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 3i74_1_B DATA FIRST_RESID 113 DATA SEQUENCE TTHTSDFLKL NPSSGLWPAS GLGQDVIVAV LDSGIWPESA SFQDDGMPEI DATA SEQUENCE PKRWKGIcKP GTQFNASMcN RKLIGANYFN KGILANDPTV NITMNSARDT DATA SEQUENCE DGHGTHCASI TAGNFAKGVS HFGYAPGTAR GVAPRARLAV YKFSFNEGTF DATA SEQUENCE TSDLIAAMDQ AVADGVDMIS ISYGYRFIPL YEDAISIASF GAMMKGVLVS DATA SEQUENCE ASAGNRGPGI GSLNNGSPWI LCVASGHTDR TFAGTLTLGN GLKIRGWSLF DATA SEQUENCE PARAFVRDSP VIYNKTLSDc SSEELLSQVE NPENTIVIcD DNGDFSDQMR DATA SEQUENCE IITRARLKAA IFISEDPGVF RSATFPNPGV VVNKKEGKQV INYVKNSVTP DATA SEQUENCE TATITFQETY LXTKPAPVVA ASSARGPSRS YLGISKPDIL APGVLILAAY DATA SEQUENCE PPNVFATSIG TNILLSTDYI LESGTSMAAP HAAGIAAMLK AAHPEWSPSA DATA SEQUENCE IRSAMMTTAD PLDXXRKPIK DSDNNKAATP LDMGAGHVDP NRALDPGLVY DATA SEQUENCE DATPQDYVNL LcSLNFTEEQ FKTIARSSAS HXcSNPSADL NYPSFIALYS DATA SEQUENCE IEGNFTLLEQ KFKRTVTNVG XXAATYKAKL KAPKNSTISV SPQILVFKNK DATA SEQUENCE NEKQSYTLTI RYIGDXXXSR NVGSITWVEQ NGNHSVRSPI VTSPIIEVW 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 113 T HA 0.000 nan 4.350 nan 0.000 0.228 113 T C 0.000 174.772 174.700 0.120 0.000 1.109 113 T CA 0.000 62.185 62.100 0.142 0.000 1.349 113 T CB 0.000 68.912 68.868 0.074 0.000 0.612 114 T N -1.272 113.362 114.554 0.133 0.000 3.088 114 T HA 0.167 4.517 4.350 0.000 0.000 0.259 114 T C 1.243 176.060 174.700 0.195 0.000 1.122 114 T CA 1.446 63.621 62.100 0.125 0.000 1.095 114 T CB -0.235 68.689 68.868 0.092 0.000 0.930 114 T HN 0.631 nan 8.240 nan 0.000 0.508 115 H N -0.545 118.584 119.070 0.098 0.000 3.436 115 H HA 0.338 4.894 4.556 0.000 0.000 0.244 115 H C 1.957 177.368 175.328 0.138 0.000 1.009 115 H CA 0.744 56.849 56.048 0.096 0.000 1.129 115 H CB 0.155 29.952 29.762 0.058 0.000 1.473 115 H HN 0.076 nan 8.280 nan 0.000 0.510 116 T N 0.130 114.712 114.554 0.047 0.000 2.649 116 T HA -0.269 4.082 4.350 0.000 0.000 0.268 116 T C 2.138 176.869 174.700 0.051 0.000 1.036 116 T CA 2.691 64.832 62.100 0.069 0.000 1.157 116 T CB -0.534 68.491 68.868 0.263 0.000 0.861 116 T HN 0.633 nan 8.240 nan 0.000 0.445 117 S N 1.281 117.019 115.700 0.064 0.000 2.399 117 S HA -0.142 4.328 4.470 0.000 0.000 0.231 117 S C 1.675 176.185 174.600 -0.150 0.000 1.022 117 S CA 1.233 59.435 58.200 0.004 0.000 0.983 117 S CB -0.387 62.872 63.200 0.098 0.000 0.803 117 S HN 0.411 nan 8.310 nan 0.000 0.480 118 D N 0.968 121.278 120.400 -0.149 0.000 2.117 118 D HA -0.012 4.629 4.640 0.000 0.000 0.198 118 D C 1.517 177.718 176.300 -0.165 0.000 0.982 118 D CA 0.858 54.762 54.000 -0.161 0.000 0.828 118 D CB -0.535 40.224 40.800 -0.067 0.000 0.967 118 D HN 0.529 nan 8.370 nan 0.000 0.464 119 F N 1.030 120.705 119.950 -0.459 0.000 2.250 119 F HA -0.120 4.408 4.527 0.000 0.000 0.301 119 F C 1.857 177.586 175.800 -0.117 0.000 1.077 119 F CA 0.938 58.756 58.000 -0.303 0.000 1.348 119 F CB 0.120 38.917 39.000 -0.338 0.000 1.040 119 F HN -0.107 nan 8.300 nan 0.000 0.509 120 L N -0.048 121.066 121.223 -0.181 0.000 2.567 120 L HA 0.054 4.394 4.340 0.000 0.000 0.225 120 L C 0.993 177.735 176.870 -0.213 0.000 1.119 120 L CA 0.423 55.139 54.840 -0.206 0.000 0.871 120 L CB -0.279 41.727 42.059 -0.090 0.000 1.036 120 L HN 0.101 nan 8.230 nan 0.000 0.459 121 K N -0.850 119.416 120.400 -0.224 0.000 3.509 121 K HA -0.148 4.172 4.320 0.000 0.000 0.302 121 K C 0.017 176.438 176.600 -0.297 0.000 1.355 121 K CA 0.362 56.522 56.287 -0.212 0.000 0.953 121 K CB -1.804 30.597 32.500 -0.165 0.000 1.321 121 K HN 0.200 nan 8.250 nan 0.000 0.461 122 L N 2.706 123.661 121.223 -0.448 0.000 2.453 122 L HA 0.153 4.493 4.340 0.000 0.000 0.272 122 L C 0.758 177.020 176.870 -1.012 0.000 1.182 122 L CA 0.275 54.610 54.840 -0.841 0.000 0.858 122 L CB 0.189 41.517 42.059 -1.219 0.000 1.120 122 L HN 0.289 nan 8.230 nan 0.000 0.474 123 N N 2.311 120.551 118.700 -0.766 0.000 2.823 123 N HA 0.306 5.046 4.740 0.000 0.000 0.251 123 N C -2.847 172.733 175.510 0.117 0.000 1.392 123 N CA -1.522 51.333 53.050 -0.325 0.000 0.864 123 N CB 2.148 40.537 38.487 -0.164 0.000 1.481 123 N HN 0.027 nan 8.380 nan 0.000 0.508 124 P HA 0.113 nan 4.420 nan 0.000 0.225 124 P C 1.054 178.441 177.300 0.145 0.000 1.156 124 P CA 0.829 64.100 63.100 0.284 0.000 0.787 124 P CB 0.278 32.114 31.700 0.227 0.000 0.802 125 S N -0.743 115.008 115.700 0.085 0.000 2.357 125 S HA 0.015 4.485 4.470 0.000 0.000 0.221 125 S C 1.111 175.737 174.600 0.043 0.000 1.031 125 S CA 1.255 59.484 58.200 0.048 0.000 0.982 125 S CB -0.378 62.836 63.200 0.023 0.000 0.853 125 S HN 0.347 nan 8.310 nan 0.000 0.458 126 S N -1.504 114.217 115.700 0.036 0.000 2.656 126 S HA 0.732 5.202 4.470 0.000 0.000 0.273 126 S C -0.035 174.579 174.600 0.024 0.000 1.168 126 S CA -0.308 57.909 58.200 0.028 0.000 0.817 126 S CB 1.197 64.403 63.200 0.009 0.000 1.146 126 S HN 1.087 nan 8.310 nan 0.000 0.475 127 G N 0.367 109.182 108.800 0.024 0.000 2.508 127 G HA2 -0.154 3.806 3.960 0.000 0.000 0.220 127 G HA3 -0.154 3.806 3.960 0.000 0.000 0.220 127 G C 0.370 175.304 174.900 0.057 0.000 1.287 127 G CA -0.149 44.963 45.100 0.021 0.000 0.916 127 G HN 1.313 nan 8.290 nan 0.000 0.574 128 L N -1.124 120.141 121.223 0.070 0.000 2.046 128 L HA -0.039 4.301 4.340 0.000 0.000 0.208 128 L C 2.862 179.869 176.870 0.228 0.000 1.077 128 L CA 2.588 57.499 54.840 0.119 0.000 0.747 128 L CB -0.370 41.770 42.059 0.136 0.000 0.896 128 L HN 0.682 nan 8.230 nan 0.000 0.432 129 W N 0.909 122.205 121.300 -0.006 0.000 2.311 129 W HA -0.151 4.509 4.660 0.000 0.000 0.326 129 W C -0.212 176.304 176.519 -0.005 0.000 1.239 129 W CA 1.179 58.526 57.345 0.003 0.000 1.258 129 W CB -2.434 27.042 29.460 0.027 0.000 1.165 129 W HN 0.207 nan 8.180 nan 0.000 0.466 130 P HA -0.138 nan 4.420 nan 0.000 0.215 130 P C 1.306 178.634 177.300 0.046 0.000 1.153 130 P CA 2.977 66.144 63.100 0.112 0.000 0.853 130 P CB -0.373 31.384 31.700 0.095 0.000 0.788 131 A N 0.320 123.161 122.820 0.034 0.000 2.067 131 A HA -0.081 4.239 4.320 0.000 0.000 0.219 131 A C 2.174 179.721 177.584 -0.063 0.000 1.158 131 A CA 1.917 53.935 52.037 -0.032 0.000 0.661 131 A CB -1.093 17.872 19.000 -0.058 0.000 0.801 131 A HN 0.409 nan 8.150 nan 0.000 0.452 132 S N -2.755 112.930 115.700 -0.025 0.000 2.540 132 S HA 0.409 4.879 4.470 0.000 0.000 0.222 132 S C 1.276 175.841 174.600 -0.058 0.000 1.008 132 S CA 0.928 59.097 58.200 -0.051 0.000 0.939 132 S CB -0.142 63.045 63.200 -0.023 0.000 0.865 132 S HN 1.814 nan 8.310 nan 0.000 0.499 133 G N 2.391 111.164 108.800 -0.045 0.000 2.249 133 G HA2 -0.258 3.702 3.960 0.000 0.000 0.273 133 G HA3 -0.258 3.702 3.960 0.000 0.000 0.273 133 G C 0.490 175.313 174.900 -0.128 0.000 1.036 133 G CA 0.154 45.216 45.100 -0.065 0.000 0.824 133 G HN 1.084 nan 8.290 nan 0.000 0.504 134 L N -2.978 118.125 121.223 -0.199 0.000 4.367 134 L HA -0.269 4.071 4.340 0.000 0.000 0.424 134 L C 1.912 178.634 176.870 -0.246 0.000 1.152 134 L CA 1.021 55.624 54.840 -0.396 0.000 0.974 134 L CB -1.609 40.145 42.059 -0.508 0.000 2.012 134 L HN 2.148 nan 8.230 nan 0.000 0.922 135 G N 0.118 108.832 108.800 -0.142 0.000 2.160 135 G HA2 -0.321 3.639 3.960 0.000 0.000 0.244 135 G HA3 -0.321 3.639 3.960 0.000 0.000 0.244 135 G C 0.878 175.722 174.900 -0.093 0.000 1.022 135 G CA 0.754 45.794 45.100 -0.099 0.000 0.741 135 G HN 0.783 nan 8.290 nan 0.000 0.508 136 Q N -0.825 118.920 119.800 -0.092 0.000 2.170 136 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 136 Q C 1.472 177.434 176.000 -0.062 0.000 0.976 136 Q CA 1.629 57.386 55.803 -0.077 0.000 0.858 136 Q CB -0.043 28.656 28.738 -0.065 0.000 0.907 136 Q HN 0.403 nan 8.270 nan 0.000 0.433 137 D N 0.251 120.620 120.400 -0.052 0.000 2.388 137 D HA 0.187 4.827 4.640 0.000 0.000 0.221 137 D C -0.849 175.432 176.300 -0.030 0.000 1.133 137 D CA -0.156 53.822 54.000 -0.035 0.000 0.831 137 D CB 0.693 41.478 40.800 -0.026 0.000 0.962 137 D HN 0.027 nan 8.370 nan 0.000 0.502 138 V N 0.700 120.587 119.914 -0.045 0.000 2.815 138 V HA 0.495 4.615 4.120 0.000 0.000 0.314 138 V C -0.148 175.912 176.094 -0.058 0.000 1.064 138 V CA -0.854 61.426 62.300 -0.033 0.000 0.952 138 V CB 2.333 34.141 31.823 -0.025 0.000 1.020 138 V HN -0.037 nan 8.190 nan 0.000 0.439 139 I N 3.467 124.013 120.570 -0.040 0.000 2.447 139 I HA 0.508 4.678 4.170 0.000 0.000 0.287 139 I C -0.853 175.254 176.117 -0.016 0.000 1.023 139 I CA -0.821 60.428 61.300 -0.084 0.000 1.083 139 I CB 1.972 39.889 38.000 -0.139 0.000 1.245 139 I HN 0.348 nan 8.210 nan 0.000 0.434 140 V N 6.219 126.122 119.914 -0.018 0.000 2.409 140 V HA 0.821 4.941 4.120 0.000 0.000 0.291 140 V C 0.022 176.166 176.094 0.082 0.000 1.020 140 V CA -0.176 62.148 62.300 0.039 0.000 0.848 140 V CB 1.494 33.338 31.823 0.034 0.000 0.990 140 V HN 0.822 nan 8.190 nan 0.000 0.430 141 A N 5.998 128.907 122.820 0.148 0.000 2.327 141 A HA 0.772 5.092 4.320 0.000 0.000 0.283 141 A C -0.548 177.174 177.584 0.230 0.000 1.127 141 A CA -0.443 51.757 52.037 0.271 0.000 0.810 141 A CB 1.249 20.421 19.000 0.287 0.000 1.066 141 A HN 1.207 nan 8.150 nan 0.000 0.492 142 V N 3.683 123.771 119.914 0.289 0.000 2.376 142 V HA 0.279 4.399 4.120 0.000 0.000 0.287 142 V C -0.975 175.312 176.094 0.322 0.000 1.015 142 V CA -0.340 62.107 62.300 0.245 0.000 0.834 142 V CB 0.991 32.919 31.823 0.174 0.000 1.001 142 V HN 0.680 nan 8.190 nan 0.000 0.428 143 L N 5.478 126.894 121.223 0.321 0.000 2.259 143 L HA 0.666 5.007 4.340 0.000 0.000 0.288 143 L C 0.154 177.318 176.870 0.491 0.000 1.051 143 L CA 0.836 55.922 54.840 0.410 0.000 0.824 143 L CB 0.352 42.579 42.059 0.280 0.000 1.206 143 L HN 0.684 nan 8.230 nan 0.000 0.429 144 D N -0.149 120.449 120.400 0.331 0.000 3.376 144 D HA 0.143 4.783 4.640 0.000 0.000 0.344 144 D C 0.278 176.519 176.300 -0.098 0.000 1.428 144 D CA 0.110 54.237 54.000 0.211 0.000 0.949 144 D CB 1.516 42.542 40.800 0.377 0.000 1.451 144 D HN 0.222 nan 8.370 nan 0.000 0.578 145 S N -0.024 115.660 115.700 -0.026 0.000 2.786 145 S HA 0.460 4.931 4.470 0.000 0.000 0.223 145 S C 1.026 175.519 174.600 -0.178 0.000 0.956 145 S CA 0.949 59.047 58.200 -0.169 0.000 0.961 145 S CB -0.390 62.772 63.200 -0.062 0.000 0.784 145 S HN 0.938 nan 8.310 nan 0.000 0.519 146 G N 0.558 109.295 108.800 -0.105 0.000 2.472 146 G HA2 -0.031 3.929 3.960 0.000 0.000 0.205 146 G HA3 -0.031 3.929 3.960 0.000 0.000 0.205 146 G C -0.950 173.918 174.900 -0.053 0.000 1.270 146 G CA -0.376 44.655 45.100 -0.114 0.000 0.974 146 G HN 0.881 nan 8.290 nan 0.000 0.542 147 I N -1.257 119.277 120.570 -0.059 0.000 3.004 147 I HA 0.589 4.759 4.170 0.000 0.000 0.305 147 I C -1.366 174.798 176.117 0.080 0.000 1.312 147 I CA -1.172 60.102 61.300 -0.044 0.000 0.992 147 I CB 2.118 39.966 38.000 -0.252 0.000 1.282 147 I HN 0.842 nan 8.210 nan 0.000 0.449 148 W N 7.965 129.241 121.300 -0.039 0.000 2.298 148 W HA 0.358 5.018 4.660 0.000 0.000 0.327 148 W C -2.138 174.432 176.519 0.085 0.000 0.988 148 W CA -1.985 55.380 57.345 0.034 0.000 1.448 148 W CB 1.390 30.872 29.460 0.037 0.000 1.243 148 W HN 0.397 nan 8.180 nan 0.000 0.388 149 P HA -0.246 nan 4.420 nan 0.000 0.217 149 P C 1.181 178.526 177.300 0.074 0.000 1.150 149 P CA 1.969 65.024 63.100 -0.075 0.000 0.832 149 P CB 0.159 31.699 31.700 -0.267 0.000 0.787 150 E N 0.260 120.445 120.200 -0.024 0.000 2.472 150 E HA -0.029 4.321 4.350 0.000 0.000 0.200 150 E C 0.892 177.642 176.600 0.250 0.000 1.046 150 E CA 0.150 56.605 56.400 0.091 0.000 0.871 150 E CB -0.861 28.867 29.700 0.046 0.000 0.806 150 E HN 0.115 nan 8.360 nan 0.000 0.533 151 S N 0.348 116.292 115.700 0.407 0.000 2.566 151 S HA 0.221 4.691 4.470 0.000 0.000 0.280 151 S C 1.258 175.924 174.600 0.111 0.000 1.343 151 S CA 0.280 58.632 58.200 0.253 0.000 1.036 151 S CB 1.114 64.432 63.200 0.198 0.000 0.866 151 S HN 0.321 nan 8.310 nan 0.000 0.526 152 A N 3.678 126.539 122.820 0.069 0.000 2.015 152 A HA 0.032 4.352 4.320 0.000 0.000 0.219 152 A C 2.270 179.831 177.584 -0.039 0.000 1.163 152 A CA 1.628 53.700 52.037 0.059 0.000 0.646 152 A CB -0.904 18.160 19.000 0.108 0.000 0.806 152 A HN 0.825 nan 8.150 nan 0.000 0.448 153 S N -1.011 114.554 115.700 -0.224 0.000 2.507 153 S HA 0.011 4.481 4.470 0.000 0.000 0.235 153 S C 0.672 174.963 174.600 -0.516 0.000 0.988 153 S CA 0.798 58.725 58.200 -0.454 0.000 0.944 153 S CB -0.419 62.338 63.200 -0.738 0.000 0.762 153 S HN 0.656 nan 8.310 nan 0.000 0.526 154 F N 0.658 120.637 119.950 0.047 0.000 2.683 154 F HA 0.317 4.844 4.527 0.000 0.000 0.306 154 F C 0.822 176.628 175.800 0.009 0.000 1.102 154 F CA -0.751 57.260 58.000 0.018 0.000 1.244 154 F CB 0.334 39.347 39.000 0.023 0.000 1.029 154 F HN -0.034 nan 8.300 nan 0.000 0.545 155 Q N 1.315 121.187 119.800 0.119 0.000 2.318 155 Q HA 0.155 4.495 4.340 0.000 0.000 0.222 155 Q C -0.117 175.918 176.000 0.058 0.000 1.003 155 Q CA 0.038 55.888 55.803 0.079 0.000 0.936 155 Q CB 0.799 29.571 28.738 0.056 0.000 1.204 155 Q HN 0.269 nan 8.270 nan 0.000 0.524 156 D N -0.928 119.496 120.400 0.040 0.000 2.886 156 D HA 0.134 4.774 4.640 0.000 0.000 0.355 156 D C -0.353 175.960 176.300 0.023 0.000 1.274 156 D CA -0.305 53.712 54.000 0.028 0.000 0.836 156 D CB 0.223 41.033 40.800 0.016 0.000 1.109 156 D HN 0.089 nan 8.370 nan 0.000 0.488 157 D N 1.176 121.595 120.400 0.032 0.000 2.106 157 D HA -0.066 4.574 4.640 0.000 0.000 0.194 157 D C 1.917 178.227 176.300 0.016 0.000 0.988 157 D CA 1.745 55.759 54.000 0.024 0.000 0.845 157 D CB -0.379 40.438 40.800 0.029 0.000 0.990 157 D HN 0.481 nan 8.370 nan 0.000 0.448 158 G N -0.063 108.752 108.800 0.026 0.000 3.424 158 G HA2 0.143 4.104 3.960 0.000 0.000 0.263 158 G HA3 0.143 4.104 3.960 0.000 0.000 0.263 158 G C 0.206 175.110 174.900 0.006 0.000 1.310 158 G CA -0.223 44.884 45.100 0.012 0.000 1.089 158 G HN 0.006 nan 8.290 nan 0.000 0.534 159 M N 1.913 121.515 119.600 0.003 0.000 2.157 159 M HA 0.320 4.800 4.480 0.000 0.000 0.354 159 M C -2.070 174.224 176.300 -0.011 0.000 1.170 159 M CA -2.802 52.493 55.300 -0.008 0.000 1.060 159 M CB 1.379 33.973 32.600 -0.009 0.000 1.615 159 M HN -0.017 nan 8.290 nan 0.000 0.460 160 P HA 0.160 nan 4.420 nan 0.000 0.282 160 P C -0.455 176.840 177.300 -0.010 0.000 1.286 160 P CA -0.336 62.756 63.100 -0.012 0.000 0.777 160 P CB 0.603 32.293 31.700 -0.016 0.000 1.184 161 E N -0.590 119.608 120.200 -0.003 0.000 2.404 161 E HA 0.154 4.504 4.350 0.000 0.000 0.261 161 E C 0.098 176.701 176.600 0.005 0.000 1.074 161 E CA -0.351 56.052 56.400 0.005 0.000 0.917 161 E CB 0.199 29.906 29.700 0.012 0.000 0.965 161 E HN 0.294 nan 8.360 nan 0.000 0.433 162 I N 4.578 125.156 120.570 0.014 0.000 2.598 162 I HA 0.005 4.175 4.170 0.000 0.000 0.284 162 I C -1.744 174.404 176.117 0.053 0.000 1.140 162 I CA -1.634 59.678 61.300 0.019 0.000 1.420 162 I CB -0.175 37.853 38.000 0.047 0.000 1.387 162 I HN 0.209 nan 8.210 nan 0.000 0.553 163 P HA -0.065 nan 4.420 nan 0.000 0.258 163 P C 0.141 177.517 177.300 0.127 0.000 1.172 163 P CA -0.122 63.023 63.100 0.075 0.000 0.762 163 P CB 0.374 32.117 31.700 0.071 0.000 0.764 164 K N 5.070 125.526 120.400 0.094 0.000 2.218 164 K HA -0.214 4.106 4.320 0.000 0.000 0.205 164 K C 1.882 178.547 176.600 0.109 0.000 1.046 164 K CA 1.532 57.875 56.287 0.092 0.000 0.933 164 K CB -0.605 31.930 32.500 0.058 0.000 0.728 164 K HN 0.307 nan 8.250 nan 0.000 0.454 165 R N 0.393 120.965 120.500 0.119 0.000 2.170 165 R HA -0.147 4.193 4.340 0.000 0.000 0.242 165 R C 0.225 176.625 176.300 0.167 0.000 1.145 165 R CA 0.821 56.994 56.100 0.122 0.000 0.984 165 R CB -0.185 30.190 30.300 0.125 0.000 0.869 165 R HN 0.547 nan 8.270 nan 0.000 0.455 166 W N 1.431 122.744 121.300 0.023 0.000 2.261 166 W HA 0.144 4.804 4.660 0.000 0.000 0.323 166 W C -0.588 175.946 176.519 0.026 0.000 1.243 166 W CA -0.043 57.319 57.345 0.029 0.000 1.210 166 W CB 0.828 30.306 29.460 0.030 0.000 1.149 166 W HN -0.001 nan 8.180 nan 0.000 0.562 167 K N 3.288 123.197 120.400 -0.818 0.000 2.625 167 K HA 0.183 4.504 4.320 0.000 0.000 0.190 167 K C 0.587 176.734 176.600 -0.756 0.000 1.174 167 K CA -0.271 55.676 56.287 -0.567 0.000 1.103 167 K CB 0.763 33.086 32.500 -0.294 0.000 0.900 167 K HN 0.486 nan 8.250 nan 0.000 0.540 168 G N 1.694 109.556 108.800 -1.563 0.000 2.554 168 G HA2 0.235 4.195 3.960 0.000 0.000 0.238 168 G HA3 0.235 4.195 3.960 0.000 0.000 0.238 168 G C 0.314 175.132 174.900 -0.137 0.000 1.259 168 G CA -0.405 44.225 45.100 -0.783 0.000 0.843 168 G HN 0.312 nan 8.290 nan 0.000 0.582 169 I N -1.552 118.993 120.570 -0.042 0.000 2.664 169 I HA 0.519 4.689 4.170 0.000 0.000 0.308 169 I C -0.219 175.938 176.117 0.068 0.000 0.984 169 I CA -1.033 60.273 61.300 0.010 0.000 1.213 169 I CB 1.940 39.920 38.000 -0.034 0.000 1.379 169 I HN 0.341 nan 8.210 nan 0.000 0.501 170 c N 5.112 123.760 118.600 0.081 0.000 2.364 170 c HA 0.311 4.881 4.570 0.000 0.000 0.405 170 c C 0.583 174.743 174.090 0.116 0.000 1.122 170 c CA -0.659 55.744 56.329 0.123 0.000 1.601 170 c CB -1.537 41.067 42.510 0.155 0.000 1.601 170 c HN 0.854 nan 8.230 nan 0.000 0.509 171 K N 4.292 124.717 120.400 0.042 0.000 2.436 171 K HA 0.164 4.485 4.320 0.000 0.000 0.282 171 K C -2.103 174.583 176.600 0.143 0.000 1.044 171 K CA -0.579 55.729 56.287 0.035 0.000 1.028 171 K CB 0.556 32.999 32.500 -0.095 0.000 0.919 171 K HN 0.363 nan 8.250 nan 0.000 0.474 172 P HA 0.197 nan 4.420 nan 0.000 0.271 172 P C -0.368 177.047 177.300 0.192 0.000 1.233 172 P CA -0.346 62.864 63.100 0.183 0.000 0.789 172 P CB 1.092 32.859 31.700 0.110 0.000 0.951 173 G N -0.975 107.904 108.800 0.131 0.000 2.340 173 G HA2 0.286 4.246 3.960 0.000 0.000 0.299 173 G HA3 0.286 4.246 3.960 0.000 0.000 0.299 173 G C -1.210 173.698 174.900 0.013 0.000 1.291 173 G CA -0.566 44.552 45.100 0.030 0.000 0.841 173 G HN 0.387 nan 8.290 nan 0.000 0.500 174 T N 1.475 116.004 114.554 -0.043 0.000 2.905 174 T HA 0.221 4.571 4.350 0.000 0.000 0.299 174 T C 0.821 175.524 174.700 0.005 0.000 1.024 174 T CA 1.284 63.374 62.100 -0.017 0.000 1.151 174 T CB 0.275 69.127 68.868 -0.027 0.000 0.987 174 T HN 0.685 nan 8.240 nan 0.000 0.535 175 Q N 0.365 120.165 119.800 -0.000 0.000 2.385 175 Q HA -0.220 4.120 4.340 0.000 0.000 0.311 175 Q C -0.577 175.417 176.000 -0.009 0.000 1.259 175 Q CA 0.659 56.444 55.803 -0.031 0.000 0.921 175 Q CB -1.444 27.258 28.738 -0.059 0.000 1.209 175 Q HN 0.661 nan 8.270 nan 0.000 0.473 176 F N 1.021 120.890 119.950 -0.136 0.000 3.055 176 F HA 0.288 4.815 4.527 0.000 0.000 0.358 176 F C -0.637 175.112 175.800 -0.086 0.000 1.262 176 F CA -1.106 56.810 58.000 -0.141 0.000 1.172 176 F CB 0.862 39.758 39.000 -0.174 0.000 1.503 176 F HN 0.139 nan 8.300 nan 0.000 0.621 177 N N 3.185 121.865 118.700 -0.032 0.000 2.459 177 N HA 0.552 5.292 4.740 0.000 0.000 0.288 177 N C 0.223 175.757 175.510 0.040 0.000 1.186 177 N CA -0.447 52.626 53.050 0.038 0.000 0.917 177 N CB 1.568 40.044 38.487 -0.019 0.000 1.219 177 N HN 0.442 nan 8.380 nan 0.000 0.525 178 A N -0.520 122.342 122.820 0.070 0.000 2.276 178 A HA -0.003 4.317 4.320 0.000 0.000 0.205 178 A C 1.010 178.609 177.584 0.026 0.000 1.234 178 A CA 0.927 53.010 52.037 0.076 0.000 0.797 178 A CB -1.334 17.702 19.000 0.059 0.000 0.769 178 A HN 0.767 nan 8.150 nan 0.000 0.491 179 S N -2.904 112.776 115.700 -0.033 0.000 2.629 179 S HA 0.214 4.684 4.470 0.000 0.000 0.236 179 S C 1.145 175.678 174.600 -0.112 0.000 1.010 179 S CA 0.200 58.367 58.200 -0.054 0.000 0.981 179 S CB -0.152 63.014 63.200 -0.056 0.000 0.919 179 S HN 0.257 nan 8.310 nan 0.000 0.514 180 M N 1.675 121.157 119.600 -0.196 0.000 2.492 180 M HA 0.335 4.816 4.480 0.000 0.000 0.262 180 M C 0.301 176.494 176.300 -0.179 0.000 1.090 180 M CA 0.072 55.156 55.300 -0.360 0.000 1.110 180 M CB -0.549 31.451 32.600 -0.999 0.000 1.407 180 M HN 0.417 nan 8.290 nan 0.000 0.470 181 c N 1.248 119.819 118.600 -0.047 0.000 2.443 181 c HA 0.589 5.159 4.570 0.000 0.000 0.369 181 c C 0.664 174.752 174.090 -0.003 0.000 1.241 181 c CA -0.833 55.501 56.329 0.009 0.000 2.413 181 c CB 0.431 42.983 42.510 0.070 0.000 2.451 181 c HN 0.708 nan 8.230 nan 0.000 0.595 182 N N 0.145 118.846 118.700 0.001 0.000 3.574 182 N HA 0.317 5.057 4.740 0.000 0.000 0.340 182 N C 0.000 175.506 175.510 -0.006 0.000 1.650 182 N CA -0.888 52.163 53.050 0.001 0.000 0.762 182 N CB 0.318 38.806 38.487 0.002 0.000 2.206 182 N HN 0.438 nan 8.380 nan 0.000 0.621 183 R N -0.897 119.599 120.500 -0.007 0.000 2.323 183 R HA 0.098 4.438 4.340 0.000 0.000 0.198 183 R C 0.777 177.053 176.300 -0.040 0.000 0.988 183 R CA 0.680 56.767 56.100 -0.022 0.000 1.041 183 R CB -0.088 30.205 30.300 -0.011 0.000 0.926 183 R HN 0.573 nan 8.270 nan 0.000 0.476 184 K N 1.121 121.508 120.400 -0.022 0.000 2.274 184 K HA 0.112 4.432 4.320 0.000 0.000 0.219 184 K C 0.799 177.376 176.600 -0.038 0.000 1.058 184 K CA 0.172 56.450 56.287 -0.015 0.000 0.920 184 K CB 0.073 32.599 32.500 0.044 0.000 1.124 184 K HN 0.005 nan 8.250 nan 0.000 0.464 185 L N 4.523 125.738 121.223 -0.014 0.000 2.395 185 L HA 0.237 4.577 4.340 0.000 0.000 0.268 185 L C 0.615 177.447 176.870 -0.064 0.000 1.223 185 L CA -0.072 54.735 54.840 -0.056 0.000 1.093 185 L CB 0.061 42.088 42.059 -0.054 0.000 1.349 185 L HN 0.536 nan 8.230 nan 0.000 0.427 186 I N -0.298 120.185 120.570 -0.145 0.000 3.564 186 I HA 0.333 4.503 4.170 0.000 0.000 0.294 186 I C 0.603 176.732 176.117 0.019 0.000 1.289 186 I CA 0.115 61.324 61.300 -0.151 0.000 1.325 186 I CB -0.054 37.678 38.000 -0.447 0.000 1.039 186 I HN 0.484 nan 8.210 nan 0.000 0.474 187 G N 1.050 109.859 108.800 0.014 0.000 2.768 187 G HA2 0.707 4.667 3.960 0.000 0.000 0.297 187 G HA3 0.707 4.667 3.960 0.000 0.000 0.297 187 G C -1.688 173.197 174.900 -0.026 0.000 1.430 187 G CA -0.154 45.038 45.100 0.154 0.000 1.030 187 G HN 0.355 nan 8.290 nan 0.000 0.553 188 A N 2.026 124.826 122.820 -0.032 0.000 2.385 188 A HA 0.817 5.137 4.320 0.000 0.000 0.290 188 A C -1.004 176.470 177.584 -0.183 0.000 1.094 188 A CA -0.738 51.212 52.037 -0.144 0.000 0.729 188 A CB 1.730 20.681 19.000 -0.081 0.000 1.194 188 A HN 0.640 nan 8.150 nan 0.000 0.442 189 N N 0.932 119.496 118.700 -0.226 0.000 2.277 