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 3eif_1_A DATA FIRST_RESID 97 DATA SEQUENCE TSKATIRDLN DPSQVKTLQE KASKGAGTVV AVIDAGFDKN HEAWRLTDKT DATA SEQUENCE KARYQSKEDL EKAKKEHGIT YGEWVNDKVA YYHDYSKDGK TAVDQEHGTH DATA SEQUENCE VSGILSGNAP SETKEPYRLE GAMPEAQLLL MRVEIVNGLA DYARNYAQAI DATA SEQUENCE RDAVNLGAKV INMSFGNAAL AYANLPDETK KAFDYAKSKG VSIVTSAGND DATA SEQUENCE SSFGGKTRLP LADHPDYGVV GTPAAADSTL TVASYSPDKQ LTETATVKTD DATA SEQUENCE DHQAKEMPVL STNRFEPNKA YDYAYANRGM KEDDFKDVKG KIALIERGDI DATA SEQUENCE DFKDKIANAK KAGAVGVLIY DNQDKGFPIE LPNVDQMPAA FISRKDGLLL DATA SEQUENCE KDNSKKTITF NATPKVLPTA SDTKLSRFSS WGLTADGNIK PDIAAPGQDI DATA SEQUENCE LSSVANNKYA KLSGTSMSAP LVAGIMGLLQ KQYETQYPDM TPSERLDLAK DATA SEQUENCE KVLMSSATAL YDEDEKAYFS PRQQGAGAVD AKKASAATMY VTDKDNTSSK DATA SEQUENCE VHLNNVSDKF EVTVTVHNKS DKPQELYYQA TVQTDKVDGK HFALAPKALY DATA SEQUENCE ETSWQKITIP ANSSKQVTVP IDASRFSKDL LAQMKNGYFL EGFVRFKQDP DATA SEQUENCE KKEELMSIPY IGFRGDFGNL SALEKPIYDS KDGSSYYHEA NSDAKDQLDG DATA SEQUENCE DGLQFYALKN NFTALTTESN PWTIIKAVKE GVENIEDIES SEITETIFAG DATA SEQUENCE TFAKQDDDSH YYIHRHANGK PYAAISPNGD GNRDYVQFQG TFLRNAKNLV DATA SEQUENCE AEVLDKEGNV VWTSEVTEQV VKNYNNDLAS TLGSTRFEKT RWDGKDKDGK DATA SEQUENCE VVVNGTYTYR VRYTPISSGA KEQHTDFDVI VDNTTPEVAT SATFSTEDRR DATA SEQUENCE LTLASKPKTS QPIYRERIAY TYMDEDLPTT EYISPNEDGT FTLPEEAETM DATA SEQUENCE EGGTVPLKMS DFTYVVEDMA GNITYTPVTK LLEGHS 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 97 T HA 0.000 nan 4.350 nan 0.000 0.228 97 T C 0.000 174.700 174.700 0.000 0.000 1.109 97 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 97 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 98 S N 3.185 118.888 115.700 0.005 0.000 2.498 98 S HA 0.593 5.068 4.470 0.007 0.000 0.317 98 S C -0.377 174.233 174.600 0.016 0.000 1.090 98 S CA -0.766 57.441 58.200 0.011 0.000 1.089 98 S CB 0.341 63.551 63.200 0.016 0.000 0.997 98 S HN 0.523 nan 8.310 nan 0.000 0.470 99 K N 2.467 122.877 120.400 0.017 0.000 2.098 99 K HA 0.644 4.969 4.320 0.007 0.000 0.257 99 K C 0.247 176.893 176.600 0.076 0.000 0.999 99 K CA -0.630 55.675 56.287 0.031 0.000 0.924 99 K CB 1.137 33.636 32.500 -0.000 0.000 1.028 99 K HN 0.674 nan 8.250 nan 0.000 0.466 100 A N 1.070 123.983 122.820 0.154 0.000 2.287 100 A HA 0.292 4.616 4.320 0.007 0.000 0.273 100 A C 0.216 177.903 177.584 0.172 0.000 1.091 100 A CA -0.396 51.736 52.037 0.157 0.000 0.817 100 A CB 0.244 19.359 19.000 0.192 0.000 1.069 100 A HN 0.764 nan 8.150 nan 0.000 0.492 101 T N -1.232 113.361 114.554 0.064 0.000 2.927 101 T HA 0.508 4.862 4.350 0.007 0.000 0.281 101 T C 1.146 175.819 174.700 -0.045 0.000 0.998 101 T CA -0.451 61.670 62.100 0.035 0.000 1.019 101 T CB 0.602 69.475 68.868 0.008 0.000 1.061 101 T HN 0.358 nan 8.240 nan 0.000 0.518 102 I N 0.221 120.768 120.570 -0.038 0.000 2.264 102 I HA -0.125 4.049 4.170 0.007 0.000 0.248 102 I C 3.029 179.071 176.117 -0.125 0.000 1.111 102 I CA 1.282 62.515 61.300 -0.112 0.000 1.382 102 I CB -0.331 37.642 38.000 -0.045 0.000 1.060 102 I HN 0.723 nan 8.210 nan 0.000 0.418 103 R N 0.816 121.274 120.500 -0.069 0.000 2.152 103 R HA -0.186 4.158 4.340 0.007 0.000 0.232 103 R C 1.684 177.942 176.300 -0.070 0.000 1.117 103 R CA 1.495 57.561 56.100 -0.057 0.000 0.981 103 R CB -0.130 30.153 30.300 -0.028 0.000 0.870 103 R HN 0.322 nan 8.270 nan 0.000 0.451 104 D N 0.222 120.572 120.400 -0.083 0.000 2.178 104 D HA -0.142 4.502 4.640 0.007 0.000 0.201 104 D C 1.538 177.767 176.300 -0.118 0.000 0.980 104 D CA 1.033 54.986 54.000 -0.080 0.000 0.842 104 D CB 0.145 40.906 40.800 -0.064 0.000 0.948 104 D HN 0.206 nan 8.370 nan 0.000 0.472 105 L N -0.446 120.659 121.223 -0.198 0.000 2.354 105 L HA 0.165 4.509 4.340 0.007 0.000 0.212 105 L C 0.711 177.496 176.870 -0.140 0.000 1.091 105 L CA 0.484 55.192 54.840 -0.219 0.000 0.828 105 L CB 0.180 41.988 42.059 -0.418 0.000 0.973 105 L HN -0.073 nan 8.230 nan 0.000 0.461 106 N N -0.546 118.084 118.700 -0.117 0.000 2.542 106 N HA 0.085 4.829 4.740 0.007 0.000 0.288 106 N C -1.706 173.774 175.510 -0.050 0.000 1.115 106 N CA -0.079 52.928 53.050 -0.071 0.000 0.924 106 N CB 1.392 39.837 38.487 -0.070 0.000 1.526 106 N HN -0.180 nan 8.380 nan 0.000 0.515 107 D N 4.828 125.210 120.400 -0.030 0.000 2.735 107 D HA 0.276 4.920 4.640 0.007 0.000 0.291 107 D C -1.472 174.829 176.300 0.002 0.000 1.205 107 D CA -1.604 52.386 54.000 -0.016 0.000 0.777 107 D CB 1.158 41.949 40.800 -0.015 0.000 1.234 107 D HN 0.349 nan 8.370 nan 0.000 0.520 108 P HA -0.116 nan 4.420 nan 0.000 0.217 108 P C 0.805 178.142 177.300 0.061 0.000 1.148 108 P CA 0.743 63.862 63.100 0.032 0.000 0.828 108 P CB 0.397 32.102 31.700 0.009 0.000 0.783 109 S N -0.761 114.966 115.700 0.046 0.000 2.556 109 S HA 0.054 4.528 4.470 0.007 0.000 0.216 109 S C 0.387 175.009 174.600 0.037 0.000 0.970 109 S CA -0.117 58.117 58.200 0.057 0.000 0.912 109 S CB -0.376 62.855 63.200 0.051 0.000 0.790 109 S HN 0.110 nan 8.310 nan 0.000 0.504 110 Q N -0.398 119.418 119.800 0.026 0.000 2.487 110 Q HA -0.143 4.201 4.340 0.007 0.000 0.279 110 Q C 1.072 177.078 176.000 0.011 0.000 1.228 110 Q CA 0.407 56.221 55.803 0.018 0.000 0.873 110 Q CB -2.831 25.921 28.738 0.023 0.000 1.260 110 Q HN 0.455 nan 8.270 nan 0.000 0.471 111 V N -0.028 119.890 119.914 0.007 0.000 2.392 111 V HA -0.272 3.852 4.120 0.007 0.000 0.249 111 V C 2.410 178.503 176.094 -0.001 0.000 1.059 111 V CA 2.304 64.605 62.300 0.001 0.000 1.051 111 V CB -0.327 31.496 31.823 0.000 0.000 0.658 111 V HN 0.400 nan 8.190 nan 0.000 0.455 112 K N -0.230 120.170 120.400 -0.001 0.000 2.113 112 K HA -0.194 4.130 4.320 0.007 0.000 0.208 112 K C 2.219 178.819 176.600 -0.000 0.000 1.047 112 K CA 1.935 58.221 56.287 -0.001 0.000 0.928 112 K CB -0.464 32.035 32.500 -0.003 0.000 0.716 112 K HN 0.496 nan 8.250 nan 0.000 0.446 113 T N 1.900 116.456 114.554 0.002 0.000 2.746 113 T HA -0.144 4.211 4.350 0.007 0.000 0.267 113 T C 1.694 176.395 174.700 0.001 0.000 1.039 113 T CA 1.058 63.161 62.100 0.004 0.000 1.142 113 T CB -0.162 68.711 68.868 0.010 0.000 0.866 113 T HN 0.102 nan 8.240 nan 0.000 0.444 114 L N 1.178 122.398 121.223 -0.004 0.000 2.093 114 L HA 0.012 4.356 4.340 0.007 0.000 0.208 114 L C 2.344 179.204 176.870 -0.016 0.000 1.085 114 L CA 1.656 56.488 54.840 -0.014 0.000 0.755 114 L CB -0.795 41.249 42.059 -0.025 0.000 0.904 114 L HN 0.227 nan 8.230 nan 0.000 0.435 115 Q N -0.456 119.338 119.800 -0.011 0.000 2.170 115 Q HA -0.222 4.122 4.340 0.007 0.000 0.203 115 Q C 1.987 177.984 176.000 -0.005 0.000 0.976 115 Q CA 1.829 57.627 55.803 -0.008 0.000 0.858 115 Q CB -0.164 28.572 28.738 -0.003 0.000 0.907 115 Q HN 0.645 nan 8.270 nan 0.000 0.433 116 E N 0.547 120.746 120.200 -0.002 0.000 2.153 116 E HA -0.213 4.142 4.350 0.007 0.000 0.194 116 E C 1.802 178.401 176.600 -0.001 0.000 0.988 116 E CA 1.022 57.422 56.400 -0.000 0.000 0.811 116 E CB 0.066 29.767 29.700 0.002 0.000 0.746 116 E HN 0.053 nan 8.360 nan 0.000 0.466 117 K N 0.359 120.757 120.400 -0.004 0.000 2.128 117 K HA 0.089 4.413 4.320 0.007 0.000 0.202 117 K C 1.396 177.991 176.600 -0.009 0.000 1.050 117 K CA 1.091 57.375 56.287 -0.004 0.000 0.966 117 K CB 0.301 32.800 32.500 -0.001 0.000 0.759 117 K HN 0.044 nan 8.250 nan 0.000 0.454 118 A N -0.527 122.283 122.820 -0.017 0.000 2.470 118 A HA 0.474 4.798 4.320 0.007 0.000 0.251 118 A C -0.172 177.403 177.584 -0.016 0.000 1.245 118 A CA 0.190 52.214 52.037 -0.022 0.000 0.932 118 A CB 0.006 18.981 19.000 -0.043 0.000 1.037 118 A HN 0.220 nan 8.150 nan 0.000 0.522 119 S N -0.934 114.760 115.700 -0.010 0.000 3.683 119 S HA -0.152 4.322 4.470 0.007 0.000 0.636 119 S C 0.263 174.861 174.600 -0.003 0.000 2.235 119 S CA 0.866 59.064 58.200 -0.004 0.000 2.445 119 S CB -0.668 62.530 63.200 -0.002 0.000 0.330 119 S HN 0.596 nan 8.310 nan 0.000 1.763 120 K N 1.562 121.964 120.400 0.003 0.000 2.537 120 K HA 0.428 4.753 4.320 0.007 0.000 0.206 120 K C 1.046 177.652 176.600 0.010 0.000 1.041 120 K CA 0.545 56.836 56.287 0.007 0.000 1.090 120 K CB 0.680 33.189 32.500 0.015 0.000 0.833 120 K HN 1.136 nan 8.250 nan 0.000 0.493 121 G N 1.234 110.037 108.800 0.004 0.000 2.194 121 G HA2 -0.284 3.680 3.960 0.007 0.000 0.236 121 G HA3 -0.284 3.680 3.960 0.007 0.000 0.236 121 G C 0.309 175.215 174.900 0.009 0.000 0.987 121 G CA -0.129 44.974 45.100 0.005 0.000 0.635 121 G HN 0.443 nan 8.290 nan 0.000 0.520 122 A N 0.124 122.951 122.820 0.013 0.000 2.567 122 A HA 0.578 4.903 4.320 0.007 0.000 0.240 122 A C 2.151 179.739 177.584 0.007 0.000 1.053 122 A CA 2.270 54.316 52.037 0.016 0.000 0.755 122 A CB -0.223 18.788 19.000 0.018 0.000 0.978 122 A HN 2.435 nan 8.150 nan 0.000 0.507 123 G N 2.029 110.834 108.800 0.007 0.000 2.199 123 G HA2 -0.210 3.754 3.960 0.007 0.000 0.254 123 G HA3 -0.210 3.754 3.960 0.007 0.000 0.254 123 G C 0.484 175.370 174.900 -0.024 0.000 0.982 123 G CA 0.689 45.782 45.100 -0.011 0.000 0.632 123 G HN 1.214 nan 8.290 nan 0.000 0.529 124 T N 0.161 114.709 114.554 -0.010 0.000 2.943 124 T HA 0.651 5.005 4.350 0.007 0.000 0.284 124 T C -0.103 174.599 174.700 0.004 0.000 1.015 124 T CA -0.204 61.889 62.100 -0.012 0.000 1.042 124 T CB 2.613 71.475 68.868 -0.009 0.000 1.055 124 T HN 0.533 nan 8.240 nan 0.000 0.500 125 V N 2.425 122.344 119.914 0.009 0.000 2.604 125 V HA 0.732 4.856 4.120 0.007 0.000 0.305 125 V C -0.342 175.762 176.094 0.018 0.000 1.043 125 V CA -0.755 61.566 62.300 0.036 0.000 0.888 125 V CB 1.733 33.610 31.823 0.089 0.000 0.995 125 V HN 0.814 nan 8.190 nan 0.000 0.429 126 V N 1.406 121.324 119.914 0.008 0.000 2.962 126 V HA 1.066 5.191 4.120 0.007 0.000 0.313 126 V C -0.305 175.784 176.094 -0.009 0.000 1.099 126 V CA -0.799 61.500 62.300 -0.002 0.000 0.971 126 V CB 1.837 33.655 31.823 -0.009 0.000 1.028 126 V HN 1.196 nan 8.190 nan 0.000 0.430 127 A N 2.523 125.346 122.820 0.005 0.000 2.374 127 A HA 0.943 5.267 4.320 0.007 0.000 0.317 127 A C -0.929 176.677 177.584 0.037 0.000 1.094 127 A CA -0.774 51.272 52.037 0.015 0.000 0.765 127 A CB 2.051 21.076 19.000 0.042 0.000 1.268 127 A HN 1.475 nan 8.150 nan 0.000 0.438 128 V N 2.872 122.814 119.914 0.047 0.000 2.483 128 V HA 0.392 4.516 4.120 0.007 0.000 0.297 128 V C -0.660 175.595 176.094 0.268 0.000 1.027 128 V CA -0.125 62.265 62.300 0.150 0.000 0.855 128 V CB 1.462 33.391 31.823 0.177 0.000 0.995 128 V HN 0.736 nan 8.190 nan 0.000 0.424 129 I N 4.772 125.530 120.570 0.313 0.000 2.328 129 I HA 0.538 4.712 4.170 0.007 0.000 0.287 129 I C -0.208 176.169 176.117 0.433 0.000 1.012 129 I CA 0.198 61.714 61.300 0.361 0.000 1.195 129 I CB 1.154 39.332 38.000 0.296 0.000 1.350 129 I HN 0.629 nan 8.210 nan 0.000 0.464 130 D N 3.427 124.052 120.400 0.375 0.000 2.921 130 D HA 0.419 5.063 4.640 0.007 0.000 0.329 130 D C 0.246 176.483 176.300 -0.105 0.000 1.293 130 D CA -0.436 53.639 54.000 0.124 0.000 0.964 130 D CB 2.120 42.968 40.800 0.081 0.000 1.435 130 D HN 0.374 nan 8.370 nan 0.000 0.548 131 A N -0.587 122.112 122.820 -0.203 0.000 2.208 131 A HA 0.519 4.843 4.320 0.007 0.000 0.209 131 A C 0.829 178.284 177.584 -0.215 0.000 1.161 131 A CA 1.435 53.361 52.037 -0.186 0.000 0.782 131 A CB -0.114 18.788 19.000 -0.164 0.000 0.816 131 A HN 0.620 nan 8.150 nan 0.000 0.477 132 G N -2.022 106.462 108.800 -0.527 0.000 2.347 132 G HA2 0.450 4.414 3.960 0.007 0.000 0.303 132 G HA3 0.450 4.414 3.960 0.007 0.000 0.303 132 G C -1.259 173.181 174.900 -0.766 0.000 1.481 132 G CA -0.858 44.022 45.100 -0.367 0.000 0.914 132 G HN 0.329 nan 8.290 nan 0.000 0.638 133 F N -0.329 119.656 119.950 0.058 0.000 2.645 133 F HA 0.549 5.080 4.527 0.007 0.000 0.310 133 F C -0.767 175.048 175.800 0.026 0.000 1.102 133 F CA -1.077 56.957 58.000 0.056 0.000 0.952 133 F CB 2.308 41.321 39.000 0.022 0.000 1.326 133 F HN 0.430 nan 8.300 nan 0.000 0.456 134 D N 1.339 121.930 120.400 0.319 0.000 2.441 134 D HA 0.228 4.872 4.640 0.007 0.000 0.221 134 D C 0.308 176.827 176.300 0.364 0.000 1.156 134 D CA -0.182 53.959 54.000 0.234 0.000 0.896 134 D CB 0.982 41.905 40.800 0.206 0.000 1.028 134 D HN 0.517 nan 8.370 nan 0.000 0.509 135 K N 1.970 122.470 120.400 0.166 0.000 2.439 135 K HA 0.019 4.343 4.320 0.007 0.000 0.197 135 K C 0.769 177.525 176.600 0.260 0.000 1.041 135 K CA 0.671 57.028 56.287 0.117 0.000 0.970 135 K CB 0.153 32.550 32.500 -0.171 0.000 0.773 135 K HN 0.414 nan 8.250 nan 0.000 0.479 136 N N -0.521 118.298 118.700 0.198 0.000 2.236 136 N HA -0.016 4.728 4.740 0.007 0.000 0.196 136 N C -0.239 175.294 175.510 0.038 0.000 1.114 136 N CA -0.250 52.869 53.050 0.115 0.000 0.859 136 N CB 0.195 38.697 38.487 0.026 0.000 0.982 136 N HN 0.161 nan 8.380 nan 0.000 0.493 137 H N 1.945 120.938 119.070 -0.128 0.000 3.092 137 H HA -0.099 4.461 4.556 0.007 0.000 0.332 137 H C 1.403 176.454 175.328 -0.462 0.000 1.029 137 H CA 0.697 56.469 56.048 -0.459 0.000 1.376 137 H CB 0.759 29.981 29.762 -0.900 0.000 1.329 137 H HN 0.289 nan 8.280 nan 0.000 0.598 138 E N 3.209 123.167 120.200 -0.403 