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 2jjd_1_B DATA FIRST_RESID 111 DATA SEQUENCE KYFPIPVEHL EEEIRIRSXX XXKQFREEFN SLPSGHIQGT FELANKEENR DATA SEQUENCE EKNRYPNILP NDHSRVILSQ LXGIPCSDYI NASYIDGYKE KNKFIAAQGP DATA SEQUENCE KQETVNDFWR MVWEQKSATI VMLTNLKERK EEKCHQYWPD QGcWTYGNIR DATA SEQUENCE VcVEDCVVLV DYTIRKFCIQ PXXXXXXKAP RLVSQLHFTS WPDFGVPFTP DATA SEQUENCE IGMLKFLKKV KTLNPVHAGP IVVHCSAGVG RTGTFIVIDA MMAMMHAEQK DATA SEQUENCE VDVFEFVSRI RNQRPQMVQT DMQYTFIYQA LLEYYLYGDT ELDVSSXXXX DATA SEQUENCE XXXXXXXXXX XXXXGLEEEF RKLTNVRIMK ENMRTGNLPA NMKKARVIQI DATA SEQUENCE IPYDFNRVIL SMXXXXXYTD YINASFIDGY RQKDYFIATQ GPLAHTVEDF DATA SEQUENCE WRMIWEWKSH TIVMLTEVQE REQDKCYQYW PTEGSVTHGE ITIEIKNDTL DATA SEQUENCE SEAISIRDFL VTLNXXXXXX GEQVRVVRQF HFHGWPEIGI PAEGKGMIDL DATA SEQUENCE IAAVQKQQQQ TGNHPITVHC SAGAGRTGTF IALSNILERV KAEGLLDVFQ DATA SEQUENCE AVKSLRLQRP HMVQTLEQYE FCYKVVQDFI D 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 111 K HA 0.000 nan 4.320 nan 0.000 0.191 111 K C 0.000 176.365 176.600 -0.392 0.000 0.988 111 K CA 0.000 56.127 56.287 -0.267 0.000 0.838 111 K CB 0.000 32.187 32.500 -0.523 0.000 1.064 112 Y N 1.445 121.613 120.300 -0.220 0.000 2.593 112 Y HA 0.692 5.242 4.550 -0.001 0.000 0.331 112 Y C -0.126 175.705 175.900 -0.115 0.000 0.986 112 Y CA -1.467 56.521 58.100 -0.187 0.000 1.262 112 Y CB 0.305 38.411 38.460 -0.589 0.000 1.098 112 Y HN 0.245 nan 8.280 nan 0.000 0.506 113 F N 3.121 123.122 119.950 0.085 0.000 2.411 113 F HA 0.547 5.074 4.527 -0.000 0.000 0.324 113 F C -1.845 174.041 175.800 0.144 0.000 1.086 113 F CA -2.998 55.060 58.000 0.098 0.000 1.028 113 F CB 0.103 39.129 39.000 0.042 0.000 1.284 113 F HN 0.269 nan 8.300 nan 0.000 0.501 114 P HA 0.176 nan 4.420 nan 0.000 0.268 114 P C -0.669 176.754 177.300 0.205 0.000 1.205 114 P CA 0.142 63.382 63.100 0.234 0.000 0.771 114 P CB 0.363 32.173 31.700 0.184 0.000 0.858 115 I N 4.911 125.590 120.570 0.182 0.000 2.315 115 I HA 0.239 4.408 4.170 -0.001 0.000 0.291 115 I C -2.097 174.075 176.117 0.093 0.000 1.006 115 I CA -2.528 58.863 61.300 0.152 0.000 1.265 115 I CB 1.219 39.330 38.000 0.185 0.000 1.387 115 I HN 0.127 nan 8.210 nan 0.000 0.475 116 P HA -0.033 nan 4.420 nan 0.000 0.268 116 P C 1.131 178.387 177.300 -0.074 0.000 1.204 116 P CA -0.258 62.862 63.100 0.034 0.000 0.768 116 P CB 0.761 32.528 31.700 0.112 0.000 0.842 117 V N 0.801 120.585 119.914 -0.217 0.000 2.469 117 V HA -0.276 3.843 4.120 -0.001 0.000 0.251 117 V C 2.308 178.116 176.094 -0.477 0.000 1.064 117 V CA 2.252 64.261 62.300 -0.485 0.000 1.066 117 V CB -2.290 29.056 31.823 -0.796 0.000 0.667 117 V HN 0.484 nan 8.190 nan 0.000 0.461 118 E N 0.392 120.393 120.200 -0.331 0.000 2.147 118 E HA -0.305 4.044 4.350 -0.001 0.000 0.199 118 E C 1.915 178.269 176.600 -0.409 0.000 1.005 118 E CA 2.154 58.341 56.400 -0.356 0.000 0.810 118 E CB -1.065 28.344 29.700 -0.486 0.000 0.736 118 E HN 0.956 nan 8.360 nan 0.000 0.460 119 H N -1.708 117.325 119.070 -0.063 0.000 2.542 119 H HA 0.268 4.823 4.556 -0.001 0.000 0.283 119 H C 1.716 177.026 175.328 -0.030 0.000 1.059 119 H CA 0.225 56.253 56.048 -0.034 0.000 1.162 119 H CB 0.545 30.292 29.762 -0.026 0.000 1.539 119 H HN 0.307 nan 8.280 nan 0.000 0.543 120 L N 2.075 123.304 121.223 0.009 0.000 2.005 120 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 120 L C 2.593 179.499 176.870 0.059 0.000 1.072 120 L CA 2.561 57.419 54.840 0.029 0.000 0.744 120 L CB -0.885 41.136 42.059 -0.063 0.000 0.895 120 L HN 0.361 nan 8.230 nan 0.000 0.433 121 E N -0.263 119.969 120.200 0.052 0.000 2.097 121 E HA -0.289 4.060 4.350 -0.001 0.000 0.196 121 E C 2.080 178.706 176.600 0.043 0.000 1.000 121 E CA 2.328 58.762 56.400 0.057 0.000 0.804 121 E CB -1.480 28.252 29.700 0.054 0.000 0.740 121 E HN 0.727 nan 8.360 nan 0.000 0.454 122 E N -0.125 120.102 120.200 0.046 0.000 2.047 122 E HA -0.006 4.343 4.350 -0.001 0.000 0.191 122 E C 2.288 178.884 176.600 -0.005 0.000 0.987 122 E CA 2.200 58.617 56.400 0.029 0.000 0.799 122 E CB -1.235 28.497 29.700 0.053 0.000 0.752 122 E HN 0.896 nan 8.360 nan 0.000 0.449 123 E N 0.748 120.946 120.200 -0.002 0.000 2.153 123 E HA -0.054 4.295 4.350 -0.001 0.000 0.194 123 E C 2.070 178.579 176.600 -0.153 0.000 0.988 123 E CA 1.175 57.535 56.400 -0.066 0.000 0.811 123 E CB -0.519 29.165 29.700 -0.027 0.000 0.746 123 E HN 0.550 nan 8.360 nan 0.000 0.466 124 I N 0.804 121.331 120.570 -0.072 0.000 2.179 124 I HA -0.223 3.946 4.170 -0.001 0.000 0.242 124 I C 3.202 179.273 176.117 -0.076 0.000 1.088 124 I CA 1.847 63.114 61.300 -0.054 0.000 1.357 124 I CB -1.543 36.515 38.000 0.096 0.000 1.051 124 I HN 0.525 nan 8.210 nan 0.000 0.409 125 R N 1.260 121.738 120.500 -0.036 0.000 2.083 125 R HA -0.155 4.185 4.340 -0.001 0.000 0.237 125 R C 2.163 178.421 176.300 -0.071 0.000 1.137 125 R CA 1.880 57.963 56.100 -0.028 0.000 0.951 125 R CB -1.721 28.574 30.300 -0.009 0.000 0.851 125 R HN 0.435 nan 8.270 nan 0.000 0.434 126 I N 0.525 121.033 120.570 -0.103 0.000 2.208 126 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 126 I C 1.600 177.611 176.117 -0.176 0.000 1.097 126 I CA 1.238 62.467 61.300 -0.119 0.000 1.363 126 I CB -0.138 37.790 38.000 -0.120 0.000 1.051 126 I HN 0.268 nan 8.210 nan 0.000 0.413 127 R N 1.052 121.356 120.500 -0.327 0.000 4.609 127 R HA 0.251 4.590 4.340 -0.001 0.000 0.235 127 R C -0.644 175.493 176.300 -0.271 0.000 1.836 127 R CA -0.029 55.776 56.100 -0.491 0.000 1.564 127 R CB -0.151 29.398 30.300 -1.251 0.000 1.382 127 R HN 0.223 nan 8.270 nan 0.000 0.776 134 Q N -0.226 119.595 119.800 0.035 0.000 2.245 134 Q HA 0.345 4.684 4.340 -0.001 0.000 0.201 134 Q C 2.003 178.066 176.000 0.105 0.000 0.955 134 Q CA 1.629 57.450 55.803 0.031 0.000 0.870 134 Q CB -0.665 28.036 28.738 -0.061 0.000 0.945 134 Q HN 0.623 nan 8.270 nan 0.000 0.461 135 F N 0.971 120.971 119.950 0.083 0.000 2.163 135 F HA 0.011 4.538 4.527 -0.001 0.000 0.297 135 F C 3.062 178.949 175.800 0.144 0.000 1.094 135 F CA 1.332 59.403 58.000 0.118 0.000 1.290 135 F CB -0.764 38.296 39.000 0.099 0.000 1.017 135 F HN 0.435 nan 8.300 nan 0.000 0.483 136 R N 0.618 121.307 120.500 0.314 0.000 2.091 136 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 136 R C 2.106 178.537 176.300 0.218 0.000 1.136 136 R CA 2.089 58.328 56.100 0.231 0.000 0.959 136 R CB -2.038 28.361 30.300 0.164 0.000 0.856 136 R HN 0.428 nan 8.270 nan 0.000 0.437 137 E N 0.884 121.197 120.200 0.188 0.000 2.106 137 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 137 E C 1.877 178.587 176.600 0.183 0.000 0.984 137 E CA 1.425 57.925 56.400 0.167 0.000 0.806 137 E CB -0.526 29.266 29.700 0.154 0.000 0.750 137 E HN 0.873 nan 8.360 nan 0.000 0.458 138 E N -1.192 119.125 120.200 0.195 0.000 2.058 138 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 138 E C 1.976 178.544 176.600 -0.054 0.000 0.997 138 E CA 1.405 57.787 56.400 -0.030 0.000 0.801 138 E CB -0.340 29.316 29.700 -0.073 0.000 0.746 138 E HN 0.539 nan 8.360 nan 0.000 0.450 139 F N 2.069 121.866 119.950 -0.255 0.000 2.161 139 F HA -0.158 4.368 4.527 -0.001 0.000 0.300 139 F C 1.684 177.368 175.800 -0.193 0.000 1.089 139 F CA 1.493 59.215 58.000 -0.464 0.000 1.282 139 F CB -0.209 38.556 39.000 -0.392 0.000 1.010 139 F HN 0.050 nan 8.300 nan 0.000 0.485 140 N N -0.267 118.365 118.700 -0.114 0.000 2.521 140 N HA -0.050 4.689 4.740 -0.001 0.000 0.188 140 N C 1.419 176.870 175.510 -0.098 0.000 1.146 140 N CA 0.970 53.932 53.050 -0.148 0.000 0.893 140 N CB -0.165 38.330 38.487 0.014 0.000 0.975 140 N HN 0.213 nan 8.380 nan 0.000 0.451 141 S N -0.095 115.595 115.700 -0.016 0.000 2.535 141 S HA 0.239 4.708 4.470 -0.001 0.000 0.214 141 S C 0.790 175.459 174.600 0.114 0.000 0.980 141 S CA -0.323 57.944 58.200 0.111 0.000 0.907 141 S CB 0.608 63.971 63.200 0.270 0.000 0.790 141 S HN 0.195 nan 8.310 nan 0.000 0.510 142 L N 2.952 124.106 121.223 -0.115 0.000 2.461 142 L HA 0.213 4.553 4.340 -0.001 0.000 0.272 142 L C -2.364 174.373 176.870 -0.222 0.000 1.197 142 L CA -1.456 53.199 54.840 -0.309 0.000 0.836 142 L CB -0.172 41.585 42.059 -0.503 0.000 1.105 142 L HN -0.001 nan 8.230 nan 0.000 0.477 143 P HA 0.253 nan 4.420 nan 0.000 0.293 143 P C -0.719 176.492 177.300 -0.149 0.000 1.300 143 P CA -0.390 62.634 63.100 -0.126 0.000 0.792 143 P CB 1.190 32.836 31.700 -0.091 0.000 0.925 144 S N 2.396 118.027 115.700 -0.115 0.000 2.405 144 S HA 0.402 4.872 4.470 -0.001 0.000 0.291 144 S C 1.168 175.666 174.600 -0.170 0.000 1.137 144 S CA -0.417 57.712 58.200 -0.119 0.000 1.061 144 S CB -0.512 62.679 63.200 -0.015 0.000 1.001 144 S HN 0.554 nan 8.310 nan 0.000 0.507 145 G N 2.098 110.739 108.800 -0.265 0.000 2.894 145 G HA2 0.231 4.190 3.960 -0.001 0.000 0.265 145 G HA3 0.231 4.190 3.960 -0.001 0.000 0.265 145 G C 0.664 175.447 174.900 -0.195 0.000 0.735 145 G CA -0.042 44.937 45.100 -0.202 0.000 2.064 145 G HN 0.887 nan 8.290 nan 0.000 0.590 146 H N 0.475 119.596 119.070 0.085 0.000 2.788 146 H HA 0.146 4.702 4.556 -0.001 0.000 0.262 146 H C 2.264 177.666 175.328 0.124 0.000 0.968 146 H CA -0.056 56.067 56.048 0.126 0.000 1.218 146 H CB 0.527 30.273 29.762 -0.028 0.000 1.443 146 H HN 0.472 nan 8.280 nan 0.000 0.478 147 I N 1.745 122.412 120.570 0.161 0.000 2.090 147 I HA -0.174 3.995 4.170 -0.001 0.000 0.236 147 I C 1.698 177.869 176.117 0.090 0.000 1.064 147 I CA 1.338 62.700 61.300 0.103 0.000 1.324 147 I CB -0.409 37.624 38.000 0.055 0.000 1.044 147 I HN 0.187 nan 8.210 nan 0.000 0.399 148 Q N 1.775 121.607 119.800 0.053 0.000 2.307 148 Q HA 0.533 4.873 4.340 -0.001 0.000 0.261 148 Q C 0.097 176.122 176.000 0.042 0.000 1.051 148 Q CA 0.184 56.001 55.803 0.024 0.000 0.911 148 Q CB 0.059 28.786 28.738 -0.018 0.000 1.227 148 Q HN 0.628 nan 8.270 nan 0.000 0.418 149 G N 0.924 109.756 108.800 0.052 0.000 2.301 149 G HA2 0.450 4.409 3.960 -0.001 0.000 0.290 149 G HA3 0.450 4.409 3.960 -0.001 0.000 0.290 149 G C -0.673 174.275 174.900 0.079 0.000 1.669 149 G CA -0.048 45.064 45.100 0.021 0.000 0.945 149 G HN 0.808 nan 8.290 nan 0.000 0.710 150 T N 0.539 114.972 114.554 -0.202 0.000 2.893 150 T HA 0.656 5.005 4.350 -0.001 0.000 0.293 150 T C -0.711 173.795 174.700 -0.323 0.000 1.027 150 T CA -0.230 61.844 62.100 -0.044 0.000 0.988 150 T CB 1.070 69.929 68.868 -0.014 0.000 1.043 150 T HN 0.473 nan 8.240 nan 0.000 0.461 151 F N 0.609 120.591 119.950 0.053 0.000 2.810 151 F HA 0.350 4.876 4.527 -0.001 0.000 0.353 151 F C 1.727 177.540 175.800 0.023 0.000 1.227 151 F CA -0.543 57.489 58.000 0.053 0.000 1.210 151 F CB -0.423 38.614 39.000 0.062 0.000 1.039 151 F HN 0.714 nan 8.300 nan 0.000 0.509 152 E N 1.015 121.289 120.200 0.123 0.000 2.038 152 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 152 E C 2.431 179.046 176.600 0.025 0.000 1.000 152 E CA 2.242 58.682 56.400 0.066 0.000 0.803 152 E CB -0.965 28.759 29.700 0.040 0.000 0.750 152 E HN 0.367 nan 8.360 nan 0.000 0.448 153 L N 0.247 121.479 121.223 0.016 0.000 2.141 153 L HA 0.551 4.891 4.340 -0.001 0.000 0.209 153 L C 3.009 179.763 176.870 -0.193 0.000 1.094 153 L CA 2.421 57.236 54.840 -0.042 0.000 0.763 153 L CB -1.537 40.542 42.059 0.034 0.000 0.908 153 L HN 0.737 nan 8.230 nan 0.000 0.437 154 A N -0.224 122.549 122.820 -0.079 0.000 1.969 154 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 154 A C 2.008 179.487 177.584 -0.174 0.000 1.169 154 A CA 1.649 53.589 52.037 -0.163 0.000 0.635 154 A CB -0.648 18.484 19.000 0.219 0.000 0.810 154 A HN 0.749 nan 8.150 nan 0.000 0.445 155 N N -0.359 118.302 118.700 -0.065 0.000 2.336 155 N HA 0.210 4.950 4.740 -0.001 0.000 0.189 155 N C 0.541 176.002 175.510 -0.081 0.000 1.113 155 N CA 0.723 53.741 53.050 -0.054 0.000 0.858 155 N CB -0.098 38.386 38.487 -0.004 0.000 0.970 155 N HN 0.496 nan 8.380 nan 0.000 0.471 156 K N 1.075 121.401 120.400 -0.124 0.000 2.524 156 K HA 0.216 4.535 4.320 -0.001 0.000 0.279 156 K C 1.362 177.905 176.600 -0.095 0.000 0.993 156 K CA 0.671 56.896 56.287 -0.104 0.000 1.030 156 K CB -0.788 31.638 32.500 -0.123 0.000 0.891 156 K HN 0.380 nan 8.250 nan 0.000 0.488 157 E N 1.330 121.493 120.200 -0.061 0.000 2.065 157 E HA -0.233 4.116 4.350 -0.001 0.000 0.201 157 E C 2.437 179.005 176.600 -0.052 0.000 1.016 157 E CA 2.792 59.163 56.400 -0.048 0.000 0.818 157 E CB -1.522 28.158 29.700 -0.033 0.000 0.749 157 E HN 1.139 nan 8.360 nan 0.000 0.453 158 E N 1.280 121.450 120.200 -0.052 0.000 2.114 158 E HA -0.278 4.071 4.350 -0.001 0.000 0.199 158 E C 1.959 178.526 176.600 -0.055 0.000 1.008 158 E CA 1.715 58.090 56.400 -0.043 0.000 0.810 158 E CB -0.843 28.836 29.700 -0.034 0.000 0.739 158 E HN 0.585 nan 8.360 nan 0.000 0.456 159 N N -0.785 117.844 118.700 -0.117 0.000 2.398 159 N HA 0.060 4.800 4.740 -0.001 0.000 0.188 159 N C 2.008 177.453 175.510 -0.109 0.000 1.122 159 N CA 1.015 53.963 53.050 -0.170 0.000 0.866 159 N CB 0.004 38.174 38.487 -0.529 0.000 0.970 159 N HN 0.589 nan 8.380 nan 0.000 0.462 160 R N 1.322 121.776 120.500 -0.077 0.000 2.083 160 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 160 R C 2.089 178.377 176.300 -0.020 0.000 1.137 160 R CA 2.098 58.170 56.100 -0.046 0.000 0.951 160 R CB -1.912 28.365 30.300 -0.039 0.000 0.851 160 R HN 0.512 nan 8.270 nan 0.000 0.434 161 E N 1.548 121.738 120.200 -0.017 0.000 2.478 161 E HA -0.073 4.276 4.350 -0.001 0.000 0.198 161 E C 1.914 178.512 176.600 -0.003 0.000 1.046 161 E CA 1.243 57.633 56.400 -0.016 0.000 0.870 161 E CB -0.431 29.258 29.700 -0.018 0.000 0.818 161 E HN 0.819 nan 8.360 nan 0.000 0.527 162 K N 0.176 120.598 120.400 0.037 0.000 2.379 162 K HA 0.106 4.425 4.320 -0.001 0.000 0.194 162 K C -0.008 176.647 176.600 0.092 0.000 1.031 162 K CA -0.171 56.166 56.287 0.083 0.000 1.037 162 K CB 0.419 33.040 32.500 0.200 0.000 0.824 162 K HN 0.139 nan 8.250 nan 0.000 0.516 163 N N 1.271 120.017 118.700 0.078 0.000 2.430 163 N HA 0.108 4.847 4.740 -0.001 0.000 0.292 163 N C 0.308 175.796 175.510 -0.038 0.000 1.051 163 N CA -0.103 52.986 53.050 0.065 0.000 0.917 163 N CB 1.858 40.410 38.487 0.109 0.000 1.164 163 N HN 0.015 nan 8.380 nan 0.000 0.484 164 R N 1.608 122.049 120.500 -0.098 0.000 2.066 164 R HA 0.045 4.384 4.340 -0.001 0.000 0.224 164 R C -0.310 175.691 176.300 -0.499 0.000 1.122 164 R CA 1.128 57.032 56.100 -0.328 0.000 0.974 164 R CB 0.202 30.253 30.300 -0.414 0.000 0.871 164 R HN 0.518 nan 8.270 nan 0.000 0.435 165 Y N 0.202 120.510 120.300 0.013 0.000 2.328 165 Y HA 0.333 4.882 4.550 -0.001 0.000 0.336 165 Y C -1.713 174.200 175.900 0.020 0.000 0.960 165 Y CA -2.825 55.283 58.100 0.014 0.000 1.134 165 Y CB 1.972 40.442 38.460 0.015 0.000 1.166 165 Y HN 0.091 nan 8.280 nan 0.000 0.464 166 P HA -0.034 nan 4.420 nan 0.000 0.241 166 P C 0.169 177.500 177.300 0.052 0.000 1.191 166 P CA 1.035 64.177 63.100 0.070 0.000 0.771 166 P CB 0.612 32.329 31.700 0.029 0.000 0.929 167 N N 0.016 118.758 118.700 0.070 0.000 2.392 167 N HA 0.095 4.834 4.740 -0.001 0.000 0.177 167 N C 0.647 176.197 175.510 0.065 0.000 1.066 167 N CA 0.386 53.445 53.050 0.015 0.000 0.895 167 N CB 0.517 39.003 38.487 -0.001 0.000 0.988 167 N HN 0.293 nan 8.380 nan 0.000 0.457 168 I N 2.187 122.832 120.570 0.125 0.000 2.347 168 I HA 0.295 4.464 4.170 -0.001 0.000 0.283 168 I C -0.711 175.516 176.117 0.183 0.000 1.058 168 I CA -0.151 61.236 61.300 0.145 0.000 1.202 168 I CB 0.580 38.648 38.000 0.112 0.000 1.386 168 I HN -0.279 nan 8.210 nan 0.000 0.475 169 L N 7.439 128.805 121.223 0.239 0.000 2.388 169 L HA 0.637 4.977 4.340 -0.001 0.000 0.264 169 L C -2.509 174.599 176.870 0.397 0.000 0.998 169 L CA -1.985 53.046 54.840 0.318 0.000 0.817 169 L CB 2.601 44.874 42.059 0.356 0.000 1.338 169 L HN 0.249 nan 8.230 nan 0.000 0.414 170 P HA 0.135 nan 4.420 nan 0.000 0.279 170 P C -1.274 176.020 177.300 -0.010 0.000 1.239 170 P CA -0.490 62.691 63.100 0.134 0.000 0.789 170 P CB 0.695 32.430 31.700 0.057 0.000 0.933 171 N N 1.496 120.017 118.700 -0.299 0.000 2.399 171 N HA -0.013 4.726 4.740 -0.001 0.000 0.250 171 N C 0.397 175.743 175.510 -0.272 0.000 1.272 171 N CA 0.107 52.730 53.050 -0.711 0.000 0.928 171 N CB -0.207 37.864 38.487 -0.693 0.000 1.158 171 N HN 0.201 nan 8.380 nan 0.000 0.463 172 D N -1.269 118.992 120.400 -0.232 0.000 2.219 172 D HA -0.141 4.498 4.640 -0.001 0.000 0.205 172 D C 1.332 177.626 176.300 -0.010 0.000 0.970 172 D CA 1.296 55.259 54.000 -0.062 0.000 0.851 172 D CB -0.357 40.423 40.800 -0.033 0.000 0.943 172 D HN 0.792 nan 8.370 nan 0.000 0.488 173 H N 0.043 119.059 119.070 -0.091 0.000 2.372 173 H HA 0.106 4.661 4.556 -0.001 0.000 0.301 173 H C 1.169 176.498 175.328 0.000 0.000 1.065 173 H CA 1.553 57.574 56.048 -0.044 0.000 1.364 173 H CB 0.325 30.053 29.762 -0.057 0.000 1.406 173 H HN -0.114 nan 8.280 nan 0.000 0.521 174 S N 0.613 116.357 115.700 0.074 0.000 2.572 174 S HA 0.147 4.616 4.470 -0.001 0.000 0.228 174 S C 0.599 175.236 174.600 0.061 0.000 0.963 174 S CA -0.476 57.786 58.200 0.104 0.000 0.939 174 S CB 0.167 63.449 63.200 0.137 0.000 0.804 174 S HN 0.276 nan 8.310 nan 0.000 0.480 175 R N 2.200 122.696 120.500 -0.006 0.000 2.585 175 R HA 0.098 4.437 4.340 -0.001 0.000 0.275 175 R C -0.586 175.637 176.300 -0.128 0.000 1.018 175 R CA 0.205 56.264 56.100 -0.068 0.000 1.072 175 R CB 0.292 30.583 30.300 -0.015 0.000 0.953 175 R HN 0.049 nan 8.270 nan 0.000 0.419 176 V N 7.057 126.778 119.914 -0.321 0.000 2.521 176 V HA 0.081 4.200 4.120 -0.001 0.000 0.286 176 V C 0.592 176.576 176.094 -0.182 0.000 1.034 176 V CA 0.122 62.178 62.300 -0.406 0.000 1.045 176 V CB 0.723 32.227 31.823 -0.532 0.000 0.974 176 V HN 0.547 nan 8.190 nan 0.000 0.480 177 I N 4.754 125.287 120.570 -0.063 0.000 2.355 177 I HA 0.527 4.696 4.170 -0.001 0.000 0.288 177 I C -0.310 175.803 176.117 -0.006 0.000 0.999 177 I CA -0.612 60.678 61.300 -0.016 0.000 1.163 177 I CB 1.092 39.107 38.000 0.025 0.000 1.316 177 I HN 0.314 nan 8.210 nan 0.000 0.454 178 L N 4.448 125.663 121.223 -0.013 0.000 2.436 178 L HA 0.413 4.752 4.340 -0.001 0.000 0.265 178 L C 1.334 178.223 176.870 0.032 0.000 1.168 178 L CA -0.037 54.808 54.840 0.007 0.000 0.815 178 L CB 0.851 42.912 42.059 0.004 0.000 1.109 178 L HN 0.884 nan 8.230 nan 0.000 0.462 179 S N 1.101 116.827 115.700 0.043 0.000 2.560 179 S HA 0.098 4.567 4.470 -0.001 0.000 0.284 179 S C 0.145 174.772 174.600 0.045 0.000 1.327 179 S CA -0.231 57.997 58.200 0.047 0.000 1.055 179 S CB 0.200 63.435 63.200 0.058 0.000 0.868 179 S HN 0.570 nan 8.310 nan 0.000 0.506 180 Q N 1.042 120.866 119.800 0.040 0.000 2.244 180 Q HA 0.510 4.849 4.340 -0.001 0.000 0.276 180 Q C -0.079 175.943 176.000 0.037 0.000 1.122 180 Q CA 0.347 56.172 55.803 0.038 0.000 0.920 180 Q CB -0.299 28.458 28.738 0.032 0.000 1.186 180 Q HN 0.856 nan 8.270 nan 0.000 0.393 184 I N 1.823 122.404 120.570 0.018 0.000 2.342 184 I HA 0.798 4.967 4.170 -0.001 0.000 