.000 0.448 249 G N 0.737 109.626 108.800 0.148 0.000 2.605 249 G HA2 0.590 4.550 3.960 -0.000 0.000 0.296 249 G HA3 0.590 4.550 3.960 -0.000 0.000 0.296 249 G C -0.184 174.843 174.900 0.213 0.000 1.304 249 G CA -0.993 44.273 45.100 0.277 0.000 0.941 249 G HN 0.277 nan 8.290 nan 0.000 0.475 250 L N -0.232 121.195 121.223 0.340 0.000 3.854 250 L HA -0.239 4.101 4.340 -0.000 0.000 0.460 250 L C 2.061 179.002 176.870 0.118 0.000 1.228 250 L CA -0.012 54.990 54.840 0.270 0.000 0.760 250 L CB -0.830 41.338 42.059 0.182 0.000 1.597 250 L HN 0.694 nan 8.230 nan 0.000 0.852 251 R N -0.005 120.437 120.500 -0.096 0.000 2.148 251 R HA -0.041 4.299 4.340 -0.000 0.000 0.223 251 R C 2.070 178.298 176.300 -0.119 0.000 1.088 251 R CA 1.485 57.383 56.100 -0.338 0.000 0.985 251 R CB -0.062 29.635 30.300 -1.005 0.000 0.880 251 R HN 0.518 nan 8.270 nan 0.000 0.451 252 M N 0.370 119.983 119.600 0.022 0.000 2.349 252 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 252 M C 0.273 176.723 176.300 0.250 0.000 1.076 252 M CA 0.657 56.034 55.300 0.127 0.000 1.126 252 M CB 0.452 33.120 32.600 0.114 0.000 1.392 252 M HN -0.171 nan 8.290 nan 0.000 0.440 253 V N 2.769 122.825 119.914 0.236 0.000 2.458 253 V HA -0.075 4.045 4.120 -0.000 0.000 0.287 253 V C 0.401 176.610 176.094 0.192 0.000 1.009 253 V CA 0.085 62.537 62.300 0.254 0.000 1.091 253 V CB -0.141 31.803 31.823 0.201 0.000 0.960 253 V HN 0.278 nan 8.190 nan 0.000 0.476 254 Q N 4.544 124.472 119.800 0.212 0.000 2.513 254 Q HA 0.214 4.554 4.340 -0.000 0.000 0.227 254 Q C -0.103 175.962 176.000 0.107 0.000 1.257 254 Q CA 0.058 55.972 55.803 0.186 0.000 0.915 254 Q CB -0.042 28.895 28.738 0.331 0.000 1.507 254 Q HN 0.643 nan 8.270 nan 0.000 0.543 255 N N 0.826 119.577 118.700 0.085 0.000 2.518 255 N HA 0.532 5.272 4.740 -0.000 0.000 0.283 255 N C -0.001 175.494 175.510 -0.025 0.000 1.119 255 N CA 0.070 53.156 53.050 0.059 0.000 0.983 255 N CB 1.799 40.373 38.487 0.145 0.000 1.139 255 N HN 0.470 nan 8.380 nan 0.000 0.465 256 G N 0.307 109.079 108.800 -0.047 0.000 2.660 256 G HA2 0.265 4.225 3.960 -0.000 0.000 0.294 256 G HA3 0.265 4.225 3.960 -0.000 0.000 0.294 256 G C -1.416 173.417 174.900 -0.111 0.000 1.369 256 G CA -0.570 44.480 45.100 -0.084 0.000 0.912 256 G HN 0.343 nan 8.290 nan 0.000 0.479 257 D N 0.753 121.079 120.400 -0.123 0.000 2.280 257 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 257 D C -0.012 176.249 176.300 -0.066 0.000 1.129 257 D CA 0.282 54.216 54.000 -0.110 0.000 0.848 257 D CB 2.283 43.010 40.800 -0.122 0.000 1.107 257 D HN 0.149 nan 8.370 nan 0.000 0.471 258 I N 2.727 123.266 120.570 -0.051 0.000 2.336 258 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 258 I C 0.105 176.199 176.117 -0.039 0.000 0.991 258 I CA -0.583 60.693 61.300 -0.040 0.000 1.227 258 I CB 1.320 39.298 38.000 -0.037 0.000 1.366 258 I HN 0.114 nan 8.210 nan 0.000 0.466 259 L N 7.296 128.499 121.223 -0.035 0.000 2.325 259 L HA 0.579 4.919 4.340 -0.000 0.000 0.278 259 L C -0.893 175.958 176.870 -0.032 0.000 1.023 259 L CA -0.706 54.115 54.840 -0.032 0.000 0.811 259 L CB 1.638 43.681 42.059 -0.027 0.000 1.249 259 L HN 0.452 nan 8.230 nan 0.000 0.431 260 L N 4.102 125.305 121.223 -0.035 0.000 2.415 260 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 260 L C -0.882 175.969 176.870 -0.031 0.000 0.984 260 L CA -0.332 54.485 54.840 -0.039 0.000 0.853 260 L CB 1.731 43.754 42.059 -0.060 0.000 1.215 260 L HN 0.555 nan 8.230 nan 0.000 0.419 261 Q N 3.421 123.209 119.800 -0.020 0.000 2.363 261 Q HA 0.329 4.669 4.340 -0.000 0.000 0.265 261 Q C -0.412 175.587 176.000 -0.000 0.000 1.032 261 Q CA -0.735 55.061 55.803 -0.011 0.000 0.746 261 Q CB 1.453 30.186 28.738 -0.008 0.000 1.237 261 Q HN 0.466 nan 8.270 nan 0.000 0.475 262 N N 0.622 119.323 118.700 0.002 0.000 2.714 262 N HA -0.156 4.584 4.740 -0.000 0.000 0.252 262 N C -0.955 174.585 175.510 0.050 0.000 1.014 262 N CA 0.524 53.590 53.050 0.025 0.000 0.735 262 N CB -0.855 37.648 38.487 0.028 0.000 0.924 262 N HN 0.285 nan 8.380 nan 0.000 0.540 263 V N 1.683 121.612 119.914 0.024 0.000 2.415 263 V HA 0.091 4.211 4.120 -0.000 0.000 0.267 263 V C 0.762 176.900 176.094 0.074 0.000 1.042 263 V CA -0.425 61.897 62.300 0.037 0.000 1.000 263 V CB -0.045 31.767 31.823 -0.019 0.000 1.015 263 V HN 0.212 nan 8.190 nan 0.000 0.478 264 F N 6.615 126.561 119.950 -0.007 0.000 2.456 264 F HA 0.491 5.018 4.527 -0.000 0.000 0.358 264 F C 0.039 175.865 175.800 0.043 0.000 1.095 264 F CA -0.069 57.943 58.000 0.020 0.000 1.216 264 F CB 0.911 39.923 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.346 127.853 119.914 -0.678 0.000 2.409 265 V HA 0.332 4.452 4.120 -0.000 0.000 0.290 265 V C -2.153 173.521 176.094 -0.699 0.000 1.017 265 V CA -1.781 60.240 62.300 -0.464 0.000 0.841 265 V CB 1.427 33.182 31.823 -0.112 0.000 1.003 265 V HN 0.644 nan 8.190 nan 0.000 0.426 266 P HA 0.131 nan 4.420 nan 0.000 0.269 266 P C 0.240 177.550 177.300 0.017 0.000 1.215 266 P CA -0.025 62.922 63.100 -0.254 0.000 0.780 266 P CB 1.128 32.869 31.700 0.069 0.000 0.898 267 D N 1.283 121.722 120.400 0.066 0.000 2.228 267 D HA -0.197 4.442 4.640 -0.000 0.000 0.203 267 D C 1.668 178.050 176.300 0.136 0.000 0.988 267 D CA 1.526 55.616 54.000 0.150 0.000 0.864 267 D CB -0.105 40.735 40.800 0.067 0.000 0.928 267 D HN 0.653 nan 8.370 nan 0.000 0.469 268 E N 0.122 120.380 120.200 0.096 0.000 2.274 268 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 268 E C 0.727 177.375 176.600 0.081 0.000 0.996 268 E CA 0.830 57.278 56.400 0.081 0.000 0.840 268 E CB 0.049 29.795 29.700 0.078 0.000 0.772 268 E HN 0.021 nan 8.360 nan 0.000 0.491 269 D N 0.607 121.055 120.400 0.080 0.000 2.363 269 D HA 0.069 4.709 4.640 -0.000 0.000 0.214 269 D C -0.159 176.126 176.300 -0.026 0.000 1.093 269 D CA -0.002 54.027 54.000 0.049 0.000 0.837 269 D CB 0.152 40.980 40.800 0.047 0.000 0.948 269 D HN 0.062 nan 8.370 nan 0.000 0.507 270 R N 1.196 121.675 120.500 -0.035 0.000 2.308 270 R HA 0.289 4.629 4.340 -0.000 0.000 0.305 270 R C -0.213 175.915 176.300 -0.287 0.000 1.053 270 R CA -0.499 55.433 56.100 -0.280 0.000 0.957 270 R CB 0.670 30.820 30.300 -0.249 0.000 1.022 270 R HN -0.019 nan 8.270 nan 0.000 0.461 271 L N 7.945 128.910 121.223 -0.429 0.000 2.433 271 L HA 0.149 4.488 4.340 -0.000 0.000 0.275 271 L C -1.171 175.540 176.870 -0.266 0.000 1.128 271 L CA -1.285 53.370 54.840 -0.307 0.000 0.875 271 L CB 1.005 42.862 42.059 -0.338 0.000 1.171 271 L HN 0.519 nan 8.230 nan 0.000 0.463 272 P HA -0.059 nan 4.420 nan 0.000 0.229 272 P C 1.268 178.513 177.300 -0.093 0.000 1.160 272 P CA 0.757 63.794 