189 N HA 0.708 5.448 4.740 0.000 0.000 0.286 189 N C -1.602 173.867 175.510 -0.067 0.000 1.140 189 N CA -0.242 52.687 53.050 -0.201 0.000 0.799 189 N CB 2.108 40.490 38.487 -0.175 0.000 1.596 189 N HN 0.622 nan 8.380 nan 0.000 0.473 190 Y N -0.232 119.797 120.300 -0.452 0.000 2.581 190 Y HA 0.815 5.365 4.550 0.000 0.000 0.345 190 Y C -1.609 173.986 175.900 -0.509 0.000 1.036 190 Y CA -1.335 56.654 58.100 -0.185 0.000 1.042 190 Y CB 1.054 39.534 38.460 0.034 0.000 1.289 190 Y HN 0.213 nan 8.280 nan 0.000 0.471 191 F N 1.906 122.102 119.950 0.410 0.000 2.671 191 F HA 0.360 4.888 4.527 0.000 0.000 0.332 191 F C -0.319 175.629 175.800 0.247 0.000 1.189 191 F CA -1.172 56.962 58.000 0.223 0.000 0.988 191 F CB 1.617 40.734 39.000 0.195 0.000 1.258 191 F HN 0.628 nan 8.300 nan 0.000 0.471 192 N N 0.292 119.062 118.700 0.117 0.000 2.160 192 N HA 0.092 4.832 4.740 0.000 0.000 0.226 192 N C 0.757 176.185 175.510 -0.136 0.000 1.256 192 N CA -0.310 52.638 53.050 -0.171 0.000 0.890 192 N CB 0.133 38.298 38.487 -0.537 0.000 1.116 192 N HN 0.386 nan 8.380 nan 0.000 0.517 193 K N 0.511 120.882 120.400 -0.048 0.000 2.103 193 K HA -0.042 4.278 4.320 0.000 0.000 0.207 193 K C 1.874 178.378 176.600 -0.161 0.000 1.048 193 K CA 1.581 57.818 56.287 -0.084 0.000 0.930 193 K CB -0.373 32.108 32.500 -0.032 0.000 0.716 193 K HN 0.379 nan 8.250 nan 0.000 0.444 194 G N 1.686 110.389 108.800 -0.162 0.000 2.440 194 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 194 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 194 G C 1.516 175.901 174.900 -0.858 0.000 1.154 194 G CA 0.720 45.596 45.100 -0.373 0.000 0.767 194 G HN 0.145 nan 8.290 nan 0.000 0.552 195 I N 0.342 120.540 120.570 -0.620 0.000 2.142 195 I HA -0.140 4.030 4.170 0.000 0.000 0.240 195 I C 2.766 178.660 176.117 -0.373 0.000 1.078 195 I CA 0.834 61.808 61.300 -0.544 0.000 1.343 195 I CB -0.323 37.555 38.000 -0.203 0.000 1.046 195 I HN 0.129 nan 8.210 nan 0.000 0.405 196 L N 0.631 121.696 121.223 -0.262 0.000 2.017 196 L HA -0.188 4.152 4.340 0.000 0.000 0.208 196 L C 2.924 179.693 176.870 -0.169 0.000 1.073 196 L CA 1.379 56.114 54.840 -0.175 0.000 0.745 196 L CB -0.922 41.056 42.059 -0.135 0.000 0.894 196 L HN 0.246 nan 8.230 nan 0.000 0.432 197 A N 0.645 123.346 122.820 -0.198 0.000 1.948 197 A HA -0.300 4.020 4.320 0.000 0.000 0.220 197 A C 2.036 179.520 177.584 -0.167 0.000 1.177 197 A CA 2.417 54.356 52.037 -0.162 0.000 0.636 197 A CB -0.908 17.996 19.000 -0.159 0.000 0.815 197 A HN 0.548 nan 8.150 nan 0.000 0.449 198 N N -0.937 117.600 118.700 -0.272 0.000 2.244 198 N HA -0.107 4.633 4.740 0.000 0.000 0.183 198 N C -0.352 175.112 175.510 -0.076 0.000 1.016 198 N CA 1.515 54.453 53.050 -0.187 0.000 0.866 198 N CB 0.134 38.428 38.487 -0.322 0.000 0.980 198 N HN 0.314 nan 8.380 nan 0.000 0.430 199 D N -2.067 118.279 120.400 -0.090 0.000 2.491 199 D HA 0.164 4.804 4.640 0.000 0.000 0.232 199 D C -2.505 173.766 176.300 -0.050 0.000 1.334 199 D CA -1.185 52.791 54.000 -0.040 0.000 0.909 199 D CB 0.821 41.621 40.800 0.001 0.000 1.513 199 D HN -0.040 nan 8.370 nan 0.000 0.514 200 P HA -0.000 nan 4.420 nan 0.000 0.231 200 P C 1.114 178.395 177.300 -0.033 0.000 1.158 200 P CA 0.705 63.776 63.100 -0.049 0.000 0.763 200 P CB 0.333 32.007 31.700 -0.043 0.000 0.805 201 T N -0.897 113.644 114.554 -0.022 0.000 3.160 201 T HA 0.064 4.414 4.350 0.000 0.000 0.257 201 T C 0.708 175.403 174.700 -0.008 0.000 1.147 201 T CA 0.264 62.357 62.100 -0.012 0.000 1.064 201 T CB -0.354 68.511 68.868 -0.005 0.000 0.949 201 T HN -0.127 nan 8.240 nan 0.000 0.526 202 V N 3.069 122.974 119.914 -0.014 0.000 2.546 202 V HA 0.278 4.399 4.120 0.000 0.000 0.284 202 V C 0.126 176.213 176.094 -0.012 0.000 1.050 202 V CA -0.963 61.333 62.300 -0.007 0.000 0.981 202 V CB 1.208 33.027 31.823 -0.007 0.000 0.990 202 V HN 0.234 nan 8.190 nan 0.000 0.474 203 N N 4.454 123.154 118.700 -0.000 0.000 2.678 203 N HA 0.397 5.137 4.740 0.000 0.000 0.231 203 N C -0.315 175.200 175.510 0.008 0.000 1.038 203 N CA -0.212 52.838 53.050 0.001 0.000 0.932 203 N CB 0.799 39.291 38.487 0.007 0.000 1.176 203 N HN 0.568 nan 8.380 nan 0.000 0.511 204 I N 1.410 121.976 120.570 -0.006 0.000 2.578 204 I HA -0.086 4.084 4.170 0.000 0.000 0.286 204 I C 1.589 177.726 176.117 0.034 0.000 1.126 204 I CA 0.255 61.559 61.300 0.007 0.000 1.380 204 I CB 0.341 38.310 38.000 -0.052 0.000 1.408 204 I HN 0.358 nan 8.210 nan 0.000 0.532 205 T N 5.408 119.996 114.554 0.057 0.000 2.737 205 T HA -0.140 4.210 4.350 0.000 0.000 0.265 205 T C 0.967 175.699 174.700 0.052 0.000 1.038 205 T CA 1.266 63.398 62.100 0.052 0.000 1.144 205 T CB -0.089 68.814 68.868 0.058 0.000 0.866 205 T HN 0.426 nan 8.240 nan 0.000 0.434 206 M N 2.701 122.350 119.600 0.081 0.000 2.901 206 M HA 0.371 4.851 4.480 0.000 0.000 0.294 206 M C -0.343 175.995 176.300 0.064 0.000 1.255 206 M CA -0.918 54.413 55.300 0.052 0.000 1.274 206 M CB -0.174 32.452 32.600 0.044 0.000 1.173 206 M HN -0.221 nan 8.290 nan 0.000 0.525 207 N N 2.022 120.724 118.700 0.003 0.000 3.193 207 N HA 0.179 4.919 4.740 0.000 0.000 0.312 207 N C -1.189 174.074 175.510 -0.413 0.000 1.261 207 N CA 0.302 53.327 53.050 -0.041 0.000 1.208 207 N CB -0.065 38.419 38.487 -0.005 0.000 1.471 207 N HN 0.709 nan 8.380 nan 0.000 0.548 208 S N -1.332 113.983 115.700 -0.643 0.000 2.714 208 S HA 0.509 4.980 4.470 0.000 0.000 0.280 208 S C 0.410 174.455 174.600 -0.924 0.000 1.200 208 S CA -0.250 57.121 58.200 -1.382 0.000 0.900 208 S CB 0.195 62.965 63.200 -0.717 0.000 1.235 208 S HN 0.036 nan 8.310 nan 0.000 0.512 209 A N 0.131 122.422 122.820 -0.880 0.000 2.208 209 A HA 0.299 4.619 4.320 0.000 0.000 0.209 209 A C 1.121 178.462 177.584 -0.406 0.000 1.161 209 A CA 0.358 52.053 52.037 -0.569 0.000 0.782 209 A CB -0.672 17.968 19.000 -0.600 0.000 0.816 209 A HN 0.722 nan 8.150 nan 0.000 0.477 210 R N 1.258 121.567 120.500 -0.318 0.000 2.484 210 R HA 0.038 4.378 4.340 0.000 0.000 0.293 210 R C -0.980 175.287 176.300 -0.055 0.000 1.023 210 R CA -0.150 55.904 56.100 -0.077 0.000 1.037 210 R CB 0.167 30.447 30.300 -0.033 0.000 0.951 210 R HN 0.207 nan 8.270 nan 0.000 0.418 211 D N 2.761 123.195 120.400 0.056 0.000 2.348 211 D HA -0.009 4.631 4.640 0.000 0.000 0.253 211 D C 0.352 176.735 176.300 0.138 0.000 1.161 211 D CA 0.079 54.113 54.000 0.058 0.000 0.876 211 D CB 1.418 42.263 40.800 0.077 0.000 1.160 211 D HN 0.655 nan 8.370 nan 0.000 0.459 212 T N -0.069 114.511 114.554 0.044 0.000 3.182 212 T HA 0.112 4.463 4.350 0.000 0.000 0.277 212 T C 0.624 175.323 174.700 -0.002 0.000 1.013 212 T CA -0.327 61.805 62.100 0.054 0.000 0.900 212 T CB 0.229 69.135 68.868 0.064 0.000 1.098 212 T HN 0.390 nan 8.240 nan 0.000 0.543 213 D N 0.218 120.599 120.400 -0.032 0.000 2.766 213 D HA 0.238 4.878 4.640 0.000 0.000 0.284 213 D C 1.703 177.937 176.300 -0.110 0.000 1.050 213 D CA 1.333 55.318 54.000 -0.024 0.000 0.945 213 D CB 0.699 41.509 40.800 0.017 0.000 1.272 213 D HN 0.495 nan 8.370 nan 0.000 0.482 214 G N 0.774 109.480 108.800 -0.157 0.000 2.436 214 G HA2 -0.269 3.691 3.960 0.000 0.000 0.204 214 G HA3 -0.269 3.691 3.960 0.000 0.000 0.204 214 G C 1.170 176.084 174.900 0.024 0.000 1.026 214 G CA 0.492 45.365 45.100 -0.378 0.000 0.658 214 G HN 0.428 nan 8.290 nan 0.000 0.499 215 H N 1.468 120.566 119.070 0.047 0.000 2.357 215 H HA -0.154 4.402 4.556 0.000 0.000 0.296 215 H C 2.723 178.136 175.328 0.141 0.000 1.108 215 H CA 2.955 59.064 56.048 0.101 0.000 1.273 215 H CB -0.551 29.231 29.762 0.034 0.000 1.367 215 H HN 0.507 nan 8.280 nan 0.000 0.498 216 G N -1.038 107.897 108.800 0.225 0.000 2.402 216 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 216 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 216 G C 1.825 176.811 174.900 0.144 0.000 1.162 216 G CA 1.124 46.330 45.100 0.177 0.000 0.777 216 G HN 0.392 nan 8.290 nan 0.000 0.539 217 T N -0.278 114.362 114.554 0.144 0.000 2.777 217 T HA -0.081 4.269 4.350 0.000 0.000 0.266 217 T C 2.033 176.905 174.700 0.287 0.000 1.040 217 T CA 1.474 63.711 62.100 0.228 0.000 1.141 217 T CB -0.314 68.677 68.868 0.205 0.000 0.868 217 T HN 0.483 nan 8.240 nan 0.000 0.444 218 H N -0.100 119.056 119.070 0.144 0.000 2.352 218 H HA -0.076 4.481 4.556 0.000 0.000 0.299 218 H C 2.301 177.671 175.328 0.070 0.000 1.097 218 H CA 1.726 57.847 56.048 0.121 0.000 1.311 218 H CB -0.476 29.357 29.762 0.118 0.000 1.377 218 H HN 0.328 nan 8.280 nan 0.000 0.504 219 C N 0.076 119.469 119.300 0.155 0.000 2.446 219 C HA 0.011 4.471 4.460 0.000 0.000 0.277 219 C C 3.083 178.130 174.990 0.095 0.000 1.275 219 C CA 0.832 59.905 59.018 0.092 0.000 1.727 219 C CB -1.210 26.587 27.740 0.096 0.000 2.010 219 C HN 0.782 nan 8.230 nan 0.000 0.486 220 A N 1.508 124.422 122.820 0.158 0.000 1.902 220 A HA -0.184 4.136 4.320 0.000 0.000 0.217 220 A C 2.302 180.051 177.584 0.276 0.000 1.181 220 A CA 2.543 54.700 52.037 0.200 0.000 0.623 220 A CB -0.889 18.196 19.000 0.141 0.000 0.818 220 A HN 0.713 nan 8.150 nan 0.000 0.443 221 S N 0.035 115.897 115.700 0.270 0.000 2.383 221 S HA -0.081 4.389 4.470 0.000 0.000 0.227 221 S C 1.874 176.437 174.600 -0.062 0.000 1.026 221 S CA 1.287 59.506 58.200 0.032 0.000 0.981 221 S CB -0.753 62.349 63.200 -0.163 0.000 0.818 221 S HN 0.476 nan 8.310 nan 0.000 0.472 222 I N 1.473 121.980 120.570 -0.105 0.000 2.286 222 I HA -0.162 4.009 4.170 0.000 0.000 0.248 222 I C 2.970 178.966 176.117 -0.201 0.000 1.115 222 I CA 1.685 62.866 61.300 -0.198 0.000 1.392 222 I CB -0.635 37.219 38.000 -0.244 0.000 1.065 222 I HN 0.404 nan 8.210 nan 0.000 0.418 223 T N -0.686 113.810 114.554 -0.096 0.000 2.937 223 T HA 0.175 4.525 4.350 0.000 0.000 0.260 223 T C 0.990 175.668 174.700 -0.038 0.000 1.051 223 T CA 1.306 63.370 62.100 -0.060 0.000 1.141 223 T CB 0.136 69.005 68.868 0.001 0.000 0.879 223 T HN 0.422 nan 8.240 nan 0.000 0.459 224 A N 0.037 122.845 122.820 -0.020 0.000 2.639 224 A HA 0.594 4.914 4.320 0.000 0.000 0.221 224 A C 0.663 178.225 177.584 -0.037 0.000 0.879 224 A CA 0.031 52.043 52.037 -0.040 0.000 1.189 224 A CB -0.204 18.783 19.000 -0.022 0.000 1.231 224 A HN 0.474 nan 8.150 nan 0.000 0.457 225 G N 0.621 109.383 108.800 -0.063 0.000 2.380 225 G HA2 0.318 4.278 3.960 0.000 0.000 0.242 225 G HA3 0.318 4.278 3.960 0.000 0.000 0.242 225 G C 0.070 174.850 174.900 -0.201 0.000 1.298 225 G CA -0.052 44.968 45.100 -0.132 0.000 0.878 225 G HN 0.328 nan 8.290 nan 0.000 0.542 226 N N 0.435 119.036 118.700 -0.165 0.000 2.424 226 N HA 0.184 4.925 4.740 0.000 0.000 0.257 226 N C 0.085 175.494 175.510 -0.170 0.000 1.250 226 N CA -0.687 52.265 53.050 -0.162 0.000 0.946 226 N CB 0.132 38.602 38.487 -0.028 0.000 1.175 226 N HN 0.247 nan 8.380 nan 0.000 0.477 227 F N 0.630 120.548 119.950 -0.052 0.000 2.602 227 F HA 0.186 4.713 4.527 0.000 0.000 0.385 227 F C 0.989 176.758 175.800 -0.051 0.000 1.063 227 F CA 0.008 57.983 58.000 -0.041 0.000 1.233 227 F CB 0.065 39.046 39.000 -0.032 0.000 1.067 227 F HN 0.321 nan 8.300 nan 0.000 0.564 228 A N 5.097 127.963 122.820 0.077 0.000 2.340 228 A HA 0.459 4.779 4.320 0.000 0.000 0.297 228 A C -0.380 177.169 177.584 -0.058 0.000 1.195 228 A CA -1.044 50.982 52.037 -0.018 0.000 0.769 228 A CB 0.679 19.617 19.000 -0.103 0.000 1.163 228 A HN 0.536 nan 8.150 nan 0.000 0.472 229 K N 1.006 121.387 120.400 -0.031 0.000 2.326 229 K HA 0.342 4.662 4.320 0.000 0.000 0.275 229 K C 1.023 177.571 176.600 -0.087 0.000 1.018 229 K CA 0.950 57.213 56.287 -0.041 0.000 0.962 229 K CB 0.819 33.306 32.500 -0.023 0.000 0.953 229 K HN 1.648 nan 8.250 nan 0.000 0.475 230 G N 1.134 109.885 108.800 -0.081 0.000 2.386 230 G HA2 -0.213 3.747 3.960 0.000 0.000 0.295 230 G HA3 -0.213 3.747 3.960 0.000 0.000 0.295 230 G C 0.075 174.891 174.900 -0.139 0.000 0.979 230 G CA 0.662 45.708 45.100 -0.090 0.000 1.193 230 G HN 0.456 nan 8.290 nan 0.000 0.508 231 V N -2.437 117.351 119.914 -0.210 0.000 3.103 231 V HA 1.037 5.157 4.120 0.000 0.000 0.318 231 V C 0.190 176.166 176.094 -0.197 0.000 1.114 231 V CA 0.093 62.213 62.300 -0.300 0.000 1.020 231 V CB 2.137 33.511 31.823 -0.748 0.000 1.085 231 V HN 2.066 nan 8.190 nan 0.000 0.446 232 S N 0.080 115.690 115.700 -0.150 0.000 2.643 232 S HA 0.395 4.865 4.470 0.000 0.000 0.266 232 S C -1.130 173.455 174.600 -0.026 0.000 1.130 232 S CA -0.361 57.811 58.200 -0.047 0.000 0.817 232 S CB 0.930 64.108 63.200 -0.038 0.000 1.107 232 S HN 1.681 nan 8.310 nan 0.000 0.471 233 H N 0.805 119.853 119.070 -0.037 0.000 2.821 233 H HA 0.538 5.094 4.556 0.000 0.000 0.262 233 H C -0.576 174.821 175.328 0.116 0.000 1.402 233 H CA -0.576 55.444 56.048 -0.048 0.000 1.293 233 H CB -1.041 28.720 29.762 -0.001 0.000 1.533 233 H HN 0.607 nan 8.280 nan 0.000 0.528 234 F N 3.124 122.966 119.950 -0.179 0.000 3.067 234 F HA -0.298 4.229 4.527 0.000 0.000 0.279 234 F C 1.634 177.393 175.800 -0.069 0.000 0.945 234 F CA 1.193 59.106 58.000 -0.144 0.000 0.948 234 F CB -1.511 37.352 39.000 -0.229 0.000 0.898 234 F HN 0.889 nan 8.300 nan 0.000 0.746 235 G N -2.498 106.300 108.800 -0.002 0.000 2.258 235 G HA2 -0.336 3.625 3.960 0.000 0.000 0.233 235 G HA3 -0.336 3.625 3.960 0.000 0.000 0.233 235 G C 0.061 174.841 174.900 -0.199 0.000 1.006 235 G CA -0.094 44.921 45.100 -0.142 0.000 0.620 235 G HN 0.504 nan 8.290 nan 0.000 0.511 236 Y N 0.126 120.449 120.300 0.038 0.000 2.307 236 Y HA 0.498 5.048 4.550 0.000 0.000 0.324 236 Y C 1.289 177.245 175.900 0.093 0.000 1.238 236 Y CA 0.367 58.486 58.100 0.031 0.000 1.280 236 Y CB 1.533 39.849 38.460 -0.240 0.000 1.248 236 Y HN 1.302 nan 8.280 nan 0.000 0.508 237 A N 1.364 124.417 122.820 0.389 0.000 2.687 237 A HA -0.167 4.153 4.320 0.000 0.000 0.299 237 A C -2.586 175.078 177.584 0.134 0.000 1.497 237 A CA -0.147 52.071 52.037 0.302 0.000 0.751 237 A CB -2.274 16.955 19.000 0.382 0.000 1.048 237 A HN 0.403 nan 8.150 nan 0.000 0.464 238 P HA 0.553 nan 4.420 nan 0.000 0.274 238 P C 0.800 178.100 177.300 -0.000 0.000 1.237 238 P CA 1.107 64.208 63.100 0.002 0.000 0.793 238 P CB 1.431 33.114 31.700 -0.029 0.000 0.977 239 G N 0.358 109.142 108.800 -0.027 0.000 2.302 239 G HA2 0.085 4.045 3.960 0.000 0.000 0.264 239 G HA3 0.085 4.045 3.960 0.000 0.000 0.264 239 G C -1.416 173.465 174.900 -0.033 0.000 1.335 239 G CA -0.597 44.497 45.100 -0.010 0.000 0.982 239 G HN 0.504 nan 8.290 nan 0.000 0.473 240 T N 1.367 115.929 114.554 0.014 0.000 2.749 240 T HA 0.692 5.042 4.350 0.000 0.000 0.287 240 T C 0.546 175.263 174.700 0.029 0.000 0.970 240 T CA 0.674 62.789 62.100 0.024 0.000 0.980 240 T CB 1.171 70.109 68.868 0.117 0.000 0.924 240 T HN 1.413 nan 8.240 nan 0.000 0.456 241 A N 4.473 127.253 122.820 -0.066 0.000 2.316 241 A HA 0.848 5.168 4.320 0.000 0.000 0.284 241 A C 0.253 177.797 177.584 -0.068 0.000 1.115 241 A CA -0.723 51.276 52.037 -0.064 0.000 0.812 241 A CB 0.514 19.424 19.000 -0.151 0.000 1.064 241 A HN 0.815 nan 8.150 nan 0.000 0.489 242 R N 1.489 121.939 120.500 -0.085 0.000 2.634 242 R HA 0.469 4.809 4.340 0.000 0.000 0.263 242 R C -0.203 176.014 176.300 -0.139 0.000 1.060 242 R CA 0.026 55.986 56.100 -0.234 0.000 0.898 242 R CB 0.225 30.200 30.300 -0.543 0.000 1.253 242 R HN 1.135 nan 8.270 nan 0.000 0.461 243 G N 0.202 108.894 108.800 -0.179 0.000 2.594 243 G HA2 0.218 4.178 3.960 0.000 0.000 0.243 243 G HA3 0.218 4.178 3.960 0.000 0.000 0.243 243 G C 0.713 175.603 174.900 -0.017 0.000 1.229 243 G CA -0.140 44.897 45.100 -0.106 0.000 0.843 243 G HN 0.449 nan 8.290 nan 0.000 0.578 244 V N 0.880 120.817 119.914 0.040 0.000 2.828 244 V HA 0.131 4.251 4.120 0.000 0.000 0.260 244 V C 1.647 177.882 176.094 0.235 0.000 1.101 244 V CA 2.276 64.700 62.300 0.206 0.000 1.123 244 V CB -0.589 31.354 31.823 0.201 0.000 0.704 244 V HN 0.977 nan 8.190 nan 0.000 0.493 245 A N -0.327 122.508 122.820 0.025 0.000 2.893 245 A HA 0.659 4.979 4.320 0.000 0.000 0.333 245 A C -1.635 175.806 177.584 -0.240 0.000 1.152 245 A CA -0.856 51.117 52.037 -0.108 0.000 0.782 245 A CB 0.731 19.701 19.000 -0.050 0.000 1.108 245 A HN 0.336 nan 8.150 nan 0.000 0.469 246 P HA -0.129 nan 4.420 nan 0.000 0.222 246 P C 0.896 178.006 177.300 -0.316 0.000 1.142 246 P CA 1.238 64.034 63.100 -0.506 0.000 0.788 246 P CB 0.169 31.318 31.700 -0.918 0.000 0.767 247 R N -1.812 118.531 120.500 -0.262 0.000 2.596 247 R HA 0.413 4.753 4.340 0.000 0.000 0.369 247 R C 0.303 176.527 176.300 -0.125 0.000 1.042 247 R CA -0.336 55.669 56.100 -0.158 0.000 1.120 247 R CB 0.697 30.914 30.300 -0.140 0.000 1.353 247 R HN 0.057 nan 8.270 nan 0.000 0.564 248 A N 1.887 124.632 122.820 -0.124 0.000 2.425 248 A HA 0.314 4.634 4.320 0.000 0.000 0.249 248 A C 0.116 177.645 177.584 -0.092 0.000 1.084 248 A CA -0.359 51.621 52.037 -0.094 0.000 0.781 248 A CB 0.425 19.381 19.000 -0.072 0.000 1.019 248 A HN 0.077 nan 8.150 nan 0.000 0.490 249 R N 1.225 121.655 120.500 -0.118 0.000 2.490 249 R HA 0.364 4.704 4.340 0.000 0.000 0.280 249 R C -0.771 175.431 176.300 -0.164 0.000 1.077 249 R CA -0.271 55.729 56.100 -0.167 0.000 1.065 249 R CB 0.062 30.201 30.300 -0.268 0.000 1.003 249 R HN 0.654 nan 8.270 nan 0.000 0.470 250 L N 1.600 122.733 121.223 -0.150 0.000 2.282 250 L HA 0.502 4.842 4.340 0.000 0.000 0.288 250 L C -0.044 176.724 176.870 -0.170 0.000 1.033 250 L CA -0.748 54.026 54.840 -0.111 0.000 0.807 250 L CB 1.760 43.785 42.059 -0.057 0.000 1.209 250 L HN 0.639 nan 8.230 nan 0.000 0.423 251 A N 4.496 127.258 122.820 -0.097 0.000 2.323 251 A HA 0.615 4.935 4.320 0.000 0.000 0.305 251 A C -0.633 176.921 177.584 -0.051 0.000 1.275 251 A CA -0.439 51.557 52.037 -0.067 0.000 0.804 251 A CB 0.994 20.065 19.000 0.119 0.000 1.152 251 A HN 0.394 nan 8.150 nan 0.000 0.487 252 V N 2.661 122.451 119.914 -0.207 0.000 2.546 252 V HA 0.331 4.451 4.120 0.000 0.000 0.284 252 V C -0.901 174.998 176.094 -0.325 0.000 1.050 252 V CA 0.133 62.346 62.300 -0.144 0.000 0.981 252 V CB 0.595 32.336 31.823 -0.137 0.000 0.990 252 V HN 0.722 nan 8.190 nan 0.000 0.474 253 Y N 3.316 123.731 120.300 0.192 0.000 2.445 253 Y HA 0.375 4.925 4.550 0.000 0.000 0.332 253 Y C 0.135 176.239 175.900 0.339 0.000 1.037 253 Y CA -0.702 57.603 58.100 0.342 0.000 1.296 253 Y CB 1.312 39.967 38.460 0.325 0.000 1.099 253 Y HN 0.497 nan 8.280 nan 0.000 0.496 254 K N 3.765 124.402 120.400 0.396 0.000 2.276 254 K HA 0.250 4.570 4.320 0.000 0.000 0.285 254 K C -0.121 176.731 176.600 0.421 0.000 1.062 254 K CA -0.209 56.191 56.287 0.187 0.000 0.918 254 K CB 0.303 32.729 32.500 -0.122 0.000 1.055 254 K HN 0.717 nan 8.250 nan 0.000 0.477 255 F N 1.011 121.071 119.950 0.184 0.000 2.767 255 F HA 0.322 4.849 4.527 0.000 0.000 0.323 255 F C 0.079 176.033 175.800 0.256 0.000 1.091 255 F CA -0.801 57.377 58.000 0.296 0.000 1.192 255 F CB 0.600 39.671 39.000 0.119 0.000 1.056 255 F HN 0.246 nan 8.300 nan 0.000 0.571 256 S N 1.194 116.496 115.700 -0.664 0.000 2.448 256 S HA 0.613 5.083 4.470 0.000 0.000 0.320 256 S C -1.111 173.319 174.600 -0.283 0.000 1.071 256 S CA -0.360 57.550 58.200 -0.483 0.000 1.113 256 S CB -0.082 62.670 63.200 -0.748 0.000 0.972 256 S HN 0.171 nan 8.310 nan 0.000 0.465 257 F N 3.295 123.230 119.950 -0.026 0.000 2.523 257 F HA 0.487 5.014 4.527 0.000 0.000 0.329 257 F C 1.751 177.568 175.800 0.028 0.000 1.061 257 F CA -1.090 56.920 58.000 0.017 0.000 0.967 257 F CB 1.025 40.060 39.000 0.060 0.000 1.218 257 F HN 0.593 nan 8.300 nan 0.000 0.480 258 N N 0.593 119.410 118.700 0.196 0.000 2.137 258 N HA -0.207 4.534 4.740 0.000 0.000 0.190 258 N C 0.994 176.590 175.510 0.143 0.000 1.017 258 N CA 1.620 54.748 53.050 0.130 0.000 0.859 258 N CB 0.180 38.729 38.487 0.103 0.000 1.002 258 N HN 0.661 nan 8.380 nan 0.000 0.428 259 E N -0.434 119.879 120.200 0.188 0.000 2.358 259 E HA 0.177 4.527 4.350 0.000 0.000 0.195 259 E C 0.505 177.214 176.600 0.180 0.000 1.010 259 E CA 0.395 56.885 56.400 0.150 0.000 0.856 259 E CB 0.269 30.038 29.700 0.116 0.000 0.795 259 E HN 0.478 nan 8.360 nan 0.000 0.504 260 G N -1.494 107.442 108.800 0.226 0.000 2.328 260 G HA2 0.288 4.249 3.960 0.000 0.000 0.299 260 G HA3 0.288 4.249 3.960 0.000 0.000 0.299 260 G C -1.147 173.912 174.900 0.266 0.000 1.435 260 G CA -0.821 44.411 45.100 0.221 0.000 0.865 260 G HN -0.137 nan 8.290 nan 0.000 0.601 261 T N 0.840 115.465 114.554 0.120 0.000 2.965 261 T HA 0.597 4.947 4.350 0.000 0.000 0.306 261 T C -1.279 173.464 174.700 0.072 0.000 0.991 261 T CA -0.171 62.044 62.100 0.190 0.000 1.001 261 T CB 0.691 69.636 68.868 0.127 0.000 0.984 261 T HN 0.394 nan 8.240 nan 0.000 0.446 262 F N 1.285 121.377 119.950 0.236 0.000 2.469 262 F HA 0.373 4.900 4.527 0.000 0.000 0.332 262 F C 1.936 177.800 175.800 0.106 0.000 1.103 262 F CA -0.764 57.325 58.000 0.148 0.000 0.979 262 F CB 1.719 40.775 39.000 0.094 0.000 1.137 262 F HN 0.461 nan 8.300 nan 0.000 0.463 263 T N 0.607 115.237 114.554 0.128 0.000 2.624 263 T HA -0.242 4.108 4.350 0.000 0.000 0.268 263 T C 2.170 176.849 174.700 -0.035 0.000 1.041 263 T CA 2.412 64.478 62.100 -0.058 0.000 1.159 263 T CB -0.282 68.491 68.868 -0.158 0.000 0.863 263 T HN 0.712 nan 8.240 nan 0.000 0.434 264 S N 1.562 117.290 115.700 0.045 0.000 2.400 264 S HA -0.166 4.304 4.470 0.000 0.000 0.232 264 S C 1.668 176.267 174.600 -0.002 0.000 1.025 264 S CA 1.276 59.479 58.200 0.004 0.000 0.993 264 S CB -0.457 62.756 63.200 0.021 0.000 0.808 264 S HN 0.414 nan 8.310 nan 0.000 0.478 265 D N 1.389 121.845 120.400 0.092 0.000 2.144 265 D HA 0.002 4.642 4.640 0.000 0.000 0.200 265 D C 1.914 178.185 176.300 -0.049 0.000 0.978 265 D CA 0.733 54.812 54.000 0.131 0.000 0.833 265 D CB -0.444 40.561 40.800 0.341 0.000 0.961 265 D HN 0.362 nan 8.370 nan 0.000 0.470 266 L N 1.180 122.290 121.223 -0.189 0.000 1.994 266 L HA -0.115 4.225 4.340 0.000 0.000 0.208 266 L C 2.096 178.668 176.870 -0.496 0.000 1.071 266 L CA 1.470 55.891 54.840 -0.698 0.000 0.745 266 L CB -0.860 40.719 42.059 -0.800 0.000 0.892 266 L HN -0.021 nan 8.230 nan 0.000 0.431 267 I N -0.110 120.270 120.570 -0.316 0.000 2.179 267 I HA -0.296 3.874 4.170 0.000 0.000 0.242 267 I C 2.613 178.564 176.117 -0.277 