0.291 184 I C -1.567 174.562 176.117 0.021 0.000 1.010 184 I CA -2.598 58.713 61.300 0.019 0.000 1.308 184 I CB 0.364 38.378 38.000 0.023 0.000 1.400 184 I HN 0.056 nan 8.210 nan 0.000 0.488 185 P HA 0.315 nan 4.420 nan 0.000 0.271 185 P C 0.713 178.025 177.300 0.019 0.000 1.218 185 P CA 1.080 64.189 63.100 0.015 0.000 0.780 185 P CB 0.621 32.326 31.700 0.008 0.000 0.901 186 C N 0.650 119.963 119.300 0.021 0.000 4.356 186 C HA -0.098 4.361 4.460 -0.001 0.000 0.296 186 C C 1.860 176.885 174.990 0.059 0.000 1.424 186 C CA 1.123 60.158 59.018 0.028 0.000 2.000 186 C CB -3.061 24.680 27.740 0.002 0.000 1.262 186 C HN 0.730 nan 8.230 nan 0.000 0.789 187 S N -0.807 114.926 115.700 0.056 0.000 2.603 187 S HA 0.394 4.864 4.470 -0.001 0.000 0.220 187 S C 1.481 176.128 174.600 0.077 0.000 0.967 187 S CA 1.854 60.093 58.200 0.065 0.000 0.920 187 S CB -0.610 62.619 63.200 0.048 0.000 0.773 187 S HN 1.874 nan 8.310 nan 0.000 0.529 188 D N -0.509 119.945 120.400 0.089 0.000 2.269 188 D HA 0.160 4.799 4.640 -0.001 0.000 0.208 188 D C 0.508 176.877 176.300 0.115 0.000 0.963 188 D CA 0.448 54.502 54.000 0.090 0.000 0.864 188 D CB -0.322 40.529 40.800 0.087 0.000 0.936 188 D HN 0.673 nan 8.370 nan 0.000 0.505 189 Y N -0.574 119.726 120.300 0.001 0.000 2.387 189 Y HA 0.601 5.151 4.550 -0.001 0.000 0.336 189 Y C -0.613 175.280 175.900 -0.010 0.000 1.067 189 Y CA -1.415 56.682 58.100 -0.006 0.000 1.114 189 Y CB 1.360 39.820 38.460 0.000 0.000 1.208 189 Y HN 0.185 nan 8.280 nan 0.000 0.458 190 I N 5.110 125.195 120.570 -0.808 0.000 2.827 190 I HA 0.280 4.450 4.170 -0.001 0.000 0.298 190 I C -1.337 174.186 176.117 -0.991 0.000 1.235 190 I CA -0.921 59.950 61.300 -0.715 0.000 1.021 190 I CB 1.837 39.644 38.000 -0.322 0.000 1.259 190 I HN 0.682 nan 8.210 nan 0.000 0.427 191 N N 5.808 124.148 118.700 -0.600 0.000 2.739 191 N HA 0.499 5.238 4.740 -0.001 0.000 0.266 191 N C -1.173 174.215 175.510 -0.202 0.000 1.168 191 N CA 0.270 53.131 53.050 -0.316 0.000 1.055 191 N CB 0.133 38.580 38.487 -0.067 0.000 1.393 191 N HN 0.662 nan 8.380 nan 0.000 0.514 192 A N 1.167 123.844 122.820 -0.237 0.000 2.604 192 A HA 0.698 5.017 4.320 -0.001 0.000 0.295 192 A C -1.129 176.326 177.584 -0.216 0.000 1.067 192 A CA -0.650 51.273 52.037 -0.190 0.000 0.683 192 A CB 1.018 19.887 19.000 -0.218 0.000 1.281 192 A HN 0.389 nan 8.150 nan 0.000 0.407 193 S N -0.101 115.490 115.700 -0.182 0.000 2.546 193 S HA 0.698 5.167 4.470 -0.001 0.000 0.274 193 S C -1.266 173.239 174.600 -0.158 0.000 1.121 193 S CA -0.651 57.438 58.200 -0.185 0.000 0.887 193 S CB 0.701 63.861 63.200 -0.066 0.000 1.094 193 S HN 0.548 nan 8.310 nan 0.000 0.474 194 Y N 1.309 121.606 120.300 -0.005 0.000 2.425 194 Y HA 0.456 5.005 4.550 -0.001 0.000 0.331 194 Y C 0.451 176.376 175.900 0.042 0.000 1.157 194 Y CA -0.313 57.799 58.100 0.019 0.000 1.372 194 Y CB 0.266 38.725 38.460 -0.003 0.000 1.253 194 Y HN 0.457 nan 8.280 nan 0.000 0.536 195 I N 3.736 124.464 120.570 0.262 0.000 2.533 195 I HA 0.205 4.374 4.170 -0.001 0.000 0.290 195 I C -0.925 175.361 176.117 0.283 0.000 1.056 195 I CA -1.038 60.387 61.300 0.207 0.000 1.057 195 I CB 1.987 40.090 38.000 0.170 0.000 1.240 195 I HN 0.513 nan 8.210 nan 0.000 0.423 196 D N 3.913 124.433 120.400 0.200 0.000 2.329 196 D HA 0.422 5.061 4.640 -0.001 0.000 0.246 196 D C 0.388 176.938 176.300 0.416 0.000 1.111 196 D CA 0.065 54.199 54.000 0.223 0.000 0.941 196 D CB 1.635 42.512 40.800 0.127 0.000 1.169 196 D HN 0.690 nan 8.370 nan 0.000 0.441 197 G N -0.694 108.330 108.800 0.375 0.000 2.642 197 G HA2 0.280 4.239 3.960 -0.001 0.000 0.291 197 G HA3 0.280 4.239 3.960 -0.001 0.000 0.291 197 G C -1.068 174.052 174.900 0.367 0.000 1.345 197 G CA -0.610 44.765 45.100 0.458 0.000 1.043 197 G HN 0.420 nan 8.290 nan 0.000 0.528 198 Y N 0.716 121.073 120.300 0.095 0.000 2.569 198 Y HA 0.324 4.873 4.550 -0.001 0.000 0.332 198 Y C 1.186 177.114 175.900 0.046 0.000 1.120 198 Y CA 0.769 58.882 58.100 0.021 0.000 1.416 198 Y CB -0.152 38.239 38.460 -0.114 0.000 1.210 198 Y HN 1.086 nan 8.280 nan 0.000 0.528 199 K N 3.667 123.816 120.400 -0.419 0.000 3.177 199 K HA -0.280 4.039 4.320 -0.001 0.000 0.266 199 K C -0.253 176.283 176.600 -0.107 0.000 0.937 199 K CA 1.599 57.697 56.287 -0.315 0.000 0.702 199 K CB -2.131 30.091 32.500 -0.463 0.000 1.365 199 K HN 0.877 nan 8.250 nan 0.000 0.466 200 E N -1.209 118.972 120.200 -0.033 0.000 2.466 200 E HA 0.482 4.832 4.350 -0.001 0.000 0.308 200 E C -0.100 176.499 176.600 -0.002 0.000 0.933 200 E CA 0.143 56.529 56.400 -0.023 0.000 0.800 200 E CB 0.889 30.572 29.700 -0.028 0.000 1.434 200 E HN 0.781 nan 8.360 nan 0.000 0.389 201 K N 2.861 123.247 120.400 -0.023 0.000 2.484 201 K HA 0.074 4.394 4.320 -0.001 0.000 0.280 201 K C 0.375 176.952 176.600 -0.039 0.000 1.013 201 K CA 0.572 56.845 56.287 -0.024 0.000 1.029 201 K CB -0.346 32.123 32.500 -0.051 0.000 0.902 201 K HN 0.738 nan 8.250 nan 0.000 0.481 202 N N 0.244 118.943 118.700 -0.002 0.000 2.740 202 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 202 N C 0.767 176.278 175.510 0.002 0.000 1.062 202 N CA 1.313 54.373 53.050 0.016 0.000 0.704 202 N CB -1.241 37.150 38.487 -0.159 0.000 0.968 202 N HN 0.883 nan 8.380 nan 0.000 0.547 203 K N -1.001 119.379 120.400 -0.033 0.000 2.097 203 K HA 0.014 4.333 4.320 -0.001 0.000 0.205 203 K C -0.025 176.305 176.600 -0.449 0.000 1.050 203 K CA 1.137 57.239 56.287 -0.308 0.000 0.938 203 K CB 0.152 32.375 32.500 -0.461 0.000 0.718 203 K HN 0.271 nan 8.250 nan 0.000 0.442 204 F N -0.400 119.615 119.950 0.109 0.000 2.598 204 F HA 0.459 4.985 4.527 -0.001 0.000 0.327 204 F C -0.264 175.595 175.800 0.098 0.000 1.057 204 F CA -1.154 56.908 58.000 0.103 0.000 0.957 204 F CB 1.325 40.398 39.000 0.122 0.000 1.278 204 F HN -0.306 nan 8.300 nan 0.000 0.484 205 I N 1.756 122.476 120.570 0.250 0.000 2.410 205 I HA 0.452 4.622 4.170 -0.001 0.000 0.286 205 I C -0.639 175.522 176.117 0.073 0.000 1.009 205 I CA -0.784 60.562 61.300 0.075 0.000 1.111 205 I CB 1.521 39.483 38.000 -0.063 0.000 1.262 205 I HN 0.671 nan 8.210 nan 0.000 0.443 206 A N 6.008 128.852 122.820 0.040 0.000 2.343 206 A HA 0.781 5.101 4.320 -0.001 0.000 0.305 206 A C 0.024 177.600 177.584 -0.014 0.000 1.308 206 A CA -0.214 51.831 52.037 0.014 0.000 0.949 206 A CB 0.179 19.179 19.000 -0.000 0.000 1.148 206 A HN 0.752 nan 8.150 nan 0.000 0.545 207 A N 2.808 125.637 122.820 0.014 0.000 2.374 207 A HA 0.652 4.972 4.320 -0.001 0.000 0.317 207 A C -0.012 177.580 177.584 0.013 0.000 1.094 207 A CA -0.726 51.312 52.037 0.001 0.000 0.765 207 A CB 0.698 19.723 19.000 0.042 0.000 1.268 207 A HN 1.006 nan 8.150 nan 0.000 0.438 208 Q N 1.405 121.189 119.800 -0.027 0.000 2.352 208 Q HA 0.458 4.797 4.340 -0.001 0.000 0.260 208 Q C 0.407 176.313 176.000 -0.157 0.000 0.976 208 Q CA -0.043 55.741 55.803 -0.031 0.000 0.881 208 Q CB 0.785 29.521 28.738 -0.004 0.000 1.235 208 Q HN 0.877 nan 8.270 nan 0.000 0.419 209 G N 3.934 112.648 108.800 -0.142 0.000 2.313 209 G HA2 0.218 4.177 3.960 -0.001 0.000 0.250 209 G HA3 0.218 4.177 3.960 -0.001 0.000 0.250 209 G C -2.194 172.456 174.900 -0.416 0.000 1.281 209 G CA -0.889 43.987 45.100 -0.373 0.000 0.917 209 G HN 0.645 nan 8.290 nan 0.000 0.501 210 P HA 0.168 nan 4.420 nan 0.000 0.269 210 P C -0.314 176.830 177.300 -0.260 0.000 1.215 210 P CA -0.027 62.768 63.100 -0.509 0.000 0.780 210 P CB 1.078 32.289 31.700 -0.816 0.000 0.898 211 K N -0.682 119.599 120.400 -0.199 0.000 2.295 211 K HA 0.511 4.830 4.320 -0.001 0.000 0.239 211 K C 1.532 177.937 176.600 -0.325 0.000 0.991 211 K CA -0.854 55.322 56.287 -0.186 0.000 0.845 211 K CB -0.050 32.357 32.500 -0.156 0.000 1.197 211 K HN 0.227 nan 8.250 nan 0.000 0.441 212 Q N 0.906 120.331 119.800 -0.624 0.000 2.124 212 Q HA -0.259 4.080 4.340 -0.001 0.000 0.215 212 Q C 1.958 177.796 176.000 -0.271 0.000 1.015 212 Q CA 3.073 58.452 55.803 -0.707 0.000 0.890 212 Q CB -1.620 26.813 28.738 -0.509 0.000 0.966 212 Q HN 0.740 nan 8.270 nan 0.000 0.412 213 E N -0.185 119.909 120.200 -0.176 0.000 2.418 213 E HA -0.016 4.333 4.350 -0.001 0.000 0.197 213 E C 1.876 178.452 176.600 -0.040 0.000 1.026 213 E CA 1.132 57.485 56.400 -0.078 0.000 0.862 213 E CB -0.072 29.591 29.700 -0.061 0.000 0.799 213 E HN 1.063 nan 8.360 nan 0.000 0.518 214 T N -3.347 111.168 114.554 -0.064 0.000 3.145 214 T HA 0.208 4.558 4.350 -0.001 0.000 0.281 214 T C 1.625 176.317 174.700 -0.013 0.000 1.003 214 T CA 0.009 62.091 62.100 -0.029 0.000 0.901 214 T CB 0.259 69.096 68.868 -0.052 0.000 1.112 214 T HN 0.127 nan 8.240 nan 0.000 0.535 215 V N 2.699 122.612 119.914 -0.002 0.000 2.343 215 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 215 V C 2.600 178.824 176.094 0.217 0.000 1.051 215 V CA 2.018 64.353 62.300 0.058 0.000 1.036 215 V CB -0.660 31.261 31.823 0.163 0.000 0.654 215 V HN 0.643 nan 8.190 nan 0.000 0.451 216 N N 0.286 119.139 118.700 0.256 0.000 2.142 216 N HA -0.165 4.574 4.740 -0.001 0.000 0.186 216 N C 1.712 177.360 175.510 0.230 0.000 1.023 216 N CA 1.516 54.755 53.050 0.315 0.000 0.852 216 N CB -0.337 38.298 38.487 0.246 0.000 0.998 216 N HN 0.706 nan 8.380 nan 0.000 0.424 217 D N 1.177 121.660 120.400 0.139 0.000 2.178 217 D HA -0.166 4.474 4.640 -0.001 0.000 0.201 217 D C 1.615 177.945 176.300 0.051 0.000 0.980 217 D CA 0.723 54.772 54.000 0.082 0.000 0.842 217 D CB -0.752 40.073 40.800 0.043 0.000 0.948 217 D HN 0.193 nan 8.370 nan 0.000 0.472 218 F N -0.710 119.161 119.950 -0.132 0.000 2.102 218 F HA 0.023 4.549 4.527 -0.001 0.000 0.298 218 F C 2.022 177.669 175.800 -0.256 0.000 1.105 218 F CA 1.435 59.252 58.000 -0.306 0.000 1.239 218 F CB -0.393 38.275 39.000 -0.554 0.000 0.991 218 F HN 0.298 nan 8.300 nan 0.000 0.474 219 W N 0.332 121.604 121.300 -0.046 0.000 2.436 219 W HA -0.017 4.642 4.660 -0.001 0.000 0.284 219 W C 2.707 179.216 176.519 -0.016 0.000 1.225 219 W CA 0.829 58.134 57.345 -0.067 0.000 1.271 219 W CB -0.327 29.155 29.460 0.038 0.000 1.114 219 W HN -0.170 nan 8.180 nan 0.000 0.559 220 R N 0.415 121.049 120.500 0.223 0.000 2.115 220 R HA -0.167 4.172 4.340 -0.001 0.000 0.230 220 R C 2.117 178.489 176.300 0.119 0.000 1.111 220 R CA 1.411 57.623 56.100 0.188 0.000 0.976 220 R CB -0.482 29.896 30.300 0.129 0.000 0.870 220 R HN 0.262 nan 8.270 nan 0.000 0.445 221 M N 0.202 119.778 119.600 -0.039 0.000 2.077 221 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 221 M C 1.892 178.118 176.300 -0.123 0.000 1.070 221 M CA 1.613 56.835 55.300 -0.131 0.000 1.125 221 M CB 0.016 32.446 32.600 -0.284 0.000 1.339 221 M HN -0.003 nan 8.290 nan 0.000 0.409 222 V N 0.067 119.856 119.914 -0.208 0.000 2.392 222 V HA -0.329 3.791 4.120 -0.001 0.000 0.249 222 V C 2.118 178.274 176.094 0.103 0.000 1.059 222 V CA 2.188 64.423 62.300 -0.108 0.000 1.051 222 V CB -1.076 30.672 31.823 -0.125 0.000 0.658 222 V HN 0.746 nan 8.190 nan 0.000 0.455 223 W N 1.011 122.336 121.300 0.042 0.000 2.408 223 W HA -0.114 4.546 4.660 -0.001 0.000 0.311 223 W C 2.357 178.896 176.519 0.033 0.000 1.190 223 W CA 1.708 59.093 57.345 0.067 0.000 1.321 223 W CB -0.089 29.424 29.460 0.087 0.000 1.143 223 W HN 0.313 nan 8.180 nan 0.000 0.501 224 E N -0.180 120.101 120.200 0.134 0.000 2.153 224 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 224 E C 1.971 178.537 176.600 -0.058 0.000 0.988 224 E CA 0.943 57.361 56.400 0.030 0.000 0.811 224 E CB -0.146 29.611 29.700 0.095 0.000 0.746 224 E HN 0.217 nan 8.360 nan 0.000 0.466 225 Q N 0.155 119.924 119.800 -0.053 0.000 2.403 225 Q HA 0.023 4.362 4.340 -0.001 0.000 0.203 225 Q C 0.021 175.973 176.000 -0.082 0.000 0.932 225 Q CA 0.304 56.082 55.803 -0.041 0.000 0.945 225 Q CB 0.390 29.116 28.738 -0.021 0.000 1.045 225 Q HN 0.217 nan 8.270 nan 0.000 0.511 226 K N 0.035 120.339 120.400 -0.160 0.000 3.129 226 K HA -0.101 4.218 4.320 -0.001 0.000 0.273 226 K C -0.498 176.041 176.600 -0.102 0.000 1.123 226 K CA 0.333 56.508 56.287 -0.186 0.000 0.800 226 K CB -2.025 30.384 32.500 -0.152 0.000 1.238 226 K HN 0.026 nan 8.250 nan 0.000 0.492 227 S N -0.107 115.551 115.700 -0.070 0.000 2.564 227 S HA 0.348 4.817 4.470 -0.001 0.000 0.278 227 S C 1.293 175.892 174.600 -0.001 0.000 1.333 227 S CA 0.051 58.228 58.200 -0.039 0.000 1.048 227 S CB 1.552 64.729 63.200 -0.039 0.000 0.900 227 S HN 0.442 nan 8.310 nan 0.000 0.505 228 A N 2.758 125.571 122.820 -0.012 0.000 2.197 228 A HA 0.331 4.650 4.320 -0.001 0.000 0.210 228 A C 0.682 178.297 177.584 0.052 0.000 1.180 228 A CA 0.213 52.261 52.037 0.019 0.000 0.846 228 A CB 0.308 19.279 19.000 -0.049 0.000 0.884 228 A HN 0.633 nan 8.150 nan 0.000 0.487 229 T N 0.478 115.055 114.554 0.037 0.000 2.881 229 T HA 0.603 4.952 4.350 -0.001 0.000 0.290 229 T C -0.832 173.910 174.700 0.071 0.000 1.000 229 T CA -0.120 62.010 62.100 0.050 0.000 0.978 229 T CB 1.466 70.340 68.868 0.011 0.000 0.997 229 T HN 0.172 nan 8.240 nan 0.000 0.443 230 I N 2.608 123.245 120.570 0.111 0.000 2.406 230 I HA 0.494 4.663 4.170 -0.001 0.000 0.290 230 I C -0.581 175.584 176.117 0.080 0.000 0.999 230 I CA -1.149 60.235 61.300 0.140 0.000 1.124 230 I CB 1.943 40.103 38.000 0.267 0.000 1.289 230 I HN 0.258 nan 8.210 nan 0.000 0.441 231 V N 7.079 126.992 119.914 -0.001 0.000 2.313 231 V HA 0.330 4.450 4.120 -0.001 0.000 0.278 231 V C -0.021 175.907 176.094 -0.277 0.000 1.017 231 V CA -0.452 61.777 62.300 -0.118 0.000 0.823 231 V CB 1.431 33.066 31.823 -0.313 0.000 1.010 231 V HN 0.714 nan 8.190 nan 0.000 0.443 232 M N 5.976 125.418 119.600 -0.264 0.000 2.061 232 M HA 0.463 4.942 4.480 -0.001 0.000 0.346 232 M C -0.291 175.802 176.300 -0.346 0.000 1.112 232 M CA -0.266 54.672 55.300 -0.603 0.000 1.021 232 M CB 0.736 33.002 32.600 -0.557 0.000 1.530 232 M HN 0.569 nan 8.290 nan 0.000 0.437 233 L N 3.722 124.698 121.223 -0.412 0.000 2.741 233 L HA 0.269 4.608 4.340 -0.001 0.000 0.237 233 L C 0.524 177.248 176.870 -0.243 0.000 1.178 233 L CA -0.033 54.631 54.840 -0.293 0.000 0.973 233 L CB 0.260 42.050 42.059 -0.449 0.000 1.255 233 L HN 0.696 nan 8.230 nan 0.000 0.498 234 T N -1.130 113.319 114.554 -0.174 0.000 2.916 234 T HA 0.405 4.754 4.350 -0.001 0.000 0.292 234 T C -0.336 174.423 174.700 0.099 0.000 1.055 234 T CA -0.620 61.431 62.100 -0.083 0.000 1.009 234 T CB 1.623 70.440 68.868 -0.085 0.000 1.118 234 T HN -0.035 nan 8.240 nan 0.000 0.497 235 N N 2.088 120.859 118.700 0.120 0.000 2.476 235 N HA 0.397 5.136 4.740 -0.001 0.000 0.275 235 N C 1.326 176.909 175.510 0.121 0.000 1.190 235 N CA -0.490 52.680 53.050 0.200 0.000 0.977 235 N CB 1.212 39.765 38.487 0.110 0.000 1.200 235 N HN 0.524 nan 8.380 nan 0.000 0.515 236 L N 1.081 122.385 121.223 0.134 0.000 1.925 236 L HA -0.107 4.232 4.340 -0.001 0.000 0.214 236 L C 1.526 178.407 176.870 0.018 0.000 1.091 236 L CA 1.507 56.384 54.840 0.060 0.000 0.768 236 L CB -0.758 41.308 42.059 0.011 0.000 0.887 236 L HN 0.552 nan 8.230 nan 0.000 0.433 237 K N 1.084 121.486 120.400 0.003 0.000 2.168 237 K HA 0.568 4.887 4.320 -0.001 0.000 0.258 237 K C -0.153 176.445 176.600 -0.004 0.000 1.010 237 K CA 0.361 56.645 56.287 -0.004 0.000 0.929 237 K CB 0.024 32.518 32.500 -0.011 0.000 0.998 237 K HN 0.401 nan 8.250 nan 0.000 0.479 238 E N -0.718 119.473 120.200 -0.015 0.000 2.404 238 E HA 0.590 4.939 4.350 -0.001 0.000 0.298 238 E C 0.327 176.905 176.600 -0.037 0.000 0.908 238 E CA 0.624 57.000 56.400 -0.041 0.000 0.808 238 E CB -0.009 29.642 29.700 -0.082 0.000 1.380 238 E HN 2.309 nan 8.360 nan 0.000 0.392 239 R N 0.019 120.509 120.500 -0.017 0.000 3.774 239 R HA 0.115 4.454 4.340 -0.001 0.000 0.320 239 R C 1.893 178.208 176.300 0.026 0.000 1.175 239 R CA 2.576 58.685 56.100 0.015 0.000 0.849 239 R CB -3.342 26.978 30.300 0.033 0.000 1.365 239 R HN 2.661 nan 8.270 nan 0.000 0.502 240 K N -5.203 115.205 120.400 0.014 0.000 3.610 240 K HA 0.067 4.386 4.320 -0.001 0.000 0.283 240 K C 0.868 177.477 176.600 0.015 0.000 1.210 240 K CA 2.676 58.971 56.287 0.014 0.000 1.026 240 K CB -2.824 29.688 32.500 0.020 0.000 1.295 240 K HN 2.763 nan 8.250 nan 0.000 0.468 241 E N 0.459 120.671 120.200 0.020 0.000 2.216 241 E HA 0.614 4.963 4.350 -0.001 0.000 0.279 241 E C 0.172 176.779 176.600 0.013 0.000 0.997 241 E CA 0.411 56.824 56.400 0.023 0.000 0.817 241 E CB 0.726 30.453 29.700 0.044 0.000 1.096 241 E HN 1.739 nan 8.360 nan 0.000 0.393 242 E N 1.133 121.337 120.200 0.007 0.000 2.104 242 E HA 0.284 4.633 4.350 -0.001 0.000 0.278 242 E C 0.734 177.339 176.600 0.009 0.000 1.127 242 E CA -0.166 56.235 56.400 0.002 0.000 0.897 242 E CB 0.056 29.756 29.700 -0.001 0.000 1.043 242 E HN 0.366 nan 8.360 nan 0.000 0.410 243 K N 0.279 120.687 120.400 0.015 0.000 2.361 243 K HA 0.269 4.588 4.320 -0.001 0.000 0.196 243 K C 0.350 176.969 176.600 0.032 0.000 1.039 243 K CA 0.609 56.916 56.287 0.035 0.000 1.001 243 K CB -0.097 32.411 32.500 0.015 0.000 0.795 243 K HN 0.913 nan 8.250 nan 0.000 0.495 244 C N 0.415 119.728 119.300 0.022 0.000 3.199 244 C HA 0.310 4.769 4.460 -0.001 0.000 0.392 244 C C -1.367 173.635 174.990 0.020 0.000 1.050 244 C CA -1.214 57.817 59.018 0.022 0.000 1.222 244 C CB 0.574 28.354 27.740 0.067 0.000 1.595 244 C HN 0.671 nan 8.230 nan 0.000 0.560 245 H N 3.566 122.583 119.070 -0.088 0.000 2.548 245 H HA 0.262 4.817 4.556 -0.001 0.000 0.331 245 H C -0.082 175.170 175.328 -0.128 0.000 1.093 245 H CA 0.447 56.428 56.048 -0.112 0.000 1.367 245 H CB 1.331 31.023 29.762 -0.116 0.000 1.455 245 H HN 0.879 nan 8.280 nan 0.000 0.519 246 Q N 4.523 123.877 119.800 -0.742 0.000 2.271 246 Q HA -0.048 4.291 4.340 -0.001 0.000 0.273 246 Q C -0.685 174.951 176.000 -0.606 0.000 1.051 246 Q CA -0.144 55.113 55.803 -0.910 0.000 0.901 246 Q CB 0.156 28.229 28.738 -1.107 0.000 1.174 246 Q HN 0.726 nan 8.270 nan 0.000 0.385 247 Y N 2.542 122.585 120.300 -0.428 0.000 2.696 247 Y HA 0.395 4.944 4.550 -0.001 0.000 0.260 247 Y C -1.355 174.610 175.900 0.108 0.000 1.165 247 Y CA -1.299 56.724 58.100 -0.128 0.000 1.189 247 Y CB -0.295 38.018 38.460 -0.246 0.000 1.180 247 Y HN 0.477 nan 8.280 nan 0.000 0.538 248 W N -0.213 121.005 121.300 -0.137 0.000 3.127 248 W HA 0.816 5.475 4.660 -0.001 0.000 0.330 248 W C -3.269 173.291 176.519 0.070 0.000 1.187 248 W CA -3.099 54.211 57.345 -0.060 0.000 1.198 248 W CB 0.628 29.932 29.460 -0.260 0.000 1.408 248 W HN -0.249 nan 8.180 nan 0.000 0.529 249 P HA 0.176 nan 4.420 nan 0.000 0.271 249 P C 0.452 177.923 177.300 0.285 0.000 1.216 249 P CA 0.895 64.111 63.100 0.192 0.000 0.776 249 P CB 0.934 32.800 31.700 0.278 0.000 0.881 250 D N 1.442 121.912 120.400 0.116 0.000 2.085 250 D HA 0.047 4.686 4.640 -0.001 0.000 0.199 250 D C 1.195 177.608 176.300 0.189 0.000 0.981 250 D CA 1.768 55.869 54.000 0.167 0.000 0.834 250 D CB -0.568 40.261 40.800 0.047 0.000 0.992 250 D HN 0.697 nan 8.370 nan 0.000 0.457 251 Q N -1.618 118.265 119.800 0.138 0.000 2.301 