63.100 -0.105 0.000 0.777 272 P CB 0.382 32.049 31.700 -0.056 0.000 0.814 273 G N 0.380 109.122 108.800 -0.096 0.000 2.408 273 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.215 273 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.215 273 G C 0.526 175.386 174.900 -0.067 0.000 1.156 273 G CA 0.138 45.198 45.100 -0.067 0.000 0.793 273 G HN 0.174 nan 8.290 nan 0.000 0.535 274 V N 2.209 122.061 119.914 -0.105 0.000 2.387 274 V HA 0.270 4.390 4.120 -0.000 0.000 0.260 274 V C 0.342 176.372 176.094 -0.107 0.000 1.054 274 V CA -0.185 62.066 62.300 -0.080 0.000 0.967 274 V CB 0.975 32.736 31.823 -0.102 0.000 1.036 274 V HN 0.219 nan 8.190 nan 0.000 0.481 275 N N 1.719 120.392 118.700 -0.046 0.000 2.166 275 N HA 0.101 4.841 4.740 -0.000 0.000 0.222 275 N C 0.413 175.927 175.510 0.007 0.000 1.282 275 N CA 0.477 53.505 53.050 -0.036 0.000 0.890 275 N CB 1.194 39.666 38.487 -0.026 0.000 1.114 275 N HN 0.748 nan 8.380 nan 0.000 0.494 276 S N -1.359 114.360 115.700 0.031 0.000 2.720 276 S HA 0.371 4.840 4.470 -0.000 0.000 0.287 276 S C 0.383 175.061 174.600 0.131 0.000 1.168 276 S CA -0.640 57.608 58.200 0.079 0.000 0.832 276 S CB 0.809 64.049 63.200 0.065 0.000 1.166 276 S HN -0.066 nan 8.310 nan 0.000 0.493 277 F N 1.469 121.424 119.950 0.010 0.000 2.365 277 F HA 0.048 4.575 4.527 -0.000 0.000 0.300 277 F C 2.379 178.180 175.800 0.001 0.000 1.090 277 F CA 1.406 59.409 58.000 0.005 0.000 1.408 277 F CB -0.519 38.466 39.000 -0.025 0.000 1.060 277 F HN 0.680 nan 8.300 nan 0.000 0.534 278 Q N -0.189 119.574 119.800 -0.061 0.000 2.226 278 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 278 Q C 1.580 177.484 176.000 -0.159 0.000 0.975 278 Q CA 1.508 57.228 55.803 -0.137 0.000 0.866 278 Q CB -0.253 28.458 28.738 -0.046 0.000 0.915 278 Q HN 0.429 nan 8.270 nan 0.000 0.440 279 D N -0.167 120.172 120.400 -0.102 0.000 2.178 279 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 279 D C 1.692 177.942 176.300 -0.083 0.000 0.974 279 D CA 1.165 55.124 54.000 -0.068 0.000 0.841 279 D CB -0.120 40.667 40.800 -0.022 0.000 0.953 279 D HN 0.177 nan 8.370 nan 0.000 0.478 280 T N 0.299 114.762 114.554 -0.152 0.000 2.833 280 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 280 T C 1.578 176.139 174.700 -0.231 0.000 1.054 280 T CA 0.703 62.714 62.100 -0.148 0.000 1.135 280 T CB -0.120 68.565 68.868 -0.305 0.000 0.869 280 T HN -0.039 nan 8.240 nan 0.000 0.466 281 S N 1.129 116.619 115.700 -0.350 0.000 3.048 281 S HA 0.083 4.553 4.470 -0.000 0.000 0.254 281 S C 1.264 175.782 174.600 -0.137 0.000 1.084 281 S CA 0.187 58.231 58.200 -0.260 0.000 1.195 281 S CB -0.140 62.893 63.200 -0.278 0.000 0.870 281 S HN 0.357 nan 8.310 nan 0.000 0.483 282 K N -0.654 119.686 120.400 -0.100 0.000 2.548 282 K HA 0.232 4.552 4.320 -0.000 0.000 0.209 282 K C 1.550 178.124 176.600 -0.043 0.000 1.420 282 K CA 0.320 56.579 56.287 -0.047 0.000 0.985 282 K CB -0.298 32.184 32.500 -0.030 0.000 1.249 282 K HN 0.226 nan 8.250 nan 0.000 0.557 283 V N 2.307 122.182 119.914 -0.063 0.000 2.407 283 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 283 V C 2.354 178.343 176.094 -0.175 0.000 1.041 283 V CA 1.311 63.554 62.300 -0.096 0.000 1.040 283 V CB -0.467 31.326 31.823 -0.049 0.000 0.671 283 V HN 0.104 nan 8.190 nan 0.000 0.455 284 L N 0.416 121.535 121.223 -0.174 0.000 2.127 284 L HA -0.169 4.170 4.340 -0.000 0.000 0.211 284 L C 2.697 179.466 176.870 -0.169 0.000 1.089 284 L CA 1.373 56.095 54.840 -0.196 0.000 0.757 284 L CB -0.776 41.194 42.059 -0.149 0.000 0.899 284 L HN 0.370 nan 8.230 nan 0.000 0.434 285 A N -0.374 122.367 122.820 -0.132 0.000 1.978 285 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 285 A C 2.253 179.690 177.584 -0.244 0.000 1.170 285 A CA 1.965 53.935 52.037 -0.112 0.000 0.636 285 A CB -0.576 18.424 19.000 -0.001 0.000 0.810 285 A HN 0.249 nan 8.150 nan 0.000 0.448 286 V N -1.341 118.392 119.914 -0.303 0.000 2.500 286 V HA -0.091 4.029 4.120 -0.000 0.000 0.243 286 V C 2.627 178.539 176.094 -0.304 0.000 1.039 286 V CA 1.766 63.805 62.300 -0.435 0.000 1.053 286 V CB -0.575 31.026 31.823 -0.369 0.000 0.695 286 V HN 0.602 nan 8.190 nan 0.000 0.463 287 S N -0.034 115.508 115.700 -0.263 0.000 2.383 287 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 287 S C 2.220 176.705 174.600 -0.191 0.000 1.030 287 S CA 1.911 59.963 58.200 -0.247 0.000 1.002 287 S CB -0.276 62.724 63.200 -0.333 0.000 0.829 287 S HN 0.511 nan 8.310 nan 0.000 0.467 288 R N -0.016 120.378 120.500 -0.177 0.000 2.090 288 R HA 0.007 4.347 4.340 -0.000 0.000 0.228 288 R C 2.121 178.358 176.300 -0.106 0.000 1.110 288 R CA 1.356 57.374 56.100 -0.137 0.000 0.973 288 R CB -0.297 29.933 30.300 -0.117 0.000 0.869 288 R HN 0.362 nan 8.270 nan 0.000 0.440 289 V N 0.746 120.586 119.914 -0.123 0.000 2.343 289 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 289 V C 2.247 178.364 176.094 0.040 0.000 1.051 289 V CA 1.606 63.871 62.300 -0.059 0.000 1.036 289 V CB -0.307 31.416 31.823 -0.167 0.000 0.654 289 V HN 0.319 nan 8.190 nan 0.000 0.451 290 M N -0.586 118.981 119.600 -0.056 0.000 2.156 290 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 290 M C 1.985 178.314 176.300 0.049 0.000 1.067 290 M CA 1.515 56.802 55.300 -0.021 0.000 1.131 290 M CB -0.414 32.125 32.600 -0.102 0.000 1.368 290 M HN 0.133 nan 8.290 nan 0.000 0.416 291 V N -0.009 119.892 119.914 -0.022 0.000 2.407 291 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 291 V C 2.427 178.506 176.094 -0.025 0.000 1.055 291 V CA 1.753 64.021 62.300 -0.053 0.000 1.049 291 V CB -1.393 30.317 31.823 -0.187 0.000 0.662 291 V HN 0.573 nan 8.190 nan 0.000 0.455 292 A N -1.525 121.289 122.820 -0.010 0.000 2.076 292 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 292 A C 1.834 179.391 177.584 -0.045 0.000 1.160 292 A CA 1.748 53.766 52.037 -0.031 0.000 0.653 292 A CB -0.773 18.206 19.000 -0.036 0.000 0.801 292 A HN 0.715 nan 8.150 nan 0.000 0.455 293 W N -0.173 121.086 121.300 -0.069 0.000 3.003 293 W HA 0.088 4.748 4.660 0.000 0.000 0.257 293 W C 2.392 178.905 176.519 -0.010 0.000 1.308 293 W CA 0.741 58.054 57.345 -0.054 0.000 1.529 293 W CB 0.044 29.457 29.460 -0.077 0.000 1.115 293 W HN 0.440 nan 8.180 nan 0.000 0.659 294 Q N 0.299 120.200 119.800 0.169 0.000 2.020 294 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 294 Q C -0.414 175.649 176.000 0.105 0.000 0.982 294 Q CA 1.672 57.558 55.803 0.139 0.000 0.838 294 Q CB -1.583 27.226 28.738 0.118 0.000 0.899 294 Q HN 0.137 nan 8.270 nan 0.000 0.423 295 P HA -0.159 nan 4.420 nan 0.000 0.216 295 P C 1.073 178.394 177.300 0.034 0.000 