0.000 1.088 267 I CA 1.240 62.388 61.300 -0.253 0.000 1.357 267 I CB -0.730 37.168 38.000 -0.169 0.000 1.051 267 I HN 0.392 nan 8.210 nan 0.000 0.409 268 A N 0.797 123.458 122.820 -0.264 0.000 1.940 268 A HA -0.193 4.127 4.320 0.000 0.000 0.219 268 A C 2.529 179.720 177.584 -0.655 0.000 1.176 268 A CA 1.965 53.827 52.037 -0.293 0.000 0.631 268 A CB -0.738 18.186 19.000 -0.126 0.000 0.814 268 A HN 0.462 nan 8.150 nan 0.000 0.446 269 A N -0.797 121.480 122.820 -0.904 0.000 1.873 269 A HA -0.070 4.250 4.320 0.000 0.000 0.215 269 A C 2.282 179.456 177.584 -0.684 0.000 1.186 269 A CA 1.706 53.030 52.037 -1.188 0.000 0.616 269 A CB -0.484 18.108 19.000 -0.679 0.000 0.823 269 A HN 0.502 nan 8.150 nan 0.000 0.442 270 M N -0.512 118.798 119.600 -0.484 0.000 2.099 270 M HA -0.154 4.326 4.480 0.000 0.000 0.262 270 M C 1.606 177.725 176.300 -0.302 0.000 1.067 270 M CA 1.758 56.843 55.300 -0.359 0.000 1.124 270 M CB -0.731 31.717 32.600 -0.254 0.000 1.353 270 M HN 0.344 nan 8.290 nan 0.000 0.410 271 D N 0.109 120.356 120.400 -0.255 0.000 2.133 271 D HA -0.225 4.415 4.640 0.000 0.000 0.195 271 D C 1.870 178.082 176.300 -0.147 0.000 0.997 271 D CA 1.389 55.288 54.000 -0.169 0.000 0.840 271 D CB -0.420 40.300 40.800 -0.134 0.000 0.947 271 D HN 0.303 nan 8.370 nan 0.000 0.452 272 Q N 0.591 120.287 119.800 -0.173 0.000 2.079 272 Q HA -0.015 4.325 4.340 0.000 0.000 0.200 272 Q C 1.929 177.873 176.000 -0.094 0.000 0.974 272 Q CA 1.817 57.598 55.803 -0.037 0.000 0.840 272 Q CB -0.454 28.401 28.738 0.195 0.000 0.898 272 Q HN 0.201 nan 8.270 nan 0.000 0.430 273 A N -0.523 122.049 122.820 -0.414 0.000 1.883 273 A HA -0.159 4.162 4.320 0.000 0.000 0.217 273 A C 2.279 179.794 177.584 -0.115 0.000 1.186 273 A CA 1.822 53.566 52.037 -0.487 0.000 0.624 273 A CB -1.008 17.512 19.000 -0.801 0.000 0.822 273 A HN 0.274 nan 8.150 nan 0.000 0.444 274 V N -0.138 119.701 119.914 -0.125 0.000 2.343 274 V HA -0.255 3.865 4.120 0.000 0.000 0.247 274 V C 3.038 179.119 176.094 -0.022 0.000 1.051 274 V CA 1.967 64.234 62.300 -0.054 0.000 1.036 274 V CB -1.256 30.523 31.823 -0.073 0.000 0.654 274 V HN 0.630 nan 8.190 nan 0.000 0.451 275 A N -0.195 122.605 122.820 -0.035 0.000 1.933 275 A HA -0.234 4.086 4.320 0.000 0.000 0.218 275 A C 1.905 179.477 177.584 -0.021 0.000 1.175 275 A CA 1.895 53.918 52.037 -0.024 0.000 0.628 275 A CB -0.576 18.409 19.000 -0.024 0.000 0.814 275 A HN 0.527 nan 8.150 nan 0.000 0.444 276 D N -1.141 119.259 120.400 -0.001 0.000 2.350 276 D HA 0.156 4.797 4.640 0.000 0.000 0.216 276 D C 1.426 177.725 176.300 -0.002 0.000 0.968 276 D CA 1.337 55.295 54.000 -0.069 0.000 0.894 276 D CB -0.167 40.640 40.800 0.013 0.000 0.909 276 D HN 0.662 nan 8.370 nan 0.000 0.520 277 G N -0.190 108.669 108.800 0.098 0.000 2.141 277 G HA2 -0.274 3.686 3.960 0.000 0.000 0.231 277 G HA3 -0.274 3.686 3.960 0.000 0.000 0.231 277 G C 0.448 175.495 174.900 0.246 0.000 0.984 277 G CA 0.141 45.328 45.100 0.146 0.000 0.660 277 G HN 0.293 nan 8.290 nan 0.000 0.525 278 V N 0.811 120.904 119.914 0.299 0.000 3.061 278 V HA 0.053 4.173 4.120 0.000 0.000 0.306 278 V C 1.560 177.740 176.094 0.142 0.000 1.118 278 V CA 1.237 63.693 62.300 0.261 0.000 1.231 278 V CB 0.825 32.786 31.823 0.230 0.000 0.956 278 V HN 0.386 nan 8.190 nan 0.000 0.499 279 D N 1.557 122.021 120.400 0.107 0.000 2.201 279 D HA 0.106 4.746 4.640 0.000 0.000 0.209 279 D C 0.349 176.687 176.300 0.063 0.000 0.961 279 D CA 1.054 55.099 54.000 0.075 0.000 0.861 279 D CB 0.304 41.138 40.800 0.056 0.000 0.997 279 D HN 0.307 nan 8.370 nan 0.000 0.486 280 M N 0.299 119.937 119.600 0.063 0.000 2.575 280 M HA 0.424 4.904 4.480 0.000 0.000 0.284 280 M C -0.970 175.368 176.300 0.063 0.000 1.253 280 M CA -0.577 54.758 55.300 0.059 0.000 0.861 280 M CB 3.076 35.711 32.600 0.059 0.000 1.733 280 M HN -0.257 nan 8.290 nan 0.000 0.462 281 I N 0.677 121.281 120.570 0.057 0.000 2.465 281 I HA 0.378 4.549 4.170 0.000 0.000 0.291 281 I C -0.236 175.930 176.117 0.082 0.000 1.014 281 I CA -0.510 60.826 61.300 0.060 0.000 1.093 281 I CB 2.207 40.220 38.000 0.022 0.000 1.267 281 I HN 0.599 nan 8.210 nan 0.000 0.431 282 S N 7.501 123.267 115.700 0.109 0.000 2.498 282 S HA 0.651 5.121 4.470 0.000 0.000 0.317 282 S C -0.895 173.811 174.600 0.177 0.000 1.090 282 S CA -0.518 57.760 58.200 0.130 0.000 1.089 282 S CB 0.833 64.107 63.200 0.124 0.000 0.997 282 S HN 0.539 nan 8.310 nan 0.000 0.470 283 I N 4.160 124.845 120.570 0.193 0.000 2.500 283 I HA 0.408 4.579 4.170 0.000 0.000 0.286 283 I C -0.615 175.689 176.117 0.310 0.000 1.063 283 I CA -0.197 61.272 61.300 0.280 0.000 1.062 283 I CB 1.816 39.952 38.000 0.227 0.000 1.223 283 I HN 0.554 nan 8.210 nan 0.000 0.435 284 S N 6.962 122.905 115.700 0.405 0.000 3.208 284 S HA 0.432 4.902 4.470 0.000 0.000 0.195 284 S C -1.031 173.661 174.600 0.153 0.000 1.394 284 S CA -0.226 58.145 58.200 0.285 0.000 1.127 284 S CB -0.452 62.920 63.200 0.287 0.000 1.282 284 S HN 0.491 nan 8.310 nan 0.000 0.513 285 Y N -0.308 120.091 120.300 0.164 0.000 2.588 285 Y HA 0.718 5.268 4.550 0.000 0.000 0.343 285 Y C 0.419 176.345 175.900 0.044 0.000 1.065 285 Y CA -0.944 57.210 58.100 0.089 0.000 1.038 285 Y CB 2.132 40.723 38.460 0.219 0.000 1.297 285 Y HN 0.319 nan 8.280 nan 0.000 0.467 286 G N 0.580 109.403 108.800 0.038 0.000 2.720 286 G HA2 0.583 4.543 3.960 0.000 0.000 0.295 286 G HA3 0.583 4.543 3.960 0.000 0.000 0.295 286 G C -2.562 172.187 174.900 -0.252 0.000 1.437 286 G CA -0.664 44.439 45.100 0.005 0.000 0.886 286 G HN 0.344 nan 8.290 nan 0.000 0.509 287 Y N -0.080 120.209 120.300 -0.018 0.000 2.462 287 Y HA 0.759 5.309 4.550 0.000 0.000 0.346 287 Y C 0.603 176.322 175.900 -0.303 0.000 0.976 287 Y CA -0.836 57.195 58.100 -0.114 0.000 1.044 287 Y CB 2.610 41.016 38.460 -0.090 0.000 1.230 287 Y HN 0.475 nan 8.280 nan 0.000 0.455 288 R N 0.928 121.183 120.500 -0.409 0.000 2.854 288 R HA 0.638 4.978 4.340 0.000 0.000 0.271 288 R C -1.165 174.274 176.300 -1.435 0.000 0.994 288 R CA -0.962 54.410 56.100 -1.214 0.000 0.945 288 R CB 1.376 30.851 30.300 -1.376 0.000 1.194 288 R HN 0.751 nan 8.270 nan 0.000 0.476 289 F N 0.248 118.862 119.950 -2.228 0.000 2.844 289 F HA -0.216 4.311 4.527 0.000 0.000 0.288 289 F C 0.030 175.278 175.800 -0.920 0.000 0.732 289 F CA -0.042 56.986 58.000 -1.620 0.000 1.378 289 F CB -1.284 37.347 39.000 -0.614 0.000 1.597 289 F HN 0.318 nan 8.300 nan 0.000 0.376 290 I N -1.281 118.853 120.570 -0.727 0.000 2.647 290 I HA 0.704 4.875 4.170 0.000 0.000 0.295 290 I C -2.734 173.362 176.117 -0.036 0.000 1.078 290 I CA -2.627 58.530 61.300 -0.238 0.000 1.048 290 I CB 1.959 39.831 38.000 -0.213 0.000 1.239 290 I HN -0.284 nan 8.210 nan 0.000 0.421 291 P HA 0.250 nan 4.420 nan 0.000 0.272 291 P C 1.169 178.241 177.300 -0.380 0.000 1.230 291 P CA -0.386 62.561 63.100 -0.255 0.000 0.788 291 P CB 1.481 32.767 31.700 -0.690 0.000 0.949 292 L N 1.202 122.297 121.223 -0.214 0.000 2.051 292 L HA -0.250 4.090 4.340 0.000 0.000 0.214 292 L C 2.372 179.122 176.870 -0.201 0.000 1.076 292 L CA 2.072 56.867 54.840 -0.074 0.000 0.758 292 L CB -1.188 40.971 42.059 0.167 0.000 0.890 292 L HN 0.511 nan 8.230 nan 0.000 0.433 293 Y N -1.396 118.741 120.300 -0.272 0.000 2.553 293 Y HA 0.060 4.610 4.550 0.000 0.000 0.303 293 Y C 1.518 177.311 175.900 -0.178 0.000 1.194 293 Y CA -0.006 57.915 58.100 -0.299 0.000 1.305 293 Y CB -0.712 37.471 38.460 -0.461 0.000 1.045 293 Y HN 0.210 nan 8.280 nan 0.000 0.514 294 E N -0.228 119.804 120.200 -0.280 0.000 2.601 294 E HA 0.004 4.354 4.350 0.000 0.000 0.219 294 E C -0.409 176.090 176.600 -0.168 0.000 0.964 294 E CA -0.096 56.200 56.400 -0.174 0.000 1.050 294 E CB 0.433 30.013 29.700 -0.200 0.000 1.068 294 E HN 0.239 nan 8.360 nan 0.000 0.496 295 D N 0.826 121.142 120.400 -0.140 0.000 2.380 295 D HA 0.202 4.843 4.640 0.000 0.000 0.230 295 D C 0.839 177.085 176.300 -0.090 0.000 1.154 295 D CA -0.053 53.889 54.000 -0.097 0.000 0.859 295 D CB 1.294 42.093 40.800 -0.002 0.000 1.045 295 D HN 0.073 nan 8.370 nan 0.000 0.495 296 A N 4.791 127.499 122.820 -0.186 0.000 1.841 296 A HA -0.191 4.129 4.320 0.000 0.000 0.216 296 A C 2.256 179.782 177.584 -0.096 0.000 1.199 296 A CA 1.165 53.089 52.037 -0.188 0.000 0.621 296 A CB -0.608 18.193 19.000 -0.331 0.000 0.835 296 A HN 0.756 nan 8.150 nan 0.000 0.445 297 I N -0.549 119.994 120.570 -0.044 0.000 2.361 297 I HA -0.209 3.961 4.170 0.000 0.000 0.251 297 I C 2.760 178.937 176.117 0.100 0.000 1.133 297 I CA 1.434 62.747 61.300 0.022 0.000 1.413 297 I CB -0.244 37.814 38.000 0.098 0.000 1.073 297 I HN 0.409 nan 8.210 nan 0.000 0.424 298 S N 0.976 116.763 115.700 0.145 0.000 2.371 298 S HA -0.063 4.407 4.470 0.000 0.000 0.224 298 S C 2.038 176.868 174.600 0.383 0.000 1.029 298 S CA 0.972 59.377 58.200 0.342 0.000 0.978 298 S CB -0.161 63.220 63.200 0.301 0.000 0.833 298 S HN 0.313 nan 8.310 nan 0.000 0.466 299 I N 1.625 122.277 120.570 0.136 0.000 2.179 299 I HA -0.165 4.005 4.170 0.000 0.000 0.242 299 I C 2.792 178.911 176.117 0.004 0.000 1.088 299 I CA 1.273 62.578 61.300 0.009 0.000 1.357 299 I CB -0.564 37.397 38.000 -0.066 0.000 1.051 299 I HN 0.354 nan 8.210 nan 0.000 0.409 300 A N 0.065 122.881 122.820 -0.007 0.000 1.930 300 A HA -0.155 4.165 4.320 0.000 0.000 0.217 300 A C 2.477 180.061 177.584 -0.000 0.000 1.175 300 A CA 1.943 53.956 52.037 -0.041 0.000 0.627 300 A CB -0.625 18.316 19.000 -0.099 0.000 0.815 300 A HN 0.379 nan 8.150 nan 0.000 0.443 301 S N -1.126 114.629 115.700 0.092 0.000 2.382 301 S HA -0.115 4.355 4.470 0.000 0.000 0.228 301 S C 1.616 176.263 174.600 0.078 0.000 1.027 301 S CA 1.303 59.594 58.200 0.152 0.000 0.991 301 S CB -0.503 62.887 63.200 0.317 0.000 0.823 301 S HN 0.619 nan 8.310 nan 0.000 0.469 302 F N 2.498 122.297 119.950 -0.252 0.000 2.126 302 F HA -0.068 4.459 4.527 0.000 0.000 0.299 302 F C 2.315 177.867 175.800 -0.415 0.000 1.096 302 F CA 1.401 58.953 58.000 -0.747 0.000 1.255 302 F CB -0.799 37.566 39.000 -1.059 0.000 0.997 302 F HN 0.251 nan 8.300 nan 0.000 0.479 303 G N -0.517 108.253 108.800 -0.051 0.000 2.422 303 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 303 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 303 G C 1.777 176.592 174.900 -0.142 0.000 1.146 303 G CA 0.719 45.773 45.100 -0.076 0.000 0.769 303 G HN 0.593 nan 8.290 nan 0.000 0.547 304 A N 0.471 123.215 122.820 -0.126 0.000 1.873 304 A HA 0.024 4.344 4.320 0.000 0.000 0.215 304 A C 2.312 179.804 177.584 -0.155 0.000 1.186 304 A CA 2.194 54.166 52.037 -0.109 0.000 0.616 304 A CB -0.391 18.570 19.000 -0.065 0.000 0.823 304 A HN 0.390 nan 8.150 nan 0.000 0.442 305 M N -0.811 118.643 119.600 -0.244 0.000 2.159 305 M HA -0.085 4.395 4.480 0.000 0.000 0.263 305 M C 1.755 177.840 176.300 -0.359 0.000 1.063 305 M CA 1.632 56.727 55.300 -0.342 0.000 1.110 305 M CB -0.466 31.792 32.600 -0.569 0.000 1.374 305 M HN 0.295 nan 8.290 nan 0.000 0.411 306 M N -0.096 119.257 119.600 -0.413 0.000 2.358 306 M HA -0.118 4.362 4.480 0.000 0.000 0.264 306 M C 0.956 177.167 176.300 -0.149 0.000 1.064 306 M CA 1.407 56.526 55.300 -0.302 0.000 1.093 306 M CB -0.886 31.542 32.600 -0.288 0.000 1.401 306 M HN 0.283 nan 8.290 nan 0.000 0.440 307 K N -0.420 119.905 120.400 -0.124 0.000 2.514 307 K HA 0.376 4.696 4.320 0.000 0.000 0.207 307 K C 0.779 177.355 176.600 -0.040 0.000 1.035 307 K CA 0.322 56.570 56.287 -0.064 0.000 1.113 307 K CB 0.577 33.045 32.500 -0.052 0.000 0.846 307 K HN 0.395 nan 8.250 nan 0.000 0.491 308 G N 1.175 109.945 108.800 -0.049 0.000 2.148 308 G HA2 -0.233 3.727 3.960 0.000 0.000 0.254 308 G HA3 -0.233 3.727 3.960 0.000 0.000 0.254 308 G C 0.024 174.923 174.900 -0.000 0.000 0.981 308 G CA -0.046 45.046 45.100 -0.012 0.000 0.670 308 G HN 0.160 nan 8.290 nan 0.000 0.528 309 V N 1.343 121.243 119.914 -0.023 0.000 2.347 309 V HA 0.615 4.735 4.120 0.000 0.000 0.280 309 V C 0.471 176.560 176.094 -0.008 0.000 1.021 309 V CA -0.863 61.435 62.300 -0.004 0.000 0.847 309 V CB 1.505 33.322 31.823 -0.009 0.000 0.990 309 V HN 0.421 nan 8.190 nan 0.000 0.444 310 L N 7.086 128.321 121.223 0.020 0.000 2.331 310 L HA 0.496 4.836 4.340 0.000 0.000 0.278 310 L C -0.178 176.716 176.870 0.039 0.000 1.106 310 L CA 0.508 55.365 54.840 0.029 0.000 0.824 310 L CB 1.410 43.499 42.059 0.050 0.000 1.142 310 L HN 0.426 nan 8.230 nan 0.000 0.443 311 V N 4.687 124.627 119.914 0.044 0.000 2.398 311 V HA 0.463 4.583 4.120 0.000 0.000 0.286 311 V C 0.026 176.162 176.094 0.070 0.000 1.026 311 V CA -0.426 61.908 62.300 0.057 0.000 0.868 311 V CB 1.487 33.347 31.823 0.062 0.000 0.982 311 V HN 0.892 nan 8.190 nan 0.000 0.443 312 S N 3.969 119.716 115.700 0.079 0.000 2.429 312 S HA 0.830 5.300 4.470 0.000 0.000 0.302 312 S C 0.005 174.667 174.600 0.102 0.000 1.115 312 S CA -0.395 57.857 58.200 0.086 0.000 1.095 312 S CB 1.473 64.726 63.200 0.088 0.000 0.987 312 S HN 1.024 nan 8.310 nan 0.000 0.474 313 A N 2.514 125.393 122.820 0.098 0.000 2.454 313 A HA 0.801 5.121 4.320 0.000 0.000 0.302 313 A C 0.016 177.661 177.584 0.102 0.000 1.079 313 A CA -0.904 51.202 52.037 0.114 0.000 0.731 313 A CB 1.088 20.155 19.000 0.113 0.000 1.299 313 A HN 0.789 nan 8.150 nan 0.000 0.413 314 S N 0.672 116.438 115.700 0.110 0.000 2.576 314 S HA 0.446 4.916 4.470 0.000 0.000 0.276 314 S C 1.038 175.681 174.600 0.071 0.000 1.339 314 S CA 0.003 58.256 58.200 0.089 0.000 1.039 314 S CB 1.382 64.633 63.200 0.086 0.000 0.902 314 S HN 1.705 nan 8.310 nan 0.000 0.516 315 A N 2.107 124.962 122.820 0.058 0.000 2.167 315 A HA 0.552 4.873 4.320 0.000 0.000 0.214 315 A C 1.324 178.932 177.584 0.040 0.000 1.151 315 A CA 0.487 52.552 52.037 0.047 0.000 0.735 315 A CB -1.233 17.791 19.000 0.040 0.000 0.802 315 A HN 2.226 nan 8.150 nan 0.000 0.467 316 G N -1.129 107.692 108.800 0.035 0.000 2.555 316 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 316 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 316 G C -0.608 174.304 174.900 0.020 0.000 1.275 316 G CA -0.222 44.889 45.100 0.018 0.000 0.871 316 G HN 0.218 nan 8.290 nan 0.000 0.603 317 N N 0.023 118.730 118.700 0.012 0.000 2.338 317 N HA 0.151 4.891 4.740 0.000 0.000 0.251 317 N C 1.062 176.587 175.510 0.024 0.000 1.199 317 N CA -0.293 52.768 53.050 0.018 0.000 0.879 317 N CB 0.726 39.221 38.487 0.013 0.000 1.159 317 N HN 0.361 nan 8.380 nan 0.000 0.514 318 R N 0.346 120.863 120.500 0.029 0.000 2.552 318 R HA 0.264 4.604 4.340 0.000 0.000 0.314 318 R C 1.006 177.335 176.300 0.048 0.000 1.041 318 R CA -0.349 55.777 56.100 0.043 0.000 1.076 318 R CB -0.115 30.217 30.300 0.053 0.000 1.290 318 R HN 0.118 nan 8.270 nan 0.000 0.563 319 G N 1.858 110.683 108.800 0.041 0.000 2.712 319 G HA2 0.093 4.053 3.960 0.000 0.000 0.258 319 G HA3 0.093 4.053 3.960 0.000 0.000 0.258 319 G C -1.524 173.403 174.900 0.044 0.000 1.241 319 G CA -0.571 44.553 45.100 0.041 0.000 0.923 319 G HN 0.019 nan 8.290 nan 0.000 0.548 320 P HA 0.165 nan 4.420 nan 0.000 0.268 320 P C 1.004 178.325 177.300 0.034 0.000 1.329 320 P CA 0.045 63.167 63.100 0.037 0.000 0.899 320 P CB 0.288 32.009 31.700 0.036 0.000 1.378 321 G N 1.439 110.264 108.800 0.040 0.000 2.464 321 G HA2 0.028 3.988 3.960 0.000 0.000 0.231 321 G HA3 0.028 3.988 3.960 0.000 0.000 0.231 321 G C -0.030 174.888 174.900 0.030 0.000 1.267 321 G CA -0.397 44.727 45.100 0.041 0.000 0.863 321 G HN 0.316 nan 8.290 nan 0.000 0.559 322 I N 0.943 121.526 120.570 0.022 0.000 2.752 322 I HA 0.330 4.500 4.170 0.000 0.000 0.287 322 I C 1.364 177.474 176.117 -0.011 0.000 1.188 322 I CA 1.127 62.428 61.300 0.001 0.000 1.427 322 I CB 0.357 38.354 38.000 -0.005 0.000 1.365 322 I HN 1.058 nan 8.210 nan 0.000 0.585 323 G N 4.633 113.407 108.800 -0.043 0.000 2.356 323 G HA2 -0.303 3.657 3.960 0.000 0.000 0.296 323 G HA3 -0.303 3.657 3.960 0.000 0.000 0.296 323 G C 0.621 175.492 174.900 -0.048 0.000 1.022 323 G CA 0.688 45.735 45.100 -0.088 0.000 0.961 323 G HN 1.006 nan 8.290 nan 0.000 0.510 324 S N -1.730 113.970 115.700 0.000 0.000 2.556 324 S HA 0.454 4.924 4.470 0.000 0.000 0.216 324 S C 1.023 175.652 174.600 0.049 0.000 0.970 324 S CA 0.484 58.714 58.200 0.049 0.000 0.912 324 S CB 0.156 63.390 63.200 0.056 0.000 0.790 324 S HN 1.473 nan 8.310 nan 0.000 0.504 325 L N 1.813 123.047 121.223 0.019 0.000 2.439 325 L HA 0.582 4.922 4.340 0.000 0.000 0.261 325 L C -0.111 176.814 176.870 0.091 0.000 1.153 325 L CA -0.824 54.037 54.840 0.034 0.000 0.808 325 L CB 0.001 42.065 42.059 0.007 0.000 1.126 325 L HN 0.337 nan 8.230 nan 0.000 0.460 326 N N -0.332 118.427 118.700 0.098 0.000 2.619 326 N HA 0.373 5.113 4.740 0.000 0.000 0.294 326 N C -0.698 174.873 175.510 0.101 0.000 1.279 326 N CA -0.691 52.452 53.050 0.155 0.000 0.867 326 N CB 0.823 39.376 38.487 0.110 0.000 1.329 326 N HN 0.676 nan 8.380 nan 0.000 0.557 327 N N -1.487 117.283 118.700 0.116 0.000 2.714 327 N HA -0.134 4.606 4.740 0.000 0.000 0.250 327 N C -0.006 175.507 175.510 0.004 0.000 1.117 327 N CA 1.039 54.131 53.050 0.069 0.000 0.719 327 N CB -1.485 37.050 38.487 0.080 0.000 1.081 327 N HN 0.823 nan 8.380 nan 0.000 0.557 328 G N -0.398 108.398 108.800 -0.007 0.000 3.541 328 G HA2 0.344 4.305 3.960 0.000 0.000 0.253 328 G HA3 0.344 4.305 3.960 0.000 0.000 0.253 328 G C 0.062 174.868 174.900 -0.156 0.000 1.017 328 G CA -0.055 45.003 45.100 -0.069 0.000 1.832 328 G HN 0.174 nan 8.290 nan 0.000 0.649 329 S N 0.573 116.108 115.700 -0.276 0.000 2.593 329 S HA 0.414 4.884 4.470 0.000 0.000 0.297 329 S C -1.595 172.627 174.600 -0.631 0.000 1.112 329 S CA -1.061 56.760 58.200 -0.632 0.000 1.043 329 S CB 2.474 65.072 63.200 -1.003 0.000 1.054 329 S HN 0.058 nan 8.310 nan 0.000 0.516 330 P HA -0.019 nan 4.420 nan 0.000 0.220 330 P C 0.291 177.633 177.300 0.069 0.000 1.148 330 P CA 0.779 63.696 63.100 -0.306 0.000 0.803 330 P CB -0.000 31.553 31.700 -0.245 0.000 0.782 331 W N -1.244 120.108 121.300 0.088 0.000 3.269 331 W HA 0.537 5.197 4.660 0.000 0.000 0.413 331 W C -0.323 176.161 176.519 -0.058 0.000 1.057 331 W CA -0.532 56.744 57.345 -0.115 0.000 1.953 331 W CB -0.829 28.430 29.460 -0.335 0.000 1.053 331 W HN -0.243 nan 8.180 nan 0.000 0.753 332 I N 1.801 122.356 120.570 -0.026 0.000 2.686 332 I HA 0.219 4.389 4.170 0.000 0.000 0.295 332 I C -1.017 175.129 176.117 0.049 0.000 1.114 332 I CA -1.504 59.805 61.300 0.014 0.000 1.038 332 I CB 2.526 40.503 38.000 -0.038 0.000 1.238 332 I HN -0.267 nan 8.210 nan 0.000 0.420 333 L N 6.389 127.650 121.223 0.063 0.000 2.334 333 L HA 0.317 4.657 4.340 0.000 0.000 0.286 333 L C -0.313 176.595 176.870 0.062 0.000 1.108 333 L CA 0.038 54.919 54.840 0.069 0.000 0.875 333 L CB 0.377 42.475 42.059 0.065 0.000 1.246 333 L HN 0.674 nan 8.230 nan 0.000 0.439 334 C N 5.907 125.240 119.300 0.057 0.000 2.373 334 C HA 0.567 5.027 4.460 0.000 0.000 0.354 334 C C 0.144 175.166 174.990 0.054 0.000 1.249 334 C CA -0.585 58.462 59.018 0.048 0.000 1.784 334 C CB -0.512 27.245 27.740 0.028 0.000 2.408 334 C HN 0.611 nan 8.230 nan 0.000 0.542 335 V N 7.192 127.142 119.914 0.061 0.000 2.398 335 V HA 0.660 4.780 4.120 0.000 0.000 0.286 335 V C 0.746 176.877 176.094 0.062 0.000 1.026 335 V CA -0.285 62.052 62.300 0.063 0.000 0.868 335 V CB 1.161 33.030 31.823 0.076 0.000 0.982 335 V HN 1.080 nan 8.190 nan 0.000 0.443 336 A N 3.563 126.418 122.820 0.058 0.000 2.252 336 A HA 0.802 5.122 4.320 0.000 0.000 0.305 336 A C 0.184 177.808 177.584 0.067 0.000 1.097 336 A CA -0.394 51.679 52.037 0.059 0.000 0.849 336 A CB 1.272 20.307 19.000 0.057 0.000 1.142 336 A HN 0.788 nan 8.150 nan 0.000 0.499 337 S N -0.859 114.878 115.700 0.062 0.000 2.478 337 S HA 0.668 5.138 4.470 0.000 0.000 0.312 337 S C -0.062 174.570 174.600 0.054 0.000 1.094 337 S CA 0.096 58.328 58.200 0.054 0.000 1.081 337 S CB 0.805 64.023 63.200 0.031 0.000 1.007 337 S HN 1.476 nan 8.310 nan 0.000 0.475 338 G N 2.488 111.333 108.800 0.075 0.000 2.569 338 G HA2 0.497 4.457 3.960 0.000 0.000 0.300 338 G HA3 0.497 4.457 3.960 0.000 0.000 0.300 338 G C -1.094 173.826 174.900 0.034 0.000 1.269 338 G CA -0.655 44.508 45.100 0.105 0.000 0.959 338 G HN 0.815 nan 8.290 nan 0.000 0.478 339 H N -0.225 118.858 119.070 0.021 0.000 2.615 339 H HA 0.252 4.808 4.556 0.000 0.000 0.363 339 H C 0.991 176.244 175.328 -0.125 0.000 1.148 339 H CA 0.633 56.660 56.048 -0.034 0.000 1.401 339 H CB 1.479 31.208 29.762 -0.056 0.000 1.461 339 H HN 0.647 nan 8.280 nan 0.000 0.588 340 T N -1.381 113.082 114.554 -0.152 0.000 2.924 340 T HA -0.013 4.338 4.350 0.000 0.000 0.301 340 T C 0.887 175.324 174.700 -0.438 0.000 1.120 340 T CA -0.563 61.146 62.100 -0.652 0.000 0.940 340 T CB 0.437 68.893 68.868 -0.687 0.000 1.591 340 T HN 0.656 nan 8.240 nan 0.000 0.578 341 D N -1.572 118.513 120.400 -0.526 0.000 2.388 341 D HA 0.110 4.750 4.640 0.000 0.000 0.221 341 D C 0.537 176.732 176.300 -0.174 0.000 1.133 341 D CA -0.456 53.437 54.000 -0.178 0.000 0.831 341 D CB -0.194 40.619 40.800 0.023 0.000 0.962 341 D HN 0.470 nan 8.370 nan 0.000 0.502 342 R N -0.167 120.197 120.500 -0.227 0.000 2.486 342 R HA 0.533 4.873 4.340 0.000 0.000 0.286 342 R C -0.948 175.170 176.300 -0.304 0.000 0.999 342 R CA -0.246 55.672 56.100 -0.302 0.000 0.993 342 R CB 1.304 31.402 30.300 -0.336 0.000 1.084 342 R HN 0.061 nan 8.270 nan 0.000 0.487 343 T N 2.815 117.131 114.554 -0.398 0.000 2.894 343 T HA 0.540 4.890 4.350 0.000 0.000 0.309 343 T C -1.621 172.768 174.700 -0.518 0.000 1.208 343 T CA -0.548 61.378 62.100 -0.290 0.000 1.016 343 T CB 0.653 69.557 68.868 0.060 0.000 1.192 343 T HN 0.379 nan 8.240 nan 0.000 0.491 344 F N 2.031 121.905 119.950 -0.125 0.000 2.469 344 F HA 0.794 5.322 4.527 0.000 0.000 0.332 344 F C 0.530 176.208 175.800 -0.204 0.000 1.103 344 F CA -0.894 56.964 58.000 -0.237 0.000 0.979 344 F CB 2.002 40.636 39.000 -0.611 0.000 1.137 344 F HN 0.707 nan 8.300 nan 0.000 0.463 345 A N 1.373 124.334 122.820 0.234 0.000 2.371 345 A HA 0.767 5.087 4.320 0.000 0.000 0.311 345 A C -0.246 177.415 177.584 0.129 0.000 1.068 345 A CA -0.730 51.428 52.037 0.202 0.000 0.744 345 A CB 1.192 20.432 19.000 0.401 0.000 