251 Q HA 0.659 4.999 4.340 -0.001 0.000 0.267 251 Q C 1.257 177.349 176.000 0.154 0.000 1.035 251 Q CA 0.214 56.097 55.803 0.133 0.000 0.856 251 Q CB 1.019 29.812 28.738 0.091 0.000 1.337 251 Q HN 1.872 nan 8.270 nan 0.000 0.450 252 G N -0.689 108.199 108.800 0.145 0.000 2.556 252 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.283 252 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.283 252 G C 0.535 175.536 174.900 0.169 0.000 1.177 252 G CA 0.338 45.519 45.100 0.136 0.000 0.978 252 G HN 1.747 nan 8.290 nan 0.000 0.554 253 c N -1.091 117.603 118.600 0.157 0.000 2.971 253 c HA 0.914 5.483 4.570 -0.001 0.000 0.310 253 c C -0.629 173.591 174.090 0.217 0.000 1.285 253 c CA -0.408 56.011 56.329 0.150 0.000 1.593 253 c CB 1.931 44.475 42.510 0.056 0.000 2.076 253 c HN 0.837 nan 8.230 nan 0.000 0.472 254 W N 0.498 121.730 121.300 -0.113 0.000 3.800 254 W HA 0.484 5.143 4.660 -0.001 0.000 0.299 254 W C -0.665 175.645 176.519 -0.348 0.000 1.231 254 W CA -0.283 56.898 57.345 -0.273 0.000 1.232 254 W CB 1.354 30.561 29.460 -0.423 0.000 1.291 254 W HN 0.970 nan 8.180 nan 0.000 0.514 255 T N 3.990 118.161 114.554 -0.639 0.000 2.739 255 T HA 0.388 4.738 4.350 -0.001 0.000 0.298 255 T C -1.063 173.468 174.700 -0.282 0.000 0.929 255 T CA 0.210 62.081 62.100 -0.382 0.000 1.014 255 T CB -0.214 68.436 68.868 -0.363 0.000 0.914 255 T HN 0.254 nan 8.240 nan 0.000 0.509 256 Y N 3.762 124.082 120.300 0.034 0.000 2.751 256 Y HA 0.446 4.995 4.550 -0.001 0.000 0.333 256 Y C 1.526 177.470 175.900 0.073 0.000 1.122 256 Y CA 0.362 58.556 58.100 0.157 0.000 1.367 256 Y CB 0.366 38.949 38.460 0.206 0.000 1.242 256 Y HN 1.182 nan 8.280 nan 0.000 0.505 257 G N 1.641 110.525 108.800 0.139 0.000 2.536 257 G HA2 -0.440 3.519 3.960 -0.001 0.000 0.277 257 G HA3 -0.440 3.519 3.960 -0.001 0.000 0.277 257 G C 0.895 175.792 174.900 -0.006 0.000 1.155 257 G CA 0.274 45.418 45.100 0.074 0.000 0.960 257 G HN 0.768 nan 8.290 nan 0.000 0.544 258 N N -0.169 118.517 118.700 -0.022 0.000 2.276 258 N HA 0.564 5.303 4.740 -0.001 0.000 0.212 258 N C 0.391 175.801 175.510 -0.167 0.000 1.127 258 N CA 1.049 54.044 53.050 -0.091 0.000 0.834 258 N CB 0.139 38.575 38.487 -0.085 0.000 1.014 258 N HN 0.676 nan 8.380 nan 0.000 0.491 259 I N 1.189 121.679 120.570 -0.133 0.000 2.410 259 I HA 0.440 4.609 4.170 -0.001 0.000 0.286 259 I C 0.386 176.394 176.117 -0.183 0.000 1.009 259 I CA -1.161 60.005 61.300 -0.222 0.000 1.111 259 I CB 0.863 38.762 38.000 -0.168 0.000 1.262 259 I HN 0.387 nan 8.210 nan 0.000 0.443 260 R N 5.673 126.044 120.500 -0.215 0.000 2.196 260 R HA 0.664 5.003 4.340 -0.001 0.000 0.340 260 R C -0.828 175.370 176.300 -0.170 0.000 1.043 260 R CA -0.432 55.569 56.100 -0.166 0.000 0.883 260 R CB 0.488 30.700 30.300 -0.147 0.000 1.078 260 R HN 0.448 nan 8.270 nan 0.000 0.462 261 V N 1.621 121.440 119.914 -0.159 0.000 2.539 261 V HA 0.566 4.685 4.120 -0.001 0.000 0.292 261 V C 0.003 176.112 176.094 0.025 0.000 1.045 261 V CA -0.870 61.305 62.300 -0.208 0.000 0.945 261 V CB 1.658 33.155 31.823 -0.543 0.000 0.993 261 V HN 1.009 nan 8.190 nan 0.000 0.464 262 c N 3.552 122.226 118.600 0.123 0.000 2.535 262 c HA 0.517 5.086 4.570 -0.001 0.000 0.319 262 c C -0.035 174.278 174.090 0.372 0.000 1.171 262 c CA -0.887 55.570 56.329 0.214 0.000 1.394 262 c CB 1.560 44.153 42.510 0.138 0.000 1.990 262 c HN 0.635 nan 8.230 nan 0.000 0.466 263 V N 4.155 124.297 119.914 0.381 0.000 2.470 263 V HA 0.155 4.274 4.120 -0.001 0.000 0.276 263 V C 0.830 177.027 176.094 0.171 0.000 1.040 263 V CA 0.618 63.131 62.300 0.355 0.000 1.008 263 V CB 0.818 32.838 31.823 0.328 0.000 0.990 263 V HN 0.908 nan 8.190 nan 0.000 0.477 264 E N 2.540 122.793 120.200 0.089 0.000 2.330 264 E HA 0.215 4.564 4.350 -0.001 0.000 0.200 264 E C 0.667 177.272 176.600 0.007 0.000 0.922 264 E CA 1.047 57.477 56.400 0.050 0.000 0.935 264 E CB 0.583 30.314 29.700 0.052 0.000 0.917 264 E HN 0.912 nan 8.360 nan 0.000 0.491 265 D N -0.962 119.410 120.400 -0.048 0.000 2.654 265 D HA 0.614 5.253 4.640 -0.001 0.000 0.231 265 D C -0.866 175.370 176.300 -0.107 0.000 1.239 265 D CA -0.049 53.919 54.000 -0.054 0.000 0.790 265 D CB 1.066 41.841 40.800 -0.043 0.000 1.480 265 D HN 0.279 nan 8.370 nan 0.000 0.442 266 C N 1.205 120.463 119.300 -0.070 0.000 2.397 266 C HA 0.827 5.287 4.460 -0.001 0.000 0.325 266 C C -0.232 174.720 174.990 -0.064 0.000 1.201 266 C CA -0.615 58.353 59.018 -0.084 0.000 1.377 266 C CB 0.523 28.234 27.740 -0.048 0.000 2.038 266 C HN 0.739 nan 8.230 nan 0.000 0.457 267 V N 5.207 125.078 119.914 -0.071 0.000 2.357 267 V HA 0.546 4.665 4.120 -0.001 0.000 0.284 267 V C -0.017 176.005 176.094 -0.120 0.000 1.018 267 V CA -0.560 61.696 62.300 -0.074 0.000 0.841 267 V CB 1.340 33.135 31.823 -0.046 0.000 0.991 267 V HN 0.674 nan 8.190 nan 0.000 0.437 268 V N 7.260 127.083 119.914 -0.153 0.000 2.304 268 V HA 0.400 4.519 4.120 -0.001 0.000 0.269 268 V C 0.152 176.054 176.094 -0.320 0.000 1.036 268 V CA -0.081 62.089 62.300 -0.217 0.000 0.840 268 V CB 0.904 32.620 31.823 -0.179 0.000 1.036 268 V HN 0.635 nan 8.190 nan 0.000 0.466 269 L N 4.005 124.948 121.223 -0.466 0.000 2.416 269 L HA 0.454 4.793 4.340 -0.001 0.000 0.263 269 L C 1.511 178.044 176.870 -0.562 0.000 1.065 269 L CA -0.350 54.092 54.840 -0.664 0.000 0.798 269 L CB 1.178 42.654 42.059 -0.971 0.000 1.267 269 L HN 0.367 nan 8.230 nan 0.000 0.467 270 V N 0.691 120.282 119.914 -0.539 0.000 2.307 270 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 270 V C 1.921 177.822 176.094 -0.323 0.000 1.045 270 V CA 2.812 64.901 62.300 -0.351 0.000 1.024 270 V CB -0.284 31.398 31.823 -0.234 0.000 0.651 270 V HN 0.998 nan 8.190 nan 0.000 0.449 271 D N -2.111 118.082 120.400 -0.345 0.000 2.346 271 D HA 0.234 4.873 4.640 -0.001 0.000 0.206 271 D C 0.555 176.591 176.300 -0.441 0.000 1.001 271 D CA 0.817 54.622 54.000 -0.325 0.000 0.871 271 D CB 0.024 40.776 40.800 -0.079 0.000 0.943 271 D HN 0.838 nan 8.370 nan 0.000 0.518 272 Y N -2.957 117.145 120.300 -0.329 0.000 2.624 272 Y HA 0.551 5.101 4.550 -0.001 0.000 0.334 272 Y C -0.462 175.355 175.900 -0.138 0.000 1.155 272 Y CA -0.938 57.023 58.100 -0.233 0.000 1.046 272 Y CB 1.034 39.543 38.460 0.081 0.000 1.316 272 Y HN -0.010 nan 8.280 nan 0.000 0.457 273 T N 0.583 115.150 114.554 0.022 0.000 2.924 273 T HA 0.783 5.133 4.350 -0.001 0.000 0.291 273 T C -1.469 173.313 174.700 0.137 0.000 1.045 273 T CA -0.714 61.365 62.100 -0.035 0.000 1.015 273 T CB 1.788 70.568 68.868 -0.146 0.000 1.103 273 T HN 0.913 nan 8.240 nan 0.000 0.496 274 I N 1.429 122.030 120.570 0.052 0.000 2.478 274 I HA 0.526 4.696 4.170 -0.001 0.000 0.287 274 I C -0.561 175.501 176.117 -0.091 0.000 1.042 274 I CA -0.899 60.433 61.300 0.053 0.000 1.067 274 I CB 1.602 39.671 38.000 0.115 0.000 1.233 274 I HN 0.668 nan 8.210 nan 0.000 0.431 275 R N 5.015 125.394 120.500 -0.202 0.000 2.534 275 R HA 0.482 4.821 4.340 -0.001 0.000 0.301 275 R C -1.224 174.726 176.300 -0.584 0.000 0.961 275 R CA -1.035 54.797 56.100 -0.447 0.000 0.871 275 R CB 2.297 32.188 30.300 -0.680 0.000 1.170 275 R HN 0.279 nan 8.270 nan 0.000 0.446 276 K N 2.975 123.057 120.400 -0.531 0.000 2.339 276 K HA 0.372 4.691 4.320 -0.001 0.000 0.264 276 K C -1.379 174.999 176.600 -0.371 0.000 0.986 276 K CA -0.070 56.016 56.287 -0.335 0.000 0.866 276 K CB 0.635 33.058 32.500 -0.129 0.000 1.103 276 K HN 0.296 nan 8.250 nan 0.000 0.441 277 F N 1.518 121.541 119.950 0.122 0.000 2.470 277 F HA 0.462 4.988 4.527 -0.001 0.000 0.329 277 F C 0.015 175.894 175.800 0.131 0.000 1.072 277 F CA -1.103 56.984 58.000 0.145 0.000 0.989 277 F CB 1.579 40.715 39.000 0.227 0.000 1.193 277 F HN 0.318 nan 8.300 nan 0.000 0.481 278 C N 5.980 125.480 119.300 0.333 0.000 2.362 278 C HA 0.633 5.092 4.460 -0.001 0.000 0.309 278 C C -0.158 174.928 174.990 0.159 0.000 1.110 278 C CA -0.788 58.358 59.018 0.215 0.000 1.485 278 C CB -1.562 26.270 27.740 0.154 0.000 1.949 278 C HN 0.663 nan 8.230 nan 0.000 0.419 279 I N 3.834 124.512 120.570 0.181 0.000 2.498 279 I HA 0.749 4.918 4.170 -0.001 0.000 0.301 279 I C -0.810 175.368 176.117 0.102 0.000 0.984 279 I CA -0.119 61.228 61.300 0.079 0.000 1.204 279 I CB 1.642 39.709 38.000 0.111 0.000 1.362 279 I HN 0.773 nan 8.210 nan 0.000 0.471 280 Q N 5.912 125.620 119.800 -0.153 0.000 2.574 280 Q HA 0.486 4.825 4.340 -0.001 0.000 0.265 280 Q C -2.997 172.725 176.000 -0.464 0.000 0.975 280 Q CA -1.252 54.368 55.803 -0.305 0.000 0.923 280 Q CB 3.022 31.711 28.738 -0.082 0.000 1.518 280 Q HN 0.530 nan 8.270 nan 0.000 0.401 289 A N 3.733 126.657 122.820 0.173 0.000 2.515 289 A HA 0.512 4.831 4.320 -0.001 0.000 0.263 289 A C -1.815 175.914 177.584 0.243 0.000 1.096 289 A CA -0.292 51.837 52.037 0.154 0.000 0.769 289 A CB -0.604 18.457 19.000 0.102 0.000 1.040 289 A HN 0.445 nan 8.150 nan 0.000 0.505 290 P HA 0.274 nan 4.420 nan 0.000 0.270 290 P C -0.413 177.025 177.300 0.231 0.000 1.223 290 P CA -0.177 63.056 63.100 0.221 0.000 0.785 290 P CB 0.725 32.503 31.700 0.129 0.000 0.923 291 R N 1.155 121.827 120.500 0.288 0.000 2.744 291 R HA 0.560 4.899 4.340 -0.001 0.000 0.279 291 R C -1.006 175.428 176.300 0.224 0.000 0.977 291 R CA -0.945 55.295 56.100 0.233 0.000 0.906 291 R CB 1.333 31.773 30.300 0.233 0.000 1.197 291 R HN 0.427 nan 8.270 nan 0.000 0.463 292 L N 3.926 125.255 121.223 0.176 0.000 2.265 292 L HA 0.437 4.776 4.340 -0.001 0.000 0.289 292 L C -0.802 176.182 176.870 0.190 0.000 1.033 292 L CA -0.761 54.184 54.840 0.175 0.000 0.814 292 L CB 1.798 43.931 42.059 0.124 0.000 1.203 292 L HN 0.323 nan 8.230 nan 0.000 0.423 293 V N 2.510 122.585 119.914 0.267 0.000 2.417 293 V HA 0.385 4.504 4.120 -0.001 0.000 0.291 293 V C -0.061 176.189 176.094 0.260 0.000 1.024 293 V CA -0.556 61.920 62.300 0.293 0.000 0.861 293 V CB 1.987 34.082 31.823 0.453 0.000 0.985 293 V HN 0.823 nan 8.190 nan 0.000 0.436 294 S N 4.537 120.327 115.700 0.151 0.000 2.433 294 S HA 0.537 5.006 4.470 -0.001 0.000 0.310 294 S C -0.582 174.068 174.600 0.083 0.000 1.097 294 S CA -0.708 57.526 58.200 0.057 0.000 1.103 294 S CB 1.501 64.709 63.200 0.012 0.000 0.992 294 S HN 0.741 nan 8.310 nan 0.000 0.469 295 Q N 2.768 122.591 119.800 0.039 0.000 2.278 295 Q HA 0.469 4.808 4.340 -0.001 0.000 0.257 295 Q C -1.672 174.345 176.000 0.028 0.000 0.928 295 Q CA -0.680 55.171 55.803 0.079 0.000 0.932 295 Q CB 0.761 29.569 28.738 0.116 0.000 1.221 295 Q HN 0.748 nan 8.270 nan 0.000 0.434 296 L N 4.308 125.576 121.223 0.076 0.000 2.294 296 L HA 0.360 4.699 4.340 -0.001 0.000 0.283 296 L C -0.471 176.612 176.870 0.354 0.000 1.015 296 L CA -0.292 54.652 54.840 0.174 0.000 0.831 296 L CB 1.294 43.334 42.059 -0.032 0.000 1.217 296 L HN 0.619 nan 8.230 nan 0.000 0.420 297 H N 3.913 123.128 119.070 0.242 0.000 2.638 297 H HA 0.273 4.828 4.556 -0.001 0.000 0.303 297 H C -1.069 174.342 175.328 0.138 0.000 1.034 297 H CA -0.936 55.186 56.048 0.123 0.000 1.225 297 H CB 0.785 30.533 29.762 -0.024 0.000 1.394 297 H HN 0.503 nan 8.280 nan 0.000 0.477 298 F N 5.083 125.082 119.950 0.081 0.000 2.462 298 F HA 0.073 4.600 4.527 -0.001 0.000 0.360 298 F C 0.753 176.526 175.800 -0.045 0.000 1.134 298 F CA 0.235 58.072 58.000 -0.271 0.000 1.148 298 F CB 0.966 39.502 39.000 -0.772 0.000 1.147 298 F HN 0.545 nan 8.300 nan 0.000 0.550 299 T N 2.858 117.142 114.554 -0.449 0.000 3.035 299 T HA -0.009 4.340 4.350 -0.001 0.000 0.259 299 T C 2.273 176.782 174.700 -0.318 0.000 1.078 299 T CA 1.134 63.025 62.100 -0.349 0.000 1.132 299 T CB -0.000 68.636 68.868 -0.387 0.000 0.900 299 T HN 0.704 nan 8.240 nan 0.000 0.480 300 S N 0.528 115.828 115.700 -0.666 0.000 2.481 300 S HA -0.008 4.462 4.470 -0.001 0.000 0.231 300 S C 0.763 175.272 174.600 -0.151 0.000 0.996 300 S CA 0.050 57.988 58.200 -0.437 0.000 0.942 300 S CB -0.480 62.347 63.200 -0.622 0.000 0.768 300 S HN 0.508 nan 8.310 nan 0.000 0.520 301 W N 4.411 125.668 121.300 -0.072 0.000 2.397 301 W HA 0.215 4.874 4.660 -0.001 0.000 0.327 301 W C -2.503 173.950 176.519 -0.109 0.000 1.421 301 W CA -1.773 55.561 57.345 -0.018 0.000 1.288 301 W CB 0.428 29.918 29.460 0.049 0.000 1.312 301 W HN 0.146 nan 8.180 nan 0.000 0.559 302 P HA 0.102 nan 4.420 nan 0.000 0.274 302 P C 0.534 177.926 177.300 0.153 0.000 1.237 302 P CA 0.746 63.898 63.100 0.087 0.000 0.793 302 P CB 0.602 32.319 31.700 0.028 0.000 0.977 303 D N 0.867 121.305 120.400 0.064 0.000 2.116 303 D HA -0.193 4.447 4.640 -0.001 0.000 0.193 303 D C 0.954 177.117 176.300 -0.228 0.000 0.998 303 D CA 1.438 55.381 54.000 -0.095 0.000 0.836 303 D CB -0.841 39.919 40.800 -0.066 0.000 0.951 303 D HN 0.513 nan 8.370 nan 0.000 0.449 304 F N -0.908 119.101 119.950 0.098 0.000 2.815 304 F HA 0.516 5.042 4.527 -0.001 0.000 0.323 304 F C 1.216 177.064 175.800 0.080 0.000 1.151 304 F CA -0.323 57.725 58.000 0.080 0.000 1.191 304 F CB 1.940 40.971 39.000 0.051 0.000 1.069 304 F HN 0.436 nan 8.300 nan 0.000 0.514 305 G N -0.008 108.934 108.800 0.238 0.000 3.195 305 G HA2 0.609 4.569 3.960 -0.001 0.000 0.217 305 G HA3 0.609 4.569 3.960 -0.001 0.000 0.217 305 G C -1.110 173.792 174.900 0.003 0.000 1.166 305 G CA -0.102 45.064 45.100 0.111 0.000 0.812 305 G HN -0.006 nan 8.290 nan 0.000 0.617 306 V N -2.633 117.108 119.914 -0.288 0.000 3.126 306 V HA 0.832 4.951 4.120 -0.001 0.000 0.314 306 V C -2.834 172.680 176.094 -0.967 0.000 1.138 306 V CA -2.419 59.365 62.300 -0.860 0.000 1.034 306 V CB 1.613 32.962 31.823 -0.790 0.000 1.075 306 V HN 0.496 nan 8.190 nan 0.000 0.442 307 P HA 0.257 nan 4.420 nan 0.000 0.269 307 P C -0.043 176.939 177.300 -0.530 0.000 1.217 307 P CA 0.143 62.625 63.100 -1.030 0.000 0.783 307 P CB 0.187 31.467 31.700 -0.700 0.000 0.898 308 F N -0.632 119.261 119.950 -0.095 0.000 2.094 308 F HA 0.111 4.637 4.527 -0.001 0.000 0.291 308 F C 1.954 177.729 175.800 -0.041 0.000 1.109 308 F CA 1.406 59.343 58.000 -0.105 0.000 1.221 308 F CB -1.936 36.966 39.000 -0.164 0.000 1.014 308 F HN 0.214 nan 8.300 nan 0.000 0.473 309 T N 0.268 114.931 114.554 0.182 0.000 2.912 309 T HA 0.493 4.842 4.350 -0.001 0.000 0.280 309 T C -1.975 172.785 174.700 0.100 0.000 0.989 309 T CA -1.864 60.301 62.100 0.109 0.000 0.995 309 T CB 0.128 69.061 68.868 0.110 0.000 1.077 309 T HN -0.158 nan 8.240 nan 0.000 0.531 310 P HA 0.268 nan 4.420 nan 0.000 0.267 310 P C 1.847 179.190 177.300 0.072 0.000 1.289 310 P CA 0.231 63.314 63.100 -0.028 0.000 0.866 310 P CB -0.431 31.084 31.700 -0.308 0.000 1.309 311 I N 0.764 121.401 120.570 0.111 0.000 2.091 311 I HA -0.184 3.985 4.170 -0.001 0.000 0.239 311 I C 2.437 178.674 176.117 0.199 0.000 1.061 311 I CA 2.703 64.094 61.300 0.152 0.000 1.317 311 I CB -2.060 36.024 38.000 0.139 0.000 1.031 311 I HN 0.144 nan 8.210 nan 0.000 0.401 312 G N -0.475 108.462 108.800 0.228 0.000 2.553 312 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.218 312 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.218 312 G C 1.745 176.890 174.900 0.408 0.000 1.195 312 G CA 1.861 47.158 45.100 0.328 0.000 0.779 312 G HN 0.666 nan 8.290 nan 0.000 0.577 313 M N 0.207 119.993 119.600 0.310 0.000 2.213 313 M HA 0.137 4.617 4.480 -0.001 0.000 0.263 313 M C 2.312 178.737 176.300 0.208 0.000 1.062 313 M CA 1.150 56.559 55.300 0.181 0.000 1.105 313 M CB -0.369 32.299 32.600 0.113 0.000 1.385 313 M HN 0.218 nan 8.290 nan 0.000 0.417 314 L N -0.480 120.839 121.223 0.159 0.000 2.109 314 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 314 L C 2.781 179.733 176.870 0.136 0.000 1.086 314 L CA 1.512 56.410 54.840 0.096 0.000 0.760 314 L CB -1.021 41.098 42.059 0.100 0.000 0.910 314 L HN 0.357 nan 8.230 nan 0.000 0.437 315 K N 0.002 120.528 120.400 0.210 0.000 2.026 315 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 315 K C 1.874 178.580 176.600 0.177 0.000 1.048 315 K CA 1.787 58.205 56.287 0.218 0.000 0.929 315 K CB -1.475 31.198 32.500 0.288 0.000 0.713 315 K HN 0.261 nan 8.250 nan 0.000 0.439 316 F N 0.742 120.722 119.950 0.050 0.000 2.126 316 F HA -0.084 4.442 4.527 -0.001 0.000 0.299 316 F C 2.034 177.811 175.800 -0.039 0.000 1.096 316 F CA 1.733 59.648 58.000 -0.141 0.000 1.255 316 F CB -0.181 38.858 39.000 0.065 0.000 0.997 316 F HN 0.155 nan 8.300 nan 0.000 0.479 317 L N 0.470 121.738 121.223 0.075 0.000 2.291 317 L HA -0.049 4.290 4.340 -0.001 0.000 0.214 317 L C 2.527 179.330 176.870 -0.110 0.000 1.120 317 L CA 1.565 56.381 54.840 -0.041 0.000 0.799 317 L CB -0.701 41.286 42.059 -0.119 0.000 0.925 317 L HN 0.167 nan 8.230 nan 0.000 0.446 318 K N -0.146 120.212 120.400 -0.069 0.000 2.167 318 K HA -0.145 4.175 4.320 -0.001 0.000 0.203 318 K C 2.065 178.622 176.600 -0.072 0.000 1.052 318 K CA 1.434 57.692 56.287 -0.048 0.000 0.956 318 K CB -0.445 32.067 32.500 0.021 0.000 0.735 318 K HN 0.218 nan 8.250 nan 0.000 0.451 319 K N 0.408 120.732 120.400 -0.127 0.000 2.148 319 K HA 0.008 4.328 4.320 -0.001 0.000 0.204 319 K C 1.940 178.428 176.600 -0.186 0.000 1.050 319 K CA 1.212 57.413 56.287 -0.145 0.000 0.942 319 K CB -0.416 31.959 32.500 -0.208 0.000 0.724 319 K HN 0.147 nan 8.250 nan 0.000 0.446 320 V N 1.001 120.754 119.914 -0.267 0.000 2.295 320 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 320 V C 2.642 178.686 176.094 -0.085 0.000 1.049 320 V CA 2.490 64.683 62.300 -0.179 0.000 1.024 320 V CB -0.875 30.880 31.823 -0.113 0.000 0.648 320 V HN 0.557 nan 8.190 nan 0.000 0.447 321 K N -0.610 119.747 120.400 -0.072 0.000 2.113 321 K HA -0.296 4.023 4.320 -0.001 0.000 0.208 321 K C 2.137 178.705 176.600 -0.053 0.000 1.047 321 K CA 2.441 58.693 56.287 -0.058 0.000 0.928 321 K CB -1.576 30.888 32.500 -0.060 0.000 0.716 321 K HN 0.548 nan 8.250 nan 0.000 0.446 322 T N 0.848 115.372 114.554 -0.049 0.000 2.737 322 T HA 0.036 4.385 4.350 -0.001 0.000 0.265 322 T C 1.779 176.460 174.700 -0.031 0.000 1.038 322 T CA 1.377 63.459 62.100 -0.030 0.000 1.144 322 T CB -0.161 68.698 68.868 -0.014 0.000 0.866 322 T HN 0.385 nan 8.240 nan 0.000 0.434 323 L N 0.561 121.759 121.223 -0.042 0.000 2.558 323 L HA 0.240 4.580 4.340 -0.001 0.000 0.225 323 L C 0.660 177.504 176.870 -0.043 0.000 1.128 323 L CA -0.118 54.702 54.840 -0.033 0.000 0.868 323 L CB -0.243 41.797 42.059 -0.033 0.000 1.006 323 L HN 0.102 nan 8.230 nan 0.000 0.454 324 N N 1.564 120.228 118.700 -0.060 0.000 2.414 324 N HA 0.222 4.961 4.740 -0.001 0.000 0.256 324 N C -2.334 173.107 175.510 -0.116 0.000 1.029 324 N CA -1.587 51.413 53.050 -0.084 0.000 0.948 324 N CB 0.986 39.422 38.487 -0.084 0.000 1.102 324 N HN -0.123 nan 8.380 nan 0.000 0.496 325 P HA 0.064 nan 4.420 nan 0.000 0.271 325 P C 1.182 178.323 177.300 -0.265 0.000 1.216 325 P CA -0.182 62.778 63.100 -0.233 0.000 0.776 325 P CB 0.614 32.054 31.700 -0.434 0.000 0.881 326 V N 3.600 123.432 119.914 -0.137 0.000 2.317 326 V HA -0.304 3.815 4.120 -0.001 0.000 0.251 326 V C 2.436 178.477 176.094 -0.088 