1.150 295 P CA 1.184 64.307 63.100 0.039 0.000 0.837 295 P CB -0.103 31.599 31.700 0.004 0.000 0.786 296 I N -0.722 119.836 120.570 -0.021 0.000 2.151 296 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 296 I C 2.505 178.687 176.117 0.109 0.000 1.080 296 I CA 2.018 63.293 61.300 -0.042 0.000 1.339 296 I CB -1.356 36.445 38.000 -0.332 0.000 1.039 296 I HN 0.027 nan 8.210 nan 0.000 0.409 297 G N 1.134 110.036 108.800 0.170 0.000 2.434 297 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 297 G HA3 -0.180 3.780 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 0.717 45.943 45.100 0.210 0.000 0.788 297 G HN 0.304 nan 8.290 nan 0.000 0.539 298 I N 1.169 121.830 120.570 0.151 0.000 2.118 298 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 298 I C 3.073 179.277 176.117 0.146 0.000 1.070 298 I CA 1.566 62.952 61.300 0.143 0.000 1.327 298 I CB -0.315 37.756 38.000 0.118 0.000 1.034 298 I HN 0.103 nan 8.210 nan 0.000 0.405 299 S N 0.292 116.067 115.700 0.125 0.000 2.383 299 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 299 S C 1.998 176.697 174.600 0.166 0.000 1.030 299 S CA 1.401 59.675 58.200 0.123 0.000 1.002 299 S CB -0.275 62.976 63.200 0.084 0.000 0.829 299 S HN 0.344 nan 8.310 nan 0.000 0.467 300 M N 0.931 120.639 119.600 0.180 0.000 2.080 300 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 300 M C 2.571 179.024 176.300 0.256 0.000 1.068 300 M CA 1.696 57.124 55.300 0.214 0.000 1.109 300 M CB -1.118 31.618 32.600 0.227 0.000 1.342 300 M HN 0.488 nan 8.290 nan 0.000 0.405 301 G N 0.673 109.629 108.800 0.259 0.000 2.446 301 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 301 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 301 G C 1.444 176.443 174.900 0.165 0.000 1.168 301 G CA 0.847 46.122 45.100 0.291 0.000 0.771 301 G HN 0.412 nan 8.290 nan 0.000 0.551 302 I N -0.718 119.942 120.570 0.150 0.000 2.194 302 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 302 I C 2.457 178.628 176.117 0.091 0.000 1.093 302 I CA 1.467 62.823 61.300 0.093 0.000 1.355 302 I CB -0.286 37.773 38.000 0.098 0.000 1.046 302 I HN 0.266 nan 8.210 nan 0.000 0.413 303 Y N 1.920 122.247 120.300 0.044 0.000 2.133 303 Y HA -0.290 4.260 4.550 0.000 0.000 0.287 303 Y C 2.336 178.268 175.900 0.053 0.000 1.134 303 Y CA 1.799 59.924 58.100 0.041 0.000 1.133 303 Y CB -0.284 38.198 38.460 0.036 0.000 0.987 303 Y HN 0.164 nan 8.280 nan 0.000 0.502 304 D N 0.031 120.556 120.400 0.208 0.000 2.149 304 D HA -0.253 4.387 4.640 -0.000 0.000 0.194 304 D C 2.064 178.343 176.300 -0.034 0.000 1.001 304 D CA 1.877 55.941 54.000 0.108 0.000 0.849 304 D CB -0.350 40.529 40.800 0.131 0.000 0.939 304 D HN 0.394 nan 8.370 nan 0.000 0.449 305 M N 0.294 119.838 119.600 -0.093 0.000 2.099 305 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 305 M C 2.213 178.481 176.300 -0.052 0.000 1.067 305 M CA 1.192 56.428 55.300 -0.106 0.000 1.124 305 M CB -0.643 31.881 32.600 -0.128 0.000 1.353 305 M HN 0.028 nan 8.290 nan 0.000 0.410 306 C N -0.479 118.751 119.300 -0.116 0.000 2.429 306 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 306 C C 2.739 177.641 174.990 -0.147 0.000 1.262 306 C CA 1.476 60.411 59.018 -0.139 0.000 1.733 306 C CB -1.560 26.058 27.740 -0.203 0.000 2.010 306 C HN 0.732 nan 8.230 nan 0.000 0.483 307 H N 0.904 119.741 119.070 -0.389 0.000 2.352 307 H HA -0.148 4.408 4.556 0.000 0.000 0.299 307 H C 2.513 177.767 175.328 -0.122 0.000 1.097 307 H CA 2.218 58.065 56.048 -0.335 0.000 1.311 307 H CB -0.246 29.272 29.762 -0.406 0.000 1.377 307 H HN 0.339 nan 8.280 nan 0.000 0.504 308 R N -0.915 119.552 120.500 -0.056 0.000 2.066 308 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 308 R C 2.089 178.368 176.300 -0.035 0.000 1.131 308 R CA 1.618 57.689 56.100 -0.048 0.000 0.955 308 R CB -0.793 29.523 30.300 0.028 0.000 0.851 308 R HN 0.476 nan 8.270 nan 0.000 0.432 309 Y N 1.512 121.762 120.300 -0.084 0.000 2.128 309 Y HA -0.196 4.353 4.550 -0.000 0.000 0.284 309 Y C 2.111 177.968 175.900 -0.070 0.000 1.154 309 Y CA 1.911 59.978 58.100 -0.054 0.000 1.149 309 Y CB -0.219 38.196 38.460 -0.076 0.000 0.976 309 Y HN 0.057 nan 8.280 nan 0.000 0.505 310 L N 0.034 121.304 121.223 0.079 0.000 2.362 310 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 310 L C 2.316 179.144 176.870 -0.071 0.000 1.134 310 L CA 1.389 56.240 54.840 0.019 0.000 0.807 310 L CB -0.369 41.684 42.059 -0.010 0.000 0.927 310 L HN 0.163 nan 8.230 nan 0.000 0.447 311 K N -0.298 120.015 120.400 -0.144 0.000 2.323 311 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 311 K C 1.727 178.254 176.600 -0.122 0.000 1.043 311 K CA 0.340 56.536 56.287 -0.152 0.000 0.997 311 K CB 0.421 32.782 32.500 -0.232 0.000 0.807 311 K HN 0.283 nan 8.250 nan 0.000 0.497 312 E N -0.082 120.030 120.200 -0.147 0.000 2.099 312 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 312 E C 0.376 176.865 176.600 -0.186 0.000 0.962 312 E CA 0.008 56.318 56.400 -0.150 0.000 0.826 312 E CB 0.323 29.936 29.700 -0.145 0.000 0.788 312 E HN -0.061 nan 8.360 nan 0.000 0.461 313 R N 2.455 122.779 120.500 -0.293 0.000 2.401 313 R HA 0.106 4.446 4.340 -0.000 0.000 0.299 313 R C -0.790 175.456 176.300 -0.090 0.000 1.064 313 R CA 0.478 56.427 56.100 -0.253 0.000 1.000 313 R CB 0.256 30.304 30.300 -0.420 0.000 0.973 313 R HN 0.004 nan 8.270 nan 0.000 0.438 314 K N 3.256 123.617 120.400 -0.065 0.000 2.221 314 K HA 0.285 4.605 4.320 -0.000 0.000 0.258 314 K C -0.639 175.979 176.600 0.031 0.000 0.944 314 K CA -0.756 55.535 56.287 0.007 0.000 0.823 314 K CB 1.810 34.297 32.500 -0.022 0.000 1.113 314 K HN 0.320 nan 8.250 nan 0.000 0.431 315 Q N 1.392 121.276 119.800 0.140 0.000 2.309 315 Q HA 0.333 4.673 4.340 -0.000 0.000 0.273 315 Q C -1.259 174.953 176.000 0.353 0.000 1.040 315 Q CA -0.467 55.405 55.803 0.115 0.000 0.834 315 Q CB 0.887 29.683 28.738 0.097 0.000 1.345 315 Q HN 0.590 nan 8.270 nan 0.000 0.414 316 F N 1.751 121.749 119.950 0.080 0.000 3.034 316 F HA -0.203 4.324 4.527 -0.001 0.000 0.286 316 F C 1.060 176.939 175.800 0.132 0.000 0.804 316 F CA 1.341 59.416 58.000 0.125 0.000 1.161 316 F CB -1.506 37.616 39.000 0.203 0.000 1.317 316 F HN 0.903 nan 8.300 nan 0.000 0.453 317 G N -0.644 108.264 108.800 0.179 0.000 2.182 317 G HA2 0.261 4.221 3.960 -0.000 0.000 0.248 317 G HA3 0.261 4.221 3.960 -0.000 0.000 0.248 317 G C -0.039 174.916 174.900 0.091 0.000 1.042 317 G CA 0.194 45.355 45.100 0.101 0.000 0.775 317 G HN 1.840 nan 8.290 nan 0.000 0.501 318 A N -1.064 121.839 122.820 0.138 0.000 2.605 318 A HA 0.861 5.181 4.320 -0.000 0.000 0.294 318 A C -3.036 174.620 