0.000 2.333 138 E HA -0.182 4.172 4.350 0.007 0.000 0.198 138 E C 1.693 178.257 176.600 -0.060 0.000 1.007 138 E CA 0.878 57.185 56.400 -0.155 0.000 0.845 138 E CB -0.024 29.601 29.700 -0.126 0.000 0.766 138 E HN 0.626 nan 8.360 nan 0.000 0.507 139 A N 1.263 124.030 122.820 -0.088 0.000 2.119 139 A HA -0.060 4.264 4.320 0.007 0.000 0.217 139 A C 0.494 178.025 177.584 -0.089 0.000 1.153 139 A CA 0.055 51.948 52.037 -0.240 0.000 0.692 139 A CB -0.775 17.828 19.000 -0.661 0.000 0.799 139 A HN 0.440 nan 8.150 nan 0.000 0.458 140 W N 1.826 123.175 121.300 0.081 0.000 2.247 140 W HA 0.465 5.129 4.660 0.007 0.000 0.394 140 W C 0.583 177.107 176.519 0.008 0.000 0.939 140 W CA -0.927 56.427 57.345 0.015 0.000 1.548 140 W CB 0.112 29.562 29.460 -0.017 0.000 1.610 140 W HN 0.334 nan 8.180 nan 0.000 0.336 141 R N 1.249 121.897 120.500 0.247 0.000 2.710 141 R HA 0.777 5.121 4.340 0.007 0.000 0.270 141 R C -1.683 174.688 176.300 0.118 0.000 1.021 141 R CA -1.178 55.009 56.100 0.145 0.000 0.889 141 R CB 1.478 31.841 30.300 0.105 0.000 1.243 141 R HN 0.263 nan 8.270 nan 0.000 0.464 142 L N 0.965 122.244 121.223 0.093 0.000 2.346 142 L HA 0.419 4.763 4.340 0.007 0.000 0.274 142 L C 0.691 177.602 176.870 0.069 0.000 1.007 142 L CA -0.916 53.971 54.840 0.079 0.000 0.818 142 L CB 2.433 44.540 42.059 0.079 0.000 1.284 142 L HN 0.843 nan 8.230 nan 0.000 0.424 143 T N -0.793 113.797 114.554 0.059 0.000 2.857 143 T HA -0.090 4.264 4.350 0.007 0.000 0.266 143 T C 0.219 174.949 174.700 0.049 0.000 1.048 143 T CA 1.252 63.382 62.100 0.050 0.000 1.139 143 T CB -0.077 68.816 68.868 0.042 0.000 0.874 143 T HN 0.488 nan 8.240 nan 0.000 0.455 144 D N 0.635 121.066 120.400 0.051 0.000 2.346 144 D HA 0.161 4.805 4.640 0.007 0.000 0.255 144 D C 0.961 177.297 176.300 0.061 0.000 1.276 144 D CA -0.324 53.706 54.000 0.050 0.000 0.941 144 D CB 0.997 41.821 40.800 0.039 0.000 1.199 144 D HN 0.029 nan 8.370 nan 0.000 0.537 145 K N 0.413 120.859 120.400 0.076 0.000 2.281 145 K HA -0.155 4.170 4.320 0.007 0.000 0.203 145 K C 1.689 178.342 176.600 0.088 0.000 1.046 145 K CA 1.689 58.035 56.287 0.100 0.000 0.938 145 K CB -1.769 30.811 32.500 0.132 0.000 0.737 145 K HN 0.534 nan 8.250 nan 0.000 0.458 146 T N -1.327 113.266 114.554 0.064 0.000 2.929 146 T HA -0.030 4.324 4.350 0.007 0.000 0.271 146 T C 1.702 176.426 174.700 0.040 0.000 1.085 146 T CA 1.292 63.422 62.100 0.049 0.000 1.125 146 T CB -0.432 68.457 68.868 0.036 0.000 0.874 146 T HN 0.605 nan 8.240 nan 0.000 0.494 147 K N 0.968 121.392 120.400 0.041 0.000 2.404 147 K HA 0.513 4.837 4.320 0.007 0.000 0.194 147 K C 0.885 177.502 176.600 0.028 0.000 1.023 147 K CA -0.049 56.255 56.287 0.028 0.000 1.094 147 K CB 0.300 32.814 32.500 0.024 0.000 0.841 147 K HN 0.482 nan 8.250 nan 0.000 0.523 148 A N 1.108 123.958 122.820 0.051 0.000 2.351 148 A HA 0.145 4.470 4.320 0.007 0.000 0.257 148 A C 1.111 178.704 177.584 0.015 0.000 1.087 148 A CA -0.245 51.828 52.037 0.059 0.000 0.798 148 A CB 0.684 19.761 19.000 0.129 0.000 1.033 148 A HN 0.180 nan 8.150 nan 0.000 0.488 149 R N 0.493 120.964 120.500 -0.048 0.000 2.081 149 R HA -0.082 4.262 4.340 0.007 0.000 0.235 149 R C -0.621 175.494 176.300 -0.308 0.000 1.131 149 R CA 1.640 57.598 56.100 -0.237 0.000 0.960 149 R CB -0.466 29.602 30.300 -0.387 0.000 0.856 149 R HN 0.701 nan 8.270 nan 0.000 0.436 150 Y N 0.603 120.989 120.300 0.143 0.000 2.388 150 Y HA 0.300 4.854 4.550 0.007 0.000 0.328 150 Y C 0.482 176.547 175.900 0.276 0.000 0.963 150 Y CA -0.728 57.499 58.100 0.211 0.000 1.240 150 Y CB 2.015 40.681 38.460 0.343 0.000 1.118 150 Y HN 0.065 nan 8.280 nan 0.000 0.484 151 Q N 1.782 121.732 119.800 0.251 0.000 2.360 151 Q HA 0.124 4.468 4.340 0.007 0.000 0.202 151 Q C -0.029 175.975 176.000 0.007 0.000 0.915 151 Q CA 0.158 56.067 55.803 0.177 0.000 0.943 151 Q CB 0.551 29.340 28.738 0.085 0.000 1.064 151 Q HN 0.706 nan 8.270 nan 0.000 0.511 152 S N -2.742 112.776 115.700 -0.303 0.000 2.627 152 S HA 0.120 4.594 4.470 0.007 0.000 0.268 152 S C 0.115 173.975 174.600 -1.234 0.000 1.130 152 S CA -0.644 57.026 58.200 -0.883 0.000 0.819 152 S CB 1.519 64.474 63.200 -0.409 0.000 1.100 152 S HN -0.167 nan 8.310 nan 0.000 0.465 153 K N 0.518 120.034 120.400 -1.474 0.000 2.103 153 K HA -0.109 4.215 4.320 0.007 0.000 0.207 153 K C 1.599 177.979 176.600 -0.366 0.000 1.048 153 K CA 2.573 58.325 56.287 -0.892 0.000 0.930 153 K CB -1.341 30.781 32.500 -0.630 0.000 0.716 153 K HN 0.716 nan 8.250 nan 0.000 0.444 154 E N 0.723 120.739 120.200 -0.307 0.000 2.106 154 E HA -0.080 4.274 4.350 0.007 0.000 0.192 154 E C 2.020 178.574 176.600 -0.076 0.000 0.984 154 E CA 1.632 57.943 56.400 -0.149 0.000 0.806 154 E CB -0.273 29.354 29.700 -0.122 0.000 0.750 154 E HN 0.507 nan 8.360 nan 0.000 0.458 155 D N 0.098 120.461 120.400 -0.061 0.000 2.117 155 D HA -0.132 4.512 4.640 0.007 0.000 0.197 155 D C 1.810 178.226 176.300 0.193 0.000 0.987 155 D CA 0.509 54.569 54.000 0.100 0.000 0.829 155 D CB -0.147 40.764 40.800 0.184 0.000 0.961 155 D HN 0.095 nan 8.370 nan 0.000 0.460 156 L N 1.228 122.484 121.223 0.055 0.000 2.005 156 L HA -0.133 4.211 4.340 0.007 0.000 0.207 156 L C 1.855 178.693 176.870 -0.054 0.000 1.072 156 L CA 1.775 56.534 54.840 -0.134 0.000 0.744 156 L CB -0.503 41.521 42.059 -0.058 0.000 0.895 156 L HN -0.056 nan 8.230 nan 0.000 0.433 157 E N 0.099 120.282 120.200 -0.029 0.000 2.160 157 E HA -0.220 4.135 4.350 0.007 0.000 0.195 157 E C 2.161 178.753 176.600 -0.012 0.000 0.991 157 E CA 1.228 57.616 56.400 -0.021 0.000 0.810 157 E CB -0.244 29.439 29.700 -0.029 0.000 0.742 157 E HN 0.337 nan 8.360 nan 0.000 0.466 158 K N 0.583 120.989 120.400 0.009 0.000 2.057 158 K HA -0.045 4.279 4.320 0.007 0.000 0.207 158 K C 2.166 178.787 176.600 0.035 0.000 1.049 158 K CA 1.116 57.414 56.287 0.018 0.000 0.931 158 K CB -0.536 31.985 32.500 0.034 0.000 0.714 158 K HN 0.262 nan 8.250 nan 0.000 0.440 159 A N 0.717 123.596 122.820 0.099 0.000 1.898 159 A HA -0.101 4.223 4.320 0.007 0.000 0.216 159 A C 2.260 179.902 177.584 0.096 0.000 1.181 159 A CA 1.995 54.125 52.037 0.155 0.000 0.620 159 A CB -0.509 18.676 19.000 0.308 0.000 0.819 159 A HN 0.595 nan 8.150 nan 0.000 0.442 160 K N -0.358 120.044 120.400 0.002 0.000 2.063 160 K HA -0.191 4.133 4.320 0.007 0.000 0.208 160 K C 2.221 178.792 176.600 -0.048 0.000 1.048 160 K CA 1.805 58.060 56.287 -0.054 0.000 0.928 160 K CB -0.151 32.297 32.500 -0.087 0.000 0.713 160 K HN 0.520 nan 8.250 nan 0.000 0.442 161 K N 1.477 121.850 120.400 -0.047 0.000 2.057 161 K HA -0.222 4.103 4.320 0.007 0.000 0.207 161 K C 2.043 178.587 176.600 -0.092 0.000 1.049 161 K CA 1.670 57.921 56.287 -0.060 0.000 0.931 161 K CB 0.009 32.481 32.500 -0.047 0.000 0.714 161 K HN 0.112 nan 8.250 nan 0.000 0.440 162 E N -0.369 119.755 120.200 -0.128 0.000 2.130 162 E HA -0.227 4.128 4.350 0.007 0.000 0.196 162 E C 0.995 177.328 176.600 -0.445 0.000 0.998 162 E CA 1.251 57.484 56.400 -0.279 0.000 0.806 162 E CB 0.066 29.560 29.700 -0.344 0.000 0.738 162 E HN 0.499 nan 8.360 nan 0.000 0.459 163 H N -1.647 117.400 119.070 -0.038 0.000 2.520 163 H HA 0.194 4.754 4.556 0.007 0.000 0.284 163 H C 0.987 176.276 175.328 -0.064 0.000 1.037 163 H CA 0.616 56.638 56.048 -0.043 0.000 1.168 163 H CB 1.006 30.742 29.762 -0.044 0.000 1.497 163 H HN 0.360 nan 8.280 nan 0.000 0.547 164 G N 1.855 110.638 108.800 -0.027 0.000 2.225 164 G HA2 -0.293 3.672 3.960 0.007 0.000 0.267 164 G HA3 -0.293 3.672 3.960 0.007 0.000 0.267 164 G C 0.226 175.076 174.900 -0.082 0.000 1.024 164 G CA 0.105 45.180 45.100 -0.041 0.000 0.784 164 G HN 0.389 nan 8.290 nan 0.000 0.507 165 I N 1.500 121.982 120.570 -0.146 0.000 2.337 165 I HA 0.313 4.487 4.170 0.007 0.000 0.291 165 I C 1.385 177.269 176.117 -0.387 0.000 1.046 165 I CA 0.503 61.575 61.300 -0.381 0.000 1.324 165 I CB 1.241 38.977 38.000 -0.439 0.000 1.409 165 I HN 0.222 nan 8.210 nan 0.000 0.494 166 T N 2.598 116.897 114.554 -0.425 0.000 3.269 166 T HA 0.335 4.689 4.350 0.007 0.000 0.269 166 T C -0.392 174.251 174.700 -0.095 0.000 0.993 166 T CA -0.411 61.582 62.100 -0.178 0.000 0.909 166 T CB -0.488 68.366 68.868 -0.023 0.000 1.115 166 T HN 0.505 nan 8.240 nan 0.000 0.543 167 Y N -2.392 117.855 120.300 -0.089 0.000 2.670 167 Y HA 0.745 5.299 4.550 0.007 0.000 0.334 167 Y C 0.140 175.939 175.900 -0.169 0.000 1.185 167 Y CA -1.277 56.718 58.100 -0.175 0.000 1.053 167 Y CB 0.667 38.907 38.460 -0.366 0.000 1.298 167 Y HN 0.494 nan 8.280 nan 0.000 0.459 168 G N 0.858 109.674 108.800 0.026 0.000 2.712 168 G HA2 0.322 4.286 3.960 0.007 0.000 0.686 168 G HA3 0.322 4.286 3.960 0.007 0.000 0.686 168 G C -1.295 173.524 174.900 -0.134 0.000 1.321 168 G CA -0.344 44.618 45.100 -0.231 0.000 0.813 168 G HN 1.408 nan 8.290 nan 0.000 0.599 169 E N -0.434 119.614 120.200 -0.254 0.000 2.412 169 E HA 0.533 4.887 4.350 0.007 0.000 0.279 169 E C -0.248 176.402 176.600 0.084 0.000 0.984 169 E CA -1.339 55.071 56.400 0.015 0.000 0.788 169 E CB 1.435 31.175 29.700 0.067 0.000 1.277 169 E HN 1.052 nan 8.360 nan 0.000 0.455 170 W N 3.298 124.597 121.300 -0.001 0.000 2.190 170 W HA 0.263 4.927 4.660 0.007 0.000 0.330 170 W C -0.698 175.824 176.519 0.005 0.000 1.299 170 W CA -0.257 57.092 57.345 0.007 0.000 1.215 170 W CB 1.219 30.683 29.460 0.006 0.000 1.147 170 W HN 0.476 nan 8.180 nan 0.000 0.563 171 V N 4.325 123.980 119.914 -0.430 0.000 2.721 171 V HA 0.050 4.174 4.120 0.007 0.000 0.236 171 V C -0.137 175.712 176.094 -0.408 0.000 1.116 171 V CA 1.499 63.625 62.300 -0.290 0.000 1.148 171 V CB -0.053 31.617 31.823 -0.256 0.000 0.886 171 V HN 0.710 nan 8.190 nan 0.000 0.490 172 N N -2.100 116.129 118.700 -0.785 0.000 3.277 172 N HA 0.191 4.935 4.740 0.007 0.000 0.278 172 N C -0.204 174.845 175.510 -0.768 0.000 1.544 172 N CA -0.340 52.425 53.050 -0.474 0.000 0.869 172 N CB 0.123 38.530 38.487 -0.133 0.000 1.584 172 N HN -0.197 nan 8.380 nan 0.000 0.564 173 D N -0.551 119.736 120.400 -0.187 0.000 2.190 173 D HA -0.174 4.470 4.640 0.007 0.000 0.200 173 D C 1.177 177.372 176.300 -0.175 0.000 0.992 173 D CA 1.578 55.539 54.000 -0.065 0.000 0.854 173 D CB 0.083 40.974 40.800 0.152 0.000 0.936 173 D HN 0.534 nan 8.370 nan 0.000 0.462 174 K N 0.510 120.816 120.400 -0.158 0.000 2.044 174 K HA 0.006 4.331 4.320 0.007 0.000 0.204 174 K C 0.392 176.837 176.600 -0.259 0.000 1.045 174 K CA 0.425 56.645 56.287 -0.112 0.000 0.951 174 K CB 0.115 32.636 32.500 0.033 0.000 0.738 174 K HN -0.141 nan 8.250 nan 0.000 0.443 175 V N 2.530 122.218 119.914 -0.377 0.000 2.267 175 V HA 0.259 4.383 4.120 0.007 0.000 0.254 175 V C 0.879 176.650 176.094 -0.539 0.000 1.144 175 V CA 0.171 62.211 62.300 -0.433 0.000 0.992 175 V CB 0.051 31.607 31.823 -0.445 0.000 1.199 175 V HN 0.396 nan 8.190 nan 0.000 0.493 176 A N 4.013 126.595 122.820 -0.396 0.000 2.066 176 A HA 0.031 4.356 4.320 0.007 0.000 0.218 176 A C 0.589 178.152 177.584 -0.036 0.000 1.157 176 A CA 1.113 52.951 52.037 -0.331 0.000 0.670 176 A CB -0.045 18.959 19.000 0.007 0.000 0.804 176 A HN 0.737 nan 8.150 nan 0.000 0.453 177 Y N -2.371 117.820 120.300 -0.182 0.000 2.480 177 Y HA 0.493 5.047 4.550 0.007 0.000 0.329 177 Y C -1.847 174.051 175.900 -0.005 0.000 1.127 177 Y CA -1.519 56.538 58.100 -0.071 0.000 1.037 177 Y CB 1.152 39.566 38.460 -0.077 0.000 1.320 177 Y HN 0.149 nan 8.280 nan 0.000 0.446 178 Y N 6.172 126.102 120.300 -0.617 0.000 2.433 178 Y HA 0.581 5.135 4.550 0.007 0.000 0.337 178 Y C -1.788 173.785 175.900 -0.545 0.000 1.026 178 Y CA -0.743 57.081 58.100 -0.460 0.000 1.037 178 Y CB 1.184 39.470 38.460 -0.290 0.000 1.245 178 Y HN 0.806 nan 8.280 nan 0.000 0.443 179 H N 4.682 122.983 119.070 -1.282 0.000 2.954 179 H HA 0.241 4.801 4.556 0.007 0.000 0.361 179 H C -1.879 172.865 175.328 -0.974 0.000 1.122 179 H CA -0.705 54.706 56.048 -1.062 0.000 1.217 179 H CB 2.093 31.429 29.762 -0.709 0.000 1.776 179 H HN 0.759 nan 8.280 nan 0.000 0.533 180 D N 3.965 123.537 120.400 -1.379 0.000 2.373 180 D HA 0.064 4.708 4.640 0.007 0.000 0.227 180 D C -0.314 175.440 176.300 -0.910 0.000 1.091 180 D CA -0.196 53.347 54.000 -0.762 0.000 0.840 180 D CB 0.345 40.909 40.800 -0.393 0.000 1.060 180 D HN 0.485 nan 8.370 nan 0.000 0.502 181 Y N 1.295 121.352 120.300 -0.404 0.000 2.471 181 Y HA 0.147 4.701 4.550 0.007 0.000 0.286 181 Y C 1.065 176.887 175.900 -0.129 0.000 1.188 181 Y CA -0.049 57.920 58.100 -0.218 0.000 1.286 181 Y CB 0.597 39.029 38.460 -0.046 0.000 1.072 181 Y HN 0.218 nan 8.280 nan 0.000 0.517 182 S N -0.912 114.774 115.700 -0.023 0.000 2.794 182 S HA 0.146 4.620 4.470 0.007 0.000 0.244 182 S C 1.078 175.654 174.600 -0.040 0.000 1.045 182 S CA -0.541 57.661 58.200 0.002 0.000 1.114 182 S CB 0.184 63.414 63.200 0.049 0.000 1.085 182 S HN 0.293 nan 8.310 nan 0.000 0.488 183 K N 1.434 121.782 120.400 -0.088 0.000 2.209 183 K HA -0.096 4.228 4.320 0.007 0.000 0.204 183 K C 1.975 178.549 176.600 -0.043 0.000 1.048 183 K CA 1.474 57.717 56.287 -0.075 