0.000 1.065 326 V CA 2.600 64.850 62.300 -0.084 0.000 1.049 326 V CB -1.715 30.101 31.823 -0.013 0.000 0.651 326 V HN 0.814 nan 8.190 nan 0.000 0.450 327 H N -0.274 118.773 119.070 -0.038 0.000 2.547 327 H HA 0.475 5.030 4.556 -0.001 0.000 0.272 327 H C 1.150 176.448 175.328 -0.051 0.000 0.989 327 H CA 0.639 56.661 56.048 -0.042 0.000 1.214 327 H CB -0.382 29.358 29.762 -0.037 0.000 1.389 327 H HN 0.667 nan 8.280 nan 0.000 0.577 328 A N 1.433 123.969 122.820 -0.473 0.000 2.346 328 A HA 0.422 4.742 4.320 -0.001 0.000 0.255 328 A C 1.187 178.695 177.584 -0.126 0.000 1.113 328 A CA 0.149 52.008 52.037 -0.298 0.000 0.798 328 A CB -0.292 18.510 19.000 -0.330 0.000 1.073 328 A HN 0.558 nan 8.150 nan 0.000 0.502 329 G N -0.686 108.060 108.800 -0.090 0.000 2.516 329 G HA2 0.493 4.453 3.960 -0.001 0.000 0.276 329 G HA3 0.493 4.453 3.960 -0.001 0.000 0.276 329 G C -2.357 172.500 174.900 -0.073 0.000 1.390 329 G CA -0.851 44.209 45.100 -0.067 0.000 1.050 329 G HN 0.663 nan 8.290 nan 0.000 0.519 330 P HA 0.192 nan 4.420 nan 0.000 0.272 330 P C -0.264 177.018 177.300 -0.031 0.000 1.223 330 P CA -0.019 63.059 63.100 -0.037 0.000 0.784 330 P CB 0.989 32.732 31.700 0.070 0.000 0.923 331 I N 1.842 122.387 120.570 -0.043 0.000 2.396 331 I HA 0.070 4.240 4.170 -0.001 0.000 0.289 331 I C 0.478 176.674 176.117 0.132 0.000 1.056 331 I CA -0.701 60.626 61.300 0.044 0.000 1.365 331 I CB 0.788 38.847 38.000 0.098 0.000 1.407 331 I HN 0.012 nan 8.210 nan 0.000 0.509 332 V N 8.107 128.064 119.914 0.072 0.000 2.427 332 V HA 0.117 4.237 4.120 -0.001 0.000 0.268 332 V C 0.253 176.409 176.094 0.102 0.000 1.046 332 V CA -0.263 62.076 62.300 0.065 0.000 0.970 332 V CB 1.050 32.862 31.823 -0.020 0.000 1.001 332 V HN 0.403 nan 8.190 nan 0.000 0.476 333 V N 6.153 126.124 119.914 0.094 0.000 2.448 333 V HA 0.577 4.696 4.120 -0.001 0.000 0.295 333 V C -0.387 175.710 176.094 0.005 0.000 1.025 333 V CA -0.626 61.657 62.300 -0.029 0.000 0.859 333 V CB 1.452 33.229 31.823 -0.077 0.000 0.988 333 V HN 1.145 nan 8.190 nan 0.000 0.431 334 H N 2.251 121.258 119.070 -0.106 0.000 2.895 334 H HA 0.827 5.382 4.556 -0.001 0.000 0.373 334 H C -0.069 175.165 175.328 -0.156 0.000 1.174 334 H CA -0.296 55.684 56.048 -0.114 0.000 1.144 334 H CB 1.576 31.272 29.762 -0.109 0.000 1.793 334 H HN 0.661 nan 8.280 nan 0.000 0.551 335 C N 0.373 119.651 119.300 -0.037 0.000 3.185 335 C HA 0.602 5.061 4.460 -0.001 0.000 0.077 335 C C 1.804 176.811 174.990 0.028 0.000 2.338 335 C CA 0.523 59.473 59.018 -0.114 0.000 1.535 335 C CB 0.822 28.418 27.740 -0.240 0.000 2.550 335 C HN 0.771 nan 8.230 nan 0.000 0.425 336 S N 0.138 115.835 115.700 -0.005 0.000 2.694 336 S HA 0.384 4.853 4.470 -0.001 0.000 0.225 336 S C 1.881 176.589 174.600 0.180 0.000 1.012 336 S CA 0.972 59.229 58.200 0.096 0.000 0.896 336 S CB -0.568 62.702 63.200 0.117 0.000 0.838 336 S HN 0.953 nan 8.310 nan 0.000 0.604 337 A N -0.081 122.804 122.820 0.108 0.000 2.123 337 A HA 0.484 4.803 4.320 -0.001 0.000 0.214 337 A C 1.656 179.275 177.584 0.058 0.000 1.152 337 A CA 1.161 53.269 52.037 0.118 0.000 0.728 337 A CB -0.882 18.023 19.000 -0.159 0.000 0.814 337 A HN 1.430 nan 8.150 nan 0.000 0.464 338 G N -1.522 107.282 108.800 0.006 0.000 2.157 338 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.248 338 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.248 338 G C 0.254 175.138 174.900 -0.027 0.000 0.979 338 G CA 0.677 45.774 45.100 -0.006 0.000 0.650 338 G HN 1.874 nan 8.290 nan 0.000 0.529 339 V N -3.878 116.009 119.914 -0.045 0.000 2.760 339 V HA 0.996 5.115 4.120 -0.001 0.000 0.309 339 V C 0.735 176.785 176.094 -0.073 0.000 1.077 339 V CA 0.568 62.840 62.300 -0.046 0.000 0.910 339 V CB 1.358 33.167 31.823 -0.024 0.000 1.008 339 V HN 2.115 nan 8.190 nan 0.000 0.424 340 G N 4.630 113.390 108.800 -0.066 0.000 1.829 340 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.214 340 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.214 340 G C 0.640 175.454 174.900 -0.143 0.000 1.627 340 G CA 0.273 45.324 45.100 -0.082 0.000 1.390 340 G HN 0.798 nan 8.290 nan 0.000 0.458 341 R N 0.134 120.437 120.500 -0.328 0.000 2.070 341 R HA 0.095 4.435 4.340 -0.001 0.000 0.233 341 R C 2.849 178.979 176.300 -0.283 0.000 1.137 341 R CA 2.195 57.960 56.100 -0.559 0.000 0.945 341 R CB -0.920 28.748 30.300 -1.053 0.000 0.845 341 R HN 0.492 nan 8.270 nan 0.000 0.430 342 T N -0.393 114.016 114.554 -0.242 0.000 2.737 342 T HA -0.160 4.189 4.350 -0.001 0.000 0.269 342 T C 1.813 176.485 174.700 -0.047 0.000 1.040 342 T CA 1.717 63.730 62.100 -0.146 0.000 1.142 342 T CB -0.450 68.339 68.868 -0.131 0.000 0.861 342 T HN 0.531 nan 8.240 nan 0.000 0.456 343 G N 0.075 108.850 108.800 -0.042 0.000 2.404 343 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.214 343 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.214 343 G C 1.831 176.757 174.900 0.044 0.000 1.189 343 G CA 1.662 46.761 45.100 -0.001 0.000 0.789 343 G HN 0.618 nan 8.290 nan 0.000 0.533 344 T N -1.043 113.552 114.554 0.069 0.000 2.759 344 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 344 T C 2.107 176.878 174.700 0.118 0.000 1.042 344 T CA 1.578 63.753 62.100 0.124 0.000 1.140 344 T CB -0.394 68.605 68.868 0.217 0.000 0.864 344 T HN 0.175 nan 8.240 nan 0.000 0.455 345 F N 1.517 121.445 119.950 -0.036 0.000 2.075 345 F HA 0.124 4.650 4.527 -0.001 0.000 0.297 345 F C 2.062 177.765 175.800 -0.161 0.000 1.113 345 F CA 1.172 59.132 58.000 -0.066 0.000 1.218 345 F CB -0.320 38.625 39.000 -0.092 0.000 0.984 345 F HN 0.130 nan 8.300 nan 0.000 0.472 346 I N -0.425 120.081 120.570 -0.105 0.000 2.208 346 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 346 I C 2.255 178.265 176.117 -0.178 0.000 1.097 346 I CA 1.236 62.293 61.300 -0.405 0.000 1.363 346 I CB -0.586 37.170 38.000 -0.406 0.000 1.051 346 I HN 0.030 nan 8.210 nan 0.000 0.413 347 V N 1.024 120.927 119.914 -0.019 0.000 2.295 347 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 347 V C 2.307 178.272 176.094 -0.216 0.000 1.049 347 V CA 1.895 64.201 62.300 0.011 0.000 1.024 347 V CB -0.427 31.450 31.823 0.090 0.000 0.648 347 V HN 0.338 nan 8.190 nan 0.000 0.447 348 I N 0.783 121.217 120.570 -0.227 0.000 2.208 348 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 348 I C 2.620 178.523 176.117 -0.357 0.000 1.097 348 I CA 1.943 63.070 61.300 -0.288 0.000 1.363 348 I CB -0.941 36.911 38.000 -0.247 0.000 1.051 348 I HN 0.530 nan 8.210 nan 0.000 0.413 349 D N 0.878 121.039 120.400 -0.399 0.000 2.078 349 D HA -0.114 4.525 4.640 -0.001 0.000 0.193 349 D C 2.315 178.466 176.300 -0.249 0.000 0.990 349 D CA 1.568 55.379 54.000 -0.316 0.000 0.827 349 D CB -0.648 40.024 40.800 -0.212 0.000 0.975 349 D HN 0.432 nan 8.370 nan 0.000 0.451 350 A N -0.160 122.502 122.820 -0.264 0.000 1.892 350 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 350 A C 2.310 179.614 177.584 -0.467 0.000 1.188 350 A CA 2.679 54.482 52.037 -0.390 0.000 0.631 350 A CB -0.479 17.920 19.000 -1.003 0.000 0.822 350 A HN 0.462 nan 8.150 nan 0.000 0.447 351 M N -1.408 117.909 119.600 -0.472 0.000 2.319 351 M HA 0.042 4.521 4.480 -0.001 0.000 0.265 351 M C 2.228 178.333 176.300 -0.325 0.000 1.068 351 M CA 1.136 56.193 55.300 -0.404 0.000 1.118 351 M CB -1.163 31.223 32.600 -0.357 0.000 1.395 351 M HN 0.465 nan 8.290 nan 0.000 0.435 352 M N -0.238 119.175 119.600 -0.310 0.000 2.117 352 M HA -0.162 4.318 4.480 -0.001 0.000 0.262 352 M C 2.353 178.563 176.300 -0.150 0.000 1.065 352 M CA 1.815 56.963 55.300 -0.253 0.000 1.114 352 M CB -0.563 31.759 32.600 -0.463 0.000 1.361 352 M HN 0.301 nan 8.290 nan 0.000 0.408 353 A N 0.164 122.838 122.820 -0.243 0.000 1.883 353 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 353 A C 2.200 179.439 177.584 -0.575 0.000 1.186 353 A CA 2.043 53.912 52.037 -0.280 0.000 0.624 353 A CB -0.781 18.096 19.000 -0.206 0.000 0.822 353 A HN 0.558 nan 8.150 nan 0.000 0.444 354 M N -1.205 117.857 119.600 -0.896 0.000 2.117 354 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 354 M C 2.240 178.311 176.300 -0.383 0.000 1.065 354 M CA 1.829 56.560 55.300 -0.947 0.000 1.114 354 M CB -0.238 31.968 32.600 -0.657 0.000 1.361 354 M HN 0.494 nan 8.290 nan 0.000 0.408 355 M N -1.350 118.106 119.600 -0.240 0.000 2.065 355 M HA -0.267 4.212 4.480 -0.001 0.000 0.259 355 M C 1.833 178.077 176.300 -0.093 0.000 1.069 355 M CA 1.841 57.061 55.300 -0.134 0.000 1.110 355 M CB -0.944 31.619 32.600 -0.060 0.000 1.328 355 M HN 0.335 nan 8.290 nan 0.000 0.405 356 H N -0.752 118.280 119.070 -0.062 0.000 2.567 356 H HA 0.024 4.580 4.556 -0.001 0.000 0.276 356 H C 1.478 176.788 175.328 -0.030 0.000 1.016 356 H CA 0.839 56.878 56.048 -0.015 0.000 1.186 356 H CB 0.265 30.038 29.762 0.019 0.000 1.351 356 H HN 0.405 nan 8.280 nan 0.000 0.605 357 A N -0.476 122.363 122.820 0.031 0.000 1.989 357 A HA 0.206 4.525 4.320 -0.001 0.000 0.201 357 A C 2.021 179.630 177.584 0.042 0.000 1.720 357 A CA 0.540 52.612 52.037 0.058 0.000 0.956 357 A CB -0.437 18.628 19.000 0.107 0.000 1.094 357 A HN 0.389 nan 8.150 nan 0.000 0.561 358 E N -1.938 118.263 120.200 0.001 0.000 2.385 358 E HA 0.303 4.652 4.350 -0.001 0.000 0.194 358 E C 1.293 177.889 176.600 -0.007 0.000 1.013 358 E CA 2.033 58.449 56.400 0.025 0.000 0.866 358 E CB -1.045 28.685 29.700 0.050 0.000 0.832 358 E HN 1.894 nan 8.360 nan 0.000 0.500 359 Q N -2.938 116.836 119.800 -0.044 0.000 2.452 359 Q HA -0.086 4.253 4.340 -0.001 0.000 0.248 359 Q C 0.864 176.814 176.000 -0.082 0.000 0.874 359 Q CA 2.762 58.525 55.803 -0.067 0.000 1.208 359 Q CB -3.016 25.698 28.738 -0.041 0.000 1.569 359 Q HN 1.856 nan 8.270 nan 0.000 0.579 360 K N -1.479 118.880 120.400 -0.067 0.000 2.261 360 K HA 1.042 5.361 4.320 -0.001 0.000 0.242 360 K C -0.186 176.371 176.600 -0.072 0.000 1.083 360 K CA -0.021 56.236 56.287 -0.050 0.000 0.880 360 K CB 1.724 34.233 32.500 0.014 0.000 1.353 360 K HN 1.676 nan 8.250 nan 0.000 0.486 361 V N 0.573 120.466 119.914 -0.036 0.000 2.969 361 V HA 0.593 4.712 4.120 -0.001 0.000 0.304 361 V C -2.114 173.993 176.094 0.023 0.000 1.192 361 V CA -0.451 61.813 62.300 -0.060 0.000 0.962 361 V CB 2.247 34.000 31.823 -0.117 0.000 1.045 361 V HN 0.987 nan 8.190 nan 0.000 0.428 362 D N 4.127 124.541 120.400 0.023 0.000 2.429 362 D HA 0.282 4.922 4.640 -0.001 0.000 0.255 362 D C 0.592 176.973 176.300 0.135 0.000 1.257 362 D CA -0.047 54.034 54.000 0.135 0.000 0.890 362 D CB 1.762 42.673 40.800 0.185 0.000 1.267 362 D HN 0.297 nan 8.370 nan 0.000 0.521 363 V N 2.582 122.529 119.914 0.054 0.000 2.626 363 V HA -0.133 3.987 4.120 -0.001 0.000 0.252 363 V C 2.062 178.309 176.094 0.255 0.000 1.067 363 V CA 1.051 63.338 62.300 -0.020 0.000 1.081 363 V CB -0.643 30.875 31.823 -0.510 0.000 0.686 363 V HN 0.454 nan 8.190 nan 0.000 0.468 364 F N 2.064 122.167 119.950 0.255 0.000 2.128 364 F HA -0.086 4.441 4.527 -0.001 0.000 0.295 364 F C 2.519 178.428 175.800 0.181 0.000 1.100 364 F CA 2.014 60.170 58.000 0.259 0.000 1.260 364 F CB -0.433 38.676 39.000 0.182 0.000 1.009 364 F HN 0.207 nan 8.300 nan 0.000 0.476 365 E N 0.035 120.448 120.200 0.356 0.000 2.152 365 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 365 E C 1.861 178.541 176.600 0.133 0.000 0.983 365 E CA 1.295 57.830 56.400 0.224 0.000 0.818 365 E CB -1.531 28.320 29.700 0.252 0.000 0.758 365 E HN 0.547 nan 8.360 nan 0.000 0.467 366 F N 0.778 120.753 119.950 0.042 0.000 2.098 366 F HA -0.075 4.452 4.527 -0.001 0.000 0.294 366 F C 2.459 178.248 175.800 -0.018 0.000 1.107 366 F CA 1.581 59.594 58.000 0.023 0.000 1.234 366 F CB -0.259 38.760 39.000 0.033 0.000 1.002 366 F HN 0.081 nan 8.300 nan 0.000 0.472 367 V N 0.376 120.315 119.914 0.042 0.000 2.324 367 V HA -0.347 3.772 4.120 -0.001 0.000 0.250 367 V C 2.904 178.868 176.094 -0.217 0.000 1.060 367 V CA 2.184 64.435 62.300 -0.082 0.000 1.042 367 V CB -1.799 30.049 31.823 0.043 0.000 0.650 367 V HN 0.582 nan 8.190 nan 0.000 0.450 368 S N 0.175 115.717 115.700 -0.263 0.000 2.370 368 S HA -0.296 4.174 4.470 -0.001 0.000 0.226 368 S C 2.300 176.781 174.600 -0.200 0.000 1.033 368 S CA 2.802 60.847 58.200 -0.257 0.000 1.011 368 S CB -0.589 62.463 63.200 -0.247 0.000 0.852 368 S HN 0.579 nan 8.310 nan 0.000 0.457 369 R N 1.414 121.784 120.500 -0.217 0.000 2.070 369 R HA 0.137 4.476 4.340 -0.001 0.000 0.233 369 R C 2.341 178.473 176.300 -0.280 0.000 1.137 369 R CA 1.645 57.607 56.100 -0.230 0.000 0.945 369 R CB -1.767 28.390 30.300 -0.239 0.000 0.845 369 R HN 1.121 nan 8.270 nan 0.000 0.430 370 I N -1.734 118.580 120.570 -0.427 0.000 2.614 370 I HA -0.080 4.090 4.170 -0.001 0.000 0.258 370 I C 2.212 178.213 176.117 -0.193 0.000 1.189 370 I CA 1.299 62.396 61.300 -0.339 0.000 1.462 370 I CB -0.182 37.566 38.000 -0.420 0.000 1.092 370 I HN 0.178 nan 8.210 nan 0.000 0.442 371 R N 1.261 121.649 120.500 -0.186 0.000 2.148 371 R HA -0.012 4.327 4.340 -0.001 0.000 0.223 371 R C 1.318 177.545 176.300 -0.121 0.000 1.088 371 R CA 1.056 57.070 56.100 -0.144 0.000 0.985 371 R CB -0.379 29.826 30.300 -0.158 0.000 0.880 371 R HN 0.465 nan 8.270 nan 0.000 0.451 372 N N 0.758 119.386 118.700 -0.119 0.000 2.571 372 N HA -0.081 4.658 4.740 -0.001 0.000 0.189 372 N C 1.022 176.488 175.510 -0.075 0.000 1.154 372 N CA 0.780 53.774 53.050 -0.094 0.000 0.907 372 N CB 0.232 38.662 38.487 -0.095 0.000 0.977 372 N HN 0.413 nan 8.380 nan 0.000 0.449 373 Q N -0.558 119.203 119.800 -0.066 0.000 2.423 373 Q HA 0.220 4.559 4.340 -0.001 0.000 0.231 373 Q C 0.354 176.338 176.000 -0.028 0.000 0.894 373 Q CA 0.224 56.013 55.803 -0.023 0.000 0.938 373 Q CB 1.232 29.969 28.738 -0.002 0.000 1.079 373 Q HN 0.069 nan 8.270 nan 0.000 0.552 374 R N 1.354 121.828 120.500 -0.043 0.000 2.585 374 R HA 0.248 4.588 4.340 -0.001 0.000 0.288 374 R C -2.986 173.290 176.300 -0.040 0.000 1.194 374 R CA -1.629 54.459 56.100 -0.022 0.000 1.006 374 R CB 1.650 31.943 30.300 -0.012 0.000 1.229 374 R HN -0.098 nan 8.270 nan 0.000 0.412 375 P HA 0.019 nan 4.420 nan 0.000 0.272 375 P C -0.674 176.567 177.300 -0.098 0.000 1.240 375 P CA 0.331 63.341 63.100 -0.151 0.000 0.791 375 P CB 0.689 32.153 31.700 -0.394 0.000 0.978 376 Q N -1.381 118.350 119.800 -0.115 0.000 2.494 376 Q HA -0.192 4.147 4.340 -0.001 0.000 0.272 376 Q C 1.032 177.023 176.000 -0.016 0.000 1.145 376 Q CA 0.519 56.294 55.803 -0.047 0.000 0.943 376 Q CB -2.035 26.701 28.738 -0.002 0.000 1.338 376 Q HN 0.447 nan 8.270 nan 0.000 0.492 377 M N -0.555 119.025 119.600 -0.033 0.000 2.080 377 M HA -0.056 4.423 4.480 -0.001 0.000 0.260 377 M C 0.948 177.265 176.300 0.029 0.000 1.068 377 M CA 1.341 56.631 55.300 -0.017 0.000 1.109 377 M CB -0.105 32.468 32.600 -0.046 0.000 1.342 377 M HN 0.127 nan 8.290 nan 0.000 0.405 378 V N -0.051 119.918 119.914 0.093 0.000 2.617 378 V HA 0.122 4.241 4.120 -0.001 0.000 0.298 378 V C 1.029 177.252 176.094 0.214 0.000 1.048 378 V CA -0.388 62.011 62.300 0.165 0.000 0.964 378 V CB 1.805 33.793 31.823 0.275 0.000 1.004 378 V HN 0.358 nan 8.190 nan 0.000 0.466 379 Q N 1.022 120.918 119.800 0.160 0.000 2.387 379 Q HA 0.132 4.471 4.340 -0.001 0.000 0.212 379 Q C 0.484 176.612 176.000 0.214 0.000 0.925 379 Q CA 0.717 56.617 55.803 0.161 0.000 0.901 379 Q CB 0.971 29.737 28.738 0.047 0.000 1.020 379 Q HN 0.934 nan 8.270 nan 0.000 0.545 380 T N -3.719 110.846 114.554 0.017 0.000 2.887 380 T HA 0.386 4.736 4.350 -0.001 0.000 0.288 380 T C 0.547 174.849 174.700 -0.663 0.000 1.021 380 T CA -0.003 61.992 62.100 -0.176 0.000 1.000 380 T CB 1.505 70.346 68.868 -0.046 0.000 1.034 380 T HN 0.159 nan 8.240 nan 0.000 0.467 381 D N 1.506 121.383 120.400 -0.872 0.000 2.158 381 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 381 D C 1.940 178.053 176.300 -0.312 0.000 0.995 381 D CA 1.690 55.207 54.000 -0.805 0.000 0.846 381 D CB -0.619 39.977 40.800 -0.340 0.000 0.941 381 D HN 0.721 nan 8.370 nan 0.000 0.456 382 M N -0.492 119.003 119.600 -0.174 0.000 2.080 382 M HA -0.211 4.268 4.480 -0.001 0.000 0.260 382 M C 2.715 179.002 176.300 -0.023 0.000 1.068 382 M CA 1.734 56.997 55.300 -0.063 0.000 1.109 382 M CB -0.430 32.157 32.600 -0.022 0.000 1.342 382 M HN 0.371 nan 8.290 nan 0.000 0.405 383 Q N -1.168 118.616 119.800 -0.026 0.000 2.124 383 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 383 Q C 1.867 177.918 176.000 0.084 0.000 0.977 383 Q CA 1.600 57.441 55.803 0.063 0.000 0.850 383 Q CB -0.269 28.516 28.738 0.080 0.000 0.901 383 Q HN 0.482 nan 8.270 nan 0.000 0.429 384 Y N 1.264 121.463 120.300 -0.169 0.000 2.114 384 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 384 Y C 2.722 178.548 175.900 -0.123 0.000 1.143 384 Y CA 2.007 60.037 58.100 -0.115 0.000 1.135 384 Y CB -0.513 37.829 38.460 -0.196 0.000 0.980 384 Y HN 0.221 nan 8.280 nan 0.000 0.499 385 T N -2.119 112.300 114.554 -0.225 0.000 2.962 385 T HA -0.216 4.133 4.350 -0.001 0.000 0.270 385 T C 1.821 176.413 174.700 -0.179 0.000 1.088 385 T CA 1.075 62.873 62.100 -0.503 0.000 1.127 385 T CB -1.106 67.432 68.868 -0.550 0.000 0.883 385 T HN 0.371 nan 8.240 nan 0.000 0.493 386 F N 1.750 121.589 119.950 -0.185 0.000 2.171 386 F HA 0.139 4.666 4.527 -0.001 0.000 0.300 386 F C 1.893 177.609 175.800 -0.140 0.000 1.090 386 F CA 0.718 58.633 58.000 -0.141 0.000 1.293 386 F CB -0.297 38.620 39.000 -0.138 0.000 1.013 386 F HN 0.111 nan 8.300 nan 0.000 0.486 387 I N -0.969 119.566 120.570 -0.059 0.000 2.163 387 I HA -0.372 3.797 4.170 -0.001 0.000 0.243 387 I C 2.031 177.953 176.117 -0.325 0.000 1.085 387 I CA 1.582 62.752 61.300 -0.216 0.000 1.347 387 I CB -0.693 37.124 38.000 -0.304 0.000 1.044 387 I HN 0.128 nan 8.210 nan 0.000 0.408 388 Y N 0.976 121.088 120.300 -0.314 0.000 2.163 388 Y HA -0.254 4.295 4.550 -0.001 0.000 0.288 388 Y C 2.802 178.599 175.900 -0.171 0.000 1.136 388 Y CA 1.512 59.490 58.100 -0.203 0.000 1.147 388 Y CB -0.462 37.911 38.460 -0.145 0.000 0.987 388 Y HN 0.162 nan 8.280 nan 0.000 0.509 389 Q N -0.493 119.257 119.800 -0.083 0.000 2.061 389 Q HA -0.242 4.097 4.340 -0.001 0.000 0.204 389 Q C 2.564 178.429 176.000 -0.224 0.000 0.984 389 Q CA 1.556 57.274 55.803 -0.142 0.000 0.846 389 Q CB -0.429 28.176 28.738 -0.222 0.000 0.902 389 Q HN 0.532 nan 8.270 nan 0.000 0.421 390 A N 0.833 123.386 122.820 -0.444 0.000 1.877 390 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 390 A C 2.086 179.589 177.584 -0.134 0.000 1.186 390 A CA 1.204 53.021 52.037 -0.367 0.000 0.620 390 A CB -0.767 17.928 19.000 -0.508 0.000 0.822 390 A HN 0.304 nan 8.150 nan 0.000 0.443 391 L N -1.181 119.958 121.223 -0.139 0.000 2.042 391 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 391 L C 2.585 179.495 176.870 0.066 0.000 1.076 391 L CA 1.299 56.114 54.840 -0.042 0.000 0.749 391 L CB -0.490 41.486 42.059 -0.139 0.000 0.893 391 L HN 0.491 nan 8.230 nan 0.000 0.432 392 L N 0.197 121.449 