177.584 0.119 0.000 1.062 318 A CA -1.020 51.046 52.037 0.048 0.000 0.682 318 A CB 1.468 20.390 19.000 -0.130 0.000 1.278 318 A HN 0.117 nan 8.150 nan 0.000 0.410 319 P HA 0.233 nan 4.420 nan 0.000 0.269 319 P C 0.962 178.364 177.300 0.171 0.000 1.209 319 P CA -0.181 62.950 63.100 0.051 0.000 0.776 319 P CB 0.428 32.112 31.700 -0.028 0.000 0.876 320 L N 2.021 123.372 121.223 0.213 0.000 2.129 320 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 320 L C 2.142 179.185 176.870 0.289 0.000 1.087 320 L CA 1.884 56.923 54.840 0.332 0.000 0.757 320 L CB -0.961 41.197 42.059 0.167 0.000 0.896 320 L HN 0.428 nan 8.230 nan 0.000 0.434 321 A N -0.240 122.639 122.820 0.097 0.000 2.248 321 A HA 0.102 4.422 4.320 -0.000 0.000 0.210 321 A C 2.273 179.850 177.584 -0.012 0.000 1.174 321 A CA 1.218 53.269 52.037 0.022 0.000 0.750 321 A CB -0.432 18.529 19.000 -0.064 0.000 0.780 321 A HN 0.401 nan 8.150 nan 0.000 0.478 322 A N -1.141 121.636 122.820 -0.071 0.000 2.195 322 A HA 0.472 4.792 4.320 -0.000 0.000 0.210 322 A C 0.277 177.660 177.584 -0.336 0.000 1.165 322 A CA -0.159 51.723 52.037 -0.259 0.000 0.806 322 A CB -0.145 18.603 19.000 -0.420 0.000 0.847 322 A HN 0.338 nan 8.150 nan 0.000 0.482 323 F N 0.419 120.351 119.950 -0.031 0.000 2.404 323 F HA 0.277 4.805 4.527 0.001 0.000 0.345 323 F C 1.545 177.322 175.800 -0.038 0.000 1.110 323 F CA -0.430 57.544 58.000 -0.044 0.000 1.130 323 F CB 0.899 39.865 39.000 -0.055 0.000 1.129 323 F HN 0.154 nan 8.300 nan 0.000 0.500 324 Q N 1.675 121.546 119.800 0.119 0.000 2.062 324 Q HA -0.228 4.112 4.340 -0.000 0.000 0.209 324 Q C 2.085 178.121 176.000 0.058 0.000 0.996 324 Q CA 1.851 57.689 55.803 0.059 0.000 0.859 324 Q CB -0.277 28.483 28.738 0.035 0.000 0.920 324 Q HN 0.690 nan 8.270 nan 0.000 0.415 325 L N 0.701 121.961 121.223 0.061 0.000 2.043 325 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 325 L C 1.846 178.733 176.870 0.029 0.000 1.075 325 L CA 1.696 56.552 54.840 0.027 0.000 0.752 325 L CB -0.438 41.618 42.059 -0.004 0.000 0.891 325 L HN 0.269 nan 8.230 nan 0.000 0.432 326 N N -1.544 117.193 118.700 0.060 0.000 2.244 326 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 326 N C 1.805 177.340 175.510 0.043 0.000 1.016 326 N CA 0.593 53.673 53.050 0.050 0.000 0.866 326 N CB -0.002 38.540 38.487 0.092 0.000 0.980 326 N HN 0.458 nan 8.380 nan 0.000 0.430 327 Q N 0.767 120.597 119.800 0.050 0.000 2.046 327 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 327 Q C 2.040 178.060 176.000 0.033 0.000 0.975 327 Q CA 1.027 56.852 55.803 0.036 0.000 0.836 327 Q CB -0.097 28.658 28.738 0.029 0.000 0.896 327 Q HN 0.433 nan 8.270 nan 0.000 0.428 328 Q N 0.699 120.516 119.800 0.028 0.000 2.135 328 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 328 Q C 1.806 177.820 176.000 0.023 0.000 0.981 328 Q CA 1.095 56.912 55.803 0.024 0.000 0.856 328 Q CB 0.213 28.962 28.738 0.018 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.305 120.717 120.400 0.019 0.000 2.057 329 K HA -0.148 4.172 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 0.662 56.958 56.287 0.014 0.000 0.935 329 K CB -0.353 32.145 32.500 -0.004 0.000 0.715 329 K HN 0.202 nan 8.250 nan 0.000 0.439 330 L N 1.425 122.675 121.223 0.046 0.000 2.056 330 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 330 L C 2.256 179.228 176.870 0.170 0.000 1.078 330 L CA 1.233 56.130 54.840 0.094 0.000 0.749 330 L CB -0.395 41.697 42.059 0.055 0.000 0.901 330 L HN 0.031 nan 8.230 nan 0.000 0.433 331 V N -3.541 116.426 119.914 0.089 0.000 2.667 331 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 331 V C 2.184 178.293 176.094 0.025 0.000 1.065 331 V CA 1.409 63.734 62.300 0.042 0.000 1.083 331 V CB -0.968 30.862 31.823 0.012 0.000 0.692 331 V HN 0.561 nan 8.190 nan 0.000 0.468 332 Q N -0.267 119.556 119.800 0.037 0.000 2.119 332 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 332 Q C 2.284 178.301 176.000 0.028 0.000 0.972 332 Q CA 2.188 58.007 55.803 0.026 0.000 0.847 332 Q CB -0.246 28.505 28.738 0.021 0.000 0.903 332 Q HN 0.653 nan 8.270 nan 0.000 0.433 333 M N -0.267 119.373 119.600 0.068 0.000 2.099 333 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 333 M C 2.103 178.415 176.300 0.021 0.000 1.067 333 M CA 1.007 56.367 55.300 0.099 0.000 1.124 333 M CB -0.247 32.486 32.600 0.221 0.000 1.353 333 M HN 0.211 nan 8.290 nan 0.000 0.410 334 L N 0.547 121.744 121.223 -0.044 0.000 2.042 334 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 334 L C 2.311 179.044 176.870 -0.228 0.000 1.076 334 L CA 2.061 56.682 54.840 -0.365 0.000 0.749 334 L CB -1.176 40.624 42.059 -0.430 0.000 0.893 334 L HN 0.272 nan 8.230 nan 0.000 0.432 335 G N -1.147 107.585 108.800 -0.114 0.000 2.404 335 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 335 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 335 G C 1.456 176.347 174.900 -0.016 0.000 1.174 335 G CA 0.859 45.919 45.100 -0.067 0.000 0.780 335 G HN 0.550 nan 8.290 nan 0.000 0.537 336 N N -0.088 118.612 118.700 0.001 0.000 2.149 336 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 336 N C 2.225 177.758 175.510 0.038 0.000 1.019 336 N CA 0.944 54.006 53.050 0.021 0.000 0.857 336 N CB -0.050 38.425 38.487 -0.020 0.000 0.997 336 N HN 0.179 nan 8.380 nan 0.000 0.426 337 V N 1.633 121.548 119.914 0.001 0.000 2.270 337 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 337 V C 2.292 178.446 176.094 0.100 0.000 1.043 337 V CA 1.467 63.785 62.300 0.029 0.000 1.014 337 V CB -0.473 31.330 31.823 -0.034 0.000 0.645 337 V HN 0.308 nan 8.190 nan 0.000 0.447 338 Q N 0.235 120.067 119.800 0.053 0.000 2.096 338 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 338 Q C 2.369 178.506 176.000 0.228 0.000 0.982 338 Q CA 2.133 58.038 55.803 0.170 0.000 0.850 338 Q CB -0.981 27.548 28.738 -0.348 0.000 0.901 338 Q HN 0.648 nan 8.270 nan 0.000 0.422 339 A N 0.703 123.625 122.820 0.170 0.000 1.873 339 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 339 A C 2.245 179.973 177.584 0.240 0.000 1.186 339 A CA 1.456 53.629 52.037 0.227 0.000 0.616 339 A CB -0.539 18.655 19.000 0.323 0.000 0.823 339 A HN 0.297 nan 8.150 nan 0.000 0.442 340 M N -2.055 117.703 119.600 0.265 0.000 2.106 340 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 340 M C 2.125 178.381 176.300 -0.072 0.000 1.068 340 M CA 1.958 57.365 55.300 0.179 0.000 1.100 340 M CB -0.412 32.236 32.600 0.079 0.000 1.351 340 M HN 0.585 nan 8.290 nan 0.000 0.404 341 F N 1.062 120.862 119.950 -0.250 0.000 2.060 341 F HA -0.211 4.316 4.527 -0.000 0.000 0.295 341 F C 1.951 177.532 175.800 -0.366 0.000 