1.239 345 A HN 0.961 nan 8.150 nan 0.000 0.435 346 G N 1.456 110.269 108.800 0.021 0.000 3.102 346 G HA2 0.475 4.435 3.960 0.000 0.000 0.345 346 G HA3 0.475 4.435 3.960 0.000 0.000 0.345 346 G C -0.103 174.714 174.900 -0.138 0.000 1.200 346 G CA -0.176 44.820 45.100 -0.174 0.000 1.163 346 G HN 0.657 nan 8.290 nan 0.000 0.465 347 T N 2.504 116.993 114.554 -0.107 0.000 2.792 347 T HA 0.037 4.387 4.350 0.000 0.000 0.286 347 T C 0.176 174.801 174.700 -0.125 0.000 0.970 347 T CA 0.403 62.455 62.100 -0.080 0.000 1.187 347 T CB 0.691 69.533 68.868 -0.043 0.000 0.915 347 T HN 0.350 nan 8.240 nan 0.000 0.529 348 L N 5.290 126.460 121.223 -0.089 0.000 2.264 348 L HA 0.473 4.813 4.340 0.000 0.000 0.289 348 L C -0.058 176.752 176.870 -0.100 0.000 1.044 348 L CA 0.161 54.945 54.840 -0.092 0.000 0.807 348 L CB 1.139 43.167 42.059 -0.051 0.000 1.192 348 L HN 0.533 nan 8.230 nan 0.000 0.425 349 T N 6.100 120.585 114.554 -0.114 0.000 2.815 349 T HA 0.540 4.890 4.350 0.000 0.000 0.289 349 T C -0.260 174.343 174.700 -0.161 0.000 1.000 349 T CA -0.424 61.601 62.100 -0.126 0.000 0.958 349 T CB 0.940 69.746 68.868 -0.102 0.000 0.944 349 T HN 0.280 nan 8.240 nan 0.000 0.442 350 L N 1.946 123.021 121.223 -0.248 0.000 2.468 350 L HA 0.482 4.822 4.340 0.000 0.000 0.254 350 L C 1.931 178.598 176.870 -0.339 0.000 1.171 350 L CA 0.198 54.783 54.840 -0.424 0.000 0.809 350 L CB 0.128 41.678 42.059 -0.849 0.000 1.155 350 L HN 0.809 nan 8.230 nan 0.000 0.473 351 G N -0.035 108.594 108.800 -0.284 0.000 2.535 351 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 351 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 351 G C 0.709 175.608 174.900 -0.003 0.000 1.122 351 G CA 0.781 45.879 45.100 -0.005 0.000 0.769 351 G HN 0.884 nan 8.290 nan 0.000 0.549 352 N N -1.523 117.090 118.700 -0.145 0.000 2.251 352 N HA 0.328 5.069 4.740 0.000 0.000 0.217 352 N C 1.430 176.891 175.510 -0.081 0.000 1.124 352 N CA 0.364 53.393 53.050 -0.035 0.000 0.843 352 N CB 0.369 38.888 38.487 0.053 0.000 1.024 352 N HN 0.158 nan 8.380 nan 0.000 0.501 353 G N 0.759 109.493 108.800 -0.110 0.000 2.225 353 G HA2 -0.300 3.660 3.960 0.000 0.000 0.254 353 G HA3 -0.300 3.660 3.960 0.000 0.000 0.254 353 G C -0.025 174.811 174.900 -0.107 0.000 0.988 353 G CA 0.192 45.240 45.100 -0.086 0.000 0.625 353 G HN 0.375 nan 8.290 nan 0.000 0.527 354 L N 1.565 122.697 121.223 -0.153 0.000 2.562 354 L HA 0.532 4.872 4.340 0.000 0.000 0.271 354 L C 0.578 177.367 176.870 -0.136 0.000 1.167 354 L CA 0.475 55.230 54.840 -0.142 0.000 0.917 354 L CB 0.399 42.352 42.059 -0.177 0.000 1.187 354 L HN 0.285 nan 8.230 nan 0.000 0.482 355 K N 6.469 126.810 120.400 -0.098 0.000 2.307 355 K HA 0.564 4.884 4.320 0.000 0.000 0.263 355 K C -1.346 175.206 176.600 -0.079 0.000 0.973 355 K CA -0.512 55.722 56.287 -0.089 0.000 0.846 355 K CB 0.718 33.173 32.500 -0.074 0.000 1.100 355 K HN 0.691 nan 8.250 nan 0.000 0.438 356 I N 4.053 124.578 120.570 -0.075 0.000 2.436 356 I HA 0.311 4.481 4.170 0.000 0.000 0.289 356 I C -0.016 176.069 176.117 -0.052 0.000 1.010 356 I CA -0.922 60.343 61.300 -0.058 0.000 1.098 356 I CB 1.869 39.845 38.000 -0.040 0.000 1.266 356 I HN 0.499 nan 8.210 nan 0.000 0.434 357 R N 5.225 125.685 120.500 -0.066 0.000 2.429 357 R HA 0.369 4.709 4.340 0.000 0.000 0.302 357 R C 0.111 176.416 176.300 0.009 0.000 1.268 357 R CA -0.078 55.979 56.100 -0.072 0.000 1.090 357 R CB 0.298 30.486 30.300 -0.187 0.000 1.102 357 R HN 0.907 nan 8.270 nan 0.000 0.522 358 G N 2.622 111.459 108.800 0.061 0.000 2.531 358 G HA2 0.089 4.049 3.960 0.000 0.000 0.281 358 G HA3 0.089 4.049 3.960 0.000 0.000 0.281 358 G C -1.268 173.792 174.900 0.268 0.000 1.382 358 G CA -0.662 44.538 45.100 0.166 0.000 1.045 358 G HN 0.626 nan 8.290 nan 0.000 0.533 359 W N 0.188 121.578 121.300 0.150 0.000 2.573 359 W HA 0.673 5.333 4.660 0.000 0.000 0.326 359 W C -0.869 175.711 176.519 0.102 0.000 1.049 359 W CA -0.848 56.599 57.345 0.170 0.000 1.220 359 W CB 1.694 31.294 29.460 0.233 0.000 1.373 359 W HN 0.568 nan 8.180 nan 0.000 0.507 360 S N 5.127 120.459 115.700 -0.614 0.000 2.543 360 S HA 0.510 4.980 4.470 0.000 0.000 0.274 360 S C -0.894 173.094 174.600 -1.020 0.000 1.149 360 S CA -0.573 57.143 58.200 -0.805 0.000 0.866 360 S CB 1.068 64.118 63.200 -0.250 0.000 1.111 360 S HN 0.576 nan 8.310 nan 0.000 0.457 361 L N 3.243 123.731 121.223 -1.226 0.000 3.366 361 L HA 0.435 4.775 4.340 0.000 0.000 0.304 361 L C -0.360 176.217 176.870 -0.489 0.000 1.292 361 L CA -0.323 53.913 54.840 -1.006 0.000 1.012 361 L CB 0.354 41.980 42.059 -0.722 0.000 1.414 361 L HN 0.714 nan 8.230 nan 0.000 0.603 362 F N 5.043 124.697 119.950 -0.494 0.000 2.571 362 F HA 0.093 4.621 4.527 0.000 0.000 0.390 362 F C -1.381 174.407 175.800 -0.019 0.000 1.043 362 F CA -1.544 56.346 58.000 -0.185 0.000 1.164 362 F CB 0.603 39.367 39.000 -0.394 0.000 1.049 362 F HN -0.009 nan 8.300 nan 0.000 0.552 363 P HA 0.268 nan 4.420 nan 0.000 0.228 363 P C -1.083 175.878 177.300 -0.565 0.000 1.748 363 P CA 0.376 63.158 63.100 -0.529 0.000 0.909 363 P CB -0.256 30.821 31.700 -1.039 0.000 1.882 364 A N 0.365 122.934 122.820 -0.419 0.000 2.581 364 A HA 0.367 4.687 4.320 0.000 0.000 0.294 364 A C -0.520 177.152 177.584 0.147 0.000 1.035 364 A CA -0.921 51.024 52.037 -0.154 0.000 0.684 364 A CB 0.673 19.530 19.000 -0.238 0.000 1.282 364 A HN 0.102 nan 8.150 nan 0.000 0.417 365 R N 1.409 121.998 120.500 0.148 0.000 4.154 365 R HA 0.444 4.784 4.340 0.000 0.000 0.186 365 R C 0.538 177.011 176.300 0.288 0.000 1.750 365 R CA 0.585 56.814 56.100 0.215 0.000 1.431 365 R CB -0.782 29.598 30.300 0.133 0.000 1.383 365 R HN 1.189 nan 8.270 nan 0.000 0.788 366 A N 2.019 125.027 122.820 0.314 0.000 2.507 366 A HA 0.034 4.354 4.320 0.000 0.000 0.235 366 A C -0.555 177.264 177.584 0.391 0.000 1.070 366 A CA 0.039 52.200 52.037 0.206 0.000 0.768 366 A CB 0.088 18.857 19.000 -0.385 0.000 1.011 366 A HN 0.674 nan 8.150 nan 0.000 0.502 367 F N 3.010 123.047 119.950 0.146 0.000 2.434 367 F HA 0.477 5.004 4.527 0.000 0.000 0.367 367 F C -0.301 175.565 175.800 0.110 0.000 1.093 367 F CA -0.849 57.229 58.000 0.130 0.000 1.085 367 F CB 1.486 40.536 39.000 0.083 0.000 1.322 367 F HN 0.406 nan 8.300 nan 0.000 0.452 368 V N 7.897 127.654 119.914 -0.261 0.000 2.305 368 V HA 0.584 4.705 4.120 0.000 0.000 0.275 368 V C -1.240 174.609 176.094 -0.408 0.000 1.020 368 V CA -0.347 61.777 62.300 -0.293 0.000 0.811 368 V CB 0.861 32.663 31.823 -0.034 0.000 1.031 368 V HN 0.812 nan 8.190 nan 0.000 0.439 369 R N 4.407 124.545 120.500 -0.602 0.000 2.561 369 R HA 0.428 4.768 4.340 0.000 0.000 0.297 369 R C -0.530 175.641 176.300 -0.216 0.000 0.969 369 R CA -0.242 55.609 56.100 -0.414 0.000 0.879 369 R CB 1.247 31.230 30.300 -0.527 0.000 1.178 369 R HN 0.787 nan 8.270 nan 0.000 0.445 370 D N 1.529 121.859 120.400 -0.118 0.000 2.701 370 D HA -0.150 4.490 4.640 0.000 0.000 0.235 370 D C -1.018 175.259 176.300 -0.039 0.000 1.155 370 D CA 1.235 55.204 54.000 -0.051 0.000 0.649 370 D CB -0.846 39.940 40.800 -0.024 0.000 1.050 370 D HN 0.399 nan 8.370 nan 0.000 0.425 371 S N 0.359 116.029 115.700 -0.050 0.000 2.585 371 S HA 0.465 4.936 4.470 0.000 0.000 0.277 371 S C -2.153 172.449 174.600 0.003 0.000 1.241 371 S CA -1.147 57.036 58.200 -0.028 0.000 1.041 371 S CB 1.791 64.965 63.200 -0.043 0.000 0.987 371 S HN -0.029 nan 8.310 nan 0.000 0.512 372 P HA 0.170 nan 4.420 nan 0.000 0.268 372 P C -1.110 176.205 177.300 0.026 0.000 1.204 372 P CA -0.122 62.990 63.100 0.020 0.000 0.768 372 P CB 0.369 32.076 31.700 0.011 0.000 0.842 373 V N 4.764 124.704 119.914 0.044 0.000 2.628 373 V HA 0.581 4.701 4.120 0.000 0.000 0.306 373 V C 0.386 176.507 176.094 0.045 0.000 1.045 373 V CA -0.654 61.678 62.300 0.053 0.000 0.905 373 V CB 1.632 33.515 31.823 0.100 0.000 0.997 373 V HN 0.424 nan 8.190 nan 0.000 0.436 374 I N 1.371 121.969 120.570 0.048 0.000 2.647 374 I HA 0.670 4.840 4.170 0.000 0.000 0.295 374 I C -1.767 174.413 176.117 0.105 0.000 1.078 374 I CA -0.914 60.417 61.300 0.051 0.000 1.048 374 I CB 2.209 40.215 38.000 0.011 0.000 1.239 374 I HN 0.630 nan 8.210 nan 0.000 0.421 375 Y N 5.866 126.154 120.300 -0.019 0.000 2.338 375 Y HA 0.567 5.117 4.550 0.000 0.000 0.328 375 Y C -1.209 174.682 175.900 -0.016 0.000 0.965 375 Y CA -0.549 57.542 58.100 -0.015 0.000 1.208 375 Y CB 1.153 39.609 38.460 -0.008 0.000 1.132 375 Y HN 0.759 nan 8.280 nan 0.000 0.469 376 N N 5.733 124.130 118.700 -0.506 0.000 2.558 376 N HA 0.195 4.935 4.740 0.000 0.000 0.285 376 N C 0.111 175.366 175.510 -0.425 0.000 1.112 376 N CA -0.420 52.413 53.050 -0.363 0.000 0.857 376 N CB 1.329 39.715 38.487 -0.169 0.000 1.376 376 N HN 0.610 nan 8.380 nan 0.000 0.526 377 K N 1.171 121.330 120.400 -0.402 0.000 2.281 377 K HA -0.032 4.288 4.320 0.000 0.000 0.203 377 K C 0.864 177.369 176.600 -0.158 0.000 1.046 377 K CA 1.166 57.287 56.287 -0.277 0.000 0.938 377 K CB -0.175 32.236 32.500 -0.148 0.000 0.737 377 K HN 0.572 nan 8.250 nan 0.000 0.458 378 T N 1.213 115.689 114.554 -0.131 0.000 2.962 378 T HA -0.092 4.258 4.350 0.000 0.000 0.270 378 T C 1.379 176.032 174.700 -0.079 0.000 1.088 378 T CA 1.132 63.182 62.100 -0.083 0.000 1.127 378 T CB 0.028 68.857 68.868 -0.066 0.000 0.883 378 T HN 0.211 nan 8.240 nan 0.000 0.493 379 L N -1.679 119.481 121.223 -0.106 0.000 3.217 379 L HA 0.608 4.948 4.340 0.000 0.000 0.288 379 L C 1.790 178.603 176.870 -0.096 0.000 1.202 379 L CA 0.033 54.823 54.840 -0.083 0.000 1.027 379 L CB -0.597 41.419 42.059 -0.072 0.000 1.427 379 L HN -0.104 nan 8.230 nan 0.000 0.600 380 S N 0.675 116.283 115.700 -0.153 0.000 2.440 380 S HA -0.263 4.207 4.470 0.000 0.000 0.240 380 S C 1.684 176.256 174.600 -0.046 0.000 1.014 380 S CA 1.933 60.042 58.200 -0.152 0.000 0.980 380 S CB -0.416 62.613 63.200 -0.285 0.000 0.775 380 S HN 0.672 nan 8.310 nan 0.000 0.499 381 D N 0.334 120.714 120.400 -0.034 0.000 2.219 381 D HA -0.030 4.610 4.640 0.000 0.000 0.205 381 D C 0.680 176.992 176.300 0.020 0.000 0.970 381 D CA 0.891 54.894 54.000 0.004 0.000 0.851 381 D CB -0.434 40.365 40.800 -0.002 0.000 0.943 381 D HN 0.491 nan 8.370 nan 0.000 0.488 382 c N 0.302 118.903 118.600 0.001 0.000 4.209 382 c HA -0.125 4.445 4.570 0.000 0.000 0.305 382 c C 1.600 175.702 174.090 0.019 0.000 1.339 382 c CA 0.650 56.987 56.329 0.013 0.000 2.062 382 c CB -2.903 39.634 42.510 0.045 0.000 1.307 382 c HN 0.500 nan 8.230 nan 0.000 0.706 383 S N -2.582 113.121 115.700 0.004 0.000 2.649 383 S HA 0.314 4.784 4.470 0.000 0.000 0.246 383 S C 0.213 174.808 174.600 -0.008 0.000 1.057 383 S CA 0.610 58.810 58.200 -0.001 0.000 1.051 383 S CB 0.411 63.612 63.200 0.001 0.000 1.018 383 S HN 0.882 nan 8.310 nan 0.000 0.569 384 S N 1.235 116.928 115.700 -0.011 0.000 2.433 384 S HA 0.380 4.850 4.470 0.000 0.000 0.310 384 S C 0.609 175.202 174.600 -0.013 0.000 1.097 384 S CA -0.537 57.656 58.200 -0.013 0.000 1.103 384 S CB 1.174 64.365 63.200 -0.015 0.000 0.992 384 S HN 0.412 nan 8.310 nan 0.000 0.469 385 E N 3.100 123.293 120.200 -0.013 0.000 2.107 385 E HA -0.154 4.196 4.350 0.000 0.000 0.191 385 E C 1.651 178.243 176.600 -0.012 0.000 0.982 385 E CA 0.905 57.298 56.400 -0.012 0.000 0.809 385 E CB 0.012 29.705 29.700 -0.012 0.000 0.756 385 E HN 0.891 nan 8.360 nan 0.000 0.459 386 E N 1.436 121.629 120.200 -0.012 0.000 2.051 386 E HA -0.198 4.152 4.350 0.000 0.000 0.192 386 E C 2.155 178.747 176.600 -0.014 0.000 0.991 386 E CA 0.795 57.188 56.400 -0.012 0.000 0.799 386 E CB -0.013 29.680 29.700 -0.011 0.000 0.748 386 E HN 0.204 nan 8.360 nan 0.000 0.449 387 L N 0.610 121.823 121.223 -0.017 0.000 1.994 387 L HA -0.195 4.145 4.340 0.000 0.000 0.208 387 L C 2.624 179.481 176.870 -0.023 0.000 1.071 387 L CA 0.656 55.483 54.840 -0.021 0.000 0.745 387 L CB -0.454 41.590 42.059 -0.025 0.000 0.892 387 L HN 0.316 nan 8.230 nan 0.000 0.431 388 L N 0.087 121.297 121.223 -0.021 0.000 2.187 388 L HA -0.161 4.179 4.340 0.000 0.000 0.213 388 L C 2.698 179.558 176.870 -0.016 0.000 1.100 388 L CA 2.004 56.831 54.840 -0.021 0.000 0.765 388 L CB -1.326 40.722 42.059 -0.017 0.000 0.904 388 L HN 0.451 nan 8.230 nan 0.000 0.437 389 S N -1.781 113.911 115.700 -0.013 0.000 2.607 389 S HA -0.090 4.380 4.470 0.000 0.000 0.224 389 S C 1.521 176.115 174.600 -0.010 0.000 0.969 389 S CA 0.136 58.330 58.200 -0.010 0.000 0.927 389 S CB -0.031 63.163 63.200 -0.008 0.000 0.772 389 S HN 0.531 nan 8.310 nan 0.000 0.533 390 Q N 0.423 120.215 119.800 -0.014 0.000 2.408 390 Q HA 0.277 4.617 4.340 0.000 0.000 0.205 390 Q C 0.396 176.388 176.000 -0.014 0.000 0.919 390 Q CA 0.080 55.875 55.803 -0.014 0.000 0.932 390 Q CB 0.372 29.100 28.738 -0.017 0.000 1.058 390 Q HN 0.499 nan 8.270 nan 0.000 0.517 391 V N 2.552 122.456 119.914 -0.016 0.000 2.421 391 V HA 0.012 4.132 4.120 0.000 0.000 0.271 391 V C -0.123 175.965 176.094 -0.010 0.000 1.031 391 V CA -0.036 62.255 62.300 -0.015 0.000 1.032 391 V CB 0.419 32.230 31.823 -0.019 0.000 1.009 391 V HN 0.175 nan 8.190 nan 0.000 0.477 392 E N 5.609 125.804 120.200 -0.008 0.000 2.422 392 E HA 0.110 4.460 4.350 0.000 0.000 0.260 392 E C 0.513 177.112 176.600 -0.002 0.000 1.108 392 E CA 0.103 56.501 56.400 -0.004 0.000 0.943 392 E CB 0.104 29.802 29.700 -0.003 0.000 0.961 392 E HN 0.845 nan 8.360 nan 0.000 0.443 393 N N 1.302 120.003 118.700 0.002 0.000 2.714 393 N HA -0.149 4.591 4.740 0.000 0.000 0.252 393 N C -2.019 173.493 175.510 0.004 0.000 1.014 393 N CA 0.461 53.514 53.050 0.005 0.000 0.735 393 N CB -0.904 37.587 38.487 0.006 0.000 0.924 393 N HN 0.430 nan 8.380 nan 0.000 0.540 394 P HA -0.129 nan 4.420 nan 0.000 0.225 394 P C 0.758 178.060 177.300 0.004 0.000 1.148 394 P CA 1.138 64.238 63.100 0.000 0.000 0.779 394 P CB 0.282 31.982 31.700 -0.001 0.000 0.780 395 E N -0.763 119.442 120.200 0.009 0.000 2.478 395 E HA 0.015 4.365 4.350 0.000 0.000 0.194 395 E C 1.327 177.936 176.600 0.016 0.000 1.045 395 E CA 0.134 56.542 56.400 0.014 0.000 0.868 395 E CB -0.198 29.514 29.700 0.019 0.000 0.885 395 E HN 0.346 nan 8.360 nan 0.000 0.505 396 N N 0.844 119.551 118.700 0.012 0.000 2.299 396 N HA -0.005 4.735 4.740 0.000 0.000 0.246 396 N C -0.879 174.634 175.510 0.004 0.000 1.254 396 N CA 0.114 53.170 53.050 0.011 0.000 0.879 396 N CB 1.075 39.572 38.487 0.017 0.000 1.214 396 N HN -0.066 nan 8.380 nan 0.000 0.510 397 T N 0.135 114.690 114.554 0.001 0.000 2.861 397 T HA 0.493 4.843 4.350 0.000 0.000 0.287 397 T C -0.636 174.061 174.700 -0.005 0.000 1.003 397 T CA -0.527 61.572 62.100 -0.001 0.000 0.977 397 T CB 1.178 70.045 68.868 -0.002 0.000 0.996 397 T HN 0.027 nan 8.240 nan 0.000 0.448 398 I N 4.691 125.260 120.570 -0.002 0.000 2.321 398 I HA 0.463 4.633 4.170 0.000 0.000 0.291 398 I C 0.106 176.214 176.117 -0.015 0.000 0.998 398 I CA -1.040 60.255 61.300 -0.008 0.000 1.227 398 I CB 1.592 39.595 38.000 0.004 0.000 1.368 398 I HN 0.358 nan 8.210 nan 0.000 0.466 399 V N 8.244 128.129 119.914 -0.048 0.000 2.532 399 V HA 0.486 4.606 4.120 0.000 0.000 0.295 399 V C -0.012 176.029 176.094 -0.088 0.000 1.041 399 V CA -0.497 61.770 62.300 -0.056 0.000 0.926 399 V CB 1.846 33.626 31.823 -0.073 0.000 0.992 399 V HN 0.494 nan 8.190 nan 0.000 0.457 400 I N 5.936 126.497 120.570 -0.015 0.000 2.353 400 I HA 0.367 4.537 4.170 0.000 0.000 0.293 400 I C -0.428 175.694 176.117 0.007 0.000 0.992 400 I CA -0.261 61.054 61.300 0.025 0.000 1.268 400 I CB 1.204 39.332 38.000 0.213 0.000 1.387 400 I HN 0.521 nan 8.210 nan 0.000 0.478 401 c N 4.985 123.562 118.600 -0.039 0.000 2.322 401 c HA 0.329 4.899 4.570 0.000 0.000 0.324 401 c C 0.166 174.334 174.090 0.129 0.000 1.284 401 c CA -0.897 55.447 56.329 0.025 0.000 1.606 401 c CB 0.590 43.106 42.510 0.011 0.000 2.251 401 c HN 0.624 nan 8.230 nan 0.000 0.502 402 D N 1.500 121.981 120.400 0.135 0.000 2.368 402 D HA 0.050 4.690 4.640 0.000 0.000 0.240 402 D C 0.002 176.390 176.300 0.145 0.000 1.169 402 D CA 0.389 54.479 54.000 0.151 0.000 0.906 402 D CB 0.611 41.489 40.800 0.130 0.000 1.187 402 D HN 0.575 nan 8.370 nan 0.000 0.435 403 D N 0.726 121.203 120.400 0.129 0.000 2.342 403 D HA -0.033 4.607 4.640 0.000 0.000 0.260 403 D C 0.460 176.817 176.300 0.096 0.000 1.278 403 D CA -0.207 53.863 54.000 0.118 0.000 0.910 403 D CB 0.042 40.898 40.800 0.093 0.000 1.079 403 D HN 0.289 nan 8.370 nan 0.000 0.496 404 N N 2.878 121.638 118.700 0.100 0.000 2.177 404 N HA 0.146 4.886 4.740 0.000 0.000 0.218 404 N C 1.263 176.812 175.510 0.065 0.000 1.182 404 N CA 0.276 53.371 53.050 0.074 0.000 0.882 404 N CB 0.575 39.102 38.487 0.067 0.000 1.052 404 N HN 0.480 nan 8.380 nan 0.000 0.519 405 G N 0.071 108.916 108.800 0.075 0.000 2.225 405 G HA2 -0.263 3.697 3.960 0.000 0.000 0.254 405 G HA3 -0.263 3.697 3.960 0.000 0.000 0.254 405 G C -0.425 174.514 174.900 0.065 0.000 0.988 405 G CA 0.316 45.454 45.100 0.062 0.000 0.625 405 G HN 0.548 nan 8.290 nan 0.000 0.527 406 D N -0.557 119.886 120.400 0.071 0.000 2.502 406 D HA 0.486 5.126 4.640 0.000 0.000 0.301 406 D C 0.967 177.299 176.300 0.054 0.000 1.202 406 D CA -0.811 53.219 54.000 0.049 0.000 0.878 406 D CB -0.355 40.455 40.800 0.015 0.000 1.062 406 D HN 0.079 nan 8.370 nan 0.000 0.499 407 F N 2.229 122.143 119.950 -0.060 0.000 2.134 407 F HA -0.168 4.359 4.527 0.000 0.000 0.299 407 F C 2.106 177.790 175.800 -0.193 0.000 1.097 407 F CA 1.977 59.906 58.000 -0.119 0.000 1.264 407 F CB -0.291 38.599 39.000 -0.185 0.000 1.001 407 F HN 0.236 nan 8.300 nan 0.000 0.479 408 S N -0.933 114.464 115.700 -0.505 0.000 2.419 408 S HA -0.222 4.248 4.470 0.000 0.000 0.233 408 S C 1.745 176.088 174.600 -0.429 0.000 1.016 408 S CA 1.379 59.209 58.200 -0.617 0.000 0.974 408 S CB -0.835 62.212 63.200 -0.254 0.000 0.786 408 S HN 0.603 nan 8.310 nan 0.000 0.492 409 D N 1.189 121.434 120.400 -0.259 0.000 2.162 409 D HA -0.044 4.596 4.640 0.000 0.000 0.203 409 D C 2.282 178.491 176.300 -0.153 0.000 0.967 409 D CA 1.020 54.923 54.000 -0.162 0.000 0.840 409 D CB -0.211 40.540 40.800 -0.082 0.000 0.972 409 D HN 0.527 nan 8.370 nan 0.000 0.482 410 Q N -0.598 119.113 119.800 -0.149 0.000 2.096 410 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 410 Q C 2.076 178.058 176.000 -0.030 0.000 0.982 410 Q CA 1.386 57.184 55.803 -0.008 0.000 0.850 410 Q CB -0.216 28.631 28.738 0.181 0.000 0.901 410 Q HN 0.333 nan 8.270 nan 0.000 0.422 411 M N 0.764 120.111 119.600 -0.420 0.000 2.159 411 M HA -0.179 4.301 4.480 0.000 0.000 0.263 411 M C 1.951 178.113 176.300 -0.229 0.000 1.063 411 M CA 1.628 56.639 55.300 -0.482 0.000 1.110 411 M CB -0.132 31.841 32.600 -1.046 0.000 1.374 411 M HN -0.019 nan 8.290 nan 0.000 0.411 412 R N -0.068 120.301 120.500 -0.219 0.000 2.066 412 R HA -0.114 4.226 4.340 0.000 0.000 0.232 412 R C 1.901 178.163 176.300 -0.064 0.000 1.131 412 R CA 1.729 57.753 56.100 -0.127 0.000 0.955 412 R CB -0.297 29.930 30.300 -0.121 0.000 0.851 412 R HN 0.383 nan 8.270 nan 0.000 0.432 413 I N 1.481 122.023 120.570 -0.048 0.000 2.226 413 I HA -0.276 3.895 4.170 0.000 0.000 0.245 413 I C 2.435 178.555 176.117 0.005 0.000 1.100 413 I CA 1.112 62.402 61.300 -0.017 0.000 1.374 413 I CB -1.032 36.964 38.000 -0.007 0.000 1.057 413 I HN 0.228 nan 8.210 nan 0.000 0.413 414 I N 0.907 121.498 120.570 0.036 0.000 2.127 414 I HA -0.269 3.901 4.170 0.000 0.000 0.241 414 I C 2.586 178.728 176.117 0.041 0.000 1.075 414 I CA 1.642 62.978 61.300 0.060 0.000 1.334 414 I CB -1.680 36.421 38.000 0.169 0.000 1.040 414 I HN 0.217 nan 8.210 nan 0.000 0.405 415 T N 0.422 114.994 114.554 0.031 0.000 2.720 415 T HA -0.242 4.108 4.350 0.000 0.000 0.268 415 T C 2.049 176.758 174.700 0.015 0.000 1.037 415 T CA 1.597 63.712 62.100 0.025 0.000 1.144 415 T CB -0.324 68.547 68.868 0.005 0.000 0.864 415 T HN 0.276 nan 8.240 nan 0.000 0.444 416 R N 0.690 121.191 120.500 0.002 0.000 2.148 416 R HA 0.093 4.433 4.340 0.000 0.000 0.227 416 R C 2.294 178.595 176.300 0.003 0.000 1.103 416 R CA 1.060 57.160 56.100 -0.001 0.000 0.983 416 R CB -0.224 30.069 30.300 -0.011 0.000 0.874 416 R HN 0.368 nan 8.270 nan 0.000 0.451 417 A N 0.326 123.149 122.820 0.005 0.000 2.123 417 A HA 0.079 4.399 4.320 0.000 0.000 0.214 417 A C 0.566 178.155 177.584 0.008 0.000 1.152 417 A CA 0.419 52.458 52.037 0.004 0.000 0.728 417 A CB 0.028 19.028 19.000 0.001 0.000 0.814 417 A HN 0.449 nan 8.150 nan 0.000 0.464 418 R N -1.617 118.891 120.500 0.014 0.000 3.418 418 R HA -0.120 4.220 4.340 0.000 0.000 0.274 418 R C -0.941 175.367 176.300 0.013 0.000 1.108 418 R CA 0.365 56.476 56.100 0.018 0.000 0.741 418 R CB -2.378 27.932 30.300 0.017 0.000 1.223 418 R HN 0.512 nan 8.270 nan 0.000 0.434 419 L N 0.399 121.629 121.223 0.011 0.000 2.439 419 L HA 0.078 4.418 4.340 0.000 0.000 0.269 419 L C 1.924 178.796 176.870 0.003 0.000 1.179 419 L CA -0.258 54.584 54.840 0.004 0.000 0.828 419 L CB 0.578 42.634 42.059 -0.005 0.000 1.106 419 L HN 0.062 nan 8.230 nan 0.000 0.467 420 K N 2.377 122.777 120.400 -0.000 0.000 2.032 420 K HA -0.144 4.176 4.320 0.000 0.000 0.218 420 K C 0.276 176.871 176.600 -0.009 0.000 1.054 420 K CA 1.930 58.214 56.287 -0.004 0.000 0.941 420 K CB 0.086 32.584 32.500 -0.003 0.000 0.720 420 K HN 0.795 nan 8.250 nan 0.000 0.449 421 A N -2.535 120.289 122.820 0.008 0.000 2.511 421 A HA 0.728 5.048 4.320 0.000 0.000 0.293 421 A C -1.746 175.842 177.584 0.006 0.000 1.098 421 A CA -0.523 51.540 52.037 0.044 0.000 0.643 421 A CB 0.650 19.707 19.000 0.095 0.000 1.302 421 A HN 0.390 nan 8.150 nan 0.000 0.446 422 A N -0.163 122.656 122.820 -0.001 0.000 2.486 422 A HA 0.732 5.052 4.320 0.000 0.000 0.300 422 A C -1.202 176.216 177.584 -0.277 0.000 1.048 422 A CA -0.336 51.538 52.037 -0.272 0.000 0.696 422 A CB 0.885 19.493 19.000 -0.654 0.000 1.278 422 A HN 0.906 nan 8.150 nan 0.000 0.405 423 I N 2.447 122.860 120.570 -0.261 0.000 2.307 423 I HA 0.261 4.431 4.170 0.000 0.000 0.287 423 I C -1.172 174.868 176.117 -0.128 0.000 1.054 423 I CA -0.080 61.176 61.300 -0.073 0.000 1.218 423 I CB 0.228 38.237 38.000 0.014 0.000 1.398 423 I HN 0.500 nan 8.210 nan 0.000 0.475 424 F N 6.585 126.650 119.950 0.192 