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_B DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPATR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.413 176.600 -0.312 0.000 0.988 17 K CA 0.000 56.055 56.287 -0.386 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.163 0.000 1.064 18 S N -0.491 115.082 115.700 -0.211 0.000 2.587 18 S HA 0.297 4.767 4.470 -0.000 0.000 0.269 18 S C 0.259 174.707 174.600 -0.254 0.000 1.154 18 S CA -0.060 57.941 58.200 -0.332 0.000 0.824 18 S CB 1.465 64.291 63.200 -0.624 0.000 1.118 18 S HN 0.951 nan 8.310 nan 0.000 0.462 19 S N 1.199 116.694 115.700 -0.342 0.000 2.474 19 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 19 S C 1.101 175.681 174.600 -0.034 0.000 0.997 19 S CA 1.405 59.521 58.200 -0.140 0.000 0.949 19 S CB -0.714 62.447 63.200 -0.065 0.000 0.766 19 S HN 0.970 nan 8.310 nan 0.000 0.517 20 Y N -2.293 118.065 120.300 0.097 0.000 2.500 20 Y HA 0.554 5.103 4.550 -0.000 0.000 0.246 20 Y C 1.338 177.312 175.900 0.125 0.000 1.146 20 Y CA -1.739 56.413 58.100 0.087 0.000 1.230 20 Y CB -0.717 37.784 38.460 0.067 0.000 1.214 20 Y HN 0.150 nan 8.280 nan 0.000 0.526 21 F N 2.247 122.197 119.950 0.000 0.000 2.206 21 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 21 F C 1.445 177.272 175.800 0.045 0.000 1.090 21 F CA 1.561 59.584 58.000 0.039 0.000 1.323 21 F CB 0.012 38.986 39.000 -0.043 0.000 1.028 21 F HN 0.036 nan 8.300 nan 0.000 0.492 22 D N 0.434 120.839 120.400 0.009 0.000 2.289 22 D HA 0.028 4.668 4.640 -0.000 0.000 0.207 22 D C 0.802 177.065 176.300 -0.061 0.000 0.966 22 D CA 0.290 54.247 54.000 -0.072 0.000 0.868 22 D CB -0.071 40.737 40.800 0.013 0.000 0.943 22 D HN 0.190 nan 8.370 nan 0.000 0.514 23 L N 2.305 123.526 121.223 -0.003 0.000 2.525 23 L HA 0.043 4.383 4.340 -0.000 0.000 0.278 23 L C -1.776 175.081 176.870 -0.021 0.000 1.218 23 L CA -1.139 53.708 54.840 0.010 0.000 0.878 23 L CB -0.076 42.019 42.059 0.060 0.000 1.127 23 L HN -0.174 nan 8.230 nan 0.000 0.492 24 P HA 0.115 nan 4.420 nan 0.000 0.267 24 P C -2.318 174.973 177.300 -0.016 0.000 1.200 24 P CA -0.814 62.272 63.100 -0.024 0.000 0.772 24 P CB -0.264 31.427 31.700 -0.015 0.000 0.855 25 P HA 0.027 nan 4.420 nan 0.000 0.266 25 P C -0.082 177.221 177.300 0.006 0.000 1.186 25 P CA 0.162 63.258 63.100 -0.006 0.000 0.767 25 P CB 0.270 31.967 31.700 -0.005 0.000 0.820 26 M N 2.517 122.126 119.600 0.016 0.000 2.238 26 M HA 0.018 4.498 4.480 -0.000 0.000 0.350 26 M C 0.469 176.787 176.300 0.029 0.000 1.321 26 M CA 0.081 55.394 55.300 0.023 0.000 1.097 26 M CB 0.308 32.926 32.600 0.030 0.000 1.713 26 M HN 0.302 nan 8.290 nan 0.000 0.455 27 E N 4.272 124.486 120.200 0.025 0.000 2.442 27 E HA -0.067 4.283 4.350 -0.000 0.000 0.262 27 E C 0.754 177.380 176.600 0.045 0.000 1.004 27 E CA 0.055 56.470 56.400 0.025 0.000 0.928 27 E CB 0.660 30.371 29.700 0.018 0.000 0.937 27 E HN 0.781 nan 8.360 nan 0.000 0.446 28 M N 1.579 121.204 119.600 0.043 0.000 2.358 28 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 28 M C 2.098 178.456 176.300 0.097 0.000 1.064 28 M CA 1.121 56.467 55.300 0.077 0.000 1.093 28 M CB -0.885 31.726 32.600 0.017 0.000 1.401 28 M HN 0.411 nan 8.290 nan 0.000 0.440 29 S N -0.313 115.420 115.700 0.055 0.000 2.402 29 S HA -0.057 4.413 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 1.102 59.328 58.200 0.043 0.000 0.974 29 S CB 0.157 63.371 63.200 0.023 0.000 0.800 29 S HN 0.312 nan 8.310 nan 0.000 0.484 30 V N 1.021 120.959 119.914 0.041 0.000 2.795 30 V HA 0.281 4.401 4.120 -0.000 0.000 0.243 30 V C 2.697 178.818 176.094 0.045 0.000 1.069 30 V CA 0.987 63.304 62.300 0.027 0.000 1.089 30 V CB -0.866 30.968 31.823 0.018 0.000 0.756 30 V HN 0.494 nan 8.190 nan 0.000 0.471 31 A N -0.918 121.954 122.820 0.086 0.000 1.930 31 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 31 A C 1.092 178.814 177.584 0.230 0.000 1.175 31 A CA 1.470 53.586 52.037 0.131 0.000 0.627 31 A CB -0.206 18.877 19.000 0.139 0.000 0.815 31 A HN 0.489 nan 8.150 nan 0.000 0.443 32 F N -1.040 118.949 119.950 0.065 0.000 3.228 32 F HA 0.410 4.937 4.527 -0.000 0.000 0.390 32 F C -2.571 173.272 175.800 0.071 0.000 1.235 32 F CA -1.688 56.360 58.000 0.079 0.000 1.236 32 F CB 1.659 40.753 39.000 0.156 0.000 1.855 32 F HN -0.043 nan 8.300 nan 0.000 0.647 33 P HA -0.074 nan 4.420 nan 0.000 0.222 33 P C 1.262 178.493 177.300 -0.115 0.000 1.153 33 P CA 1.028 64.084 63.100 -0.074 0.000 0.798 33 P CB 0.240 31.877 31.700 -0.104 0.000 0.796 34 Q N -0.587 119.011 119.800 -0.336 0.000 2.226 34 Q HA -0.007 4.333 4.340 -0.000 0.000 0.204 34 Q C 0.676 176.622 176.000 -0.091 0.000 0.975 34 Q CA 0.859 56.492 55.803 -0.282 0.000 0.866 34 Q CB -0.188 28.260 28.738 -0.484 0.000 0.915 34 Q HN 0.189 nan 8.270 nan 0.000 0.440 35 A N 0.155 123.062 122.820 0.145 0.000 2.380 35 A HA 0.514 4.834 4.320 -0.000 0.000 0.315 35 A C -0.667 177.107 177.584 0.316 0.000 1.101 35 A CA -0.579 51.588 52.037 0.218 0.000 0.771 35 A CB 1.642 20.765 19.000 0.207 0.000 1.287 35 A HN -0.043 nan 8.150 nan 0.000 0.436 36 T N 4.506 119.192 114.554 0.220 0.000 2.771 36 T HA 0.524 4.874 4.350 -0.000 0.000 0.291 36 T C -2.231 172.528 174.700 0.099 0.000 0.954 36 T CA -0.732 61.446 62.100 0.131 0.000 1.045 36 T CB 0.907 69.813 68.868 0.063 0.000 0.917 36 T HN 0.580 nan 8.240 nan 0.000 0.484 37 P HA 0.213 nan 4.420 nan 0.000 0.275 37 P C 0.467 177.620 177.300 -0.245 0.000 1.270 37 P CA -0.406 62.389 63.100 -0.508 0.000 0.791 37 P CB 0.600 31.986 31.700 -0.522 0.000 1.089 38 A N 0.148 122.811 122.820 -0.261 0.000 2.168 38 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 38 A C 2.237 179.834 177.584 0.022 0.000 1.152 38 A CA 1.189 53.160 52.037 -0.110 0.000 0.716 38 A CB -1.488 17.474 19.000 -0.064 0.000 0.794 38 A HN 0.513 nan 8.150 nan 0.000 0.465 39 S N 0.143 115.823 115.700 -0.033 0.000 2.368 39 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 39 S C 0.974 175.612 174.600 0.064 0.000 1.044 39 S CA 1.679 59.889 58.200 0.017 0.000 1.062 39 S CB -0.456 62.731 63.200 -0.022 0.000 0.931 39 S HN 0.640 nan 8.310 nan 0.000 0.440 40 T N 2.622 117.203 114.554 0.045 0.000 2.811 40 T HA 0.387 4.737 4.350 -0.000 0.000 0.309 40 T C -0.441 174.322 174.700 0.106 0.000 1.005 40 T CA -0.387 61.760 62.100 0.078 0.000 0.955 40 T CB -0.127 68.769 68.868 0.047 0.000 0.970 40 T HN 0.128 nan 8.240 nan 0.000 0.496 41 F N 5.116 125.076 119.950 0.018 0.000 2.529 41 F HA 0.290 4.817 4.527 -0.000 0.000 0.365 41 F C -1.749 174.081 175.800 0.050 0.000 1.102 41 F CA -1.858 56.160 58.000 0.030 0.000 1.271 41 F CB 0.429 39.447 39.000 0.031 0.000 1.120 41 F HN 0.358 nan 8.300 nan 0.000 0.579 42 P HA 0.056 nan 4.420 nan 0.000 0.268 42 P C -2.494 174.862 177.300 0.093 0.000 1.208 42 P CA -0.661 62.368 63.100 -0.118 0.000 0.777 42 P CB -0.175 31.369 31.700 -0.260 0.000 0.875 43 P HA -0.003 nan 4.420 nan 0.000 0.274 43 P C -0.407 176.982 177.300 0.148 0.000 1.237 43 P CA -0.289 62.894 63.100 0.139 0.000 0.793 43 P CB 0.562 32.329 31.700 0.112 0.000 0.977 44 C N 3.027 122.416 119.300 0.148 0.000 2.305 44 C HA 0.190 4.650 4.460 -0.000 0.000 0.378 44 C C 1.747 176.800 174.990 0.105 0.000 1.047 44 C CA 0.439 59.546 59.018 0.148 0.000 1.385 44 C CB -2.420 25.405 27.740 0.141 0.000 1.825 44 C HN 0.662 nan 8.230 nan 0.000 0.508 45 T N -0.368 114.248 114.554 0.103 0.000 3.069 45 T HA 0.010 4.360 4.350 -0.000 0.000 0.252 45 T C 1.480 176.224 174.700 0.073 0.000 1.053 45 T CA 0.676 62.790 62.100 0.022 0.000 0.964 45 T CB -0.116 68.618 68.868 -0.224 0.000 1.005 45 T HN 0.736 nan 8.240 nan 0.000 0.532 46 S N 0.682 116.448 115.700 0.111 0.000 2.470 46 S HA 0.011 4.480 4.470 -0.000 0.000 0.225 46 S C 0.932 175.475 174.600 -0.095 0.000 1.006 46 S CA -0.025 58.119 58.200 -0.093 0.000 0.934 46 S CB -0.418 62.828 63.200 0.076 0.000 0.778 46 S HN 0.472 nan 8.310 nan 0.000 0.517 47 D N 0.714 121.102 120.400 -0.020 0.000 2.545 47 D HA 0.051 4.691 4.640 -0.000 0.000 0.227 47 D C -0.138 176.058 176.300 -0.173 0.000 1.150 47 D CA -0.229 53.697 54.000 -0.123 0.000 1.046 47 D CB -0.017 40.751 40.800 -0.052 0.000 1.098 47 D HN 0.400 nan 8.370 nan 0.000 0.502 48 Y N 2.520 122.588 120.300 -0.387 0.000 2.476 48 Y HA -0.029 4.521 4.550 -0.000 0.000 0.283 48 Y C 0.611 176.431 175.900 -0.134 0.000 1.109 48 Y CA 0.639 58.589 58.100 -0.250 0.000 1.246 48 Y CB 0.187 38.491 38.460 -0.261 0.000 1.068 48 Y HN 0.283 nan 8.280 nan 0.000 0.552 49 Y N 0.591 120.461 120.300 -0.717 0.000 2.583 49 Y HA 0.202 4.751 4.550 -0.000 0.000 0.294 49 Y C 0.121 175.586 175.900 -0.726 0.000 1.170 49 Y CA -0.332 57.334 58.100 -0.723 0.000 1.265 49 Y CB -1.621 36.496 38.460 -0.572 0.000 1.119 49 Y HN 0.225 nan 8.280 nan 0.000 0.522 50 H N -0.910 117.783 119.070 -0.629 0.000 2.631 50 H HA -0.252 4.304 4.556 -0.000 0.000 0.322 50 H C 0.195 175.312 175.328 -0.352 0.000 1.035 50 H CA -0.126 55.672 56.048 -0.416 0.000 1.070 50 H CB -1.583 28.020 29.762 -0.264 0.000 1.622 50 H HN 0.398 nan 8.280 nan 0.000 0.373 51 F N 1.138 120.858 119.950 -0.383 0.000 2.661 51 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 51 F C 2.002 177.605 175.800 -0.327 0.000 1.137 51 F CA 0.293 58.028 58.000 -0.442 0.000 1.454 51 F CB -0.017 38.460 39.000 -0.872 0.000 1.103 51 F HN 0.387 nan 8.300 nan 0.000 0.577 52 N N 0.436 118.965 118.700 -0.284 0.000 2.443 52 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 52 N C 1.133 176.560 175.510 -0.139 0.000 1.037 52 N CA 0.997 53.925 53.050 -0.203 0.000 0.896 52 N CB -0.384 37.934 38.487 -0.282 0.000 0.959 52 N HN 0.230 nan 8.380 nan 0.000 0.442 53 D N -0.149 120.145 120.400 -0.178 0.000 2.224 53 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 53 D C 1.535 177.817 176.300 -0.030 0.000 0.965 53 D CA 0.593 54.553 54.000 -0.066 0.000 0.852 53 D CB 0.045 40.817 40.800 -0.046 0.000 0.947 53 D HN 0.342 nan 8.370 nan 0.000 0.494 54 L N -0.011 121.178 121.223 -0.057 0.000 2.558 54 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 54 L C 0.682 177.657 176.870 0.175 0.000 1.128 54 L CA 0.125 54.911 54.840 -0.091 0.000 0.868 54 L CB 0.017 41.726 42.059 -0.583 0.000 1.006 54 L HN -0.148 nan 8.230 nan 0.000 0.454 55 L N -0.690 120.618 121.223 0.143 0.000 2.334 55 L HA 0.399 4.738 4.340 -0.000 0.000 0.272 55 L C 0.668 177.606 176.870 0.114 0.000 1.020 55 L CA -0.651 54.290 54.840 0.168 0.000 0.812 55 L CB 1.698 43.848 42.059 0.152 0.000 1.264 55 L HN -0.008 nan 8.230 nan 0.000 0.439 56 T N -2.172 112.444 114.554 0.104 0.000 2.882 56 T HA 0.259 4.608 4.350 -0.000 0.000 0.287 56 T C -1.958 172.774 174.700 0.053 0.000 1.014 56 T CA -1.631 60.512 62.100 0.072 0.000 1.049 56 T CB 1.256 70.161 68.868 0.062 0.000 1.001 56 T HN 0.329 nan 8.240 nan 0.000 0.525 57 P HA -0.137 nan 4.420 nan 0.000 0.216 57 P C 1.422 178.740 177.300 0.031 0.000 1.154 57 P CA 1.180 64.300 63.100 0.034 0.000 0.865 57 P CB 0.101 31.818 31.700 0.029 0.000 0.789 58 E N -0.281 119.936 120.200 0.028 0.000 2.072 58 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 58 E C 1.844 178.457 176.600 0.023 0.000 0.982 58 E CA 0.896 57.309 56.400 0.022 0.000 0.803 58 E CB -0.143 29.568 29.700 0.017 0.000 0.755 58 E HN 0.279 nan 8.360 nan 0.000 0.453 59 E N 0.353 120.570 120.200 0.029 0.000 2.077 59 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 59 E C 2.232 178.856 176.600 0.040 0.000 0.989 59 E CA 1.136 57.553 56.400 0.029 0.000 0.800 59 E CB -0.006 29.721 29.700 0.046 0.000 0.746 59 E HN 0.311 nan 8.360 nan 0.000 0.452 60 Q N 0.071 119.899 119.800 0.047 0.000 2.096 60 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 60 Q C 2.233 178.256 176.000 0.039 0.000 0.982 60 Q CA 1.409 57.240 55.803 0.047 0.000 0.850 60 Q CB -0.170 28.591 28.738 0.038 0.000 0.901 60 Q HN 0.258 nan 8.270 nan 0.000 0.422 61 A N 0.611 123.450 122.820 0.031 0.000 1.930 61 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 61 A C 1.997 179.596 177.584 0.024 0.000 1.175 61 A CA 1.077 53.130 52.037 0.027 0.000 0.627 61 A CB -0.507 18.506 19.000 0.022 0.000 0.815 61 A HN 0.300 nan 8.150 nan 0.000 0.443 62 I N -1.151 119.432 120.570 0.020 0.000 2.252 62 I HA -0.211 3.959 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 1.385 62.693 61.300 0.013 0.000 1.385 62 I CB -0.331 37.669 38.000 0.001 0.000 1.064 62 I HN 0.338 nan 8.210 nan 0.000 0.414 63 R N 1.521 122.040 120.500 0.032 0.000 2.094 63 R HA -0.261 4.078 4.340 -0.000 0.000 0.239 63 R C 2.391 178.720 176.300 0.049 0.000 1.137 63 R CA 2.060 58.191 56.100 0.052 0.000 0.943 63 R CB -0.234 30.114 30.300 0.081 0.000 0.850 63 R HN 0.231 nan 8.270 nan 0.000 0.433 64 K N 0.675 121.102 120.400 0.045 0.000 2.057 64 K HA -0.201 4.119 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 1.643 57.955 56.287 0.041 0.000 0.931 64 K CB -0.113 32.411 32.500 0.039 0.000 0.714 64 K HN 0.072 nan 8.250 nan 0.000 0.440 65 K N 0.580 120.994 120.400 0.024 0.000 2.026 65 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 65 K C 1.950 178.556 176.600 0.010 0.000 1.048 65 K CA 1.616 57.913 56.287 0.016 0.000 0.929 65 K CB -0.038 32.471 32.500 0.015 0.000 0.713 65 K HN 0.035 nan 8.250 nan 0.000 0.439 66 V N 1.511 121.431 119.914 0.010 0.000 2.295 66 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 66 V C 2.642 178.729 176.094 -0.011 0.000 1.049 66 V CA 2.003 64.305 62.300 0.002 0.000 1.024 66 V CB -0.658 31.170 31.823 0.008 0.000 0.648 66 V HN 0.421 nan 8.190 nan 0.000 0.447 67 R N 0.133 120.633 120.500 0.000 0.000 2.096 67 R HA -0.246 4.094 4.340 -0.000 0.000 0.240 67 R C 2.316 178.596 176.300 -0.034 0.000 1.139 67 R CA 2.357 58.448 56.100 -0.015 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 -0.530 119.666 120.200 -0.007 0.000 2.072 68 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 68 E C 1.972 178.560 176.600 -0.020 0.000 0.985 68 E CA 1.171 57.569 56.400 -0.004 0.000 0.801 68 E CB -0.178 29.530 29.700 0.012 0.000 0.750 68 E HN 0.368 nan 8.360 nan 0.000 0.452 69 C N 0.608 119.895 119.300 -0.022 0.000 2.491 69 C HA 0.034 4.494 4.460 -0.000 0.000 0.277 69 C C 2.063 177.021 174.990 -0.053 0.000 1.455 69 C CA 0.322 59.323 59.018 -0.028 0.000 1.758 69 C CB -0.742 26.988 27.740 -0.017 0.000 1.745 69 C HN 0.394 nan 8.230 nan 0.000 0.558 70 M N -0.668 118.885 119.600 -0.078 0.000 2.691 70 M HA 0.092 4.572 4.480 -0.000 0.000 0.261 70 M C 1.963 178.164 176.300 -0.166 0.000 1.227 70 M CA 1.069 56.294 55.300 -0.126 0.000 1.197 70 M CB -1.113 31.395 32.600 -0.154 0.000 1.294 70 M HN 0.365 nan 8.290 nan 0.000 0.508 71 E N 0.235 120.336 120.200 -0.166 0.000 2.338 71 E HA -0.191 4.158 4.350 -0.000 0.000 0.197 71 E C 1.831 178.411 176.600 -0.033 0.000 1.007 71 E CA 0.905 57.226 56.400 -0.131 