0.000 0.940 183 K CB -0.332 32.107 32.500 -0.102 0.000 0.729 183 K HN 0.629 nan 8.250 nan 0.000 0.451 184 D N 1.501 121.878 120.400 -0.037 0.000 2.354 184 D HA -0.048 4.596 4.640 0.007 0.000 0.216 184 D C 0.980 177.267 176.300 -0.022 0.000 0.970 184 D CA 0.875 54.859 54.000 -0.026 0.000 0.905 184 D CB -0.535 nan 40.800 nan 0.000 0.903 184 D HN 0.338 nan 8.370 nan 0.000 0.508 185 G N -1.246 107.540 108.800 -0.022 0.000 2.343 185 G HA2 0.417 4.381 3.960 0.007 0.000 0.254 185 G HA3 0.417 4.381 3.960 0.007 0.000 0.254 185 G C 1.254 176.141 174.900 -0.021 0.000 1.277 185 G CA 0.603 45.690 45.100 -0.023 0.000 0.909 185 G HN 0.672 nan 8.290 nan 0.000 0.502 186 K N 1.812 122.199 120.400 -0.021 0.000 2.103 186 K HA 0.088 4.412 4.320 0.007 0.000 0.204 186 K C 1.692 178.280 176.600 -0.019 0.000 1.052 186 K CA 1.375 57.651 56.287 -0.019 0.000 0.945 186 K CB -0.763 nan 32.500 nan 0.000 0.722 186 K HN 0.753 nan 8.250 nan 0.000 0.443 187 T N 0.078 114.618 114.554 -0.023 0.000 2.795 187 T HA 0.448 4.802 4.350 0.007 0.000 0.314 187 T C 0.642 175.329 174.700 -0.021 0.000 1.069 187 T CA 0.060 62.146 62.100 -0.024 0.000 1.071 187 T CB 0.330 69.178 68.868 -0.032 0.000 0.988 187 T HN 0.679 nan 8.240 nan 0.000 0.543 188 A N 2.676 125.484 122.820 -0.020 0.000 2.327 188 A HA 0.529 4.853 4.320 0.007 0.000 0.255 188 A C -0.001 177.572 177.584 -0.017 0.000 1.099 188 A CA -0.585 51.443 52.037 -0.016 0.000 0.801 188 A CB 0.245 19.236 19.000 -0.015 0.000 1.062 188 A HN 0.766 nan 8.150 nan 0.000 0.496 189 V N 1.695 121.604 119.914 -0.009 0.000 2.383 189 V HA 0.205 4.329 4.120 0.007 0.000 0.275 189 V C -0.102 175.980 176.094 -0.019 0.000 1.036 189 V CA -0.215 62.081 62.300 -0.007 0.000 0.889 189 V CB 1.080 32.916 31.823 0.021 0.000 0.985 189 V HN 0.960 nan 8.190 nan 0.000 0.459 190 D N 3.587 123.964 120.400 -0.038 0.000 2.277 190 D HA 0.262 4.906 4.640 0.007 0.000 0.249 190 D C 0.689 176.957 176.300 -0.053 0.000 1.134 190 D CA -0.035 53.941 54.000 -0.041 0.000 0.863 190 D CB 1.433 42.202 40.800 -0.051 0.000 1.143 190 D HN 0.564 nan 8.370 nan 0.000 0.458 191 Q N 2.241 122.024 119.800 -0.029 0.000 2.317 191 Q HA 0.026 4.370 4.340 0.007 0.000 0.220 191 Q C 1.212 177.210 176.000 -0.003 0.000 0.873 191 Q CA -0.081 55.708 55.803 -0.023 0.000 0.936 191 Q CB 0.590 29.345 28.738 0.028 0.000 1.105 191 Q HN 0.693 nan 8.270 nan 0.000 0.520 192 E N 1.210 121.414 120.200 0.008 0.000 2.017 192 E HA -0.271 4.083 4.350 0.007 0.000 0.193 192 E C 1.938 178.568 176.600 0.049 0.000 0.997 192 E CA 1.107 57.525 56.400 0.030 0.000 0.804 192 E CB -0.057 29.653 29.700 0.016 0.000 0.757 192 E HN 0.372 nan 8.360 nan 0.000 0.448 193 H N -0.404 118.630 119.070 -0.059 0.000 2.289 193 H HA -0.121 4.439 4.556 0.007 0.000 0.296 193 H C 2.010 177.324 175.328 -0.024 0.000 1.091 193 H CA 2.049 58.067 56.048 -0.050 0.000 1.274 193 H CB -0.444 29.271 29.762 -0.078 0.000 1.364 193 H HN 0.364 nan 8.280 nan 0.000 0.490 194 G N -0.760 108.000 108.800 -0.067 0.000 2.422 194 G HA2 -0.247 3.717 3.960 0.007 0.000 0.218 194 G HA3 -0.247 3.717 3.960 0.007 0.000 0.218 194 G C 1.784 176.762 174.900 0.130 0.000 1.146 194 G CA 1.314 46.263 45.100 -0.252 0.000 0.769 194 G HN 0.430 nan 8.290 nan 0.000 0.547 195 T N -0.381 114.271 114.554 0.163 0.000 2.777 195 T HA -0.094 4.260 4.350 0.007 0.000 0.266 195 T C 2.017 176.843 174.700 0.209 0.000 1.040 195 T CA 1.162 63.458 62.100 0.327 0.000 1.141 195 T CB -0.347 68.640 68.868 0.199 0.000 0.868 195 T HN 0.386 nan 8.240 nan 0.000 0.444 196 H N 0.709 119.778 119.070 -0.001 0.000 2.326 196 H HA -0.006 4.554 4.556 0.007 0.000 0.301 196 H C 2.293 177.606 175.328 -0.025 0.000 1.081 196 H CA 1.351 57.367 56.048 -0.055 0.000 1.334 196 H CB -0.309 29.382 29.762 -0.118 0.000 1.385 196 H HN 0.142 nan 8.280 nan 0.000 0.504 197 V N 0.440 120.404 119.914 0.084 0.000 2.295 197 V HA -0.236 3.889 4.120 0.007 0.000 0.246 197 V C 2.694 178.855 176.094 0.112 0.000 1.049 197 V CA 1.941 64.277 62.300 0.061 0.000 1.024 197 V CB -0.643 31.196 31.823 0.027 0.000 0.648 197 V HN 0.388 nan 8.190 nan 0.000 0.447 198 S N 0.431 116.249 115.700 0.197 0.000 2.382 198 S HA -0.127 4.348 4.470 0.007 0.000 0.228 198 S C 2.047 176.812 174.600 0.275 0.000 1.027 198 S CA 1.277 59.590 58.200 0.188 0.000 0.991 198 S CB -0.637 62.649 63.200 0.144 0.000 0.823 198 S HN 0.710 nan 8.310 nan 0.000 0.469 199 G N 1.603 110.588 108.800 0.307 0.000 2.418 199 G HA2 -0.133 3.831 3.960 0.007 0.000 0.217 199 G HA3 -0.133 3.831 3.960 0.007 0.000 0.217 199 G C 1.317 176.257 174.900 0.065 0.000 1.158 199 G CA 0.586 45.789 45.100 0.172 0.000 0.771 199 G HN 0.499 nan 8.290 nan 0.000 0.545 200 I N -0.059 120.512 120.570 0.002 0.000 2.286 200 I HA -0.095 4.079 4.170 0.007 0.000 0.248 200 I C 2.502 178.638 176.117 0.032 0.000 1.115 200 I CA 0.502 61.799 61.300 -0.004 0.000 1.392 200 I CB -0.085 37.907 38.000 -0.013 0.000 1.065 200 I HN 0.180 nan 8.210 nan 0.000 0.418 201 L N -0.737 120.518 121.223 0.053 0.000 2.095 201 L HA -0.019 4.326 4.340 0.007 0.000 0.204 201 L C 1.836 178.740 176.870 0.056 0.000 1.080 201 L CA 1.799 56.666 54.840 0.045 0.000 0.759 201 L CB 0.005 42.088 42.059 0.039 0.000 0.914 201 L HN 0.068 nan 8.230 nan 0.000 0.439 202 S N -0.981 114.780 115.700 0.101 0.000 3.101 202 S HA 0.387 4.861 4.470 0.007 0.000 0.252 202 S C 0.604 175.349 174.600 0.243 0.000 0.920 202 S CA -0.098 58.174 58.200 0.120 0.000 1.158 202 S CB -0.565 62.665 63.200 0.050 0.000 1.125 202 S HN 0.499 nan 8.310 nan 0.000 0.608 203 G N 1.725 110.681 108.800 0.260 0.000 2.491 203 G HA2 0.298 4.262 3.960 0.007 0.000 0.238 203 G HA3 0.298 4.262 3.960 0.007 0.000 0.238 203 G C -0.040 174.949 174.900 0.147 0.000 1.277 203 G CA -0.075 45.164 45.100 0.232 0.000 0.851 203 G HN 0.380 nan 8.290 nan 0.000 0.573 204 N N -0.209 118.566 118.700 0.125 0.000 2.639 204 N HA 0.311 5.055 4.740 0.007 0.000 0.265 204 N C 0.279 175.834 175.510 0.075 0.000 1.689 204 N CA -0.111 52.998 53.050 0.098 0.000 0.813 204 N CB 0.459 39.017 38.487 0.117 0.000 1.353 204 N HN 0.727 nan 8.380 nan 0.000 0.510 205 A N 1.661 124.521 122.820 0.067 0.000 2.531 205 A HA 0.349 4.673 4.320 0.007 0.000 0.236 205 A C -2.048 175.564 177.584 0.047 0.000 1.062 205 A CA -0.359 51.722 52.037 0.075 0.000 0.760 205 A CB -0.201 18.864 19.000 0.109 0.000 0.995 205 A HN 0.387 nan 8.150 nan 0.000 0.501 206 P HA 0.238 nan 4.420 nan 0.000 0.278 206 P C 0.456 177.763 177.300 0.012 0.000 1.266 206 P CA -0.414 62.702 63.100 0.027 0.000 0.807 206 P CB 1.278 32.992 31.700 0.024 0.000 1.094 207 S N -0.141 115.564 115.700 0.008 0.000 2.469 207 S HA -0.119 4.355 4.470 0.007 0.000 0.238 207 S C 1.935 176.527 174.600 -0.013 0.000 0.998 207 S CA 1.646 59.844 58.200 -0.003 0.000 0.957 207 S CB -0.857 62.344 63.200 0.001 0.000 0.764 207 S HN 0.763 nan 8.310 nan 0.000 0.514 208 E N 1.194 121.390 120.200 -0.007 0.000 2.516 208 E HA 0.026 4.380 4.350 0.007 0.000 0.199 208 E C 0.879 177.470 176.600 -0.016 0.000 1.069 208 E CA 0.632 57.026 56.400 -0.011 0.000 0.876 208 E CB -0.805 28.891 29.700 -0.005 0.000 0.843 208 E HN 0.399 nan 8.360 nan 0.000 0.530 209 T N -0.299 114.244 114.554 -0.017 0.000 2.903 209 T HA 0.081 4.435 4.350 0.007 0.000 0.314 209 T C 1.164 175.838 174.700 -0.044 0.000 1.078 209 T CA 0.420 62.509 62.100 -0.019 0.000 1.114 209 T CB 0.599 69.442 68.868 -0.043 0.000 0.987 209 T HN 0.342 nan 8.240 nan 0.000 0.548 210 K N 1.545 121.926 120.400 -0.030 0.000 2.296 210 K HA 0.066 4.390 4.320 0.007 0.000 0.200 210 K C 0.801 177.350 176.600 -0.085 0.000 1.048 210 K CA 0.339 56.602 56.287 -0.041 0.000 0.966 210 K CB 0.186 32.681 32.500 -0.009 0.000 0.754 210 K HN 0.573 nan 8.250 nan 0.000 0.466 211 E N 1.207 121.319 120.200 -0.147 0.000 2.418 211 E HA -0.035 4.320 4.350 0.007 0.000 0.261 211 E C -1.654 174.817 176.600 -0.215 0.000 1.070 211 E CA -1.258 55.011 56.400 -0.218 0.000 0.931 211 E CB 0.444 29.886 29.700 -0.430 0.000 0.954 211 E HN 0.016 nan 8.360 nan 0.000 0.439 212 P HA -0.107 nan 4.420 nan 0.000 0.219 212 P C -0.194 176.737 177.300 -0.614 0.000 1.150 212 P CA 1.329 64.162 63.100 -0.445 0.000 0.814 212 P CB 0.261 31.658 31.700 -0.506 0.000 0.787 213 Y N -0.651 119.586 120.300 -0.105 0.000 2.425 213 Y HA 0.425 4.979 4.550 0.007 0.000 0.344 213 Y C 0.911 176.724 175.900 -0.146 0.000 0.969 213 Y CA -1.311 56.730 58.100 -0.098 0.000 1.052 213 Y CB 1.724 40.141 38.460 -0.072 0.000 1.215 213 Y HN -0.362 nan 8.280 nan 0.000 0.451 214 R N 2.215 122.751 120.500 0.059 0.000 2.489 214 R HA 0.192 4.536 4.340 0.007 0.000 0.287 214 R C -0.839 175.451 176.300 -0.016 0.000 1.053 214 R CA -0.571 55.518 56.100 -0.018 0.000 1.036 214 R CB 0.442 30.751 30.300 0.014 0.000 0.966 214 R HN 0.455 nan 8.270 nan 0.000 0.432 215 L N 2.724 123.921 121.223 -0.043 0.000 2.325 215 L HA 0.133 4.478 4.340 0.007 0.000 0.284 215 L C -0.379 176.511 176.870 0.033 0.000 1.089 215 L CA 0.691 55.537 54.840 0.010 0.000 0.836 215 L CB 0.502 42.619 42.059 0.097 0.000 1.184 215 L HN 0.600 nan 8.230 nan 0.000 0.444 216 E N 4.065 124.280 120.200 0.025 0.000 2.235 216 E HA 0.471 4.826 4.350 0.007 0.000 0.252 216 E C 0.028 176.646 176.600 0.031 0.000 0.886 216 E CA -0.604 55.816 56.400 0.034 0.000 0.767 216 E CB 0.933 30.649 29.700 0.027 0.000 1.205 216 E HN 0.867 nan 8.360 nan 0.000 0.421 217 G N 2.027 110.856 108.800 0.048 0.000 2.631 217 G HA2 0.200 4.165 3.960 0.007 0.000 0.271 217 G HA3 0.200 4.165 3.960 0.007 0.000 0.271 217 G C 0.930 175.849 174.900 0.031 0.000 1.302 217 G CA 0.263 45.389 45.100 0.043 0.000 1.002 217 G HN 0.633 nan 8.290 nan 0.000 0.519 218 A N -0.673 122.161 122.820 0.024 0.000 1.933 218 A HA 0.072 4.396 4.320 0.007 0.000 0.218 218 A C 1.631 179.224 177.584 0.014 0.000 1.175 218 A CA 1.233 53.278 52.037 0.014 0.000 0.628 218 A CB -0.191 18.814 19.000 0.008 0.000 0.814 218 A HN 0.483 nan 8.150 nan 0.000 0.444 219 M N 0.062 119.675 119.600 0.022 0.000 2.746 219 M HA 0.197 4.682 4.480 0.007 0.000 0.209 219 M C -2.093 174.229 176.300 0.037 0.000 1.077 219 M CA -1.432 53.880 55.300 0.020 0.000 0.695 219 M CB 1.775 34.381 32.600 0.010 0.000 1.416 219 M HN 0.091 nan 8.290 nan 0.000 0.459 220 P HA -0.148 nan 4.420 nan 0.000 0.222 220 P C 0.437 177.777 177.300 0.067 0.000 1.147 220 P CA 1.446 64.587 63.100 0.068 0.000 0.790 220 P CB 0.296 32.031 31.700 0.060 0.000 0.780 221 E N -0.759 119.469 120.200 0.047 0.000 2.476 221 E HA 0.264 4.618 4.350 0.007 0.000 0.196 221 E C 0.917 177.539 176.600 0.038 0.000 1.029 221 E CA -0.296 56.131 56.400 0.045 0.000 0.896 221 E CB 0.241 29.963 29.700 0.036 0.000 1.012 221 E HN 0.199 nan 8.360 nan 0.000 0.475 222 A N 0.878 123.717 122.820 0.031 0.000 2.286 222 A HA 0.359 4.683 4.320 0.007 0.000 0.286 222 A C 0.276 177.870 177.584 0.016 0.000 1.097 222 A CA -0.341 51.708 52.037 0.021 0.000 0.821 222 A CB 0.686 19.692 19.000 0.010 0.000 1.076 222 A HN -0.003 nan 8.150 nan 0.000 0.490 223 Q N -0.393 119.419 119.800 0.019 0.000 2.221 223 Q HA 0.601 4.946 4.340 0.007 0.000 0.242 223 Q C -1.161 174.815 176.000 -0.041 0.000 0.940 223 Q CA -0.270 55.533 55.803 0.000 0.000 0.896 223 Q CB 1.432 30.212 28.738 0.069 0.000 1.226 223 Q HN 0.645 nan 8.270 nan 0.000 0.463 224 L N 1.922 123.070 121.223 -0.126 0.000 2.334 224 L HA 0.493 4.838 4.340 0.007 0.000 0.276 224 L C -0.955 175.828 176.870 -0.144 0.000 1.014 224 L CA -0.630 54.100 54.840 -0.182 0.000 0.815 224 L CB 1.237 43.066 42.059 -0.382 0.000 1.268 224 L HN 0.368 nan 8.230 nan 0.000 0.428 225 L N 4.700 125.874 121.223 -0.081 0.000 2.294 225 L HA 0.502 4.846 4.340 0.007 0.000 0.283 225 L C -0.813 176.022 176.870 -0.059 0.000 1.015 225 L CA -0.396 54.460 54.840 0.027 0.000 0.831 225 L CB 1.302 43.416 42.059 0.093 0.000 1.217 225 L HN 0.416 nan 8.230 nan 0.000 0.420 226 L N 4.764 125.902 121.223 -0.142 0.000 2.287 226 L HA 0.553 4.897 4.340 0.007 0.000 0.287 226 L C -0.382 176.448 176.870 -0.067 0.000 1.022 226 L CA -0.216 54.377 54.840 -0.412 0.000 0.814 226 L CB 1.581 43.070 42.059 -0.950 0.000 1.217 226 L HN 0.630 nan 8.230 nan 0.000 0.420 227 M N 4.290 123.956 119.600 0.109 0.000 2.134 227 M HA 0.421 4.905 4.480 0.007 0.000 0.310 227 M C -0.386 176.202 176.300 0.482 0.000 0.966 227 M CA -0.302 55.196 55.300 0.329 0.000 0.922 227 M CB 2.226 35.032 32.600 0.343 0.000 1.537 227 M HN 0.442 nan 8.290 nan 0.000 0.424 228 R N 3.277 124.027 120.500 0.418 0.000 2.297 228 R HA 0.734 5.078 4.340 0.007 0.000 0.308 228 R C -1.295 175.134 176.300 0.214 0.000 1.029 228 R CA -0.502 55.813 56.100 0.358 0.000 0.929 228 R CB 0.909 31.401 30.300 0.320 0.000 1.046 228 R HN 0.646 nan 8.270 nan 0.000 0.461 229 V N 0.332 120.308 119.914 0.103 0.000 2.888 229 V HA 0.694 4.818 4.120 0.007 0.000 0.309 229 V C -1.216 174.937 176.094 0.098 0.000 1.114 229 V CA -0.818 61.531 62.300 0.082 0.000 0.940 229 V CB 1.817 33.615 31.823 -0.043 0.000 1.021 229 V HN 1.004 nan 8.190 nan 0.000 0.426 230 E N 2.870 123.186 120.200 0.193 0.000 2.392 230 E HA 0.572 4.926 4.350 0.007 