0.000 2.420 424 F HA 0.402 4.929 4.527 0.000 0.000 0.352 424 F C 0.562 176.435 175.800 0.122 0.000 1.108 424 F CA -0.495 57.617 58.000 0.187 0.000 1.162 424 F CB 0.595 39.771 39.000 0.293 0.000 1.118 424 F HN 0.235 nan 8.300 nan 0.000 0.510 425 I N 3.220 123.941 120.570 0.251 0.000 2.312 425 I HA 0.382 4.552 4.170 0.000 0.000 0.291 425 I C 0.093 176.295 176.117 0.142 0.000 1.031 425 I CA 0.018 61.417 61.300 0.164 0.000 1.293 425 I CB 0.999 39.074 38.000 0.125 0.000 1.403 425 I HN 0.611 nan 8.210 nan 0.000 0.484 426 S N 4.590 120.342 115.700 0.086 0.000 2.586 426 S HA 0.329 4.799 4.470 0.000 0.000 0.277 426 S C -0.598 174.023 174.600 0.035 0.000 1.131 426 S CA -0.599 57.622 58.200 0.034 0.000 0.848 426 S CB 1.526 64.702 63.200 -0.040 0.000 1.091 426 S HN 0.710 nan 8.310 nan 0.000 0.453 427 E N 0.882 121.117 120.200 0.057 0.000 2.759 427 E HA 0.137 4.487 4.350 0.000 0.000 0.220 427 E C -1.245 175.437 176.600 0.137 0.000 0.974 427 E CA -0.324 56.158 56.400 0.137 0.000 1.148 427 E CB 0.585 30.328 29.700 0.071 0.000 1.059 427 E HN 0.606 nan 8.360 nan 0.000 0.493 428 D N 1.889 122.316 120.400 0.045 0.000 2.451 428 D HA -0.026 4.614 4.640 0.000 0.000 0.254 428 D C -1.595 174.744 176.300 0.064 0.000 1.204 428 D CA -1.670 52.346 54.000 0.027 0.000 0.896 428 D CB 1.175 41.970 40.800 -0.009 0.000 1.136 428 D HN -0.090 nan 8.370 nan 0.000 0.499 429 P HA -0.047 nan 4.420 nan 0.000 0.221 429 P C 1.297 178.672 177.300 0.126 0.000 1.145 429 P CA 1.104 64.302 63.100 0.163 0.000 0.795 429 P CB 0.144 31.896 31.700 0.088 0.000 0.775 430 G N -0.245 108.579 108.800 0.039 0.000 2.422 430 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 430 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 430 G C 1.567 176.425 174.900 -0.069 0.000 1.146 430 G CA 0.529 45.637 45.100 0.014 0.000 0.769 430 G HN 0.167 nan 8.290 nan 0.000 0.547 431 V N 0.350 120.103 119.914 -0.268 0.000 2.407 431 V HA -0.099 4.021 4.120 0.000 0.000 0.248 431 V C 2.077 177.716 176.094 -0.758 0.000 1.055 431 V CA 1.221 63.160 62.300 -0.600 0.000 1.049 431 V CB -0.603 30.486 31.823 -1.222 0.000 0.662 431 V HN 0.364 nan 8.190 nan 0.000 0.455 432 F N -0.311 119.336 119.950 -0.506 0.000 2.731 432 F HA 0.232 4.760 4.527 0.000 0.000 0.304 432 F C 1.986 177.668 175.800 -0.197 0.000 1.133 432 F CA 0.292 57.832 58.000 -0.767 0.000 1.380 432 F CB -0.240 38.334 39.000 -0.711 0.000 1.079 432 F HN -0.024 nan 8.300 nan 0.000 0.550 433 R N -1.442 119.094 120.500 0.060 0.000 2.487 433 R HA 0.192 4.532 4.340 0.000 0.000 0.272 433 R C 0.486 176.853 176.300 0.110 0.000 0.928 433 R CA 0.046 56.209 56.100 0.105 0.000 1.077 433 R CB 0.797 31.135 30.300 0.063 0.000 1.265 433 R HN 0.049 nan 8.270 nan 0.000 0.537 434 S N -0.361 115.418 115.700 0.131 0.000 2.509 434 S HA 0.538 5.008 4.470 0.000 0.000 0.297 434 S C 0.299 175.016 174.600 0.194 0.000 1.118 434 S CA -0.490 57.791 58.200 0.135 0.000 1.074 434 S CB 1.824 65.097 63.200 0.121 0.000 1.038 434 S HN 0.263 nan 8.310 nan 0.000 0.498 435 A N 3.197 126.074 122.820 0.094 0.000 2.423 435 A HA 0.320 4.640 4.320 0.000 0.000 0.246 435 A C 0.609 178.251 177.584 0.097 0.000 1.278 435 A CA -0.201 51.855 52.037 0.032 0.000 0.903 435 A CB -0.277 18.653 19.000 -0.116 0.000 0.997 435 A HN 0.690 nan 8.150 nan 0.000 0.510 436 T N 0.652 115.284 114.554 0.130 0.000 2.775 436 T HA 0.365 4.715 4.350 0.000 0.000 0.287 436 T C -0.954 173.833 174.700 0.145 0.000 0.909 436 T CA 0.667 62.827 62.100 0.101 0.000 1.081 436 T CB -0.615 68.281 68.868 0.048 0.000 0.891 436 T HN 0.238 nan 8.240 nan 0.000 0.544 437 F N 6.207 126.167 119.950 0.017 0.000 2.824 437 F HA 0.299 4.826 4.527 0.000 0.000 0.368 437 F C -2.135 173.730 175.800 0.108 0.000 1.398 437 F CA -2.145 55.902 58.000 0.078 0.000 1.142 437 F CB 1.803 40.867 39.000 0.107 0.000 1.997 437 F HN 0.310 nan 8.300 nan 0.000 0.598 438 P HA -0.003 nan 4.420 nan 0.000 0.245 438 P C -0.430 177.077 177.300 0.346 0.000 1.212 438 P CA 0.741 63.946 63.100 0.175 0.000 0.774 438 P CB 0.235 31.973 31.700 0.063 0.000 0.999 439 N N -0.257 118.677 118.700 0.390 0.000 2.260 439 N HA 0.376 5.116 4.740 0.000 0.000 0.293 439 N C -2.946 172.663 175.510 0.165 0.000 1.058 439 N CA -2.328 50.871 53.050 0.249 0.000 0.824 439 N CB 1.712 40.279 38.487 0.133 0.000 1.551 439 N HN -0.305 nan 8.380 nan 0.000 0.475 440 P HA 0.181 nan 4.420 nan 0.000 0.262 440 P C -0.438 177.000 177.300 0.231 0.000 1.182 440 P CA 0.324 63.103 63.100 -0.535 0.000 0.761 440 P CB 0.647 31.950 31.700 -0.662 0.000 0.795 441 G N 0.580 109.748 108.800 0.612 0.000 2.328 441 G HA2 0.476 4.436 3.960 0.000 0.000 0.295 441 G HA3 0.476 4.436 3.960 0.000 0.000 0.295 441 G C -1.958 173.410 174.900 0.779 0.000 1.413 441 G CA -0.550 44.980 45.100 0.716 0.000 0.817 441 G HN 0.358 nan 8.290 nan 0.000 0.546 442 V N -0.792 119.513 119.914 0.652 0.000 2.925 442 V HA 0.741 4.861 4.120 0.000 0.000 0.311 442 V C -0.305 176.135 176.094 0.577 0.000 1.104 442 V CA -0.938 61.669 62.300 0.513 0.000 0.954 442 V CB 1.827 33.800 31.823 0.250 0.000 1.022 442 V HN 0.791 nan 8.190 nan 0.000 0.427 443 V N 3.959 124.169 119.914 0.493 0.000 2.370 443 V HA 0.655 4.775 4.120 0.000 0.000 0.283 443 V C -0.069 176.178 176.094 0.255 0.000 1.023 443 V CA -0.435 62.061 62.300 0.327 0.000 0.857 443 V CB 1.632 33.501 31.823 0.075 0.000 0.985 443 V HN 0.816 nan 8.190 nan 0.000 0.443 444 V N 2.211 122.241 119.914 0.195 0.000 2.960 444 V HA 0.751 4.871 4.120 0.000 0.000 0.315 444 V C -0.127 176.040 176.094 0.122 0.000 1.087 444 V CA -1.055 61.335 62.300 0.150 0.000 0.982 444 V CB 1.946 33.834 31.823 0.108 0.000 1.039 444 V HN 0.874 nan 8.190 nan 0.000 0.437 445 N N 1.787 120.546 118.700 0.099 0.000 2.327 445 N HA 0.227 4.967 4.740 0.000 0.000 0.257 445 N C 0.633 176.173 175.510 0.050 0.000 1.281 445 N CA -0.415 52.678 53.050 0.071 0.000 0.942 445 N CB 0.250 38.761 38.487 0.040 0.000 1.199 445 N HN 0.642 nan 8.380 nan 0.000 0.532 446 K N -0.027 120.395 120.400 0.037 0.000 2.057 446 K HA -0.158 4.162 4.320 0.000 0.000 0.207 446 K C 1.583 178.191 176.600 0.014 0.000 1.049 446 K CA 1.257 57.561 56.287 0.028 0.000 0.931 446 K CB -0.360 32.154 32.500 0.023 0.000 0.714 446 K HN 0.715 nan 8.250 nan 0.000 0.440 447 K N 1.362 121.766 120.400 0.007 0.000 1.985 447 K HA -0.177 4.143 4.320 0.000 0.000 0.210 447 K C 1.832 178.429 176.600 -0.004 0.000 1.047 447 K CA 1.761 58.046 56.287 -0.003 0.000 0.932 447 K CB -0.013 32.482 32.500 -0.008 0.000 0.716 447 K HN 0.115 nan 8.250 nan 0.000 0.439 448 E N -0.464 119.738 120.200 0.002 0.000 2.118 448 E HA -0.166 4.184 4.350 0.000 0.000 0.195 448 E C 1.969 178.570 176.600 0.002 0.000 0.992 448 E CA 1.131 57.532 56.400 0.001 0.000 0.804 448 E CB -0.276 29.432 29.700 0.013 0.000 0.741 448 E HN 0.587 nan 8.360 nan 0.000 0.458 449 G N 1.333 110.141 108.800 0.013 0.000 2.450 449 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 449 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 449 G C 1.426 176.305 174.900 -0.035 0.000 1.130 449 G CA 0.765 45.869 45.100 0.007 0.000 0.760 449 G HN 0.139 nan 8.290 nan 0.000 0.557 450 K N -0.159 120.221 120.400 -0.033 0.000 2.103 450 K HA -0.011 4.309 4.320 0.000 0.000 0.204 450 K C 2.749 179.318 176.600 -0.051 0.000 1.052 450 K CA 0.957 57.211 56.287 -0.055 0.000 0.945 450 K CB -0.114 32.366 32.500 -0.034 0.000 0.722 450 K HN 0.360 nan 8.250 nan 0.000 0.443 451 Q N 0.378 120.161 119.800 -0.028 0.000 2.050 451 Q HA -0.146 4.195 4.340 0.000 0.000 0.202 451 Q C 2.179 178.181 176.000 0.004 0.000 0.980 451 Q CA 1.501 57.295 55.803 -0.014 0.000 0.840 451 Q CB -0.156 28.571 28.738 -0.018 0.000 0.898 451 Q HN 0.073 nan 8.270 nan 0.000 0.424 452 V N 1.237 121.147 119.914 -0.006 0.000 2.287 452 V HA -0.279 3.841 4.120 0.000 0.000 0.248 452 V C 2.174 178.281 176.094 0.021 0.000 1.053 452 V CA 1.727 64.042 62.300 0.026 0.000 1.027 452 V CB -0.539 31.291 31.823 0.012 0.000 0.646 452 V HN 0.369 nan 8.190 nan 0.000 0.447 453 I N 0.322 120.824 120.570 -0.114 0.000 2.286 453 I HA -0.254 3.916 4.170 0.000 0.000 0.248 453 I C 2.400 178.405 176.117 -0.188 0.000 1.115 453 I CA 1.907 63.024 61.300 -0.306 0.000 1.392 453 I CB -0.555 37.098 38.000 -0.579 0.000 1.065 453 I HN 0.389 nan 8.210 nan 0.000 0.418 454 N N 0.717 119.362 118.700 -0.092 0.000 2.058 454 N HA -0.278 4.462 4.740 0.000 0.000 0.191 454 N C 1.959 177.470 175.510 0.001 0.000 1.037 454 N CA 1.509 54.533 53.050 -0.044 0.000 0.848 454 N CB -0.426 38.051 38.487 -0.015 0.000 1.021 454 N HN 0.356 nan 8.380 nan 0.000 0.422 455 Y N 0.694 120.957 120.300 -0.061 0.000 2.102 455 Y HA -0.248 4.302 4.550 0.000 0.000 0.280 455 Y C 1.990 177.871 175.900 -0.032 0.000 1.178 455 Y CA 1.739 59.815 58.100 -0.041 0.000 1.146 455 Y CB -0.648 37.790 38.460 -0.037 0.000 0.968 455 Y HN -0.046 nan 8.280 nan 0.000 0.504 456 V N 0.822 120.629 119.914 -0.177 0.000 2.295 456 V HA -0.294 3.826 4.120 0.000 0.000 0.246 456 V C 2.347 178.332 176.094 -0.182 0.000 1.049 456 V CA 2.375 64.531 62.300 -0.240 0.000 1.024 456 V CB -0.609 31.199 31.823 -0.025 0.000 0.648 456 V HN 0.348 nan 8.190 nan 0.000 0.447 457 K N 0.342 120.677 120.400 -0.109 0.000 2.148 457 K HA -0.075 4.245 4.320 0.000 0.000 0.204 457 K C 0.878 177.429 176.600 -0.082 0.000 1.050 457 K CA 1.066 57.316 56.287 -0.061 0.000 0.942 457 K CB -0.146 32.332 32.500 -0.037 0.000 0.724 457 K HN 0.421 nan 8.250 nan 0.000 0.446 458 N N 0.788 119.419 118.700 -0.115 0.000 2.455 458 N HA 0.076 4.816 4.740 0.000 0.000 0.258 458 N C -1.213 174.210 175.510 -0.145 0.000 1.158 458 N CA 0.141 53.132 53.050 -0.098 0.000 0.893 458 N CB 1.076 39.527 38.487 -0.061 0.000 1.173 458 N HN -0.111 nan 8.380 nan 0.000 0.503 459 S N -0.586 115.002 115.700 -0.186 0.000 2.548 459 S HA 0.278 4.748 4.470 0.000 0.000 0.278 459 S C -0.483 174.025 174.600 -0.153 0.000 1.150 459 S CA -0.994 57.081 58.200 -0.208 0.000 0.907 459 S CB 2.117 65.072 63.200 -0.409 0.000 1.108 459 S HN 0.046 nan 8.310 nan 0.000 0.459 460 V N -0.079 119.775 119.914 -0.100 0.000 2.364 460 V HA 0.831 4.951 4.120 0.000 0.000 0.272 460 V C 0.208 176.265 176.094 -0.061 0.000 1.036 460 V CA -0.250 62.009 62.300 -0.068 0.000 0.880 460 V CB 0.083 31.881 31.823 -0.042 0.000 0.991 460 V HN 1.055 nan 8.190 nan 0.000 0.460 461 T N 4.562 119.083 114.554 -0.055 0.000 4.553 461 T HA -0.086 4.264 4.350 0.000 0.000 0.327 461 T C -1.799 172.882 174.700 -0.032 0.000 0.792 461 T CA 0.243 62.325 62.100 -0.030 0.000 2.026 461 T CB -1.591 67.269 68.868 -0.013 0.000 1.914 461 T HN 0.903 nan 8.240 nan 0.000 0.987 462 P HA 0.419 nan 4.420 nan 0.000 0.271 462 P C 0.171 177.542 177.300 0.117 0.000 1.226 462 P CA 0.171 63.222 63.100 -0.081 0.000 0.765 462 P CB 0.759 32.293 31.700 -0.277 0.000 0.835 463 T N -0.107 114.595 114.554 0.247 0.000 2.916 463 T HA 0.849 5.199 4.350 0.000 0.000 0.292 463 T C -0.773 173.998 174.700 0.118 0.000 1.064 463 T CA -0.940 61.244 62.100 0.140 0.000 1.011 463 T CB 2.040 70.954 68.868 0.076 0.000 1.152 463 T HN 0.520 nan 8.240 nan 0.000 0.510 464 A N 0.689 123.528 122.820 0.031 0.000 2.572 464 A HA 0.805 5.125 4.320 0.000 0.000 0.295 464 A C -0.487 177.058 177.584 -0.065 0.000 1.072 464 A CA -0.864 51.157 52.037 -0.026 0.000 0.691 464 A CB 1.748 20.744 19.000 -0.008 0.000 1.291 464 A HN 0.910 nan 8.150 nan 0.000 0.404 465 T N 1.233 115.731 114.554 -0.094 0.000 2.876 465 T HA 0.700 5.050 4.350 0.000 0.000 0.289 465 T C -0.866 173.744 174.700 -0.149 0.000 1.014 465 T CA -0.107 61.918 62.100 -0.126 0.000 0.986 465 T CB 0.781 69.578 68.868 -0.119 0.000 1.021 465 T HN 0.499 nan 8.240 nan 0.000 0.458 466 I N 2.688 123.138 120.570 -0.200 0.000 2.548 466 I HA 0.371 4.541 4.170 0.000 0.000 0.287 466 I C 0.279 176.073 176.117 -0.539 0.000 1.103 466 I CA -0.940 60.147 61.300 -0.354 0.000 1.049 466 I CB 2.326 40.109 38.000 -0.360 0.000 1.232 466 I HN 0.644 nan 8.210 nan 0.000 0.429 467 T N 1.449 115.694 114.554 -0.516 0.000 2.944 467 T HA 0.787 5.137 4.350 0.000 0.000 0.284 467 T C -0.526 173.782 174.700 -0.652 0.000 1.010 467 T CA -0.410 61.446 62.100 -0.406 0.000 1.025 467 T CB 1.750 70.543 68.868 -0.124 0.000 1.079 467 T HN 0.264 nan 8.240 nan 0.000 0.516 468 F N -0.627 119.355 119.950 0.053 0.000 2.814 468 F HA 0.538 5.066 4.527 0.000 0.000 0.353 468 F C 0.807 176.563 175.800 -0.073 0.000 1.177 468 F CA -1.268 56.772 58.000 0.067 0.000 1.036 468 F CB 0.829 39.930 39.000 0.168 0.000 1.455 468 F HN 0.648 nan 8.300 nan 0.000 0.520 469 Q N -0.425 119.329 119.800 -0.077 0.000 2.457 469 Q HA -0.214 4.127 4.340 0.000 0.000 0.283 469 Q C -1.160 174.589 176.000 -0.419 0.000 1.234 469 Q CA 0.726 56.031 55.803 -0.831 0.000 0.877 469 Q CB -1.606 26.845 28.738 -0.479 0.000 1.250 469 Q HN 0.561 nan 8.270 nan 0.000 0.481 470 E N 0.519 120.647 120.200 -0.120 0.000 2.166 470 E HA 0.481 4.831 4.350 0.000 0.000 0.275 470 E C -0.144 176.436 176.600 -0.034 0.000 0.941 470 E CA -0.377 55.951 56.400 -0.120 0.000 0.784 470 E CB 1.937 31.623 29.700 -0.023 0.000 1.115 470 E HN 0.140 nan 8.360 nan 0.000 0.399 471 T N 2.201 116.589 114.554 -0.277 0.000 2.879 471 T HA 0.484 4.834 4.350 0.000 0.000 0.290 471 T C -1.516 172.893 174.700 -0.485 0.000 0.993 471 T CA -0.483 61.514 62.100 -0.171 0.000 0.975 471 T CB 0.332 69.261 68.868 0.102 0.000 0.981 471 T HN 0.335 nan 8.240 nan 0.000 0.439 472 Y N 3.096 123.310 120.300 -0.143 0.000 2.509 472 Y HA 0.760 5.310 4.550 0.000 0.000 0.341 472 Y C 0.173 175.945 175.900 -0.214 0.000 1.038 472 Y CA -1.119 56.897 58.100 -0.141 0.000 1.089 472 Y CB 1.734 40.136 38.460 -0.097 0.000 1.241 472 Y HN 0.544 nan 8.280 nan 0.000 0.468 476 K N 2.529 122.894 120.400 -0.058 0.000 2.468 476 K HA 0.712 5.032 4.320 0.000 0.000 0.252 476 K C -2.430 174.122 176.600 -0.080 0.000 0.932 476 K CA -1.658 54.598 56.287 -0.052 0.000 0.794 476 K CB 1.912 34.390 32.500 -0.038 0.000 1.241 476 K HN 0.350 nan 8.250 nan 0.000 0.428 477 P HA 0.634 nan 4.420 nan 0.000 0.283 477 P C -1.580 175.691 177.300 -0.047 0.000 1.271 477 P CA -0.813 62.255 63.100 -0.053 0.000 0.841 477 P CB 1.510 33.179 31.700 -0.052 0.000 1.122 478 A N 1.293 124.112 122.820 -0.003 0.000 2.566 478 A HA 0.679 4.999 4.320 0.000 0.000 0.297 478 A C -2.950 174.675 177.584 0.068 0.000 1.059 478 A CA -1.078 50.983 52.037 0.040 0.000 0.691 478 A CB 1.356 20.394 19.000 0.065 0.000 1.282 478 A HN 0.470 nan 8.150 nan 0.000 0.401 479 P HA 0.673 nan 4.420 nan 0.000 0.282 479 P C -0.816 176.506 177.300 0.036 0.000 1.287 479 P CA -0.456 62.678 63.100 0.055 0.000 0.792 479 P CB 1.170 32.864 31.700 -0.011 0.000 1.163 480 V N -0.445 119.522 119.914 0.087 0.000 2.733 480 V HA 0.135 4.255 4.120 0.000 0.000 0.306 480 V C 0.031 176.237 176.094 0.187 0.000 1.084 480 V CA -0.942 61.403 62.300 0.074 0.000 0.905 480 V CB 2.203 33.993 31.823 -0.055 0.000 1.010 480 V HN 0.235 nan 8.190 nan 0.000 0.424 481 V N 3.938 123.930 119.914 0.130 0.000 2.529 481 V HA 0.332 4.452 4.120 0.000 0.000 0.292 481 V C 1.062 177.257 176.094 0.168 0.000 1.028 481 V CA 0.258 62.638 62.300 0.133 0.000 1.074 481 V CB 1.054 32.928 31.823 0.086 0.000 0.958 481 V HN 1.076 nan 8.190 nan 0.000 0.481 482 A N 4.720 127.629 122.820 0.149 0.000 2.498 482 A HA 0.476 4.796 4.320 0.000 0.000 0.239 482 A C 1.571 179.219 177.584 0.107 0.000 1.068 482 A CA 0.347 52.466 52.037 0.136 0.000 0.766 482 A CB 0.274 19.268 19.000 -0.010 0.000 1.003 482 A HN 1.348 nan 8.150 nan 0.000 0.497 483 A N 1.766 124.657 122.820 0.119 0.000 2.070 483 A HA -0.018 4.303 4.320 0.000 0.000 0.220 483 A C 2.167 179.787 177.584 0.059 0.000 1.159 483 A CA 2.074 54.157 52.037 0.077 0.000 0.656 483 A CB -0.568 18.476 19.000 0.073 0.000 0.800 483 A HN 1.664 nan 8.150 nan 0.000 0.453 484 S N -1.453 114.280 115.700 0.055 0.000 2.535 484 S HA 0.173 4.643 4.470 0.000 0.000 0.214 484 S C 0.849 175.472 174.600 0.038 0.000 0.980 484 S CA 0.473 58.699 58.200 0.043 0.000 0.907 484 S CB -0.455 62.767 63.200 0.037 0.000 0.790 484 S HN 0.304 nan 8.310 nan 0.000 0.510 485 S N 2.423 118.147 115.700 0.040 0.000 2.515 485 S HA 0.528 4.999 4.470 0.000 0.000 0.285 485 S C 0.589 175.211 174.600 0.037 0.000 1.265 485 S CA -0.212 58.011 58.200 0.038 0.000 1.079 485 S CB -0.244 62.983 63.200 0.044 0.000 0.877 485 S HN 0.739 nan 8.310 nan 0.000 0.493 486 A N 6.411 129.251 122.820 0.034 0.000 2.520 486 A HA 0.410 4.730 4.320 0.000 0.000 0.235 486 A C 0.463 178.062 177.584 0.024 0.000 1.065 486 A CA 0.028 52.083 52.037 0.030 0.000 0.764 486 A CB 0.250 19.268 19.000 0.030 0.000 1.002 486 A HN 0.833 nan 8.150 nan 0.000 0.502 487 R N 0.871 121.381 120.500 0.016 0.000 2.832 487 R HA 0.597 4.937 4.340 0.000 0.000 0.271 487 R C 0.558 176.847 176.300 -0.019 0.000 0.996 487 R CA -0.053 56.050 56.100 0.004 0.000 0.977 487 R CB 1.259 31.564 30.300 0.009 0.000 1.168 487 R HN 0.853 nan 8.270 nan 0.000 0.482 488 G N 1.240 110.021 108.800 -0.031 0.000 2.525 488 G HA2 0.447 4.407 3.960 0.000 0.000 0.287 488 G HA3 0.447 4.407 3.960 0.000 0.000 0.287 488 G C -2.280 172.576 174.900 -0.073 0.000 1.350 488 G CA -0.972 44.090 45.100 -0.063 0.000 1.039 488 G HN 0.290 nan 8.290 nan 0.000 0.513 489 P HA 0.171 nan 4.420 nan 0.000 0.275 489 P C -0.133 177.065 177.300 -0.170 0.000 1.266 489 P CA -0.278 62.746 63.100 -0.127 0.000 0.793 489 P CB 0.974 32.588 31.700 -0.144 0.000 1.074 490 S N 0.117 115.711 115.700 -0.176 0.000 2.488 490 S HA 0.078 4.548 4.470 0.000 0.000 0.278 490 S C 1.087 175.481 174.600 -0.343 0.000 1.259 490 S CA -0.442 57.625 58.200 -0.221 0.000 1.061 490 S CB -0.478 62.638 63.200 -0.141 0.000 0.910 490 S HN 0.225 nan 8.310 nan 0.000 0.491 491 R N 3.274 123.405 120.500 -0.614 0.000 2.313 491 R HA 0.092 4.433 4.340 0.000 0.000 0.199 491 R C 1.399 177.220 176.300 -0.797 0.000 0.958 491 R CA 0.332 55.889 56.100 -0.905 0.000 1.047 491 R CB -0.032 29.334 30.300 -1.556 0.000 0.955 491 R HN 0.496 nan 8.270 nan 0.000 0.481 492 S N -0.303 115.151 115.700 -0.409 0.000 2.470 492 S HA 0.032 4.502 4.470 0.000 0.000 0.222 492 S C -0.438 174.223 174.600 0.101 0.000 1.024 492 S CA 0.259 58.451 58.200 -0.013 0.000 0.931 492 S CB 0.198 63.456 63.200 0.098 0.000 0.791 492 S HN 0.384 nan 8.310 nan 0.000 0.513 493 Y N 0.206 120.418 120.300 -0.146 0.000 2.262 493 Y HA 0.304 4.854 4.550 0.000 0.000 0.317 493 Y C -0.098 175.714 175.900 -0.146 0.000 1.230 493 Y CA -0.717 57.320 58.100 -0.106 0.000 1.166 493 Y CB 0.182 38.581 38.460 -0.102 0.000 1.254 493 Y HN -0.095 nan 8.280 nan 0.000 0.405 494 L N 3.989 124.912 121.223 -0.501 0.000 2.131 494 L HA 0.059 4.399 4.340 0.000 0.000 0.206 494 L C 2.329 178.945 176.870 -0.423 0.000 1.087 494 L CA 1.400 56.013 54.840 -0.379 0.000 0.767 494 L CB -0.440 41.437 42.059 -0.302 0.000 0.917 494 L HN 0.971 nan 8.230 nan 0.000 0.441 495 G N 0.887 109.204 108.800 -0.805 0.000 2.545 495 G HA2 -0.226 3.734 3.960 0.000 0.000 0.222 495 G HA3 -0.226 3.734 3.960 0.000 0.000 0.222 495 G C 0.865 175.703 174.900 -0.103 0.000 1.126 495 G CA 0.658 45.488 45.100 -0.450 0.000 0.754 495 G HN 0.275 nan 8.290 nan 0.000 0.583 496 I N 0.681 121.241 120.570 -0.017 0.000 2.362 496 I HA 0.213 4.383 4.170 0.000 0.000 0.289 496 I C 0.279 176.271 176.117 -0.208 0.000 0.994 496 I CA -0.579 60.621 61.300 -0.166 0.000 1.158 496 I CB 1.939 39.736 38.000 -0.339 0.000 1.315 496 I HN -0.014 nan 8.210 nan 0.000 0.451 497 S N 6.403 121.979 115.700 -0.207 0.000 2.558 497 S HA 0.146 4.616 4.470 0.000 0.000 0.291 497 S C -0.333 174.208 174.600 -0.098 0.000 1.306 497 S CA 0.278 58.402 58.200 -0.127 0.000 1.056 497 S CB 0.064 63.212 63.200 -0.088 0.000 0.836 497 S HN 0.456 nan 8.310 nan 0.000 0.504 498 K N 3.731 124.091 120.400 -0.066 0.000 2.551 498 K HA 0.481 4.801 4.320 0.000 0.000 0.269 498 K C -2.816 173.770 176.600 -0.023 0.000 0.949 498 K CA -1.904 54.361 56.287 -0.037 0.000 0.849 498 K CB 1.669 34.135 32.500 -0.057 0.000 1.411 498 K HN 0.348 nan 8.250 nan 0.000 0.432 499 P HA 0.166 nan 4.420 nan 0.000 0.286 499 P C -0.197 177.124 177.300 0.036 0.000 1.293 499 P CA 0.019 63.130 63.100 0.018 0.000 0.770 499 P CB 0.904 32.621 31.700 0.028 0.000 1.206 500 D N -1.028 119.405 120.400 0.054 0.000 2.262 500 D HA 0.206 4.847 4.640 0.000 0.000 0.212 500 D C 0.798 177.125 176.300 0.045 0.000 0.964 500 D CA 0.959 55.001 54.000 0.070 0.000 0.875 500 D CB 0.699 41.552 40.800 0.088 0.000 0.996 500 D HN 0.262 nan 8.370 nan 0.000 0.497 501 I N 0.078 120.673 120.570 0.041 0.000 3.066 501 I HA 0.169 4.339 4.170 0.000 0.000 0.307 501 I C -2.024 174.113 176.117 0.034 0.000 1.366 501 I CA -0.769 60.549 61.300 0.030 0.000 0.972 501 I CB 2.897 40.907 38.000 0.016 0.000 1.307 501 I HN -0.255 nan 8.210 nan 0.000 0.470 502 L N 4.821 126.061 121.223 0.028 0.000 2.329 502 L HA 0.915 5.255 4.340 0.000 0.000 0.279 502 L C -0.904 175.946 176.870 -0.034 0.000 1.014 502 L CA -0.152 54.722 54.840 0.057 0.000 0.814 502 L CB 1.385 43.530 42.059 0.143 0.000 1.257 502 L HN 0.830 nan 8.230 nan 0.000 0.424 503 A N 5.713 128.543 122.820 0.015 0.000 2.606 503 A HA 0.799 5.119 4.320 0.000 0.000 0.293 503 A C -2.816 174.798 177.584 0.050 0.000 1.082 503 A CA -1.232 50.768 52.037 -0.061 0.000 0.685 503 A CB 1.734 20.711 19.000 -0.038 0.000 1.284 503 A HN 0.512 nan 8.150 nan 0.000 0.408 504 P HA 0.297 nan 4.420 nan 0.000 0.263 504 P C 0.708 178.004 177.300 -0.007 0.000 1.195 504 P CA 0.946 64.032 63.100 -0.023 0.000 0.762 504 P CB 0.828 32.415 31.700 -0.188 0.000 0.799 505 G N 1.886 110.707 108.800 0.036 0.000 3.531 505 G HA2 0.122 4.082 3.960 0.000 0.000 0.212 505 G HA3 0.122 4.082 3.960 0.000 0.000 0.212 505 G C -0.378 174.534 174.900 0.021 0.000 1.146 505 G CA 0.075 45.217 45.100 0.070 0.000 0.916 505 G HN 0.391 nan 8.290 nan 0.000 0.637 506 V N 2.518 122.402 119.914 -0.050 0.000 2.406 506 V HA 0.355 4.475 4.120 0.000 0.000 0.272 506 V C 0.875 176.997 176.094 0.047 0.000 1.043 506 V CA -0.535 61.709 62.300 -0.093 0.000 0.915 506 V CB 1.022 32.606 31.823 -0.398 0.000 0.988 506 V HN 0.377 nan 8.190 nan 0.000 0.466 507 L N 5.799 127.077 121.223 0.091 0.000 3.887 507 L HA -0.186 4.155 4.340 0.000 0.000 0.546 507 L C -0.198 176.786 176.870 0.190 0.000 1.196 507 