0.000 0.849 71 E CB 0.168 29.833 29.700 -0.058 0.000 0.774 71 E HN 0.305 nan 8.360 nan 0.000 0.506 72 K N 0.712 121.092 120.400 -0.034 0.000 2.121 72 K HA -0.029 4.290 4.320 -0.000 0.000 0.203 72 K C 1.802 178.390 176.600 -0.019 0.000 1.041 72 K CA 0.886 57.167 56.287 -0.011 0.000 0.969 72 K CB 0.449 32.945 32.500 -0.006 0.000 0.799 72 K HN -0.143 nan 8.250 nan 0.000 0.456 73 E N -0.233 119.940 120.200 -0.045 0.000 2.307 73 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 73 E C 1.811 178.355 176.600 -0.092 0.000 0.975 73 E CA 0.602 56.966 56.400 -0.060 0.000 0.878 73 E CB 0.770 30.427 29.700 -0.073 0.000 0.845 73 E HN 0.139 nan 8.360 nan 0.000 0.488 74 V N 0.975 120.829 119.914 -0.100 0.000 2.690 74 V HA 0.088 4.207 4.120 -0.000 0.000 0.240 74 V C 2.326 178.384 176.094 -0.060 0.000 1.078 74 V CA 1.125 63.355 62.300 -0.115 0.000 1.102 74 V CB -0.341 31.401 31.823 -0.135 0.000 0.800 74 V HN 0.144 nan 8.190 nan 0.000 0.479 75 A N 1.231 124.018 122.820 -0.055 0.000 1.927 75 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 75 A C 0.415 178.032 177.584 0.055 0.000 1.185 75 A CA 2.603 54.648 52.037 0.013 0.000 0.639 75 A CB -1.939 17.082 19.000 0.036 0.000 0.820 75 A HN 0.554 nan 8.150 nan 0.000 0.451 76 P HA -0.095 nan 4.420 nan 0.000 0.215 76 P C 1.374 178.714 177.300 0.067 0.000 1.157 76 P CA 1.359 64.488 63.100 0.050 0.000 0.859 76 P CB -0.241 31.487 31.700 0.046 0.000 0.786 77 I N -3.270 117.349 120.570 0.082 0.000 3.059 77 I HA -0.033 4.137 4.170 -0.000 0.000 0.270 77 I C 2.224 178.467 176.117 0.211 0.000 1.238 77 I CA 0.900 62.302 61.300 0.169 0.000 1.478 77 I CB -1.587 36.543 38.000 0.217 0.000 1.097 77 I HN -0.159 nan 8.210 nan 0.000 0.455 78 M N 0.208 119.875 119.600 0.112 0.000 2.149 78 M HA -0.112 4.367 4.480 -0.000 0.000 0.261 78 M C 2.003 178.410 176.300 0.178 0.000 1.064 78 M CA 2.272 57.645 55.300 0.121 0.000 1.102 78 M CB -1.844 30.787 32.600 0.052 0.000 1.369 78 M HN 0.182 nan 8.290 nan 0.000 0.408 79 T N 0.625 115.249 114.554 0.117 0.000 2.684 79 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 79 T C 1.750 176.542 174.700 0.153 0.000 1.036 79 T CA 2.035 64.195 62.100 0.101 0.000 1.148 79 T CB -0.361 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 -0.119 120.150 120.200 0.115 0.000 2.028 80 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 80 E C 1.856 178.464 176.600 0.014 0.000 0.988 80 E CA 1.081 57.497 56.400 0.026 0.000 0.799 80 E CB -0.185 29.475 29.700 -0.066 0.000 0.755 80 E HN 0.623 nan 8.360 nan 0.000 0.447 81 Y N -1.371 118.983 120.300 0.090 0.000 2.439 81 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 81 Y C 1.847 177.814 175.900 0.111 0.000 1.130 81 Y CA 0.940 59.080 58.100 0.067 0.000 1.254 81 Y CB -0.171 38.289 38.460 -0.000 0.000 1.000 81 Y HN 0.297 nan 8.280 nan 0.000 0.554 82 W N 1.195 122.568 121.300 0.122 0.000 2.409 82 W HA -0.134 4.526 4.660 -0.000 0.000 0.299 82 W C 2.445 179.004 176.519 0.067 0.000 1.203 82 W CA 1.954 59.353 57.345 0.089 0.000 1.298 82 W CB -0.139 29.367 29.460 0.077 0.000 1.127 82 W HN 0.083 nan 8.180 nan 0.000 0.528 83 E N 0.758 121.129 120.200 0.284 0.000 2.051 83 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 83 E C 1.891 178.485 176.600 -0.010 0.000 0.991 83 E CA 1.792 58.272 56.400 0.134 0.000 0.799 83 E CB -0.343 29.446 29.700 0.148 0.000 0.748 83 E HN -0.046 nan 8.360 nan 0.000 0.449 84 K N -0.180 120.216 120.400 -0.008 0.000 2.439 84 K HA 0.109 4.428 4.320 -0.000 0.000 0.197 84 K C 0.800 177.382 176.600 -0.030 0.000 1.041 84 K CA 0.729 56.997 56.287 -0.031 0.000 0.970 84 K CB -0.031 32.433 32.500 -0.060 0.000 0.773 84 K HN 0.282 nan 8.250 nan 0.000 0.479 85 A N 1.648 124.428 122.820 -0.067 0.000 2.826 85 A HA -0.239 4.081 4.320 -0.000 0.000 0.274 85 A C -0.215 177.391 177.584 0.036 0.000 1.443 85 A CA 1.206 53.191 52.037 -0.086 0.000 0.833 85 A CB -1.955 16.973 19.000 -0.121 0.000 1.023 85 A HN 0.483 nan 8.150 nan 0.000 0.600 86 E N -1.425 118.845 120.200 0.117 0.000 2.214 86 E HA 0.592 4.941 4.350 -0.000 0.000 0.274 86 E C -0.370 176.370 176.600 0.234 0.000 0.977 86 E CA -0.877 55.654 56.400 0.218 0.000 0.827 86 E CB 0.993 30.852 29.700 0.266 0.000 1.130 86 E HN 0.446 nan 8.360 nan 0.000 0.394 87 F N 4.430 124.342 119.950 -0.063 0.000 2.427 87 F HA 0.227 4.753 4.527 -0.000 0.000 0.352 87 F C -1.879 173.569 175.800 -0.586 0.000 1.100 87 F CA -2.349 55.372 58.000 -0.464 0.000 1.191 87 F CB 0.905 39.333 39.000 -0.954 0.000 1.128 87 F HN 0.206 nan 8.300 nan 0.000 0.533 88 P HA 0.097 nan 4.420 nan 0.000 0.247 88 P C 0.237 176.958 177.300 -0.965 0.000 1.756 88 P CA 0.183 62.523 63.100 -1.267 0.000 1.117 88 P CB -0.348 30.486 31.700 -1.443 0.000 1.869 89 F N 1.388 121.153 119.950 -0.308 0.000 2.216 89 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 89 F C 2.597 178.339 175.800 -0.096 0.000 1.085 89 F CA 1.340 59.285 58.000 -0.092 0.000 1.326 89 F CB -0.808 38.189 39.000 -0.005 0.000 1.027 89 F HN 0.439 nan 8.300 nan 0.000 0.497 90 H N -1.175 117.879 119.070 -0.026 0.000 2.563 90 H HA 0.025 4.580 4.556 -0.000 0.000 0.272 90 H C 1.645 176.917 175.328 -0.093 0.000 1.005 90 H CA 0.833 56.861 56.048 -0.033 0.000 1.171 90 H CB -0.557 29.194 29.762 -0.019 0.000 1.351 90 H HN 0.296 nan 8.280 nan 0.000 0.602 91 I N 1.197 121.453 120.570 -0.524 0.000 3.462 91 I HA -0.087 4.083 4.170 -0.000 0.000 0.290 91 I C 2.090 178.077 176.117 -0.218 0.000 1.236 91 I CA 0.455 61.489 61.300 -0.444 0.000 1.418 91 I CB -0.030 37.606 38.000 -0.608 0.000 1.102 91 I HN 0.109 nan 8.210 nan 0.000 0.441 92 T N 2.436 116.903 114.554 -0.145 0.000 2.592 92 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 92 T C -0.408 174.325 174.700 0.056 0.000 1.060 92 T CA 2.170 64.286 62.100 0.026 0.000 1.167 92 T CB -1.594 67.360 68.868 0.143 0.000 0.863 92 T HN 0.267 nan 8.240 nan 0.000 0.431 93 P HA -0.063 nan 4.420 nan 0.000 0.220 93 P C 1.183 178.498 177.300 0.026 0.000 1.148 93 P CA 1.171 64.299 63.100 0.048 0.000 0.803 93 P CB -0.053 31.676 31.700 0.048 0.000 0.782 94 K N -0.146 120.251 120.400 -0.005 0.000 2.148 94 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 94 K C 2.305 178.902 176.600 -0.004 0.000 1.050 94 K CA 0.836 57.114 56.287 -0.016 0.000 0.942 94 K CB -0.776 31.692 32.500 -0.053 0.000 0.724 94 K HN 0.300 nan 8.250 nan 0.000 0.446 95 L N 0.155 121.383 121.223 0.009 0.000 2.109 95 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 95 L C 2.441 179.342 176.870 0.051 0.000 1.086 95 L CA 1.227 56.091 54.840 0.040 0.000 0.760 95 L CB -0.734 41.384 42.059 0.097 0.000 0.910 95 L HN 0.225 nan 8.230 nan 0.000 0.437 96 G N -0.625 108.210 108.800 0.058 0.000 2.598 96 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.215 96 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.215 96 G C 1.597 176.523 174.900 0.044 0.000 1.131 96 G CA 0.677 45.810 45.100 0.055 0.000 0.785 96 G HN 0.434 nan 8.290 nan 0.000 0.539 97 A N 0.359 123.199 122.820 0.034 0.000 2.123 97 A HA 0.301 4.621 4.320 -0.000 0.000 0.214 97 A C 2.284 179.881 177.584 0.022 0.000 1.152 97 A CA 0.629 52.682 52.037 0.027 0.000 0.728 97 A CB -0.183 18.829 19.000 0.021 0.000 0.814 97 A HN 0.367 nan 8.150 nan 0.000 0.464 98 M N -1.008 118.605 119.600 0.021 0.000 2.319 98 M HA 0.083 4.563 4.480 -0.000 0.000 0.265 98 M C 1.316 177.628 176.300 0.019 0.000 1.068 98 M CA 1.055 56.365 55.300 0.017 0.000 1.118 98 M CB -0.232 32.377 32.600 0.015 0.000 1.395 98 M HN 0.616 nan 8.290 nan 0.000 0.435 99 G N 0.828 109.643 108.800 0.025 0.000 2.341 99 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.278 99 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.278 99 G C 0.181 175.094 174.900 0.021 0.000 1.111 99 G CA 0.071 45.187 45.100 0.026 0.000 0.982 99 G HN 0.310 nan 8.290 nan 0.000 0.502 100 V N -0.549 119.380 119.914 0.025 0.000 3.359 100 V HA 0.531 4.651 4.120 -0.000 0.000 0.245 100 V C 1.922 178.031 176.094 0.024 0.000 1.247 100 V CA 1.100 63.409 62.300 0.016 0.000 1.145 100 V CB 0.039 31.870 31.823 0.013 0.000 0.906 100 V HN 1.439 nan 8.190 nan 0.000 0.464 101 A N 0.757 123.604 122.820 0.046 0.000 2.524 101 A HA 0.480 4.800 4.320 -0.000 0.000 0.250 101 A C 1.528 179.158 177.584 0.076 0.000 1.078 101 A CA 1.116 53.203 52.037 0.083 0.000 0.761 101 A CB -0.548 18.519 19.000 0.112 0.000 1.012 101 A HN 1.279 nan 8.150 nan 0.000 0.500 102 G N 1.830 110.663 108.800 0.056 0.000 2.956 102 G HA2 0.052 4.012 3.960 -0.000 0.000 0.210 102 G HA3 0.052 4.012 3.960 -0.000 0.000 0.210 102 G C 1.873 176.776 174.900 0.005 0.000 1.316 102 G CA 1.059 46.177 45.100 0.029 0.000 0.819 102 G HN 2.670 nan 8.290 nan 0.000 0.544 103 G N 0.224 109.027 108.800 0.005 0.000 3.284 103 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.351 103 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.351 103 G C 1.699 176.589 174.900 -0.017 0.000 1.232 103 G CA 2.656 47.745 45.100 -0.018 0.000 1.001 103 G HN 1.815 nan 8.290 nan 0.000 0.639 104 S N 0.912 116.595 115.700 -0.029 0.000 2.428 104 S HA 0.197 4.667 4.470 -0.000 0.000 0.230 104 S C 1.341 175.951 174.600 0.016 0.000 1.014 104 S CA 0.752 58.944 58.200 -0.014 0.000 0.957 104 S CB -0.129 63.053 63.200 -0.031 0.000 0.784 104 S HN 0.502 nan 8.310 nan 0.000 0.499 105 I N 2.697 123.281 120.570 0.023 0.000 2.668 105 I HA 0.013 4.182 4.170 -0.000 0.000 0.285 105 I C 0.388 176.554 176.117 0.081 0.000 1.168 105 I CA 0.185 61.523 61.300 0.064 0.000 1.424 105 I CB 0.323 38.366 38.000 0.072 0.000 1.377 105 I HN -0.108 nan 8.210 nan 0.000 0.560 106 K N 5.436 125.893 120.400 0.095 0.000 2.183 106 K HA 0.536 4.855 4.320 -0.000 0.000 0.274 106 K C 0.449 177.068 176.600 0.031 0.000 1.009 106 K CA 0.064 56.382 56.287 0.051 0.000 0.888 106 K CB 1.521 34.034 32.500 0.023 0.000 1.078 106 K HN 0.920 nan 8.250 nan 0.000 0.459 107 G N 1.924 110.695 108.800 -0.048 0.000 2.642 107 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.231 107 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.231 107 G C -0.505 174.354 174.900 -0.069 0.000 1.338 107 G CA 0.006 44.985 45.100 -0.201 0.000 0.883 107 G HN 0.691 nan 8.290 nan 0.000 0.570 108 Y N -1.359 118.945 120.300 0.007 0.000 3.491 108 Y HA -0.074 4.476 4.550 -0.000 0.000 0.215 108 Y C 2.244 178.154 175.900 0.017 0.000 1.219 108 Y CA 1.974 60.081 58.100 0.011 0.000 1.485 108 Y CB -1.733 36.735 38.460 0.013 0.000 1.450 108 Y HN 2.692 nan 8.280 nan 0.000 0.603 109 G N -2.028 106.826 108.800 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 0.127 175.073 174.900 0.077 0.000 0.997 109 G CA -0.032 45.112 45.100 0.073 0.000 0.708 109 G HN 0.678 nan 8.290 nan 0.000 0.520 110 C N 0.474 119.824 119.300 0.084 0.000 2.365 110 C HA 0.598 5.057 4.460 -0.000 0.000 0.349 110 C C 0.362 175.378 174.990 0.044 0.000 1.191 110 C CA -0.678 58.383 59.018 0.072 0.000 2.114 110 C CB 1.494 29.289 27.740 0.091 0.000 2.367 110 C HN 0.354 nan 8.230 nan 0.000 0.530 111 P HA -0.002 nan 4.420 nan 0.000 0.218 111 P C 0.768 178.075 177.300 0.013 0.000 1.148 111 P CA 1.970 65.082 63.100 0.020 0.000 0.822 111 P CB -0.007 31.703 31.700 0.017 0.000 0.784 112 G N 0.239 109.048 108.800 0.015 0.000 2.353 112 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.294 112 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.294 112 G C -0.201 174.699 174.900 0.001 0.000 1.077 112 G CA -0.192 44.914 45.100 0.010 0.000 1.098 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.366 121.586 121.223 -0.005 0.000 2.416 113 L HA 0.649 4.988 4.340 -0.000 0.000 0.262 113 L C 1.457 178.316 176.870 -0.020 0.000 1.093 113 L CA -0.445 54.385 54.840 -0.017 0.000 0.801 113 L CB 1.263 43.304 42.059 -0.031 0.000 1.191 113 L HN 0.512 nan 8.230 nan 0.000 0.459 114 S N 0.170 115.855 115.700 -0.025 0.000 2.593 114 S HA 0.105 4.574 4.470 -0.000 0.000 0.269 114 S C 0.890 175.458 174.600 -0.053 0.000 1.334 114 S CA -0.615 57.571 58.200 -0.023 0.000 1.015 114 S CB 1.112 64.300 63.200 -0.020 0.000 0.912 114 S HN 0.576 nan 8.310 nan 0.000 0.541 115 I N 1.908 122.459 120.570 -0.030 0.000 2.264 115 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 115 I C 2.180 178.179 176.117 -0.197 0.000 1.111 115 I CA 1.957 63.206 61.300 -0.086 0.000 1.382 115 I CB -0.910 37.110 38.000 0.034 0.000 1.060 115 I HN 0.894 nan 8.210 nan 0.000 0.418 116 T N 0.714 115.173 114.554 -0.159 0.000 2.777 116 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 116 T C 1.974 176.508 174.700 -0.275 0.000 1.040 116 T CA 1.319 63.286 62.100 -0.221 0.000 1.141 116 T CB -0.612 68.212 68.868 -0.073 0.000 0.868 116 T HN 0.505 nan 8.240 nan 0.000 0.444 117 A N 1.807 124.528 122.820 -0.164 0.000 1.898 117 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 117 A C 2.169 179.642 177.584 -0.184 0.000 1.181 117 A CA 1.582 53.537 52.037 -0.137 0.000 0.620 117 A CB -0.872 18.087 19.000 -0.068 0.000 0.819 117 A HN 0.591 nan 8.150 nan 0.000 0.442 118 N N -0.463 118.122 118.700 -0.191 0.000 2.381 118 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 118 N C 1.772 177.109 175.510 -0.289 0.000 1.025 118 N CA 0.773 53.710 53.050 -0.188 0.000 0.888 118 N CB -0.119 38.278 38.487 -0.150 0.000 0.965 118 N HN 0.451 nan 8.380 nan 0.000 0.438 119 A N 0.801 123.319 122.820 -0.503 0.000 1.874 119 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 119 A C 1.986 179.024 177.584 -0.911 0.000 1.189 119 A CA 0.501 52.000 52.037 -0.897 0.000 0.615 119 A CB -0.412 17.607 19.000 -1.635 0.000 0.830 119 A HN 0.315 nan 8.150 nan 0.000 0.443 120 I N -0.117 119.966 120.570 -0.812 0.000 2.614 120 I HA -0.121 4.049 4.170 -0.000 0.000 0.258 120 I C 2.446 178.498 176.117 -0.110 0.000 1.189 120 I CA 1.074 62.143 61.300 -0.386 0.000 1.462 120 I CB -0.151 37.743 38.000 -0.177 0.000 1.092 120 I HN 0.291 nan 8.210 nan 0.000 0.442 121 A N -0.694 122.043 122.820 -0.137 0.000 1.873 121 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 121 A C 2.328 179.905 177.584 -0.012 0.000 1.186 121 A CA 2.275 54.281 52.037 -0.052 0.000 0.616 121 A CB -1.321 17.643 19.000 -0.061 0.000 0.823 121 A HN 0.422 nan 8.150 nan 0.000 0.442 122 T N 0.674 115.209 114.554 -0.032 0.000 2.720 122 T HA -0.094 4.255 4.350 -0.000 0.000 0.268 122 T C 2.199 176.968 174.700 0.114 0.000 1.037 122 T CA 1.743 63.866 62.100 0.039 0.000 1.144 122 T CB -0.563 68.325 68.868 0.035 0.000 0.864 122 T HN 0.608 nan 8.240 nan 0.000 0.444 123 A N 2.037 124.961 122.820 0.174 0.000 1.865 123 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 123 A C 2.232 179.930 177.584 0.191 0.000 1.191 123 A CA 1.401 53.603 52.037 0.276 0.000 0.623 123 A CB -0.468 18.821 19.000 0.481 0.000 0.826 123 A HN 0.369 nan 8.150 nan 0.000 0.444 124 E N -0.415 119.873 120.200 0.145 0.000 