0.000 0.279 230 E C -1.480 175.096 176.600 -0.041 0.000 0.964 230 E CA -1.029 55.407 56.400 0.061 0.000 0.777 230 E CB 2.510 32.190 29.700 -0.034 0.000 1.249 230 E HN 0.868 nan 8.360 nan 0.000 0.449 231 I N 4.211 124.511 120.570 -0.450 0.000 2.517 231 I HA 0.059 4.234 4.170 0.007 0.000 0.285 231 I C 1.028 177.042 176.117 -0.172 0.000 1.106 231 I CA 0.089 61.129 61.300 -0.434 0.000 1.402 231 I CB 0.762 38.415 38.000 -0.577 0.000 1.399 231 I HN 0.531 nan 8.210 nan 0.000 0.535 232 V N 0.584 120.451 119.914 -0.079 0.000 3.497 232 V HA 0.315 4.440 4.120 0.007 0.000 0.272 232 V C 0.569 176.640 176.094 -0.038 0.000 1.474 232 V CA 0.710 62.980 62.300 -0.050 0.000 1.025 232 V CB -0.741 31.068 31.823 -0.024 0.000 0.820 232 V HN 0.771 nan 8.190 nan 0.000 0.437 233 N N 0.470 119.153 118.700 -0.030 0.000 2.562 233 N HA 0.717 5.461 4.740 0.007 0.000 0.176 233 N C 0.908 176.406 175.510 -0.020 0.000 1.694 233 N CA 0.056 53.094 53.050 -0.019 0.000 1.152 233 N CB -0.350 38.134 38.487 -0.005 0.000 1.865 233 N HN 0.733 nan 8.380 nan 0.000 0.301 234 G N -0.712 108.088 108.800 -0.001 0.000 2.557 234 G HA2 0.502 4.466 3.960 0.007 0.000 0.292 234 G HA3 0.502 4.466 3.960 0.007 0.000 0.292 234 G C 0.608 175.532 174.900 0.039 0.000 1.237 234 G CA -0.229 44.876 45.100 0.008 0.000 0.978 234 G HN 0.544 nan 8.290 nan 0.000 0.498 235 L N 0.106 121.363 121.223 0.056 0.000 2.179 235 L HA 0.033 4.378 4.340 0.007 0.000 0.208 235 L C 3.146 180.091 176.870 0.124 0.000 1.096 235 L CA 1.206 56.124 54.840 0.130 0.000 0.779 235 L CB -0.150 41.984 42.059 0.125 0.000 0.922 235 L HN 0.619 nan 8.230 nan 0.000 0.443 236 A N -0.662 122.188 122.820 0.051 0.000 1.898 236 A HA -0.240 4.084 4.320 0.007 0.000 0.216 236 A C 2.081 179.649 177.584 -0.026 0.000 1.181 236 A CA 1.738 53.773 52.037 -0.003 0.000 0.620 236 A CB -0.521 18.472 19.000 -0.011 0.000 0.819 236 A HN 0.351 nan 8.150 nan 0.000 0.442 237 D N -1.640 118.766 120.400 0.010 0.000 2.104 237 D HA -0.196 4.449 4.640 0.007 0.000 0.194 237 D C 1.717 178.033 176.300 0.027 0.000 0.994 237 D CA 1.703 55.708 54.000 0.007 0.000 0.830 237 D CB -0.185 40.630 40.800 0.026 0.000 0.959 237 D HN 0.497 nan 8.370 nan 0.000 0.452 238 Y N 1.582 121.839 120.300 -0.072 0.000 2.128 238 Y HA -0.224 4.330 4.550 0.007 0.000 0.284 238 Y C 2.167 177.934 175.900 -0.221 0.000 1.154 238 Y CA 1.800 59.867 58.100 -0.055 0.000 1.149 238 Y CB -0.667 37.812 38.460 0.031 0.000 0.976 238 Y HN -0.037 nan 8.280 nan 0.000 0.505 239 A N 0.366 122.953 122.820 -0.389 0.000 1.969 239 A HA -0.146 4.178 4.320 0.007 0.000 0.218 239 A C 2.327 179.407 177.584 -0.840 0.000 1.169 239 A CA 1.522 52.903 52.037 -1.092 0.000 0.635 239 A CB -0.529 18.125 19.000 -0.576 0.000 0.810 239 A HN 0.534 nan 8.150 nan 0.000 0.445 240 R N -0.325 119.931 120.500 -0.407 0.000 2.090 240 R HA -0.068 4.276 4.340 0.007 0.000 0.228 240 R C 1.622 177.772 176.300 -0.250 0.000 1.110 240 R CA 1.265 57.198 56.100 -0.278 0.000 0.973 240 R CB -0.302 29.908 30.300 -0.151 0.000 0.869 240 R HN 0.498 nan 8.270 nan 0.000 0.440 241 N N 0.755 119.323 118.700 -0.220 0.000 2.106 241 N HA -0.166 4.578 4.740 0.007 0.000 0.188 241 N C 1.747 177.131 175.510 -0.210 0.000 1.029 241 N CA 1.362 54.336 53.050 -0.127 0.000 0.848 241 N CB -0.417 38.063 38.487 -0.011 0.000 1.007 241 N HN 0.406 nan 8.380 nan 0.000 0.423 242 Y N -0.237 119.887 120.300 -0.292 0.000 2.509 242 Y HA 0.397 4.951 4.550 0.007 0.000 0.293 242 Y C 2.094 177.826 175.900 -0.280 0.000 1.133 242 Y CA 0.206 58.124 58.100 -0.303 0.000 1.283 242 Y CB -0.778 37.550 38.460 -0.221 0.000 1.001 242 Y HN -0.019 nan 8.280 nan 0.000 0.555 243 A N 0.661 123.332 122.820 -0.249 0.000 1.930 243 A HA -0.201 4.123 4.320 0.007 0.000 0.217 243 A C 2.226 179.710 177.584 -0.166 0.000 1.175 243 A CA 1.751 53.646 52.037 -0.237 0.000 0.627 243 A CB -0.680 18.131 19.000 -0.315 0.000 0.815 243 A HN 0.492 nan 8.150 nan 0.000 0.443 244 Q N -0.157 119.544 119.800 -0.167 0.000 2.119 244 Q HA 0.050 4.394 4.340 0.007 0.000 0.201 244 Q C 2.020 177.926 176.000 -0.157 0.000 0.972 244 Q CA 1.856 57.607 55.803 -0.087 0.000 0.847 244 Q CB -0.577 28.179 28.738 0.030 0.000 0.903 244 Q HN 0.542 nan 8.270 nan 0.000 0.433 245 A N 0.251 122.787 122.820 -0.474 0.000 1.902 245 A HA -0.160 4.164 4.320 0.007 0.000 0.217 245 A C 2.117 179.623 177.584 -0.131 0.000 1.181 245 A CA 1.501 53.199 52.037 -0.565 0.000 0.623 245 A CB -0.770 17.811 19.000 -0.699 0.000 0.818 245 A HN 0.469 nan 8.150 nan 0.000 0.443 246 I N -1.056 119.469 120.570 -0.075 0.000 2.127 246 I HA -0.294 3.880 4.170 0.007 0.000 0.241 246 I C 2.750 178.893 176.117 0.044 0.000 1.075 246 I CA 1.933 63.236 61.300 0.005 0.000 1.334 246 I CB -0.316 37.680 38.000 -0.007 0.000 1.040 246 I HN 0.383 nan 8.210 nan 0.000 0.405 247 R N 0.875 121.397 120.500 0.037 0.000 2.091 247 R HA -0.215 4.130 4.340 0.007 0.000 0.238 247 R C 1.900 178.241 176.300 0.068 0.000 1.136 247 R CA 2.138 58.292 56.100 0.089 0.000 0.959 247 R CB -0.199 30.080 30.300 -0.035 0.000 0.856 247 R HN 0.316 nan 8.270 nan 0.000 0.437 248 D N 0.199 120.628 120.400 0.048 0.000 2.117 248 D HA -0.131 4.513 4.640 0.007 0.000 0.197 248 D C 1.742 178.013 176.300 -0.049 0.000 0.987 248 D CA 1.522 55.533 54.000 0.018 0.000 0.829 248 D CB -0.319 40.581 40.800 0.168 0.000 0.961 248 D HN 0.409 nan 8.370 nan 0.000 0.460 249 A N 0.619 123.441 122.820 0.004 0.000 1.902 249 A HA -0.147 4.177 4.320 0.007 0.000 0.217 249 A C 2.545 180.113 177.584 -0.026 0.000 1.181 249 A CA 1.320 53.353 52.037 -0.007 0.000 0.623 249 A CB -0.797 18.222 19.000 0.032 0.000 0.818 249 A HN 0.144 nan 8.150 nan 0.000 0.443 250 V N 1.089 121.002 119.914 -0.001 0.000 2.261 250 V HA -0.269 3.855 4.120 0.007 0.000 0.246 250 V C 2.250 178.292 176.094 -0.087 0.000 1.047 250 V CA 2.188 64.470 62.300 -0.031 0.000 1.015 250 V CB -0.950 30.869 31.823 -0.006 0.000 0.642 250 V HN 0.566 nan 8.190 nan 0.000 0.446 251 N N 0.145 118.772 118.700 -0.122 0.000 2.289 251 N HA -0.059 4.686 4.740 0.007 0.000 0.184 251 N C 1.513 176.770 175.510 -0.422 0.000 1.016 251 N CA 1.074 53.859 53.050 -0.442 0.000 0.872 251 N CB -0.297 37.824 38.487 -0.611 0.000 0.973 251 N HN 0.410 nan 8.380 nan 0.000 0.433 252 L N -0.278 120.820 121.223 -0.209 0.000 2.627 252 L HA 0.148 4.492 4.340 0.007 0.000 0.233 252 L C 1.087 178.004 176.870 0.078 0.000 1.144 252 L CA 0.157 54.950 54.840 -0.078 0.000 0.892 252 L CB -0.290 41.637 42.059 -0.220 0.000 1.039 252 L HN 0.211 nan 8.230 nan 0.000 0.442 253 G N -0.251 108.550 108.800 0.001 0.000 2.141 253 G HA2 -0.243 3.721 3.960 0.007 0.000 0.231 253 G HA3 -0.243 3.721 3.960 0.007 0.000 0.231 253 G C 0.400 175.307 174.900 0.012 0.000 0.984 253 G CA -0.087 45.023 45.100 0.017 0.000 0.660 253 G HN 0.475 nan 8.290 nan 0.000 0.525 254 A N -0.135 122.690 122.820 0.008 0.000 2.498 254 A HA 0.611 4.935 4.320 0.007 0.000 0.239 254 A C 1.391 178.969 177.584 -0.010 0.000 1.068 254 A CA 0.890 52.932 52.037 0.008 0.000 0.766 254 A CB 0.431 19.437 19.000 0.010 0.000 1.003 254 A HN 0.175 nan 8.150 nan 0.000 0.497 255 K N 0.745 121.139 120.400 -0.010 0.000 2.334 255 K HA 0.232 4.557 4.320 0.007 0.000 0.195 255 K C -0.163 176.427 176.600 -0.017 0.000 1.045 255 K CA 0.678 56.954 56.287 -0.019 0.000 1.004 255 K CB 0.274 32.763 32.500 -0.019 0.000 0.837 255 K HN 0.490 nan 8.250 nan 0.000 0.510 256 V N 1.446 121.355 119.914 -0.009 0.000 2.971 256 V HA 0.462 4.586 4.120 0.007 0.000 0.309 256 V C -0.787 175.312 176.094 0.009 0.000 1.130 256 V CA -0.902 61.395 62.300 -0.005 0.000 0.964 256 V CB 2.750 34.568 31.823 -0.009 0.000 1.029 256 V HN -0.065 nan 8.190 nan 0.000 0.427 257 I N 3.378 123.958 120.570 0.018 0.000 2.468 257 I HA 0.402 4.576 4.170 0.007 0.000 0.285 257 I C -0.468 175.669 176.117 0.033 0.000 1.039 257 I CA -0.321 61.000 61.300 0.035 0.000 1.074 257 I CB 1.783 39.814 38.000 0.050 0.000 1.228 257 I HN 0.618 nan 8.210 nan 0.000 0.436 258 N N 7.954 126.682 118.700 0.047 0.000 2.438 258 N HA 0.505 5.249 4.740 0.007 0.000 0.282 258 N C -1.247 174.302 175.510 0.065 0.000 1.037 258 N CA -0.356 52.720 53.050 0.043 0.000 0.942 258 N CB 1.382 39.904 38.487 0.058 0.000 1.136 258 N HN 0.584 nan 8.380 nan 0.000 0.481 259 M N 2.493 122.081 119.600 -0.020 0.000 1.998 259 M HA 0.145 4.629 4.480 0.007 0.000 0.289 259 M C -0.249 175.928 176.300 -0.206 0.000 0.886 259 M CA -0.383 54.833 55.300 -0.140 0.000 0.853 259 M CB 1.195 33.543 32.600 -0.420 0.000 1.462 259 M HN 0.260 nan 8.290 nan 0.000 0.375 260 S N 3.279 119.021 115.700 0.069 0.000 3.983 260 S HA 0.412 4.886 4.470 0.007 0.000 0.194 260 S C -0.701 174.061 174.600 0.270 0.000 1.464 260 S CA -0.288 57.995 58.200 0.139 0.000 1.021 260 S CB -0.815 62.519 63.200 0.223 0.000 1.424 260 S HN 0.561 nan 8.310 nan 0.000 0.473 261 F N -2.132 117.848 119.950 0.050 0.000 2.741 261 F HA 0.889 5.420 4.527 0.007 0.000 0.311 261 F C -0.248 175.564 175.800 0.019 0.000 1.149 261 F CA -0.906 57.106 58.000 0.021 0.000 0.930 261 F CB 0.715 39.733 39.000 0.030 0.000 1.312 261 F HN 0.150 nan 8.300 nan 0.000 0.450 262 G N 0.826 109.800 108.800 0.290 0.000 2.328 262 G HA2 0.368 4.333 3.960 0.007 0.000 0.295 262 G HA3 0.368 4.333 3.960 0.007 0.000 0.295 262 G C -2.714 172.312 174.900 0.210 0.000 1.413 262 G CA -1.223 43.990 45.100 0.188 0.000 0.817 262 G HN 0.807 nan 8.290 nan 0.000 0.546 263 N N 0.424 119.236 118.700 0.187 0.000 2.399 263 N HA 0.554 5.299 4.740 0.007 0.000 0.280 263 N C 0.350 175.893 175.510 0.055 0.000 1.008 263 N CA -0.125 53.008 53.050 0.137 0.000 0.894 263 N CB 2.182 40.781 38.487 0.187 0.000 1.273 263 N HN 0.944 nan 8.380 nan 0.000 0.486 264 A N 1.681 124.472 122.820 -0.048 0.000 2.555 264 A HA 0.356 4.680 4.320 0.007 0.000 0.233 264 A C 1.331 178.779 177.584 -0.226 0.000 1.060 264 A CA 0.874 52.755 52.037 -0.260 0.000 0.759 264 A CB -0.100 18.470 19.000 -0.716 0.000 0.995 264 A HN 1.160 nan 8.150 nan 0.000 0.506 265 A N 0.849 123.559 122.820 -0.184 0.000 3.768 265 A HA -0.187 4.137 4.320 0.007 0.000 0.270 265 A C 0.586 178.211 177.584 0.070 0.000 1.019 265 A CA 1.576 53.595 52.037 -0.029 0.000 1.058 265 A CB -2.644 16.369 19.000 0.022 0.000 1.085 265 A HN 1.060 nan 8.150 nan 0.000 0.857 266 L N -0.604 120.666 121.223 0.078 0.000 2.456 266 L HA 0.409 4.753 4.340 0.007 0.000 0.272 266 L C 1.030 177.970 176.870 0.115 0.000 1.189 266 L CA 0.216 55.122 54.840 0.110 0.000 0.846 266 L CB 0.597 42.733 42.059 0.128 0.000 1.111 266 L HN 0.569 nan 8.230 nan 0.000 0.475 267 A N 2.247 125.136 122.820 0.116 0.000 2.327 267 A HA 0.137 4.462 4.320 0.007 0.000 0.283 267 A C 0.388 178.066 177.584 0.156 0.000 1.127 267 A CA -0.400 51.718 52.037 0.134 0.000 0.810 267 A CB 0.217 19.287 19.000 0.116 0.000 1.066 267 A HN 0.781 nan 8.150 nan 0.000 0.492 268 Y N 2.930 123.271 120.300 0.068 0.000 2.224 268 Y HA -0.116 4.438 4.550 0.007 0.000 0.289 268 Y C 2.173 178.124 175.900 0.086 0.000 1.146 268 Y CA 2.316 60.463 58.100 0.080 0.000 1.182 268 Y CB -0.246 38.240 38.460 0.044 0.000 0.983 268 Y HN 0.659 nan 8.280 nan 0.000 0.524 269 A N 0.713 123.624 122.820 0.152 0.000 1.978 269 A HA -0.232 4.093 4.320 0.007 0.000 0.220 269 A C 1.793 179.349 177.584 -0.047 0.000 1.170 269 A CA 1.886 53.955 52.037 0.052 0.000 0.636 269 A CB -0.689 18.386 19.000 0.124 0.000 0.810 269 A HN 0.631 nan 8.150 nan 0.000 0.448 270 N N -0.249 118.439 118.700 -0.020 0.000 2.461 270 N HA 0.121 4.865 4.740 0.007 0.000 0.188 270 N C 0.202 175.682 175.510 -0.050 0.000 1.134 270 N CA 0.163 53.203 53.050 -0.017 0.000 0.878 270 N CB -0.230 38.271 38.487 0.024 0.000 0.972 270 N HN 0.469 nan 8.380 nan 0.000 0.456 271 L N 1.469 122.621 121.223 -0.119 0.000 2.452 271 L HA 0.203 4.547 4.340 0.007 0.000 0.267 271 L C -1.859 174.933 176.870 -0.130 0.000 1.188 271 L CA -1.519 53.250 54.840 -0.118 0.000 0.821 271 L CB 0.011 41.978 42.059 -0.154 0.000 1.102 271 L HN -0.202 nan 8.230 nan 0.000 0.470 272 P HA -0.025 nan 4.420 nan 0.000 0.269 272 P C -0.101 177.130 177.300 -0.115 0.000 1.209 272 P CA -0.025 63.009 63.100 -0.110 0.000 0.776 272 P CB 0.585 32.207 31.700 -0.129 0.000 0.876 273 D N 1.395 121.745 120.400 -0.083 0.000 2.149 273 D HA -0.206 4.438 4.640 0.007 0.000 0.198 273 D C 1.745 178.005 176.300 -0.068 0.000 0.990 273 D CA 1.621 55.584 54.000 -0.062 0.000 0.839 273 D CB 0.093 40.872 40.800 -0.036 0.000 0.948 273 D HN 0.354 nan 8.370 nan 0.000 0.460 274 E N -1.453 118.693 120.200 -0.090 0.000 2.204 274 E HA -0.164 4.190 4.350 0.007 0.000 0.195 274 E C 2.032 178.538 176.600 -0.155 0.000 0.990 274 E CA 1.550 57.885 56.400 -0.107 0.000 0.821 274 E CB -1.504 28.128 29.700 -0.114 0.000 0.750 274 E HN 0.414 nan 8.360 nan 0.000 0.477 275 T N 0.838 115.272 114.554 -0.200 0.000 2.812 275 T HA -0.017 4.337 4.350 0.007 0.000 0.264 275 T C 1.879 176.428 174.700 -0.251 0.000 1.042 275 T CA 1.436 63.346 62.100 -0.317 0.000 1.140 275 T CB -0.268 68.402 68.868 -0.331 0.000 0.870 275 T HN 0.408 nan 8.240 nan 0.000 0.445 276 K N 0.975 121.348 120.400 -0.046 