L CA 0.190 55.123 54.840 0.154 0.000 0.777 507 L CB -1.227 41.015 42.059 0.305 0.000 1.346 507 L HN 0.456 nan 8.230 nan 0.000 0.810 508 I N 1.276 121.961 120.570 0.192 0.000 2.428 508 I HA 0.298 4.468 4.170 0.000 0.000 0.296 508 I C 0.295 176.572 176.117 0.268 0.000 0.985 508 I CA -0.431 61.015 61.300 0.244 0.000 1.260 508 I CB 1.545 39.723 38.000 0.296 0.000 1.389 508 I HN 0.140 nan 8.210 nan 0.000 0.484 509 L N 5.705 127.056 121.223 0.214 0.000 2.276 509 L HA 0.717 5.057 4.340 0.000 0.000 0.286 509 L C -0.117 176.801 176.870 0.080 0.000 1.061 509 L CA 0.312 55.266 54.840 0.191 0.000 0.807 509 L CB 0.836 43.002 42.059 0.178 0.000 1.177 509 L HN 0.811 nan 8.230 nan 0.000 0.429 510 A N 3.859 126.672 122.820 -0.012 0.000 2.588 510 A HA 0.892 5.212 4.320 0.000 0.000 0.290 510 A C -0.744 176.773 177.584 -0.113 0.000 1.136 510 A CA -0.341 51.548 52.037 -0.247 0.000 0.681 510 A CB 0.561 18.960 19.000 -1.001 0.000 1.282 510 A HN 1.031 nan 8.150 nan 0.000 0.421 511 A N -0.595 122.064 122.820 -0.269 0.000 2.492 511 A HA 0.533 4.853 4.320 0.000 0.000 0.236 511 A C -0.658 176.860 177.584 -0.110 0.000 1.078 511 A CA 0.702 52.366 52.037 -0.622 0.000 0.773 511 A CB -0.042 18.622 19.000 -0.560 0.000 1.023 511 A HN 1.685 nan 8.150 nan 0.000 0.504 512 Y N -0.186 119.890 120.300 -0.374 0.000 2.558 512 Y HA 0.453 5.003 4.550 0.000 0.000 0.333 512 Y C -2.635 173.089 175.900 -0.293 0.000 1.125 512 Y CA -1.981 56.008 58.100 -0.185 0.000 1.039 512 Y CB 2.086 40.467 38.460 -0.132 0.000 1.331 512 Y HN 0.475 nan 8.280 nan 0.000 0.456 513 P HA 0.103 nan 4.420 nan 0.000 0.264 513 P C -2.217 174.672 177.300 -0.686 0.000 1.193 513 P CA -0.824 61.782 63.100 -0.825 0.000 0.763 513 P CB 0.580 31.861 31.700 -0.697 0.000 0.810 514 P HA -0.088 nan 4.420 nan 0.000 0.233 514 P C 0.274 177.376 177.300 -0.331 0.000 1.167 514 P CA 1.218 64.047 63.100 -0.452 0.000 0.770 514 P CB 0.043 31.509 31.700 -0.389 0.000 0.837 515 N N -0.006 118.433 118.700 -0.435 0.000 2.328 515 N HA 0.129 4.869 4.740 0.000 0.000 0.247 515 N C -0.159 175.280 175.510 -0.119 0.000 1.165 515 N CA -0.691 52.233 53.050 -0.210 0.000 0.873 515 N CB -0.143 38.254 38.487 -0.150 0.000 1.125 515 N HN -0.003 nan 8.380 nan 0.000 0.513 516 V N -3.659 116.192 119.914 -0.105 0.000 3.040 516 V HA 0.618 4.738 4.120 0.000 0.000 0.312 516 V C -0.097 176.076 176.094 0.132 0.000 1.115 516 V CA -1.572 60.736 62.300 0.015 0.000 0.998 516 V CB 1.335 33.133 31.823 -0.041 0.000 1.042 516 V HN 0.032 nan 8.190 nan 0.000 0.433 517 F N 3.054 123.040 119.950 0.061 0.000 2.612 517 F HA 0.484 5.011 4.527 0.000 0.000 0.389 517 F C 0.907 176.800 175.800 0.155 0.000 1.055 517 F CA 0.832 58.881 58.000 0.081 0.000 1.232 517 F CB 0.835 39.867 39.000 0.054 0.000 1.044 517 F HN 0.904 nan 8.300 nan 0.000 0.560 518 A N 3.975 126.405 122.820 -0.649 0.000 2.011 518 A HA 0.350 4.671 4.320 0.000 0.000 0.204 518 A C 0.647 177.683 177.584 -0.912 0.000 1.520 518 A CA 0.921 52.619 52.037 -0.565 0.000 0.819 518 A CB -0.070 18.839 19.000 -0.153 0.000 1.087 518 A HN 0.728 nan 8.150 nan 0.000 0.526 519 T N -2.248 111.815 114.554 -0.818 0.000 2.645 519 T HA 0.564 4.914 4.350 0.000 0.000 0.300 519 T C -1.443 173.097 174.700 -0.265 0.000 1.210 519 T CA 0.336 62.091 62.100 -0.575 0.000 1.034 519 T CB 1.468 70.078 68.868 -0.429 0.000 1.537 519 T HN 0.537 nan 8.240 nan 0.000 0.492 520 S N 0.125 115.758 115.700 -0.112 0.000 2.569 520 S HA 0.833 5.303 4.470 0.000 0.000 0.280 520 S C -1.630 172.910 174.600 -0.101 0.000 1.111 520 S CA -0.679 57.526 58.200 0.009 0.000 0.887 520 S CB 0.808 64.108 63.200 0.166 0.000 1.095 520 S HN 0.571 nan 8.310 nan 0.000 0.476 521 I N 3.071 123.599 120.570 -0.069 0.000 2.533 521 I HA 0.573 4.743 4.170 0.000 0.000 0.290 521 I C 0.787 176.927 176.117 0.038 0.000 1.056 521 I CA -0.187 61.088 61.300 -0.042 0.000 1.057 521 I CB 1.525 39.453 38.000 -0.120 0.000 1.240 521 I HN 1.041 nan 8.210 nan 0.000 0.423 522 G N 4.208 113.063 108.800 0.092 0.000 2.641 522 G HA2 -0.298 3.662 3.960 0.000 0.000 0.254 522 G HA3 -0.298 3.662 3.960 0.000 0.000 0.254 522 G C 0.577 175.499 174.900 0.038 0.000 1.315 522 G CA 0.338 45.479 45.100 0.069 0.000 0.907 522 G HN 0.804 nan 8.290 nan 0.000 0.572 523 T N -2.661 111.907 114.554 0.024 0.000 3.060 523 T HA 0.191 4.541 4.350 0.000 0.000 0.249 523 T C 1.378 176.080 174.700 0.003 0.000 1.079 523 T CA 1.273 63.377 62.100 0.007 0.000 1.013 523 T CB -0.213 68.654 68.868 -0.001 0.000 0.975 523 T HN 1.239 nan 8.240 nan 0.000 0.518 524 N N 0.148 118.855 118.700 0.012 0.000 2.159 524 N HA 0.273 5.013 4.740 0.000 0.000 0.217 524 N C -0.223 175.297 175.510 0.017 0.000 1.223 524 N CA -0.548 52.507 53.050 0.009 0.000 0.896 524 N CB 0.391 38.883 38.487 0.009 0.000 1.064 524 N HN 0.301 nan 8.380 nan 0.000 0.518 525 I N 2.242 122.826 120.570 0.023 0.000 2.359 525 I HA 0.314 4.484 4.170 0.000 0.000 0.284 525 I C -0.579 175.564 176.117 0.043 0.000 1.018 525 I CA -0.793 60.522 61.300 0.025 0.000 1.173 525 I CB 1.421 39.428 38.000 0.012 0.000 1.326 525 I HN 0.031 nan 8.210 nan 0.000 0.462 526 L N 6.815 128.085 121.223 0.078 0.000 2.357 526 L HA 0.589 4.929 4.340 0.000 0.000 0.273 526 L C -0.364 176.563 176.870 0.094 0.000 1.080 526 L CA -0.612 54.327 54.840 0.165 0.000 0.803 526 L CB 1.139 43.351 42.059 0.255 0.000 1.174 526 L HN 0.430 nan 8.230 nan 0.000 0.443 527 L N 1.360 122.613 121.223 0.050 0.000 2.354 527 L HA 0.602 4.942 4.340 0.000 0.000 0.264 527 L C -0.064 176.848 176.870 0.071 0.000 1.008 527 L CA -0.465 54.396 54.840 0.035 0.000 0.819 527 L CB 2.218 44.237 42.059 -0.067 0.000 1.339 527 L HN 0.730 nan 8.230 nan 0.000 0.420 528 S N -0.188 115.573 115.700 0.103 0.000 2.689 528 S HA 0.863 5.333 4.470 0.000 0.000 0.306 528 S C -0.536 174.061 174.600 -0.006 0.000 1.104 528 S CA -0.624 57.605 58.200 0.048 0.000 0.973 528 S CB 2.405 65.608 63.200 0.005 0.000 1.121 528 S HN 0.697 nan 8.310 nan 0.000 0.523 529 T N -0.957 113.542 114.554 -0.092 0.000 2.802 529 T HA 0.392 4.742 4.350 0.000 0.000 0.311 529 T C -1.008 173.599 174.700 -0.155 0.000 1.405 529 T CA -0.524 61.430 62.100 -0.243 0.000 1.016 529 T CB 1.480 70.037 68.868 -0.519 0.000 1.352 529 T HN 0.553 nan 8.240 nan 0.000 0.498 530 D N 0.399 120.714 120.400 -0.142 0.000 2.327 530 D HA 0.194 4.835 4.640 0.000 0.000 0.205 530 D C -0.539 175.568 176.300 -0.322 0.000 0.989 530 D CA 1.102 55.018 54.000 -0.141 0.000 0.873 530 D CB 0.341 41.169 40.800 0.047 0.000 0.955 530 D HN 0.451 nan 8.370 nan 0.000 0.515 531 Y N -0.134 120.091 120.300 -0.125 0.000 2.396 531 Y HA 0.450 5.000 4.550 0.000 0.000 0.332 531 Y C -0.452 175.387 175.900 -0.102 0.000 1.034 531 Y CA -0.774 57.283 58.100 -0.072 0.000 1.057 531 Y CB 2.305 40.720 38.460 -0.076 0.000 1.220 531 Y HN -0.284 nan 8.280 nan 0.000 0.440 532 I N 3.384 124.008 120.570 0.091 0.000 2.934 532 I HA 0.547 4.718 4.170 0.000 0.000 0.306 532 I C -1.509 174.734 176.117 0.211 0.000 1.110 532 I CA -1.231 60.133 61.300 0.107 0.000 1.019 532 I CB 1.956 39.736 38.000 -0.367 0.000 1.227 532 I HN 0.541 nan 8.210 nan 0.000 0.434 533 L N 4.594 125.909 121.223 0.154 0.000 2.292 533 L HA 0.478 4.818 4.340 0.000 0.000 0.284 533 L C -0.718 176.086 176.870 -0.110 0.000 1.065 533 L CA -0.121 54.679 54.840 -0.067 0.000 0.806 533 L CB 1.246 43.038 42.059 -0.444 0.000 1.175 533 L HN 0.503 nan 8.230 nan 0.000 0.431 534 E N 1.510 121.669 120.200 -0.069 0.000 2.340 534 E HA 0.553 4.903 4.350 0.000 0.000 0.273 534 E C -1.559 175.009 176.600 -0.053 0.000 0.891 534 E CA -0.399 55.887 56.400 -0.190 0.000 0.757 534 E CB 2.201 31.537 29.700 -0.608 0.000 1.231 534 E HN 0.450 nan 8.360 nan 0.000 0.439 535 S N 0.955 116.630 115.700 -0.042 0.000 2.568 535 S HA 1.011 5.482 4.470 0.000 0.000 0.302 535 S C -0.441 174.158 174.600 -0.001 0.000 1.082 535 S CA -0.124 58.075 58.200 -0.002 0.000 1.009 535 S CB 1.700 64.903 63.200 0.004 0.000 1.069 535 S HN 0.898 nan 8.310 nan 0.000 0.500 536 G N 0.464 109.271 108.800 0.011 0.000 2.351 536 G HA2 0.121 4.082 3.960 0.000 0.000 0.353 536 G HA3 0.121 4.082 3.960 0.000 0.000 0.353 536 G C 0.317 175.243 174.900 0.044 0.000 1.358 536 G CA -0.075 45.039 45.100 0.024 0.000 0.995 536 G HN 0.790 nan 8.290 nan 0.000 0.611 537 T N -1.500 113.084 114.554 0.049 0.000 3.007 537 T HA 0.025 4.375 4.350 0.000 0.000 0.270 537 T C 2.345 177.097 174.700 0.086 0.000 1.107 537 T CA 2.173 64.312 62.100 0.065 0.000 1.118 537 T CB -0.126 68.777 68.868 0.058 0.000 0.889 537 T HN 0.623 nan 8.240 nan 0.000 0.506 538 S N 1.596 117.345 115.700 0.082 0.000 2.383 538 S HA -0.033 4.437 4.470 0.000 0.000 0.229 538 S C 1.851 176.499 174.600 0.079 0.000 1.030 538 S CA 1.378 59.628 58.200 0.084 0.000 1.002 538 S CB -0.404 62.831 63.200 0.059 0.000 0.829 538 S HN 0.345 nan 8.310 nan 0.000 0.467 539 M N 1.120 120.782 119.600 0.103 0.000 2.254 539 M HA 0.170 4.650 4.480 0.000 0.000 0.265 539 M C 2.176 178.635 176.300 0.266 0.000 1.066 539 M CA 0.931 56.340 55.300 0.182 0.000 1.123 539 M CB -0.835 31.891 32.600 0.209 0.000 1.388 539 M HN 0.323 nan 8.290 nan 0.000 0.425 540 A N -0.321 122.627 122.820 0.213 0.000 1.897 540 A HA 0.157 4.478 4.320 0.000 0.000 0.215 540 A C 2.391 180.102 177.584 0.211 0.000 1.181 540 A CA 1.555 53.729 52.037 0.229 0.000 0.620 540 A CB -1.125 17.952 19.000 0.128 0.000 0.821 540 A HN 0.417 nan 8.150 nan 0.000 0.443 541 A N 0.657 123.568 122.820 0.152 0.000 1.873 541 A HA -0.107 4.213 4.320 0.000 0.000 0.218 541 A C 0.322 177.981 177.584 0.126 0.000 1.193 541 A CA 1.973 54.088 52.037 0.130 0.000 0.629 541 A CB -1.732 17.343 19.000 0.124 0.000 0.826 541 A HN 0.490 nan 8.150 nan 0.000 0.447 542 P HA -0.155 nan 4.420 nan 0.000 0.222 542 P C 0.708 178.016 177.300 0.012 0.000 1.147 542 P CA 1.651 64.781 63.100 0.050 0.000 0.790 542 P CB -0.329 31.377 31.700 0.009 0.000 0.780 543 H N 0.174 119.288 119.070 0.073 0.000 2.357 543 H HA 0.031 4.587 4.556 0.000 0.000 0.301 543 H C 2.219 177.580 175.328 0.055 0.000 1.082 543 H CA 1.856 57.944 56.048 0.066 0.000 1.342 543 H CB -0.472 29.329 29.762 0.066 0.000 1.389 543 H HN 0.085 nan 8.280 nan 0.000 0.511 544 A N 0.673 123.598 122.820 0.175 0.000 1.930 544 A HA -0.053 4.267 4.320 0.000 0.000 0.217 544 A C 2.468 180.109 177.584 0.095 0.000 1.175 544 A CA 1.256 53.358 52.037 0.110 0.000 0.627 544 A CB -0.919 18.133 19.000 0.088 0.000 0.815 544 A HN 0.471 nan 8.150 nan 0.000 0.443 545 A N -0.257 122.617 122.820 0.091 0.000 1.883 545 A HA 0.087 4.408 4.320 0.000 0.000 0.217 545 A C 2.419 180.044 177.584 0.069 0.000 1.186 545 A CA 2.023 54.106 52.037 0.078 0.000 0.624 545 A CB -1.426 17.620 19.000 0.077 0.000 0.822 545 A HN 0.702 nan 8.150 nan 0.000 0.444 546 G N -0.079 108.760 108.800 0.064 0.000 2.421 546 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 546 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 546 G C 1.540 176.487 174.900 0.078 0.000 1.171 546 G CA 1.075 46.209 45.100 0.057 0.000 0.775 546 G HN 0.471 nan 8.290 nan 0.000 0.543 547 I N 1.462 122.092 120.570 0.100 0.000 2.163 547 I HA -0.243 3.927 4.170 0.000 0.000 0.243 547 I C 3.318 179.488 176.117 0.089 0.000 1.085 547 I CA 1.102 62.464 61.300 0.104 0.000 1.347 547 I CB -0.312 37.745 38.000 0.095 0.000 1.044 547 I HN 0.262 nan 8.210 nan 0.000 0.408 548 A N 0.810 123.681 122.820 0.085 0.000 1.902 548 A HA -0.177 4.143 4.320 0.000 0.000 0.217 548 A C 2.571 180.200 177.584 0.075 0.000 1.181 548 A CA 1.897 53.987 52.037 0.088 0.000 0.623 548 A CB -0.820 18.231 19.000 0.085 0.000 0.818 548 A HN 0.450 nan 8.150 nan 0.000 0.443 549 A N -0.524 122.331 122.820 0.060 0.000 1.908 549 A HA -0.167 4.153 4.320 0.000 0.000 0.218 549 A C 2.281 179.879 177.584 0.022 0.000 1.181 549 A CA 1.954 54.015 52.037 0.039 0.000 0.627 549 A CB -0.539 18.477 19.000 0.026 0.000 0.818 549 A HN 0.556 nan 8.150 nan 0.000 0.445 550 M N -0.792 118.826 119.600 0.029 0.000 2.099 550 M HA -0.041 4.440 4.480 0.000 0.000 0.262 550 M C 2.113 178.404 176.300 -0.015 0.000 1.067 550 M CA 1.219 56.526 55.300 0.012 0.000 1.124 550 M CB -0.511 32.123 32.600 0.057 0.000 1.353 550 M HN 0.348 nan 8.290 nan 0.000 0.410 551 L N 0.040 121.275 121.223 0.019 0.000 2.129 551 L HA -0.252 4.089 4.340 0.000 0.000 0.212 551 L C 2.679 179.523 176.870 -0.044 0.000 1.087 551 L CA 1.073 55.916 54.840 0.005 0.000 0.757 551 L CB -0.767 41.357 42.059 0.108 0.000 0.896 551 L HN 0.284 nan 8.230 nan 0.000 0.434 552 K N 0.323 120.727 120.400 0.006 0.000 2.217 552 K HA -0.060 4.260 4.320 0.000 0.000 0.202 552 K C 2.016 178.584 176.600 -0.053 0.000 1.051 552 K CA 1.212 57.506 56.287 0.013 0.000 0.952 552 K CB 0.062 32.594 32.500 0.053 0.000 0.736 552 K HN 0.276 nan 8.250 nan 0.000 0.453 553 A N 0.699 123.474 122.820 -0.076 0.000 1.929 553 A HA 0.007 4.327 4.320 0.000 0.000 0.216 553 A C 2.264 179.739 177.584 -0.182 0.000 1.176 553 A CA 1.632 53.611 52.037 -0.097 0.000 0.628 553 A CB -0.420 18.535 19.000 -0.076 0.000 0.816 553 A HN 0.314 nan 8.150 nan 0.000 0.444 554 A N -1.101 121.542 122.820 -0.295 0.000 2.014 554 A HA 0.051 4.371 4.320 0.000 0.000 0.218 554 A C 0.697 177.788 177.584 -0.822 0.000 1.163 554 A CA 1.003 52.717 52.037 -0.537 0.000 0.652 554 A CB -0.389 18.221 19.000 -0.649 0.000 0.808 554 A HN 0.652 nan 8.150 nan 0.000 0.449 555 H N -1.571 117.247 119.070 -0.420 0.000 2.569 555 H HA 0.306 4.862 4.556 0.000 0.000 0.247 555 H C -2.340 172.827 175.328 -0.267 0.000 1.346 555 H CA -1.639 54.065 56.048 -0.575 0.000 1.502 555 H CB 1.015 29.803 29.762 -1.624 0.000 1.512 555 H HN 0.150 nan 8.280 nan 0.000 0.502 556 P HA -0.123 nan 4.420 nan 0.000 0.234 556 P C 0.894 178.251 177.300 0.095 0.000 1.167 556 P CA 0.948 64.062 63.100 0.024 0.000 0.763 556 P CB 0.538 32.244 31.700 0.010 0.000 0.835 557 E N -2.643 117.654 120.200 0.162 0.000 2.489 557 E HA 0.034 4.384 4.350 0.000 0.000 0.204 557 E C 0.065 176.865 176.600 0.334 0.000 1.006 557 E CA -0.003 56.526 56.400 0.215 0.000 0.936 557 E CB -0.149 29.671 29.700 0.199 0.000 1.002 557 E HN 0.254 nan 8.360 nan 0.000 0.488 558 W N 3.035 124.366 121.300 0.051 0.000 2.181 558 W HA 0.098 4.758 4.660 0.000 0.000 0.335 558 W C 1.216 177.749 176.519 0.024 0.000 1.310 558 W CA -0.861 56.498 57.345 0.023 0.000 1.226 558 W CB 0.287 29.763 29.460 0.027 0.000 1.155 558 W HN -0.219 nan 8.180 nan 0.000 0.565 559 S N 3.085 118.880 115.700 0.159 0.000 2.652 559 S HA 0.362 4.832 4.470 0.000 0.000 0.270 559 S C -1.741 172.920 174.600 0.101 0.000 1.243 559 S CA -1.153 57.106 58.200 0.098 0.000 0.999 559 S CB 1.639 64.865 63.200 0.044 0.000 0.973 559 S HN 0.210 nan 8.310 nan 0.000 0.544 560 P HA -0.091 nan 4.420 nan 0.000 0.216 560 P C 1.482 178.820 177.300 0.063 0.000 1.153 560 P CA 1.493 64.632 63.100 0.066 0.000 0.858 560 P CB -0.166 31.548 31.700 0.023 0.000 0.789 561 S N -0.590 115.153 115.700 0.071 0.000 2.368 561 S HA -0.137 4.333 4.470 0.000 0.000 0.225 561 S C 2.060 176.644 174.600 -0.027 0.000 1.030 561 S CA 1.386 59.623 58.200 0.061 0.000 0.999 561 S CB -1.093 62.186 63.200 0.132 0.000 0.844 561 S HN 0.159 nan 8.310 nan 0.000 0.459 562 A N 1.668 124.452 122.820 -0.059 0.000 1.877 562 A HA -0.032 4.288 4.320 0.000 0.000 0.216 562 A C 2.077 179.609 177.584 -0.087 0.000 1.186 562 A CA 1.197 53.118 52.037 -0.193 0.000 0.620 562 A CB -0.785 17.986 19.000 -0.382 0.000 0.822 562 A HN 0.463 nan 8.150 nan 0.000 0.443 563 I N -0.832 119.803 120.570 0.107 0.000 2.208 563 I HA -0.300 3.871 4.170 0.000 0.000 0.245 563 I C 2.745 178.935 176.117 0.122 0.000 1.097 563 I CA 1.915 63.358 61.300 0.238 0.000 1.363 563 I CB -0.333 37.810 38.000 0.238 0.000 1.051 563 I HN 0.416 nan 8.210 nan 0.000 0.413 564 R N 0.434 120.963 120.500 0.048 0.000 2.096 564 R HA -0.179 4.161 4.340 0.000 0.000 0.235 564 R C 2.474 178.746 176.300 -0.045 0.000 1.127 564 R CA 1.731 57.831 56.100 -0.001 0.000 0.968 564 R CB -0.200 30.079 30.300 -0.035 0.000 0.861 564 R HN 0.207 nan 8.270 nan 0.000 0.440 565 S N -0.029 115.628 115.700 -0.071 0.000 2.353 565 S HA -0.174 4.296 4.470 0.000 0.000 0.222 565 S C 2.009 176.602 174.600 -0.011 0.000 1.035 565 S CA 1.423 59.583 58.200 -0.067 0.000 1.025 565 S CB -0.360 62.795 63.200 -0.075 0.000 0.902 565 S HN 0.554 nan 8.310 nan 0.000 0.440 566 A N 1.547 124.372 122.820 0.009 0.000 1.892 566 A HA -0.134 4.186 4.320 0.000 0.000 0.218 566 A C 2.292 179.933 177.584 0.095 0.000 1.188 566 A CA 2.032 54.124 52.037 0.092 0.000 0.631 566 A CB -0.791 18.381 19.000 0.285 0.000 0.822 566 A HN 0.665 nan 8.150 nan 0.000 0.447 567 M N -1.568 118.083 119.600 0.085 0.000 2.279 567 M HA -0.106 4.375 4.480 0.000 0.000 0.264 567 M C 2.234 178.554 176.300 0.034 0.000 1.062 567 M CA 1.434 56.771 55.300 0.061 0.000 1.099 567 M CB -0.336 32.297 32.600 0.055 0.000 1.394 567 M HN 0.464 nan 8.290 nan 0.000 0.426 568 M N -0.945 118.665 119.600 0.017 0.000 2.398 568 M HA -0.041 4.440 4.480 0.000 0.000 0.261 568 M C 2.283 178.601 176.300 0.030 0.000 1.125 568 M CA 1.592 56.894 55.300 0.004 0.000 1.183 568 M CB -0.511 32.058 32.600 -0.051 0.000 1.322 568 M HN 0.304 nan 8.290 nan 0.000 0.467 569 T N -3.049 111.534 114.554 0.048 0.000 3.077 569 T HA -0.093 4.257 4.350 0.000 0.000 0.269 569 T C 1.465 176.221 174.700 0.092 0.000 1.146 569 T CA 1.594 63.750 62.100 0.093 0.000 1.091 569 T CB -0.532 68.418 68.868 0.138 0.000 0.892 569 T HN 0.292 nan 8.240 nan 0.000 0.533 570 T N 0.340 114.940 114.554 0.077 0.000 3.044 570 T HA 0.633 4.983 4.350 0.000 0.000 0.260 570 T C 0.729 175.466 174.700 0.062 0.000 1.019 570 T CA 0.049 62.198 62.100 0.081 0.000 0.921 570 T CB -0.458 68.465 68.868 0.092 0.000 1.053 570 T HN 0.617 nan 8.240 nan 0.000 0.533 571 A N 1.308 124.159 122.820 0.053 0.000 2.425 571 A HA 0.447 4.767 4.320 0.000 0.000 0.242 571 A C 0.013 177.630 177.584 0.056 0.000 1.077 571 A CA -0.345 51.719 52.037 0.045 0.000 0.781 571 A CB 0.170 19.192 19.000 0.038 0.000 1.020 571 A HN 0.408 nan 8.150 nan 0.000 0.494 572 D N 1.229 121.668 120.400 0.065 0.000 2.329 572 D HA 0.425 5.066 4.640 0.000 0.000 0.232 572 D C -2.015 174.327 176.300 0.069 0.000 1.088 572 D CA -1.941 52.095 54.000 0.060 0.000 0.835 572 D CB 1.497 42.326 40.800 0.048 0.000 1.078 572 D HN 0.115 nan 8.370 nan 0.000 0.495 573 P HA 0.133 nan 4.420 nan 0.000 0.245 573 P C 0.045 177.365 177.300 0.033 0.000 1.206 573 P CA 0.313 63.441 63.100 0.047 0.000 0.781 573 P CB 0.371 32.095 31.700 0.039 0.000 0.994 574 L N 0.202 121.438 121.223 0.023 0.000 2.334 574 L HA 0.418 4.758 4.340 0.000 0.000 0.270 574 L C 0.536 177.402 176.870 -0.007 0.000 1.018 574 L CA -1.109 53.735 54.840 0.007 0.000 0.811 574 L CB 0.932 42.993 42.059 0.003 0.000 1.271 574 L HN -0.116 nan 8.230 nan 0.000 0.443 579 K N 1.129 121.523 120.400 -0.010 0.000 2.340 579 K HA 0.528 4.849 4.320 0.000 0.000 0.244 579 K C -2.561 174.036 176.600 -0.005 0.000 0.973 579 K CA -2.093 54.189 56.287 -0.009 0.000 0.828 579 K CB 2.187 34.679 32.500 -0.013 0.000 1.226 579 K HN -0.192 nan 8.250 nan 0.000 0.437 580 P HA -0.015 nan 4.420 nan 0.000 0.262 580 P C -0.149 177.153 177.300 0.003 0.000 1.182 580 P CA 0.371 63.473 63.100 0.004 0.000 0.761 580 P CB 0.114 31.817 31.700 0.005 0.000 0.795 581 I N 3.155 123.732 120.570 0.012 0.000 2.845 581 I HA -0.072 4.098 4.170 0.000 0.000 0.296 581 I C 1.445 177.569 176.117 0.012 0.000 1.216 581 I CA 0.681 61.990 61.300 0.014 0.000 1.438 581 I CB -0.090 37.931 38.000 0.035 0.000 1.342 581 I HN 0.142 nan 8.210 nan 0.000 0.577 582 K N 4.267 124.668 120.400 0.001 0.000 2.095 582 K HA 0.246 4.566 4.320 0.000 0.000 0.252 582 K C -0.613 175.990 176.600 0.006 0.000 0.977 582 K CA -0.707 55.577 56.287 -0.006 0.000 0.900 582 K CB 1.024 33.506 32.500 -0.029 0.000 1.060 582 K HN 0.447 nan 8.250 nan 0.000 0.449 583 D N 0.515 120.918 120.400 0.005 0.000 2.313 583 D HA 0.024 4.664 4.640 0.000 0.000 0.239 583 D C 0.916 177.217 176.300 0.001 0.000 1.142 583 D CA 0.174 54.184 54.000 0.016 0.000 0.847 583 D CB 1.165 41.976 40.800 0.018 0.000 1.082 583 D HN 0.390 nan 8.370 nan 0.000 0.480 584 S N 3.130 118.836 115.700 0.010 0.000 2.440 584 S HA -0.235 4.235 4.470 0.000 0.000 0.238 584 S C 1.381 175.977 174.600 -0.007 0.000 1.010 584 S CA 1.623 59.810 58.200 -0.021 0.000 0.972 584 S CB -0.069 63.141 63.200 0.016 0.000 0.774 584 S HN 0.610 nan 8.310 nan 0.000 0.501 585 D N 1.054 121.464 120.400 0.016 0.000 2.234 585 D HA -0.018 4.622 4.640 0.000 0.000 0.205 585 D C 1.520 177.826 176.300 0.009 0.000 0.962 585 D CA 1.393 55.405 54.000 0.019 0.000 0.855 585 D CB -0.189 40.629 40.800 0.029 0.000 0.951 585 D HN 0.847 nan 8.370 nan 0.000 0.500 586 N N -2.232 116.469 118.700 0.002 0.000 2.129 586 N HA 0.072 4.813 4.740 0.000 0.000 0.222 586 N C -0.110 175.394 175.510 -0.011 0.000 1.303 586 N CA -0.057 52.992 53.050 -0.001 0.000 0.897 586 N CB 0.073 38.563 38.487 0.005 0.000 1.093 586 N HN -0.082 nan 8.380 nan 0.000 0.501 587 N N -0.165 118.523 118.700 -0.019 0.000 2.878 587 N HA -0.156 4.584 4.740 0.000 0.000 0.247 587 N C -1.100 174.397 175.510 -0.021 0.000 1.021 587 N CA 0.869 53.901 53.050 -0.030 0.000 0.873 587 N CB -0.692 37.772 38.487 -0.037 0.000 1.128 587 N HN 0.411 nan 8.380 nan 0.000 0.571 588 K N 0.449 120.842 120.400 -0.011 0.000 2.240 588 K HA 0.726 5.046 4.320 0.000 0.000 0.237 588 K C 0.248 176.846 176.600 -0.003 0.000 1.027 588 K CA -0.299 55.984 56.287 -0.007 0.000 0.937 588 K CB 0.658 33.157 32.500 -0.002 0.000 1.171 588 K HN 0.130 nan 8.250 nan 0.000 0.479 589 A N 0.846 123.666 122.820 -0.000 0.000 2.546 589 A HA 0.309 4.629 4.320 0.000 0.000 0.243 589 A C -0.016 177.574 177.584 0.011 0.000 1.063 589 A CA 0.013 52.053 52.037 0.004 0.000 0.757 589 A CB -0.236 18.767 19.000 0.005 0.000 0.991 589 A HN 0.672 nan 8.150 nan 0.000 0.503 590 A N 3.289 126.119 122.820 0.016 0.000 2.425 590 A HA 0.549 4.869 4.320 0.000 0.000 0.249 590 A C 0.824 178.422 177.584 0.023 0.000 1.084 590 A CA 0.124 52.175 52.037 0.023 0.000 0.781 590 A CB -0.088 18.932 19.000 0.033 0.000 1.019 590 A HN 0.877 nan 8.150 nan 0.000 0.490 591 T N 3.143 117.710 114.554 0.022 0.000 2.881 591 T HA 0.402 4.753 4.350 0.000 0.000 0.278 591 T C -1.746 172.967 174.700 