2.472 124 E HA -0.039 4.311 4.350 -0.000 0.000 0.200 124 E C 1.733 178.358 176.600 0.040 0.000 1.046 124 E CA 0.536 56.995 56.400 0.098 0.000 0.871 124 E CB -0.211 29.538 29.700 0.081 0.000 0.806 124 E HN 0.776 nan 8.360 nan 0.000 0.533 125 I N 0.405 121.006 120.570 0.052 0.000 2.364 125 I HA -0.082 4.088 4.170 -0.000 0.000 0.241 125 I C 2.390 178.537 176.117 0.050 0.000 1.082 125 I CA 0.718 62.037 61.300 0.032 0.000 1.401 125 I CB -0.329 37.703 38.000 0.054 0.000 1.126 125 I HN -0.055 nan 8.210 nan 0.000 0.429 126 A N 1.126 124.004 122.820 0.097 0.000 2.024 126 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 126 A C 2.418 180.075 177.584 0.121 0.000 1.164 126 A CA 1.591 53.699 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 -0.210 120.363 120.500 0.122 0.000 2.083 127 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 127 R C 1.752 178.142 176.300 0.150 0.000 1.137 127 R CA 2.271 58.467 56.100 0.160 0.000 0.951 127 R CB -0.442 29.953 30.300 0.159 0.000 0.851 127 R HN 0.319 nan 8.270 nan 0.000 0.434 128 V N 0.002 119.873 119.914 -0.072 0.000 2.379 128 V HA -0.039 4.081 4.120 -0.000 0.000 0.243 128 V C 0.380 176.463 176.094 -0.019 0.000 1.035 128 V CA 1.463 63.598 62.300 -0.276 0.000 1.035 128 V CB -0.248 31.249 31.823 -0.544 0.000 0.673 128 V HN 0.401 nan 8.190 nan 0.000 0.457 129 D N -2.001 118.400 120.400 0.002 0.000 2.890 129 D HA 0.537 5.177 4.640 -0.000 0.000 0.233 129 D C 0.393 176.749 176.300 0.093 0.000 1.306 129 D CA 0.220 54.249 54.000 0.048 0.000 0.929 129 D CB 1.924 42.740 40.800 0.026 0.000 1.512 129 D HN 0.050 nan 8.370 nan 0.000 0.568 130 A N 2.358 125.253 122.820 0.126 0.000 1.968 130 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 130 A C 1.963 179.669 177.584 0.202 0.000 1.169 130 A CA 1.435 53.571 52.037 0.166 0.000 0.638 130 A CB -0.240 18.865 19.000 0.175 0.000 0.812 130 A HN 0.511 nan 8.150 nan 0.000 0.446 131 S N -0.710 115.125 115.700 0.225 0.000 2.351 131 S HA -0.221 4.249 4.470 -0.000 0.000 0.220 131 S C 1.884 176.630 174.600 0.243 0.000 1.035 131 S CA 1.576 59.926 58.200 0.251 0.000 1.031 131 S CB -0.750 62.623 63.200 0.288 0.000 0.928 131 S HN 0.695 nan 8.310 nan 0.000 0.433 132 C N 1.154 120.557 119.300 0.171 0.000 2.419 132 C HA 0.036 4.496 4.460 -0.000 0.000 0.283 132 C C 3.149 178.299 174.990 0.266 0.000 1.373 132 C CA 0.859 59.991 59.018 0.190 0.000 1.781 132 C CB -1.363 26.396 27.740 0.031 0.000 1.886 132 C HN 0.679 nan 8.230 nan 0.000 0.520 133 S N 0.021 115.843 115.700 0.203 0.000 2.371 133 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 133 S C 1.899 176.618 174.600 0.198 0.000 1.029 133 S CA 2.206 60.513 58.200 0.180 0.000 0.978 133 S CB -0.305 62.988 63.200 0.156 0.000 0.833 133 S HN 0.666 nan 8.310 nan 0.000 0.466 134 T N 1.830 116.524 114.554 0.232 0.000 2.777 134 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 134 T C 1.339 176.166 174.700 0.212 0.000 1.040 134 T CA 1.359 63.590 62.100 0.219 0.000 1.141 134 T CB -0.574 68.405 68.868 0.184 0.000 0.868 134 T HN 0.542 nan 8.240 nan 0.000 0.444 135 F N 1.951 121.994 119.950 0.155 0.000 2.063 135 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 135 F C 1.926 177.814 175.800 0.148 0.000 1.109 135 F CA 1.232 59.334 58.000 0.170 0.000 1.212 135 F CB -0.612 38.571 39.000 0.306 0.000 0.973 135 F HN 0.097 nan 8.300 nan 0.000 0.480 136 I N -0.165 120.332 120.570 -0.122 0.000 2.252 136 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 136 I C 2.529 178.595 176.117 -0.086 0.000 1.102 136 I CA 1.300 62.463 61.300 -0.229 0.000 1.385 136 I CB -0.511 37.484 38.000 -0.007 0.000 1.064 136 I HN 0.304 nan 8.210 nan 0.000 0.414 137 L N 0.324 121.545 121.223 -0.004 0.000 2.012 137 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 137 L C 2.498 179.346 176.870 -0.038 0.000 1.073 137 L CA 1.510 56.348 54.840 -0.003 0.000 0.748 137 L CB -0.147 41.945 42.059 0.055 0.000 0.891 137 L HN -0.021 nan 8.230 nan 0.000 0.431 138 V N -0.635 119.273 119.914 -0.011 0.000 2.407 138 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 138 V C 2.386 178.451 176.094 -0.050 0.000 1.055 138 V CA 2.160 64.450 62.300 -0.016 0.000 1.049 138 V CB -0.871 30.976 31.823 0.040 0.000 0.662 138 V HN 0.679 nan 8.190 nan 0.000 0.455 139 H N -0.556 118.393 119.070 -0.202 0.000 2.326 139 H HA -0.113 4.443 4.556 -0.000 0.000 0.301 139 H C 2.533 177.770 175.328 -0.151 0.000 1.081 139 H CA 2.093 58.011 56.048 -0.218 0.000 1.334 139 H CB 0.068 29.584 29.762 -0.411 0.000 1.385 139 H HN 0.362 nan 8.280 nan 0.000 0.504 140 S N -1.375 114.274 115.700 -0.085 0.000 2.384 140 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 140 S C 2.172 176.687 174.600 -0.141 0.000 1.041 140 S CA 0.801 58.945 58.200 -0.093 0.000 0.948 140 S CB -0.288 62.923 63.200 0.018 0.000 0.872 140 S HN 0.462 nan 8.310 nan 0.000 0.512 141 S N 0.875 116.490 115.700 -0.142 0.000 2.461 141 S HA 0.295 4.765 4.470 -0.000 0.000 0.228 141 S C 1.551 175.982 174.600 -0.282 0.000 1.005 141 S CA 0.470 58.560 58.200 -0.184 0.000 0.942 141 S CB -0.067 63.033 63.200 -0.167 0.000 0.776 141 S HN 0.381 nan 8.310 nan 0.000 0.514 142 L N -0.187 120.835 121.223 -0.335 0.000 2.435 142 L HA 0.277 4.616 4.340 -0.000 0.000 0.195 142 L C 2.516 179.162 176.870 -0.373 0.000 1.072 142 L CA 0.659 55.127 54.840 -0.620 0.000 0.833 142 L CB -0.836 40.748 42.059 -0.793 0.000 1.081 142 L HN 0.355 nan 8.230 nan 0.000 0.485 143 G N 0.093 108.798 108.800 -0.158 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 1.498 176.329 174.900 -0.116 0.000 1.284 143 G CA 0.567 45.641 45.100 -0.043 0.000 0.823 143 G HN 0.061 nan 8.290 nan 0.000 0.569 144 M N -0.226 119.232 119.600 -0.238 0.000 2.082 144 M HA -0.099 4.381 4.480 -0.000 0.000 0.258 144 M C 2.570 178.801 176.300 -0.116 0.000 1.069 144 M CA 1.242 56.428 55.300 -0.190 0.000 1.102 144 M CB -0.479 31.996 32.600 -0.208 0.000 1.336 144 M HN 0.250 nan 8.290 nan 0.000 0.404 145 L N 0.084 121.237 121.223 -0.116 0.000 2.083 145 L HA -0.135 4.204 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 1.848 56.635 54.840 -0.088 0.000 0.752 145 L CB -0.728 41.261 42.059 -0.117 0.000 0.899 145 L HN 0.213 nan 8.230 nan 0.000 0.433 146 T N -0.144 114.400 114.554 -0.016 0.000 2.720 146 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 146 T C 1.929 176.630 174.700 0.001 0.000 1.037 146 T CA 2.079 64.225 62.100 0.076 0.000 1.144 146 T CB -0.330 68.716 68.868 0.297 0.000 0.864 146 T HN 0.321 nan 8.240 nan 0.000 0.444 147 I N 1.133 121.677 120.570 -0.043 0.000 2.252 147 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 147 I C 2.826 178.879 176.117 -0.106 0.000 1.102 147 I CA 1.015 62.266 61.300 -0.082 0.000 1.385 147 I CB -0.375 37.572 38.000 -0.088 0.000 1.064 147 I HN 0.185 nan 8.210 nan 0.000 0.414 148 A N 0.303 123.059 122.820 -0.106 0.000 2.015 148 A HA -0.065 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 1.351 53.313 52.037 -0.125 0.000 0.646 148 A CB -0.385 18.572 19.000 -0.073 0.000 0.806 148 A HN 0.421 nan 8.150 nan 0.000 0.448 149 L N -2.450 118.747 121.223 -0.044 0.000 2.467 149 L HA 0.038 4.378 4.340 -0.000 0.000 0.213 149 L C 1.824 178.678 176.870 -0.027 0.000 1.053 149 L CA 0.363 55.190 54.840 -0.022 0.000 0.847 149 L CB 0.185 42.239 42.059 -0.008 0.000 1.075 149 L HN 0.380 nan 8.230 nan 0.000 0.479 150 C N -0.380 118.900 119.300 -0.034 0.000 3.065 150 C HA 0.351 4.811 4.460 -0.000 0.000 0.285 150 C C 1.542 176.488 174.990 -0.074 0.000 1.257 150 C CA -0.617 58.373 59.018 -0.046 0.000 1.691 150 C CB -0.517 27.203 27.740 -0.033 0.000 2.089 150 C HN 0.422 nan 8.230 nan 0.000 0.630 151 G N 1.327 110.079 108.800 -0.079 0.000 2.599 151 G HA2 0.427 4.387 3.960 -0.000 0.000 0.264 151 G HA3 0.427 4.387 3.960 -0.000 0.000 0.264 151 G C 0.137 174.997 174.900 -0.067 0.000 1.200 151 G CA 0.222 45.273 45.100 -0.082 0.000 0.896 151 G HN 0.516 nan 8.290 nan 0.000 0.536 152 S N -0.636 115.035 115.700 -0.049 0.000 2.652 152 S HA 0.267 4.737 4.470 -0.000 0.000 0.270 152 S C 0.965 175.542 174.600 -0.038 0.000 1.243 152 S CA -0.468 57.714 58.200 -0.031 0.000 0.999 152 S CB 1.727 64.919 63.200 -0.014 0.000 0.973 152 S HN 0.565 nan 8.310 nan 0.000 0.544 153 E N 1.115 121.309 120.200 -0.010 0.000 2.160 153 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 153 E C 2.187 178.794 176.600 0.011 0.000 0.991 153 E CA 1.522 57.934 56.400 0.019 0.000 0.810 153 E CB -0.821 28.915 29.700 0.060 0.000 0.742 153 E HN 0.813 nan 8.360 nan 0.000 0.466 154 A N 0.857 123.677 122.820 -0.000 0.000 1.968 154 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 154 A C 2.102 179.658 177.584 -0.045 0.000 1.169 154 A CA 1.212 53.241 52.037 -0.013 0.000 0.638 154 A CB -0.285 18.711 19.000 -0.006 0.000 0.812 154 A HN 0.198 nan 8.150 nan 0.000 0.446 155 Q N -0.350 119.439 119.800 -0.019 0.000 2.096 155 Q HA -0.079 4.261 4.340 -0.000 0.000 0.197 155 Q C 1.995 177.996 176.000 0.001 0.000 0.964 155 Q CA 1.355 57.185 55.803 0.044 0.000 0.838 155 Q CB -0.123 28.693 28.738 0.131 0.000 0.906 155 Q HN 0.623 nan 8.270 nan 0.000 0.444 156 K N 0.732 121.053 120.400 -0.130 0.000 2.032 156 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 156 K C 1.873 178.339 176.600 -0.223 0.000 1.048 156 K CA 1.091 57.161 56.287 -0.361 0.000 0.927 156 K CB 0.012 31.985 32.500 -0.878 0.000 0.712 156 K HN 0.150 nan 8.250 nan 0.000 0.441 157 E N 0.687 120.859 120.200 -0.047 0.000 2.347 157 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 157 E C 1.774 178.364 176.600 -0.018 0.000 1.008 157 E CA 0.779 57.239 56.400 0.100 0.000 0.852 157 E CB 0.214 29.985 29.700 0.118 0.000 0.783 157 E HN 0.276 nan 8.360 nan 0.000 0.505 158 K N -0.379 119.931 120.400 -0.149 0.000 2.141 158 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 158 K C 1.574 177.966 176.600 -0.347 0.000 1.045 158 K CA 0.575 56.660 56.287 -0.337 0.000 0.971 158 K CB 0.192 32.313 32.500 -0.631 0.000 0.795 158 K HN 0.032 nan 8.250 nan 0.000 0.459 159 Y N 0.628 120.922 120.300 -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 0.004 0.000 1.139 159 Y CA 0.093 58.190 58.100 -0.005 0.000 1.162 159 Y CB -0.182 38.261 38.460 -0.028 0.000 1.121 159 Y HN -0.125 nan 8.280 nan 0.000 0.529 160 L N 0.374 121.677 121.223 0.134 0.000 2.034 160 L HA -0.242 4.097 4.340 -0.000 0.000 0.217 160 L C -0.613 176.324 176.870 0.112 0.000 1.077 160 L CA 1.742 56.633 54.840 0.084 0.000 0.769 160 L CB -1.931 40.142 42.059 0.023 0.000 0.890 160 L HN 0.196 nan 8.230 nan 0.000 0.435 161 P HA -0.202 nan 4.420 nan 0.000 0.216 161 P C 1.919 179.281 177.300 0.104 0.000 1.153 161 P CA 1.814 64.978 63.100 0.107 0.000 0.858 161 P CB 0.025 31.778 31.700 0.088 0.000 0.789 162 S N -1.817 113.949 115.700 0.111 0.000 2.414 162 S HA -0.045 4.424 4.470 -0.000 0.000 0.227 162 S C 1.681 176.374 174.600 0.155 0.000 1.022 162 S CA 0.627 58.900 58.200 0.122 0.000 0.958 162 S CB -0.805 62.469 63.200 0.123 0.000 0.797 162 S HN -0.104 nan 8.310 nan 0.000 0.493 163 L N 1.448 122.775 121.223 0.173 0.000 2.156 163 L HA 0.204 4.544 4.340 -0.000 0.000 0.208 163 L C 2.635 179.682 176.870 0.296 0.000 1.095 163 L CA 1.473 56.459 54.840 0.244 0.000 0.770 163 L CB -0.842 41.289 42.059 0.120 0.000 0.914 163 L HN 0.350 nan 8.230 nan 0.000 0.439 164 A N -1.459 121.471 122.820 0.183 0.000 1.968 164 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 164 A C 2.074 179.732 177.584 0.122 0.000 1.169 164 A CA 0.991 53.118 52.037 0.151 0.000 0.638 164 A CB -0.238 18.827 19.000 0.109 0.000 0.812 164 A HN 0.384 nan 8.150 nan 0.000 0.446 165 Q N -1.476 118.393 119.800 0.115 0.000 2.403 165 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 165 Q C -0.205 175.850 176.000 0.092 0.000 0.932 165 Q CA 0.004 55.862 55.803 0.091 0.000 0.945 165 Q CB 0.346 29.134 28.738 0.083 0.000 1.045 165 Q HN 0.422 nan 8.270 nan 0.000 0.511 166 L N 0.235 121.520 121.223 0.103 0.000 4.040 166 L HA -0.298 4.042 4.340 -0.000 0.000 0.410 166 L C 0.519 177.465 176.870 0.126 0.000 1.187 166 L CA 0.798 55.687 54.840 0.081 0.000 0.956 166 L CB -2.423 39.674 42.059 0.064 0.000 2.022 166 L HN 0.309 nan 8.230 nan 0.000 0.897 167 N N -1.519 117.260 118.700 0.130 0.000 2.354 167 N HA 0.047 4.787 4.740 -0.000 0.000 0.179 167 N C 0.503 176.107 175.510 0.156 0.000 1.021 167 N CA 1.107 54.235 53.050 0.131 0.000 0.887 167 N CB 0.230 38.783 38.487 0.110 0.000 0.974 167 N HN 0.676 nan 8.380 nan 0.000 0.437 168 T N -1.462 113.199 114.554 0.179 0.000 2.876 168 T HA 0.595 4.945 4.350 -0.000 0.000 0.289 168 T C -0.571 174.289 174.700 0.266 0.000 1.014 168 T CA -0.859 61.362 62.100 0.202 0.000 0.986 168 T CB 2.493 71.472 68.868 0.184 0.000 1.021 168 T HN -0.316 nan 8.240 nan 0.000 0.458 169 V N 1.741 121.812 119.914 0.262 0.000 2.459 169 V HA 0.807 4.927 4.120 -0.000 0.000 0.295 169 V C 0.317 176.539 176.094 0.214 0.000 1.029 169 V CA -0.826 61.659 62.300 0.308 0.000 0.874 169 V CB 1.216 33.238 31.823 0.332 0.000 0.985 169 V HN 1.312 nan 8.190 nan 0.000 0.438 170 A N 3.705 126.679 122.820 0.256 0.000 2.330 170 A HA 0.920 5.239 4.320 -0.000 0.000 0.329 170 A C -0.204 177.373 177.584 -0.010 0.000 1.135 170 A CA -0.423 51.616 52.037 0.003 0.000 0.817 170 A CB 1.435 20.344 19.000 -0.152 0.000 1.269 170 A HN 1.363 nan 8.150 nan 0.000 0.469 171 C N -1.634 117.657 119.300 -0.015 0.000 2.994 171 C HA 0.880 5.339 4.460 -0.000 0.000 0.304 171 C C -1.246 173.837 174.990 0.155 0.000 1.273 171 C CA -0.984 58.055 59.018 0.036 0.000 1.537 171 C CB 0.450 28.169 27.740 -0.035 0.000 2.001 171 C HN 0.918 nan 8.230 nan 0.000 0.471 172 W N 2.141 123.441 121.300 0.000 0.000 2.417 172 W HA 0.634 5.294 4.660 -0.000 0.000 0.315 172 W C -0.224 176.360 176.519 0.108 0.000 1.045 172 W CA -0.433 56.959 57.345 0.078 0.000 1.221 172 W CB 1.798 31.306 29.460 0.080 0.000 1.309 172 W HN 1.113 nan 8.180 nan 0.000 0.453 173 A N 6.780 129.535 122.820 -0.108 0.000 2.802 173 A HA 0.404 4.724 4.320 -0.000 0.000 0.344 173 A C -0.347 177.140 177.584 -0.162 0.000 1.215 173 A CA -0.348 51.642 52.037 -0.079 0.000 0.821 173 A CB 0.348 19.324 19.000 -0.040 0.000 1.099 173 A HN 0.753 nan 8.150 nan 0.000 0.479 174 L N 1.682 122.716 121.223 -0.316 0.000 2.445 174 L HA 0.280 4.620 4.340 -0.000 0.000 0.207 174 L C 0.995 177.772 176.870 -0.155 0.000 1.053 174 L CA 1.496 56.095 54.840 -0.403 0.000 0.841 174 L CB 0.100 41.688 42.059 -0.784 0.000 1.074 174 L HN 0.407 nan 8.230 nan 0.000 0.479 175 T N 1.470 116.000 114.554 -0.039 0.000 2.918 175 T HA 0.279 4.629 4.350 -0.000 0.000 0.302 175 T C -0.245 174.481 174.700 0.043 0.000 1.045 175 T CA -0.146 61.974 62.100 0.032 0.000 1.114 175 T CB 0.698 69.641 68.868 0.125 0.000 0.965 175 T HN 0.243 nan 8.240 nan 0.000 0.540 176 