1.120 341 F CA 1.590 59.277 58.000 -0.521 0.000 1.205 341 F CB -0.229 38.233 39.000 -0.897 0.000 0.986 341 F HN -0.054 nan 8.300 nan 0.000 0.470 342 L N -0.514 120.763 121.223 0.090 0.000 2.081 342 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 342 L C 2.458 179.420 176.870 0.153 0.000 1.080 342 L CA 1.438 56.405 54.840 0.211 0.000 0.754 342 L CB -0.655 41.553 42.059 0.248 0.000 0.893 342 L HN 0.315 nan 8.230 nan 0.000 0.433 343 M N 0.135 119.727 119.600 -0.014 0.000 2.067 343 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 343 M C 2.109 178.322 176.300 -0.144 0.000 1.069 343 M CA 2.128 57.373 55.300 -0.093 0.000 1.117 343 M CB -0.910 31.620 32.600 -0.117 0.000 1.334 343 M HN 0.162 nan 8.290 nan 0.000 0.407 344 G N -1.701 106.880 108.800 -0.365 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 1.311 176.221 174.900 0.017 0.000 1.150 344 G CA 0.794 45.569 45.100 -0.542 0.000 0.776 344 G HN 0.685 nan 8.290 nan 0.000 0.542 345 W N 1.646 122.826 121.300 -0.201 0.000 2.355 345 W HA -0.085 4.575 4.660 -0.000 0.000 0.309 345 W C 2.627 179.182 176.519 0.060 0.000 1.206 345 W CA 1.704 59.082 57.345 0.054 0.000 1.284 345 W CB -0.107 29.309 29.460 -0.074 0.000 1.145 345 W HN 0.139 nan 8.180 nan 0.000 0.502 346 R N 0.708 121.149 120.500 -0.099 0.000 2.081 346 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 346 R C 2.159 178.299 176.300 -0.267 0.000 1.131 346 R CA 2.046 57.932 56.100 -0.357 0.000 0.960 346 R CB -1.385 28.878 30.300 -0.062 0.000 0.856 346 R HN 0.375 nan 8.270 nan 0.000 0.436 347 L N -0.177 120.976 121.223 -0.118 0.000 2.042 347 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 347 L C 2.140 178.984 176.870 -0.042 0.000 1.076 347 L CA 1.861 56.666 54.840 -0.058 0.000 0.749 347 L CB -0.624 41.430 42.059 -0.008 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 -0.038 0.000 2.432 348 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 348 C C 2.551 177.466 174.990 -0.125 0.000 1.249 348 C CA 0.433 59.414 59.018 -0.061 0.000 1.725 348 C CB -0.971 26.712 27.740 -0.094 0.000 2.028 348 C HN 0.422 nan 8.230 nan 0.000 0.477 349 K N 0.831 121.038 120.400 -0.321 0.000 2.442 349 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 349 K C 1.663 178.138 176.600 -0.208 0.000 1.042 349 K CA 0.798 56.883 56.287 -0.338 0.000 0.958 349 K CB -0.406 31.715 32.500 -0.631 0.000 0.766 349 K HN 0.561 nan 8.250 nan 0.000 0.474 350 L N -0.977 120.155 121.223 -0.151 0.000 2.127 350 L HA -0.094 4.246 4.340 -0.000 0.000 0.203 350 L C 2.335 179.182 176.870 -0.038 0.000 1.080 350 L CA 0.724 55.511 54.840 -0.089 0.000 0.768 350 L CB -0.389 41.628 42.059 -0.069 0.000 0.924 350 L HN 0.034 nan 8.230 nan 0.000 0.444 351 Y N 0.877 121.108 120.300 -0.115 0.000 2.242 351 Y HA -0.244 4.306 4.550 0.000 0.000 0.291 351 Y C 2.510 178.353 175.900 -0.094 0.000 1.137 351 Y CA 1.689 59.731 58.100 -0.096 0.000 1.181 351 Y CB 0.055 38.461 38.460 -0.091 0.000 0.989 351 Y HN 0.165 nan 8.280 nan 0.000 0.527 352 E N -0.846 119.315 120.200 -0.066 0.000 2.072 352 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 352 E C 1.915 178.419 176.600 -0.160 0.000 0.985 352 E CA 1.834 58.163 56.400 -0.117 0.000 0.801 352 E CB -0.063 29.595 29.700 -0.069 0.000 0.750 352 E HN 0.602 nan 8.360 nan 0.000 0.452 353 T N -2.989 111.481 114.554 -0.141 0.000 3.118 353 T HA 0.118 4.468 4.350 -0.000 0.000 0.260 353 T C 1.473 176.085 174.700 -0.145 0.000 1.139 353 T CA 0.514 62.539 62.100 -0.124 0.000 1.085 353 T CB 0.229 69.037 68.868 -0.101 0.000 0.934 353 T HN 0.301 nan 8.240 nan 0.000 0.518 354 G N 2.239 110.914 108.800 -0.208 0.000 2.153 354 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.252 354 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.252 354 G C 0.482 175.292 174.900 -0.150 0.000 0.994 354 G CA 0.400 45.360 45.100 -0.232 0.000 0.698 354 G HN 0.807 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 0.537 4.877 4.340 -0.000 0.000 0.209 355 Q C 1.074 177.041 176.000 -0.056 0.000 0.848 355 Q CA -0.438 55.319 55.803 -0.077 0.000 0.974 355 Q CB 0.498 29.195 28.738 -0.067 0.000 1.115 355 Q HN 0.558 nan 8.270 nan 0.000 0.494 356 M N 2.832 122.406 119.600 -0.044 0.000 2.217 356 M HA 0.207 4.687 4.480 -0.000 0.000 0.354 356 M C -0.723 175.577 176.300 0.001 0.000 1.225 356 M CA 0.297 55.596 55.300 -0.003 0.000 1.137 356 M CB 1.143 33.784 32.600 0.069 0.000 1.576 356 M HN 0.289 nan 8.290 nan 0.000 0.461 357 T N 2.075 116.624 114.554 -0.008 0.000 2.887 357 T HA 0.499 4.849 4.350 -0.000 0.000 0.288 357 T C -2.281 172.412 174.700 -0.013 0.000 1.021 357 T CA -1.780 60.312 62.100 -0.013 0.000 1.000 357 T CB 1.383 70.239 68.868 -0.021 0.000 1.034 357 T HN 0.427 nan 8.240 nan 0.000 0.467 358 P HA -0.173 nan 4.420 nan 0.000 0.220 358 P C 1.779 179.067 177.300 -0.020 0.000 1.155 358 P CA 1.819 64.906 63.100 -0.023 0.000 0.880 358 P CB -0.337 31.346 31.700 -0.027 0.000 0.790 359 G N -0.822 107.968 108.800 -0.016 0.000 2.408 359 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 359 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 359 G C 1.539 176.422 174.900 -0.028 0.000 1.150 359 G CA 0.551 45.642 45.100 -0.016 0.000 0.776 359 G HN 0.318 nan 8.290 nan 0.000 0.542 360 Q N 0.122 119.904 119.800 -0.030 0.000 2.079 360 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 360 Q C 3.003 178.979 176.000 -0.040 0.000 0.974 360 Q CA 1.272 57.052 55.803 -0.039 0.000 0.840 360 Q CB -0.236 28.480 28.738 -0.037 0.000 0.898 360 Q HN 0.470 nan 8.270 nan 0.000 0.430 361 A N 0.231 123.030 122.820 -0.034 0.000 1.930 361 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 361 A C 2.225 179.780 177.584 -0.048 0.000 1.175 361 A CA 1.552 53.565 52.037 -0.041 0.000 0.627 361 A CB -0.401 18.573 19.000 -0.044 0.000 0.815 361 A HN 0.223 nan 8.150 nan 0.000 0.443 362 S N -0.632 115.040 115.700 -0.046 0.000 2.402 362 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 362 S C 1.810 176.370 174.600 -0.067 0.000 1.021 362 S CA 1.262 59.428 58.200 -0.056 0.000 0.974 362 S CB -0.310 62.867 63.200 -0.038 0.000 0.800 362 S HN 0.480 nan 8.310 nan 0.000 0.484 363 L N 2.084 123.277 121.223 -0.051 0.000 2.056 363 L HA 0.087 4.427 4.340 -0.000 0.000 0.207 363 L C 2.205 179.080 176.870 0.009 0.000 1.078 363 L CA 1.842 56.661 54.840 -0.035 0.000 0.749 363 L CB -1.364 40.668 42.059 -0.045 0.000 0.901 363 L HN 0.278 nan 8.230 nan 0.000 0.433 364 G N -0.435 108.355 108.800 -0.017 0.000 2.545 364 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 364 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 364 G C 1.703 176.617 174.900 0.024 0.000 1.218 364 G