121.223 0.048 0.000 2.005 392 L HA -0.217 4.122 4.340 -0.001 0.000 0.207 392 L C 2.466 179.380 176.870 0.073 0.000 1.072 392 L CA 1.889 56.779 54.840 0.085 0.000 0.744 392 L CB -0.558 41.546 42.059 0.075 0.000 0.895 392 L HN 0.189 nan 8.230 nan 0.000 0.433 393 E N -1.083 119.158 120.200 0.069 0.000 2.086 393 E HA -0.362 3.987 4.350 -0.001 0.000 0.200 393 E C 2.169 178.868 176.600 0.164 0.000 1.012 393 E CA 2.053 58.536 56.400 0.138 0.000 0.812 393 E CB -0.667 29.115 29.700 0.137 0.000 0.743 393 E HN 0.624 nan 8.360 nan 0.000 0.453 394 Y N -0.699 119.625 120.300 0.040 0.000 2.509 394 Y HA -0.116 4.434 4.550 -0.001 0.000 0.293 394 Y C 1.658 177.590 175.900 0.054 0.000 1.133 394 Y CA 1.325 59.454 58.100 0.048 0.000 1.283 394 Y CB -0.191 38.275 38.460 0.011 0.000 1.001 394 Y HN 0.265 nan 8.280 nan 0.000 0.555 395 Y N -0.611 119.580 120.300 -0.181 0.000 2.222 395 Y HA -0.024 4.525 4.550 -0.001 0.000 0.290 395 Y C 2.025 177.744 175.900 -0.302 0.000 1.123 395 Y CA 1.359 59.289 58.100 -0.283 0.000 1.120 395 Y CB -0.699 37.659 38.460 -0.170 0.000 1.060 395 Y HN -0.018 nan 8.280 nan 0.000 0.508 396 L N -0.647 120.305 121.223 -0.452 0.000 1.990 396 L HA -0.295 4.044 4.340 -0.001 0.000 0.213 396 L C 2.011 178.465 176.870 -0.694 0.000 1.072 396 L CA 2.285 56.680 54.840 -0.742 0.000 0.755 396 L CB -0.849 40.651 42.059 -0.932 0.000 0.889 396 L HN 0.367 nan 8.230 nan 0.000 0.432 397 Y N -1.694 118.541 120.300 -0.107 0.000 2.559 397 Y HA 0.190 4.739 4.550 -0.001 0.000 0.279 397 Y C 2.239 178.079 175.900 -0.100 0.000 1.117 397 Y CA 0.039 58.114 58.100 -0.041 0.000 1.263 397 Y CB -0.555 38.047 38.460 0.237 0.000 1.230 397 Y HN 0.215 nan 8.280 nan 0.000 0.528 398 G N 1.596 110.380 108.800 -0.027 0.000 2.787 398 G HA2 -0.517 3.443 3.960 -0.001 0.000 0.374 398 G HA3 -0.517 3.443 3.960 -0.001 0.000 0.374 398 G C 0.471 175.348 174.900 -0.038 0.000 1.003 398 G CA 1.214 46.188 45.100 -0.211 0.000 0.833 398 G HN 0.510 nan 8.290 nan 0.000 0.824 399 D N 0.184 120.527 120.400 -0.096 0.000 2.435 399 D HA 0.524 5.163 4.640 -0.001 0.000 0.230 399 D C 1.363 177.669 176.300 0.009 0.000 1.215 399 D CA 1.004 55.004 54.000 0.000 0.000 0.947 399 D CB -0.487 40.309 40.800 -0.006 0.000 1.048 399 D HN 1.098 nan 8.370 nan 0.000 0.512 400 T N -3.499 111.101 114.554 0.077 0.000 3.058 400 T HA 0.472 4.822 4.350 -0.001 0.000 0.278 400 T C 0.939 175.724 174.700 0.143 0.000 0.974 400 T CA 0.735 62.894 62.100 0.099 0.000 0.893 400 T CB 0.005 68.960 68.868 0.145 0.000 1.138 400 T HN 0.746 nan 8.240 nan 0.000 0.529 401 E N 0.572 120.852 120.200 0.133 0.000 2.390 401 E HA 0.744 5.093 4.350 -0.001 0.000 0.261 401 E C -0.211 176.446 176.600 0.094 0.000 1.076 401 E CA -0.024 56.446 56.400 0.117 0.000 0.905 401 E CB 0.283 30.054 29.700 0.118 0.000 0.984 401 E HN 1.375 nan 8.360 nan 0.000 0.427 402 L N -0.818 120.454 121.223 0.082 0.000 2.465 402 L HA 0.850 5.189 4.340 -0.001 0.000 0.257 402 L C -0.054 176.849 176.870 0.056 0.000 0.988 402 L CA -0.468 54.414 54.840 0.069 0.000 0.827 402 L CB 1.037 43.143 42.059 0.079 0.000 1.397 402 L HN 1.176 nan 8.230 nan 0.000 0.410 403 D N -0.169 120.260 120.400 0.047 0.000 2.225 403 D HA 0.727 5.367 4.640 -0.001 0.000 0.249 403 D C 1.359 177.680 176.300 0.036 0.000 1.052 403 D CA 0.319 54.343 54.000 0.040 0.000 0.909 403 D CB 1.765 42.586 40.800 0.035 0.000 1.186 403 D HN 2.257 nan 8.370 nan 0.000 0.431 404 V N 0.291 120.225 119.914 0.032 0.000 2.688 404 V HA 0.089 4.209 4.120 -0.001 0.000 0.256 404 V C 2.822 178.932 176.094 0.027 0.000 1.084 404 V CA 3.377 65.696 62.300 0.031 0.000 1.103 404 V CB -1.343 30.499 31.823 0.031 0.000 0.688 404 V HN 0.954 nan 8.190 nan 0.000 0.480 405 S N 0.534 116.249 115.700 0.024 0.000 2.353 405 S HA 0.082 4.551 4.470 -0.001 0.000 0.222 405 S C 1.791 176.404 174.600 0.021 0.000 1.035 405 S CA 1.835 60.047 58.200 0.020 0.000 1.025 405 S CB -0.781 62.430 63.200 0.019 0.000 0.902 405 S HN 1.444 nan 8.310 nan 0.000 0.440 426 L N 2.285 123.508 121.223 -0.001 0.000 2.270 426 L HA 0.342 4.681 4.340 -0.001 0.000 0.210 426 L C 3.108 180.088 176.870 0.183 0.000 1.104 426 L CA 2.237 57.148 54.840 0.120 0.000 0.804 426 L CB -0.636 41.475 42.059 0.087 0.000 0.937 426 L HN 0.489 nan 8.230 nan 0.000 0.450 427 E N 0.807 121.069 120.200 0.104 0.000 2.038 427 E HA -0.287 4.062 4.350 -0.001 0.000 0.195 427 E C 2.225 178.896 176.600 0.119 0.000 1.000 427 E CA 2.006 58.471 56.400 0.109 0.000 0.803 427 E CB -1.238 28.500 29.700 0.062 0.000 0.750 427 E HN 0.609 nan 8.360 nan 0.000 0.448 428 E N 0.991 121.231 120.200 0.067 0.000 2.058 428 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 428 E C 2.014 178.635 176.600 0.034 0.000 0.997 428 E CA 1.600 58.022 56.400 0.037 0.000 0.801 428 E CB -0.711 28.989 29.700 -0.001 0.000 0.746 428 E HN 0.812 nan 8.360 nan 0.000 0.450 429 E N -1.180 119.050 120.200 0.050 0.000 2.023 429 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 429 E C 1.996 178.637 176.600 0.067 0.000 1.003 429 E CA 1.268 57.695 56.400 0.044 0.000 0.809 429 E CB -0.321 29.511 29.700 0.220 0.000 0.755 429 E HN 0.578 nan 8.360 nan 0.000 0.449 430 F N 1.288 121.132 119.950 -0.177 0.000 2.250 430 F HA -0.251 4.275 4.527 -0.001 0.000 0.301 430 F C 2.621 178.365 175.800 -0.094 0.000 1.077 430 F CA 2.034 59.849 58.000 -0.309 0.000 1.348 430 F CB -0.263 38.562 39.000 -0.292 0.000 1.040 430 F HN -0.102 nan 8.300 nan 0.000 0.509 431 R N 0.666 121.203 120.500 0.062 0.000 2.120 431 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 431 R C 2.105 178.390 176.300 -0.024 0.000 1.123 431 R CA 1.893 58.005 56.100 0.019 0.000 0.975 431 R CB -1.286 29.051 30.300 0.061 0.000 0.866 431 R HN 0.444 nan 8.270 nan 0.000 0.446 432 K N 0.244 120.661 120.400 0.029 0.000 2.103 432 K HA 0.118 4.438 4.320 -0.001 0.000 0.204 432 K C 2.221 178.861 176.600 0.067 0.000 1.052 432 K CA 1.240 57.605 56.287 0.129 0.000 0.945 432 K CB -0.153 32.502 32.500 0.259 0.000 0.722 432 K HN 0.312 nan 8.250 nan 0.000 0.443 433 L N 0.760 121.938 121.223 -0.074 0.000 2.083 433 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 433 L C 2.339 179.033 176.870 -0.293 0.000 1.083 433 L CA 1.151 55.823 54.840 -0.281 0.000 0.752 433 L CB -0.866 40.904 42.059 -0.483 0.000 0.899 433 L HN 0.206 nan 8.230 nan 0.000 0.433 434 T N 0.009 114.358 114.554 -0.341 0.000 2.665 434 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 434 T C 1.449 176.092 174.700 -0.094 0.000 1.035 434 T CA 1.791 63.763 62.100 -0.213 0.000 1.151 434 T CB -0.294 68.483 68.868 -0.151 0.000 0.862 434 T HN 0.315 nan 8.240 nan 0.000 0.438 435 N N 1.026 119.698 118.700 -0.047 0.000 2.461 435 N HA 0.149 4.888 4.740 -0.001 0.000 0.188 435 N C 0.290 175.816 175.510 0.027 0.000 1.134 435 N CA 0.054 53.110 53.050 0.009 0.000 0.878 435 N CB -0.623 37.890 38.487 0.044 0.000 0.972 435 N HN 0.459 nan 8.380 nan 0.000 0.456 436 V N 0.638 120.545 119.914 -0.011 0.000 2.446 436 V HA 0.484 4.604 4.120 -0.001 0.000 0.276 436 V C 1.100 177.186 176.094 -0.013 0.000 1.030 436 V CA -0.415 61.877 62.300 -0.012 0.000 1.033 436 V CB -0.990 30.784 31.823 -0.082 0.000 0.993 436 V HN 0.354 nan 8.190 nan 0.000 0.477 437 R N 5.454 125.963 120.500 0.013 0.000 2.537 437 R HA 0.552 4.891 4.340 -0.001 0.000 0.280 437 R C -0.008 176.309 176.300 0.029 0.000 1.058 437 R CA -0.154 55.957 56.100 0.019 0.000 1.057 437 R CB -0.186 30.131 30.300 0.028 0.000 0.973 437 R HN 0.871 nan 8.270 nan 0.000 0.438 438 I N 2.164 122.760 120.570 0.043 0.000 2.471 438 I HA 0.164 4.333 4.170 -0.001 0.000 0.286 438 I C 1.613 177.826 176.117 0.161 0.000 1.079 438 I CA 0.144 61.516 61.300 0.121 0.000 1.398 438 I CB 1.412 39.446 38.000 0.057 0.000 1.403 438 I HN 0.847 nan 8.210 nan 0.000 0.530 439 M N 5.844 125.581 119.600 0.228 0.000 3.593 439 M HA 0.172 4.652 4.480 -0.001 0.000 0.204 439 M C 1.371 177.818 176.300 0.246 0.000 1.569 439 M CA 0.594 55.962 55.300 0.114 0.000 1.694 439 M CB -1.608 30.855 32.600 -0.229 0.000 1.149 439 M HN 0.862 nan 8.290 nan 0.000 0.552 440 K N 0.230 120.731 120.400 0.168 0.000 2.103 440 K HA 0.019 4.338 4.320 -0.001 0.000 0.207 440 K C 2.050 178.720 176.600 0.116 0.000 1.048 440 K CA 2.400 58.769 56.287 0.137 0.000 0.930 440 K CB -1.484 31.070 32.500 0.090 0.000 0.716 440 K HN 1.133 nan 8.250 nan 0.000 0.444 441 E N 0.142 120.400 120.200 0.096 0.000 2.077 441 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 441 E C 1.964 178.626 176.600 0.104 0.000 0.989 441 E CA 1.531 57.980 56.400 0.082 0.000 0.800 441 E CB -1.614 28.123 29.700 0.062 0.000 0.746 441 E HN 0.938 nan 8.360 nan 0.000 0.452 442 N N -0.246 118.533 118.700 0.132 0.000 2.413 442 N HA 0.362 5.101 4.740 -0.001 0.000 0.207 442 N C 1.085 176.749 175.510 0.257 0.000 1.206 442 N CA 0.671 53.824 53.050 0.172 0.000 0.832 442 N CB -0.470 38.103 38.487 0.143 0.000 1.037 442 N HN 0.457 nan 8.380 nan 0.000 0.467 443 M N -0.037 119.687 119.600 0.207 0.000 2.869 443 M HA 0.195 4.674 4.480 -0.001 0.000 0.353 443 M C 2.191 178.540 176.300 0.081 0.000 1.224 443 M CA -0.174 55.219 55.300 0.154 0.000 0.917 443 M CB 0.818 33.486 32.600 0.113 0.000 1.322 443 M HN 0.500 nan 8.290 nan 0.000 0.516 444 R N 0.538 121.087 120.500 0.082 0.000 2.075 444 R HA -0.044 4.296 4.340 -0.001 0.000 0.230 444 R C 2.130 178.440 176.300 0.017 0.000 1.140 444 R CA 2.500 58.629 56.100 0.049 0.000 0.928 444 R CB -2.085 28.251 30.300 0.059 0.000 0.834 444 R HN 0.570 nan 8.270 nan 0.000 0.429 445 T N -0.108 114.470 114.554 0.039 0.000 2.680 445 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 445 T C 2.412 177.011 174.700 -0.168 0.000 1.033 445 T CA 2.494 64.602 62.100 0.014 0.000 1.152 445 T CB -0.979 67.956 68.868 0.112 0.000 0.859 445 T HN 0.718 nan 8.240 nan 0.000 0.452 446 G N -0.053 108.658 108.800 -0.147 0.000 2.598 446 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.215 446 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.215 446 G C 1.586 176.303 174.900 -0.304 0.000 1.131 446 G CA 0.787 45.664 45.100 -0.372 0.000 0.785 446 G HN 0.733 nan 8.290 nan 0.000 0.539 447 N N -0.328 118.269 118.700 -0.172 0.000 2.294 447 N HA 0.095 4.835 4.740 -0.001 0.000 0.186 447 N C 1.191 176.625 175.510 -0.127 0.000 1.107 447 N CA 0.063 53.040 53.050 -0.120 0.000 0.884 447 N CB 0.379 38.834 38.487 -0.054 0.000 1.030 447 N HN 0.293 nan 8.380 nan 0.000 0.482 448 L N 2.245 123.388 121.223 -0.133 0.000 2.615 448 L HA 0.053 4.392 4.340 -0.001 0.000 0.284 448 L C -0.999 175.746 176.870 -0.208 0.000 1.237 448 L CA -0.427 54.342 54.840 -0.117 0.000 0.905 448 L CB -1.195 40.840 42.059 -0.039 0.000 1.149 448 L HN -0.047 nan 8.230 nan 0.000 0.499 449 P HA -0.247 nan 4.420 nan 0.000 0.217 449 P C 1.886 179.030 177.300 -0.261 0.000 1.151 449 P CA 2.392 65.373 63.100 -0.197 0.000 0.849 449 P CB 0.179 31.780 31.700 -0.166 0.000 0.787 450 A N -0.317 122.242 122.820 -0.435 0.000 1.908 450 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 450 A C 2.026 179.455 177.584 -0.257 0.000 1.181 450 A CA 1.918 53.694 52.037 -0.434 0.000 0.627 450 A CB -1.288 17.201 19.000 -0.852 0.000 0.818 450 A HN 0.173 nan 8.150 nan 0.000 0.445 451 N N -1.043 117.480 118.700 -0.295 0.000 2.467 451 N HA -0.011 4.728 4.740 -0.001 0.000 0.184 451 N C 1.834 177.212 175.510 -0.218 0.000 1.106 451 N CA 1.361 54.234 53.050 -0.295 0.000 0.892 451 N CB -0.347 37.702 38.487 -0.731 0.000 0.969 451 N HN 0.573 nan 8.380 nan 0.000 0.454 452 M N 1.337 120.832 119.600 -0.175 0.000 2.086 452 M HA -0.090 4.389 4.480 -0.001 0.000 0.261 452 M C 2.602 178.884 176.300 -0.029 0.000 1.067 452 M CA 2.493 57.733 55.300 -0.099 0.000 1.116 452 M CB -1.961 30.582 32.600 -0.095 0.000 1.348 452 M HN 0.376 nan 8.290 nan 0.000 0.407 453 K N 1.044 121.431 120.400 -0.021 0.000 2.211 453 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 453 K C 1.887 178.589 176.600 0.169 0.000 1.047 453 K CA 2.005 58.314 56.287 0.038 0.000 0.935 453 K CB -1.106 31.383 32.500 -0.018 0.000 0.728 453 K HN 0.861 nan 8.250 nan 0.000 0.452 454 K N -0.222 120.267 120.400 0.150 0.000 2.444 454 K HA 0.298 4.618 4.320 -0.001 0.000 0.193 454 K C 0.388 177.058 176.600 0.118 0.000 1.024 454 K CA 0.265 56.658 56.287 0.177 0.000 1.077 454 K CB 0.478 33.116 32.500 0.230 0.000 0.833 454 K HN 0.399 nan 8.250 nan 0.000 0.517 455 A N 0.856 123.737 122.820 0.101 0.000 2.350 455 A HA 0.365 4.685 4.320 -0.001 0.000 0.324 455 A C 0.445 178.046 177.584 0.028 0.000 1.118 455 A CA -0.714 51.363 52.037 0.066 0.000 0.783 455 A CB 1.137 20.186 19.000 0.082 0.000 1.236 455 A HN 0.116 nan 8.150 nan 0.000 0.457 456 R N 0.507 121.009 120.500 0.003 0.000 2.092 456 R HA 0.045 4.384 4.340 -0.001 0.000 0.231 456 R C -0.372 175.925 176.300 -0.005 0.000 1.119 456 R CA 1.219 57.318 56.100 -0.002 0.000 0.970 456 R CB 0.063 30.356 30.300 -0.012 0.000 0.864 456 R HN 0.465 nan 8.270 nan 0.000 0.440 457 V N 0.595 120.502 119.914 -0.011 0.000 2.447 457 V HA 0.158 4.278 4.120 -0.001 0.000 0.292 457 V C 1.292 177.378 176.094 -0.013 0.000 1.021 457 V CA -0.193 62.094 62.300 -0.021 0.000 0.850 457 V CB 1.263 33.060 31.823 -0.043 0.000 1.005 457 V HN 0.191 nan 8.190 nan 0.000 0.426 458 I N 3.391 123.955 120.570 -0.010 0.000 2.502 458 I HA -0.155 4.014 4.170 -0.001 0.000 0.258 458 I C 2.200 178.316 176.117 -0.003 0.000 1.172 458 I CA 2.854 64.150 61.300 -0.007 0.000 1.430 458 I CB -1.453 36.541 38.000 -0.010 0.000 1.086 458 I HN 0.888 nan 8.210 nan 0.000 0.440 459 Q N -0.138 119.659 119.800 -0.006 0.000 2.376 459 Q HA 0.424 4.763 4.340 -0.001 0.000 0.206 459 Q C 1.225 177.252 176.000 0.045 0.000 0.921 459 Q CA 0.820 56.635 55.803 0.020 0.000 0.911 459 Q CB -0.187 28.552 28.738 0.001 0.000 1.032 459 Q HN 0.908 nan 8.270 nan 0.000 0.510 460 I N 1.146 121.719 120.570 0.005 0.000 2.361 460 I HA 0.507 4.676 4.170 -0.001 0.000 0.282 460 I C -0.715 175.385 176.117 -0.029 0.000 1.075 460 I CA -0.275 61.031 61.300 0.010 0.000 1.205 460 I CB 0.709 38.701 38.000 -0.014 0.000 1.406 460 I HN 0.253 nan 8.210 nan 0.000 0.481 461 I N 7.224 127.752 120.570 -0.070 0.000 2.913 461 I HA 0.409 4.578 4.170 -0.001 0.000 0.302 461 I C -2.487 173.530 176.117 -0.167 0.000 1.246 461 I CA -2.001 59.266 61.300 -0.055 0.000 1.010 461 I CB 3.844 41.842 38.000 -0.004 0.000 1.259 461 I HN 0.219 nan 8.210 nan 0.000 0.434 462 P HA 0.155 nan 4.420 nan 0.000 0.278 462 P C -1.258 175.925 177.300 -0.195 0.000 1.238 462 P CA -0.031 62.945 63.100 -0.206 0.000 0.794 462 P CB 0.392 31.997 31.700 -0.158 0.000 0.955 463 Y N -0.224 119.961 120.300 -0.192 0.000 2.457 463 Y HA 0.124 4.673 4.550 -0.001 0.000 0.341 463 Y C 2.380 178.122 175.900 -0.262 0.000 1.240 463 Y CA 1.216 59.178 58.100 -0.229 0.000 1.437 463 Y CB -0.841 37.380 38.460 -0.399 0.000 1.328 463 Y HN 0.514 nan 8.280 nan 0.000 0.588 464 D N 2.920 123.377 120.400 0.096 0.000 2.123 464 D HA -0.233 4.407 4.640 -0.001 0.000 0.196 464 D C 1.700 178.018 176.300 0.031 0.000 0.992 464 D CA 1.937 55.987 54.000 0.084 0.000 0.833 464 D CB -1.011 39.877 40.800 0.145 0.000 0.954 464 D HN 0.652 nan 8.370 nan 0.000 0.455 465 F N 1.251 121.251 119.950 0.083 0.000 2.293 465 F HA 0.036 4.562 4.527 -0.001 0.000 0.300 465 F C 1.371 177.176 175.800 0.008 0.000 1.086 465 F CA 1.197 59.212 58.000 0.024 0.000 1.375 465 F CB -0.122 38.861 39.000 -0.029 0.000 1.045 465 F HN 0.231 nan 8.300 nan 0.000 0.516 466 N N 1.084 119.498 118.700 -0.476 0.000 2.291 466 N HA 0.083 4.822 4.740 -0.001 0.000 0.244 466 N C -0.394 175.054 175.510 -0.103 0.000 1.216 466 N CA -0.634 52.297 53.050 -0.198 0.000 0.879 466 N CB -0.333 38.005 38.487 -0.249 0.000 1.167 466 N HN 0.556 nan 8.380 nan 0.000 0.515 467 R N -0.497 119.937 120.500 -0.111 0.000 2.459 467 R HA 0.492 4.832 4.340 -0.001 0.000 0.281 467 R C -0.669 175.569 176.300 -0.102 0.000 1.050 467 R CA -0.699 55.321 56.100 -0.134 0.000 1.055 467 R CB 0.859 31.105 30.300 -0.091 0.000 1.045 467 R HN -0.193 nan 8.270 nan 0.000 0.495 468 V N 5.219 124.945 119.914 -0.313 0.000 2.421 468 V HA 0.067 4.187 4.120 -0.001 0.000 0.271 468 V C 0.528 176.577 176.094 -0.075 0.000 1.031 468 V CA 0.256 62.319 62.300 -0.395 0.000 1.032 468 V CB -0.230 31.138 31.823 -0.758 0.000 1.009 468 V HN 0.587 nan 8.190 nan 0.000 0.477 469 I N 6.232 126.900 120.570 0.163 0.000 2.577 469 I HA 0.447 4.616 4.170 -0.001 0.000 0.300 469 I C 0.097 176.426 176.117 0.353 0.000 0.990 469 I CA 0.032 61.475 61.300 0.238 0.000 1.283 469 I CB 1.164 39.315 38.000 0.252 0.000 1.411 469 I HN 0.394 nan 8.210 nan 0.000 0.515 470 L N 2.938 124.294 121.223 0.222 0.000 2.283 470 L HA 0.591 4.931 4.340 -0.001 0.000 0.259 470 L C 0.469 177.411 176.870 0.120 0.000 1.027 470 L CA -1.069 53.882 54.840 0.185 0.000 0.828 470 L CB 1.414 43.554 42.059 0.135 0.000 1.380 470 L HN 0.674 nan 8.230 nan 0.000 0.425 471 S N 0.702 116.449 115.700 0.078 0.000 2.549 471 S HA 0.506 4.975 4.470 -0.001 0.000 0.286 471 S C 0.315 174.948 174.600 0.055 0.000 1.314 471 S CA 0.312 58.543 58.200 0.052 0.000 1.062 471 S CB 0.167 63.386 63.200 0.033 0.000 0.865 471 S HN 0.521 nan 8.310 nan 0.000 0.498 479 T N -1.187 113.463 114.554 0.160 0.000 3.113 479 T HA -0.083 4.266 4.350 -0.001 0.000 0.256 479 T C 1.281 176.065 174.700 0.140 0.000 1.131 479 T CA 1.282 63.467 62.100 0.140 0.000 1.074 479 T CB -0.055 68.868 68.868 0.093 0.000 0.944 479 T HN 0.484 nan 8.240 nan 0.000 0.516 480 D N -0.156 120.335 120.400 0.151 0.000 2.349 480 D HA -0.060 4.580 4.640 -0.001 0.000 0.224 480 D C 0.135 176.543 176.300 0.181 0.000 1.029 480 D CA -0.260 53.829 54.000 0.149 0.000 0.879 480 D CB -0.409 40.471 40.800 0.133 0.000 0.906 480 D HN 0.406 nan 8.370 nan 0.000 0.528 481 Y N 0.687 121.029 120.300 0.071 0.000 2.328 481 Y HA 0.504 5.053 4.550 -0.001 0.000 0.337 481 Y C -0.691 175.218 175.900 0.015 0.000 1.008 481 Y CA -1.143 56.983 58.100 0.043 0.000 1.129 481 Y CB 0.776 39.268 38.460 0.053 0.000 1.185 481 Y HN -0.120 nan 8.280 nan 0.000 0.476 482 I N 5.262 125.431 120.570 -0.668 0.000 2.828 482 I HA 0.298 4.467 4.170 -0.001 0.000 0.302 482 I C -0.923 174.532 176.117 -1.104 0.000 1.101 482 I CA -1.128 59.779 61.300 -0.655 0.000 1.031 482 I CB 1.845 39.634 38.000 -0.352 0.000 1.231 482 I HN 0.626 nan 8.210 nan 0.000 0.427 483 N N 5.413 123.687 118.700 -0.710 0.000 2.739 483 N HA 0.456 5.195 4.740 -0.001 0.000 0.266 483 N C -1.305 173.996 175.510 -0.348 0.000 1.168 483 N CA 0.089 52.860 53.050 -0.465 0.000 1.055 483 N CB -0.018 38.373 38.487 -0.161 0.000 1.393 483 N HN 0.615 nan 8.380 nan 0.000 0.514 484 A N 1.499 124.080 122.820 -0.399 0.000 2.480 484 A HA 0.519 4.838 4.320 -0.001 0.000 0.289 484 A C -0.786 176.558 177.584 -0.401 0.000 1.044 484 A CA -0.709 51.103 52.037 -0.375 0.000 0.761 484 A CB 0.869 19.608 19.000 -0.435 0.000 1.289 484 A HN 0.318 nan 8.150 nan 0.000 0.401 485 S N 1.102 116.601 115.700 -0.335 0.000 2.525 485 S HA 0.717 5.186 4.470 -0.001 0.000 0.290 