E N 2.077 122.303 120.200 0.043 0.000 2.392 176 E HA 0.262 4.612 4.350 -0.000 0.000 0.269 176 E C -1.890 174.752 176.600 0.070 0.000 0.924 176 E CA -2.329 54.093 56.400 0.037 0.000 0.784 176 E CB 1.761 31.461 29.700 -0.001 0.000 1.292 176 E HN 0.226 nan 8.360 nan 0.000 0.447 177 P HA -0.135 nan 4.420 nan 0.000 0.216 177 P C 0.289 177.620 177.300 0.052 0.000 1.153 177 P CA 1.257 64.395 63.100 0.063 0.000 0.848 177 P CB 0.271 31.986 31.700 0.024 0.000 0.787 178 D N -1.627 118.789 120.400 0.027 0.000 2.149 178 D HA -0.026 4.613 4.640 -0.000 0.000 0.201 178 D C 0.395 176.703 176.300 0.013 0.000 0.972 178 D CA 1.053 55.063 54.000 0.017 0.000 0.835 178 D CB -0.270 40.532 40.800 0.003 0.000 0.966 178 D HN 0.115 nan 8.370 nan 0.000 0.476 179 N N -0.325 118.379 118.700 0.007 0.000 2.483 179 N HA 0.373 5.113 4.740 -0.000 0.000 0.267 179 N C 0.277 175.787 175.510 0.001 0.000 0.998 179 N CA -0.132 52.911 53.050 -0.011 0.000 0.918 179 N CB 2.117 40.575 38.487 -0.048 0.000 1.215 179 N HN 0.098 nan 8.380 nan 0.000 0.500 180 G N 0.649 109.458 108.800 0.014 0.000 2.531 180 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.210 180 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.210 180 G C 1.056 175.964 174.900 0.013 0.000 1.547 180 G CA 0.150 45.266 45.100 0.027 0.000 0.740 180 G HN 0.417 nan 8.290 nan 0.000 0.611 181 S N 0.652 116.366 115.700 0.023 0.000 2.387 181 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 181 S C 1.056 175.674 174.600 0.029 0.000 1.026 181 S CA 0.894 59.117 58.200 0.038 0.000 0.972 181 S CB -0.111 63.120 63.200 0.052 0.000 0.814 181 S HN 0.389 nan 8.310 nan 0.000 0.477 182 D N 1.285 121.688 120.400 0.005 0.000 2.688 182 D HA 0.447 5.087 4.640 -0.000 0.000 0.228 182 D C 0.888 177.121 176.300 -0.113 0.000 1.116 182 D CA -0.061 53.918 54.000 -0.035 0.000 1.023 182 D CB 0.041 40.830 40.800 -0.018 0.000 1.100 182 D HN 0.192 nan 8.370 nan 0.000 0.487 183 A N 0.942 123.662 122.820 -0.167 0.000 1.968 183 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 183 A C 2.170 179.427 177.584 -0.546 0.000 1.169 183 A CA 1.330 53.191 52.037 -0.294 0.000 0.638 183 A CB -0.377 18.472 19.000 -0.252 0.000 0.812 183 A HN 0.472 nan 8.150 nan 0.000 0.446 184 S N -0.816 114.493 115.700 -0.653 0.000 2.507 184 S HA 0.127 4.597 4.470 -0.000 0.000 0.235 184 S C 1.324 175.720 174.600 -0.341 0.000 0.988 184 S CA 0.792 58.557 58.200 -0.725 0.000 0.944 184 S CB -0.380 62.529 63.200 -0.484 0.000 0.762 184 S HN 0.689 nan 8.310 nan 0.000 0.526 185 G N 2.119 110.778 108.800 -0.235 0.000 3.820 185 G HA2 0.495 4.455 3.960 -0.000 0.000 0.293 185 G HA3 0.495 4.455 3.960 -0.000 0.000 0.293 185 G C 0.192 175.024 174.900 -0.113 0.000 1.152 185 G CA -0.762 44.257 45.100 -0.135 0.000 0.921 185 G HN 0.610 nan 8.290 nan 0.000 0.544 186 L N -2.380 118.757 121.223 -0.143 0.000 2.476 186 L HA 0.735 5.074 4.340 -0.000 0.000 0.264 186 L C 0.962 177.795 176.870 -0.063 0.000 1.224 186 L CA 0.003 54.783 54.840 -0.101 0.000 0.821 186 L CB 0.994 42.982 42.059 -0.118 0.000 1.101 186 L HN -0.055 nan 8.230 nan 0.000 0.488 187 G N -0.046 108.726 108.800 -0.046 0.000 3.596 187 G HA2 0.150 4.110 3.960 -0.000 0.000 0.274 187 G HA3 0.150 4.110 3.960 -0.000 0.000 0.274 187 G C 0.247 175.128 174.900 -0.031 0.000 1.007 187 G CA -0.095 44.985 45.100 -0.033 0.000 0.825 187 G HN 0.622 nan 8.290 nan 0.000 0.508 188 T N 2.406 116.938 114.554 -0.037 0.000 2.752 188 T HA 0.400 4.750 4.350 -0.000 0.000 0.295 188 T C 0.664 175.333 174.700 -0.053 0.000 0.923 188 T CA 0.061 62.133 62.100 -0.048 0.000 1.112 188 T CB 0.969 69.804 68.868 -0.056 0.000 0.884 188 T HN 0.302 nan 8.240 nan 0.000 0.525 189 T N 0.312 114.834 114.554 -0.054 0.000 2.909 189 T HA 0.641 4.991 4.350 -0.000 0.000 0.286 189 T C 0.042 174.689 174.700 -0.089 0.000 1.002 189 T CA -1.102 60.972 62.100 -0.043 0.000 1.074 189 T CB 1.359 70.218 68.868 -0.015 0.000 0.984 189 T HN 0.536 nan 8.240 nan 0.000 0.495 190 A N 3.052 125.834 122.820 -0.063 0.000 2.802 190 A HA 0.564 4.884 4.320 -0.000 0.000 0.344 190 A C 0.601 178.301 177.584 0.193 0.000 1.215 190 A CA -0.974 50.998 52.037 -0.108 0.000 0.821 190 A CB -0.440 18.363 19.000 -0.327 0.000 1.099 190 A HN 0.983 nan 8.150 nan 0.000 0.479 191 T N -0.359 114.288 114.554 0.154 0.000 2.814 191 T HA 0.372 4.722 4.350 -0.000 0.000 0.297 191 T C 0.040 174.869 174.700 0.215 0.000 0.956 191 T CA -0.447 61.759 62.100 0.176 0.000 1.123 191 T CB 0.936 69.852 68.868 0.080 0.000 0.902 191 T HN 0.471 nan 8.240 nan 0.000 0.528 192 K N 2.482 122.953 120.400 0.117 0.000 2.339 192 K HA 0.455 4.775 4.320 -0.000 0.000 0.286 192 K C -0.656 175.841 176.600 -0.172 0.000 1.050 192 K CA -0.423 55.717 56.287 -0.245 0.000 0.956 192 K CB 0.377 32.642 32.500 -0.391 0.000 0.990 192 K HN 0.573 nan 8.250 nan 0.000 0.475 193 V N 2.941 122.734 119.914 -0.201 0.000 3.158 193 V HA 0.334 4.454 4.120 -0.000 0.000 0.315 193 V C -0.811 175.224 176.094 -0.099 0.000 1.148 193 V CA -0.982 61.272 62.300 -0.076 0.000 1.042 193 V CB 1.846 33.699 31.823 0.049 0.000 1.101 193 V HN 0.946 nan 8.190 nan 0.000 0.448 194 E N 1.092 121.271 120.200 -0.036 0.000 2.328 194 E HA 0.342 4.691 4.350 -0.000 0.000 0.265 194 E C 0.873 177.495 176.600 0.036 0.000 1.057 194 E CA 0.997 57.380 56.400 -0.030 0.000 0.916 194 E CB 0.245 29.929 29.700 -0.026 0.000 0.993 194 E HN 1.206 nan 8.360 nan 0.000 0.446 195 G N 2.752 111.558 108.800 0.009 0.000 2.199 195 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 195 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 195 G C 0.432 175.401 174.900 0.115 0.000 0.982 195 G CA 0.040 45.195 45.100 0.092 0.000 0.632 195 G HN 1.078 nan 8.290 nan 0.000 0.529 196 G N -1.822 106.960 108.800 -0.030 0.000 2.485 196 G HA2 0.515 4.474 3.960 -0.000 0.000 0.182 196 G HA3 0.515 4.474 3.960 -0.000 0.000 0.182 196 G C -1.586 172.994 174.900 -0.533 0.000 1.172 196 G CA -0.003 44.920 45.100 -0.295 0.000 0.996 196 G HN 0.788 nan 8.290 nan 0.000 0.496 197 W N 0.022 121.169 121.300 -0.255 0.000 2.962 197 W HA 0.763 5.422 4.660 -0.000 0.000 0.341 197 W C -0.452 175.973 176.519 -0.158 0.000 1.155 197 W CA -0.765 56.486 57.345 -0.158 0.000 1.165 197 W CB 1.938 31.282 29.460 -0.194 0.000 1.435 197 W HN 0.079 nan 8.180 nan 0.000 0.546 198 K N 3.087 123.573 120.400 0.144 0.000 2.449 198 K HA 0.360 4.679 4.320 -0.000 0.000 0.257 198 K C -0.785 175.794 176.600 -0.034 0.000 0.989 198 K CA -0.626 55.704 56.287 0.072 0.000 0.916 198 K CB 1.078 33.633 32.500 0.093 0.000 1.136 198 K HN 0.331 nan 8.250 nan 0.000 0.439 199 I N 2.823 123.316 120.570 -0.128 0.000 2.396 199 I HA 0.189 4.358 4.170 -0.000 0.000 0.289 199 I C 0.090 176.139 176.117 -0.113 0.000 1.056 199 I CA -0.200 60.972 61.300 -0.213 0.000 1.365 199 I CB 0.210 38.013 38.000 -0.328 0.000 1.407 199 I HN 0.294 nan 8.210 nan 0.000 0.509 200 N N 4.853 123.496 118.700 -0.096 0.000 2.346 200 N HA 0.764 5.503 4.740 -0.000 0.000 0.289 200 N C 0.019 175.494 175.510 -0.058 0.000 1.027 200 N CA -0.210 52.806 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 0.540 109.311 108.800 -0.049 0.000 2.343 201 G HA2 0.092 4.052 3.960 -0.000 0.000 0.289 201 G HA3 0.092 4.052 3.960 -0.000 0.000 0.289 201 G C -2.102 172.774 174.900 -0.040 0.000 1.295 201 G CA -0.645 44.429 45.100 -0.043 0.000 0.869 201 G HN 0.443 nan 8.290 nan 0.000 0.522 202 Q N -0.353 119.427 119.800 -0.034 0.000 2.397 202 Q HA 0.651 4.991 4.340 -0.000 0.000 0.275 202 Q C -1.179 174.805 176.000 -0.026 0.000 1.090 202 Q CA -0.942 54.843 55.803 -0.031 0.000 0.809 202 Q CB 1.844 30.567 28.738 -0.026 0.000 1.362 202 Q HN 0.386 nan 8.270 nan 0.000 0.431 203 K N 2.231 122.616 120.400 -0.026 0.000 2.385 203 K HA 0.569 4.889 4.320 -0.000 0.000 0.248 203 K C -1.187 175.406 176.600 -0.013 0.000 0.955 203 K CA -0.711 55.569 56.287 -0.011 0.000 0.816 203 K CB 2.472 34.964 32.500 -0.015 0.000 1.250 203 K HN 0.644 nan 8.250 nan 0.000 0.434 204 R N 0.354 120.870 120.500 0.028 0.000 2.604 204 R HA 0.274 4.613 4.340 -0.000 0.000 0.281 204 R C -0.882 175.514 176.300 0.161 0.000 1.020 204 R CA -0.196 55.898 56.100 -0.010 0.000 0.899 204 R CB 0.901 31.181 30.300 -0.033 0.000 1.205 204 R HN 0.809 nan 8.270 nan 0.000 0.450 205 W N 2.218 123.518 121.300 0.000 0.000 1.266 205 W HA -0.191 4.469 4.660 -0.000 0.000 0.245 205 W C -0.533 175.984 176.519 -0.004 0.000 1.005 205 W CA -0.319 57.026 57.345 -0.000 0.000 0.396 205 W CB -1.360 28.107 29.460 0.012 0.000 2.016 205 W HN 0.388 nan 8.180 nan 0.000 1.120 206 I N 1.826 122.495 120.570 0.165 0.000 2.581 206 I HA 0.296 4.465 4.170 -0.000 0.000 0.285 206 I C 1.468 177.626 176.117 0.069 0.000 1.129 206 I CA 1.029 62.399 61.300 0.116 0.000 1.397 206 I CB -0.121 37.916 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 0.077 0.000 2.406 207 G HA2 0.248 4.208 3.960 -0.000 0.000 0.251 207 G HA3 0.248 4.208 3.960 -0.000 0.000 0.251 207 G C 0.639 175.510 174.900 -0.049 0.000 1.271 207 G CA -0.242 44.884 45.100 0.042 0.000 0.859 207 G HN 0.782 nan 8.290 nan 0.000 0.540 208 N N -0.059 118.549 118.700 -0.154 0.000 2.967 208 N HA -0.314 4.425 4.740 -0.000 0.000 0.218 208 N C 1.978 177.076 175.510 -0.686 0.000 0.870 208 N CA 1.827 54.498 53.050 -0.633 0.000 1.030 208 N CB -1.421 36.785 38.487 -0.469 0.000 1.027 208 N HN 0.808 nan 8.380 nan 0.000 0.603 209 S N -0.098 115.433 115.700 -0.282 0.000 2.392 209 S HA -0.239 4.231 4.470 -0.000 0.000 0.232 209 S C 1.976 176.488 174.600 -0.147 0.000 1.041 209 S CA 2.371 60.465 58.200 -0.175 0.000 1.026 209 S CB -1.194 61.960 63.200 -0.077 0.000 0.845 209 S HN 0.654 nan 8.310 nan 0.000 0.465 210 T N -0.708 113.789 114.554 -0.096 0.000 3.007 210 T HA 0.047 4.397 4.350 -0.000 0.000 0.270 210 T C 1.139 175.934 174.700 0.158 0.000 1.107 210 T CA 0.896 63.028 62.100 0.054 0.000 1.118 210 T CB -0.750 68.205 68.868 0.145 0.000 0.889 210 T HN 0.809 nan 8.240 nan 0.000 0.506 211 F N -0.346 119.643 119.950 0.065 0.000 2.915 211 F HA 0.800 5.327 4.527 -0.000 0.000 0.347 211 F C 0.406 176.260 175.800 0.089 0.000 1.104 211 F CA -1.706 56.348 58.000 0.089 0.000 1.126 211 F CB -0.188 38.922 39.000 0.183 0.000 1.145 211 F HN 0.164 nan 8.300 nan 0.000 0.541 212 A N 1.273 123.929 122.820 -0.272 0.000 2.477 212 A HA 0.304 4.624 4.320 -0.000 0.000 0.246 212 A C 0.447 178.029 177.584 -0.003 0.000 1.078 212 A CA 0.193 52.136 52.037 -0.156 0.000 0.770 212 A CB 0.006 18.880 19.000 -0.210 0.000 1.011 212 A HN 0.454 nan 8.150 nan 0.000 0.494 213 D N 0.660 121.092 120.400 0.054 0.000 2.162 213 D HA 0.112 4.752 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 0.960 54.996 54.000 0.060 0.000 0.840 213 D CB -0.063 40.798 40.800 0.103 0.000 0.972 213 D HN 0.344 nan 8.370 nan 0.000 0.482 214 L N 0.621 121.829 121.223 -0.024 0.000 2.322 214 L HA 0.398 4.738 4.340 -0.000 0.000 0.281 214 L C -1.175 175.641 176.870 -0.089 0.000 1.014 214 L CA -0.459 54.323 54.840 -0.096 0.000 0.815 214 L CB 1.803 43.761 42.059 -0.168 0.000 1.247 214 L HN -0.109 nan 8.230 nan 0.000 0.421 215 L N 5.258 126.422 121.223 -0.098 0.000 2.366 215 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 215 L C -0.183 176.622 176.870 -0.108 0.000 1.010 215 L CA 0.081 54.871 54.840 -0.082 0.000 0.879 215 L CB 0.899 42.916 42.059 -0.070 0.000 1.228 215 L HN 0.416 nan 8.230 nan 0.000 0.439 216 I N 4.476 124.986 120.570 -0.100 0.000 2.357 216 I HA 0.114 4.284 4.170 -0.000 0.000 0.300 216 I C 0.003 175.977 176.117 -0.237 0.000 1.159 216 I CA 0.351 61.545 61.300 -0.176 0.000 1.339 216 I CB -0.200 37.747 38.000 -0.089 0.000 1.458 216 I HN 0.436 nan 8.210 nan 0.000 0.577 217 I N 5.785 126.223 120.570 -0.218 0.000 2.331 217 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 217 I C -0.230 175.766 176.117 -0.202 0.000 0.998 217 I CA -0.415 60.794 61.300 -0.151 0.000 1.267 217 I CB 0.839 38.775 38.000 -0.106 0.000 1.386 217 I HN 0.245 nan 8.210 nan 0.000 0.476 218 F N 5.205 125.046 119.950 -0.181 0.000 2.411 218 F HA 0.627 5.154 4.527 -0.000 0.000 0.350 218 F C 0.600 176.362 175.800 -0.063 0.000 1.114 218 F CA -0.142 57.787 58.000 -0.118 0.000 1.135 218 F CB 1.254 40.119 39.000 -0.224 0.000 1.120 218 F HN 0.447 nan 8.300 nan 0.000 0.495 219 A N 3.780 126.696 122.820 0.161 0.000 2.532 219 A HA 0.759 5.079 4.320 -0.000 0.000 0.290 219 A C -0.922 176.710 177.584 0.081 0.000 1.143 219 A CA -1.037 51.028 52.037 0.045 0.000 0.728 219 A CB 1.442 20.343 19.000 -0.166 0.000 1.317 219 A HN 0.705 nan 8.150 nan 0.000 0.414 220 R N 1.579 122.091 120.500 0.019 0.000 2.196 220 R HA 0.139 4.479 4.340 -0.000 0.000 0.340 220 R C -0.371 175.954 176.300 0.042 0.000 1.043 220 R CA -0.455 55.663 56.100 0.030 0.000 0.883 220 R CB 0.276 30.581 30.300 0.010 0.000 1.078 220 R HN 0.750 nan 8.270 nan 0.000 0.462 221 N N 2.961 121.697 118.700 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 0.463 53.576 53.050 0.105 0.000 0.943 221 N CB 1.001 39.532 38.487 0.073 0.000 1.266 221 N HN 0.676 nan 8.380 nan 0.000 0.486 222 T N 0.212 114.858 114.554 0.153 0.000 2.929 222 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 222 T C 1.515 176.279 174.700 0.107 0.000 1.085 222 T CA 1.545 63.710 62.100 0.109 0.000 1.125 222 T CB -0.181 68.746 68.868 0.097 0.000 0.874 222 T HN 0.398 nan 8.240 nan 0.000 0.494 223 T N 2.295 116.938 114.554 0.149 0.000 2.809 223 T HA -0.029 4.320 4.350 -0.000 0.000 0.260 223 T C 2.332 177.088 174.700 0.093 0.000 1.039 223 T CA 1.637 63.807 62.100 0.117 0.000 1.141 223 T CB -0.573 68.379 68.868 0.140 0.000 0.869 223 T HN 0.763 nan 8.240 nan 0.000 0.437 224 T N -0.798 113.819 114.554 0.104 0.000 3.044 224 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 224 T C 1.020 175.755 174.700 0.057 0.000 1.081 224 T CA 0.098 62.242 62.100 0.075 0.000 1.040 224 T CB -0.247 68.667 68.868 0.076 0.000 0.962 224 T HN 0.277 nan 8.240 nan 0.000 0.506 225 N N 1.200 119.935 118.700 0.059 0.000 2.741 225 N HA -0.141 4.599 4.740 -0.000 0.000 0.250 225 N C -0.784 174.749 175.510 0.037 0.000 1.115 225 N CA 0.695 53.771 53.050 0.042 0.000 0.724 225 N CB -0.635 37.871 38.487 0.031 0.000 1.090 225 N HN 0.585 nan 8.380 nan 0.000 0.558 226 Q N -0.147 119.680 119.800 0.045 0.000 2.418 226 Q HA 0.519 4.859 4.340 -0.000 0.000 0.276 226 Q C 0.038 176.068 176.000 0.050 0.000 1.081 226 Q CA -0.644 55.186 55.803 0.046 0.000 0.864 226 Q CB 1.090 29.855 28.738 0.046 0.000 1.384 226 Q HN 0.216 nan 8.270 nan 0.000 0.467 227 I N 1.469 122.084 120.570 0.075 0.000 2.342 227 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 227 I C -0.231 175.930 176.117 0.074 0.000 1.010 227 I CA -0.031 61.334 61.300 0.110 0.000 1.308 227 I CB 0.453 38.566 38.000 0.189 0.000 1.400 227 I HN 0.320 nan 8.210 nan 0.000 0.488 228 N N 2.797 