0.000 2.063 276 K HA -0.068 4.256 4.320 0.007 0.000 0.208 276 K C 2.319 179.029 176.600 0.184 0.000 1.048 276 K CA 0.904 57.304 56.287 0.188 0.000 0.928 276 K CB -0.027 32.532 32.500 0.099 0.000 0.713 276 K HN 0.097 nan 8.250 nan 0.000 0.442 277 K N 0.623 121.059 120.400 0.059 0.000 2.148 277 K HA -0.037 4.287 4.320 0.007 0.000 0.204 277 K C 2.081 178.728 176.600 0.078 0.000 1.050 277 K CA 1.213 57.541 56.287 0.069 0.000 0.942 277 K CB -0.383 32.124 32.500 0.012 0.000 0.724 277 K HN 0.162 nan 8.250 nan 0.000 0.446 278 A N 0.542 123.345 122.820 -0.029 0.000 1.898 278 A HA -0.063 4.261 4.320 0.007 0.000 0.216 278 A C 2.154 179.786 177.584 0.081 0.000 1.181 278 A CA 0.988 53.008 52.037 -0.028 0.000 0.620 278 A CB -0.746 18.133 19.000 -0.201 0.000 0.819 278 A HN 0.226 nan 8.150 nan 0.000 0.442 279 F N 0.503 120.537 119.950 0.140 0.000 2.134 279 F HA -0.208 4.323 4.527 0.007 0.000 0.299 279 F C 2.167 178.030 175.800 0.106 0.000 1.097 279 F CA 1.113 59.187 58.000 0.124 0.000 1.264 279 F CB -0.193 38.897 39.000 0.150 0.000 1.001 279 F HN 0.195 nan 8.300 nan 0.000 0.479 280 D N -0.741 119.849 120.400 0.316 0.000 2.144 280 D HA -0.213 4.431 4.640 0.007 0.000 0.199 280 D C 1.839 178.250 176.300 0.184 0.000 0.984 280 D CA 1.119 55.244 54.000 0.208 0.000 0.834 280 D CB -0.676 40.233 40.800 0.182 0.000 0.955 280 D HN 0.280 nan 8.370 nan 0.000 0.465 281 Y N 1.792 122.134 120.300 0.070 0.000 2.145 281 Y HA -0.164 4.390 4.550 0.007 0.000 0.286 281 Y C 2.286 178.208 175.900 0.037 0.000 1.145 281 Y CA 1.509 59.632 58.100 0.038 0.000 1.148 281 Y CB -0.532 37.936 38.460 0.014 0.000 0.981 281 Y HN -0.052 nan 8.280 nan 0.000 0.507 282 A N 0.400 123.227 122.820 0.012 0.000 1.877 282 A HA -0.243 4.082 4.320 0.007 0.000 0.216 282 A C 2.349 179.885 177.584 -0.081 0.000 1.186 282 A CA 2.047 54.038 52.037 -0.077 0.000 0.620 282 A CB -0.853 18.185 19.000 0.062 0.000 0.822 282 A HN 0.517 nan 8.150 nan 0.000 0.443 283 K N 0.328 120.728 120.400 -0.001 0.000 2.063 283 K HA -0.172 4.152 4.320 0.007 0.000 0.208 283 K C 2.211 178.782 176.600 -0.049 0.000 1.048 283 K CA 1.899 58.178 56.287 -0.013 0.000 0.928 283 K CB -0.232 32.281 32.500 0.022 0.000 0.713 283 K HN 0.596 nan 8.250 nan 0.000 0.442 284 S N -0.015 115.649 115.700 -0.060 0.000 2.474 284 S HA -0.028 4.446 4.470 0.007 0.000 0.235 284 S C 1.388 175.913 174.600 -0.125 0.000 0.997 284 S CA 0.693 58.852 58.200 -0.068 0.000 0.949 284 S CB 0.035 63.217 63.200 -0.029 0.000 0.766 284 S HN 0.174 nan 8.310 nan 0.000 0.517 285 K N 0.653 120.928 120.400 -0.208 0.000 2.374 285 K HA 0.301 4.625 4.320 0.007 0.000 0.196 285 K C 1.265 177.790 176.600 -0.124 0.000 1.023 285 K CA 0.519 56.680 56.287 -0.211 0.000 1.103 285 K CB -0.101 32.181 32.500 -0.365 0.000 0.848 285 K HN 0.562 nan 8.250 nan 0.000 0.528 286 G N 1.256 110.001 108.800 -0.091 0.000 2.143 286 G HA2 -0.231 3.733 3.960 0.007 0.000 0.248 286 G HA3 -0.231 3.733 3.960 0.007 0.000 0.248 286 G C 0.024 174.893 174.900 -0.051 0.000 0.991 286 G CA 0.241 45.307 45.100 -0.056 0.000 0.689 286 G HN 0.114 nan 8.290 nan 0.000 0.522 287 V N 1.215 121.090 119.914 -0.065 0.000 2.364 287 V HA 0.600 4.724 4.120 0.007 0.000 0.272 287 V C 1.013 177.093 176.094 -0.023 0.000 1.036 287 V CA 0.178 62.451 62.300 -0.046 0.000 0.880 287 V CB 1.464 33.253 31.823 -0.057 0.000 0.991 287 V HN 0.552 nan 8.190 nan 0.000 0.460 288 S N 6.178 121.867 115.700 -0.020 0.000 2.548 288 S HA 0.532 5.006 4.470 0.007 0.000 0.277 288 S C -0.422 174.177 174.600 -0.001 0.000 1.315 288 S CA -0.393 57.797 58.200 -0.017 0.000 1.050 288 S CB 0.087 63.272 63.200 -0.026 0.000 0.918 288 S HN 0.533 nan 8.310 nan 0.000 0.497 289 I N 5.033 125.606 120.570 0.004 0.000 2.389 289 I HA 0.383 4.557 4.170 0.007 0.000 0.288 289 I C -0.864 175.237 176.117 -0.026 0.000 0.999 289 I CA -0.877 60.434 61.300 0.018 0.000 1.129 289 I CB 1.989 40.041 38.000 0.087 0.000 1.288 289 I HN 0.315 nan 8.210 nan 0.000 0.444 290 V N 4.801 124.697 119.914 -0.030 0.000 2.459 290 V HA 0.517 4.641 4.120 0.007 0.000 0.295 290 V C 0.167 176.215 176.094 -0.077 0.000 1.029 290 V CA -0.434 61.836 62.300 -0.050 0.000 0.874 290 V CB 1.930 33.736 31.823 -0.030 0.000 0.985 290 V HN 0.857 nan 8.190 nan 0.000 0.438 291 T N 0.596 115.088 114.554 -0.104 0.000 2.887 291 T HA 0.629 4.983 4.350 0.007 0.000 0.288 291 T C -0.104 174.535 174.700 -0.103 0.000 1.021 291 T CA -0.676 61.336 62.100 -0.147 0.000 1.000 291 T CB 1.694 70.446 68.868 -0.194 0.000 1.034 291 T HN 0.715 nan 8.240 nan 0.000 0.467 292 S N 1.100 116.741 115.700 -0.098 0.000 2.565 292 S HA 0.552 5.026 4.470 0.007 0.000 0.274 292 S C 1.565 176.140 174.600 -0.041 0.000 1.309 292 S CA -0.495 57.683 58.200 -0.037 0.000 1.043 292 S CB 1.013 64.217 63.200 0.008 0.000 0.939 292 S HN 1.096 nan 8.310 nan 0.000 0.504 293 A N 2.697 125.508 122.820 -0.015 0.000 1.969 293 A HA 0.495 4.819 4.320 0.007 0.000 0.218 293 A C 1.388 178.978 177.584 0.009 0.000 1.169 293 A CA 0.862 52.890 52.037 -0.016 0.000 0.635 293 A CB -1.285 17.705 19.000 -0.018 0.000 0.810 293 A HN 2.275 nan 8.150 nan 0.000 0.445 294 G N -1.022 107.803 108.800 0.041 0.000 2.440 294 G HA2 0.143 4.107 3.960 0.007 0.000 0.684 294 G HA3 0.143 4.107 3.960 0.007 0.000 0.684 294 G C -0.600 174.373 174.900 0.121 0.000 1.309 294 G CA -0.034 45.099 45.100 0.056 0.000 0.931 294 G HN 0.976 nan 8.290 nan 0.000 0.612 295 N N -0.413 118.357 118.700 0.116 0.000 2.541 295 N HA 0.211 4.956 4.740 0.007 0.000 0.297 295 N C -0.283 175.336 175.510 0.181 0.000 1.503 295 N CA -0.230 52.941 53.050 0.201 0.000 0.919 295 N CB 0.934 39.429 38.487 0.013 0.000 1.305 295 N HN 0.469 nan 8.380 nan 0.000 0.501 296 D N 0.236 120.731 120.400 0.158 0.000 2.402 296 D HA 0.109 4.753 4.640 0.007 0.000 0.216 296 D C 0.129 176.555 176.300 0.209 0.000 1.128 296 D CA -0.093 54.001 54.000 0.156 0.000 0.833 296 D CB 0.761 41.598 40.800 0.061 0.000 0.971 296 D HN 0.185 nan 8.370 nan 0.000 0.503 297 S N 0.362 116.217 115.700 0.259 0.000 4.155 297 S HA -0.245 4.229 4.470 0.007 0.000 0.542 297 S C 0.768 175.593 174.600 0.375 0.000 1.863 297 S CA 1.836 60.239 58.200 0.338 0.000 4.239 297 S CB -1.010 62.341 63.200 0.252 0.000 0.331 297 S HN 0.545 nan 8.310 nan 0.000 0.461 298 S N 0.893 116.722 115.700 0.216 0.000 2.811 298 S HA 0.739 5.213 4.470 0.007 0.000 0.311 298 S C -0.520 174.235 174.600 0.258 0.000 1.152 298 S CA -0.690 57.617 58.200 0.178 0.000 0.864 298 S CB 1.168 64.248 63.200 -0.200 0.000 1.226 298 S HN 0.853 nan 8.310 nan 0.000 0.541 299 F N 1.534 121.593 119.950 0.182 0.000 2.623 299 F HA 0.406 4.937 4.527 0.007 0.000 0.383 299 F C 1.542 177.476 175.800 0.222 0.000 1.077 299 F CA 1.985 60.117 58.000 0.220 0.000 1.268 299 F CB -0.147 38.940 39.000 0.146 0.000 1.053 299 F HN 1.206 nan 8.300 nan 0.000 0.571 300 G N 2.503 111.283 108.800 -0.034 0.000 2.284 300 G HA2 0.154 4.118 3.960 0.007 0.000 0.216 300 G HA3 0.154 4.118 3.960 0.007 0.000 0.216 300 G C 0.813 175.852 174.900 0.231 0.000 1.009 300 G CA 0.131 45.416 45.100 0.308 0.000 0.625 300 G HN 2.219 nan 8.290 nan 0.000 0.501 301 G N -0.028 108.885 108.800 0.189 0.000 2.757 301 G HA2 0.209 4.173 3.960 0.007 0.000 0.638 301 G HA3 0.209 4.173 3.960 0.007 0.000 0.638 301 G C 0.584 175.574 174.900 0.150 0.000 1.344 301 G CA 0.833 46.035 45.100 0.169 0.000 0.855 301 G HN 1.737 nan 8.290 nan 0.000 0.537 302 K N -1.719 118.767 120.400 0.144 0.000 2.442 302 K HA -0.035 4.289 4.320 0.007 0.000 0.198 302 K C 1.930 178.596 176.600 0.111 0.000 1.044 302 K CA 2.427 58.800 56.287 0.142 0.000 0.948 302 K CB -0.218 32.375 32.500 0.156 0.000 0.762 302 K HN 1.053 nan 8.250 nan 0.000 0.472 303 T N -2.336 112.269 114.554 0.086 0.000 3.069 303 T HA 0.243 4.597 4.350 0.007 0.000 0.252 303 T C 0.440 175.160 174.700 0.035 0.000 1.053 303 T CA -0.730 61.402 62.100 0.054 0.000 0.964 303 T CB 0.068 68.953 68.868 0.029 0.000 1.005 303 T HN 0.143 nan 8.240 nan 0.000 0.532 304 R N -0.197 120.339 120.500 0.060 0.000 2.888 304 R HA 0.774 5.119 4.340 0.007 0.000 0.264 304 R C -1.325 175.016 176.300 0.067 0.000 1.045 304 R CA -1.031 55.092 56.100 0.039 0.000 0.962 304 R CB 1.619 31.965 30.300 0.077 0.000 1.210 304 R HN 0.118 nan 8.270 nan 0.000 0.479 305 L N 2.173 123.421 121.223 0.041 0.000 2.346 305 L HA 0.556 4.901 4.340 0.007 0.000 0.274 305 L C -2.211 174.856 176.870 0.328 0.000 1.007 305 L CA -2.211 52.675 54.840 0.077 0.000 0.818 305 L CB 2.245 44.281 42.059 -0.039 0.000 1.284 305 L HN 0.330 nan 8.230 nan 0.000 0.424 306 P HA 0.205 nan 4.420 nan 0.000 0.276 306 P C -0.890 176.651 177.300 0.401 0.000 1.252 306 P CA -0.469 62.816 63.100 0.309 0.000 0.802 306 P CB 0.982 32.725 31.700 0.071 0.000 1.035 307 L N 1.209 122.586 121.223 0.257 0.000 2.380 307 L HA 0.199 4.543 4.340 0.007 0.000 0.273 307 L C 1.965 178.743 176.870 -0.153 0.000 1.138 307 L CA -0.458 54.404 54.840 0.037 0.000 0.832 307 L CB 0.481 42.572 42.059 0.054 0.000 1.124 307 L HN 0.430 nan 8.230 nan 0.000 0.454 308 A N 1.645 124.116 122.820 -0.581 0.000 2.024 308 A HA -0.186 4.138 4.320 0.007 0.000 0.220 308 A C 1.606 178.912 177.584 -0.464 0.000 1.164 308 A CA 1.490 52.879 52.037 -1.081 0.000 0.643 308 A CB -0.361 18.196 19.000 -0.738 0.000 0.806 308 A HN 0.852 nan 8.150 nan 0.000 0.451 309 D N -0.643 119.535 120.400 -0.370 0.000 2.310 309 D HA -0.034 4.611 4.640 0.007 0.000 0.212 309 D C 0.003 176.000 176.300 -0.506 0.000 0.965 309 D CA 0.829 54.555 54.000 -0.456 0.000 0.879 309 D CB -0.120 40.251 40.800 -0.715 0.000 0.921 309 D HN 0.555 nan 8.370 nan 0.000 0.510 310 H N -0.796 118.348 119.070 0.123 0.000 2.541 310 H HA 0.212 4.772 4.556 0.007 0.000 0.246 310 H C -1.743 173.799 175.328 0.357 0.000 1.341 310 H CA -1.627 54.490 56.048 0.115 0.000 1.469 310 H CB 1.475 31.176 29.762 -0.102 0.000 1.472 310 H HN -0.027 nan 8.280 nan 0.000 0.503 311 P HA -0.119 nan 4.420 nan 0.000 0.222 311 P C 0.792 178.167 177.300 0.125 0.000 1.147 311 P CA 1.026 64.357 63.100 0.385 0.000 0.790 311 P CB 0.382 32.305 31.700 0.371 0.000 0.780 312 D N -0.275 120.133 120.400 0.015 0.000 2.845 312 D HA -0.021 4.623 4.640 0.007 0.000 0.235 312 D C 0.157 176.495 176.300 0.064 0.000 1.158 312 D CA -0.564 53.445 54.000 0.016 0.000 0.990 312 D CB -0.909 39.723 40.800 -0.280 0.000 1.094 312 D HN 0.315 nan 8.370 nan 0.000 0.486 313 Y N -0.798 119.560 120.300 0.097 0.000 2.532 313 Y HA 0.486 5.041 4.550 0.007 0.000 0.283 313 Y C 1.068 177.055 175.900 0.145 0.000 1.181 313 Y CA -1.111 57.043 58.100 0.090 0.000 1.256 313 Y CB -0.125 38.337 38.460 0.002 0.000 1.112 313 Y HN 0.037 nan 8.280 nan 0.000 0.521 314 G N 0.861 109.766 108.800 0.176 0.000 2.544 314 G HA2 0.341 4.305 3.960 0.007 0.000 0.242 314 G HA3 0.341 4.305 3.960 0.007 0.000 0.242 314 G C 0.427 175.457 174.900 0.217 0.000 1.247 314 G CA 0.124 45.347 45.100 0.205 0.000 0.840 314 G HN 0.687 nan 8.290 nan 0.000 0.578 315 V N -0.687 119.331 119.914 0.174 0.000 3.337 315 V HA 0.271 4.396 4.120 0.007 0.000 0.307 315 V C 0.538 176.622 176.094 -0.016 0.000 1.505 315 V CA -0.381 61.947 62.300 0.048 0.000 1.072 315 V CB -0.191 31.632 31.823 -0.000 0.000 0.929 315 V HN 0.393 nan 8.190 nan 0.000 0.455 316 V N 2.538 122.474 119.914 0.036 0.000 2.673 316 V HA 0.574 4.698 4.120 0.007 0.000 0.303 316 V C 1.330 177.425 176.094 0.001 0.000 1.046 316 V CA 1.482 63.787 62.300 0.008 0.000 1.126 316 V CB 0.465 32.291 31.823 0.004 0.000 0.934 316 V HN 0.626 nan 8.190 nan 0.000 0.487 317 G N 3.719 112.516 108.800 -0.005 0.000 3.175 317 G HA2 0.699 4.664 3.960 0.007 0.000 0.153 317 G HA3 0.699 4.664 3.960 0.007 0.000 0.153 317 G C -0.177 174.756 174.900 0.055 0.000 1.216 317 G CA 0.218 45.335 45.100 0.028 0.000 0.943 317 G HN 0.763 nan 8.290 nan 0.000 0.611 318 T N -1.224 113.392 114.554 0.104 0.000 2.918 318 T HA 0.588 4.942 4.350 0.007 0.000 0.286 318 T C -1.845 172.926 174.700 0.118 0.000 1.026 318 T CA -1.530 60.655 62.100 0.142 0.000 1.031 318 T CB 2.707 71.720 68.868 0.241 0.000 1.046 318 T HN 0.272 nan 8.240 nan 0.000 0.479 319 P HA 0.062 nan 4.420 nan 0.000 0.237 319 P C 1.490 178.729 177.300 -0.102 0.000 1.178 319 P CA 0.421 63.554 63.100 0.055 0.000 0.766 319 P CB -0.246 31.428 31.700 -0.043 0.000 0.876 320 A N 1.637 124.386 122.820 -0.118 0.000 1.917 320 A HA -0.166 4.158 4.320 0.007 0.000 0.219 320 A C 2.478 179.990 177.584 -0.121 0.000 1.182 320 A CA 2.233 54.191 52.037 -0.132 0.000 0.633 320 A CB -1.580 17.364 19.000 -0.093 0.000 0.819 320 A HN 0.267 nan 8.150 nan 0.000 0.448 321 A N -0.421 122.371 122.820 -0.046 0.000 2.131 321 A HA 0.334 4.658 4.320 0.007 0.000 0.220 321 A C 1.466 178.978 177.584 -0.119 0.000 1.158 321 A CA 1.059 53.078 52.037 -0.030 0.000 0.665 321 A CB -1.082 17.967 19.000 0.082 0.000 0.795 321 A HN 1.289 nan 8.150 nan 0.000 0.460 322 A N 0.416 123.133 122.820 -0.171 0.000 2.522 322 A HA 0.267 4.591 4.320 0.007 0.000 0.256 322 A C 0.909 178.243 177.584 -0.417 0.000 1.086 322 A CA 0.527 52.325 52.037 -0.398 0.000 0.763 322 A CB -0.192 18.316 19.000 -0.820 0.000 1.024 322 A HN 0.489 nan 8.150 nan 0.000 0.502 323 D N 2.503 122.636 120.400 -0.445 0.000 2.182 323 D HA -0.199 4.445 4.640 0.007 0.000 0.201 323 D C 2.010 178.177 176.300 -0.221 0.000 0.986 323 D CA 2.186 56.011 54.000 -0.291 0.000 0.847 323 D CB 0.135 40.774 40.800 -0.269 0.000 0.942 323 D HN 0.598 nan 8.370 nan 0.000 0.467 324 S N -1.154 114.412 115.700 -0.224 0.000 2.481 324 S HA -0.064 4.411 4.470 0.007 0.000 0.231 324 S C 1.126 175.637 174.600 -0.148 0.000 0.996 324 S CA 0.636 58.751 58.200 -0.142 0.000 0.942 324 S CB -0.972 62.190 63.200 -0.064 0.000 0.768 324 S HN 0.381 nan 8.310 nan 0.000 0.520 325 T N -0.135 114.283 114.554 -0.226 0.000 2.874 325 T HA 0.543 4.897 4.350 0.007 0.000 0.281 325 T C -0.254 174.361 174.700 -0.141 0.000 0.994 325 T CA -0.997 60.992 62.100 -0.185 0.000 1.015 325 T CB 0.878 69.591 68.868 -0.257 0.000 1.028 325 T HN 0.255 nan 8.240 nan 0.000 0.523 326 L N 2.236 123.395 121.223 -0.107 0.000 2.264 326 L HA 0.354 4.698 4.340 0.007 0.000 0.287 326 L C -0.274 176.544 176.870 -0.087 0.000 1.039 326 L CA -0.500 54.288 54.840 -0.086 0.000 0.829 326 L CB 0.937 42.959 42.059 -0.063 0.000 1.211 326 L HN 0.901 nan 8.230 nan 0.000 0.427 327 T N 3.698 118.197 114.554 -0.092 0.000 2.806 327 T HA 0.383 4.737 4.350 0.007 0.000 0.290 327 T C -0.103 174.560 174.700 -0.063 0.000 0.966 327 T CA -0.306 61.742 62.100 -0.087 0.000 1.060 327 T CB 1.648 70.457 68.868 -0.098 0.000 0.927 327 T HN 0.267 nan 8.240 nan 0.000 0.485 328 V N 2.798 122.684 119.914 -0.047 0.000 2.417 328 V HA 0.718 4.842 4.120 0.007 0.000 0.291 328 V C 0.461 176.545 176.094 -0.017 0.000 1.024 328 V CA -1.063 61.222 62.300 -0.025 0.000 0.861 328 V CB 1.145 32.964 31.823 -0.006 0.000 0.985 328 V HN 1.084 nan 8.190 nan 0.000 0.436 329 A N 3.499 126.302 122.820 -0.029 0.000 2.252 329 A HA 0.820 5.144 4.320 0.007 0.000 0.305 329 A C 0.241 177.821 177.584 -0.006 0.000 1.097 329 A CA -0.340 51.669 52.037 -0.045 0.000 0.849 329 A CB 1.265 20.195 19.000 -0.116 0.000 1.142 329 A HN 0.838 nan 8.150 nan 0.000 0.499 330 S N -0.921 114.751 115.700 -0.046 0.000 2.501 330 S HA 0.737 5.211 4.470 0.007 0.000 0.301 330 S C -0.893 173.637 174.600 -0.116 0.000 1.096 330 S CA -0.483 57.688 58.200 -0.048 0.000 1.063 330 S CB 0.630 63.833 63.200 0.006 0.000 1.042 330 S HN 1.212 nan 8.310 nan 0.000 0.494 331 Y N 0.996 121.179 120.300 -0.195 0.000 2.644 331 Y HA 0.785 5.339 4.550 0.007 0.000 0.338 331 Y C -0.647 175.202 175.900 -0.085 0.000 1.119 331 Y CA -1.085 56.891 58.100 -0.208 0.000 1.060 331 Y CB 1.062 39.398 38.460 -0.206 0.000 1.294 331 Y HN 0.503 nan 8.280 nan 0.000 0.472 332 S N 2.765 118.436 115.700 -0.049 0.000 2.449 332 S HA 0.685 5.159 4.470 0.007 0.000 0.310 332 S C -2.815 171.785 174.600 -0.000 0.000 1.096 332 S CA -1.669 56.492 58.200 -0.064 0.000 1.095 332 S CB 0.991 64.359 63.200 0.280 0.000 1.007 332 S HN 0.528 nan 8.310 nan 0.000 0.474 333 P HA 0.202 nan 4.420 nan 0.000 0.277 333 P C -0.112 177.250 177.300 0.104 0.000 1.276 333 P CA -0.272 62.882 63.100 0.091 0.000 0.788 333 P CB 0.412 32.114 31.700 0.003 0.000 1.114 334 D N -1.003 119.464 120.400 0.112 0.000 2.349 334 D HA -0.025 4.620 4.640 0.007 0.000 0.224 334 D C -0.006 176.324 176.300 0.050 0.000 1.029 334 D CA 0.604 54.652 54.000 0.080 0.000 0.879 334 D CB -0.358 40.489 40.800 0.078 0.000 0.906 334 D HN 0.397 nan 8.370 nan 0.000 0.528 335 K N -1.635 118.789 120.400 0.040 0.000 2.551 335 K HA 0.572 4.896 4.320 0.007 0.000 0.269 335 K C -1.487 175.123 176.600 0.016 0.000 0.949 335 K CA -1.101 55.201 56.287 0.025 0.000 0.849 335 K CB 1.880 34.391 32.500 0.018 0.000 1.411 335 K HN -0.057 nan 8.250 nan 0.000 0.432 336 Q N 1.639 121.447 119.800 0.014 0.000 2.353 336 Q HA 0.356 4.700 4.340 0.007 0.000 0.275 336 Q C -2.103 173.904 176.000 0.010 0.000 1.029 336 Q CA -0.863 54.946 55.803 0.011 0.000 0.848 336 Q CB 1.965 30.718 28.738 0.026 0.000 1.390 336 Q HN 0.719 nan 8.270 nan 0.000 0.401 337 L N 2.782 124.006 121.223 0.001 0.000 2.433 337 L HA 0.632 4.976 4.340 0.007 0.000 0.275 337 L C -0.785 176.105 176.870 0.035 0.000 1.128 337 L CA 1.086 55.928 54.840 0.003 0.000 0.875 337 L CB 0.692 42.736 42.059 -0.024 0.000 1.171 337 L HN 0.750 nan 8.230 nan 0.000 0.463 338 T N 3.644 118.226 114.554 0.046 0.000 2.896 338 T HA 0.424 4.779 4.350 0.007 0.000 0.297 338 T C -0.488 174.256 174.700 0.072 0.000 1.108 338 T CA -0.680 61.457 62.100 0.062 0.000 1.004 338 T CB 0.952 69.854 68.868 0.057 0.000 1.159 338 T HN 0.715 nan 8.240 nan 0.000 0.499 339 E N 1.211 121.463 120.200 0.086 0.000 2.392 339 E HA 0.485 4.839 4.350 0.007 0.000 0.259 339 E C 0.042 176.685 176.600 0.073 0.000 1.108 339 E CA -0.334 56.124 56.400 0.097 0.000 0.916 339 E CB 0.966 30.742 29.700 0.128 0.000 0.989 339 E HN 0.755 nan 8.360 nan 0.000 0.432 340 T N -2.543 112.044 114.554 0.055 0.000 2.812 340 T HA 0.757 5.111 4.350 0.007 0.000 0.294 340 T C -1.093 173.546 174.700 -0.101 0.000 1.159 340 T CA -0.943 61.147 62.100 -0.016 0.000 1.008 340 T CB 1.771 70.627 68.868 -0.020 0.000 1.289 340 T HN 0.498 nan 8.240 nan 0.000 0.514 341 A N 0.669 123.343 122.820 -0.243 0.000 2.475 341 A HA 0.803 5.128 4.320 0.007 0.000 0.301 341 A C -0.329 177.082 177.584 -0.288 0.000 1.059 341 A CA -0.848 50.908 52.037 -0.469 0.000 0.710 341 A CB 1.687 20.114 19.000 -0.955 0.000 1.288 341 A HN 0.930 nan 8.150 nan 0.000 0.408 342 T N 0.831 115.246 114.554 -0.232 0.000 2.856 342 T HA 0.644 4.998 4.350 0.007 0.000 0.283 342 T C -0.889 173.745 174.700 -0.111 0.000 1.008 342 T CA -0.468 61.553 62.100 -0.132 0.000 0.997 342 T CB 1.472 70.299 68.868 -0.069 0.000 0.992 342 T HN 1.190 nan 8.240 nan 0.000 0.454 343 V N 2.209 122.076 119.914 -0.078 0.000 3.007 343 V HA 0.682 4.806 4.120 0.007 0.000 0.311 343 V C -1.318 174.765 176.094 -0.018 0.000 1.120 343 V CA -1.059 61.221 62.300 -0.035 0.000 0.980 343 V CB 2.252 34.052 31.823 -0.039 0.000 1.033 343 V HN 0.830 nan 8.190 nan 0.000 0.429 344 K N 2.984 123.386 120.400 0.004 0.000 2.240 344 K HA 0.604 4.928 4.320 0.007 0.000 0.271 344 K C -0.136 176.464 176.600 0.000 0.000 1.018 344 K CA -0.252 56.034 56.287 -0.001 0.000 0.874 344 K CB 1.212 33.714 32.500 0.003 0.000 1.098 344 K HN 0.959 nan 8.250 nan 0.000 0.458 345 T N 0.242 114.791 114.554 -0.009 0.000 2.902 345 T HA 0.214 4.568 4.350 0.007 0.000 0.280 345 T C 1.436 176.129 174.700 -0.011 0.000 0.992 345 T CA 0.036 62.129 62.100 -0.012 0.000 1.015 345 T CB 1.167 70.023 68.868 -0.020 0.000 1.044 345 T HN 0.619 nan 8.240 nan 0.000 0.520 346 D N 0.296 120.688 120.400 -0.013 0.000 2.204 346 D HA -0.260 4.384 4.640 0.007 0.000 0.189 346 D C 1.987 178.280 176.300 -0.012 0.000 1.006 346 D CA 2.882 56.874 54.000 -0.013 0.000 0.855 346 D CB -1.961 38.830 40.800 -0.016 0.000 0.946 346 D HN 0.969 nan 8.370 nan 0.000 0.448 347 D N -2.504 117.889 120.400 -0.013 0.000 2.393 347 D HA 0.079 4.723 4.640 0.007 0.000 0.220 347 D C 1.561 177.855 176.300 -0.009 0.000 0.974 347 D CA 3.436 57.429 54.000 -0.011 0.000 0.931 347 D CB -1.714 nan 40.800 nan 0.000 0.889 347 D HN 2.133 nan 8.370 nan 0.000 0.512 348 H N -5.267 113.797 119.070 -0.009 0.000 3.151 348 H HA 0.246 4.806 4.556 0.007 0.000 0.230 348 H C 0.815 176.138 175.328 -0.007 0.000 1.186 348 H CA 1.912 57.956 56.048 -0.007 0.000 1.124 348 H CB -2.525 nan 29.762 nan 0.000 1.208 348 H HN 1.850 nan 8.280 nan 0.000 0.318 349 Q N -0.049 119.745 119.800 -0.009 0.000 2.266 349 Q HA 0.941 5.285 4.340 0.007 0.000 0.261 349 Q C 0.638 176.630 176.000 -0.012 0.000 0.985 349 Q CA 0.243 56.040 55.803 -0.010 0.000 0.873 349 Q CB 1.171 29.902 28.738 -0.012 0.000 1.306 349 Q HN 2.410 nan 8.270 nan 0.000 0.447 350 A N 2.195 125.007 122.820 -0.012 0.000 2.388 350 A HA 0.618 4.942 4.320 0.007 0.000 0.257 350 A C -0.051 177.519 177.584 -0.023 0.000 1.095 350 A CA -0.255 51.772 52.037 -0.016 0.000 0.791 350 A CB 0.563 19.555 19.000 -0.013 0.000 1.029 350 A HN 0.499 nan 8.150 nan 0.000 0.489 351 K N 2.398 122.778 120.400 -0.033 0.000 2.545 351 K HA 0.301 4.625 4.320 0.007 0.000 0.252 351 K C -0.993 175.572 176.600 -0.059 0.000 0.948 351 K CA -0.134 56.128 56.287 -0.042 0.000 0.827 351 K CB 1.269 33.741 32.500 -0.046 0.000 1.128 351 K HN 0.883 nan 8.250 nan 0.000 0.429 352 E N 4.072 124.241 120.200 -0.053 0.000 2.231 352 E HA 0.417 4.771 4.350 0.007 0.000 0.277 352 E C -0.177 176.382 176.600 -0.068 0.000 0.999 352 E CA -0.530 55.832 56.400 -0.063 0.000 0.827 352 E CB 1.432 31.107 29.700 -0.040 0.000 1.101 352 E HN 0.499 nan 8.360 nan 0.000 0.393 353 M N 1.125 120.670 119.600 -0.092 0.000 2.501 353 M HA 0.607 5.091 4.480 0.007 0.000 0.293 353 M C -2.857 173.403 176.300 -0.066 0.000 1.192 353 M CA -2.438 52.813 55.300 -0.081 0.000 0.886 353 M CB 2.474 35.007 32.600 -0.112 0.000 1.710 353 M HN 0.078 nan 8.290 nan 0.000 0.457 354 P HA 0.297 nan 4.420 nan 0.000 0.275 354 P C -0.942 176.368 177.300 0.017 0.000 1.228 354 P CA -0.306 62.799 63.100 0.009 0.000 0.786 354 P CB 1.255 32.977 31.700 0.037 0.000 0.927 355 V N 0.420 120.363 119.914 0.048 0.000 2.925 355 V HA 0.656 4.780 4.120 0.007 0.000 0.311 355 V C -1.151 175.026 176.094 0.139 0.000 1.104 355 V CA -1.185 61.170 62.300 0.091 0.000 0.954 355 V CB 2.053 33.932 31.823 0.093 0.000 1.022 355 V HN 0.334 nan 8.190 nan 0.000 0.427 356 L N 3.246 124.575 121.223 0.177 0.000 2.345 356 L HA 0.776 5.120 4.340 0.007 0.000 0.274 356 L C -0.092 176.880 176.870 0.171 0.000 0.999 356 L CA 0.339 55.272 54.840 0.154 0.000 0.849 356 L CB 1.435 43.572 42.059 0.130 0.000 1.220 356 L HN 0.894 nan 8.230 nan 0.000 0.422 357 S N 2.217 118.018 115.700 0.169 0.000 2.525 357 S HA 0.681 5.156 4.470 0.007 0.000 0.290 357 S C -0.189 174.473 174.600 0.104 0.000 1.152 357 S CA -0.499 57.815 58.200 0.189 0.000 1.072 357 S CB 1.484 64.843 63.200 0.264 0.000 1.027 357 S HN 0.637 nan 8.310 nan 0.000 0.500 358 T N 4.754 119.348 114.554 0.067 0.000 2.779 358 T HA 0.510 4.864 4.350 0.007 0.000 0.280 358 T C -0.001 174.667 174.700 -0.055 0.000 0.987 358 T CA -0.327 61.776 62.100 0.006 0.000 0.966 358 T CB 0.275 69.141 68.868 -0.005 0.000 0.933 358 T HN 0.751 nan 8.240 nan 0.000 0.442 359 N N 1.955 120.618 118.700 -0.062 0.000 6.891 359 N HA -0.151 4.593 4.740 0.007 0.000 0.420 359 N C -1.004 174.421 175.510 -0.141 0.000 0.939 359 N CA 0.073 53.054 53.050 -0.115 0.000 1.300 359 N CB -0.061 38.322 38.487 -0.175 0.000 0.824 359 N HN 0.475 nan 8.380 nan 0.000 0.284 360 R N 0.016 120.394 120.500 -0.204 0.000 2.561 360 R HA 0.520 4.864 4.340 0.007 0.000 0.297 360 R C -0.623 175.495 176.300 -0.303 0.000 0.969 360 R CA -0.482 55.517 56.100 -0.168 0.000 0.879 360 R CB 0.293 30.559 30.300 -0.057 0.000 1.178 360 R HN 0.399 nan 8.270 nan 0.000 0.445 361 F N 0.710 120.491 119.950 -0.282 0.000 2.370 361 F HA 0.303 4.834 4.527 0.007 0.000 0.324 361 F C 1.555 177.319 175.800 -0.060 0.000 1.116 361 F CA -0.264 57.520 58.000 -0.359 0.000 1.123 361 F CB 0.585 38.935 39.000 -1.083 0.000 1.238 361 F HN 0.551 nan 8.300 nan 0.000 0.536 362 E N 3.206 123.618 120.200 0.352 0.000 2.265 362 E HA 0.236 4.590 4.350 0.007 0.000 0.272 362 E C -2.656 174.131 176.600 0.311 0.000 1.067 362 E CA -2.227 54.336 56.400 0.271 0.000 0.900 362 E CB -0.918 28.913 29.700 0.217 0.000 1.017 362 E HN 0.296 nan 8.360 nan 0.000 0.431 363 P HA 0.059 nan 4.420 nan 0.000 0.269 363 P C -0.270 177.136 177.300 0.176 0.000 1.209 363 P CA -0.104 63.122 63.100 0.210 0.000 0.776 363 P CB 0.669 32.452 31.700 0.139 0.000 0.876 364 N N -1.703 117.105 118.700 0.179 0.000 2.815 364 N HA -0.198 4.547 4.740 0.007 0.000 0.247 364 N C 0.160 175.741 175.510 0.117 0.000 1.030 364 N CA 1.268 54.393 53.050 0.124 0.000 0.881 364 N CB -1.438 37.096 38.487 0.078 0.000 1.134 364 N HN 0.620 nan 8.380 nan 0.000 0.582 365 K N 1.050 121.551 120.400 0.168 0.000 2.227 365 K HA 0.560 4.884 4.320 0.007 0.000 0.280 365 K C -0.146 176.523 176.600 0.115 0.000 1.041 365 K CA -0.235 56.088 56.287 0.061 0.000 0.905 365 K CB 0.783 33.240 32.500 -0.072 0.000 1.068 365 K HN 0.140 nan 8.250 nan 0.000 0.470 366 A N 4.685 127.531 122.820 0.042 0.000 2.404 366 A HA 0.254 4.578 4.320 0.007 0.000 0.273 366 A C -1.279 176.351 177.584 0.077 0.000 1.144 366 A CA -0.100 52.000 52.037 0.105 0.000 0.806 366 A CB -0.105 18.930 19.000 0.058 0.000 1.080 366 A HN 0.702 nan 8.150 nan 0.000 0.509 367 Y N 1.001 121.400 120.300 0.166 0.000 2.487 367 Y HA 0.366 4.920 4.550 0.007 0.000 0.337 367 Y C 0.284 176.293 175.900 0.182 0.000 1.076 367 Y CA -0.525 57.692 58.100 0.196 0.000 1.115 367 Y CB 1.714 40.351 38.460 0.294 0.000 1.235 367 Y HN 0.625 nan 8.280 nan 0.000 0.468 368 D N 1.201 121.791 120.400 0.317 0.000 2.229 368 D HA 0.266 4.910 4.640 0.007 0.000 0.249 368 D C -1.136 175.331 176.300 0.279 0.000 1.027 368 D CA -0.032 54.077 54.000 0.182 0.000 0.923 368 D CB 1.731 42.582 40.800 0.085 0.000 1.174 368 D HN 0.501 nan 8.370 nan 0.000 0.443 369 Y N -1.498 118.887 120.300 0.143 0.000 2.562 369 Y HA 0.726 5.280 4.550 0.007 0.000 0.345 