CA 0.945 46.042 45.100 -0.004 0.000 0.787 364 G HN 0.317 nan 8.290 nan 0.000 0.571 365 K N 1.220 121.605 120.400 -0.025 0.000 2.032 365 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 365 K C 2.824 179.408 176.600 -0.026 0.000 1.048 365 K CA 1.681 57.939 56.287 -0.049 0.000 0.927 365 K CB -0.768 31.675 32.500 -0.095 0.000 0.712 365 K HN 0.205 nan 8.250 nan 0.000 0.441 366 A N 0.380 123.176 122.820 -0.040 0.000 1.851 366 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 366 A C 2.171 179.863 177.584 0.179 0.000 1.195 366 A CA 1.754 53.763 52.037 -0.046 0.000 0.622 366 A CB -1.324 17.497 19.000 -0.298 0.000 0.831 366 A HN 0.655 nan 8.150 nan 0.000 0.444 367 W N 0.422 121.731 121.300 0.015 0.000 2.354 367 W HA -0.173 4.487 4.660 0.000 0.000 0.315 367 W C 1.953 178.502 176.519 0.051 0.000 1.206 367 W CA 2.112 59.500 57.345 0.071 0.000 1.290 367 W CB -0.295 29.173 29.460 0.013 0.000 1.152 367 W HN 0.323 nan 8.180 nan 0.000 0.489 368 I N 0.612 121.347 120.570 0.276 0.000 2.163 368 I HA -0.401 3.769 4.170 -0.000 0.000 0.243 368 I C 2.771 178.861 176.117 -0.045 0.000 1.085 368 I CA 1.957 63.314 61.300 0.095 0.000 1.347 368 I CB -1.026 37.011 38.000 0.063 0.000 1.044 368 I HN 0.072 nan 8.210 nan 0.000 0.408 369 S N -0.600 115.097 115.700 -0.005 0.000 2.383 369 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 369 S C 2.130 176.784 174.600 0.089 0.000 1.030 369 S CA 1.603 59.819 58.200 0.027 0.000 1.002 369 S CB -0.646 62.543 63.200 -0.018 0.000 0.829 369 S HN 0.442 nan 8.310 nan 0.000 0.467 370 S N 1.713 117.425 115.700 0.020 0.000 2.355 370 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 370 S C 1.823 176.308 174.600 -0.191 0.000 1.031 370 S CA 1.011 59.191 58.200 -0.033 0.000 0.993 370 S CB -0.341 62.785 63.200 -0.124 0.000 0.859 370 S HN 0.465 nan 8.310 nan 0.000 0.453 371 K N 1.611 121.791 120.400 -0.366 0.000 2.217 371 K HA 0.261 4.581 4.320 -0.000 0.000 0.202 371 K C 2.186 178.677 176.600 -0.182 0.000 1.051 371 K CA 1.008 57.068 56.287 -0.379 0.000 0.952 371 K CB -1.126 30.977 32.500 -0.662 0.000 0.736 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 A N 1.836 124.586 122.820 -0.118 0.000 1.933 372 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 372 A C 2.242 179.814 177.584 -0.020 0.000 1.175 372 A CA 1.102 53.117 52.037 -0.037 0.000 0.628 372 A CB -0.281 18.716 19.000 -0.004 0.000 0.814 372 A HN 0.158 nan 8.150 nan 0.000 0.444 373 R N -0.353 120.120 120.500 -0.045 0.000 2.073 373 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 373 R C 2.100 178.376 176.300 -0.040 0.000 1.134 373 R CA 1.662 57.715 56.100 -0.079 0.000 0.952 373 R CB -0.451 29.727 30.300 -0.205 0.000 0.850 373 R HN 0.699 nan 8.270 nan 0.000 0.433 374 E N -0.401 119.755 120.200 -0.072 0.000 2.058 374 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 374 E C 1.928 178.519 176.600 -0.016 0.000 0.997 374 E CA 1.829 58.196 56.400 -0.055 0.000 0.801 374 E CB -0.051 29.595 29.700 -0.090 0.000 0.746 374 E HN 0.332 nan 8.360 nan 0.000 0.450 375 T N 0.828 115.375 114.554 -0.012 0.000 2.746 375 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 375 T C 1.975 176.707 174.700 0.053 0.000 1.039 375 T CA 1.213 63.326 62.100 0.023 0.000 1.142 375 T CB -0.193 68.692 68.868 0.028 0.000 0.866 375 T HN 0.236 nan 8.240 nan 0.000 0.444 376 A N 1.024 123.894 122.820 0.083 0.000 1.930 376 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 376 A C 2.566 180.260 177.584 0.184 0.000 1.175 376 A CA 1.923 54.060 52.037 0.166 0.000 0.627 376 A CB -0.992 18.147 19.000 0.231 0.000 0.815 376 A HN 0.442 nan 8.150 nan 0.000 0.443 377 S N -0.432 115.371 115.700 0.171 0.000 2.368 377 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 377 S C 1.943 176.500 174.600 -0.071 0.000 1.030 377 S CA 1.462 59.705 58.200 0.071 0.000 0.999 377 S CB -0.478 62.776 63.200 0.090 0.000 0.844 377 S HN 0.491 nan 8.310 nan 0.000 0.459 378 L N 0.676 121.878 121.223 -0.035 0.000 2.027 378 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 378 L C 2.916 179.738 176.870 -0.081 0.000 1.074 378 L CA 1.213 56.021 54.840 -0.053 0.000 0.745 378 L CB -1.207 40.840 42.059 -0.019 0.000 0.898 378 L HN 0.473 nan 8.230 nan 0.000 0.433 379 G N -0.387 108.377 108.800 -0.060 0.000 2.442 379 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 379 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 379 G C 1.803 176.598 174.900 -0.174 0.000 1.141 379 G CA 0.364 45.411 45.100 -0.089 0.000 0.763 379 G HN 0.141 nan 8.290 nan 0.000 0.554 380 R N 1.315 121.678 120.500 -0.228 0.000 2.075 380 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 380 R C 2.626 178.726 176.300 -0.334 0.000 1.126 380 R CA 1.849 57.729 56.100 -0.366 0.000 0.963 380 R CB -0.372 29.497 30.300 -0.718 0.000 0.858 380 R HN 0.714 nan 8.270 nan 0.000 0.435 381 E N -0.248 119.789 120.200 -0.272 0.000 2.285 381 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 381 E C 2.100 178.590 176.600 -0.184 0.000 0.997 381 E CA 0.426 56.697 56.400 -0.215 0.000 0.845 381 E CB -0.317 29.283 29.700 -0.167 0.000 0.782 381 E HN 0.284 nan 8.360 nan 0.000 0.491 382 L N 0.183 121.299 121.223 -0.179 0.000 2.141 382 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 382 L C 1.855 178.605 176.870 -0.200 0.000 1.094 382 L CA 0.579 55.330 54.840 -0.148 0.000 0.763 382 L CB -0.041 41.945 42.059 -0.121 0.000 0.908 382 L HN 0.213 nan 8.230 nan 0.000 0.437 383 L N -0.912 120.095 121.223 -0.361 0.000 2.558 383 L HA 0.157 4.497 4.340 -0.000 0.000 0.225 383 L C 1.614 178.224 176.870 -0.432 0.000 1.128 383 L CA 1.004 55.457 54.840 -0.645 0.000 0.868 383 L CB -0.658 40.822 42.059 -0.965 0.000 1.006 383 L HN 0.316 nan 8.230 nan 0.000 0.454 384 G N -0.120 108.515 108.800 -0.276 0.000 2.602 384 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.310 384 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.310 384 G C 1.157 175.923 174.900 -0.223 0.000 1.183 384 G CA 0.375 45.357 45.100 -0.197 0.000 0.979 384 G HN 0.423 nan 8.290 nan 0.000 0.545 385 G N 0.426 109.108 108.800 -0.197 0.000 2.453 385 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 385 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 385 G C 1.434 176.170 174.900 -0.274 0.000 1.201 385 G CA 1.477 46.462 45.100 -0.191 0.000 0.784 385 G HN 0.863 nan 8.290 nan 0.000 0.545 386 N N 0.990 119.421 118.700 -0.449 0.000 2.635 386 N HA 0.050 4.790 4.740 -0.000 0.000 0.191 386 N C 1.962 177.164 175.510 -0.514 0.000 1.155 386 N CA 0.384 53.068 53.050 -0.610 0.000 0.927 386 N CB 0.004 37.709 38.487 -1.303 0.000 0.976 386 N HN 0.344 nan 8.380 nan 0.000 0.448 387 