0.021 0.000 0.982 591 T CA -0.896 61.215 62.100 0.019 0.000 0.989 591 T CB 1.010 69.886 68.868 0.014 0.000 1.058 591 T HN 0.440 nan 8.240 nan 0.000 0.529 592 P HA 0.078 nan 4.420 nan 0.000 0.222 592 P C 1.116 178.422 177.300 0.010 0.000 1.147 592 P CA 0.793 63.903 63.100 0.017 0.000 0.790 592 P CB 0.003 31.710 31.700 0.012 0.000 0.780 593 L N -1.225 119.999 121.223 0.002 0.000 2.552 593 L HA -0.014 4.327 4.340 0.000 0.000 0.227 593 L C 1.308 178.182 176.870 0.007 0.000 1.146 593 L CA 0.879 55.715 54.840 -0.006 0.000 0.858 593 L CB -0.475 41.574 42.059 -0.017 0.000 0.969 593 L HN -0.030 nan 8.230 nan 0.000 0.451 594 D N 0.056 120.467 120.400 0.018 0.000 2.431 594 D HA 0.035 4.675 4.640 0.000 0.000 0.235 594 D C 1.751 178.075 176.300 0.040 0.000 0.980 594 D CA 0.961 54.978 54.000 0.029 0.000 0.912 594 D CB 0.398 41.217 40.800 0.031 0.000 1.056 594 D HN 0.379 nan 8.370 nan 0.000 0.494 595 M N -2.098 117.527 119.600 0.042 0.000 2.414 595 M HA 0.458 4.938 4.480 0.000 0.000 0.393 595 M C 0.922 177.252 176.300 0.049 0.000 1.055 595 M CA -0.050 55.284 55.300 0.056 0.000 0.937 595 M CB 1.835 34.477 32.600 0.070 0.000 1.631 595 M HN -0.042 nan 8.290 nan 0.000 0.567 596 G N 2.248 111.071 108.800 0.038 0.000 2.611 596 G HA2 -0.407 3.553 3.960 0.000 0.000 0.301 596 G HA3 -0.407 3.553 3.960 0.000 0.000 0.301 596 G C 0.809 175.730 174.900 0.036 0.000 1.233 596 G CA 1.223 46.344 45.100 0.035 0.000 0.993 596 G HN 0.913 nan 8.290 nan 0.000 0.553 597 A N -0.361 122.479 122.820 0.034 0.000 2.015 597 A HA 0.524 4.844 4.320 0.000 0.000 0.219 597 A C 2.254 179.866 177.584 0.047 0.000 1.163 597 A CA 2.579 54.637 52.037 0.035 0.000 0.646 597 A CB -0.672 18.342 19.000 0.024 0.000 0.806 597 A HN 2.895 nan 8.150 nan 0.000 0.448 598 G N -2.383 106.450 108.800 0.054 0.000 2.270 598 G HA2 0.160 4.120 3.960 0.000 0.000 0.268 598 G HA3 0.160 4.120 3.960 0.000 0.000 0.268 598 G C -0.734 174.227 174.900 0.100 0.000 1.312 598 G CA -0.195 44.953 45.100 0.081 0.000 1.050 598 G HN 0.676 nan 8.290 nan 0.000 0.474 599 H N -0.013 119.070 119.070 0.022 0.000 2.646 599 H HA 0.536 5.092 4.556 0.000 0.000 0.325 599 H C 0.978 176.305 175.328 -0.002 0.000 1.075 599 H CA 0.279 56.336 56.048 0.014 0.000 1.421 599 H CB 0.965 30.728 29.762 0.002 0.000 1.461 599 H HN 0.477 nan 8.280 nan 0.000 0.525 600 V N 4.891 124.571 119.914 -0.389 0.000 2.720 600 V HA -0.059 4.061 4.120 0.000 0.000 0.307 600 V C 0.621 176.619 176.094 -0.159 0.000 1.071 600 V CA 0.670 62.833 62.300 -0.228 0.000 1.199 600 V CB 0.451 32.141 31.823 -0.221 0.000 0.900 600 V HN 0.837 nan 8.190 nan 0.000 0.494 601 D N 6.249 126.617 120.400 -0.053 0.000 2.400 601 D HA 0.294 4.934 4.640 0.000 0.000 0.272 601 D C -1.456 174.839 176.300 -0.008 0.000 1.220 601 D CA -1.810 52.174 54.000 -0.028 0.000 0.897 601 D CB 1.820 42.621 40.800 0.002 0.000 1.134 601 D HN 0.233 nan 8.370 nan 0.000 0.507 602 P HA -0.199 nan 4.420 nan 0.000 0.214 602 P C 1.225 178.540 177.300 0.026 0.000 1.169 602 P CA 1.046 64.155 63.100 0.015 0.000 0.908 602 P CB 0.494 32.197 31.700 0.004 0.000 0.791 603 N N -0.276 118.422 118.700 -0.004 0.000 2.061 603 N HA -0.167 4.573 4.740 0.000 0.000 0.193 603 N C 1.969 177.503 175.510 0.040 0.000 1.030 603 N CA 1.220 54.274 53.050 0.006 0.000 0.856 603 N CB -0.635 37.836 38.487 -0.026 0.000 1.023 603 N HN 0.256 nan 8.380 nan 0.000 0.424 604 R N 0.664 121.190 120.500 0.042 0.000 2.075 604 R HA 0.049 4.389 4.340 0.000 0.000 0.232 604 R C 2.200 178.568 176.300 0.113 0.000 1.126 604 R CA 1.072 57.217 56.100 0.075 0.000 0.963 604 R CB -0.402 29.937 30.300 0.065 0.000 0.858 604 R HN 0.192 nan 8.270 nan 0.000 0.435 605 A N 1.376 124.257 122.820 0.102 0.000 2.042 605 A HA -0.202 4.118 4.320 0.000 0.000 0.222 605 A C 2.051 179.749 177.584 0.189 0.000 1.167 605 A CA 1.234 53.354 52.037 0.138 0.000 0.649 605 A CB -0.482 18.588 19.000 0.115 0.000 0.809 605 A HN 0.268 nan 8.150 nan 0.000 0.457 606 L N -0.797 120.517 121.223 0.153 0.000 2.191 606 L HA -0.019 4.321 4.340 0.000 0.000 0.212 606 L C 0.282 177.301 176.870 0.249 0.000 1.103 606 L CA 1.897 56.839 54.840 0.170 0.000 0.769 606 L CB 0.024 42.138 42.059 0.092 0.000 0.908 606 L HN 0.362 nan 8.230 nan 0.000 0.438 607 D N -1.138 119.401 120.400 0.233 0.000 2.405 607 D HA 0.225 4.865 4.640 0.000 0.000 0.264 607 D C -2.074 174.399 176.300 0.287 0.000 1.240 607 D CA -1.227 52.942 54.000 0.282 0.000 0.893 607 D CB 1.243 42.219 40.800 0.294 0.000 1.198 607 D HN 0.122 nan 8.370 nan 0.000 0.514 608 P HA 0.153 nan 4.420 nan 0.000 0.239 608 P C 1.108 178.308 177.300 -0.166 0.000 1.188 608 P CA 0.964 64.109 63.100 0.075 0.000 0.794 608 P CB 0.953 32.678 31.700 0.042 0.000 0.937 609 G N 0.417 108.956 108.800 -0.436 0.000 2.990 609 G HA2 -0.256 3.704 3.960 0.000 0.000 0.225 609 G HA3 -0.256 3.704 3.960 0.000 0.000 0.225 609 G C -0.082 174.519 174.900 -0.498 0.000 1.304 609 G CA 0.330 44.980 45.100 -0.750 0.000 0.816 609 G HN 0.352 nan 8.290 nan 0.000 0.528 610 L N 0.714 121.646 121.223 -0.486 0.000 2.401 610 L HA 0.757 5.097 4.340 0.000 0.000 0.266 610 L C -0.012 176.559 176.870 -0.499 0.000 0.991 610 L CA -1.246 53.241 54.840 -0.589 0.000 0.818 610 L CB 2.471 44.052 42.059 -0.797 0.000 1.321 610 L HN 0.606 nan 8.230 nan 0.000 0.413 611 V N -1.084 118.500 119.914 -0.549 0.000 2.735 611 V HA 0.489 4.609 4.120 0.000 0.000 0.310 611 V C -1.204 174.603 176.094 -0.479 0.000 1.061 611 V CA -0.737 61.277 62.300 -0.478 0.000 0.913 611 V CB 1.648 33.113 31.823 -0.597 0.000 1.005 611 V HN 0.532 nan 8.190 nan 0.000 0.428 612 Y N 2.543 122.688 120.300 -0.257 0.000 2.627 612 Y HA 0.447 4.997 4.550 0.000 0.000 0.347 612 Y C 0.703 176.472 175.900 -0.218 0.000 1.099 612 Y CA 0.091 58.061 58.100 -0.216 0.000 1.408 612 Y CB 0.118 38.456 38.460 -0.205 0.000 1.247 612 Y HN 0.789 nan 8.280 nan 0.000 0.506 613 D N 1.820 122.147 120.400 -0.122 0.000 2.411 613 D HA 0.740 5.380 4.640 0.000 0.000 0.251 613 D C -0.625 175.638 176.300 -0.062 0.000 1.201 613 D CA -0.092 53.836 54.000 -0.120 0.000 0.996 613 D CB 1.370 42.069 40.800 -0.169 0.000 1.101 613 D HN 0.532 nan 8.370 nan 0.000 0.504 614 A N -0.232 122.568 122.820 -0.033 0.000 2.597 614 A HA 0.583 4.904 4.320 0.000 0.000 0.292 614 A C -0.554 177.055 177.584 0.042 0.000 1.057 614 A CA -0.514 51.507 52.037 -0.026 0.000 0.674 614 A CB 1.006 19.960 19.000 -0.076 0.000 1.278 614 A HN 0.524 nan 8.150 nan 0.000 0.416 615 T N -1.292 113.279 114.554 0.028 0.000 2.950 615 T HA 0.714 5.064 4.350 0.000 0.000 0.288 615 T C -2.294 172.499 174.700 0.156 0.000 1.035 615 T CA -1.878 60.266 62.100 0.072 0.000 1.028 615 T CB 1.576 70.461 68.868 0.028 0.000 1.109 615 T HN 0.176 nan 8.240 nan 0.000 0.514 616 P HA -0.127 nan 4.420 nan 0.000 0.217 616 P C 1.595 178.952 177.300 0.094 0.000 1.148 616 P CA 1.002 64.150 63.100 0.080 0.000 0.828 616 P CB 0.108 31.804 31.700 -0.007 0.000 0.783 617 Q N 0.069 119.912 119.800 0.071 0.000 2.167 617 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 617 Q C 1.633 177.671 176.000 0.064 0.000 0.970 617 Q CA 1.679 57.523 55.803 0.068 0.000 0.855 617 Q CB -1.095 27.669 28.738 0.044 0.000 0.911 617 Q HN 0.151 nan 8.270 nan 0.000 0.438 618 D N -0.922 119.486 120.400 0.015 0.000 2.123 618 D HA -0.177 4.463 4.640 0.000 0.000 0.196 618 D C 1.543 177.787 176.300 -0.093 0.000 0.992 618 D CA 1.287 55.236 54.000 -0.084 0.000 0.833 618 D CB -0.260 40.409 40.800 -0.219 0.000 0.954 618 D HN 0.415 nan 8.370 nan 0.000 0.455 619 Y N 0.613 120.938 120.300 0.042 0.000 2.263 619 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 619 Y C 2.576 178.589 175.900 0.188 0.000 1.130 619 Y CA 0.284 58.434 58.100 0.082 0.000 1.179 619 Y CB -0.508 37.878 38.460 -0.122 0.000 0.998 619 Y HN -0.188 nan 8.280 nan 0.000 0.532 620 V N 0.629 120.734 119.914 0.317 0.000 2.287 620 V HA -0.351 3.769 4.120 0.000 0.000 0.248 620 V C 1.922 178.188 176.094 0.286 0.000 1.053 620 V CA 2.133 64.646 62.300 0.355 0.000 1.027 620 V CB -0.676 31.316 31.823 0.282 0.000 0.646 620 V HN 0.463 nan 8.190 nan 0.000 0.447 621 N N 0.032 118.844 118.700 0.186 0.000 2.094 621 N HA -0.173 4.567 4.740 0.000 0.000 0.191 621 N C 1.757 177.356 175.510 0.149 0.000 1.023 621 N CA 1.472 54.604 53.050 0.135 0.000 0.857 621 N CB -0.512 38.018 38.487 0.072 0.000 1.013 621 N HN 0.463 nan 8.380 nan 0.000 0.426 622 L N 0.144 121.464 121.223 0.160 0.000 2.005 622 L HA -0.104 4.236 4.340 0.000 0.000 0.207 622 L C 2.116 179.115 176.870 0.214 0.000 1.072 622 L CA 0.999 55.939 54.840 0.166 0.000 0.744 622 L CB -0.333 41.827 42.059 0.168 0.000 0.895 622 L HN 0.099 nan 8.230 nan 0.000 0.433 623 L N -0.111 121.282 121.223 0.284 0.000 2.081 623 L HA -0.302 4.038 4.340 0.000 0.000 0.212 623 L C 2.603 179.662 176.870 0.315 0.000 1.080 623 L CA 1.878 56.865 54.840 0.245 0.000 0.754 623 L CB -0.903 41.162 42.059 0.010 0.000 0.893 623 L HN 0.411 nan 8.230 nan 0.000 0.433 624 c N -0.721 118.097 118.600 0.363 0.000 2.425 624 c HA -0.125 4.445 4.570 0.000 0.000 0.277 624 c C 3.157 177.340 174.090 0.156 0.000 1.280 624 c CA 1.201 57.726 56.329 0.326 0.000 1.744 624 c CB -1.128 41.504 42.510 0.202 0.000 1.989 624 c HN 0.832 nan 8.230 nan 0.000 0.491 625 S N -0.031 115.739 115.700 0.117 0.000 2.489 625 S HA -0.020 4.450 4.470 0.000 0.000 0.228 625 S C 1.407 176.012 174.600 0.009 0.000 0.995 625 S CA 0.757 58.995 58.200 0.063 0.000 0.934 625 S CB -0.456 62.793 63.200 0.082 0.000 0.771 625 S HN 0.424 nan 8.310 nan 0.000 0.522 626 L N 1.732 122.921 121.223 -0.056 0.000 2.362 626 L HA 0.137 4.477 4.340 0.000 0.000 0.219 626 L C 0.356 176.975 176.870 -0.419 0.000 1.134 626 L CA 0.578 55.236 54.840 -0.303 0.000 0.807 626 L CB -1.533 40.130 42.059 -0.661 0.000 0.927 626 L HN 0.268 nan 8.230 nan 0.000 0.447 627 N N -1.144 117.432 118.700 -0.208 0.000 2.756 627 N HA -0.228 4.512 4.740 0.000 0.000 0.248 627 N C -0.245 175.233 175.510 -0.053 0.000 1.062 627 N CA 0.610 53.612 53.050 -0.079 0.000 0.696 627 N CB -1.857 36.606 38.487 -0.040 0.000 0.946 627 N HN 0.229 nan 8.380 nan 0.000 0.548 628 F N 0.157 120.201 119.950 0.156 0.000 2.403 628 F HA 0.210 4.738 4.527 0.000 0.000 0.320 628 F C 1.969 177.770 175.800 0.002 0.000 1.176 628 F CA -0.499 57.545 58.000 0.073 0.000 1.206 628 F CB 0.431 39.478 39.000 0.079 0.000 1.235 628 F HN 0.027 nan 8.300 nan 0.000 0.565 629 T N -1.707 112.923 114.554 0.127 0.000 2.903 629 T HA 0.019 4.369 4.350 0.000 0.000 0.314 629 T C 0.936 175.580 174.700 -0.094 0.000 1.078 629 T CA -0.498 61.597 62.100 -0.009 0.000 1.114 629 T CB 0.790 69.615 68.868 -0.071 0.000 0.987 629 T HN 0.778 nan 8.240 nan 0.000 0.548 630 E N 0.917 120.974 120.200 -0.238 0.000 2.331 630 E HA -0.239 4.111 4.350 0.000 0.000 0.199 630 E C 1.694 178.147 176.600 -0.245 0.000 1.008 630 E CA 1.308 57.370 56.400 -0.563 0.000 0.843 630 E CB -0.126 29.272 29.700 -0.503 0.000 0.761 630 E HN 0.925 nan 8.360 nan 0.000 0.507 631 E N 1.312 121.423 120.200 -0.147 0.000 2.076 631 E HA -0.159 4.191 4.350 0.000 0.000 0.190 631 E C 2.149 178.673 176.600 -0.127 0.000 0.979 631 E CA 0.637 56.971 56.400 -0.110 0.000 0.807 631 E CB 0.120 29.759 29.700 -0.102 0.000 0.761 631 E HN 0.313 nan 8.360 nan 0.000 0.454 632 Q N -0.271 119.409 119.800 -0.200 0.000 2.124 632 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 632 Q C 1.960 177.860 176.000 -0.167 0.000 0.977 632 Q CA 1.528 57.129 55.803 -0.337 0.000 0.850 632 Q CB -0.230 28.069 28.738 -0.732 0.000 0.901 632 Q HN 0.323 nan 8.270 nan 0.000 0.429 633 F N 1.728 121.574 119.950 -0.173 0.000 2.102 633 F HA -0.222 4.305 4.527 0.000 0.000 0.298 633 F C 1.956 177.665 175.800 -0.150 0.000 1.105 633 F CA 1.268 59.211 58.000 -0.096 0.000 1.239 633 F CB 0.154 39.066 39.000 -0.148 0.000 0.991 633 F HN -0.161 nan 8.300 nan 0.000 0.474 634 K N 0.030 120.494 120.400 0.107 0.000 2.147 634 K HA -0.108 4.212 4.320 0.000 0.000 0.205 634 K C 1.994 178.528 176.600 -0.111 0.000 1.049 634 K CA 1.667 57.970 56.287 0.026 0.000 0.936 634 K CB -1.102 31.421 32.500 0.038 0.000 0.722 634 K HN 0.301 nan 8.250 nan 0.000 0.446 635 T N 1.731 116.209 114.554 -0.127 0.000 2.803 635 T HA -0.071 4.279 4.350 0.000 0.000 0.269 635 T C 1.993 176.577 174.700 -0.193 0.000 1.052 635 T CA 1.091 63.113 62.100 -0.130 0.000 1.136 635 T CB -0.050 68.759 68.868 -0.098 0.000 0.864 635 T HN 0.158 nan 8.240 nan 0.000 0.467 636 I N 0.594 120.976 120.570 -0.314 0.000 2.429 636 I HA 0.056 4.226 4.170 0.000 0.000 0.247 636 I C 2.803 178.544 176.117 -0.627 0.000 1.099 636 I CA 0.480 61.500 61.300 -0.468 0.000 1.422 636 I CB -0.695 36.947 38.000 -0.597 0.000 1.112 636 I HN 0.143 nan 8.210 nan 0.000 0.430 637 A N 2.676 125.077 122.820 -0.700 0.000 1.997 637 A HA -0.321 3.999 4.320 0.000 0.000 0.237 637 A C 2.243 179.700 177.584 -0.210 0.000 1.807 637 A CA 3.260 54.982 52.037 -0.525 0.000 0.863 637 A CB -0.783 18.075 19.000 -0.237 0.000 0.821 637 A HN 0.524 nan 8.150 nan 0.000 0.500 638 R N -1.422 119.010 120.500 -0.114 0.000 2.316 638 R HA 0.140 4.480 4.340 0.000 0.000 0.201 638 R C 1.218 177.504 176.300 -0.023 0.000 0.888 638 R CA 1.351 57.389 56.100 -0.105 0.000 1.041 638 R CB -0.407 29.834 30.300 -0.098 0.000 1.115 638 R HN 0.789 nan 8.270 nan 0.000 0.559 639 S N 0.040 115.737 115.700 -0.005 0.000 2.846 639 S HA 0.099 4.569 4.470 0.000 0.000 0.249 639 S C 0.860 175.479 174.600 0.032 0.000 1.028 639 S CA -0.110 58.101 58.200 0.017 0.000 1.043 639 S CB 0.445 63.646 63.200 0.003 0.000 0.990 639 S HN 0.250 nan 8.310 nan 0.000 0.564 640 S N 0.473 116.202 115.700 0.049 0.000 2.540 640 S HA 0.754 5.224 4.470 0.000 0.000 0.218 640 S C 0.435 175.094 174.600 0.098 0.000 0.977 640 S CA 0.082 58.318 58.200 0.059 0.000 0.918 640 S CB 0.391 63.623 63.200 0.053 0.000 0.806 640 S HN 1.111 nan 8.310 nan 0.000 0.496 641 A N 1.256 124.152 122.820 0.127 0.000 2.594 641 A HA 0.694 5.014 4.320 0.000 0.000 0.296 641 A C -0.440 177.285 177.584 0.234 0.000 1.056 641 A CA -0.485 51.662 52.037 0.183 0.000 0.693 641 A CB 0.801 19.953 19.000 0.252 0.000 1.278 641 A HN 0.620 nan 8.150 nan 0.000 0.408 642 S N 0.564 116.389 115.700 0.208 0.000 2.651 642 S HA 0.737 5.207 4.470 0.000 0.000 0.291 642 S C -0.057 174.641 174.600 0.164 0.000 1.141 642 S CA -0.383 57.928 58.200 0.186 0.000 1.027 642 S CB 1.089 64.343 63.200 0.091 0.000 1.043 642 S HN 1.101 nan 8.310 nan 0.000 0.530 646 S N -0.956 114.696 115.700 -0.080 0.000 2.578 646 S HA 0.253 4.723 4.470 0.000 0.000 0.231 646 S C 0.189 174.765 174.600 -0.040 0.000 0.994 646 S CA -0.107 58.047 58.200 -0.076 0.000 0.956 646 S CB -0.283 62.878 63.200 -0.066 0.000 0.870 646 S HN 0.703 nan 8.310 nan 0.000 0.494 647 N N 3.425 122.114 118.700 -0.019 0.000 2.757 647 N HA 0.247 4.987 4.740 0.000 0.000 0.296 647 N C -3.051 172.468 175.510 0.014 0.000 1.874 647 N CA -0.963 52.086 53.050 -0.002 0.000 0.885 647 N CB 1.219 39.709 38.487 0.005 0.000 1.242 647 N HN 0.355 nan 8.380 nan 0.000 0.488 648 P HA -0.007 nan 4.420 nan 0.000 0.266 648 P C -0.322 176.999 177.300 0.036 0.000 1.195 648 P CA 0.446 63.565 63.100 0.032 0.000 0.768 648 P CB 1.060 32.771 31.700 0.017 0.000 0.838 649 S N 1.068 116.800 115.700 0.053 0.000 2.616 649 S HA 0.503 4.973 4.470 0.000 0.000 0.276 649 S C 0.298 174.940 174.600 0.069 0.000 1.159 649 S CA -0.183 58.047 58.200 0.050 0.000 1.000 649 S CB 0.584 63.805 63.200 0.034 0.000 1.117 649 S HN 0.439 nan 8.310 nan 0.000 0.464 650 A N 2.964 125.833 122.820 0.082 0.000 2.267 650 A HA 0.304 4.624 4.320 0.000 0.000 0.213 650 A C 0.554 178.213 177.584 0.125 0.000 1.192 650 A CA 0.176 52.286 52.037 0.122 0.000 0.851 650 A CB -0.069 19.012 19.000 0.135 0.000 0.881 650 A HN 0.654 nan 8.150 nan 0.000 0.494 651 D N 1.410 121.866 120.400 0.094 0.000 2.631 651 D HA 0.180 4.820 4.640 0.000 0.000 0.227 651 D C -0.328 176.010 176.300 0.064 0.000 1.146 651 D CA -0.197 53.867 54.000 0.106 0.000 1.009 651 D CB -0.103 40.758 40.800 0.101 0.000 1.057 651 D HN 0.145 nan 8.370 nan 0.000 0.509 652 L N 2.631 123.881 121.223 0.045 0.000 2.410 652 L HA 0.206 4.546 4.340 0.000 0.000 0.273 652 L C 0.220 177.096 176.870 0.010 0.000 1.152 652 L CA -0.051 54.780 54.840 -0.016 0.000 0.855 652 L CB 0.533 42.562 42.059 -0.049 0.000 1.129 652 L HN 0.193 nan 8.230 nan 0.000 0.463 653 N N 4.662 123.348 118.700 -0.023 0.000 2.416 653 N HA -0.037 4.703 4.740 0.000 0.000 0.291 653 N C -1.293 174.205 175.510 -0.020 0.000 1.257 653 N CA 0.376 53.422 53.050 -0.007 0.000 1.043 653 N CB -0.603 37.882 38.487 -0.002 0.000 1.441 653 N HN 0.432 nan 8.380 nan 0.000 0.490 654 Y N 3.354 123.494 120.300 -0.267 0.000 2.409 654 Y HA 0.414 4.965 4.550 0.000 0.000 0.339 654 Y C -1.691 173.789 175.900 -0.701 0.000 1.033 654 Y CA -2.243 55.641 58.100 -0.359 0.000 1.094 654 Y CB 1.942 40.221 38.460 -0.302 0.000 1.210 654 Y HN 0.424 nan 8.280 nan 0.000 0.456 655 P HA 0.042 nan 4.420 nan 0.000 0.271 655 P C -1.036 175.885 177.300 -0.632 0.000 1.535 655 P CA 0.615 63.143 63.100 -0.953 0.000 0.820 655 P CB -0.214 31.165 31.700 -0.536 0.000 1.606 656 S N -1.153 114.145 115.700 -0.670 0.000 2.611 656 S HA 0.714 5.184 4.470 0.000 0.000 0.268 656 S C -1.348 172.696 174.600 -0.927 0.000 1.156 656 S CA -0.802 57.088 58.200 -0.518 0.000 0.817 656 S CB 0.923 64.059 63.200 -0.107 0.000 1.122 656 S HN -0.098 nan 8.310 nan 0.000 0.466 657 F N 0.400 120.207 119.950 -0.239 0.000 2.569 657 F HA 0.725 5.252 4.527 0.000 0.000 0.312 657 F C -0.474 175.114 175.800 -0.353 0.000 1.109 657 F CA -0.796 56.908 58.000 -0.493 0.000 0.919 657 F CB 1.963 40.574 39.000 -0.648 0.000 1.211 657 F HN 0.757 nan 8.300 nan 0.000 0.446 658 I N 2.352 122.810 120.570 -0.186 0.000 2.534 658 I HA 0.784 4.954 4.170 0.000 0.000 0.288 658 I C -1.368 174.791 176.117 0.070 0.000 1.077 658 I CA -0.588 60.675 61.300 -0.062 0.000 1.051 658 I CB 1.386 39.343 38.000 -0.073 0.000 1.234 658 I HN 0.725 nan 8.210 nan 0.000 0.425 659 A N 8.513 131.331 122.820 -0.003 0.000 2.258 659 A HA 0.718 5.038 4.320 0.000 0.000 0.316 659 A C -1.082 176.490 177.584 -0.020 0.000 1.279 659 A CA -0.479 51.517 52.037 -0.068 0.000 0.876 659 A CB 0.538 19.125 19.000 -0.689 0.000 1.170 659 A HN 0.703 nan 8.150 nan 0.000 0.520 660 L N 2.741 124.062 121.223 0.162 0.000 2.343 660 L HA 0.651 4.992 4.340 0.000 0.000 0.275 660 L C -0.552 176.521 176.870 0.339 0.000 1.056 660 L CA -0.802 54.113 54.840 0.125 0.000 0.804 660 L CB 1.268 43.335 42.059 0.012 0.000 1.203 660 L HN 0.779 nan 8.230 nan 0.000 0.440 661 Y N 0.068 120.514 120.300 0.244 0.000 2.421 661 Y HA 0.582 5.133 4.550 0.000 0.000 0.339 661 Y C -0.230 175.775 175.900 0.175 0.000 0.996 661 Y CA -1.090 57.150 58.100 0.232 0.000 1.046 661 Y CB 1.450 40.092 38.460 0.303 0.000 1.226 661 Y HN 0.485 nan 8.280 nan 0.000 0.445 662 S N 3.538 119.393 115.700 0.258 0.000 2.572 662 S HA 0.267 4.737 4.470 0.000 0.000 0.279 662 S C 0.614 175.360 174.600 0.243 0.000 1.341 662 S CA -0.326 57.961 58.200 0.146 0.000 1.043 662 S CB 0.258 63.488 63.200 0.051 0.000 0.887 662 S HN 0.904 nan 8.310 nan 0.000 0.516 663 I N 1.153 121.810 120.570 0.145 0.000 3.947 663 I HA 0.421 4.592 4.170 0.000 0.000 0.327 663 I C 0.102 176.187 176.117 -0.053 0.000 1.519 663 I CA 0.067 61.454 61.300 0.145 0.000 1.122 663 I CB -0.822 37.376 38.000 0.329 0.000 1.146 663 I HN 0.613 nan 8.210 nan 0.000 0.442 664 E N 2.074 122.220 120.200 -0.089 0.000 2.304 664 E HA 0.519 4.869 4.350 0.000 0.000 0.212 664 E C 0.675 177.192 176.600 -0.139 0.000 1.185 664 E CA 0.059 56.409 56.400 -0.082 0.000 1.326 664 E CB 0.187 29.861 29.700 -0.043 0.000 1.283 664 E HN 0.757 nan 8.360 nan 0.000 0.440 665 G N 0.471 109.115 108.800 -0.259 0.000 2.368 665 G HA2 -0.094 3.866 3.960 0.000 0.000 0.269 665 G HA3 -0.094 3.866 3.960 0.000 0.000 0.269 665 G C -1.197 173.432 174.900 -0.453 0.000 1.291 665 G CA -1.116 43.827 45.100 -0.261 0.000 0.903 665 G HN 0.047 nan 8.290 nan 0.000 0.483 666 N N -0.032 118.494 118.700 -0.290 0.000 2.454 666 N HA 0.385 5.126 4.740 0.000 0.000 0.254 666 N C -0.709 174.594 175.510 -0.344 0.000 1.228 666 N CA 0.426 53.328 53.050 -0.246 0.000 0.900 666 N CB 0.092 38.523 38.487 -0.094 0.000 1.089 666 N HN 0.283 nan 8.380 nan 0.000 0.449 667 F N 0.089 120.024 119.950 -0.025 0.000 2.410 667 F HA 0.296 4.823 4.527 0.000 0.000 0.349 667 F C 1.250 177.008 175.800 -0.070 0.000 1.117 667 F CA -0.300 57.669 58.000 -0.053 0.000 1.104 667 F CB 1.442 40.393 39.000 -0.083 0.000 1.122 667 F HN 0.143 nan 8.300 nan 0.000 0.483 668 T N 4.405 119.002 114.554 0.072 0.000 2.906 668 T HA 0.344 4.695 4.350 0.000 0.000 0.295 668 T C -1.019 173.650 174.700 -0.052 0.000 1.075 668 T CA -0.773 61.328 62.100 0.002 0.000 1.005 668 T CB 1.067 69.921 68.868 -0.023 0.000 1.136 668 T HN 0.442 nan 8.240 nan 0.000 0.498 669 L N 4.597 125.779 121.223 -0.068 0.000 2.640 669 L HA 0.227 4.567 4.340 0.000 0.000 0.280 669 L C -1.010 175.759 176.870 -0.169 0.000 1.229 669 L CA 1.054 55.826 54.840 -0.113 0.000 0.919 669 L CB -0.820 41.195 42.059 -0.073 0.000 1.168 669 L HN 0.617 nan 8.230 nan 0.000 0.496 670 L N 4.765 125.796 121.223 -0.319 0.000 2.323 670 L HA 0.582 4.922 4.340 0.000 0.000 0.265 670 L C -0.345 176.316 176.870 -0.348 0.000 1.012 670 L CA -0.682 53.919 54.840 -0.398 0.000 0.820 670 L CB 2.343 44.012 42.059 -0.651 0.000 1.334 670 L HN 0.639 nan 8.230 nan 0.000 0.427 671 E N 1.598 121.707 120.200 -0.151 0.000 2.340 671 E HA 0.504 4.854 4.350 0.000 0.000 0.273 671 E C -1.665 174.973 176.600 0.063 0.000 0.891 671 E CA -0.622 55.783 56.400 0.008 0.000 0.757 671 E CB 2.661 32.354 29.700 -0.012 0.000 1.231 671 E HN 0.455 nan 8.360 nan 0.000 0.439 672 Q N 2.457 122.304 119.800 0.078 0.000 2.289 672 Q HA 0.381 4.722 4.340 0.000 0.000 0.270 672 Q C -1.904 173.864 176.000 -0.386 0.000 1.038 672 Q CA -0.594 55.120 55.803 -0.149 0.000 0.812 672 Q CB 1.747 30.418 28.738 -0.112 0.000 1.300 672 Q HN 0.396 nan 8.270 nan 0.000 0.427 673 K N 3.002 123.129 120.400 -0.456 0.000 2.244 673 K HA 0.557 4.877 4.320 0.000 0.000 0.260 673 K C -1.159 175.134 176.600 -0.513 0.000 0.951 673 K CA -0.517 55.555 56.287 -0.359 0.000 0.826 673 K CB 1.123 33.544 32.500 -0.132 0.000 1.108 