485 S C -0.612 173.794 174.600 -0.323 0.000 1.152 485 S CA -0.211 57.812 58.200 -0.296 0.000 1.072 485 S CB 0.409 63.489 63.200 -0.201 0.000 1.027 485 S HN 0.449 nan 8.310 nan 0.000 0.500 486 F N 2.390 122.209 119.950 -0.218 0.000 2.467 486 F HA 0.421 4.947 4.527 -0.001 0.000 0.362 486 F C 0.360 176.115 175.800 -0.075 0.000 1.090 486 F CA -0.214 57.679 58.000 -0.178 0.000 1.202 486 F CB 0.283 39.139 39.000 -0.241 0.000 1.113 486 F HN 0.309 nan 8.300 nan 0.000 0.541 487 I N 3.424 124.123 120.570 0.215 0.000 2.509 487 I HA 0.218 4.387 4.170 -0.001 0.000 0.293 487 I C -0.601 175.690 176.117 0.290 0.000 1.020 487 I CA -1.035 60.389 61.300 0.207 0.000 1.088 487 I CB 1.665 39.760 38.000 0.159 0.000 1.267 487 I HN 0.369 nan 8.210 nan 0.000 0.430 488 D N 3.918 124.452 120.400 0.222 0.000 2.372 488 D HA 0.342 4.981 4.640 -0.001 0.000 0.243 488 D C 0.306 176.797 176.300 0.318 0.000 1.121 488 D CA 0.361 54.486 54.000 0.210 0.000 0.898 488 D CB 1.450 42.334 40.800 0.139 0.000 1.202 488 D HN 0.682 nan 8.370 nan 0.000 0.428 489 G N 0.014 108.985 108.800 0.286 0.000 2.753 489 G HA2 0.130 4.089 3.960 -0.001 0.000 0.285 489 G HA3 0.130 4.089 3.960 -0.001 0.000 0.285 489 G C 0.143 175.154 174.900 0.185 0.000 1.344 489 G CA -0.373 44.943 45.100 0.361 0.000 1.050 489 G HN 0.505 nan 8.290 nan 0.000 0.532 490 Y N -0.484 119.836 120.300 0.033 0.000 2.314 490 Y HA 0.089 4.638 4.550 -0.001 0.000 0.293 490 Y C 2.701 178.521 175.900 -0.134 0.000 1.129 490 Y CA 1.552 59.625 58.100 -0.045 0.000 1.201 490 Y CB 0.254 38.685 38.460 -0.049 0.000 0.999 490 Y HN 0.375 nan 8.280 nan 0.000 0.541 491 R N -0.235 120.115 120.500 -0.250 0.000 2.316 491 R HA 0.181 4.520 4.340 -0.001 0.000 0.201 491 R C -0.340 175.747 176.300 -0.355 0.000 0.888 491 R CA 0.361 56.227 56.100 -0.390 0.000 1.041 491 R CB 0.484 30.590 30.300 -0.324 0.000 1.115 491 R HN 0.340 nan 8.270 nan 0.000 0.559 492 Q N -0.454 119.150 119.800 -0.327 0.000 2.435 492 Q HA 0.493 4.832 4.340 -0.001 0.000 0.282 492 Q C -1.310 174.617 176.000 -0.121 0.000 1.020 492 Q CA -0.922 54.734 55.803 -0.245 0.000 0.820 492 Q CB 1.210 29.781 28.738 -0.279 0.000 1.436 492 Q HN -0.116 nan 8.270 nan 0.000 0.395 493 K N 0.486 120.833 120.400 -0.089 0.000 2.319 493 K HA 0.190 4.509 4.320 -0.001 0.000 0.265 493 K C 0.058 176.640 176.600 -0.029 0.000 1.000 493 K CA 0.568 56.833 56.287 -0.037 0.000 0.943 493 K CB -0.542 31.927 32.500 -0.051 0.000 0.950 493 K HN 0.808 nan 8.250 nan 0.000 0.485 494 D N -0.926 119.474 120.400 0.001 0.000 2.708 494 D HA -0.184 4.455 4.640 -0.001 0.000 0.236 494 D C 0.113 176.489 176.300 0.126 0.000 1.146 494 D CA 1.347 55.346 54.000 -0.002 0.000 0.662 494 D CB -1.587 38.975 40.800 -0.397 0.000 1.059 494 D HN 0.723 nan 8.370 nan 0.000 0.428 495 Y N -0.413 119.855 120.300 -0.053 0.000 2.503 495 Y HA 0.263 4.812 4.550 -0.001 0.000 0.278 495 Y C 0.058 175.695 175.900 -0.439 0.000 1.111 495 Y CA 0.295 58.233 58.100 -0.270 0.000 1.270 495 Y CB 0.388 38.592 38.460 -0.427 0.000 1.063 495 Y HN 0.014 nan 8.280 nan 0.000 0.548 496 F N 0.331 120.288 119.950 0.012 0.000 2.532 496 F HA 0.454 4.980 4.527 -0.001 0.000 0.321 496 F C -0.587 175.170 175.800 -0.071 0.000 1.089 496 F CA -1.241 56.705 58.000 -0.091 0.000 0.926 496 F CB 1.405 40.369 39.000 -0.061 0.000 1.168 496 F HN -0.441 nan 8.300 nan 0.000 0.459 497 I N 2.814 123.389 120.570 0.009 0.000 2.307 497 I HA 0.431 4.600 4.170 -0.001 0.000 0.289 497 I C -0.202 175.841 176.117 -0.124 0.000 1.021 497 I CA -0.569 60.586 61.300 -0.241 0.000 1.224 497 I CB 1.183 38.933 38.000 -0.416 0.000 1.376 497 I HN 0.698 nan 8.210 nan 0.000 0.470 498 A N 5.223 127.965 122.820 -0.130 0.000 2.478 498 A HA 0.533 4.852 4.320 -0.001 0.000 0.327 498 A C 0.014 177.519 177.584 -0.131 0.000 1.431 498 A CA -0.284 51.700 52.037 -0.088 0.000 1.014 498 A CB 0.436 19.393 19.000 -0.070 0.000 1.143 498 A HN 0.639 nan 8.150 nan 0.000 0.532 499 T N 1.327 115.820 114.554 -0.101 0.000 2.940 499 T HA 0.515 4.864 4.350 -0.001 0.000 0.288 499 T C 0.192 174.877 174.700 -0.025 0.000 1.045 499 T CA -0.553 61.477 62.100 -0.116 0.000 1.018 499 T CB 0.890 69.650 68.868 -0.180 0.000 1.151 499 T HN 0.813 nan 8.240 nan 0.000 0.529 500 Q N 1.267 121.037 119.800 -0.050 0.000 2.417 500 Q HA 0.524 4.863 4.340 -0.001 0.000 0.241 500 Q C 0.551 176.559 176.000 0.014 0.000 1.008 500 Q CA -0.811 54.985 55.803 -0.013 0.000 0.901 500 Q CB 0.150 28.862 28.738 -0.044 0.000 1.259 500 Q HN 0.754 nan 8.270 nan 0.000 0.489 501 G N 2.043 110.899 108.800 0.092 0.000 2.380 501 G HA2 0.291 4.250 3.960 -0.001 0.000 0.242 501 G HA3 0.291 4.250 3.960 -0.001 0.000 0.242 501 G C -2.372 172.466 174.900 -0.104 0.000 1.298 501 G CA -0.976 44.174 45.100 0.084 0.000 0.878 501 G HN 0.508 nan 8.290 nan 0.000 0.542 502 P HA 0.142 nan 4.420 nan 0.000 0.269 502 P C 0.027 177.237 177.300 -0.150 0.000 1.209 502 P CA -0.179 62.756 63.100 -0.274 0.000 0.776 502 P CB 0.782 32.185 31.700 -0.494 0.000 0.876 503 L N 1.564 122.632 121.223 -0.259 0.000 2.416 503 L HA 0.398 4.737 4.340 -0.001 0.000 0.262 503 L C 1.905 178.449 176.870 -0.544 0.000 1.093 503 L CA -0.507 54.144 54.840 -0.315 0.000 0.801 503 L CB 0.404 42.177 42.059 -0.476 0.000 1.191 503 L HN 0.378 nan 8.230 nan 0.000 0.459 504 A N 0.807 123.298 122.820 -0.548 0.000 1.929 504 A HA -0.254 4.065 4.320 -0.001 0.000 0.221 504 A C 1.634 178.842 177.584 -0.627 0.000 1.211 504 A CA 2.293 53.796 52.037 -0.891 0.000 0.657 504 A CB -1.030 17.810 19.000 -0.267 0.000 0.827 504 A HN 0.917 nan 8.150 nan 0.000 0.462 505 H N -1.349 117.520 119.070 -0.335 0.000 2.537 505 H HA 0.255 4.810 4.556 -0.001 0.000 0.295 505 H C 0.516 175.747 175.328 -0.161 0.000 1.054 505 H CA 1.034 56.953 56.048 -0.215 0.000 1.156 505 H CB -0.739 28.945 29.762 -0.130 0.000 1.468 505 H HN 0.495 nan 8.280 nan 0.000 0.551 506 T N -2.646 111.670 114.554 -0.397 0.000 3.332 506 T HA 0.153 4.503 4.350 -0.001 0.000 0.304 506 T C 1.416 176.016 174.700 -0.167 0.000 0.971 506 T CA 0.288 62.246 62.100 -0.236 0.000 0.954 506 T CB -0.514 68.204 68.868 -0.251 0.000 1.175 506 T HN 0.081 nan 8.240 nan 0.000 0.519 507 V N 0.059 119.830 119.914 -0.239 0.000 2.343 507 V HA 0.061 4.181 4.120 -0.001 0.000 0.247 507 V C 3.060 179.217 176.094 0.105 0.000 1.051 507 V CA 2.102 64.338 62.300 -0.107 0.000 1.036 507 V CB -1.973 29.651 31.823 -0.332 0.000 0.654 507 V HN 0.672 nan 8.190 nan 0.000 0.451 508 E N 1.560 121.776 120.200 0.026 0.000 2.086 508 E HA -0.376 3.973 4.350 -0.001 0.000 0.200 508 E C 1.745 178.433 176.600 0.147 0.000 1.012 508 E CA 2.208 58.676 56.400 0.113 0.000 0.812 508 E CB -1.078 28.652 29.700 0.050 0.000 0.743 508 E HN 0.794 nan 8.360 nan 0.000 0.453 509 D N -0.971 119.480 120.400 0.085 0.000 2.123 509 D HA -0.023 4.616 4.640 -0.001 0.000 0.200 509 D C 1.810 178.144 176.300 0.056 0.000 0.976 509 D CA 0.979 55.016 54.000 0.061 0.000 0.831 509 D CB -0.695 40.111 40.800 0.011 0.000 0.974 509 D HN 0.480 nan 8.370 nan 0.000 0.469 510 F N 0.256 120.135 119.950 -0.119 0.000 2.043 510 F HA -0.224 4.303 4.527 -0.001 0.000 0.297 510 F C 2.053 177.736 175.800 -0.195 0.000 1.121 510 F CA 1.715 59.554 58.000 -0.268 0.000 1.199 510 F CB -0.415 38.304 39.000 -0.469 0.000 0.968 510 F HN -0.044 nan 8.300 nan 0.000 0.478 511 W N 0.433 121.871 121.300 0.230 0.000 2.388 511 W HA -0.059 4.600 4.660 -0.001 0.000 0.294 511 W C 2.690 179.280 176.519 0.119 0.000 1.212 511 W CA 1.104 58.562 57.345 0.187 0.000 1.271 511 W CB -0.411 29.202 29.460 0.254 0.000 1.126 511 W HN -0.140 nan 8.180 nan 0.000 0.535 512 R N -0.084 120.597 120.500 0.302 0.000 2.105 512 R HA -0.216 4.123 4.340 -0.001 0.000 0.239 512 R C 2.257 178.662 176.300 0.176 0.000 1.135 512 R CA 1.886 58.114 56.100 0.214 0.000 0.967 512 R CB -0.634 29.748 30.300 0.136 0.000 0.861 512 R HN 0.265 nan 8.270 nan 0.000 0.442 513 M N 0.421 120.052 119.600 0.052 0.000 2.086 513 M HA -0.175 4.305 4.480 -0.001 0.000 0.261 513 M C 1.673 177.992 176.300 0.031 0.000 1.067 513 M CA 1.672 56.988 55.300 0.027 0.000 1.116 513 M CB 0.027 32.503 32.600 -0.208 0.000 1.348 513 M HN 0.049 nan 8.290 nan 0.000 0.407 514 I N -0.187 120.308 120.570 -0.126 0.000 2.264 514 I HA -0.327 3.843 4.170 -0.001 0.000 0.248 514 I C 2.371 178.564 176.117 0.126 0.000 1.111 514 I CA 1.457 62.716 61.300 -0.068 0.000 1.382 514 I CB -1.830 36.107 38.000 -0.106 0.000 1.060 514 I HN 0.686 nan 8.210 nan 0.000 0.418 515 W N 2.267 123.616 121.300 0.081 0.000 2.408 515 W HA -0.158 4.502 4.660 -0.001 0.000 0.311 515 W C 2.216 178.714 176.519 -0.035 0.000 1.190 515 W CA 1.202 58.583 57.345 0.060 0.000 1.321 515 W CB -0.102 29.407 29.460 0.083 0.000 1.143 515 W HN 0.224 nan 8.180 nan 0.000 0.501 516 E N -1.308 118.963 120.200 0.118 0.000 2.338 516 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 516 E C 0.850 177.101 176.600 -0.582 0.000 1.007 516 E CA 0.981 57.270 56.400 -0.185 0.000 0.849 516 E CB -0.384 29.210 29.700 -0.176 0.000 0.774 516 E HN 0.271 nan 8.360 nan 0.000 0.506 517 W N -0.230 121.040 121.300 -0.051 0.000 2.771 517 W HA 0.225 4.884 4.660 -0.001 0.000 0.412 517 W C 0.655 177.083 176.519 -0.151 0.000 0.965 517 W CA 0.213 57.539 57.345 -0.033 0.000 2.045 517 W CB 0.423 29.935 29.460 0.085 0.000 1.176 517 W HN -0.215 nan 8.180 nan 0.000 0.634 518 K N 0.555 120.827 120.400 -0.214 0.000 3.071 518 K HA -0.244 4.076 4.320 -0.001 0.000 0.265 518 K C 0.160 176.339 176.600 -0.701 0.000 1.060 518 K CA 1.159 57.134 56.287 -0.520 0.000 0.767 518 K CB -2.258 29.980 32.500 -0.436 0.000 1.241 518 K HN 0.240 nan 8.250 nan 0.000 0.486 519 S N -1.078 114.399 115.700 -0.372 0.000 2.528 519 S HA 0.522 4.991 4.470 -0.001 0.000 0.277 519 S C 0.775 175.222 174.600 -0.255 0.000 1.297 519 S CA 0.258 58.306 58.200 -0.253 0.000 1.052 519 S CB 0.266 63.406 63.200 -0.100 0.000 0.917 519 S HN 0.629 nan 8.310 nan 0.000 0.492 520 H N 2.037 121.134 119.070 0.044 0.000 2.893 520 H HA 0.274 4.830 4.556 -0.001 0.000 0.270 520 H C -0.281 175.138 175.328 0.152 0.000 1.095 520 H CA -0.261 55.839 56.048 0.087 0.000 1.186 520 H CB 1.047 30.851 29.762 0.070 0.000 1.562 520 H HN 0.451 nan 8.280 nan 0.000 0.536 521 T N 1.881 116.577 114.554 0.236 0.000 2.879 521 T HA 0.441 4.790 4.350 -0.001 0.000 0.290 521 T C -0.450 174.377 174.700 0.211 0.000 0.993 521 T CA -0.541 61.716 62.100 0.261 0.000 0.975 521 T CB 1.775 70.806 68.868 0.271 0.000 0.981 521 T HN 0.078 nan 8.240 nan 0.000 0.439 522 I N 2.861 123.583 120.570 0.254 0.000 2.406 522 I HA 0.533 4.702 4.170 -0.001 0.000 0.290 522 I C -0.600 175.657 176.117 0.233 0.000 0.999 522 I CA -1.149 60.287 61.300 0.226 0.000 1.124 522 I CB 1.962 40.120 38.000 0.263 0.000 1.289 522 I HN 0.251 nan 8.210 nan 0.000 0.441 523 V N 7.053 127.041 119.914 0.123 0.000 2.409 523 V HA 0.429 4.548 4.120 -0.001 0.000 0.291 523 V C -0.090 175.906 176.094 -0.162 0.000 1.020 523 V CA -0.447 61.823 62.300 -0.049 0.000 0.848 523 V CB 1.825 33.433 31.823 -0.357 0.000 0.990 523 V HN 0.673 nan 8.190 nan 0.000 0.430 524 M N 5.231 124.724 119.600 -0.178 0.000 2.181 524 M HA 0.491 4.970 4.480 -0.001 0.000 0.323 524 M C -0.240 175.975 176.300 -0.142 0.000 1.004 524 M CA -0.395 54.682 55.300 -0.371 0.000 0.941 524 M CB 1.704 34.089 32.600 -0.359 0.000 1.579 524 M HN 0.595 nan 8.290 nan 0.000 0.427 525 L N 2.007 123.101 121.223 -0.215 0.000 2.701 525 L HA 0.177 4.516 4.340 -0.001 0.000 0.238 525 L C 1.058 177.915 176.870 -0.021 0.000 1.106 525 L CA 0.049 54.868 54.840 -0.035 0.000 0.898 525 L CB 0.452 42.413 42.059 -0.164 0.000 1.188 525 L HN 0.684 nan 8.230 nan 0.000 0.508 526 T N -3.136 111.399 114.554 -0.031 0.000 2.922 526 T HA 0.734 5.084 4.350 -0.001 0.000 0.281 526 T C 0.001 174.828 174.700 0.212 0.000 1.005 526 T CA -0.191 61.931 62.100 0.038 0.000 0.982 526 T CB 1.711 70.581 68.868 0.003 0.000 1.158 526 T HN 0.057 nan 8.240 nan 0.000 0.566 527 E N -0.177 120.137 120.200 0.190 0.000 2.239 527 E HA 0.606 4.956 4.350 -0.001 0.000 0.261 527 E C 1.159 177.878 176.600 0.198 0.000 1.016 527 E CA -0.469 56.088 56.400 0.261 0.000 0.882 527 E CB 0.595 30.383 29.700 0.147 0.000 1.190 527 E HN 0.595 nan 8.360 nan 0.000 0.415 528 V N -0.024 120.011 119.914 0.201 0.000 2.307 528 V HA 0.115 4.234 4.120 -0.001 0.000 0.245 528 V C 1.688 177.820 176.094 0.064 0.000 1.045 528 V CA 2.495 64.867 62.300 0.119 0.000 1.024 528 V CB -0.650 31.202 31.823 0.049 0.000 0.651 528 V HN 0.988 nan 8.190 nan 0.000 0.449 529 Q N -0.819 119.010 119.800 0.049 0.000 2.297 529 Q HA 0.771 5.110 4.340 -0.001 0.000 0.268 529 Q C -0.310 175.709 176.000 0.030 0.000 1.045 529 Q CA 0.010 55.830 55.803 0.029 0.000 0.861 529 Q CB 1.501 30.246 28.738 0.011 0.000 1.344 529 Q HN 0.763 nan 8.270 nan 0.000 0.452 530 E N -0.060 120.152 120.200 0.021 0.000 2.422 530 E HA 0.591 4.941 4.350 -0.001 0.000 0.289 530 E C -0.091 176.515 176.600 0.010 0.000 0.985 530 E CA -0.143 56.267 56.400 0.016 0.000 0.812 530 E CB 0.778 30.489 29.700 0.019 0.000 1.226 530 E HN 1.020 nan 8.360 nan 0.000 0.419 531 R N 0.151 120.655 120.500 0.008 0.000 3.847 531 R HA -0.234 4.106 4.340 -0.001 0.000 0.304 531 R C 1.316 177.618 176.300 0.004 0.000 1.203 531 R CA 2.472 58.575 56.100 0.005 0.000 0.835 531 R CB -2.450 27.853 30.300 0.006 0.000 1.253 531 R HN 2.208 nan 8.270 nan 0.000 0.516 532 E N -5.168 115.034 120.200 0.004 0.000 4.202 532 E HA -0.260 4.089 4.350 -0.001 0.000 0.388 532 E C 0.170 176.773 176.600 0.005 0.000 0.580 532 E CA 1.857 58.259 56.400 0.003 0.000 1.386 532 E CB -1.839 27.862 29.700 0.001 0.000 1.836 532 E HN 1.156 nan 8.360 nan 0.000 0.378 533 Q N -0.025 119.779 119.800 0.007 0.000 2.235 533 Q HA 0.584 4.924 4.340 -0.001 0.000 0.250 533 Q C 0.395 176.404 176.000 0.015 0.000 0.909 533 Q CA 0.811 56.620 55.803 0.010 0.000 0.910 533 Q CB 0.303 29.046 28.738 0.007 0.000 1.223 533 Q HN 1.715 nan 8.270 nan 0.000 0.432 534 D N 0.732 121.143 120.400 0.019 0.000 2.383 534 D HA 0.450 5.089 4.640 -0.001 0.000 0.245 534 D C 0.888 177.210 176.300 0.036 0.000 1.263 534 D CA 0.255 54.272 54.000 0.028 0.000 0.936 534 D CB -0.177 40.644 40.800 0.035 0.000 1.053 534 D HN 0.896 nan 8.370 nan 0.000 0.507 535 K N -0.178 120.245 120.400 0.039 0.000 2.361 535 K HA 0.515 4.834 4.320 -0.001 0.000 0.194 535 K C 0.792 177.430 176.600 0.063 0.000 1.032 535 K CA 0.700 57.010 56.287 0.038 0.000 1.048 535 K CB -0.133 32.382 32.500 0.026 0.000 0.842 535 K HN 1.158 nan 8.250 nan 0.000 0.526 536 C N -0.567 118.787 119.300 0.089 0.000 3.146 536 C HA 0.560 5.019 4.460 -0.001 0.000 0.405 536 C C -1.118 173.956 174.990 0.140 0.000 1.012 536 C CA -1.698 57.400 59.018 0.133 0.000 1.217 536 C CB -0.327 27.533 27.740 0.199 0.000 1.599 536 C HN 0.578 nan 8.230 nan 0.000 0.567 537 Y N 3.575 123.882 120.300 0.012 0.000 2.480 537 Y HA 0.323 4.873 4.550 -0.001 0.000 0.338 537 Y C 0.608 176.489 175.900 -0.032 0.000 1.220 537 Y CA 0.885 58.967 58.100 -0.030 0.000 1.430 537 Y CB 0.694 39.115 38.460 -0.064 0.000 1.311 537 Y HN 0.807 nan 8.280 nan 0.000 0.575 538 Q N 5.495 124.808 119.800 -0.812 0.000 2.361 538 Q HA 0.104 4.443 4.340 -0.001 0.000 0.250 538 Q C -0.750 174.807 176.000 -0.738 0.000 1.023 538 Q CA -0.401 54.835 55.803 -0.946 0.000 0.915 538 Q CB 0.156 28.232 28.738 -1.104 0.000 1.238 538 Q HN 0.872 nan 8.270 nan 0.000 0.451 539 Y N 2.323 122.512 120.300 -0.184 0.000 2.462 539 Y HA 0.268 4.817 4.550 -0.001 0.000 0.261 539 Y C -0.419 175.761 175.900 0.466 0.000 1.146 539 Y CA -1.210 57.045 58.100 0.258 0.000 1.283 539 Y CB -0.252 38.218 38.460 0.017 0.000 1.090 539 Y HN 0.485 nan 8.280 nan 0.000 0.526 540 W N 1.548 122.746 121.300 -0.170 0.000 2.655 540 W HA 0.837 5.497 4.660 -0.001 0.000 0.358 540 W C -3.080 173.394 176.519 -0.076 0.000 1.100 540 W CA -2.952 54.313 57.345 -0.134 0.000 1.195 540 W CB 0.651 29.946 29.460 -0.275 0.000 1.403 540 W HN -0.320 nan 8.180 nan 0.000 0.589 541 P HA 0.244 nan 4.420 nan 0.000 0.298 541 P C 0.048 177.510 177.300 0.271 0.000 1.314 541 P CA -0.253 62.877 63.100 0.050 0.000 0.854 541 P CB 2.515 34.248 31.700 0.056 0.000 1.019 542 T N 1.111 115.731 114.554 0.110 0.000 2.852 542 T HA -0.035 4.314 4.350 -0.001 0.000 0.256 542 T C 1.912 176.707 174.700 0.157 0.000 1.038 542 T CA 2.209 64.428 62.100 0.198 0.000 1.141 542 T CB -0.175 68.746 68.868 0.088 0.000 0.869 542 T HN 0.581 nan 8.240 nan 0.000 0.439 543 E N 0.216 120.469 120.200 0.088 0.000 2.134 543 E HA 0.461 4.810 4.350 -0.001 0.000 0.194 543 E C 1.838 178.476 176.600 0.064 0.000 0.937 543 E CA 0.773 57.211 56.400 0.063 0.000 0.874 543 E CB -0.993 28.726 29.700 0.031 0.000 0.853 543 E HN 0.481 nan 8.360 nan 0.000 0.471 544 G N -0.825 108.004 108.800 0.049 0.000 2.583 544 G HA2 0.532 4.491 3.960 -0.001 0.000 0.214 544 G HA3 0.532 4.491 3.960 -0.001 0.000 0.214 544 G C 0.634 175.555 174.900 0.035 0.000 2.072 544 G CA 1.060 46.180 45.100 0.034 0.000 0.745 544 G HN 1.262 nan 8.290 nan 0.000 0.762 545 S N -0.908 114.791 115.700 -0.001 0.000 2.546 545 S HA 0.689 5.159 4.470 -0.001 0.000 0.272 545 S C -0.681 173.867 174.600 -0.087 0.000 1.140 545 S CA -0.170 58.008 58.200 -0.036 0.000 0.920 545 S CB 1.477 64.653 63.200 -0.040 0.000 1.083 545 S HN 1.522 nan 8.310 nan 0.000 0.476 546 V N -1.394 118.419 119.914 -0.168 0.000 2.919 546 V HA 1.072 5.192 4.120 -0.001 0.000 0.316 546 V C 0.029 175.934 176.094 -0.315 0.000 1.077 546 V CA -0.065 62.087 62.300 -0.247 0.000 0.977 546 V CB 1.030 32.629 31.823 -0.373 0.000 1.039 546 V HN 1.540 nan 8.190 nan 0.000 0.441 547 T N 0.899 115.299 114.554 -0.257 0.000 2.934 547 T HA 0.536 4.885 4.350 -0.001 0.000 0.328 547 T C -0.440 174.218 174.700 -0.071 0.000 1.068 547 T CA -0.508 61.470 62.100 -0.204 0.000 1.018 547 T CB 0.001 68.804 68.868 -0.109 0.000 1.009 547 T HN 0.819 nan 8.240 nan 0.000 0.471 548 H N 2.709 121.722 119.070 -0.094 0.000 2.821 548 H HA 0.552 5.107 4.556 -0.001 0.000 0.262 548 H C 1.393 176.718 175.328 -0.005 0.000 1.402 548 H CA 0.310 56.358 56.048 -0.001 0.000 1.293 548 H CB 0.212 30.045 29.762 0.118 0.000 1.533 548 H HN 1.220 nan 8.280 nan 0.000 0.528 549 G N 2.258 111.119 108.800 0.102 0.000 2.552 549 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.267 549 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.267 549 G C 1.002 175.889 174.900 -0.022 0.000 1.174 549 G CA 0.615 45.739 45.100 0.040 0.000 0.955 549 G HN 0.587 nan 8.290 nan 0.000 0.546 550 E N -0.050 120.119 120.200 -0.053 0.000 2.474 550 E HA 0.551 4.900 4.350 -0.001 0.000 0.194 550 E C 1.137 177.616 176.600 -0.202 0.000 1.041 550 E CA 1.001 57.330 56.400 -0.119 0.000 0.874 550 E CB 0.056 29.677 29.700 -0.130 0.000 0.914 550 E HN 0.704 nan 8.360 nan 0.000 0.498 551 I N 1.574 122.032 120.570 -0.186 0.000 2.385 551 I HA 0.397 4.566 4.170 -0.001 0.000 0.294 551 I C -0.094 175.842 176.117 -0.302 0.000 0.988 551 I CA -0.484 60.648 61.300 -0.279 0.000 1.265 551 I CB 1.301 39.173 38.000 -0.213 0.000 1.388 