G N 1.044 109.583 108.800 -0.434 0.000 2.598 387 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 387 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 387 G C 1.236 175.990 174.900 -0.244 0.000 1.131 387 G CA 0.168 45.053 45.100 -0.358 0.000 0.785 387 G HN 0.520 nan 8.290 nan 0.000 0.539 388 I N -2.528 117.934 120.570 -0.179 0.000 4.018 388 I HA 0.483 4.653 4.170 -0.000 0.000 0.337 388 I C -0.381 175.721 176.117 -0.025 0.000 1.327 388 I CA -0.530 60.717 61.300 -0.089 0.000 1.100 388 I CB 0.433 38.396 38.000 -0.062 0.000 1.025 388 I HN -0.241 nan 8.210 nan 0.000 0.396 389 L N 1.814 123.021 121.223 -0.027 0.000 2.275 389 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 389 L C 1.406 178.300 176.870 0.040 0.000 1.046 389 L CA 0.095 54.967 54.840 0.054 0.000 0.805 389 L CB 1.644 43.793 42.059 0.150 0.000 1.193 389 L HN 0.183 nan 8.230 nan 0.000 0.426 390 A N 1.913 124.733 122.820 0.000 0.000 2.121 390 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 390 A C 1.621 179.155 177.584 -0.083 0.000 1.154 390 A CA 1.045 53.012 52.037 -0.116 0.000 0.679 390 A CB -0.413 18.516 19.000 -0.118 0.000 0.795 390 A HN 0.831 nan 8.150 nan 0.000 0.458 391 D N -0.852 119.522 120.400 -0.042 0.000 2.221 391 D HA -0.119 4.521 4.640 -0.000 0.000 0.204 391 D C 0.324 176.414 176.300 -0.350 0.000 0.982 391 D CA 1.157 55.048 54.000 -0.183 0.000 0.857 391 D CB -0.126 40.541 40.800 -0.222 0.000 0.934 391 D HN 0.574 nan 8.370 nan 0.000 0.475 392 F N -0.239 119.647 119.950 -0.105 0.000 2.684 392 F HA 0.158 4.685 4.527 0.000 0.000 0.298 392 F C 1.373 177.082 175.800 -0.150 0.000 1.120 392 F CA -0.334 57.589 58.000 -0.128 0.000 1.332 392 F CB 0.354 39.239 39.000 -0.192 0.000 0.986 392 F HN -0.266 nan 8.300 nan 0.000 0.524 393 L N -1.416 119.788 121.223 -0.032 0.000 3.363 393 L HA -0.450 3.890 4.340 -0.000 0.000 0.346 393 L C 1.506 178.336 176.870 -0.067 0.000 3.762 393 L CA 2.319 57.127 54.840 -0.054 0.000 1.796 393 L CB -1.485 40.561 42.059 -0.022 0.000 3.000 393 L HN -0.017 nan 8.230 nan 0.000 0.779 394 V N 0.179 120.063 119.914 -0.050 0.000 2.278 394 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 394 V C 2.778 178.855 176.094 -0.028 0.000 1.062 394 V CA 3.114 65.384 62.300 -0.049 0.000 1.038 394 V CB -1.638 30.116 31.823 -0.114 0.000 0.646 394 V HN 0.840 nan 8.190 nan 0.000 0.447 395 A N 0.012 122.790 122.820 -0.070 0.000 1.883 395 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 395 A C 2.377 179.935 177.584 -0.043 0.000 1.186 395 A CA 2.393 54.411 52.037 -0.031 0.000 0.624 395 A CB -0.564 18.401 19.000 -0.058 0.000 0.822 395 A HN 0.589 nan 8.150 nan 0.000 0.444 396 K N -0.309 119.915 120.400 -0.293 0.000 2.026 396 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 396 K C 2.106 178.521 176.600 -0.309 0.000 1.048 396 K CA 1.441 57.299 56.287 -0.716 0.000 0.929 396 K CB -0.378 31.522 32.500 -1.000 0.000 0.713 396 K HN 0.335 nan 8.250 nan 0.000 0.439 397 A N 0.612 123.357 122.820 -0.124 0.000 1.969 397 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 397 A C 1.958 179.594 177.584 0.086 0.000 1.169 397 A CA 1.106 53.150 52.037 0.011 0.000 0.635 397 A CB -0.752 18.276 19.000 0.047 0.000 0.810 397 A HN 0.559 nan 8.150 nan 0.000 0.445 398 F N 0.338 120.266 119.950 -0.037 0.000 2.102 398 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 398 F C 2.374 178.193 175.800 0.031 0.000 1.105 398 F CA 1.763 59.754 58.000 -0.014 0.000 1.239 398 F CB -0.689 38.288 39.000 -0.037 0.000 0.991 398 F HN 0.284 nan 8.300 nan 0.000 0.474 399 C N 0.481 119.799 119.300 0.030 0.000 2.466 399 C HA -0.134 4.326 4.460 -0.000 0.000 0.278 399 C C 2.434 177.486 174.990 0.104 0.000 1.288 399 C CA 1.218 60.264 59.018 0.047 0.000 1.722 399 C CB -1.131 26.826 27.740 0.361 0.000 2.017 399 C HN 0.470 nan 8.230 nan 0.000 0.488 400 D N 0.496 121.004 120.400 0.180 0.000 2.221 400 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 400 D C 1.905 178.291 176.300 0.142 0.000 0.982 400 D CA 0.812 54.944 54.000 0.219 0.000 0.857 400 D CB -0.343 40.577 40.800 0.200 0.000 0.934 400 D HN 0.433 nan 8.370 nan 0.000 0.475 401 L N 0.479 121.734 121.223 0.054 0.000 2.179 401 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 401 L C 2.113 179.000 176.870 0.028 0.000 1.096 401 L CA 0.800 55.665 54.840 0.041 0.000 0.779 401 L CB 0.088 42.142 42.059 -0.008 0.000 0.922 401 L HN -0.140 nan 8.230 nan 0.000 0.443 402 E N 0.349 120.514 120.200 -0.057 0.000 2.070 402 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 402 E C -0.483 176.151 176.600 0.056 0.000 1.004 402 E CA 1.742 58.099 56.400 -0.071 0.000 0.805 402 E CB -1.639 27.969 29.700 -0.153 0.000 0.744 402 E HN 0.500 nan 8.360 nan 0.000 0.451 403 P HA -0.078 nan 4.420 nan 0.000 0.217 403 P C 1.795 179.289 177.300 0.324 0.000 1.150 403 P CA 1.043 64.231 63.100 0.148 0.000 0.832 403 P CB -0.156 31.610 31.700 0.111 0.000 0.787 404 I N -1.661 119.095 120.570 0.310 0.000 2.286 404 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 404 I C 2.689 178.791 176.117 -0.025 0.000 1.115 404 I CA 1.409 62.781 61.300 0.120 0.000 1.392 404 I CB -0.899 37.177 38.000 0.126 0.000 1.065 404 I HN -0.133 nan 8.210 nan 0.000 0.418 405 Y N 1.512 121.784 120.300 -0.048 0.000 2.256 405 Y HA -0.288 4.262 4.550 0.000 0.000 0.288 405 Y C 2.551 178.429 175.900 -0.037 0.000 1.155 405 Y CA 2.090 60.159 58.100 -0.053 0.000 1.203 405 Y CB -0.128 38.290 38.460 -0.071 0.000 0.980 405 Y HN 0.052 nan 8.280 nan 0.000 0.530 406 T N -0.807 113.808 114.554 0.102 0.000 3.004 406 T HA -0.003 4.347 4.350 -0.000 0.000 0.243 406 T C -0.209 174.484 174.700 -0.011 0.000 1.020 406 T CA 0.509 62.632 62.100 0.040 0.000 1.145 406 T CB -0.437 68.463 68.868 0.055 0.000 0.876 406 T HN 0.322 nan 8.240 nan 0.000 0.449 407 Y N 1.892 122.140 120.300 -0.086 0.000 2.314 407 Y HA 0.475 5.025 4.550 -0.000 0.000 0.334 407 Y C 0.543 176.413 175.900 -0.049 0.000 1.266 407 Y CA -1.018 57.027 58.100 -0.091 0.000 1.391 407 Y CB 0.291 38.686 38.460 -0.109 0.000 1.306 407 Y HN 0.177 nan 8.280 nan 0.000 0.558 408 E N 1.178 121.369 120.200 -0.016 0.000 2.416 408 E HA -0.082 4.268 4.350 -0.000 0.000 0.249 408 E C -0.095 176.443 176.600 -0.104 0.000 1.124 408 E CA 1.316 57.657 56.400 -0.098 0.000 0.732 408 E CB -1.590 27.944 29.700 -0.277 0.000 1.286 408 E HN 1.796 nan 8.360 nan 0.000 0.394 409 G N 0.204 108.979 108.800 -0.041 0.000 3.439 409 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.684 409 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.684 409 G C 0.028 174.877 174.900 -0.086 0.000 1.005 409 G CA 0.210 45.286 45.100 -0.039 0.000 0.837 409 G