369 Y C -1.668 174.306 175.900 0.124 0.000 1.045 369 Y CA -1.392 56.794 58.100 0.143 0.000 1.028 369 Y CB 1.229 39.765 38.460 0.126 0.000 1.297 369 Y HN 0.350 nan 8.280 nan 0.000 0.463 370 A N 2.270 125.289 122.820 0.332 0.000 2.393 370 A HA 0.547 4.871 4.320 0.007 0.000 0.306 370 A C -2.120 175.653 177.584 0.315 0.000 1.050 370 A CA -0.822 51.357 52.037 0.237 0.000 0.724 370 A CB 0.798 19.885 19.000 0.146 0.000 1.248 370 A HN 0.850 nan 8.150 nan 0.000 0.424 371 Y N 2.106 122.503 120.300 0.161 0.000 2.511 371 Y HA 0.369 4.923 4.550 0.007 0.000 0.332 371 Y C 0.623 176.539 175.900 0.025 0.000 1.177 371 Y CA 0.287 58.462 58.100 0.124 0.000 1.422 371 Y CB 0.963 39.484 38.460 0.101 0.000 1.271 371 Y HN 0.835 nan 8.280 nan 0.000 0.550 372 A N 5.905 128.336 122.820 -0.649 0.000 2.663 372 A HA 0.297 4.621 4.320 0.007 0.000 0.273 372 A C 0.436 177.484 177.584 -0.894 0.000 0.932 372 A CA -0.295 51.288 52.037 -0.757 0.000 1.055 372 A CB -0.635 17.917 19.000 -0.747 0.000 1.206 372 A HN 0.977 nan 8.150 nan 0.000 0.485 373 N N 0.340 118.209 118.700 -1.385 0.000 1.175 373 N HA -0.247 4.497 4.740 0.007 0.000 0.114 373 N C 0.425 175.720 175.510 -0.359 0.000 0.804 373 N CA 1.579 54.203 53.050 -0.711 0.000 0.858 373 N CB -0.526 37.734 38.487 -0.378 0.000 1.032 373 N HN 0.631 nan 8.380 nan 0.000 0.617 374 R N 1.717 122.092 120.500 -0.209 0.000 2.391 374 R HA 0.211 4.555 4.340 0.007 0.000 0.249 374 R C 1.046 177.284 176.300 -0.103 0.000 0.957 374 R CA 0.635 56.658 56.100 -0.129 0.000 1.093 374 R CB -0.384 29.874 30.300 -0.070 0.000 1.156 374 R HN 0.791 nan 8.270 nan 0.000 0.526 375 G N 1.611 110.273 108.800 -0.230 0.000 2.321 375 G HA2 -0.320 3.644 3.960 0.007 0.000 0.287 375 G HA3 -0.320 3.644 3.960 0.007 0.000 0.287 375 G C 0.704 175.677 174.900 0.123 0.000 1.018 375 G CA 0.601 45.593 45.100 -0.179 0.000 0.855 375 G HN 0.335 nan 8.290 nan 0.000 0.507 376 M N -0.674 118.936 119.600 0.016 0.000 2.287 376 M HA 0.110 4.594 4.480 0.007 0.000 0.266 376 M C 1.660 178.023 176.300 0.105 0.000 1.079 376 M CA 1.381 56.721 55.300 0.067 0.000 1.146 376 M CB -0.042 32.567 32.600 0.015 0.000 1.374 376 M HN 0.385 nan 8.290 nan 0.000 0.435 377 K N 0.473 120.916 120.400 0.072 0.000 2.267 377 K HA 0.324 4.648 4.320 0.007 0.000 0.246 377 K C -0.141 176.566 176.600 0.178 0.000 0.954 377 K CA -0.448 55.898 56.287 0.097 0.000 0.824 377 K CB 1.487 34.011 32.500 0.039 0.000 1.167 377 K HN 0.046 nan 8.250 nan 0.000 0.431 378 E N 1.488 121.802 120.200 0.189 0.000 2.114 378 E HA -0.305 4.049 4.350 0.007 0.000 0.199 378 E C 1.909 178.626 176.600 0.195 0.000 1.008 378 E CA 2.534 59.079 56.400 0.242 0.000 0.810 378 E CB -0.489 29.287 29.700 0.125 0.000 0.739 378 E HN 0.881 nan 8.360 nan 0.000 0.456 379 D N 2.198 122.651 120.400 0.087 0.000 2.157 379 D HA -0.253 4.391 4.640 0.007 0.000 0.191 379 D C 1.653 177.944 176.300 -0.016 0.000 1.004 379 D CA 1.830 55.852 54.000 0.036 0.000 0.854 379 D CB -0.850 nan 40.800 nan 0.000 0.936 379 D HN 0.117 nan 8.370 nan 0.000 0.446 380 D N -0.397 119.933 120.400 -0.117 0.000 2.172 380 D HA -0.099 4.545 4.640 0.007 0.000 0.196 380 D C 1.257 177.312 176.300 -0.408 0.000 0.999 380 D CA 0.891 54.678 54.000 -0.354 0.000 0.856 380 D CB -0.529 39.900 40.800 -0.619 0.000 0.934 380 D HN 0.646 nan 8.370 nan 0.000 0.453 381 F N 0.513 120.451 119.950 -0.019 0.000 2.663 381 F HA 0.034 4.565 4.527 0.007 0.000 0.299 381 F C 1.399 177.208 175.800 0.014 0.000 1.143 381 F CA -0.229 57.772 58.000 0.001 0.000 1.387 381 F CB -0.262 38.742 39.000 0.007 0.000 1.019 381 F HN -0.186 nan 8.300 nan 0.000 0.523 382 K N -1.018 119.452 120.400 0.117 0.000 2.773 382 K HA -0.002 4.322 4.320 0.007 0.000 0.222 382 K C 0.068 176.716 176.600 0.079 0.000 0.985 382 K CA 0.975 57.316 56.287 0.090 0.000 1.126 382 K CB -0.873 31.659 32.500 0.054 0.000 0.919 382 K HN 0.463 nan 8.250 nan 0.000 0.487 383 D N -1.746 118.716 120.400 0.103 0.000 2.811 383 D HA -0.047 4.597 4.640 0.007 0.000 0.370 383 D C 0.804 177.172 176.300 0.115 0.000 1.412 383 D CA 0.531 54.584 54.000 0.088 0.000 0.964 383 D CB 0.303 41.142 40.800 0.065 0.000 1.637 383 D HN 0.164 nan 8.370 nan 0.000 0.377 384 V N -2.277 117.734 119.914 0.161 0.000 3.406 384 V HA 0.437 4.561 4.120 0.007 0.000 0.263 384 V C 1.172 177.354 176.094 0.147 0.000 1.172 384 V CA 0.666 63.080 62.300 0.189 0.000 1.140 384 V CB -1.131 30.869 31.823 0.295 0.000 0.784 384 V HN 0.272 nan 8.190 nan 0.000 0.467 385 K N 1.389 121.856 120.400 0.113 0.000 2.440 385 K HA 0.366 4.690 4.320 0.007 0.000 0.275 385 K C 1.502 178.153 176.600 0.086 0.000 1.082 385 K CA 0.872 57.209 56.287 0.083 0.000 1.135 385 K CB -1.446 31.091 32.500 0.063 0.000 0.864 385 K HN 2.001 nan 8.250 nan 0.000 0.479 386 G N 1.230 110.083 108.800 0.088 0.000 2.189 386 G HA2 -0.268 3.696 3.960 0.007 0.000 0.267 386 G HA3 -0.268 3.696 3.960 0.007 0.000 0.267 386 G C 0.358 175.344 174.900 0.143 0.000 0.975 386 G CA 1.026 46.183 45.100 0.096 0.000 0.644 386 G HN 0.841 nan 8.290 nan 0.000 0.537 387 K N -0.862 119.640 120.400 0.170 0.000 2.331 387 K HA 0.768 5.092 4.320 0.007 0.000 0.238 387 K C 0.015 176.777 176.600 0.270 0.000 1.058 387 K CA -1.173 55.252 56.287 0.231 0.000 0.871 387 K CB 1.606 34.222 32.500 0.193 0.000 1.292 387 K HN 0.092 nan 8.250 nan 0.000 0.470 388 I N 1.503 122.270 120.570 0.327 0.000 2.396 388 I HA 0.199 4.373 4.170 0.007 0.000 0.292 388 I C -0.168 176.129 176.117 0.301 0.000 0.999 388 I CA -0.517 60.965 61.300 0.303 0.000 1.310 388 I CB 1.537 39.719 38.000 0.304 0.000 1.404 388 I HN 0.604 nan 8.210 nan 0.000 0.496 389 A N 7.074 130.056 122.820 0.269 0.000 2.276 389 A HA 0.493 4.817 4.320 0.007 0.000 0.300 389 A C -0.705 177.023 177.584 0.239 0.000 1.235 389 A CA -0.431 51.774 52.037 0.281 0.000 0.867 389 A CB 0.594 19.812 19.000 0.364 0.000 1.137 389 A HN 0.593 nan 8.150 nan 0.000 0.527 390 L N 4.803 126.171 121.223 0.243 0.000 2.261 390 L HA 0.606 4.951 4.340 0.007 0.000 0.289 390 L C -0.777 176.231 176.870 0.230 0.000 1.059 390 L CA 0.151 55.135 54.840 0.239 0.000 0.816 390 L CB -0.009 42.222 42.059 0.287 0.000 1.191 390 L HN 0.559 nan 8.230 nan 0.000 0.431 391 I N 4.137 124.808 120.570 0.167 0.000 2.509 391 I HA 0.397 4.571 4.170 0.007 0.000 0.293 391 I C -0.135 175.869 176.117 -0.188 0.000 1.020 391 I CA -0.719 60.594 61.300 0.020 0.000 1.088 391 I CB 1.963 39.990 38.000 0.046 0.000 1.267 391 I HN 0.569 nan 8.210 nan 0.000 0.430 392 E N 6.034 126.014 120.200 -0.367 0.000 2.331 392 E HA 0.223 4.577 4.350 0.007 0.000 0.272 392 E C -0.174 176.203 176.600 -0.371 0.000 1.036 392 E CA -0.713 55.172 56.400 -0.859 0.000 0.864 392 E CB 1.241 30.588 29.700 -0.588 0.000 1.035 392 E HN 0.464 nan 8.360 nan 0.000 0.408 393 R N 2.319 122.626 120.500 -0.321 0.000 2.694 393 R HA 0.361 4.705 4.340 0.007 0.000 0.268 393 R C -0.255 176.023 176.300 -0.035 0.000 1.061 393 R CA 0.984 57.076 56.100 -0.013 0.000 1.133 393 R CB 0.385 30.771 30.300 0.144 0.000 1.020 393 R HN 0.720 nan 8.270 nan 0.000 0.475 394 G N 1.889 110.674 108.800 -0.024 0.000 2.402 394 G HA2 0.012 3.976 3.960 0.007 0.000 0.666 394 G HA3 0.012 3.976 3.960 0.007 0.000 0.666 394 G C -0.614 174.256 174.900 -0.051 0.000 1.402 394 G CA -0.260 44.817 45.100 -0.039 0.000 0.920 394 G HN 0.711 nan 8.290 nan 0.000 0.651 395 D N -1.930 118.442 120.400 -0.047 0.000 4.271 395 D HA -0.275 4.369 4.640 0.007 0.000 0.214 395 D C 1.295 177.562 176.300 -0.054 0.000 1.148 395 D CA 2.664 56.639 54.000 -0.041 0.000 2.322 395 D CB -1.127 39.658 40.800 -0.025 0.000 1.183 395 D HN 1.579 nan 8.370 nan 0.000 0.405 396 I N -0.600 119.936 120.570 -0.057 0.000 2.947 396 I HA 0.519 4.693 4.170 0.007 0.000 0.314 396 I C -0.079 175.968 176.117 -0.117 0.000 1.028 396 I CA -0.838 60.427 61.300 -0.058 0.000 1.077 396 I CB 1.329 39.321 38.000 -0.014 0.000 1.274 396 I HN -0.253 nan 8.210 nan 0.000 0.485 397 D N 1.655 121.992 120.400 -0.105 0.000 2.368 397 D HA 0.154 4.798 4.640 0.007 0.000 0.240 397 D C 0.742 177.000 176.300 -0.070 0.000 1.169 397 D CA 0.174 54.080 54.000 -0.157 0.000 0.906 397 D CB 0.627 41.386 40.800 -0.067 0.000 1.187 397 D HN 0.523 nan 8.370 nan 0.000 0.435 398 F N 0.456 120.436 119.950 0.050 0.000 2.102 398 F HA -0.261 4.270 4.527 0.007 0.000 0.298 398 F C 2.621 178.450 175.800 0.049 0.000 1.105 398 F CA 1.196 59.235 58.000 0.065 0.000 1.239 398 F CB -0.253 38.799 39.000 0.086 0.000 0.991 398 F HN 0.269 nan 8.300 nan 0.000 0.474 399 K N -0.284 120.247 120.400 0.218 0.000 2.074 399 K HA -0.206 4.118 4.320 0.007 0.000 0.209 399 K C 1.400 178.048 176.600 0.079 0.000 1.048 399 K CA 1.863 58.221 56.287 0.119 0.000 0.926 399 K CB -1.291 31.253 32.500 0.074 0.000 0.713 399 K HN 0.315 nan 8.250 nan 0.000 0.444 400 D N 1.099 121.540 120.400 0.068 0.000 2.097 400 D HA -0.039 4.605 4.640 0.007 0.000 0.197 400 D C 2.036 178.380 176.300 0.073 0.000 0.984 400 D CA 1.638 55.668 54.000 0.049 0.000 0.826 400 D CB -0.263 40.558 40.800 0.035 0.000 0.973 400 D HN 0.523 nan 8.370 nan 0.000 0.460 401 K N 0.444 120.918 120.400 0.123 0.000 2.063 401 K HA -0.105 4.219 4.320 0.007 0.000 0.208 401 K C 2.332 179.018 176.600 0.144 0.000 1.048 401 K CA 0.832 57.229 56.287 0.184 0.000 0.928 401 K CB -0.095 32.531 32.500 0.210 0.000 0.713 401 K HN 0.183 nan 8.250 nan 0.000 0.442 402 I N 0.844 121.481 120.570 0.111 0.000 2.252 402 I HA -0.243 3.931 4.170 0.007 0.000 0.245 402 I C 2.548 178.653 176.117 -0.021 0.000 1.102 402 I CA 0.994 62.328 61.300 0.057 0.000 1.385 402 I CB -0.400 37.639 38.000 0.065 0.000 1.064 402 I HN 0.151 nan 8.210 nan 0.000 0.414 403 A N 1.175 123.982 122.820 -0.022 0.000 1.902 403 A HA -0.209 4.115 4.320 0.007 0.000 0.217 403 A C 2.030 179.529 177.584 -0.142 0.000 1.181 403 A CA 1.928 53.928 52.037 -0.061 0.000 0.623 403 A CB -0.672 18.308 19.000 -0.035 0.000 0.818 403 A HN 0.406 nan 8.150 nan 0.000 0.443 404 N N 0.632 119.226 118.700 -0.178 0.000 2.166 404 N HA -0.094 4.650 4.740 0.007 0.000 0.186 404 N C 1.801 176.795 175.510 -0.860 0.000 1.019 404 N CA 1.575 54.387 53.050 -0.397 0.000 0.856 404 N CB -0.611 37.728 38.487 -0.247 0.000 0.993 404 N HN 0.482 nan 8.380 nan 0.000 0.426 405 A N 0.973 123.363 122.820 -0.716 0.000 1.898 405 A HA -0.134 4.190 4.320 0.007 0.000 0.216 405 A C 2.197 179.589 177.584 -0.321 0.000 1.181 405 A CA 1.612 53.276 52.037 -0.621 0.000 0.620 405 A CB -0.398 18.559 19.000 -0.073 0.000 0.819 405 A HN 0.183 nan 8.150 nan 0.000 0.442 406 K N 0.275 120.550 120.400 -0.210 0.000 2.057 406 K HA -0.128 4.196 4.320 0.007 0.000 0.207 406 K C 2.183 178.701 176.600 -0.137 0.000 1.049 406 K CA 2.481 58.691 56.287 -0.127 0.000 0.931 406 K CB -0.657 31.788 32.500 -0.092 0.000 0.714 406 K HN 0.347 nan 8.250 nan 0.000 0.440 407 K N 0.284 120.575 120.400 -0.183 0.000 2.074 407 K HA -0.024 4.300 4.320 0.007 0.000 0.209 407 K C 2.133 178.654 176.600 -0.132 0.000 1.048 407 K CA 1.855 58.054 56.287 -0.146 0.000 0.926 407 K CB -1.398 31.006 32.500 -0.160 0.000 0.713 407 K HN 0.442 nan 8.250 nan 0.000 0.444 408 A N -0.602 122.096 122.820 -0.203 0.000 2.252 408 A HA 0.449 4.773 4.320 0.007 0.000 0.207 408 A C 2.010 179.575 177.584 -0.032 0.000 1.194 408 A CA 1.092 53.068 52.037 -0.101 0.000 0.809 408 A CB -0.935 18.006 19.000 -0.098 0.000 0.814 408 A HN 1.713 nan 8.150 nan 0.000 0.482 409 G N -1.905 106.869 108.800 -0.043 0.000 2.159 409 G HA2 0.048 4.012 3.960 0.007 0.000 0.256 409 G HA3 0.048 4.012 3.960 0.007 0.000 0.256 409 G C 0.521 175.436 174.900 0.025 0.000 0.977 409 G CA 0.348 45.445 45.100 -0.004 0.000 0.652 409 G HN 1.655 nan 8.290 nan 0.000 0.531 410 A N -0.723 122.112 122.820 0.024 0.000 2.507 410 A HA 0.595 4.919 4.320 0.007 0.000 0.235 410 A C 1.575 179.200 177.584 0.069 0.000 1.070 410 A CA 0.892 52.977 52.037 0.079 0.000 0.768 410 A CB 1.080 20.138 19.000 0.096 0.000 1.011 410 A HN 1.447 nan 8.150 nan 0.000 0.502 411 V N 1.445 121.431 119.914 0.120 0.000 3.590 411 V HA 0.504 4.628 4.120 0.007 0.000 0.265 411 V C 0.854 176.988 176.094 0.067 0.000 1.239 411 V CA 1.608 63.978 62.300 0.117 0.000 1.117 411 V CB -0.436 31.518 31.823 0.219 0.000 0.818 411 V HN 1.468 nan 8.190 nan 0.000 0.451 412 G N -1.131 107.723 108.800 0.091 0.000 2.559 412 G HA2 0.545 4.509 3.960 0.007 0.000 0.291 412 G HA3 0.545 4.509 3.960 0.007 0.000 0.291 412 G C -2.071 172.927 174.900 0.163 0.000 1.424 412 G CA -0.100 45.028 45.100 0.046 0.000 0.786 412 G HN 0.174 nan 8.290 nan 0.000 0.485 413 V N 0.146 120.189 119.914 0.216 0.000 2.760 413 V HA 0.624 4.748 4.120 0.007 0.000 0.309 413 V C -0.628 175.618 176.094 0.252 0.000 1.077 413 V CA -0.610 61.819 62.300 0.215 0.000 0.910 413 V CB 1.900 33.810 31.823 0.144 0.000 1.008 413 V HN 0.660 nan 8.190 nan 0.000 0.424 414 L N 5.301 126.628 121.223 0.173 0.000 2.342 414 L HA 0.607 4.951 4.340 0.007 0.000 0.276 414 L C -0.939 175.972 176.870 0.069 0.000 0.997 414 L CA -0.239 54.660 54.840 0.099 0.000 0.838 414 L CB 1.716 43.786 42.059 0.019 0.000 1.224 414 L HN 0.499 nan 8.230 nan 0.000 0.416 