551 I HN -0.089 nan 8.210 nan 0.000 0.480 552 T N 6.433 120.797 114.554 -0.317 0.000 2.829 552 T HA 0.625 4.974 4.350 -0.001 0.000 0.280 552 T C -0.105 174.381 174.700 -0.357 0.000 0.999 552 T CA -0.411 61.507 62.100 -0.303 0.000 0.983 552 T CB 1.792 70.544 68.868 -0.193 0.000 0.968 552 T HN 0.213 nan 8.240 nan 0.000 0.446 553 I N 2.074 122.399 120.570 -0.407 0.000 2.411 553 I HA 0.568 4.737 4.170 -0.001 0.000 0.284 553 I C 0.308 176.349 176.117 -0.127 0.000 1.012 553 I CA -1.150 59.930 61.300 -0.366 0.000 1.119 553 I CB 0.358 37.960 38.000 -0.662 0.000 1.261 553 I HN 0.774 nan 8.210 nan 0.000 0.448 554 E N 6.024 126.230 120.200 0.010 0.000 2.214 554 E HA 0.709 5.058 4.350 -0.001 0.000 0.274 554 E C -0.930 175.823 176.600 0.256 0.000 0.977 554 E CA -0.707 55.748 56.400 0.091 0.000 0.827 554 E CB 2.825 32.555 29.700 0.050 0.000 1.130 554 E HN 0.706 nan 8.360 nan 0.000 0.394 555 I N 1.275 121.992 120.570 0.246 0.000 2.362 555 I HA 0.589 4.758 4.170 -0.001 0.000 0.289 555 I C 1.115 177.262 176.117 0.050 0.000 0.994 555 I CA -0.046 61.390 61.300 0.227 0.000 1.158 555 I CB 1.410 39.590 38.000 0.298 0.000 1.315 555 I HN 0.713 nan 8.210 nan 0.000 0.451 556 K N 4.311 124.690 120.400 -0.035 0.000 2.225 556 K HA 0.361 4.680 4.320 -0.001 0.000 0.204 556 K C 0.585 177.147 176.600 -0.065 0.000 1.047 556 K CA 1.176 57.443 56.287 -0.034 0.000 0.970 556 K CB -0.867 31.617 32.500 -0.027 0.000 0.939 556 K HN 0.777 nan 8.250 nan 0.000 0.472 557 N N -1.057 117.566 118.700 -0.128 0.000 2.577 557 N HA 0.560 5.299 4.740 -0.001 0.000 0.285 557 N C -0.941 174.464 175.510 -0.175 0.000 1.309 557 N CA 0.267 53.245 53.050 -0.120 0.000 0.798 557 N CB 1.612 40.036 38.487 -0.104 0.000 1.463 557 N HN 0.933 nan 8.380 nan 0.000 0.518 558 D N -0.912 119.417 120.400 -0.118 0.000 2.349 558 D HA 0.667 5.306 4.640 -0.001 0.000 0.224 558 D C -0.373 175.897 176.300 -0.050 0.000 1.323 558 D CA 0.341 54.278 54.000 -0.106 0.000 0.917 558 D CB -0.124 40.642 40.800 -0.056 0.000 1.524 558 D HN 1.256 nan 8.370 nan 0.000 0.505 559 T N -0.225 114.296 114.554 -0.055 0.000 2.809 559 T HA 0.865 5.215 4.350 -0.001 0.000 0.296 559 T C 0.760 175.463 174.700 0.005 0.000 1.015 559 T CA 0.061 62.150 62.100 -0.018 0.000 0.954 559 T CB 0.505 69.362 68.868 -0.019 0.000 0.950 559 T HN 1.822 nan 8.240 nan 0.000 0.450 560 L N 2.437 123.679 121.223 0.032 0.000 2.485 560 L HA 0.772 5.112 4.340 -0.001 0.000 0.279 560 L C 1.036 177.941 176.870 0.057 0.000 1.124 560 L CA -0.158 54.719 54.840 0.062 0.000 0.888 560 L CB -1.310 40.791 42.059 0.070 0.000 1.217 560 L HN 1.270 nan 8.230 nan 0.000 0.464 561 S N 2.270 118.011 115.700 0.069 0.000 2.481 561 S HA 0.709 5.179 4.470 -0.001 0.000 0.267 561 S C 0.894 175.542 174.600 0.081 0.000 1.174 561 S CA 0.278 58.520 58.200 0.072 0.000 1.027 561 S CB -0.035 63.216 63.200 0.086 0.000 1.117 561 S HN 1.918 nan 8.310 nan 0.000 0.495 562 E N -0.724 119.526 120.200 0.083 0.000 2.220 562 E HA 0.527 4.876 4.350 -0.001 0.000 0.272 562 E C 1.031 177.700 176.600 0.115 0.000 1.099 562 E CA 0.498 56.948 56.400 0.084 0.000 0.907 562 E CB -1.264 28.481 29.700 0.075 0.000 1.022 562 E HN 2.342 nan 8.360 nan 0.000 0.428 563 A N 2.055 124.940 122.820 0.108 0.000 1.345 563 A HA -0.221 4.099 4.320 -0.001 0.000 0.221 563 A C 1.007 178.674 177.584 0.137 0.000 0.422 563 A CA 1.251 53.357 52.037 0.115 0.000 1.098 563 A CB -2.372 16.716 19.000 0.147 0.000 1.468 563 A HN 1.269 nan 8.150 nan 0.000 0.722 564 I N 0.984 121.666 120.570 0.187 0.000 2.720 564 I HA 0.522 4.691 4.170 -0.001 0.000 0.287 564 I C 0.791 176.956 176.117 0.081 0.000 1.090 564 I CA 0.640 62.033 61.300 0.154 0.000 1.384 564 I CB 0.686 38.847 38.000 0.268 0.000 1.420 564 I HN 1.057 nan 8.210 nan 0.000 0.575 565 S N 4.980 120.677 115.700 -0.005 0.000 2.561 565 S HA 0.711 5.180 4.470 -0.001 0.000 0.303 565 S C -0.813 173.765 174.600 -0.038 0.000 1.110 565 S CA -0.770 57.447 58.200 0.029 0.000 1.034 565 S CB 1.339 64.616 63.200 0.127 0.000 1.010 565 S HN 0.451 nan 8.310 nan 0.000 0.482 566 I N 3.852 124.363 120.570 -0.100 0.000 2.359 566 I HA 0.395 4.565 4.170 -0.001 0.000 0.284 566 I C 0.307 176.256 176.117 -0.279 0.000 1.018 566 I CA -0.585 60.553 61.300 -0.270 0.000 1.173 566 I CB 1.019 38.841 38.000 -0.297 0.000 1.326 566 I HN 0.521 nan 8.210 nan 0.000 0.462 567 R N 4.837 125.129 120.500 -0.348 0.000 2.428 567 R HA 0.493 4.832 4.340 -0.001 0.000 0.294 567 R C -1.087 174.814 176.300 -0.664 0.000 1.000 567 R CA -0.871 54.936 56.100 -0.488 0.000 0.960 567 R CB 1.640 31.615 30.300 -0.543 0.000 1.076 567 R HN 0.425 nan 8.270 nan 0.000 0.475 568 D N 2.333 122.295 120.400 -0.730 0.000 2.375 568 D HA 0.364 5.003 4.640 -0.001 0.000 0.247 568 D C -0.844 175.087 176.300 -0.614 0.000 1.061 568 D CA -0.128 53.555 54.000 -0.528 0.000 0.834 568 D CB 1.610 42.258 40.800 -0.253 0.000 1.247 568 D HN 0.241 nan 8.370 nan 0.000 0.489 569 F N 0.767 120.761 119.950 0.072 0.000 2.551 569 F HA 0.410 4.936 4.527 -0.001 0.000 0.316 569 F C 0.092 175.940 175.800 0.081 0.000 1.089 569 F CA -1.053 57.004 58.000 0.094 0.000 0.915 569 F CB 1.872 40.977 39.000 0.174 0.000 1.186 569 F HN -0.029 nan 8.300 nan 0.000 0.456 570 L N 3.870 125.241 121.223 0.247 0.000 2.259 570 L HA 0.446 4.785 4.340 -0.001 0.000 0.288 570 L C -0.781 176.168 176.870 0.132 0.000 1.051 570 L CA -0.646 54.290 54.840 0.161 0.000 0.824 570 L CB 0.939 43.056 42.059 0.096 0.000 1.206 570 L HN 0.347 nan 8.230 nan 0.000 0.429 571 V N 2.713 122.730 119.914 0.171 0.000 2.406 571 V HA 0.430 4.549 4.120 -0.001 0.000 0.272 571 V C 0.345 176.536 176.094 0.162 0.000 1.043 571 V CA -0.384 61.984 62.300 0.113 0.000 0.915 571 V CB 1.370 33.365 31.823 0.286 0.000 0.988 571 V HN 0.789 nan 8.190 nan 0.000 0.466 572 T N 3.887 118.421 114.554 -0.034 0.000 2.908 572 T HA 0.611 4.960 4.350 -0.001 0.000 0.290 572 T C -0.657 173.840 174.700 -0.337 0.000 1.034 572 T CA -0.672 61.370 62.100 -0.096 0.000 1.010 572 T CB 2.108 70.935 68.868 -0.069 0.000 1.068 572 T HN 0.288 nan 8.240 nan 0.000 0.481 573 L N 2.778 123.730 121.223 -0.452 0.000 2.504 573 L HA 0.460 4.799 4.340 -0.001 0.000 0.249 573 L C 0.577 177.258 176.870 -0.315 0.000 1.120 573 L CA -0.306 54.170 54.840 -0.607 0.000 0.997 573 L CB -1.243 40.200 42.059 -1.027 0.000 1.349 573 L HN 0.978 nan 8.230 nan 0.000 0.439 582 E N 0.758 121.012 120.200 0.090 0.000 2.330 582 E HA 0.366 4.716 4.350 -0.001 0.000 0.210 582 E C 1.424 178.166 176.600 0.237 0.000 1.256 582 E CA 0.605 57.077 56.400 0.120 0.000 1.346 582 E CB -0.298 29.458 29.700 0.093 0.000 1.308 582 E HN 0.614 nan 8.360 nan 0.000 0.441 583 Q N -0.814 119.112 119.800 0.211 0.000 2.398 583 Q HA 0.230 4.569 4.340 -0.001 0.000 0.204 583 Q C 0.436 176.634 176.000 0.331 0.000 0.932 583 Q CA 0.450 56.395 55.803 0.237 0.000 0.916 583 Q CB 0.584 29.379 28.738 0.095 0.000 1.024 583 Q HN 0.451 nan 8.270 nan 0.000 0.504 584 V N 0.259 120.364 119.914 0.317 0.000 2.925 584 V HA 0.599 4.719 4.120 -0.001 0.000 0.311 584 V C -1.486 174.751 176.094 0.239 0.000 1.104 584 V CA -0.758 61.708 62.300 0.277 0.000 0.954 584 V CB 2.092 33.996 31.823 0.135 0.000 1.022 584 V HN 0.127 nan 8.190 nan 0.000 0.427 585 R N 3.093 123.737 120.500 0.240 0.000 2.774 585 R HA 0.667 5.007 4.340 -0.001 0.000 0.272 585 R C -1.869 174.502 176.300 0.119 0.000 1.000 585 R CA -0.784 55.390 56.100 0.123 0.000 0.906 585 R CB 2.528 32.908 30.300 0.133 0.000 1.227 585 R HN 0.502 nan 8.270 nan 0.000 0.468 586 V N 2.713 122.644 119.914 0.028 0.000 2.333 586 V HA 0.284 4.403 4.120 -0.001 0.000 0.274 586 V C -0.117 176.051 176.094 0.124 0.000 1.028 586 V CA -0.545 61.798 62.300 0.072 0.000 0.851 586 V CB 1.487 33.317 31.823 0.012 0.000 1.000 586 V HN 0.398 nan 8.190 nan 0.000 0.456 587 V N 5.598 125.679 119.914 0.278 0.000 2.612 587 V HA 0.640 4.759 4.120 -0.001 0.000 0.301 587 V C -0.025 176.269 176.094 0.333 0.000 1.046 587 V CA -0.857 61.665 62.300 0.371 0.000 0.946 587 V CB 2.094 34.244 31.823 0.544 0.000 1.003 587 V HN 0.888 nan 8.190 nan 0.000 0.459 588 R N 2.967 123.622 120.500 0.258 0.000 2.483 588 R HA 0.403 4.742 4.340 -0.001 0.000 0.303 588 R C -0.795 175.535 176.300 0.051 0.000 0.987 588 R CA -0.318 55.822 56.100 0.068 0.000 0.881 588 R CB 1.294 31.598 30.300 0.007 0.000 1.177 588 R HN 0.782 nan 8.270 nan 0.000 0.451 589 Q N 5.283 125.063 119.800 -0.034 0.000 2.372 589 Q HA 0.272 4.611 4.340 -0.001 0.000 0.259 589 Q C -1.285 174.583 176.000 -0.220 0.000 0.993 589 Q CA -0.589 55.216 55.803 0.004 0.000 0.854 589 Q CB 0.647 29.457 28.738 0.121 0.000 1.231 589 Q HN 0.566 nan 8.270 nan 0.000 0.462 590 F N 3.067 123.017 119.950 0.000 0.000 2.421 590 F HA 0.178 4.705 4.527 -0.001 0.000 0.358 590 F C 0.355 176.138 175.800 -0.028 0.000 1.115 590 F CA -0.242 57.749 58.000 -0.016 0.000 1.160 590 F CB 0.631 39.620 39.000 -0.019 0.000 1.123 590 F HN 0.542 nan 8.300 nan 0.000 0.508 591 H N 4.810 123.851 119.070 -0.049 0.000 2.691 591 H HA 0.214 4.769 4.556 -0.001 0.000 0.281 591 H C -0.931 174.235 175.328 -0.270 0.000 1.121 591 H CA -0.998 54.939 56.048 -0.185 0.000 1.254 591 H CB 0.456 30.044 29.762 -0.289 0.000 1.390 591 H HN 0.506 nan 8.280 nan 0.000 0.491 592 F N 5.128 125.018 119.950 -0.101 0.000 2.472 592 F HA 0.089 4.616 4.527 -0.001 0.000 0.364 592 F C 0.216 175.899 175.800 -0.195 0.000 1.090 592 F CA -0.222 57.694 58.000 -0.140 0.000 1.188 592 F CB 0.542 39.549 39.000 0.012 0.000 1.105 592 F HN 0.668 nan 8.300 nan 0.000 0.536 593 H N 3.958 122.809 119.070 -0.366 0.000 2.549 593 H HA 0.210 4.765 4.556 -0.001 0.000 0.279 593 H C 1.856 176.868 175.328 -0.527 0.000 1.018 593 H CA 0.613 56.430 56.048 -0.385 0.000 1.175 593 H CB 0.195 29.798 29.762 -0.265 0.000 1.485 593 H HN 0.796 nan 8.280 nan 0.000 0.543 594 G N -0.718 107.436 108.800 -1.078 0.000 2.920 594 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.208 594 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.208 594 G C 0.015 174.637 174.900 -0.463 0.000 1.159 594 G CA -0.227 44.385 45.100 -0.814 0.000 0.784 594 G HN 0.188 nan 8.290 nan 0.000 0.535 595 W N 2.012 123.040 121.300 -0.454 0.000 2.316 595 W HA 0.445 5.104 4.660 -0.001 0.000 0.308 595 W C -2.401 174.041 176.519 -0.129 0.000 1.106 595 W CA -2.901 54.332 57.345 -0.186 0.000 1.262 595 W CB 1.497 30.913 29.460 -0.074 0.000 1.233 595 W HN -0.027 nan 8.180 nan 0.000 0.447 596 P HA 0.159 nan 4.420 nan 0.000 0.271 596 P C 0.894 178.293 177.300 0.165 0.000 1.216 596 P CA 0.496 63.660 63.100 0.107 0.000 0.771 596 P CB 0.556 32.270 31.700 0.024 0.000 0.864 597 E N 2.415 122.666 120.200 0.085 0.000 2.164 597 E HA -0.196 4.153 4.350 -0.001 0.000 0.206 597 E C 1.134 177.771 176.600 0.062 0.000 1.032 597 E CA 2.230 58.665 56.400 0.058 0.000 0.832 597 E CB -1.269 28.449 29.700 0.029 0.000 0.742 597 E HN 0.649 nan 8.360 nan 0.000 0.460 598 I N -0.978 119.629 120.570 0.061 0.000 2.382 598 I HA 0.712 4.882 4.170 -0.001 0.000 0.285 598 I C 0.920 177.080 176.117 0.071 0.000 1.007 598 I CA -0.072 61.261 61.300 0.056 0.000 1.142 598 I CB 0.378 38.396 38.000 0.030 0.000 1.289 598 I HN 1.330 nan 8.210 nan 0.000 0.453 599 G N 3.816 112.681 108.800 0.107 0.000 2.661 599 G HA2 0.239 4.198 3.960 -0.001 0.000 0.685 599 G HA3 0.239 4.198 3.960 -0.001 0.000 0.685 599 G C -0.352 174.616 174.900 0.114 0.000 1.298 599 G CA -0.257 44.897 45.100 0.089 0.000 0.855 599 G HN 2.342 nan 8.290 nan 0.000 0.560 600 I N -0.950 119.590 120.570 -0.050 0.000 2.945 600 I HA 0.595 4.764 4.170 -0.001 0.000 0.292 600 I C -1.751 173.993 176.117 -0.622 0.000 1.093 600 I CA -2.012 59.002 61.300 -0.476 0.000 1.336 600 I CB 0.527 38.190 38.000 -0.561 0.000 1.435 600 I HN 0.402 nan 8.210 nan 0.000 0.593 601 P HA 0.151 nan 4.420 nan 0.000 0.274 601 P C -0.028 177.154 177.300 -0.197 0.000 1.231 601 P CA -0.334 62.434 63.100 -0.554 0.000 0.790 601 P CB 1.270 32.625 31.700 -0.574 0.000 0.951 602 A N 1.516 124.287 122.820 -0.081 0.000 1.935 602 A HA 0.069 4.389 4.320 -0.001 0.000 0.214 602 A C 1.908 179.525 177.584 0.054 0.000 1.178 602 A CA 1.770 53.805 52.037 -0.004 0.000 0.640 602 A CB -1.316 17.674 19.000 -0.016 0.000 0.825 602 A HN 0.573 nan 8.150 nan 0.000 0.447 603 E N -1.877 118.361 120.200 0.063 0.000 2.110 603 E HA 0.360 4.709 4.350 -0.001 0.000 0.220 603 E C 1.735 178.409 176.600 0.124 0.000 0.893 603 E CA 1.250 57.696 56.400 0.076 0.000 1.027 603 E CB -1.156 28.583 29.700 0.065 0.000 1.017 603 E HN 1.692 nan 8.360 nan 0.000 0.522 604 G N -2.270 106.617 108.800 0.145 0.000 2.705 604 G HA2 0.025 3.984 3.960 -0.001 0.000 0.193 604 G HA3 0.025 3.984 3.960 -0.001 0.000 0.193 604 G C 1.668 176.610 174.900 0.070 0.000 1.015 604 G CA 1.056 46.210 45.100 0.089 0.000 0.743 604 G HN 1.152 nan 8.290 nan 0.000 0.476 605 K N 0.752 121.198 120.400 0.076 0.000 2.032 605 K HA 0.238 4.557 4.320 -0.001 0.000 0.209 605 K C 3.020 179.685 176.600 0.109 0.000 1.048 605 K CA 2.348 58.681 56.287 0.076 0.000 0.927 605 K CB -1.406 31.131 32.500 0.062 0.000 0.712 605 K HN 1.473 nan 8.250 nan 0.000 0.441 606 G N 0.123 109.018 108.800 0.159 0.000 2.422 606 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.218 606 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.218 606 G C 1.760 176.790 174.900 0.218 0.000 1.146 606 G CA 1.478 46.726 45.100 0.247 0.000 0.769 606 G HN 0.496 nan 8.290 nan 0.000 0.547 607 M N 0.544 120.247 119.600 0.172 0.000 2.099 607 M HA 0.181 4.660 4.480 -0.001 0.000 0.262 607 M C 2.352 178.637 176.300 -0.025 0.000 1.067 607 M CA 1.124 56.425 55.300 0.002 0.000 1.124 607 M CB -0.457 32.229 32.600 0.142 0.000 1.353 607 M HN 0.205 nan 8.290 nan 0.000 0.410 608 I N 0.704 121.284 120.570 0.017 0.000 2.151 608 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 608 I C 2.440 178.580 176.117 0.040 0.000 1.080 608 I CA 2.101 63.421 61.300 0.033 0.000 1.339 608 I CB -1.405 36.666 38.000 0.118 0.000 1.039 608 I HN 0.583 nan 8.210 nan 0.000 0.409 609 D N 0.650 121.082 120.400 0.054 0.000 2.144 609 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 609 D C 2.062 178.377 176.300 0.025 0.000 0.978 609 D CA 1.247 55.282 54.000 0.058 0.000 0.833 609 D CB -0.540 40.312 40.800 0.085 0.000 0.961 609 D HN 0.262 nan 8.370 nan 0.000 0.470 610 L N -0.246 120.964 121.223 -0.021 0.000 2.046 610 L HA 0.016 4.355 4.340 -0.001 0.000 0.208 610 L C 2.423 179.238 176.870 -0.093 0.000 1.077 610 L CA 1.417 56.200 54.840 -0.095 0.000 0.747 610 L CB -0.259 41.625 42.059 -0.291 0.000 0.896 610 L HN 0.372 nan 8.230 nan 0.000 0.432 611 I N -0.362 120.193 120.570 -0.025 0.000 2.179 611 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 611 I C 2.618 178.702 176.117 -0.055 0.000 1.088 611 I CA 1.189 62.463 61.300 -0.043 0.000 1.357 611 I CB -0.603 37.310 38.000 -0.144 0.000 1.051 611 I HN 0.409 nan 8.210 nan 0.000 0.409 612 A N 0.793 123.600 122.820 -0.023 0.000 1.908 612 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 612 A C 2.538 180.118 177.584 -0.007 0.000 1.181 612 A CA 2.075 54.117 52.037 0.009 0.000 0.627 612 A CB -0.891 18.137 19.000 0.046 0.000 0.818 612 A HN 0.460 nan 8.150 nan 0.000 0.445 613 A N -0.635 122.161 122.820 -0.041 0.000 1.865 613 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 613 A C 2.225 179.679 177.584 -0.216 0.000 1.191 613 A CA 1.961 53.966 52.037 -0.053 0.000 0.623 613 A CB -1.152 17.834 19.000 -0.022 0.000 0.826 613 A HN 0.482 nan 8.150 nan 0.000 0.444 614 V N -0.032 119.576 119.914 -0.509 0.000 2.469 614 V HA -0.319 3.801 4.120 -0.001 0.000 0.251 614 V C 2.645 178.709 176.094 -0.051 0.000 1.064 614 V CA 2.303 64.333 62.300 -0.450 0.000 1.066 614 V CB -0.863 30.780 31.823 -0.300 0.000 0.667 614 V HN 0.635 nan 8.190 nan 0.000 0.461 615 Q N 0.026 119.823 119.800 -0.006 0.000 2.020 615 Q HA -0.175 4.164 4.340 -0.001 0.000 0.198 615 Q C 2.648 178.694 176.000 0.078 0.000 0.974 615 Q CA 2.101 57.941 55.803 0.062 0.000 0.829 615 Q CB -0.394 28.372 28.738 0.047 0.000 0.894 615 Q HN 0.710 nan 8.270 nan 0.000 0.433 616 K N 1.066 121.508 120.400 0.069 0.000 2.044 616 K HA -0.313 4.007 4.320 -0.001 0.000 0.210 616 K C 1.773 178.445 176.600 0.121 0.000 1.049 616 K CA 2.037 58.377 56.287 0.088 0.000 0.927 616 K CB -1.113 31.441 32.500 0.090 0.000 0.713 616 K HN 0.237 nan 8.250 nan 0.000 0.443 617 Q N 0.201 120.102 119.800 0.167 0.000 2.014 617 Q HA -0.243 4.097 4.340 -0.001 0.000 0.207 617 Q C 2.457 178.567 176.000 0.184 0.000 0.993 617 Q CA 2.690 58.627 55.803 0.224 0.000 0.850 617 Q CB -0.462 28.509 28.738 0.389 0.000 0.916 617 Q HN 0.699 nan 8.270 nan 0.000 0.417 618 Q N -0.534 119.370 119.800 0.174 0.000 2.061 618 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 618 Q C 2.345 178.424 176.000 0.132 0.000 0.984 618 Q CA 3.137 59.045 55.803 0.175 0.000 0.846 618 Q CB -0.704 28.156 28.738 0.203 0.000 0.902 618 Q HN 0.641 nan 8.270 nan 0.000 0.421 619 Q N -0.144 119.716 119.800 0.100 0.000 2.096 619 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 619 Q C 1.917 177.957 176.000 0.067 0.000 0.982 619 Q CA 1.859 57.701 55.803 0.065 0.000 0.850 619 Q CB -0.776 27.992 28.738 0.051 0.000 0.901 619 Q HN 0.443 nan 8.270 nan 0.000 0.422 620 Q N -0.618 119.232 119.800 0.083 0.000 2.049 620 Q HA -0.007 4.332 4.340 -0.001 0.000 0.198 620 Q C 2.070 178.121 176.000 0.085 0.000 0.971 620 Q CA 2.057 57.905 55.803 0.075 0.000 0.833 620 Q CB -0.830 27.954 28.738 0.076 0.000 0.896 620 Q HN 0.794 nan 8.270 nan 0.000 0.434 621 T N 0.807 115.432 114.554 0.119 0.000 3.434 621 T HA 0.343 4.692 4.350 -0.001 0.000 0.249 621 T C 0.843 175.670 174.700 0.212 0.000 1.050 621 T CA 0.268 62.456 62.100 0.146 0.000 0.952 621 T CB -0.786 68.191 68.868 0.182 0.000 1.046 621 T HN 0.213 nan 8.240 nan 0.000 0.590 622 G N 1.227 110.104 108.800 0.128 0.000 2.238 622 G HA2 0.225 4.184 3.960 -0.001 0.000 0.234 622 G HA3 0.225 4.184 3.960 -0.001 0.000 0.234 622 G C 0.268 175.138 174.900 -0.050 0.000 1.181 622 G CA -0.332 44.803 45.100 0.059 0.000 0.871 622 G HN 0.440 nan 8.290 nan 0.000 0.490 623 N N 0.717 119.218 118.700 -0.331 0.000 2.679 623 N HA 0.046 4.786 4.740 -0.001 0.000 0.240 623 N C -0.472 174.999 175.510 -0.066 0.000 1.537 623 N CA -0.416 52.585 53.050 -0.083 0.000 0.793 623 N CB 0.126 38.556 38.487 -0.095 0.000 1.391 623 N HN 0.626 nan 8.380 nan 0.000 0.524 624 H N -0.114 119.042 119.070 0.143 0.000 2.523 624 H HA 0.444 4.999 4.556 -0.001 0.000 0.345 624 H C -2.117 173.232 175.328 0.034 0.000 1.261 624 H CA -1.277 54.812 56.048 0.068 0.000 1.343 624 H CB 0.857 30.581 29.762 -0.063 0.000 1.650 624 H HN 0.233 nan 8.280 nan 0.000 0.591 625 P HA 0.077 nan 4.420 nan 0.000 0.269 625 P C -0.212 177.014 177.300 -0.124 0.000 1.209 625 P CA 0.333 63.415 63.100 -0.030 0.000 0.776 625 P CB 0.694 32.465 31.700 0.119 0.000 0.876 626 I N 1.575 121.965 120.570 -0.301 0.000 2.339 626 I HA 0.193 4.363 4.170 -0.001 0.000 0.290 626 I C 0.556 176.685 176.117 0.019 