HN 0.895 nan 8.290 nan 0.000 0.470 410 T N 2.089 116.609 114.554 -0.057 0.000 2.932 410 T HA 0.216 4.566 4.350 -0.000 0.000 0.312 410 T C 1.601 176.233 174.700 -0.114 0.000 1.071 410 T CA 0.963 63.020 62.100 -0.073 0.000 1.128 410 T CB 0.417 69.277 68.868 -0.013 0.000 0.984 410 T HN 1.149 nan 8.240 nan 0.000 0.549 411 Y N 3.345 123.433 120.300 -0.354 0.000 2.096 411 Y HA -0.282 4.268 4.550 0.000 0.000 0.278 411 Y C 2.070 177.854 175.900 -0.194 0.000 1.192 411 Y CA 2.754 60.621 58.100 -0.387 0.000 1.143 411 Y CB -0.304 37.769 38.460 -0.646 0.000 0.963 411 Y HN 0.791 nan 8.280 nan 0.000 0.505 412 D N -0.007 120.382 120.400 -0.020 0.000 2.117 412 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 412 D C 2.323 178.500 176.300 -0.206 0.000 0.987 412 D CA 1.502 55.450 54.000 -0.086 0.000 0.829 412 D CB -0.289 40.511 40.800 -0.001 0.000 0.961 412 D HN 0.353 nan 8.370 nan 0.000 0.460 413 I N 1.267 121.747 120.570 -0.150 0.000 2.179 413 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 413 I C 1.805 177.861 176.117 -0.101 0.000 1.088 413 I CA 1.123 62.349 61.300 -0.122 0.000 1.357 413 I CB -0.985 37.032 38.000 0.030 0.000 1.051 413 I HN -0.047 nan 8.210 nan 0.000 0.409 414 N N 0.559 119.179 118.700 -0.134 0.000 2.084 414 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 414 N C 1.792 177.191 175.510 -0.185 0.000 1.030 414 N CA 2.327 55.296 53.050 -0.136 0.000 0.849 414 N CB -0.460 37.915 38.487 -0.187 0.000 1.012 414 N HN 0.471 nan 8.380 nan 0.000 0.423 415 T N -1.199 113.153 114.554 -0.336 0.000 2.881 415 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 415 T C 1.832 176.408 174.700 -0.208 0.000 1.068 415 T CA 0.842 62.751 62.100 -0.319 0.000 1.131 415 T CB -0.407 68.185 68.868 -0.461 0.000 0.871 415 T HN 0.121 nan 8.240 nan 0.000 0.479 416 L N 0.342 121.412 121.223 -0.256 0.000 2.270 416 L HA 0.075 4.415 4.340 -0.000 0.000 0.210 416 L C 2.807 179.682 176.870 0.008 0.000 1.104 416 L CA 0.303 54.950 54.840 -0.323 0.000 0.804 416 L CB -0.308 41.209 42.059 -0.903 0.000 0.937 416 L HN 0.156 nan 8.230 nan 0.000 0.450 417 V N -0.625 119.399 119.914 0.182 0.000 2.307 417 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 417 V C 2.498 178.658 176.094 0.109 0.000 1.045 417 V CA 2.358 64.829 62.300 0.285 0.000 1.024 417 V CB -0.827 31.108 31.823 0.187 0.000 0.651 417 V HN 0.448 nan 8.190 nan 0.000 0.449 418 T N 0.374 114.943 114.554 0.026 0.000 2.833 418 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 418 T C 1.908 176.609 174.700 0.002 0.000 1.054 418 T CA 1.404 63.501 62.100 -0.005 0.000 1.135 418 T CB -0.599 68.244 68.868 -0.041 0.000 0.869 418 T HN 0.622 nan 8.240 nan 0.000 0.466 419 G N 1.506 110.305 108.800 -0.001 0.000 2.433 419 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 419 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 419 G C 1.537 176.461 174.900 0.041 0.000 1.186 419 G CA 0.780 45.882 45.100 0.002 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.532 121.093 120.500 0.102 0.000 2.091 420 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 420 R C 2.412 178.746 176.300 0.056 0.000 1.136 420 R CA 1.923 58.092 56.100 0.114 0.000 0.959 420 R CB -0.360 30.059 30.300 0.199 0.000 0.856 420 R HN 0.536 nan 8.270 nan 0.000 0.437 421 E N -0.410 119.815 120.200 0.043 0.000 2.072 421 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 421 E C 1.815 178.420 176.600 0.008 0.000 0.985 421 E CA 1.424 57.834 56.400 0.016 0.000 0.801 421 E CB 0.219 29.923 29.700 0.007 0.000 0.750 421 E HN 0.248 nan 8.360 nan 0.000 0.452 422 V N 0.726 120.644 119.914 0.007 0.000 2.346 422 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 422 V C 2.700 178.796 176.094 0.004 0.000 1.037 422 V CA 2.033 64.333 62.300 0.000 0.000 1.029 422 V CB -0.836 30.984 31.823 -0.005 0.000 0.663 422 V HN 0.517 nan 8.190 nan 0.000 0.454 423 T N -2.097 112.462 114.554 0.010 0.000 2.857 423 T HA 0.152 4.502 4.350 -0.000 0.000 0.266 423 T C 1.730 176.437 174.700 0.012 0.000 1.048 423 T CA 1.536 63.642 62.100 0.011 0.000 1.139 423 T CB 0.093 68.969 68.868 0.014 0.000 0.874 423 T HN 1.077 nan 8.240 nan 0.000 0.455 424 G N 1.253 110.063 108.800 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 0.004 174.917 174.900 0.021 0.000 0.986 424 G CA 0.030 45.139 45.100 0.015 0.000 0.643 424 G HN 0.680 nan 8.290 nan 0.000 0.522 425 I N 1.435 122.023 120.570 0.030 0.000 2.378 425 I HA 0.654 4.824 4.170 -0.000 0.000 0.291 425 I C 0.621 176.778 176.117 0.067 0.000 0.992 425 I CA -0.734 60.589 61.300 0.038 0.000 1.154 425 I CB 2.001 40.019 38.000 0.030 0.000 1.315 425 I HN 0.230 nan 8.210 nan 0.000 0.448 426 A N 3.957 126.825 122.820 0.079 0.000 2.362 426 A HA 0.465 4.785 4.320 -0.000 0.000 0.276 426 A C 0.351 178.034 177.584 0.164 0.000 1.153 426 A CA -0.130 51.996 52.037 0.148 0.000 0.813 426 A CB 0.625 19.683 19.000 0.098 0.000 1.081 426 A HN 0.648 nan 8.150 nan 0.000 0.507 427 S N 2.098 117.931 115.700 0.221 0.000 2.474 427 S HA 0.443 4.912 4.470 -0.000 0.000 0.224 427 S C -0.194 174.445 174.600 0.065 0.000 1.209 427 S CA -0.372 57.892 58.200 0.107 0.000 1.212 427 S CB -0.637 62.571 63.200 0.015 0.000 1.137 427 S HN 0.577 nan 8.310 nan 0.000 0.446 428 F N 1.422 121.369 119.950 -0.005 0.000 2.315 428 F HA 0.475 5.002 4.527 0.000 0.000 0.284 428 F C 1.321 177.120 175.800 -0.003 0.000 1.049 428 F CA 0.115 58.112 58.000 -0.005 0.000 1.323 428 F CB -0.233 38.764 39.000 -0.005 0.000 1.113 428 F HN 0.102 nan 8.300 nan 0.000 0.544 429 K N 1.739 122.263 120.400 0.207 0.000 2.380 429 K HA 0.091 4.411 4.320 -0.000 0.000 0.267 429 K C -1.918 174.721 176.600 0.065 0.000 0.990 429 K CA -1.073 55.279 56.287 0.108 0.000 0.946 429 K CB -0.346 32.201 32.500 0.078 0.000 0.937 429 K HN -0.037 nan 8.250 nan 0.000 0.491 430 P HA 0.136 nan 4.420 nan 0.000 0.289 430 P C -0.391 176.924 177.300 0.026 0.000 1.299 430 P CA -0.388 62.729 63.100 0.029 0.000 0.766 430 P CB 0.710 32.424 31.700 0.024 0.000 1.226 431 A N -0.541 122.290 122.820 0.019 0.000 2.099 431 A HA 0.055 4.375 4.320 -0.000 0.000 0.206 431 A C 1.785 179.378 177.584 0.016 0.000 1.464 431 A CA 2.527 54.574 52.037 0.017 0.000 0.603 431 A CB -1.720 17.287 19.000 0.013 0.000 1.056 431 A HN 0.686 nan 8.150 nan 0.000 0.492 432 T N -3.110 111.452 114.554 0.013 0.000 12.091 432 T HA -0.329 4.021 4.350 -0.000 0.000 0.419 432 T C 0.703 175.410 174.700 0.011 0.000 1.442 432 T CA 4.391 66.498 62.100 0.011 0.000 2.394 432 T CB -1.408 67.467 68.868 0.012 0.000 2.865 432 T HN 2.343 nan 8.240 nan 0.000 0.872 433 R N 0.000 120.507 120.500 0.011 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