121.499 118.700 0.004 0.000 2.328 228 N HA 0.746 5.485 4.740 -0.000 0.000 0.299 228 N C -0.316 174.901 175.510 -0.489 0.000 1.179 228 N CA -0.626 52.257 53.050 -0.278 0.000 0.793 228 N CB 1.953 40.117 38.487 -0.538 0.000 1.366 228 N HN 0.707 nan 8.380 nan 0.000 0.493 229 G N 0.249 108.569 108.800 -0.800 0.000 2.348 229 G HA2 0.628 4.588 3.960 -0.000 0.000 0.312 229 G HA3 0.628 4.588 3.960 -0.000 0.000 0.312 229 G C -1.292 172.944 174.900 -1.107 0.000 1.126 229 G CA -0.167 44.347 45.100 -0.977 0.000 0.865 229 G HN 0.333 nan 8.290 nan 0.000 0.474 230 F N 0.899 120.511 119.950 -0.564 0.000 2.547 230 F HA 0.421 4.947 4.527 -0.000 0.000 0.316 230 F C 0.168 175.757 175.800 -0.353 0.000 1.121 230 F CA -0.814 56.935 58.000 -0.418 0.000 0.911 230 F CB 2.358 41.120 39.000 -0.396 0.000 1.179 230 F HN 0.217 nan 8.300 nan 0.000 0.443 231 I N 4.327 124.817 120.570 -0.134 0.000 2.281 231 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 231 I C -0.675 175.369 176.117 -0.121 0.000 1.085 231 I CA -0.511 60.677 61.300 -0.186 0.000 1.257 231 I CB 0.467 38.288 38.000 -0.298 0.000 1.430 231 I HN 0.221 nan 8.210 nan 0.000 0.489 232 V N 7.334 127.183 119.914 -0.109 0.000 2.407 232 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 232 V C 0.555 176.609 176.094 -0.067 0.000 1.037 232 V CA -0.908 61.347 62.300 -0.075 0.000 0.900 232 V CB 1.121 32.899 31.823 -0.074 0.000 0.983 232 V HN 0.543 nan 8.190 nan 0.000 0.459 233 K N 3.314 123.696 120.400 -0.031 0.000 2.168 233 K HA 0.279 4.598 4.320 -0.000 0.000 0.258 233 K C 0.169 176.772 176.600 0.004 0.000 1.010 233 K CA -0.522 55.761 56.287 -0.006 0.000 0.929 233 K CB 0.917 33.439 32.500 0.037 0.000 0.998 233 K HN 0.547 nan 8.250 nan 0.000 0.479 234 K N 1.290 121.700 120.400 0.017 0.000 2.319 234 K HA -0.115 4.205 4.320 -0.000 0.000 0.265 234 K C -0.286 176.333 176.600 0.030 0.000 1.000 234 K CA 0.439 56.740 56.287 0.024 0.000 0.943 234 K CB 0.327 32.853 32.500 0.042 0.000 0.950 234 K HN 0.529 nan 8.250 nan 0.000 0.485 235 D N -0.544 119.872 120.400 0.026 0.000 3.006 235 D HA -0.214 4.425 4.640 -0.000 0.000 0.208 235 D C -0.385 175.932 176.300 0.028 0.000 1.116 235 D CA 1.411 55.428 54.000 0.027 0.000 0.998 235 D CB -1.209 39.610 40.800 0.032 0.000 1.124 235 D HN 0.716 nan 8.370 nan 0.000 0.413 236 A N 0.988 123.826 122.820 0.029 0.000 2.584 236 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 236 A C -1.961 175.643 177.584 0.034 0.000 1.043 236 A CA -0.298 51.762 52.037 0.039 0.000 0.756 236 A CB 0.087 19.111 19.000 0.039 0.000 0.963 236 A HN -0.066 nan 8.150 nan 0.000 0.511 237 P HA 0.238 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 1.823 64.941 63.100 0.030 0.000 0.761 237 P CB 0.539 32.257 31.700 0.031 0.000 0.785 238 G N 1.808 110.617 108.800 0.015 0.000 2.194 238 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.236 238 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.236 238 G C -0.317 174.582 174.900 -0.001 0.000 0.987 238 G CA -0.133 44.971 45.100 0.008 0.000 0.635 238 G HN 0.608 nan 8.290 nan 0.000 0.520 239 L N 0.928 122.151 121.223 0.000 0.000 2.289 239 L HA 0.867 5.207 4.340 -0.000 0.000 0.285 239 L C -0.097 176.769 176.870 -0.007 0.000 1.049 239 L CA -0.684 54.151 54.840 -0.008 0.000 0.804 239 L CB 1.374 43.427 42.059 -0.009 0.000 1.195 239 L HN 0.139 nan 8.230 nan 0.000 0.428 240 K N 4.559 124.951 120.400 -0.013 0.000 2.687 240 K HA 0.720 5.040 4.320 -0.000 0.000 0.249 240 K C -1.691 174.898 176.600 -0.017 0.000 0.994 240 K CA -0.437 55.843 56.287 -0.011 0.000 0.913 240 K CB 1.395 33.889 32.500 -0.011 0.000 1.202 240 K HN 0.779 nan 8.250 nan 0.000 0.460 241 A N 2.799 125.611 122.820 -0.013 0.000 2.267 241 A HA 0.454 4.774 4.320 -0.000 0.000 0.315 241 A C -0.263 177.315 177.584 -0.011 0.000 1.297 241 A CA -0.554 51.471 52.037 -0.019 0.000 0.865 241 A CB 0.618 19.605 19.000 -0.021 0.000 1.165 241 A HN 0.642 nan 8.150 nan 0.000 0.513 242 T N 0.080 114.620 114.554 -0.025 0.000 2.859 242 T HA 0.505 4.855 4.350 -0.000 0.000 0.281 242 T C -0.113 174.567 174.700 -0.035 0.000 1.005 242 T CA -0.844 61.243 62.100 -0.022 0.000 1.025 242 T CB 1.217 70.066 68.868 -0.031 0.000 0.977 242 T HN 0.644 nan 8.240 nan 0.000 0.458 243 K N 2.629 123.021 120.400 -0.014 0.000 2.448 243 K HA 0.199 4.518 4.320 -0.000 0.000 0.278 243 K C -0.434 176.125 176.600 -0.069 0.000 1.009 243 K CA -0.386 55.891 56.287 -0.017 0.000 0.995 243 K CB 0.169 32.681 32.500 0.021 0.000 0.917 243 K HN 0.632 nan 8.250 nan 0.000 0.481 244 I N 8.074 128.575 120.570 -0.113 0.000 2.337 244 I HA 0.178 4.347 4.170 -0.000 0.000 0.291 244 I C -1.755 174.289 176.117 -0.122 0.000 1.046 244 I CA -1.954 59.233 61.300 -0.189 0.000 1.324 244 I CB 1.015 38.781 38.000 -0.390 0.000 1.409 244 I HN 0.613 nan 8.210 nan 0.000 0.494 245 P HA 0.363 nan 4.420 nan 0.000 0.286 245 P C -0.786 176.482 177.300 -0.052 0.000 1.292 245 P CA -0.454 62.609 63.100 -0.060 0.000 0.842 245 P CB 0.830 32.502 31.700 -0.046 0.000 1.207 246 N N -2.599 116.077 118.700 -0.040 0.000 2.818 246 N HA -0.134 4.606 4.740 -0.000 0.000 0.250 246 N C -0.578 174.930 175.510 -0.003 0.000 1.108 246 N CA 0.832 53.867 53.050 -0.024 0.000 0.745 246 N CB -1.986 36.495 38.487 -0.011 0.000 1.104 246 N HN 0.563 nan 8.380 nan 0.000 0.557 247 K N 0.752 121.146 120.400 -0.010 0.000 2.270 247 K HA 0.286 4.606 4.320 -0.000 0.000 0.276 247 K C 1.972 178.558 176.600 -0.024 0.000 1.023 247 K CA -0.171 56.136 56.287 0.034 0.000 0.955 247 K CB 0.839 33.376 32.500 0.062 0.000 0.975 247 K HN 0.284 nan 8.250 nan 0.000 0.471 248 I N -1.777 118.816 120.570 0.039 0.000 3.427 248 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 248 I C 0.734 176.942 176.117 0.151 0.000 1.249 248 I CA -0.016 61.322 61.300 0.063 0.000 1.421 248 I CB 0.453 38.514 38.000 0.102 0.000 1.086 248 I HN 0.436 nan 8.210 nan 0.000 0.448 249 G N 0.736 109.624 108.800 0.146 0.000 2.605 249 G HA2 0.591 4.551 3.960 -0.000 0.000 0.296 249 G HA3 0.591 4.551 3.960 -0.000 0.000 0.296 249 G C -0.179 174.846 174.900 0.210 0.000 1.304 249 G CA -0.993 44.272 45.100 0.275 0.000 0.941 249 G HN 0.278 nan 8.290 nan 0.000 0.475 250 L N -0.246 121.179 121.223 0.337 0.000 3.854 250 L HA -0.240 4.100 4.340 -0.000 0.000 0.460 250 L C 2.063 179.001 176.870 0.114 0.000 1.228 250 L CA -0.011 54.988 54.840 0.266 0.000 0.760 250 L CB -0.837 41.330 42.059 0.179 0.000 1.597 250 L HN 0.694 nan 8.230 nan 0.000 0.852 251 R N -0.022 120.418 120.500 -0.102 0.000 2.148 251 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 251 R C 2.071 178.299 176.300 -0.120 0.000 1.088 251 R CA 1.494 57.391 56.100 -0.339 0.000 0.985 251 R CB -0.065 29.636 30.300 -0.999 0.000 0.880 251 R HN 0.517 nan 8.270 nan 0.000 0.451 252 M N 0.360 119.971 119.600 0.019 0.000 2.349 252 M HA -0.029 4.451 4.480 -0.000 0.000 0.266 252 M C 0.271 176.720 176.300 0.248 0.000 1.076 252 M CA 0.653 56.028 55.300 0.125 0.000 1.126 252 M CB 0.456 33.122 32.600 0.110 0.000 1.392 252 M HN -0.171 nan 8.290 nan 0.000 0.440 253 V N 2.756 122.811 119.914 0.235 0.000 2.458 253 V HA -0.073 4.047 4.120 -0.000 0.000 0.287 253 V C 0.398 176.607 176.094 0.192 0.000 1.009 253 V CA 0.077 62.529 62.300 0.255 0.000 1.091 253 V CB -0.111 31.832 31.823 0.200 0.000 0.960 253 V HN 0.276 nan 8.190 nan 0.000 0.476 254 Q N 4.546 124.473 119.800 0.212 0.000 2.513 254 Q HA 0.216 4.556 4.340 -0.000 0.000 0.227 254 Q C -0.108 175.955 176.000 0.105 0.000 1.257 254 Q CA 0.053 55.967 55.803 0.185 0.000 0.915 254 Q CB -0.037 28.900 28.738 0.330 0.000 1.507 254 Q HN 0.642 nan 8.270 nan 0.000 0.543 255 N N 0.824 119.574 118.700 0.084 0.000 2.518 255 N HA 0.535 5.274 4.740 -0.000 0.000 0.283 255 N C -0.001 175.493 175.510 -0.026 0.000 1.119 255 N CA 0.069 53.154 53.050 0.058 0.000 0.983 255 N CB 1.801 40.374 38.487 0.144 0.000 1.139 255 N HN 0.471 nan 8.380 nan 0.000 0.465 256 G N 0.311 109.082 108.800 -0.048 0.000 2.660 256 G HA2 0.264 4.223 3.960 -0.000 0.000 0.294 256 G HA3 0.264 4.223 3.960 -0.000 0.000 0.294 256 G C -1.420 173.413 174.900 -0.111 0.000 1.369 256 G CA -0.571 44.478 45.100 -0.084 0.000 0.912 256 G HN 0.342 nan 8.290 nan 0.000 0.479 257 D N 0.741 121.067 120.400 -0.123 0.000 2.280 257 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 257 D C -0.022 176.238 176.300 -0.066 0.000 1.129 257 D CA 0.289 54.223 54.000 -0.110 0.000 0.848 257 D CB 2.292 43.019 40.800 -0.121 0.000 1.107 257 D HN 0.147 nan 8.370 nan 0.000 0.471 258 I N 2.717 123.256 120.570 -0.051 0.000 2.336 258 I HA 0.235 4.404 4.170 -0.000 0.000 0.292 258 I C 0.086 176.180 176.117 -0.039 0.000 0.991 258 I CA -0.595 60.681 61.300 -0.040 0.000 1.227 258 I CB 1.355 39.333 38.000 -0.037 0.000 1.366 258 I HN 0.113 nan 8.210 nan 0.000 0.466 259 L N 7.284 128.486 121.223 -0.034 0.000 2.325 259 L HA 0.580 4.919 4.340 -0.000 0.000 0.278 259 L C -0.900 175.951 176.870 -0.032 0.000 1.023 259 L CA -0.705 54.116 54.840 -0.032 0.000 0.811 259 L CB 1.635 43.678 42.059 -0.027 0.000 1.249 259 L HN 0.450 nan 8.230 nan 0.000 0.431 260 L N 4.100 125.302 121.223 -0.035 0.000 2.415 260 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 260 L C -0.889 175.962 176.870 -0.031 0.000 0.984 260 L CA -0.332 54.485 54.840 -0.039 0.000 0.853 260 L CB 1.733 43.756 42.059 -0.060 0.000 1.215 260 L HN 0.556 nan 8.230 nan 0.000 0.419 261 Q N 3.404 123.192 119.800 -0.020 0.000 2.363 261 Q HA 0.330 4.670 4.340 -0.000 0.000 0.265 261 Q C -0.404 175.596 176.000 -0.000 0.000 1.032 261 Q CA -0.737 55.060 55.803 -0.011 0.000 0.746 261 Q CB 1.467 30.200 28.738 -0.008 0.000 1.237 261 Q HN 0.466 nan 8.270 nan 0.000 0.475 262 N N 0.619 119.320 118.700 0.002 0.000 2.716 262 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 262 N C -0.951 174.589 175.510 0.050 0.000 1.033 262 N CA 0.524 53.590 53.050 0.025 0.000 0.727 262 N CB -0.854 37.650 38.487 0.028 0.000 0.950 262 N HN 0.285 nan 8.380 nan 0.000 0.541 263 V N 1.684 121.613 119.914 0.023 0.000 2.415 263 V HA 0.089 4.209 4.120 -0.000 0.000 0.267 263 V C 0.764 176.902 176.094 0.073 0.000 1.042 263 V CA -0.421 61.901 62.300 0.037 0.000 1.000 263 V CB -0.045 31.766 31.823 -0.019 0.000 1.015 263 V HN 0.211 nan 8.190 nan 0.000 0.478 264 F N 6.619 126.565 119.950 -0.007 0.000 2.456 264 F HA 0.488 5.015 4.527 -0.000 0.000 0.358 264 F C 0.042 175.868 175.800 0.043 0.000 1.095 264 F CA -0.067 57.945 58.000 0.020 0.000 1.216 264 F CB 0.908 39.921 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.353 127.857 119.914 -0.683 0.000 2.409 265 V HA 0.330 4.450 4.120 -0.000 0.000 0.290 265 V C -2.149 173.522 176.094 -0.704 0.000 1.017 265 V CA -1.782 60.238 62.300 -0.468 0.000 0.841 265 V CB 1.417 33.171 31.823 -0.116 0.000 1.003 265 V HN 0.645 nan 8.190 nan 0.000 0.426 266 P HA 0.128 nan 4.420 nan 0.000 0.269 266 P C 0.239 177.550 177.300 0.018 0.000 1.215 266 P CA -0.022 62.925 63.100 -0.254 0.000 0.780 266 P CB 1.127 32.869 31.700 0.071 0.000 0.898 267 D N 1.268 121.708 120.400 0.068 0.000 2.228 267 D HA -0.196 4.443 4.640 -0.000 0.000 0.203 267 D C 1.667 178.049 176.300 0.137 0.000 0.988 267 D CA 1.518 55.609 54.000 0.151 0.000 0.864 267 D CB -0.103 40.738 40.800 0.068 0.000 0.928 267 D HN 0.653 nan 8.370 nan 0.000 0.469 268 E N 0.115 120.373 120.200 0.097 0.000 2.274 268 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 268 E C 0.732 177.381 176.600 0.081 0.000 0.996 268 E CA 0.821 57.269 56.400 0.081 0.000 0.840 268 E CB 0.052 29.798 29.700 0.077 0.000 0.772 268 E HN 0.018 nan 8.360 nan 0.000 0.491 269 D N 0.609 121.057 120.400 0.080 0.000 2.363 269 D HA 0.069 4.708 4.640 -0.000 0.000 0.214 269 D C -0.157 176.128 176.300 -0.025 0.000 1.093 269 D CA 0.001 54.031 54.000 0.050 0.000 0.837 269 D CB 0.155 40.984 40.800 0.048 0.000 0.948 269 D HN 0.063 nan 8.370 nan 0.000 0.507 270 R N 1.191 121.670 120.500 -0.034 0.000 2.308 270 R HA 0.292 4.632 4.340 -0.000 0.000 0.305 270 R C -0.217 175.911 176.300 -0.286 0.000 1.053 270 R CA -0.502 55.430 56.100 -0.279 0.000 0.957 270 R CB 0.679 30.830 30.300 -0.249 0.000 1.022 270 R HN -0.021 nan 8.270 nan 0.000 0.461 271 L N 7.916 128.881 121.223 -0.431 0.000 2.433 271 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 271 L C -1.174 175.535 176.870 -0.267 0.000 1.128 271 L CA -1.290 53.366 54.840 -0.308 0.000 0.875 271 L CB 1.013 42.868 42.059 -0.340 0.000 1.171 271 L HN 0.522 nan 8.230 nan 0.000 0.463 272 P HA -0.058 nan 4.420 nan 0.000 0.229 272 P C 1.265 178.510 177.300 -0.093 0.000 1.160 272 P CA 0.752 63.789 63.100 -0.106 0.000 0.777 272 P CB 0.383 32.049 31.700 -0.056 0.000 0.814 273 G N 0.402 109.143 108.800 -0.097 0.000 2.408 273 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 273 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 273 G C 0.566 175.425 174.900 -0.068 0.000 1.156 273 G CA 0.123 45.182 45.100 -0.068 0.000 0.793 273 G HN 0.174 nan 8.290 nan 0.000 0.535 274 V N 2.464 122.314 119.914 -0.106 0.000 2.352 274 V HA 0.180 4.300 4.120 -0.000 0.000 0.253 274 V C 0.499 176.530 176.094 -0.104 0.000 1.083 274 V CA -0.249 62.002 62.300 -0.081 0.000 0.993 274 V CB 0.644 32.401 31.823 -0.110 0.000 1.111 274 V HN 0.185 nan 8.190 nan 0.000 0.490 275 N N 1.910 120.582 118.700 -0.047 0.000 2.510 275 N HA 0.066 4.806 4.740 -0.000 0.000 0.186 275 N C 0.830 176.344 175.510 0.006 0.000 1.051 275 N CA 0.651 53.680 53.050 -0.034 0.000 0.877 275 N CB 0.623 39.099 38.487 -0.018 0.000 1.183 275 N HN 0.721 nan 8.380 nan 0.000 0.443 276 S N -1.199 114.519 115.700 0.031 0.000 2.740 276 S HA 0.363 4.833 4.470 -0.000 0.000 0.300 276 S C 0.458 175.137 174.600 0.131 0.000 1.147 276 S CA -0.700 57.547 58.200 0.079 0.000 0.871 276 S CB 0.865 64.103 63.200 0.065 0.000 1.173 276 S HN 0.003 nan 8.310 nan 0.000 0.510 277 F N 1.403 121.360 119.950 0.010 0.000 2.365 277 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 277 F C 2.372 178.173 175.800 0.002 0.000 1.090 277 F CA 1.344 59.348 58.000 0.006 0.000 1.408 277 F CB -0.539 38.446 39.000 -0.024 0.000 1.060 277 F HN 0.676 nan 8.300 nan 0.000 0.534 278 Q N -0.194 119.567 119.800 -0.065 0.000 2.226 278 Q HA -0.198 4.141 4.340 -0.000 0.000 0.204 278 Q C 1.569 177.473 176.000 -0.160 0.000 0.975 278 Q CA 1.498 57.218 55.803 -0.139 0.000 0.866 278 Q CB -0.247 28.463 28.738 -0.047 0.000 0.915 278 Q HN 0.427 nan 8.270 nan 0.000 0.440 279 D N -0.170 120.168 120.400 -0.103 0.000 2.178 279 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 279 D C 1.691 177.942 176.300 -0.083 0.000 0.974 279 D CA 1.156 55.116 54.000 -0.068 0.000 0.841 279 D CB -0.115 40.672 40.800 -0.022 0.000 0.953 279 D HN 0.173 nan 8.370 nan 0.000 0.478 280 T N 0.292 114.755 114.554 -0.152 0.000 2.833 280 T HA -0.075 4.274 4.350 -0.000 0.000 0.269 280 T C 1.577 176.140 174.700 -0.230 0.000 1.054 280 T CA 0.709 62.721 62.100 -0.145 0.000 1.135 280 T CB -0.119 68.570 68.868 -0.299 0.000 0.869 280 T HN -0.040 nan 8.240 nan 0.000 0.466 281 S N 1.116 116.607 115.700 -0.349 0.000 3.048 281 S HA 0.084 4.554 4.470 -0.000 0.000 0.254 281 S C 1.268 175.786 174.600 -0.137 0.000 1.084 281 S CA 0.180 58.224 58.200 -0.260 0.000 1.195 281 S CB -0.136 62.896 63.200 -0.280 0.000 0.870 281 S HN 0.358 nan 8.310 nan 0.000 0.483 282 K N -0.641 119.699 120.400 -0.100 0.000 2.511 282 K HA 0.232 4.552 4.320 -0.000 0.000 0.206 282 K C 1.551 178.126 176.600 -0.043 0.000 1.333 282 K CA 0.320 56.579 56.287 -0.047 0.000 0.957 282 K CB -0.292 32.191 32.500 -0.030 0.000 1.172 282 K HN 0.225 nan 8.250 nan 0.000 0.547 283 V N 2.300 122.176 119.914 -0.063 0.000 2.407 283 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 283 V C 2.352 178.342 176.094 -0.174 0.000 1.041 283 V CA 1.316 63.559 62.300 -0.096 0.000 1.040 283 V CB -0.465 31.329 31.823 -0.048 0.000 0.671 283 V HN 0.104 nan 8.190 nan 0.000 0.455 284 L N 0.413 121.532 121.223 -0.173 0.000 2.187 284 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 284 L C 2.689 179.458 176.870 -0.169 0.000 1.100 284 L CA 1.358 56.081 54.840 -0.196 0.000 0.765 284 L CB -0.769 41.201 42.059 -0.148 0.000 0.904 284 L HN 0.371 nan 8.230 nan 0.000 0.437 285 A N -0.382 122.359 122.820 -0.132 0.000 1.978 285 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 285 A C 2.251 179.690 177.584 -0.241 0.000 1.170 285 A CA 1.927 53.897 52.037 -0.112 0.000 0.636 285 A CB -0.560 18.439 19.000 -0.002 0.000 0.810 285 A HN 0.248 nan 8.150 nan 0.000 0.448 286 V N -1.332 118.401 119.914 -0.301 0.000 2.500 286 V HA -0.092 4.028 4.120 -0.000 0.000 0.243 286 V C 2.628 178.540 176.094 -0.303 0.000 1.039 286 V CA 1.766 63.806 62.300 -0.434 0.000 1.053 286 V CB -0.584 31.017 31.823 -0.371 0.000 0.695 286 V HN 0.601 nan 8.190 nan 0.000 0.463 287 S N -0.023 115.519 115.700 -0.263 0.000 2.370 287 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 287 S C 2.222 176.708 174.600 -0.191 0.000 1.033 287 S CA 1.924 59.976 58.200 -0.247 0.000 1.011 287 S CB -0.279 62.721 63.200 -0.333 0.000 0.852 287 S HN 0.510 nan 8.310 nan 0.000 0.457 288 R N -0.021 120.373 120.500 -0.177 0.000 2.090 288 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 288 R C 2.120 178.356 176.300 -0.106 0.000 1.110 288 R CA 1.354 57.372 56.100 -0.137 0.000 0.973 288 R CB -0.295 29.935 30.300 -0.117 0.000 0.869 288 R HN 0.362 nan 8.270 nan 0.000 0.440 289 V N 0.723 120.563 119.914 -0.123 0.000 2.358 289 V HA -0.249 3.870 4.120 -0.000 0.000 0.246 289 V C 2.238 178.356 176.094 0.040 0.000 1.047 289 V CA 1.586 63.851 62.300 -0.059 0.000 1.035 289 V CB -0.300 31.424 31.823 -0.166 0.000 0.658 289 V HN 0.319 nan 8.190 nan 0.000 0.452 290 M N -0.594 118.972 119.600 -0.056 0.000 2.156 290 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 290 M C 1.981 178.311 176.300 0.049 0.000 1.067 290 M CA 1.511 56.799 55.300 -0.021 0.000 1.131 290 M CB -0.407 32.132 32.600 -0.102 0.000 1.368 290 M HN 0.132 nan 8.290 nan 0.000 0.416 291 V N -0.008 119.892 119.914 -0.023 0.000 2.407 291 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 291 V C 2.428 178.507 176.094 -0.026 0.000 1.055 291 V CA 1.740 64.008 62.300 -0.054 0.000 1.049 291 V CB -1.390 30.319 31.823 -0.189 0.000 0.662 291 V HN 0.571 nan 8.190 nan 0.000 0.455 292 A N -1.504 121.309 122.820 -0.011 0.000 2.024 292 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 292 A C 1.835 179.392 177.584 -0.046 0.000 1.164 292 A CA 1.772 53.789 52.037 -0.033 0.000 0.643 292 A CB -0.774 18.203 19.000 -0.038 0.000 0.806 292 A HN 0.715 nan 8.150 nan 0.000 0.451 293 W N -0.176 121.083 121.300 -0.069 0.000 3.003 293 W HA 0.090 4.750 4.660 -0.000 0.000 0.257 293 W C 2.391 178.903 176.519 -0.011 0.000 1.308 293 W CA 0.730 58.043 57.345 -0.055 0.000 1.529 293 W CB 0.048 29.461 29.460 -0.078 0.000 1.115 293 W HN 0.440 nan 8.180 nan 0.000 0.659 294 Q N 0.305 120.206 119.800 0.168 0.000 2.020 294 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 294 Q C -0.416 175.647 176.000 0.105 0.000 0.982 294 Q CA 1.661 57.547 55.803 0.139 0.000 0.838 294 Q CB -1.581 27.228 28.738 0.118 0.000 0.899 294 Q HN 0.137 nan 8.270 nan 0.000 0.423 295 P HA -0.160 nan 4.420 nan 0.000 0.216 295 P C 1.079 178.400 177.300 0.034 0.000 1.150 295 P CA 1.183 64.306 63.100 0.039 0.000 0.837 295 P CB -0.104 31.598 31.700 0.004 0.000 0.786 296 I N -0.710 119.848 120.570 -0.021 0.000 2.151 296 I HA -0.247 3.922 4.170 -0.000 0.000 0.243 296 I C 2.507 178.690 176.117 0.110 0.000 1.080 296 I CA 2.027 63.303 61.300 -0.040 0.000 1.339 296 I CB -1.371 36.434 38.000 -0.326 0.000 1.039 296 I HN 0.028 nan 8.210 nan 0.000 0.409 297 G N 1.147 110.050 108.800 0.171 0.000 2.434 297 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.214 297 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.214 297 G C 1.673 176.681 174.900 0.180 0.000 1.202 297 G CA 0.740 45.967 45.100 0.210 0.000 0.788 297 G HN 0.307 nan 8.290 nan 0.000 0.539 298 I N 1.163 121.824 120.570 0.152 0.000 2.118 298 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 298 I C 3.074 179.279 176.117 0.146 0.000 1.070 298 I CA 1.560 62.947 61.300 0.144 0.000 1.327 298 I CB -0.314 37.757 38.000 0.119 0.000 1.034 298 I HN 0.104 nan 8.210 nan 0.000 0.405 299 S N 0.304 116.079 115.700 0.125 0.000 2.383 299 S HA -0.176 4.293 4.470 -0.000 0.000 0.229 299 S C 2.000 176.700 174.600 0.166 0.000 1.030 299 S CA 1.404 59.678 58.200 0.123 0.000 1.002 299 S CB -0.277 62.973 63.200 0.084 0.000 0.829 299 S HN 0.345 nan 8.310 nan 0.000 0.467 300 M N 0.943 120.651 119.600 0.180 0.000 2.080 300 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 300 M C 2.571 179.024 176.300 0.255 0.000 1.068 300 M CA 1.702 57.131 55.300 0.214 0.000 1.109 300 M CB -1.131 31.605 32.600 0.226 0.000 1.342 300 M HN 0.489 nan 8.290 nan 0.000 0.405 301 G N 0.681 109.636 108.800 0.259 0.000 2.459 301 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 301 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 301 G C 1.442 176.441 174.900 0.166 0.000 1.183 301 G CA 0.867 46.141 45.100 0.291 0.000 0.776 301 G HN 0.414 nan 8.290 nan 0.000 0.552 302 I N -0.720 119.941 120.570 0.151 0.000 2.194 302 I HA -0.237 3.933 4.170 -0.000 0.000 0.246 302 I C 2.456 178.628 176.117 0.091 0.000 1.093 302 I CA 1.454 62.810 61.300 0.094 0.000 1.355 302 I CB -0.284 37.775 38.000 0.098 0.000 1.046 302 I HN 0.267 nan 8.210 nan 0.000 0.413 303 Y N 1.917 122.244 120.300 0.044 0.000 2.133 303 Y HA -0.289 4.261 4.550 -0.000 0.000 0.287 303 Y C 2.336 178.268 175.900 0.054 0.000 1.134 303 Y CA 1.798 59.922 58.100 0.041 0.000 1.133 303 Y CB -0.280 38.202 38.460 0.036 0.000 0.987 303 Y HN 0.163 nan 8.280 nan 0.000 0.502 304 D N 0.025 120.548 120.400 0.205 0.000 2.149 304 D HA -0.250 4.389 4.640 -0.000 0.000 0.194 304 D C 2.064 178.344 176.300 -0.033 0.000 1.001 304 D CA 1.863 55.927 54.000 0.107 0.000 0.849 304 D CB -0.345 40.533 40.800 0.131 0.000 0.939 304 D HN 0.393 nan 8.370 nan 0.000 0.449 305 M N 0.293 119.838 119.600 -0.092 0.000 2.099 305 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 305 M C 2.212 178.481 176.300 -0.052 0.000 1.067 305 M CA 1.194 56.430 55.300 -0.105 0.000 1.124 305 M CB -0.645 31.879 32.600 -0.127 0.000 1.353 305 M HN 0.026 nan 8.290 nan 0.000 0.410 306 C N -0.487 118.744 119.300 -0.115 0.000 2.429 306 C HA -0.171 4.288 4.460 -0.000 0.000 0.277 306 C C 2.739 177.642 174.990 -0.146 0.000 1.262 306 C CA 1.470 60.405 59.018 -0.138 0.000 1.733 306 C CB -1.557 26.063 27.740 -0.200 0.000 2.010 306 C HN 0.732 nan 8.230 nan 0.000 0.483 307 H N 0.905 119.743 119.070 -0.386 0.000 2.352 307 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 307 H C 2.513 177.768 175.328 -0.122 0.000 1.097 307 H CA 2.211 58.059 56.048 -0.334 0.000 1.311 307 H CB -0.245 29.273 29.762 -0.406 0.000 1.377 307 H HN 0.338 nan 8.280 nan 0.000 0.504 308 R N -0.909 119.558 120.500 -0.056 0.000 2.066 308 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 308 R C 2.087 178.366 176.300 -0.034 0.000 1.131 308 R CA 1.621 57.692 56.100 -0.048 0.000 0.955 308 R CB -0.787 29.529 30.300 0.028 0.000 0.851 308 R HN 0.478 nan 8.270 nan 0.000 0.432 309 Y N 1.489 121.739 120.300 -0.084 0.000 2.128 309 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 309 Y C 2.101 177.959 175.900 -0.070 0.000 1.154 309 Y CA 1.870 59.938 58.100 -0.053 0.000 1.149 309 Y CB -0.199 38.216 38.460 -0.076 0.000 0.976 309 Y HN 0.056 nan 8.280 nan 0.000 0.505 310 L N 0.032 121.303 121.223 0.081 0.000 2.362 310 L HA -0.185 4.155 4.340 -0.000 0.000 0.219 310 L C 2.311 179.139 176.870 -0.070 0.000 1.134 310 L CA 1.370 56.222 54.840 0.020 0.000 0.807 310 L CB -0.363 41.690 42.059 -0.010 0.000 0.927 310 L HN 0.158 nan 8.230 nan 0.000 0.447 311 K N -0.285 120.029 120.400 -0.143 0.000 2.323 311 K HA -0.019 4.301 4.320 -0.000 0.000 0.197 311 K C 1.732 178.260 176.600 -0.120 0.000 1.043 311 K CA 0.351 56.547 56.287 -0.151 0.000 0.997 311 K CB 0.418 32.780 32.500 -0.231 0.000 0.807 311 K HN 0.282 nan 8.250 nan 0.000 0.497 312 E N -0.087 120.026 120.200 -0.146 0.000 2.099 312 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 312 E C 0.376 176.866 176.600 -0.184 0.000 0.962 312 E CA 0.008 56.319 56.400 -0.149 0.000 0.826 312 E CB 0.321 29.935 29.700 -0.143 0.000 0.788 312 E HN -0.060 nan 8.360 nan 0.000 0.461 313 R N 2.450 122.776 120.500 -0.290 0.000 2.401 313 R HA 0.107 4.447 4.340 -0.000 0.000 0.299 313 R C -0.789 175.459 176.300 -0.088 0.000 1.064 313 R CA 0.474 56.425 56.100 -0.249 0.000 1.000 313 R CB 0.262 30.314 30.300 -0.412 0.000 0.973 313 R HN 0.003 nan 8.270 nan 0.000 0.438 314 K N 3.259 123.621 120.400 -0.064 0.000 2.221 314 K HA 0.282 4.602 4.320 -0.000 0.000 0.258 314 K C -0.636 175.983 176.600 0.033 0.000 0.944 314 K CA -0.754 55.538 56.287 0.008 0.000 0.823 314 K CB 1.814 34.302 32.500 -0.021 0.000 1.113 314 K HN 0.321 nan 8.250 nan 0.000 0.431 315 Q N 1.392 121.277 119.800 0.143 0.000 2.340 315 Q HA 0.335 4.675 4.340 -0.000 0.000 0.276 315 Q C -1.252 174.964 176.000 0.361 0.000 1.048 315 Q CA -0.473 55.403 55.803 0.121 0.000 0.832 315 Q CB 0.893 29.691 28.738 0.101 0.000 1.373 315 Q HN 0.588 nan 8.270 nan 0.000 0.409 316 F N 1.749 121.748 119.950 0.082 0.000 3.057 316 F HA -0.202 4.324 4.527 -0.000 0.000 0.287 316 F C 1.060 176.939 175.800 0.133 0.000 0.834 316 F CA 1.344 59.420 58.000 0.126 0.000 1.147 316 F CB -1.510 37.614 39.000 0.208 0.000 1.245 316 F HN 0.901 nan 8.300 nan 0.000 0.509 317 G N -0.654 108.255 108.800 0.181 0.000 2.198 317 G HA2 0.260 4.220 3.960 -0.000 0.000 0.257 317 G HA3 0.260 4.220 3.960 -0.000 0.000 0.257 317 G C -0.036 174.918 174.900 0.091 0.000 1.042 317 G CA 0.194 45.355 45.100 0.102 0.000 0.791 317 G HN 1.844 nan 8.290 nan 0.000 0.502 318 A N -1.065 121.838 122.820 0.138 0.000 2.605 318 A HA 0.858 5.178 4.320 -0.000 0.000 0.294 318 A C -3.037 174.619 177.584 0.120 0.000 1.062 318 A CA -1.019 51.047 52.037 0.048 0.000 0.682 318 A CB 1.465 20.388 19.000 -0.129 0.000 1.278 318 A HN 0.117 nan 8.150 nan 0.000 0.410 319 P HA 0.230 nan 4.420 nan 0.000 0.269 319 P C 0.965 178.368 177.300 0.172 0.000 1.209 319 P CA -0.173 62.959 63.100 0.052 0.000 0.776 319 P CB 0.426 32.110 31.700 -0.027 0.000 0.876 320 L N 2.058 123.410 121.223 0.215 0.000 2.129 320 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 320 L C 2.135 179.179 176.870 0.290 0.000 1.087 320 L CA 1.884 56.925 54.840 0.334 0.000 0.757 320 L CB -0.956 41.204 42.059 0.168 0.000 0.896 320 L HN 0.428 nan 8.230 nan 0.000 0.434 321 A N -0.255 122.624 122.820 0.098 0.000 2.248 321 A HA 0.113 4.432 4.320 -0.000 0.000 0.210 321 A C 2.269 179.847 177.584 -0.011 0.000 1.174 321 A CA 1.200 53.251 52.037 0.023 0.000 0.750 321 A CB -0.431 18.531 19.000 -0.063 0.000 0.780 321 A HN 0.399 nan 8.150 nan 0.000 0.478 322 A N -1.136 121.642 122.820 -0.070 0.000 2.195 322 A HA 0.472 4.792 4.320 -0.000 0.000 0.210 322 A C 0.275 177.659 177.584 -0.334 0.000 1.165 322 A CA -0.151 51.732 52.037 -0.257 0.000 0.806 322 A CB -0.145 18.604 19.000 -0.417 0.000 0.847 322 A HN 0.338 nan 8.150 nan 0.000 0.482 323 F N 0.433 120.364 119.950 -0.032 0.000 2.404 323 F HA 0.277 4.804 4.527 -0.000 0.000 0.345 323 F C 1.541 177.317 175.800 -0.039 0.000 1.110 323 F CA -0.427 57.546 58.000 -0.045 0.000 1.130 323 F CB 0.920 39.885 39.000 -0.057 0.000 1.129 323 F HN 0.155 nan 8.300 nan 0.000 0.500 324 Q N 1.695 121.565 119.800 0.117 0.000 2.062 324 Q HA -0.227 4.113 4.340 -0.000 0.000 0.209 324 Q C 2.076 178.111 176.000 0.058 0.000 0.996 324 Q CA 1.833 57.671 55.803 0.058 0.000 0.859 324 Q CB -0.272 28.486 28.738 0.034 0.000 0.920 324 Q HN 0.690 nan 8.270 nan 0.000 0.415 325 L N 0.706 121.966 121.223 0.061 0.000 2.042 325 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 325 L C 1.842 178.729 176.870 0.029 0.000 1.076 325 L CA 1.690 56.546 54.840 0.027 0.000 0.749 325 L CB -0.437 41.620 42.059 -0.004 0.000 0.893 325 L HN 0.268 nan 8.230 nan 0.000 0.432 326 N N -1.532 117.204 118.700 0.060 0.000 2.244 326 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 326 N C 1.806 177.341 175.510 0.042 0.000 1.016 326 N CA 0.608 53.688 53.050 0.050 0.000 0.866 326 N CB -0.006 38.536 38.487 0.091 0.000 0.980 326 N HN 0.457 nan 8.380 nan 0.000 0.430 327 Q N 0.779 120.608 119.800 0.050 0.000 2.046 327 Q HA -0.183 4.156 4.340 -0.000 0.000 0.200 327 Q C 2.047 178.067 176.000 0.033 0.000 0.975 327 Q CA 1.036 56.861 55.803 0.036 0.000 0.836 327 Q CB -0.101 28.654 28.738 0.028 0.000 0.896 327 Q HN 0.433 nan 8.270 nan 0.000 0.428 328 Q N 0.697 120.514 119.800 0.028 0.000 2.135 328 Q HA -0.187 4.152 4.340 -0.000 0.000 0.204 328 Q C 1.813 177.827 176.000 0.024 0.000 0.981 328 Q CA 1.107 56.925 55.803 0.024 0.000 0.856 328 Q CB 0.208 28.957 28.738 0.018 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.304 120.715 120.400 0.019 0.000 2.057 329 K HA -0.149 4.170 4.320 -0.000 0.000 0.206 329 K C 2.157 178.779 176.600 0.037 0.000 1.050 329 K CA 0.669 56.965 56.287 0.014 0.000 0.935 329 K CB -0.354 32.143 32.500 -0.004 0.000 0.715 329 K HN 0.204 nan 8.250 nan 0.000 0.439 330 L N 1.417 122.668 121.223 0.047 0.000 2.056 330 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 330 L C 2.257 179.230 176.870 0.171 0.000 1.078 330 L CA 1.231 56.127 54.840 0.094 0.000 0.749 330 L CB -0.393 41.698 42.059 0.055 0.000 0.901 330 L HN 0.031 nan 8.230 nan 0.000 0.433 331 V N -3.531 116.436 119.914 0.089 0.000 2.667 331 V HA -0.199 3.920 4.120 -0.000 0.000 0.252 331 V C 2.192 