0.000 0.994 626 I CA -0.504 60.719 61.300 -0.128 0.000 1.191 626 I CB 1.143 39.043 38.000 -0.167 0.000 1.343 626 I HN 0.125 nan 8.210 nan 0.000 0.458 627 T N 6.171 120.736 114.554 0.019 0.000 2.739 627 T HA 0.290 4.639 4.350 -0.001 0.000 0.298 627 T C 0.108 174.857 174.700 0.082 0.000 0.929 627 T CA -0.314 61.779 62.100 -0.012 0.000 1.014 627 T CB 0.355 69.149 68.868 -0.123 0.000 0.914 627 T HN 0.239 nan 8.240 nan 0.000 0.509 628 V N 5.671 125.636 119.914 0.084 0.000 2.427 628 V HA 0.588 4.708 4.120 -0.001 0.000 0.286 628 V C -0.077 176.061 176.094 0.074 0.000 1.034 628 V CA -0.863 61.460 62.300 0.038 0.000 0.893 628 V CB 0.797 32.644 31.823 0.040 0.000 0.982 628 V HN 1.067 nan 8.190 nan 0.000 0.452 629 H N 1.807 120.837 119.070 -0.066 0.000 3.016 629 H HA 0.773 5.328 4.556 -0.001 0.000 0.362 629 H C -0.015 175.273 175.328 -0.066 0.000 1.233 629 H CA -0.156 55.858 56.048 -0.056 0.000 1.124 629 H CB 1.550 31.305 29.762 -0.011 0.000 1.850 629 H HN 0.677 nan 8.280 nan 0.000 0.549 630 C N -0.081 119.168 119.300 -0.085 0.000 3.319 630 C HA 0.648 5.107 4.460 -0.001 0.000 0.117 630 C C 1.484 176.470 174.990 -0.006 0.000 2.658 630 C CA 0.826 59.754 59.018 -0.150 0.000 0.889 630 C CB 0.905 28.523 27.740 -0.204 0.000 1.525 630 C HN 0.774 nan 8.230 nan 0.000 0.649 631 S N -0.077 115.608 115.700 -0.025 0.000 3.829 631 S HA 0.462 4.931 4.470 -0.001 0.000 0.201 631 S C 1.849 176.443 174.600 -0.011 0.000 1.005 631 S CA 1.040 59.242 58.200 0.003 0.000 0.935 631 S CB -0.559 62.629 63.200 -0.020 0.000 1.181 631 S HN 1.064 nan 8.310 nan 0.000 0.622 632 A N 0.272 123.069 122.820 -0.038 0.000 2.014 632 A HA 0.429 4.748 4.320 -0.001 0.000 0.218 632 A C 1.691 179.252 177.584 -0.039 0.000 1.163 632 A CA 1.613 53.626 52.037 -0.040 0.000 0.652 632 A CB -1.043 17.924 19.000 -0.054 0.000 0.808 632 A HN 1.628 nan 8.150 nan 0.000 0.449 633 G N -3.154 105.621 108.800 -0.041 0.000 2.159 633 G HA2 0.287 4.246 3.960 -0.001 0.000 0.227 633 G HA3 0.287 4.246 3.960 -0.001 0.000 0.227 633 G C 0.140 175.012 174.900 -0.047 0.000 0.986 633 G CA 0.328 45.403 45.100 -0.041 0.000 0.651 633 G HN 1.876 nan 8.290 nan 0.000 0.523 634 A N -1.698 121.099 122.820 -0.040 0.000 2.574 634 A HA 1.032 5.352 4.320 -0.001 0.000 0.297 634 A C 0.884 178.455 177.584 -0.021 0.000 1.062 634 A CA 1.161 53.186 52.037 -0.020 0.000 0.686 634 A CB 1.034 20.042 19.000 0.013 0.000 1.285 634 A HN 2.088 nan 8.150 nan 0.000 0.403 635 G N 0.997 109.790 108.800 -0.011 0.000 3.145 635 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.195 635 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.195 635 G C 0.991 175.850 174.900 -0.068 0.000 2.278 635 G CA 0.394 45.482 45.100 -0.019 0.000 1.441 635 G HN 0.748 nan 8.290 nan 0.000 0.452 636 R N 0.323 120.676 120.500 -0.244 0.000 2.075 636 R HA 0.190 4.529 4.340 -0.001 0.000 0.220 636 R C 2.737 178.969 176.300 -0.113 0.000 1.118 636 R CA 1.595 57.445 56.100 -0.417 0.000 0.986 636 R CB -0.747 29.038 30.300 -0.858 0.000 0.884 636 R HN 0.401 nan 8.270 nan 0.000 0.439 637 T N 0.453 114.939 114.554 -0.114 0.000 2.680 637 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 637 T C 1.876 176.584 174.700 0.014 0.000 1.033 637 T CA 1.770 63.848 62.100 -0.037 0.000 1.152 637 T CB -0.647 68.188 68.868 -0.056 0.000 0.859 637 T HN 0.571 nan 8.240 nan 0.000 0.452 638 G N 0.732 109.540 108.800 0.013 0.000 2.394 638 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.214 638 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.214 638 G C 1.738 176.683 174.900 0.074 0.000 1.176 638 G CA 1.282 46.401 45.100 0.032 0.000 0.786 638 G HN 0.470 nan 8.290 nan 0.000 0.533 639 T N 0.878 115.534 114.554 0.169 0.000 2.759 639 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 639 T C 1.910 176.730 174.700 0.200 0.000 1.042 639 T CA 1.237 63.496 62.100 0.265 0.000 1.140 639 T CB -0.269 68.918 68.868 0.533 0.000 0.864 639 T HN 0.233 nan 8.240 nan 0.000 0.455 640 F N 1.444 121.419 119.950 0.042 0.000 2.084 640 F HA 0.031 4.557 4.527 -0.001 0.000 0.296 640 F C 1.975 177.649 175.800 -0.208 0.000 1.111 640 F CA 0.867 58.835 58.000 -0.053 0.000 1.224 640 F CB -0.479 38.469 39.000 -0.086 0.000 0.991 640 F HN 0.056 nan 8.300 nan 0.000 0.471 641 I N 0.314 120.677 120.570 -0.344 0.000 2.226 641 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 641 I C 2.667 178.530 176.117 -0.425 0.000 1.100 641 I CA 1.236 62.119 61.300 -0.695 0.000 1.374 641 I CB -0.914 36.712 38.000 -0.622 0.000 1.057 641 I HN 0.260 nan 8.210 nan 0.000 0.413 642 A N 0.818 123.502 122.820 -0.227 0.000 1.877 642 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 642 A C 2.303 179.762 177.584 -0.209 0.000 1.186 642 A CA 1.502 53.448 52.037 -0.151 0.000 0.620 642 A CB -0.905 18.059 19.000 -0.060 0.000 0.822 642 A HN 0.378 nan 8.150 nan 0.000 0.443 643 L N -0.346 120.733 121.223 -0.241 0.000 2.093 643 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 643 L C 2.882 179.531 176.870 -0.368 0.000 1.085 643 L CA 1.278 55.940 54.840 -0.297 0.000 0.755 643 L CB -0.474 41.431 42.059 -0.256 0.000 0.904 643 L HN 0.356 nan 8.230 nan 0.000 0.435 644 S N 0.358 115.783 115.700 -0.458 0.000 2.359 644 S HA -0.198 4.271 4.470 -0.001 0.000 0.222 644 S C 1.701 176.179 174.600 -0.204 0.000 1.038 644 S CA 1.791 59.770 58.200 -0.370 0.000 1.051 644 S CB -0.411 62.556 63.200 -0.389 0.000 0.944 644 S HN 0.476 nan 8.310 nan 0.000 0.433 645 N N 1.219 119.836 118.700 -0.138 0.000 2.244 645 N HA 0.087 4.827 4.740 -0.001 0.000 0.183 645 N C 1.658 177.046 175.510 -0.203 0.000 1.016 645 N CA 0.777 53.787 53.050 -0.067 0.000 0.866 645 N CB -0.429 38.082 38.487 0.041 0.000 0.980 645 N HN 0.398 nan 8.380 nan 0.000 0.430 646 I N 0.665 121.094 120.570 -0.234 0.000 2.286 646 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 646 I C 2.033 177.932 176.117 -0.364 0.000 1.104 646 I CA 0.715 61.852 61.300 -0.272 0.000 1.397 646 I CB -0.123 37.713 38.000 -0.274 0.000 1.072 646 I HN 0.026 nan 8.210 nan 0.000 0.417 647 L N 0.664 121.624 121.223 -0.437 0.000 2.056 647 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 647 L C 3.184 179.756 176.870 -0.496 0.000 1.078 647 L CA 1.694 56.163 54.840 -0.618 0.000 0.749 647 L CB -1.138 40.471 42.059 -0.749 0.000 0.901 647 L HN 0.332 nan 8.230 nan 0.000 0.433 648 E N 0.739 120.693 120.200 -0.410 0.000 2.070 648 E HA -0.322 4.028 4.350 -0.001 0.000 0.197 648 E C 2.226 178.451 176.600 -0.626 0.000 1.004 648 E CA 1.869 58.024 56.400 -0.409 0.000 0.805 648 E CB -0.714 28.787 29.700 -0.332 0.000 0.744 648 E HN 0.459 nan 8.360 nan 0.000 0.451 649 R N -0.561 119.465 120.500 -0.789 0.000 2.115 649 R HA -0.033 4.306 4.340 -0.001 0.000 0.230 649 R C 2.456 178.572 176.300 -0.308 0.000 1.111 649 R CA 1.244 56.901 56.100 -0.738 0.000 0.976 649 R CB -0.292 29.704 30.300 -0.506 0.000 0.870 649 R HN 0.367 nan 8.270 nan 0.000 0.445 650 V N 1.071 120.839 119.914 -0.245 0.000 2.379 650 V HA -0.167 3.952 4.120 -0.001 0.000 0.245 650 V C 2.766 178.855 176.094 -0.009 0.000 1.044 650 V CA 2.318 64.561 62.300 -0.096 0.000 1.036 650 V CB -0.488 31.289 31.823 -0.077 0.000 0.664 650 V HN 0.532 nan 8.190 nan 0.000 0.453 651 K N 0.102 120.500 120.400 -0.002 0.000 2.147 651 K HA -0.020 4.299 4.320 -0.001 0.000 0.205 651 K C 2.125 178.735 176.600 0.017 0.000 1.049 651 K CA 1.790 58.119 56.287 0.070 0.000 0.936 651 K CB -0.955 31.609 32.500 0.106 0.000 0.722 651 K HN 0.596 nan 8.250 nan 0.000 0.446 652 A N 1.420 124.216 122.820 -0.040 0.000 1.831 652 A HA -0.046 4.274 4.320 -0.001 0.000 0.213 652 A C 2.092 179.704 177.584 0.045 0.000 1.223 652 A CA 1.515 53.562 52.037 0.016 0.000 0.604 652 A CB -0.049 18.977 19.000 0.043 0.000 0.878 652 A HN 0.593 nan 8.150 nan 0.000 0.450 653 E N -1.396 118.827 120.200 0.038 0.000 2.489 653 E HA 0.309 4.658 4.350 -0.001 0.000 0.204 653 E C 0.708 177.335 176.600 0.045 0.000 1.006 653 E CA 0.235 56.675 56.400 0.067 0.000 0.936 653 E CB 0.255 30.021 29.700 0.111 0.000 1.002 653 E HN 0.748 nan 8.360 nan 0.000 0.488 654 G N 2.236 111.051 108.800 0.024 0.000 2.295 654 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.287 654 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.287 654 G C -0.168 174.748 174.900 0.027 0.000 1.055 654 G CA 0.395 45.511 45.100 0.027 0.000 0.922 654 G HN 0.149 nan 8.290 nan 0.000 0.503 655 L N -1.279 119.954 121.223 0.015 0.000 2.424 655 L HA 0.869 5.208 4.340 -0.001 0.000 0.258 655 L C -0.337 176.531 176.870 -0.004 0.000 0.995 655 L CA -1.225 53.629 54.840 0.025 0.000 0.821 655 L CB 2.533 44.624 42.059 0.054 0.000 1.383 655 L HN 0.183 nan 8.230 nan 0.000 0.410 656 L N 1.854 123.081 121.223 0.008 0.000 2.476 656 L HA 0.571 4.910 4.340 -0.001 0.000 0.269 656 L C -1.801 175.074 176.870 0.009 0.000 0.965 656 L CA -0.015 54.809 54.840 -0.027 0.000 0.845 656 L CB 1.925 43.962 42.059 -0.038 0.000 1.259 656 L HN 0.514 nan 8.230 nan 0.000 0.403 657 D N 3.702 124.099 120.400 -0.005 0.000 2.472 657 D HA 0.195 4.834 4.640 -0.001 0.000 0.248 657 D C 0.666 176.978 176.300 0.019 0.000 1.271 657 D CA -0.165 53.870 54.000 0.059 0.000 0.888 657 D CB 1.573 42.441 40.800 0.114 0.000 1.337 657 D HN 0.282 nan 8.370 nan 0.000 0.526 658 V N 2.289 122.156 119.914 -0.078 0.000 2.343 658 V HA -0.198 3.922 4.120 -0.001 0.000 0.247 658 V C 2.233 178.393 176.094 0.109 0.000 1.051 658 V CA 1.384 63.587 62.300 -0.162 0.000 1.036 658 V CB -0.726 30.712 31.823 -0.642 0.000 0.654 658 V HN 0.509 nan 8.190 nan 0.000 0.451 659 F N 1.110 121.150 119.950 0.151 0.000 2.095 659 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 659 F C 2.550 178.405 175.800 0.091 0.000 1.104 659 F CA 1.926 60.065 58.000 0.233 0.000 1.232 659 F CB -0.260 38.864 39.000 0.205 0.000 0.987 659 F HN 0.119 nan 8.300 nan 0.000 0.475 660 Q N 0.411 120.222 119.800 0.017 0.000 2.123 660 Q HA -0.035 4.304 4.340 -0.001 0.000 0.199 660 Q C 2.576 178.525 176.000 -0.085 0.000 0.966 660 Q CA 1.186 56.927 55.803 -0.103 0.000 0.845 660 Q CB -1.084 27.701 28.738 0.077 0.000 0.907 660 Q HN 0.532 nan 8.270 nan 0.000 0.439 661 A N 0.791 123.599 122.820 -0.021 0.000 1.884 661 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 661 A C 2.435 179.996 177.584 -0.038 0.000 1.197 661 A CA 2.152 54.176 52.037 -0.021 0.000 0.637 661 A CB -0.830 18.143 19.000 -0.044 0.000 0.827 661 A HN 0.214 nan 8.150 nan 0.000 0.450 662 V N -0.034 119.856 119.914 -0.040 0.000 2.302 662 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 662 V C 2.495 178.506 176.094 -0.138 0.000 1.036 662 V CA 2.126 64.411 62.300 -0.025 0.000 1.020 662 V CB -0.678 31.217 31.823 0.120 0.000 0.657 662 V HN 0.675 nan 8.190 nan 0.000 0.453 663 K N 0.469 120.671 120.400 -0.329 0.000 2.160 663 K HA -0.238 4.081 4.320 -0.001 0.000 0.206 663 K C 2.201 178.679 176.600 -0.204 0.000 1.047 663 K CA 1.909 57.954 56.287 -0.404 0.000 0.930 663 K CB -0.300 31.752 32.500 -0.747 0.000 0.720 663 K HN 0.580 nan 8.250 nan 0.000 0.450 664 S N 0.908 116.532 115.700 -0.126 0.000 2.406 664 S HA -0.024 4.445 4.470 -0.001 0.000 0.228 664 S C 1.903 176.511 174.600 0.014 0.000 1.020 664 S CA 0.799 58.984 58.200 -0.025 0.000 0.965 664 S CB -0.205 63.007 63.200 0.019 0.000 0.798 664 S HN 0.212 nan 8.310 nan 0.000 0.488 665 L N 0.189 121.409 121.223 -0.005 0.000 2.156 665 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 665 L C 2.805 179.692 176.870 0.028 0.000 1.095 665 L CA 0.507 55.357 54.840 0.017 0.000 0.770 665 L CB -0.190 41.870 42.059 0.001 0.000 0.914 665 L HN 0.307 nan 8.230 nan 0.000 0.439 666 R N 0.205 120.700 120.500 -0.008 0.000 2.115 666 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 666 R C 2.125 178.481 176.300 0.094 0.000 1.111 666 R CA 1.097 57.198 56.100 0.001 0.000 0.976 666 R CB -0.418 29.832 30.300 -0.083 0.000 0.870 666 R HN 0.377 nan 8.270 nan 0.000 0.445 667 L N 0.568 121.835 121.223 0.073 0.000 2.465 667 L HA -0.124 4.215 4.340 -0.001 0.000 0.224 667 L C 2.030 179.059 176.870 0.266 0.000 1.145 667 L CA 1.044 55.953 54.840 0.115 0.000 0.834 667 L CB -0.112 41.979 42.059 0.054 0.000 0.944 667 L HN 0.214 nan 8.230 nan 0.000 0.451 668 Q N -0.989 118.971 119.800 0.266 0.000 2.394 668 Q HA 0.166 4.505 4.340 -0.001 0.000 0.218 668 Q C 0.672 176.817 176.000 0.240 0.000 0.907 668 Q CA 0.184 56.158 55.803 0.285 0.000 0.919 668 Q CB 0.874 29.710 28.738 0.164 0.000 1.051 668 Q HN 0.199 nan 8.270 nan 0.000 0.538 669 R N 1.034 121.623 120.500 0.148 0.000 2.566 669 R HA 0.298 4.637 4.340 -0.001 0.000 0.271 669 R C -2.986 173.255 176.300 -0.098 0.000 1.071 669 R CA -1.986 54.062 56.100 -0.087 0.000 0.915 669 R CB 1.941 32.180 30.300 -0.102 0.000 1.228 669 R HN -0.135 nan 8.270 nan 0.000 0.449 670 P HA 0.105 nan 4.420 nan 0.000 0.275 670 P C -0.956 176.291 177.300 -0.088 0.000 1.228 670 P CA 0.414 63.376 63.100 -0.231 0.000 0.786 670 P CB 0.426 31.922 31.700 -0.340 0.000 0.927 671 H N -0.000 119.054 119.070 -0.026 0.000 2.862 671 H HA -0.142 4.413 4.556 -0.001 0.000 0.290 671 H C 1.245 176.576 175.328 0.005 0.000 1.211 671 H CA 0.418 56.462 56.048 -0.008 0.000 1.140 671 H CB -1.537 28.219 29.762 -0.011 0.000 1.341 671 H HN 0.394 nan 8.280 nan 0.000 0.392 672 M N -0.143 119.498 119.600 0.068 0.000 2.139 672 M HA -0.039 4.440 4.480 -0.001 0.000 0.260 672 M C 1.315 177.671 176.300 0.094 0.000 1.078 672 M CA 1.159 56.492 55.300 0.054 0.000 1.106 672 M CB -0.235 32.378 32.600 0.022 0.000 1.275 672 M HN 0.035 nan 8.290 nan 0.000 0.425 673 V N 0.867 120.856 119.914 0.126 0.000 2.488 673 V HA -0.026 4.093 4.120 -0.001 0.000 0.277 673 V C 1.059 177.313 176.094 0.266 0.000 1.046 673 V CA 0.156 62.589 62.300 0.223 0.000 0.986 673 V CB 1.229 33.233 31.823 0.302 0.000 0.989 673 V HN 0.513 nan 8.190 nan 0.000 0.475 674 Q N 3.510 123.488 119.800 0.296 0.000 2.423 674 Q HA 0.130 4.470 4.340 -0.001 0.000 0.231 674 Q C 0.654 176.920 176.000 0.443 0.000 0.894 674 Q CA 0.628 56.612 55.803 0.301 0.000 0.938 674 Q CB 0.931 29.774 28.738 0.175 0.000 1.079 674 Q HN 0.903 nan 8.270 nan 0.000 0.552 675 T N -2.707 112.057 114.554 0.350 0.000 2.903 675 T HA 0.267 4.616 4.350 -0.001 0.000 0.299 675 T C 0.463 174.882 174.700 -0.469 0.000 1.093 675 T CA -0.772 61.372 62.100 0.074 0.000 1.002 675 T CB 1.254 70.152 68.868 0.051 0.000 1.127 675 T HN 0.107 nan 8.240 nan 0.000 0.488 676 L N 1.516 122.163 121.223 -0.961 0.000 2.187 676 L HA 0.109 4.448 4.340 -0.001 0.000 0.213 676 L C 2.710 179.429 176.870 -0.252 0.000 1.100 676 L CA 2.801 57.059 54.840 -0.970 0.000 0.765 676 L CB -1.212 40.471 42.059 -0.628 0.000 0.904 676 L HN 1.028 nan 8.230 nan 0.000 0.437 677 E N -0.924 119.209 120.200 -0.110 0.000 2.107 677 E HA -0.241 4.108 4.350 -0.001 0.000 0.191 677 E C 2.038 178.723 176.600 0.141 0.000 0.982 677 E CA 1.386 57.804 56.400 0.030 0.000 0.809 677 E CB -0.749 28.968 29.700 0.029 0.000 0.756 677 E HN 0.785 nan 8.360 nan 0.000 0.459 678 Q N -1.742 118.163 119.800 0.175 0.000 2.167 678 Q HA -0.053 4.286 4.340 -0.001 0.000 0.202 678 Q C 2.087 178.325 176.000 0.395 0.000 0.970 678 Q CA 1.506 57.499 55.803 0.318 0.000 0.855 678 Q CB -0.200 28.735 28.738 0.328 0.000 0.911 678 Q HN 0.770 nan 8.270 nan 0.000 0.438 679 Y N 0.964 121.384 120.300 0.200 0.000 2.337 679 Y HA -0.135 4.414 4.550 -0.001 0.000 0.293 679 Y C 2.399 178.475 175.900 0.295 0.000 1.123 679 Y CA 1.737 59.997 58.100 0.267 0.000 1.201 679 Y CB -0.188 38.481 38.460 0.349 0.000 1.011 679 Y HN 0.153 nan 8.280 nan 0.000 0.545 680 E N 0.355 120.724 120.200 0.282 0.000 2.072 680 E HA -0.260 4.089 4.350 -0.001 0.000 0.191 680 E C 1.921 178.635 176.600 0.189 0.000 0.985 680 E CA 1.362 57.876 56.400 0.190 0.000 0.801 680 E CB -1.559 28.220 29.700 0.132 0.000 0.750 680 E HN 0.615 nan 8.360 nan 0.000 0.452 681 F N 0.819 120.803 119.950 0.056 0.000 2.154 681 F HA -0.210 4.316 4.527 -0.001 0.000 0.301 681 F C 2.403 178.201 175.800 -0.004 0.000 1.087 681 F CA 1.524 59.534 58.000 0.016 0.000 1.274 681 F CB -0.649 38.356 39.000 0.008 0.000 1.009 681 F HN 0.333 nan 8.300 nan 0.000 0.485 682 C N -0.526 118.715 119.300 -0.099 0.000 2.432 682 C HA -0.203 4.257 4.460 -0.001 0.000 0.277 682 C C 2.562 177.353 174.990 -0.331 0.000 1.249 682 C CA 1.103 59.945 59.018 -0.293 0.000 1.725 682 C CB -1.644 25.926 27.740 -0.284 0.000 2.028 682 C HN 0.539 nan 8.230 nan 0.000 0.477 683 Y N 1.708 121.852 120.300 -0.259 0.000 2.181 683 Y HA -0.158 4.391 4.550 -0.001 0.000 0.288 683 Y C 2.700 178.493 175.900 -0.179 0.000 1.146 683 Y CA 2.286 60.268 58.100 -0.196 0.000 1.164 683 Y CB -0.718 37.648 38.460 -0.156 0.000 0.982 683 Y HN 0.344 nan 8.280 nan 0.000 0.515 684 K N 0.264 120.646 120.400 -0.031 0.000 2.032 684 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 684 K C 2.082 178.562 176.600 -0.200 0.000 1.048 684 K CA 1.983 58.214 56.287 -0.094 0.000 0.927 684 K CB -1.586 30.872 32.500 -0.069 0.000 0.712 684 K HN 0.221 nan 8.250 nan 0.000 0.441 685 V N 0.924 120.584 119.914 -0.422 0.000 2.392 685 V HA -0.227 3.893 4.120 -0.001 0.000 0.249 685 V C 2.485 178.467 176.094 -0.185 0.000 1.059 685 V CA 1.806 63.868 62.300 -0.397 0.000 1.051 685 V CB -0.264 31.203 31.823 -0.594 0.000 0.658 685 V HN 0.407 nan 8.190 nan 0.000 0.455 686 V N -0.334 119.471 119.914 -0.182 0.000 2.453 686 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 686 V C 2.996 179.106 176.094 0.027 0.000 1.048 686 V CA 2.198 64.442 62.300 -0.093 0.000 1.049 686 V CB -0.899 30.826 31.823 -0.165 0.000 0.672 686 V HN 0.692 nan 8.190 nan 0.000 0.457 687 Q N 0.101 119.903 119.800 0.003 0.000 2.050 687 Q HA -0.284 4.055 4.340 -0.001 0.000 0.202 687 Q C 1.961 177.974 176.000 0.023 0.000 0.980 687 Q CA 2.793 58.610 55.803 0.024 0.000 0.840 687 Q CB -1.751 26.998 28.738 0.019 0.000 0.898 687 Q HN 0.813 nan 8.270 nan 0.000 0.424 688 D N -0.660 119.746 120.400 0.010 0.000 2.123 688 D HA -0.121 4.518 4.640 -0.001 0.000 0.196 688 D C 1.748 178.071 176.300 0.039 0.000 0.992 688 D CA 1.449 55.456 54.000 0.012 0.000 0.833 688 D CB -0.568 40.229 40.800 -0.004 0.000 0.954 688 D HN 0.619 nan 8.370 nan 0.000 0.455 689 F N 0.477 120.378 119.950 -0.081 0.000 2.134 689 F HA 0.025 4.551 4.527 -0.001 0.000 0.299 689 F C 2.286 178.051 175.800 -0.058 0.000 1.097 689 F CA 1.145 59.100 58.000 -0.075 0.000 1.264 689 F CB -0.137 38.804 39.000 -0.098 0.000 1.001 689 F HN 0.140 nan 8.300 nan 0.000 0.479 690 I N 0.380 120.979 120.570 0.048 0.000 2.423 690 I HA -0.185 3.985 4.170 -0.001 0.000 0.254 690 I C 1.324 177.375 176.117 -0.110 0.000 1.151 690 I CA 1.071 62.350 61.300 -0.035 0.000 1.421 690 I CB -1.315 36.704 38.000 0.031 0.000 1.079 690 I HN 0.344 nan 8.210 nan 0.000 0.431 691 D N 0.000 120.341 120.400 -0.098 0.000 6.856 691 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 691 D CA 0.000 53.940 54.000 -0.100 0.000 0.868 691 D CB 0.000 40.767 40.800 -0.054 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683