673 K HN 0.453 nan 8.250 nan 0.000 0.433 674 F N 1.658 121.667 119.950 0.099 0.000 2.495 674 F HA 0.398 4.925 4.527 0.000 0.000 0.327 674 F C 0.213 176.076 175.800 0.105 0.000 1.103 674 F CA -0.875 57.218 58.000 0.155 0.000 0.949 674 F CB 1.636 40.836 39.000 0.333 0.000 1.142 674 F HN 0.174 nan 8.300 nan 0.000 0.457 675 K N 3.661 124.202 120.400 0.235 0.000 2.235 675 K HA 0.583 4.903 4.320 0.000 0.000 0.266 675 K C -0.668 175.937 176.600 0.008 0.000 0.980 675 K CA -0.743 55.587 56.287 0.072 0.000 0.849 675 K CB 0.803 33.329 32.500 0.043 0.000 1.098 675 K HN 0.572 nan 8.250 nan 0.000 0.445 676 R N 1.664 122.035 120.500 -0.215 0.000 2.854 676 R HA 0.453 4.793 4.340 0.000 0.000 0.271 676 R C -1.035 175.119 176.300 -0.244 0.000 0.994 676 R CA -0.811 55.151 56.100 -0.229 0.000 0.945 676 R CB 2.216 32.335 30.300 -0.301 0.000 1.194 676 R HN 0.585 nan 8.270 nan 0.000 0.476 677 T N 0.763 115.270 114.554 -0.079 0.000 2.890 677 T HA 0.247 4.597 4.350 0.000 0.000 0.295 677 T C -0.991 173.613 174.700 -0.159 0.000 0.993 677 T CA -0.473 61.570 62.100 -0.095 0.000 0.979 677 T CB 1.700 70.527 68.868 -0.068 0.000 0.967 677 T HN 0.233 nan 8.240 nan 0.000 0.441 678 V N 4.464 124.236 119.914 -0.237 0.000 2.370 678 V HA 0.705 4.825 4.120 0.000 0.000 0.283 678 V C 0.278 176.222 176.094 -0.251 0.000 1.023 678 V CA -0.175 61.852 62.300 -0.455 0.000 0.857 678 V CB 1.485 32.904 31.823 -0.674 0.000 0.985 678 V HN 0.948 nan 8.190 nan 0.000 0.443 679 T N 4.367 118.734 114.554 -0.312 0.000 2.907 679 T HA 0.363 4.714 4.350 0.000 0.000 0.284 679 T C -0.140 174.331 174.700 -0.382 0.000 1.004 679 T CA -0.568 61.398 62.100 -0.222 0.000 1.063 679 T CB 0.917 69.658 68.868 -0.211 0.000 0.992 679 T HN 0.843 nan 8.240 nan 0.000 0.483 680 N N 3.093 121.583 118.700 -0.350 0.000 2.420 680 N HA 0.258 4.999 4.740 0.000 0.000 0.249 680 N C 0.635 175.969 175.510 -0.293 0.000 1.033 680 N CA -0.512 52.228 53.050 -0.515 0.000 0.944 680 N CB 0.956 39.059 38.487 -0.640 0.000 1.113 680 N HN 0.509 nan 8.380 nan 0.000 0.502 681 V N 1.289 121.023 119.914 -0.301 0.000 3.542 681 V HA 0.533 4.654 4.120 0.000 0.000 0.296 681 V C 1.131 177.187 176.094 -0.064 0.000 1.364 681 V CA -0.074 62.134 62.300 -0.152 0.000 1.118 681 V CB -0.504 31.212 31.823 -0.179 0.000 0.972 681 V HN 0.463 nan 8.190 nan 0.000 0.430 686 A N 0.648 123.562 122.820 0.156 0.000 2.583 686 A HA 0.994 5.314 4.320 0.000 0.000 0.292 686 A C -0.498 177.214 177.584 0.213 0.000 1.045 686 A CA 0.198 52.290 52.037 0.092 0.000 0.672 686 A CB 0.764 19.765 19.000 0.002 0.000 1.283 686 A HN 2.564 nan 8.150 nan 0.000 0.419 687 T N -1.084 113.496 114.554 0.043 0.000 2.916 687 T HA 0.765 5.115 4.350 0.000 0.000 0.298 687 T C -1.284 173.418 174.700 0.004 0.000 1.031 687 T CA -0.417 61.784 62.100 0.167 0.000 0.993 687 T CB 0.986 69.923 68.868 0.114 0.000 1.045 687 T HN 0.708 nan 8.240 nan 0.000 0.454 688 Y N 0.833 121.316 120.300 0.305 0.000 2.468 688 Y HA 0.668 5.218 4.550 0.000 0.000 0.342 688 Y C 0.449 176.561 175.900 0.353 0.000 1.021 688 Y CA -1.098 57.221 58.100 0.365 0.000 1.079 688 Y CB 2.234 41.027 38.460 0.554 0.000 1.226 688 Y HN 0.583 nan 8.280 nan 0.000 0.460 689 K N 1.434 122.027 120.400 0.321 0.000 2.270 689 K HA 0.791 5.111 4.320 0.000 0.000 0.255 689 K C -0.984 175.484 176.600 -0.220 0.000 0.936 689 K CA -1.008 55.324 56.287 0.075 0.000 0.809 689 K CB 1.954 34.469 32.500 0.025 0.000 1.131 689 K HN 0.719 nan 8.250 nan 0.000 0.427 690 A N 3.053 125.559 122.820 -0.523 0.000 2.309 690 A HA 0.191 4.511 4.320 0.000 0.000 0.290 690 A C -0.435 176.871 177.584 -0.463 0.000 1.206 690 A CA -0.245 51.239 52.037 -0.922 0.000 0.850 690 A CB 0.157 18.377 19.000 -1.300 0.000 1.118 690 A HN 0.692 nan 8.150 nan 0.000 0.523 691 K N 2.835 123.021 120.400 -0.357 0.000 2.185 691 K HA 0.575 4.896 4.320 0.000 0.000 0.269 691 K C -1.560 174.924 176.600 -0.193 0.000 0.987 691 K CA -0.543 55.623 56.287 -0.202 0.000 0.865 691 K CB 0.586 33.018 32.500 -0.113 0.000 1.090 691 K HN 0.499 nan 8.250 nan 0.000 0.450 692 L N 3.932 125.067 121.223 -0.146 0.000 2.341 692 L HA 0.442 4.782 4.340 0.000 0.000 0.278 692 L C -0.537 176.290 176.870 -0.071 0.000 1.005 692 L CA -0.230 54.538 54.840 -0.120 0.000 0.818 692 L CB 1.663 43.648 42.059 -0.123 0.000 1.259 692 L HN 0.557 nan 8.230 nan 0.000 0.418 693 K N 2.661 123.029 120.400 -0.054 0.000 2.572 693 K HA 0.762 5.082 4.320 0.000 0.000 0.244 693 K C -0.953 175.632 176.600 -0.026 0.000 0.965 693 K CA -0.470 55.797 56.287 -0.032 0.000 0.943 693 K CB 1.334 33.821 32.500 -0.020 0.000 1.154 693 K HN 0.744 nan 8.250 nan 0.000 0.447 694 A N 5.205 128.012 122.820 -0.022 0.000 2.363 694 A HA 0.433 4.753 4.320 0.000 0.000 0.270 694 A C -2.317 175.264 177.584 -0.004 0.000 1.121 694 A CA -1.276 50.753 52.037 -0.014 0.000 0.800 694 A CB -0.044 18.952 19.000 -0.006 0.000 1.052 694 A HN 0.523 nan 8.150 nan 0.000 0.493 695 P HA 0.015 nan 4.420 nan 0.000 0.270 695 P C -0.085 177.221 177.300 0.010 0.000 1.221 695 P CA -0.067 63.035 63.100 0.004 0.000 0.788 695 P CB 0.386 32.086 31.700 -0.001 0.000 0.904 696 K N 1.879 122.284 120.400 0.008 0.000 2.414 696 K HA -0.008 4.313 4.320 0.000 0.000 0.272 696 K C 0.156 176.761 176.600 0.009 0.000 0.993 696 K CA 0.057 56.347 56.287 0.005 0.000 0.964 696 K CB -0.264 32.235 32.500 -0.001 0.000 0.925 696 K HN 0.377 nan 8.250 nan 0.000 0.487 697 N N 1.248 119.949 118.700 0.002 0.000 2.725 697 N HA -0.204 4.536 4.740 0.000 0.000 0.251 697 N C -1.663 173.865 175.510 0.030 0.000 1.031 697 N CA 1.502 54.552 53.050 0.000 0.000 0.720 697 N CB -1.338 37.134 38.487 -0.025 0.000 0.930 697 N HN 0.683 nan 8.380 nan 0.000 0.543 698 S N -3.656 112.069 115.700 0.041 0.000 2.578 698 S HA 0.682 5.152 4.470 0.000 0.000 0.272 698 S C -0.368 174.264 174.600 0.053 0.000 1.145 698 S CA -0.379 57.868 58.200 0.078 0.000 0.835 698 S CB 2.248 65.530 63.200 0.136 0.000 1.104 698 S HN 0.442 nan 8.310 nan 0.000 0.458 699 T N -0.379 114.213 114.554 0.063 0.000 2.912 699 T HA 0.830 5.180 4.350 0.000 0.000 0.288 699 T C -0.050 174.678 174.700 0.046 0.000 1.030 699 T CA -0.771 61.352 62.100 0.039 0.000 1.020 699 T CB 0.953 69.837 68.868 0.028 0.000 1.056 699 T HN 1.514 nan 8.240 nan 0.000 0.480 700 I N -0.860 119.722 120.570 0.020 0.000 3.042 700 I HA 0.911 5.081 4.170 0.000 0.000 0.310 700 I C -0.960 175.155 176.117 -0.003 0.000 1.117 700 I CA -1.155 60.153 61.300 0.013 0.000 1.003 700 I CB 2.573 40.565 38.000 -0.014 0.000 1.228 700 I HN 0.970 nan 8.210 nan 0.000 0.443 701 S N 2.412 118.113 115.700 0.001 0.000 2.543 701 S HA 0.726 5.197 4.470 0.000 0.000 0.274 701 S C -1.418 173.194 174.600 0.019 0.000 1.149 701 S CA -0.689 57.509 58.200 -0.002 0.000 0.866 701 S CB 1.666 64.873 63.200 0.011 0.000 1.111 701 S HN 0.963 nan 8.310 nan 0.000 0.457 702 V N 0.682 120.602 119.914 0.010 0.000 3.074 702 V HA 0.976 5.096 4.120 0.000 0.000 0.314 702 V C -0.954 175.203 176.094 0.106 0.000 1.117 702 V CA -0.055 62.292 62.300 0.079 0.000 1.014 702 V CB 2.166 33.977 31.823 -0.019 0.000 1.057 702 V HN 1.449 nan 8.190 nan 0.000 0.438 703 S N 4.949 120.774 115.700 0.208 0.000 2.584 703 S HA 0.611 5.081 4.470 0.000 0.000 0.280 703 S C -3.105 171.650 174.600 0.257 0.000 1.162 703 S CA -0.790 57.518 58.200 0.181 0.000 0.951 703 S CB 2.213 65.486 63.200 0.122 0.000 1.108 703 S HN 0.757 nan 8.310 nan 0.000 0.464 704 P HA 0.278 nan 4.420 nan 0.000 0.274 704 P C -0.091 177.319 177.300 0.183 0.000 1.256 704 P CA -0.163 63.037 63.100 0.167 0.000 0.795 704 P CB 0.532 32.316 31.700 0.139 0.000 1.038 705 Q N -0.532 119.331 119.800 0.105 0.000 2.425 705 Q HA 0.239 4.579 4.340 0.000 0.000 0.204 705 Q C 0.183 176.234 176.000 0.085 0.000 0.933 705 Q CA 0.598 56.423 55.803 0.038 0.000 0.939 705 Q CB -0.017 28.718 28.738 -0.006 0.000 1.044 705 Q HN 0.430 nan 8.270 nan 0.000 0.513 706 I N 0.823 121.498 120.570 0.175 0.000 2.607 706 I HA 0.297 4.467 4.170 0.000 0.000 0.290 706 I C -1.205 175.064 176.117 0.254 0.000 1.129 706 I CA -0.695 60.742 61.300 0.228 0.000 1.042 706 I CB 2.120 40.199 38.000 0.131 0.000 1.242 706 I HN -0.092 nan 8.210 nan 0.000 0.421 707 L N 6.360 127.793 121.223 0.350 0.000 2.313 707 L HA 0.634 4.974 4.340 0.000 0.000 0.283 707 L C -0.738 176.208 176.870 0.128 0.000 1.013 707 L CA -0.975 53.957 54.840 0.154 0.000 0.816 707 L CB 1.997 44.129 42.059 0.121 0.000 1.236 707 L HN 0.245 nan 8.230 nan 0.000 0.419 708 V N 3.340 123.181 119.914 -0.123 0.000 2.459 708 V HA 0.466 4.586 4.120 0.000 0.000 0.295 708 V C -0.615 175.307 176.094 -0.287 0.000 1.029 708 V CA -0.403 61.866 62.300 -0.051 0.000 0.874 708 V CB 1.672 33.482 31.823 -0.022 0.000 0.985 708 V HN 0.389 nan 8.190 nan 0.000 0.438 709 F N 3.106 123.094 119.950 0.064 0.000 2.493 709 F HA 0.495 5.022 4.527 0.000 0.000 0.329 709 F C 1.034 176.854 175.800 0.032 0.000 1.126 709 F CA -0.681 57.345 58.000 0.044 0.000 0.937 709 F CB 2.125 41.161 39.000 0.061 0.000 1.146 709 F HN 0.374 nan 8.300 nan 0.000 0.442 710 K N 1.461 121.952 120.400 0.151 0.000 2.361 710 K HA 0.100 4.420 4.320 0.000 0.000 0.196 710 K C -0.293 176.369 176.600 0.104 0.000 1.039 710 K CA 0.470 56.816 56.287 0.097 0.000 1.001 710 K CB 0.030 32.560 32.500 0.050 0.000 0.795 710 K HN 0.729 nan 8.250 nan 0.000 0.495 711 N N -0.517 118.264 118.700 0.135 0.000 3.533 711 N HA -0.019 4.721 4.740 0.000 0.000 0.229 711 N C -1.600 173.969 175.510 0.098 0.000 1.418 711 N CA -0.956 52.154 53.050 0.100 0.000 0.880 711 N CB 0.570 39.098 38.487 0.068 0.000 1.415 711 N HN -0.196 nan 8.380 nan 0.000 0.491 712 K N -0.014 120.422 120.400 0.060 0.000 2.527 712 K HA 0.049 4.369 4.320 0.000 0.000 0.278 712 K C -0.153 176.467 176.600 0.033 0.000 0.981 712 K CA 0.623 56.929 56.287 0.033 0.000 1.009 712 K CB -0.034 32.488 32.500 0.035 0.000 0.895 712 K HN 0.625 nan 8.250 nan 0.000 0.493 713 N N 0.712 119.412 118.700 0.000 0.000 2.965 713 N HA -0.212 4.528 4.740 0.000 0.000 0.232 713 N C -0.659 174.867 175.510 0.027 0.000 0.913 713 N CA 1.205 54.251 53.050 -0.006 0.000 0.981 713 N CB -0.942 37.551 38.487 0.010 0.000 1.077 713 N HN 0.817 nan 8.380 nan 0.000 0.589 714 E N 1.631 121.888 120.200 0.094 0.000 2.384 714 E HA 0.129 4.479 4.350 0.000 0.000 0.266 714 E C -0.357 176.361 176.600 0.196 0.000 1.012 714 E CA 0.197 56.683 56.400 0.143 0.000 0.901 714 E CB 0.591 30.414 29.700 0.205 0.000 0.967 714 E HN 0.065 nan 8.360 nan 0.000 0.435 715 K N 3.117 123.570 120.400 0.088 0.000 2.123 715 K HA 0.289 4.609 4.320 0.000 0.000 0.259 715 K C -0.699 175.895 176.600 -0.010 0.000 0.960 715 K CA -0.763 55.561 56.287 0.061 0.000 0.872 715 K CB 1.676 34.170 32.500 -0.010 0.000 1.079 715 K HN 0.344 nan 8.250 nan 0.000 0.440 716 Q N 0.584 120.372 119.800 -0.019 0.000 2.315 716 Q HA 0.336 4.676 4.340 0.000 0.000 0.273 716 Q C -1.579 174.384 176.000 -0.060 0.000 1.053 716 Q CA -0.291 55.431 55.803 -0.136 0.000 0.817 716 Q CB 2.366 30.860 28.738 -0.407 0.000 1.326 716 Q HN 0.570 nan 8.270 nan 0.000 0.423 717 S N 2.113 117.793 115.700 -0.033 0.000 2.578 717 S HA 0.850 5.321 4.470 0.000 0.000 0.301 717 S C -1.427 173.246 174.600 0.122 0.000 1.091 717 S CA -0.491 57.706 58.200 -0.004 0.000 1.032 717 S CB 0.700 63.885 63.200 -0.024 0.000 1.064 717 S HN 0.551 nan 8.310 nan 0.000 0.508 718 Y N -1.443 118.892 120.300 0.058 0.000 2.744 718 Y HA 0.799 5.349 4.550 0.000 0.000 0.330 718 Y C -1.082 174.932 175.900 0.190 0.000 1.263 718 Y CA -1.025 57.163 58.100 0.147 0.000 1.065 718 Y CB 0.978 39.595 38.460 0.262 0.000 1.306 718 Y HN 0.408 nan 8.280 nan 0.000 0.459 719 T N 3.068 117.866 114.554 0.406 0.000 2.949 719 T HA 0.430 4.781 4.350 0.000 0.000 0.300 719 T C -1.661 173.252 174.700 0.355 0.000 0.988 719 T CA -0.411 61.843 62.100 0.258 0.000 0.993 719 T CB 1.179 70.138 68.868 0.151 0.000 0.984 719 T HN 0.761 nan 8.240 nan 0.000 0.442 720 L N 3.504 124.929 121.223 0.337 0.000 2.334 720 L HA 0.806 5.146 4.340 0.000 0.000 0.277 720 L C 0.091 177.062 176.870 0.168 0.000 1.075 720 L CA 0.258 55.228 54.840 0.215 0.000 0.804 720 L CB 1.501 43.551 42.059 -0.015 0.000 1.174 720 L HN 0.667 nan 8.230 nan 0.000 0.438 721 T N 5.310 119.925 114.554 0.102 0.000 2.937 721 T HA 0.678 5.028 4.350 0.000 0.000 0.297 721 T C -0.899 173.849 174.700 0.081 0.000 0.991 721 T CA -0.460 61.679 62.100 0.065 0.000 0.990 721 T CB 0.283 69.175 68.868 0.040 0.000 0.991 721 T HN 0.361 nan 8.240 nan 0.000 0.440 722 I N 4.395 125.037 120.570 0.120 0.000 2.412 722 I HA 0.567 4.738 4.170 0.000 0.000 0.296 722 I C 0.381 176.651 176.117 0.254 0.000 0.987 722 I CA -0.717 60.685 61.300 0.170 0.000 1.180 722 I CB 1.676 39.781 38.000 0.175 0.000 1.340 722 I HN 0.519 nan 8.210 nan 0.000 0.455 723 R N 6.118 126.751 120.500 0.223 0.000 2.320 723 R HA 0.586 4.926 4.340 0.000 0.000 0.319 723 R C -1.429 175.007 176.300 0.228 0.000 0.969 723 R CA -0.726 55.484 56.100 0.183 0.000 0.857 723 R CB 1.106 31.448 30.300 0.070 0.000 1.160 723 R HN 0.691 nan 8.270 nan 0.000 0.491 724 Y N 0.322 120.634 120.300 0.019 0.000 2.638 724 Y HA 0.742 5.292 4.550 0.000 0.000 0.339 724 Y C -0.984 174.902 175.900 -0.022 0.000 1.084 724 Y CA -1.845 56.258 58.100 0.004 0.000 1.068 724 Y CB 1.551 40.033 38.460 0.036 0.000 1.294 724 Y HN 0.437 nan 8.280 nan 0.000 0.480 725 I N 1.352 121.891 120.570 -0.052 0.000 2.656 725 I HA 0.767 4.937 4.170 0.000 0.000 0.292 725 I C -0.159 175.755 176.117 -0.338 0.000 1.144 725 I CA -0.728 60.453 61.300 -0.197 0.000 1.038 725 I CB 1.944 39.864 38.000 -0.134 0.000 1.244 725 I HN 1.060 nan 8.210 nan 0.000 0.420 726 G N 3.900 112.311 108.800 -0.648 0.000 2.532 726 G HA2 0.625 4.586 3.960 0.000 0.000 0.291 726 G HA3 0.625 4.586 3.960 0.000 0.000 0.291 726 G C -1.413 172.682 174.900 -1.341 0.000 1.349 726 G CA -0.088 44.074 45.100 -1.564 0.000 1.038 726 G HN 0.740 nan 8.290 nan 0.000 0.518 732 R N 3.315 123.864 120.500 0.081 0.000 2.275 732 R HA 0.551 4.891 4.340 0.000 0.000 0.326 732 R C -0.515 175.813 176.300 0.047 0.000 0.973 732 R CA -0.609 55.533 56.100 0.070 0.000 0.854 732 R CB 0.616 30.934 30.300 0.030 0.000 1.156 732 R HN 0.462 nan 8.270 nan 0.000 0.487 733 N N 0.993 119.725 118.700 0.052 0.000 2.487 733 N HA 0.368 5.108 4.740 0.000 0.000 0.292 733 N C -0.950 174.570 175.510 0.016 0.000 1.108 733 N CA -0.558 52.509 53.050 0.028 0.000 0.956 733 N CB 2.285 40.788 38.487 0.027 0.000 1.176 733 N HN 0.225 nan 8.380 nan 0.000 0.484 734 V N -0.127 119.794 119.914 0.011 0.000 2.769 734 V HA 0.956 5.076 4.120 0.000 0.000 0.312 734 V C 0.131 176.229 176.094 0.007 0.000 1.061 734 V CA -0.187 62.118 62.300 0.009 0.000 0.931 734 V CB 1.344 33.175 31.823 0.013 0.000 1.010 734 V HN 0.772 nan 8.190 nan 0.000 0.433 735 G N 3.455 112.259 108.800 0.008 0.000 2.947 735 G HA2 0.860 4.821 3.960 0.000 0.000 0.293 735 G HA3 0.860 4.821 3.960 0.000 0.000 0.293 735 G C -0.784 174.125 174.900 0.016 0.000 1.243 735 G CA -0.037 45.066 45.100 0.004 0.000 0.802 735 G HN 1.786 nan 8.290 nan 0.000 0.560 736 S N -1.879 113.825 115.700 0.008 0.000 2.627 736 S HA 0.637 5.108 4.470 0.000 0.000 0.268 736 S C -1.613 172.987 174.600 0.001 0.000 1.130 736 S CA -0.675 57.544 58.200 0.032 0.000 0.819 736 S CB 1.376 64.602 63.200 0.043 0.000 1.100 736 S HN 1.483 nan 8.310 nan 0.000 0.465 737 I N 1.164 121.758 120.570 0.041 0.000 2.499 737 I HA 0.664 4.834 4.170 0.000 0.000 0.288 737 I C -1.574 174.569 176.117 0.044 0.000 1.048 737 I CA -0.203 61.082 61.300 -0.027 0.000 1.062 737 I CB 1.993 39.968 38.000 -0.041 0.000 1.238 737 I HN 0.863 nan 8.210 nan 0.000 0.426 738 T N 6.436 120.954 114.554 -0.059 0.000 2.840 738 T HA 0.301 4.651 4.350 0.000 0.000 0.287 738 T C -0.861 173.825 174.700 -0.024 0.000 0.991 738 T CA -0.254 61.872 62.100 0.043 0.000 0.964 738 T CB 1.016 69.909 68.868 0.043 0.000 0.954 738 T HN 0.456 nan 8.240 nan 0.000 0.438 739 W N 4.395 125.727 121.300 0.054 0.000 2.360 739 W HA 0.421 5.081 4.660 0.000 0.000 0.344 739 W C 0.047 176.728 176.519 0.270 0.000 1.025 739 W CA -0.663 56.735 57.345 0.089 0.000 1.480 739 W CB 0.736 30.153 29.460 -0.071 0.000 1.350 739 W HN 0.373 nan 8.180 nan 0.000 0.382 740 V N 5.608 125.734 119.914 0.354 0.000 2.406 740 V HA 0.180 4.300 4.120 0.000 0.000 0.272 740 V C 0.271 176.516 176.094 0.251 0.000 1.043 740 V CA -0.322 62.154 62.300 0.294 0.000 0.915 740 V CB 1.174 33.071 31.823 0.122 0.000 0.988 740 V HN 0.498 nan 8.190 nan 0.000 0.466 741 E N 4.895 125.160 120.200 0.109 0.000 2.414 741 E HA 0.054 4.404 4.350 0.000 0.000 0.263 741 E C 0.450 176.960 176.600 -0.149 0.000 1.000 741 E CA -0.253 55.921 56.400 -0.378 0.000 0.914 741 E CB 0.925 30.398 29.700 -0.378 0.000 0.948 741 E HN 0.798 nan 8.360 nan 0.000 0.444 742 Q N 2.468 122.173 119.800 -0.158 0.000 2.123 742 Q HA -0.001 4.339 4.340 0.000 0.000 0.196 742 Q C 0.241 176.207 176.000 -0.057 0.000 0.958 742 Q CA 0.962 56.726 55.803 -0.064 0.000 0.841 742 Q CB 0.151 28.869 28.738 -0.033 0.000 0.915 742 Q HN 0.431 nan 8.270 nan 0.000 0.455 743 N N 0.600 119.255 118.700 -0.075 0.000 2.839 743 N HA 0.342 5.082 4.740 0.000 0.000 0.314 743 N C -0.389 175.090 175.510 -0.052 0.000 1.449 743 N CA 0.226 53.247 53.050 -0.049 0.000 1.050 743 N CB 1.080 39.548 38.487 -0.031 0.000 1.364 743 N HN 0.183 nan 8.380 nan 0.000 0.512 744 G N -0.305 108.459 108.800 -0.061 0.000 2.427 744 G HA2 0.082 4.042 3.960 0.000 0.000 0.306 744 G HA3 0.082 4.042 3.960 0.000 0.000 0.306 744 G C -0.502 174.356 174.900 -0.069 0.000 1.280 744 G CA -0.420 44.641 45.100 -0.066 0.000 0.837 744 G HN 0.109 nan 8.290 nan 0.000 0.482 745 N N -0.533 118.094 118.700 -0.121 0.000 2.200 745 N HA 0.174 4.914 4.740 0.000 0.000 0.224 745 N C -0.306 175.168 175.510 -0.059 0.000 1.179 745 N CA -0.093 52.902 53.050 -0.091 0.000 0.877 745 N CB 0.412 38.836 38.487 -0.105 0.000 1.072 745 N HN 0.535 nan 8.380 nan 0.000 0.519 746 H N 0.315 119.426 119.070 0.068 0.000 2.764 746 H HA 0.220 4.776 4.556 0.000 0.000 0.341 746 H C 0.015 175.469 175.328 0.209 0.000 1.072 746 H CA 0.495 56.632 56.048 0.149 0.000 1.444 746 H CB 0.827 30.726 29.762 0.228 0.000 1.458 746 H HN -0.149 nan 8.280 nan 0.000 0.572 747 S N 3.330 119.224 115.700 0.323 0.000 2.746 747 S HA 0.261 4.731 4.470 0.000 0.000 0.273 747 S C -1.164 173.565 174.600 0.215 0.000 1.172 747 S CA -0.850 57.502 58.200 0.252 0.000 1.116 747 S CB 0.218 63.514 63.200 0.161 0.000 1.057 747 S HN 0.382 nan 8.310 nan 0.000 0.483 748 V N 6.417 126.465 119.914 0.222 0.000 2.353 748 V HA 0.504 4.624 4.120 0.000 0.000 0.264 748 V C 0.531 176.768 176.094 0.239 0.000 1.049 748 V CA -0.568 61.837 62.300 0.175 0.000 0.896 748 V CB 0.542 32.402 31.823 0.061 0.000 1.025 748 V HN 0.755 nan 8.190 nan 0.000 0.475 749 R N 3.397 124.014 120.500 0.195 0.000 2.514 749 R HA 0.675 5.015 4.340 0.000 0.000 0.301 749 R C -0.772 175.637 176.300 0.181 0.000 0.962 749 R CA -0.208 55.999 56.100 0.179 0.000 0.882 749 R CB 1.598 31.970 30.300 0.120 0.000 1.143 749 R HN 0.658 nan 8.270 nan 0.000 0.452 750 S N 5.471 121.294 115.700 0.205 0.000 2.594 750 S HA 0.475 4.945 4.470 0.000 0.000 0.296 750 S C -2.666 172.040 174.600 0.177 0.000 1.124 750 S CA -1.265 57.038 58.200 0.171 0.000 1.011 750 S CB 2.192 65.540 63.200 0.246 0.000 1.016 750 S HN 0.560 nan 8.310 nan 0.000 0.485 751 P HA 0.489 nan 4.420 nan 0.000 0.277 751 P C -1.077 176.305 177.300 0.136 0.000 1.240 751 P CA -0.475 62.682 63.100 0.095 0.000 0.798 751 P CB 0.713 32.444 31.700 0.051 0.000 0.979 752 I N 1.392 122.016 120.570 0.090 0.000 2.498 752 I HA 0.459 4.630 4.170 0.000 0.000 0.290 752 I C -0.405 175.721 176.117 0.015 0.000 1.032 752 I CA -1.064 60.276 61.300 0.067 0.000 1.073 752 I CB 2.483 40.495 38.000 0.019 0.000 1.251 752 I HN 0.052 nan 8.210 nan 0.000 0.426 753 V N 5.206 125.115 119.914 -0.008 0.000 2.686 753 V HA 0.550 4.670 4.120 0.000 0.000 0.306 753 V C -0.134 175.933 176.094 -0.045 0.000 1.065 753 V CA -0.191 62.097 62.300 -0.019 0.000 0.894 753 V CB 2.568 34.383 31.823 -0.013 0.000 1.004 753 V HN 0.890 nan 8.190 nan 0.000 0.424 754 T N 2.935 117.470 114.554 -0.031 0.000 2.922 754 T HA 0.779 5.130 4.350 0.000 0.000 0.285 754 T C -0.164 174.570 174.700 0.057 0.000 1.005 754 T CA -0.372 61.721 62.100 -0.012 0.000 1.061 754 T CB 1.565 70.463 68.868 0.051 0.000 1.007 754 T HN 1.094 nan 8.240 nan 0.000 0.502 755 S N 2.087 117.797 115.700 0.016 0.000 2.537 755 S HA 0.602 5.072 4.470 0.000 0.000 0.271 755 S C -3.139 171.092 174.600 -0.615 0.000 1.148 755 S CA -1.217 56.885 58.200 -0.163 0.000 0.868 755 S CB 1.471 64.594 63.200 -0.129 0.000 1.115 755 S HN 0.572 nan 8.310 nan 0.000 0.461 756 P HA 0.351 nan 4.420 nan 0.000 0.272 756 P C -0.816 176.249 177.300 -0.392 0.000 1.230 756 P CA -0.280 62.315 63.100 -0.843 0.000 0.788 756 P CB 0.255 31.743 31.700 -0.353 0.000 0.949 757 I N 2.960 123.373 120.570 -0.261 0.000 2.301 757 I HA 0.232 4.402 4.170 0.000 0.000 0.292 757 I C 0.852 176.909 176.117 -0.099 0.000 1.046 757 I CA -0.343 60.871 61.300 -0.144 0.000 1.282 757 I CB -0.237 37.714 38.000 -0.081 0.000 1.409 757 I HN 0.216 nan 8.210 nan 0.000 0.484 758 I N 2.361 122.865 120.570 -0.109 0.000 3.076 758 I HA 0.478 4.648 4.170 0.000 0.000 0.313 758 I C 0.174 176.246 176.117 -0.075 0.000 1.053 758 I CA -1.022 60.231 61.300 -0.078 0.000 1.048 758 I CB 0.879 38.827 38.000 -0.087 0.000 1.264 758 I HN 0.301 nan 8.210 nan 0.000 0.498 759 E N 2.289 122.463 120.200 -0.042 0.000 2.493 759 E HA 0.126 4.476 4.350 0.000 0.000 0.255 759 E C -0.550 175.993 176.600 -0.095 0.000 0.999 759 E CA 0.108 56.496 56.400 -0.020 0.000 0.934 759 E CB 0.962 30.687 29.700 0.042 0.000 0.940 759 E HN 0.365 nan 8.360 nan 0.000 0.473 760 V N 3.900 123.765 119.914 -0.082 0.000 2.837 760 V HA 0.258 4.378 4.120 0.000 0.000 0.310 760 V C 0.539 176.640 176.094 0.011 0.000 1.059 760 V CA -0.893 61.309 62.300 -0.162 0.000 1.004 760 V CB 1.040 32.805 31.823 -0.096 0.000 1.045 760 V HN 0.592 nan 8.190 nan 0.000 0.465 761 W N 0.000 121.332 121.300 0.053 0.000 2.388 761 W HA 0.000 4.660 4.660 0.000 0.000 0.303 761 W CA 0.000 57.378 57.345 0.056 0.000 1.226 761 W CB 0.000 29.481 29.460 0.036 0.000 1.126 761 W HN 0.000 nan 8.180 nan 0.000 0.535