178.301 176.094 0.026 0.000 1.065 331 V CA 1.418 63.744 62.300 0.043 0.000 1.083 331 V CB -0.980 30.851 31.823 0.013 0.000 0.692 331 V HN 0.560 nan 8.190 nan 0.000 0.468 332 Q N -0.269 119.554 119.800 0.037 0.000 2.124 332 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 332 Q C 2.288 178.306 176.000 0.029 0.000 0.977 332 Q CA 2.225 58.044 55.803 0.027 0.000 0.850 332 Q CB -0.252 28.499 28.738 0.022 0.000 0.901 332 Q HN 0.653 nan 8.270 nan 0.000 0.429 333 M N -0.273 119.368 119.600 0.068 0.000 2.099 333 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 333 M C 2.109 178.422 176.300 0.020 0.000 1.067 333 M CA 1.012 56.371 55.300 0.099 0.000 1.124 333 M CB -0.253 32.480 32.600 0.222 0.000 1.353 333 M HN 0.213 nan 8.290 nan 0.000 0.410 334 L N 0.546 121.742 121.223 -0.045 0.000 2.042 334 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 334 L C 2.311 179.046 176.870 -0.226 0.000 1.076 334 L CA 2.073 56.693 54.840 -0.366 0.000 0.749 334 L CB -1.178 40.625 42.059 -0.426 0.000 0.893 334 L HN 0.274 nan 8.230 nan 0.000 0.432 335 G N -1.175 107.558 108.800 -0.112 0.000 2.404 335 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.215 335 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.215 335 G C 1.457 176.348 174.900 -0.015 0.000 1.174 335 G CA 0.850 45.910 45.100 -0.066 0.000 0.780 335 G HN 0.549 nan 8.290 nan 0.000 0.537 336 N N -0.091 118.609 118.700 0.001 0.000 2.149 336 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 336 N C 2.223 177.755 175.510 0.037 0.000 1.019 336 N CA 0.929 53.991 53.050 0.020 0.000 0.857 336 N CB -0.044 38.431 38.487 -0.020 0.000 0.997 336 N HN 0.180 nan 8.380 nan 0.000 0.426 337 V N 1.634 121.548 119.914 0.000 0.000 2.270 337 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 337 V C 2.289 178.443 176.094 0.100 0.000 1.043 337 V CA 1.463 63.779 62.300 0.028 0.000 1.014 337 V CB -0.477 31.325 31.823 -0.035 0.000 0.645 337 V HN 0.306 nan 8.190 nan 0.000 0.447 338 Q N 0.256 120.088 119.800 0.053 0.000 2.112 338 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 338 Q C 2.366 178.503 176.000 0.228 0.000 0.987 338 Q CA 2.141 58.048 55.803 0.173 0.000 0.858 338 Q CB -0.989 27.542 28.738 -0.345 0.000 0.905 338 Q HN 0.649 nan 8.270 nan 0.000 0.420 339 A N 0.700 123.622 122.820 0.169 0.000 1.873 339 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 339 A C 2.244 179.973 177.584 0.241 0.000 1.186 339 A CA 1.455 53.628 52.037 0.227 0.000 0.616 339 A CB -0.538 18.657 19.000 0.324 0.000 0.823 339 A HN 0.298 nan 8.150 nan 0.000 0.442 340 M N -2.059 117.699 119.600 0.263 0.000 2.106 340 M HA -0.149 4.330 4.480 -0.000 0.000 0.259 340 M C 2.122 178.379 176.300 -0.072 0.000 1.068 340 M CA 1.941 57.347 55.300 0.176 0.000 1.100 340 M CB -0.405 32.241 32.600 0.077 0.000 1.351 340 M HN 0.587 nan 8.290 nan 0.000 0.404 341 F N 1.051 120.850 119.950 -0.252 0.000 2.060 341 F HA -0.206 4.321 4.527 -0.000 0.000 0.295 341 F C 1.945 177.525 175.800 -0.367 0.000 1.120 341 F CA 1.573 59.259 58.000 -0.524 0.000 1.205 341 F CB -0.221 38.238 39.000 -0.902 0.000 0.986 341 F HN -0.057 nan 8.300 nan 0.000 0.470 342 L N -0.499 120.779 121.223 0.092 0.000 2.081 342 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 342 L C 2.457 179.419 176.870 0.153 0.000 1.080 342 L CA 1.429 56.397 54.840 0.214 0.000 0.754 342 L CB -0.659 41.551 42.059 0.252 0.000 0.893 342 L HN 0.314 nan 8.230 nan 0.000 0.433 343 M N 0.152 119.745 119.600 -0.013 0.000 2.067 343 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 343 M C 2.110 178.322 176.300 -0.146 0.000 1.069 343 M CA 2.134 57.379 55.300 -0.092 0.000 1.117 343 M CB -0.917 31.615 32.600 -0.113 0.000 1.334 343 M HN 0.162 nan 8.290 nan 0.000 0.407 344 G N -1.711 106.868 108.800 -0.368 0.000 2.408 344 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 344 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 344 G C 1.311 176.212 174.900 0.001 0.000 1.150 344 G CA 0.790 45.560 45.100 -0.551 0.000 0.776 344 G HN 0.686 nan 8.290 nan 0.000 0.542 345 W N 1.642 122.817 121.300 -0.210 0.000 2.355 345 W HA -0.083 4.577 4.660 -0.000 0.000 0.309 345 W C 2.624 179.179 176.519 0.059 0.000 1.206 345 W CA 1.698 59.072 57.345 0.050 0.000 1.284 345 W CB -0.103 29.311 29.460 -0.077 0.000 1.145 345 W HN 0.139 nan 8.180 nan 0.000 0.502 346 R N 0.701 121.138 120.500 -0.106 0.000 2.081 346 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 346 R C 2.155 178.295 176.300 -0.268 0.000 1.131 346 R CA 2.032 57.917 56.100 -0.358 0.000 0.960 346 R CB -1.378 28.884 30.300 -0.063 0.000 0.856 346 R HN 0.374 nan 8.270 nan 0.000 0.436 347 L N -0.169 120.982 121.223 -0.120 0.000 2.042 347 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 347 L C 2.135 178.980 176.870 -0.042 0.000 1.076 347 L CA 1.862 56.667 54.840 -0.059 0.000 0.749 347 L CB -0.623 41.430 42.059 -0.009 0.000 0.893 347 L HN 0.327 nan 8.230 nan 0.000 0.432 348 C N -0.584 118.693 119.300 -0.038 0.000 2.432 348 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 348 C C 2.547 177.463 174.990 -0.124 0.000 1.249 348 C CA 0.432 59.415 59.018 -0.060 0.000 1.725 348 C CB -0.984 26.700 27.740 -0.094 0.000 2.028 348 C HN 0.422 nan 8.230 nan 0.000 0.477 349 K N 0.833 121.041 120.400 -0.320 0.000 2.442 349 K HA 0.061 4.381 4.320 -0.000 0.000 0.198 349 K C 1.664 178.139 176.600 -0.208 0.000 1.042 349 K CA 0.794 56.879 56.287 -0.338 0.000 0.958 349 K CB -0.405 31.716 32.500 -0.631 0.000 0.766 349 K HN 0.562 nan 8.250 nan 0.000 0.474 350 L N -0.975 120.157 121.223 -0.151 0.000 2.127 350 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 350 L C 2.332 179.179 176.870 -0.039 0.000 1.080 350 L CA 0.711 55.498 54.840 -0.089 0.000 0.768 350 L CB -0.380 41.638 42.059 -0.069 0.000 0.924 350 L HN 0.034 nan 8.230 nan 0.000 0.444 351 Y N 0.875 121.106 120.300 -0.115 0.000 2.242 351 Y HA -0.242 4.308 4.550 -0.000 0.000 0.291 351 Y C 2.508 178.352 175.900 -0.093 0.000 1.137 351 Y CA 1.682 59.725 58.100 -0.095 0.000 1.181 351 Y CB 0.059 38.465 38.460 -0.091 0.000 0.989 351 Y HN 0.162 nan 8.280 nan 0.000 0.527 352 E N -0.834 119.326 120.200 -0.066 0.000 2.072 352 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 352 E C 1.922 178.425 176.600 -0.161 0.000 0.985 352 E CA 1.858 58.187 56.400 -0.118 0.000 0.801 352 E CB -0.069 29.590 29.700 -0.069 0.000 0.750 352 E HN 0.602 nan 8.360 nan 0.000 0.452 353 T N -2.991 111.479 114.554 -0.141 0.000 3.118 353 T HA 0.115 4.465 4.350 -0.000 0.000 0.260 353 T C 1.474 176.086 174.700 -0.146 0.000 1.139 353 T CA 0.523 62.548 62.100 -0.124 0.000 1.085 353 T CB 0.219 69.027 68.868 -0.101 0.000 0.934 353 T HN 0.304 nan 8.240 nan 0.000 0.518 354 G N 2.223 110.898 108.800 -0.209 0.000 2.143 354 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 354 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 354 G C 0.486 175.296 174.900 -0.150 0.000 0.991 354 G CA 0.399 45.359 45.100 -0.233 0.000 0.689 354 G HN 0.807 nan 8.290 nan 0.000 0.522 355 Q N -1.063 118.669 119.800 -0.114 0.000 2.198 355 Q HA 0.537 4.876 4.340 -0.000 0.000 0.209 355 Q C 1.078 177.044 176.000 -0.056 0.000 0.848 355 Q CA -0.432 55.325 55.803 -0.077 0.000 0.974 355 Q CB 0.493 29.191 28.738 -0.067 0.000 1.115 355 Q HN 0.559 nan 8.270 nan 0.000 0.494 356 M N 2.836 122.409 119.600 -0.044 0.000 2.211 356 M HA 0.205 4.685 4.480 -0.000 0.000 0.356 356 M C -0.720 175.580 176.300 0.000 0.000 1.216 356 M CA 0.288 55.586 55.300 -0.003 0.000 1.134 356 M CB 1.143 33.784 32.600 0.069 0.000 1.564 356 M HN 0.287 nan 8.290 nan 0.000 0.463 357 T N 2.081 116.630 114.554 -0.008 0.000 2.885 357 T HA 0.499 4.849 4.350 -0.000 0.000 0.285 357 T C -2.276 172.416 174.700 -0.013 0.000 1.019 357 T CA -1.785 60.307 62.100 -0.013 0.000 1.010 357 T CB 1.376 70.231 68.868 -0.021 0.000 1.022 357 T HN 0.429 nan 8.240 nan 0.000 0.466 358 P HA -0.170 nan 4.420 nan 0.000 0.219 358 P C 1.773 179.061 177.300 -0.020 0.000 1.153 358 P CA 1.800 64.887 63.100 -0.023 0.000 0.865 358 P CB -0.333 31.351 31.700 -0.028 0.000 0.788 359 G N -0.839 107.951 108.800 -0.016 0.000 2.408 359 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 359 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 359 G C 1.538 176.421 174.900 -0.028 0.000 1.150 359 G CA 0.527 45.618 45.100 -0.016 0.000 0.776 359 G HN 0.317 nan 8.290 nan 0.000 0.542 360 Q N 0.126 119.908 119.800 -0.030 0.000 2.079 360 Q HA 0.038 4.378 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 0.467 nan 8.270 nan 0.000 0.430 361 A N 0.240 123.039 122.820 -0.034 0.000 1.930 361 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 361 A C 2.225 179.780 177.584 -0.049 0.000 1.175 361 A CA 1.556 53.568 52.037 -0.041 0.000 0.627 361 A CB -0.402 18.572 19.000 -0.044 0.000 0.815 361 A HN 0.224 nan 8.150 nan 0.000 0.443 362 S N -0.622 115.050 115.700 -0.046 0.000 2.402 362 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 362 S C 1.814 176.374 174.600 -0.067 0.000 1.021 362 S CA 1.276 59.442 58.200 -0.056 0.000 0.974 362 S CB -0.317 62.860 63.200 -0.038 0.000 0.800 362 S HN 0.482 nan 8.310 nan 0.000 0.484 363 L N 2.091 123.283 121.223 -0.051 0.000 2.056 363 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 363 L C 2.202 179.077 176.870 0.009 0.000 1.078 363 L CA 1.848 56.667 54.840 -0.035 0.000 0.749 363 L CB -1.362 40.669 42.059 -0.046 0.000 0.901 363 L HN 0.279 nan 8.230 nan 0.000 0.433 364 G N -0.458 108.332 108.800 -0.017 0.000 2.545 364 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 364 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 364 G C 1.701 176.615 174.900 0.023 0.000 1.218 364 G CA 0.931 46.028 45.100 -0.005 0.000 0.787 364 G HN 0.316 nan 8.290 nan 0.000 0.571 365 K N 1.216 121.600 120.400 -0.026 0.000 2.032 365 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 365 K C 2.823 179.407 176.600 -0.027 0.000 1.048 365 K CA 1.684 57.941 56.287 -0.050 0.000 0.927 365 K CB -0.770 31.673 32.500 -0.095 0.000 0.712 365 K HN 0.203 nan 8.250 nan 0.000 0.441 366 A N 0.375 123.171 122.820 -0.040 0.000 1.851 366 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 366 A C 2.171 179.862 177.584 0.178 0.000 1.195 366 A CA 1.757 53.766 52.037 -0.046 0.000 0.622 366 A CB -1.325 17.497 19.000 -0.297 0.000 0.831 366 A HN 0.656 nan 8.150 nan 0.000 0.444 367 W N 0.414 121.722 121.300 0.014 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 0.050 0.000 1.206 367 W CA 2.115 59.501 57.345 0.069 0.000 1.290 367 W CB -0.292 29.175 29.460 0.012 0.000 1.152 367 W HN 0.323 nan 8.180 nan 0.000 0.489 368 I N 0.598 121.330 120.570 0.270 0.000 2.163 368 I HA -0.396 3.774 4.170 -0.000 0.000 0.243 368 I C 2.767 178.855 176.117 -0.047 0.000 1.085 368 I CA 1.937 63.292 61.300 0.091 0.000 1.347 368 I CB -1.013 37.023 38.000 0.061 0.000 1.044 368 I HN 0.067 nan 8.210 nan 0.000 0.408 369 S N -0.600 115.095 115.700 -0.007 0.000 2.400 369 S HA -0.225 4.244 4.470 -0.000 0.000 0.232 369 S C 2.129 176.781 174.600 0.087 0.000 1.025 369 S CA 1.594 59.809 58.200 0.025 0.000 0.993 369 S CB -0.646 62.542 63.200 -0.020 0.000 0.808 369 S HN 0.442 nan 8.310 nan 0.000 0.478 370 S N 1.723 117.433 115.700 0.017 0.000 2.368 370 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 370 S C 1.825 176.311 174.600 -0.190 0.000 1.029 370 S CA 1.006 59.185 58.200 -0.035 0.000 0.988 370 S CB -0.337 62.787 63.200 -0.127 0.000 0.838 370 S HN 0.464 nan 8.310 nan 0.000 0.462 371 K N 1.621 121.802 120.400 -0.365 0.000 2.228 371 K HA 0.262 4.582 4.320 -0.000 0.000 0.202 371 K C 2.201 178.692 176.600 -0.181 0.000 1.051 371 K CA 1.017 57.078 56.287 -0.377 0.000 0.960 371 K CB -1.148 30.958 32.500 -0.657 0.000 0.743 371 K HN 0.424 nan 8.250 nan 0.000 0.458 372 A N 1.865 124.614 122.820 -0.118 0.000 1.933 372 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 372 A C 2.244 179.817 177.584 -0.019 0.000 1.175 372 A CA 1.132 53.147 52.037 -0.036 0.000 0.628 372 A CB -0.289 18.709 19.000 -0.004 0.000 0.814 372 A HN 0.162 nan 8.150 nan 0.000 0.444 373 R N -0.377 120.098 120.500 -0.043 0.000 2.073 373 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 373 R C 2.106 178.384 176.300 -0.037 0.000 1.134 373 R CA 1.657 57.712 56.100 -0.075 0.000 0.952 373 R CB -0.449 29.731 30.300 -0.200 0.000 0.850 373 R HN 0.700 nan 8.270 nan 0.000 0.433 374 E N -0.395 119.763 120.200 -0.070 0.000 2.058 374 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 374 E C 1.931 178.522 176.600 -0.015 0.000 0.997 374 E CA 1.838 58.206 56.400 -0.053 0.000 0.801 374 E CB -0.052 29.594 29.700 -0.089 0.000 0.746 374 E HN 0.331 nan 8.360 nan 0.000 0.450 375 T N 0.832 115.379 114.554 -0.012 0.000 2.746 375 T HA -0.147 4.202 4.350 -0.000 0.000 0.267 375 T C 1.971 176.703 174.700 0.053 0.000 1.039 375 T CA 1.223 63.336 62.100 0.023 0.000 1.142 375 T CB -0.195 68.690 68.868 0.029 0.000 0.866 375 T HN 0.236 nan 8.240 nan 0.000 0.444 376 A N 1.003 123.873 122.820 0.083 0.000 1.930 376 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 376 A C 2.565 180.259 177.584 0.183 0.000 1.175 376 A CA 1.912 54.049 52.037 0.166 0.000 0.627 376 A CB -0.980 18.158 19.000 0.230 0.000 0.815 376 A HN 0.442 nan 8.150 nan 0.000 0.443 377 S N -0.434 115.367 115.700 0.168 0.000 2.368 377 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 377 S C 1.942 176.498 174.600 -0.073 0.000 1.030 377 S CA 1.442 59.683 58.200 0.067 0.000 0.999 377 S CB -0.477 62.777 63.200 0.089 0.000 0.844 377 S HN 0.492 nan 8.310 nan 0.000 0.459 378 L N 0.690 121.891 121.223 -0.036 0.000 2.027 378 L HA 0.040 4.380 4.340 -0.000 0.000 0.206 378 L C 2.917 179.738 176.870 -0.082 0.000 1.074 378 L CA 1.218 56.025 54.840 -0.054 0.000 0.745 378 L CB -1.224 40.824 42.059 -0.019 0.000 0.898 378 L HN 0.472 nan 8.230 nan 0.000 0.433 379 G N -0.362 108.402 108.800 -0.061 0.000 2.440 379 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.218 379 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.218 379 G C 1.802 176.597 174.900 -0.175 0.000 1.154 379 G CA 0.388 45.435 45.100 -0.089 0.000 0.767 379 G HN 0.143 nan 8.290 nan 0.000 0.552 380 R N 1.325 121.687 120.500 -0.229 0.000 2.081 380 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 380 R C 2.627 178.727 176.300 -0.334 0.000 1.131 380 R CA 1.861 57.742 56.100 -0.365 0.000 0.960 380 R CB -0.375 29.495 30.300 -0.717 0.000 0.856 380 R HN 0.716 nan 8.270 nan 0.000 0.436 381 E N -0.258 119.779 120.200 -0.272 0.000 2.285 381 E HA -0.095 4.254 4.350 -0.000 0.000 0.194 381 E C 2.109 178.598 176.600 -0.184 0.000 0.997 381 E CA 0.408 56.678 56.400 -0.216 0.000 0.845 381 E CB -0.317 29.282 29.700 -0.168 0.000 0.782 381 E HN 0.283 nan 8.360 nan 0.000 0.491 382 L N 0.192 121.307 121.223 -0.180 0.000 2.141 382 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 382 L C 1.858 178.607 176.870 -0.201 0.000 1.094 382 L CA 0.600 55.351 54.840 -0.149 0.000 0.763 382 L CB -0.048 41.938 42.059 -0.122 0.000 0.908 382 L HN 0.213 nan 8.230 nan 0.000 0.437 383 L N -0.895 120.111 121.223 -0.362 0.000 2.558 383 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 383 L C 1.610 178.220 176.870 -0.433 0.000 1.128 383 L CA 1.001 55.454 54.840 -0.646 0.000 0.868 383 L CB -0.667 40.812 42.059 -0.967 0.000 1.006 383 L HN 0.318 nan 8.230 nan 0.000 0.454 384 G N -0.118 108.517 108.800 -0.276 0.000 2.602 384 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.310 384 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.310 384 G C 1.156 175.923 174.900 -0.222 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 0.430 109.112 108.800 -0.196 0.000 2.511 385 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 385 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 385 G C 1.439 176.175 174.900 -0.274 0.000 1.218 385 G CA 1.483 46.469 45.100 -0.190 0.000 0.788 385 G HN 0.867 nan 8.290 nan 0.000 0.560 386 N N 0.998 119.429 118.700 -0.448 0.000 2.635 386 N HA 0.042 4.782 4.740 -0.000 0.000 0.191 386 N C 1.972 177.174 175.510 -0.514 0.000 1.155 386 N CA 0.391 53.075 53.050 -0.610 0.000 0.927 386 N CB -0.010 37.694 38.487 -1.305 0.000 0.976 386 N HN 0.346 nan 8.380 nan 0.000 0.448 387 G N 1.073 109.611 108.800 -0.436 0.000 2.598 387 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 387 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 387 G C 1.245 175.999 174.900 -0.244 0.000 1.131 387 G CA 0.184 45.069 45.100 -0.359 0.000 0.785 387 G HN 0.522 nan 8.290 nan 0.000 0.539 388 I N -2.524 117.939 120.570 -0.179 0.000 4.018 388 I HA 0.482 4.652 4.170 -0.000 0.000 0.337 388 I C -0.367 175.735 176.117 -0.025 0.000 1.327 388 I CA -0.531 60.716 61.300 -0.088 0.000 1.100 388 I CB 0.424 38.388 38.000 -0.062 0.000 1.025 388 I HN -0.239 nan 8.210 nan 0.000 0.396 389 L N 1.812 123.018 121.223 -0.027 0.000 2.275 389 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 389 L C 1.409 178.303 176.870 0.040 0.000 1.046 389 L CA 0.103 54.976 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 0.182 nan 8.230 nan 0.000 0.426 390 A N 1.912 124.732 122.820 -0.001 0.000 2.121 390 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 390 A C 1.624 179.158 177.584 -0.083 0.000 1.154 390 A CA 1.051 53.018 52.037 -0.116 0.000 0.679 390 A CB -0.415 18.514 19.000 -0.118 0.000 0.795 390 A HN 0.833 nan 8.150 nan 0.000 0.458 391 D N -0.854 119.520 120.400 -0.043 0.000 2.221 391 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 391 D C 0.321 176.411 176.300 -0.350 0.000 0.982 391 D CA 1.164 55.054 54.000 -0.183 0.000 0.857 391 D CB -0.127 40.538 40.800 -0.224 0.000 0.934 391 D HN 0.574 nan 8.370 nan 0.000 0.475 392 F N -0.257 119.629 119.950 -0.105 0.000 2.684 392 F HA 0.159 4.686 4.527 -0.000 0.000 0.298 392 F C 1.369 177.079 175.800 -0.150 0.000 1.120 392 F CA -0.337 57.586 58.000 -0.128 0.000 1.332 392 F CB 0.358 39.243 39.000 -0.192 0.000 0.986 392 F HN -0.267 nan 8.300 nan 0.000 0.524 393 L N -1.416 119.788 121.223 -0.032 0.000 3.447 393 L HA -0.451 3.889 4.340 -0.000 0.000 0.337 393 L C 1.498 178.328 176.870 -0.067 0.000 4.145 393 L CA 2.323 57.130 54.840 -0.054 0.000 1.229 393 L CB -1.480 40.567 42.059 -0.021 0.000 3.307 393 L HN -0.015 nan 8.230 nan 0.000 0.751 394 V N 0.171 120.056 119.914 -0.050 0.000 2.278 394 V HA -0.361 3.759 4.120 -0.000 0.000 0.251 394 V C 2.780 178.858 176.094 -0.028 0.000 1.062 394 V CA 3.129 65.400 62.300 -0.049 0.000 1.038 394 V CB -1.649 30.106 31.823 -0.114 0.000 0.646 394 V HN 0.842 nan 8.190 nan 0.000 0.447 395 A N 0.029 122.807 122.820 -0.070 0.000 1.883 395 A HA -0.305 4.014 4.320 -0.000 0.000 0.217 395 A C 2.378 179.935 177.584 -0.045 0.000 1.186 395 A CA 2.431 54.449 52.037 -0.031 0.000 0.624 395 A CB -0.573 18.392 19.000 -0.058 0.000 0.822 395 A HN 0.590 nan 8.150 nan 0.000 0.444 396 K N -0.328 119.895 120.400 -0.295 0.000 2.026 396 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 396 K C 2.107 178.520 176.600 -0.312 0.000 1.048 396 K CA 1.440 57.295 56.287 -0.721 0.000 0.929 396 K CB -0.378 31.519 32.500 -1.004 0.000 0.713 396 K HN 0.337 nan 8.250 nan 0.000 0.439 397 A N 0.613 123.358 122.820 -0.126 0.000 1.969 397 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 397 A C 1.956 179.591 177.584 0.085 0.000 1.169 397 A CA 1.102 53.145 52.037 0.010 0.000 0.635 397 A CB -0.752 18.276 19.000 0.047 0.000 0.810 397 A HN 0.560 nan 8.150 nan 0.000 0.445 398 F N 0.335 120.263 119.950 -0.037 0.000 2.102 398 F HA -0.236 4.290 4.527 -0.000 0.000 0.298 398 F C 2.375 178.193 175.800 0.031 0.000 1.105 398 F CA 1.759 59.750 58.000 -0.014 0.000 1.239 398 F CB -0.695 38.282 39.000 -0.038 0.000 0.991 398 F HN 0.285 nan 8.300 nan 0.000 0.474 399 C N 0.488 119.803 119.300 0.024 0.000 2.476 399 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 399 C C 2.436 177.487 174.990 0.102 0.000 1.274 399 C CA 1.226 60.270 59.018 0.043 0.000 1.713 399 C CB -1.132 26.824 27.740 0.359 0.000 2.039 399 C HN 0.470 nan 8.230 nan 0.000 0.484 400 D N 0.491 120.999 120.400 0.180 0.000 2.221 400 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 400 D C 1.899 178.284 176.300 0.142 0.000 0.982 400 D CA 0.818 54.950 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 0.436 nan 8.370 nan 0.000 0.475 401 L N 0.466 121.721 121.223 0.053 0.000 2.179 401 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 401 L C 2.111 178.997 176.870 0.027 0.000 1.096 401 L CA 0.787 55.651 54.840 0.041 0.000 0.779 401 L CB 0.093 42.147 42.059 -0.008 0.000 0.922 401 L HN -0.143 nan 8.230 nan 0.000 0.443 402 E N 0.355 120.519 120.200 -0.059 0.000 2.070 402 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 402 E C -0.488 176.145 176.600 0.055 0.000 1.004 402 E CA 1.730 58.086 56.400 -0.072 0.000 0.805 402 E CB -1.632 27.976 29.700 -0.154 0.000 0.744 402 E HN 0.499 nan 8.360 nan 0.000 0.451 403 P HA -0.078 nan 4.420 nan 0.000 0.217 403 P C 1.794 179.290 177.300 0.326 0.000 1.150 403 P CA 1.042 64.230 63.100 0.147 0.000 0.832 403 P CB -0.155 31.610 31.700 0.108 0.000 0.787 404 I N -1.653 119.106 120.570 0.315 0.000 2.286 404 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 404 I C 2.689 178.795 176.117 -0.019 0.000 1.115 404 I CA 1.410 62.788 61.300 0.130 0.000 1.392 404 I CB -0.899 37.181 38.000 0.133 0.000 1.065 404 I HN -0.133 nan 8.210 nan 0.000 0.418 405 Y N 1.509 121.782 120.300 -0.045 0.000 2.256 405 Y HA -0.285 4.265 4.550 -0.000 0.000 0.288 405 Y C 2.538 178.418 175.900 -0.035 0.000 1.155 405 Y CA 2.068 60.138 58.100 -0.051 0.000 1.203 405 Y CB -0.117 38.301 38.460 -0.070 0.000 0.980 405 Y HN 0.054 nan 8.280 nan 0.000 0.530 406 T N -0.823 113.796 114.554 0.108 0.000 3.004 406 T HA -0.001 4.348 4.350 -0.000 0.000 0.243 406 T C -0.209 174.486 174.700 -0.008 0.000 1.020 406 T CA 0.501 62.627 62.100 0.044 0.000 1.145 406 T CB -0.434 68.468 68.868 0.057 0.000 0.876 406 T HN 0.321 nan 8.240 nan 0.000 0.449 407 Y N 1.908 122.157 120.300 -0.085 0.000 2.314 407 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 407 Y C 0.543 176.414 175.900 -0.049 0.000 1.266 407 Y CA -1.018 57.027 58.100 -0.091 0.000 1.391 407 Y CB 0.294 38.689 38.460 -0.108 0.000 1.306 407 Y HN 0.178 nan 8.280 nan 0.000 0.558 408 E N 1.191 121.380 120.200 -0.019 0.000 2.416 408 E HA -0.082 4.268 4.350 -0.000 0.000 0.249 408 E C -0.095 176.442 176.600 -0.105 0.000 1.124 408 E CA 1.316 57.655 56.400 -0.101 0.000 0.732 408 E CB -1.590 27.941 29.700 -0.281 0.000 1.286 408 E HN 1.795 nan 8.360 nan 0.000 0.394 409 G N 0.213 108.988 108.800 -0.042 0.000 3.439 409 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.684 409 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.684 409 G C 0.027 174.876 174.900 -0.085 0.000 1.005 409 G CA 0.204 45.280 45.100 -0.039 0.000 0.837 409 G HN 0.896 nan 8.290 nan 0.000 0.470 410 T N 2.096 116.616 114.554 -0.056 0.000 2.932 410 T HA 0.222 4.571 4.350 -0.000 0.000 0.312 410 T C 1.599 176.233 174.700 -0.111 0.000 1.071 410 T CA 0.952 63.010 62.100 -0.071 0.000 1.128 410 T CB 0.423 69.284 68.868 -0.012 0.000 0.984 410 T HN 1.145 nan 8.240 nan 0.000 0.549 411 Y N 3.358 123.448 120.300 -0.350 0.000 2.096 411 Y HA -0.281 4.269 4.550 -0.000 0.000 0.278 411 Y C 2.067 177.850 175.900 -0.194 0.000 1.192 411 Y CA 2.749 60.617 58.100 -0.385 0.000 1.143 411 Y CB -0.296 37.777 38.460 -0.645 0.000 0.963 411 Y HN 0.789 nan 8.280 nan 0.000 0.505 412 D N -0.018 120.372 120.400 -0.018 0.000 2.117 412 D HA -0.198 4.441 4.640 -0.000 0.000 0.197 412 D C 2.321 178.498 176.300 -0.205 0.000 0.987 412 D CA 1.480 55.428 54.000 -0.085 0.000 0.829 412 D CB -0.279 40.521 40.800 0.001 0.000 0.961 412 D HN 0.353 nan 8.370 nan 0.000 0.460 413 I N 1.279 121.760 120.570 -0.149 0.000 2.179 413 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 413 I C 1.806 177.862 176.117 -0.101 0.000 1.088 413 I CA 1.120 62.348 61.300 -0.121 0.000 1.357 413 I CB -0.993 37.025 38.000 0.030 0.000 1.051 413 I HN -0.047 nan 8.210 nan 0.000 0.409 414 N N 0.570 119.190 118.700 -0.134 0.000 2.069 414 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 414 N C 1.790 177.189 175.510 -0.186 0.000 1.031 414 N CA 2.342 55.311 53.050 -0.136 0.000 0.852 414 N CB -0.471 37.904 38.487 -0.187 0.000 1.018 414 N HN 0.471 nan 8.380 nan 0.000 0.423 415 T N -1.201 113.150 114.554 -0.337 0.000 2.881 415 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 415 T C 1.830 176.405 174.700 -0.209 0.000 1.068 415 T CA 0.842 62.750 62.100 -0.320 0.000 1.131 415 T CB -0.402 68.187 68.868 -0.464 0.000 0.871 415 T HN 0.122 nan 8.240 nan 0.000 0.479 416 L N 0.334 121.403 121.223 -0.256 0.000 2.270 416 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 416 L C 2.804 179.678 176.870 0.007 0.000 1.104 416 L CA 0.298 54.944 54.840 -0.324 0.000 0.804 416 L CB -0.304 41.215 42.059 -0.900 0.000 0.937 416 L HN 0.155 nan 8.230 nan 0.000 0.450 417 V N -0.623 119.400 119.914 0.181 0.000 2.307 417 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 417 V C 2.500 178.660 176.094 0.109 0.000 1.045 417 V CA 2.361 64.832 62.300 0.284 0.000 1.024 417 V CB -0.838 31.097 31.823 0.187 0.000 0.651 417 V HN 0.447 nan 8.190 nan 0.000 0.449 418 T N 0.391 114.960 114.554 0.025 0.000 2.833 418 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 418 T C 1.907 176.608 174.700 0.002 0.000 1.054 418 T CA 1.417 63.514 62.100 -0.005 0.000 1.135 418 T CB -0.605 68.239 68.868 -0.041 0.000 0.869 418 T HN 0.624 nan 8.240 nan 0.000 0.466 419 G N 1.478 110.278 108.800 -0.001 0.000 2.433 419 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 419 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 419 G C 1.538 176.463 174.900 0.040 0.000 1.186 419 G CA 0.772 45.873 45.100 0.002 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.525 121.086 120.500 0.102 0.000 2.091 420 R HA -0.093 4.247 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 1.915 58.083 56.100 0.114 0.000 0.959 420 R CB -0.362 30.057 30.300 0.199 0.000 0.856 420 R HN 0.532 nan 8.270 nan 0.000 0.437 421 E N -0.403 119.822 120.200 0.043 0.000 2.072 421 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 421 E C 1.819 178.423 176.600 0.008 0.000 0.985 421 E CA 1.441 57.851 56.400 0.016 0.000 0.801 421 E CB 0.214 29.918 29.700 0.007 0.000 0.750 421 E HN 0.248 nan 8.360 nan 0.000 0.452 422 V N 0.730 120.648 119.914 0.007 0.000 2.346 422 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 422 V C 2.700 178.797 176.094 0.004 0.000 1.037 422 V CA 2.045 64.345 62.300 0.000 0.000 1.029 422 V CB -0.857 30.963 31.823 -0.005 0.000 0.663 422 V HN 0.518 nan 8.190 nan 0.000 0.454 423 T N -2.108 112.452 114.554 0.009 0.000 2.857 423 T HA 0.153 4.503 4.350 -0.000 0.000 0.266 423 T C 1.729 176.436 174.700 0.012 0.000 1.048 423 T CA 1.521 63.627 62.100 0.011 0.000 1.139 423 T CB 0.090 68.966 68.868 0.014 0.000 0.874 423 T HN 1.079 nan 8.240 nan 0.000 0.455 424 G N 1.259 110.069 108.800 0.017 0.000 2.176 424 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.232 424 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.232 424 G C 0.003 174.916 174.900 0.021 0.000 0.986 424 G CA 0.033 45.142 45.100 0.015 0.000 0.643 424 G HN 0.679 nan 8.290 nan 0.000 0.522 425 I N 1.419 122.007 120.570 0.030 0.000 2.378 425 I HA 0.653 4.823 4.170 -0.000 0.000 0.291 425 I C 0.619 176.776 176.117 0.067 0.000 0.992 425 I CA -0.738 60.585 61.300 0.038 0.000 1.154 425 I CB 2.004 40.022 38.000 0.030 0.000 1.315 425 I HN 0.229 nan 8.210 nan 0.000 0.448 426 A N 3.955 126.823 122.820 0.080 0.000 2.362 426 A HA 0.465 4.785 4.320 -0.000 0.000 0.276 426 A C 0.351 178.033 177.584 0.165 0.000 1.153 426 A CA -0.126 52.000 52.037 0.149 0.000 0.813 426 A CB 0.619 19.678 19.000 0.099 0.000 1.081 426 A HN 0.647 nan 8.150 nan 0.000 0.507 427 S N 2.102 117.935 115.700 0.221 0.000 2.474 427 S HA 0.443 4.913 4.470 -0.000 0.000 0.224 427 S C -0.196 174.441 174.600 0.063 0.000 1.209 427 S CA -0.372 57.892 58.200 0.106 0.000 1.212 427 S CB -0.635 62.574 63.200 0.014 0.000 1.137 427 S HN 0.578 nan 8.310 nan 0.000 0.446 428 F N 1.423 121.370 119.950 -0.005 0.000 2.315 428 F HA 0.475 5.002 4.527 -0.000 0.000 0.284 428 F C 1.322 177.120 175.800 -0.003 0.000 1.049 428 F CA 0.115 58.112 58.000 -0.005 0.000 1.323 428 F CB -0.229 38.767 39.000 -0.005 0.000 1.113 428 F HN 0.103 nan 8.300 nan 0.000 0.544 429 K N 1.718 122.242 120.400 0.207 0.000 2.336 429 K HA 0.091 4.411 4.320 -0.000 0.000 0.262 429 K C -1.927 174.712 176.600 0.065 0.000 0.992 429 K CA -1.075 55.277 56.287 0.108 0.000 0.927 429 K CB -0.346 32.201 32.500 0.078 0.000 0.956 429 K HN -0.038 nan 8.250 nan 0.000 0.495 430 P HA 0.139 nan 4.420 nan 0.000 0.289 430 P C -0.393 176.923 177.300 0.026 0.000 1.299 430 P CA -0.392 62.725 63.100 0.028 0.000 0.766 430 P CB 0.714 32.428 31.700 0.024 0.000 1.226 431 A N -0.517 122.314 122.820 0.019 0.000 2.099 431 A HA 0.051 4.371 4.320 -0.000 0.000 0.206 431 A C 1.780 179.374 177.584 0.016 0.000 1.464 431 A CA 2.560 54.607 52.037 0.017 0.000 0.603 431 A CB -1.724 17.284 19.000 0.013 0.000 1.056 431 A HN 0.689 nan 8.150 nan 0.000 0.492 432 T N -3.142 111.420 114.554 0.013 0.000 12.320 432 T HA -0.326 4.024 4.350 -0.000 0.000 0.419 432 T C 0.702 175.408 174.700 0.011 0.000 1.443 432 T CA 4.400 66.507 62.100 0.012 0.000 2.389 432 T CB -1.416 67.459 68.868 0.012 0.000 2.854 432 T HN 2.350 nan 8.240 nan 0.000 0.830 433 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