415 I N 4.002 124.560 120.570 -0.020 0.000 2.362 415 I HA 0.272 4.446 4.170 0.007 0.000 0.289 415 I C -0.694 175.209 176.117 -0.357 0.000 0.994 415 I CA -0.776 60.449 61.300 -0.124 0.000 1.158 415 I CB 1.227 39.167 38.000 -0.101 0.000 1.315 415 I HN 0.435 nan 8.210 nan 0.000 0.451 416 Y N 3.744 123.857 120.300 -0.311 0.000 2.387 416 Y HA 0.534 5.088 4.550 0.007 0.000 0.330 416 Y C -0.013 175.694 175.900 -0.323 0.000 1.133 416 Y CA -1.352 56.509 58.100 -0.399 0.000 1.152 416 Y CB 0.518 38.859 38.460 -0.200 0.000 1.215 416 Y HN 0.415 nan 8.280 nan 0.000 0.466 417 D N 1.639 121.913 120.400 -0.210 0.000 2.419 417 D HA -0.070 4.574 4.640 0.007 0.000 0.236 417 D C 0.447 176.807 176.300 0.100 0.000 1.165 417 D CA 0.342 54.374 54.000 0.052 0.000 0.882 417 D CB 0.601 41.558 40.800 0.261 0.000 1.201 417 D HN 0.888 nan 8.370 nan 0.000 0.443 418 N N 0.998 119.768 118.700 0.116 0.000 2.204 418 N HA -0.028 4.717 4.740 0.007 0.000 0.219 418 N C -0.427 175.150 175.510 0.113 0.000 1.151 418 N CA -0.121 52.984 53.050 0.091 0.000 0.867 418 N CB 0.419 38.936 38.487 0.049 0.000 1.043 418 N HN 0.363 nan 8.380 nan 0.000 0.516 419 Q N 0.184 120.068 119.800 0.139 0.000 2.345 419 Q HA 0.339 4.683 4.340 0.007 0.000 0.268 419 Q C -1.256 174.802 176.000 0.096 0.000 1.054 419 Q CA -0.818 55.056 55.803 0.118 0.000 0.835 419 Q CB 1.850 30.672 28.738 0.141 0.000 1.339 419 Q HN 0.139 nan 8.270 nan 0.000 0.447 420 D N 2.073 122.512 120.400 0.065 0.000 2.255 420 D HA 0.096 4.740 4.640 0.007 0.000 0.249 420 D C -0.277 176.027 176.300 0.008 0.000 1.078 420 D CA -0.126 53.897 54.000 0.040 0.000 0.896 420 D CB 0.937 41.756 40.800 0.032 0.000 1.194 420 D HN 0.451 nan 8.370 nan 0.000 0.429 421 K N 0.329 120.718 120.400 -0.018 0.000 3.148 421 K HA -0.151 4.173 4.320 0.007 0.000 0.267 421 K C 0.538 177.018 176.600 -0.200 0.000 0.996 421 K CA 0.344 56.580 56.287 -0.085 0.000 0.737 421 K CB -1.286 31.175 32.500 -0.065 0.000 1.308 421 K HN 0.634 nan 8.250 nan 0.000 0.470 422 G N -0.107 108.616 108.800 -0.129 0.000 2.532 422 G HA2 0.641 4.605 3.960 0.007 0.000 0.291 422 G HA3 0.641 4.605 3.960 0.007 0.000 0.291 422 G C -0.447 174.259 174.900 -0.323 0.000 1.349 422 G CA -0.777 44.226 45.100 -0.161 0.000 1.038 422 G HN 0.124 nan 8.290 nan 0.000 0.518 423 F N -0.596 119.419 119.950 0.109 0.000 2.538 423 F HA 0.459 4.990 4.527 0.007 0.000 0.325 423 F C -2.038 173.725 175.800 -0.062 0.000 1.066 423 F CA -2.025 56.002 58.000 0.046 0.000 0.946 423 F CB 2.212 41.225 39.000 0.023 0.000 1.199 423 F HN 0.102 nan 8.300 nan 0.000 0.473 424 P HA 0.146 nan 4.420 nan 0.000 0.271 424 P C -0.856 176.163 177.300 -0.467 0.000 1.216 424 P CA 0.077 63.072 63.100 -0.175 0.000 0.771 424 P CB 0.459 32.189 31.700 0.049 0.000 0.864 425 I N 1.936 121.804 120.570 -1.170 0.000 2.404 425 I HA 0.243 4.417 4.170 0.007 0.000 0.293 425 I C 0.736 176.592 176.117 -0.436 0.000 0.992 425 I CA -0.954 59.931 61.300 -0.690 0.000 1.149 425 I CB 1.210 38.792 38.000 -0.697 0.000 1.315 425 I HN 0.421 nan 8.210 nan 0.000 0.446 426 E N 6.474 126.549 120.200 -0.208 0.000 2.265 426 E HA 0.212 4.566 4.350 0.007 0.000 0.272 426 E C -0.870 175.658 176.600 -0.119 0.000 1.067 426 E CA -0.342 55.988 56.400 -0.116 0.000 0.900 426 E CB 0.596 30.251 29.700 -0.075 0.000 1.017 426 E HN 0.429 nan 8.360 nan 0.000 0.431 427 L N 7.008 128.163 121.223 -0.113 0.000 2.436 427 L HA 0.320 4.665 4.340 0.007 0.000 0.265 427 L C -1.661 175.198 176.870 -0.019 0.000 1.168 427 L CA -1.967 52.797 54.840 -0.125 0.000 0.815 427 L CB 0.416 42.407 42.059 -0.113 0.000 1.109 427 L HN 0.552 nan 8.230 nan 0.000 0.462 428 P HA -0.026 nan 4.420 nan 0.000 0.272 428 P C -1.070 176.241 177.300 0.018 0.000 1.223 428 P CA -0.379 62.749 63.100 0.046 0.000 0.784 428 P CB 0.602 32.358 31.700 0.092 0.000 0.923 429 N N 2.172 120.874 118.700 0.003 0.000 2.469 429 N HA 0.127 4.871 4.740 0.007 0.000 0.239 429 N C -1.084 174.419 175.510 -0.011 0.000 1.053 429 N CA -0.292 52.750 53.050 -0.014 0.000 0.937 429 N CB -0.303 38.171 38.487 -0.021 0.000 1.163 429 N HN 0.007 nan 8.380 nan 0.000 0.509 430 V N 3.849 123.755 119.914 -0.013 0.000 2.288 430 V HA 0.123 4.247 4.120 0.007 0.000 0.266 430 V C 0.375 176.451 176.094 -0.030 0.000 1.048 430 V CA -0.646 61.646 62.300 -0.013 0.000 0.842 430 V CB 0.186 32.008 31.823 -0.001 0.000 1.064 430 V HN 0.752 nan 8.190 nan 0.000 0.472 431 D N 4.681 125.063 120.400 -0.030 0.000 2.686 431 D HA -0.233 4.411 4.640 0.007 0.000 0.235 431 D C 1.137 177.407 176.300 -0.049 0.000 1.160 431 D CA 1.115 55.093 54.000 -0.037 0.000 0.645 431 D CB -0.339 40.440 40.800 -0.035 0.000 1.039 431 D HN 0.799 nan 8.370 nan 0.000 0.423 432 Q N -3.309 116.458 119.800 -0.055 0.000 2.305 432 Q HA -0.286 4.058 4.340 0.007 0.000 0.203 432 Q C 0.472 176.406 176.000 -0.110 0.000 0.663 432 Q CA 1.526 57.284 55.803 -0.075 0.000 1.389 432 Q CB -1.982 26.715 28.738 -0.067 0.000 1.566 432 Q HN 0.693 nan 8.270 nan 0.000 0.755 433 M N 2.548 122.086 119.600 -0.103 0.000 2.269 433 M HA 0.163 4.648 4.480 0.007 0.000 0.350 433 M C -2.188 173.980 176.300 -0.220 0.000 1.429 433 M CA -1.163 54.055 55.300 -0.137 0.000 1.063 433 M CB 0.575 33.123 32.600 -0.087 0.000 1.841 433 M HN -0.249 nan 8.290 nan 0.000 0.455 434 P HA 0.314 nan 4.420 nan 0.000 0.271 434 P C -1.649 175.359 177.300 -0.487 0.000 1.233 434 P CA 0.008 62.648 63.100 -0.766 0.000 0.764 434 P CB 0.595 31.378 31.700 -1.528 0.000 0.825 435 A N 3.134 125.851 122.820 -0.171 0.000 2.408 435 A HA 0.757 5.081 4.320 0.007 0.000 0.295 435 A C -1.032 176.699 177.584 0.246 0.000 1.040 435 A CA -0.589 51.514 52.037 0.110 0.000 0.707 435 A CB 1.424 20.448 19.000 0.039 0.000 1.235 435 A HN 0.461 nan 8.150 nan 0.000 0.418 436 A N 1.611 124.627 122.820 0.326 0.000 2.365 436 A HA 0.796 5.120 4.320 0.007 0.000 0.318 436 A C -1.116 176.571 177.584 0.172 0.000 1.091 436 A CA -0.451 51.745 52.037 0.264 0.000 0.763 436 A CB 0.837 20.003 19.000 0.276 0.000 1.248 436 A HN 1.340 nan 8.150 nan 0.000 0.442 437 F N 3.059 123.026 119.950 0.027 0.000 2.420 437 F HA 0.721 5.253 4.527 0.007 0.000 0.342 437 F C -0.051 175.766 175.800 0.028 0.000 1.113 437 F CA -0.581 57.413 58.000 -0.010 0.000 1.059 437 F CB 0.924 39.883 39.000 -0.068 0.000 1.128 437 F HN 0.632 nan 8.300 nan 0.000 0.475 438 I N 1.646 122.061 120.570 -0.258 0.000 3.042 438 I HA 0.611 4.785 4.170 0.007 0.000 0.310 438 I C -0.542 175.511 176.117 -0.107 0.000 1.117 438 I CA -1.037 60.227 61.300 -0.059 0.000 1.003 438 I CB 1.925 39.873 38.000 -0.087 0.000 1.228 438 I HN 0.553 nan 8.210 nan 0.000 0.443 439 S N 2.123 117.847 115.700 0.040 0.000 2.600 439 S HA 0.253 4.728 4.470 0.007 0.000 0.265 439 S C 1.015 175.641 174.600 0.044 0.000 1.325 439 S CA -0.197 58.048 58.200 0.076 0.000 1.002 439 S CB 1.388 64.623 63.200 0.059 0.000 0.921 439 S HN 0.942 nan 8.310 nan 0.000 0.554 440 R N 0.847 121.403 120.500 0.094 0.000 2.073 440 R HA -0.121 4.223 4.340 0.007 0.000 0.234 440 R C 2.493 178.784 176.300 -0.014 0.000 1.134 440 R CA 1.793 57.973 56.100 0.134 0.000 0.952 440 R CB -0.739 29.645 30.300 0.141 0.000 0.850 440 R HN 0.651 nan 8.270 nan 0.000 0.433 441 K N 0.642 121.029 120.400 -0.022 0.000 2.074 441 K HA -0.160 4.164 4.320 0.007 0.000 0.209 441 K C 1.521 178.053 176.600 -0.113 0.000 1.048 441 K CA 2.196 58.446 56.287 -0.062 0.000 0.926 441 K CB -0.650 31.828 32.500 -0.037 0.000 0.713 441 K HN 0.469 nan 8.250 nan 0.000 0.444 442 D N -0.883 119.453 120.400 -0.107 0.000 2.144 442 D HA -0.014 4.630 4.640 0.007 0.000 0.200 442 D C 2.024 178.178 176.300 -0.243 0.000 0.978 442 D CA 1.512 55.426 54.000 -0.144 0.000 0.833 442 D CB -0.614 40.119 40.800 -0.112 0.000 0.961 442 D HN 0.564 nan 8.370 nan 0.000 0.470 443 G N 1.133 109.746 108.800 -0.312 0.000 2.418 443 G HA2 -0.183 3.781 3.960 0.007 0.000 0.217 443 G HA3 -0.183 3.781 3.960 0.007 0.000 0.217 443 G C 1.818 176.231 174.900 -0.812 0.000 1.158 443 G CA 0.205 44.900 45.100 -0.675 0.000 0.771 443 G HN 0.234 nan 8.290 nan 0.000 0.545 444 L N 0.042 120.899 121.223 -0.609 0.000 2.131 444 L HA 0.037 4.382 4.340 0.007 0.000 0.210 444 L C 2.720 179.422 176.870 -0.280 0.000 1.092 444 L CA 0.478 55.066 54.840 -0.420 0.000 0.759 444 L CB -0.401 41.517 42.059 -0.236 0.000 0.903 444 L HN 0.235 nan 8.230 nan 0.000 0.435 445 L N -0.190 120.896 121.223 -0.228 0.000 2.056 445 L HA -0.209 4.136 4.340 0.007 0.000 0.207 445 L C 2.476 179.263 176.870 -0.138 0.000 1.078 445 L CA 1.330 56.078 54.840 -0.153 0.000 0.749 445 L CB -0.029 41.954 42.059 -0.127 0.000 0.901 445 L HN 0.192 nan 8.230 nan 0.000 0.433 446 L N -0.048 121.059 121.223 -0.194 0.000 2.056 446 L HA -0.232 4.112 4.340 0.007 0.000 0.207 446 L C 2.674 179.538 176.870 -0.009 0.000 1.078 446 L CA 1.440 56.201 54.840 -0.132 0.000 0.749 446 L CB -0.564 41.265 42.059 -0.383 0.000 0.901 446 L HN 0.310 nan 8.230 nan 0.000 0.433 447 K N 0.268 120.563 120.400 -0.174 0.000 2.044 447 K HA -0.197 4.128 4.320 0.007 0.000 0.210 447 K C 0.572 177.090 176.600 -0.136 0.000 1.049 447 K CA 1.812 57.977 56.287 -0.203 0.000 0.927 447 K CB 0.081 32.313 32.500 -0.446 0.000 0.713 447 K HN 0.281 nan 8.250 nan 0.000 0.443 448 D N 0.494 120.819 120.400 -0.126 0.000 2.615 448 D HA 0.023 4.667 4.640 0.007 0.000 0.236 448 D C -0.738 175.535 176.300 -0.044 0.000 1.233 448 D CA -0.040 53.908 54.000 -0.087 0.000 0.829 448 D CB -0.073 40.668 40.800 -0.098 0.000 1.024 448 D HN 0.153 nan 8.370 nan 0.000 0.490 449 N N 0.328 119.026 118.700 -0.003 0.000 2.438 449 N HA 0.268 5.012 4.740 0.007 0.000 0.282 449 N C 1.332 176.842 175.510 0.000 0.000 1.037 449 N CA -0.038 53.021 53.050 0.014 0.000 0.942 449 N CB 1.249 39.777 38.487 0.068 0.000 1.136 449 N HN -0.025 nan 8.380 nan 0.000 0.481 450 S N 3.031 118.722 115.700 -0.014 0.000 2.378 450 S HA -0.109 4.365 4.470 0.007 0.000 0.221 450 S C 1.239 175.813 174.600 -0.043 0.000 1.037 450 S CA 2.054 60.238 58.200 -0.027 0.000 1.069 450 S CB -1.063 nan 63.200 nan 0.000 1.006 450 S HN 0.792 nan 8.310 nan 0.000 0.423 451 K N 2.529 122.911 120.400 -0.030 0.000 2.167 451 K HA 0.380 4.704 4.320 0.007 0.000 0.275 451 K C -0.206 176.352 176.600 -0.070 0.000 1.103 451 K CA -0.277 55.985 56.287 -0.042 0.000 0.963 451 K CB -0.886 nan 32.500 nan 0.000 1.243 451 K HN 0.552 nan 8.250 nan 0.000 0.407 452 K N 2.315 122.581 120.400 -0.223 0.000 2.480 452 K HA 0.103 4.427 4.320 0.007 0.000 0.241 452 K C -0.595 175.690 176.600 -0.524 0.000 1.261 452 K CA -0.012 55.876 56.287 -0.665 0.000 1.193 452 K CB -0.123 31.797 32.500 -0.967 0.000 1.598 452 K HN 0.585 nan 8.250 nan 0.000 0.278 453 T N 1.516 116.055 114.554 -0.026 0.000 2.916 453 T HA 0.495 4.849 4.350 0.007 0.000 0.298 453 T C -1.003 173.851 174.700 0.257 0.000 1.031 453 T CA -0.604 61.579 62.100 0.138 0.000 0.993 453 T CB 1.650 70.558 68.868 0.066 0.000 1.045 453 T HN 0.330 nan 8.240 nan 0.000 0.454 454 I N 1.750 122.485 120.570 0.275 0.000 2.769 454 I HA 0.645 4.819 4.170 0.007 0.000 0.298 454 I C -1.139 175.040 176.117 0.104 0.000 1.128 454 I CA -0.343 61.016 61.300 0.097 0.000 1.031 454 I CB 2.208 40.172 38.000 -0.060 0.000 1.235 454 I HN 0.564 nan 8.210 nan 0.000 0.423 455 T N 6.134 120.666 114.554 -0.036 0.000 2.876 455 T HA 0.540 4.894 4.350 0.007 0.000 0.289 455 T C -0.932 173.696 174.700 -0.119 0.000 1.014 455 T CA -0.226 61.922 62.100 0.079 0.000 0.986 455 T CB 1.048 69.969 68.868 0.088 0.000 1.021 455 T HN 0.209 nan 8.240 nan 0.000 0.458 456 F N 2.279 122.257 119.950 0.046 0.000 2.420 456 F HA 0.439 4.970 4.527 0.007 0.000 0.342 456 F C 0.920 176.744 175.800 0.039 0.000 1.113 456 F CA -0.903 57.088 58.000 -0.014 0.000 1.059 456 F CB 0.884 39.852 39.000 -0.053 0.000 1.128 456 F HN 0.475 nan 8.300 nan 0.000 0.475 457 N N 0.897 119.686 118.700 0.148 0.000 2.508 457 N HA 0.530 5.274 4.740 0.007 0.000 0.285 457 N C 0.362 175.945 175.510 0.122 0.000 1.144 457 N CA -0.355 52.760 53.050 0.109 0.000 0.978 457 N CB 1.455 39.974 38.487 0.054 0.000 1.180 457 N HN 0.679 nan 8.380 nan 0.000 0.484 458 A N 0.426 123.299 122.820 0.089 0.000 1.984 458 A HA 0.055 4.380 4.320 0.007 0.000 0.214 458 A C 0.601 178.211 177.584 0.042 0.000 1.173 458 A CA 0.668 52.746 52.037 0.068 0.000 0.673 458 A CB -0.101 18.926 19.000 0.045 0.000 0.830 458 A HN 0.603 nan 8.150 nan 0.000 0.453 459 T N 3.563 118.140 114.554 0.038 0.000 2.729 459 T HA 0.438 4.792 4.350 0.007 0.000 0.296 459 T C -2.426 172.326 174.700 0.086 0.000 0.928 459 T CA -0.959 61.162 62.100 0.034 0.000 1.045 459 T CB 1.219 70.106 68.868 0.032 0.000 0.902 459 T HN 0.292 nan 8.240 nan 0.000 0.500 460 P HA 0.381 nan 4.420 nan 0.000 0.276 460 P C -0.765 176.633 177.300 0.163 0.000 1.252 460 P CA -0.661 62.523 63.100 0.140 0.000 0.802 460 P CB 1.002 32.796 31.700 0.156 0.000 1.035 461 K N -0.954 119.503 120.400 0.095 0.000 2.555 461 K HA 0.482 4.806 4.320 0.007 0.000 0.279 461 K C -1.343 175.271 176.600 0.023 0.000 0.986 461 K CA -1.095 55.227 56.287 0.060 0.000 0.880 461 K CB 1.024 33.555 32.500 0.051 0.000 1.474 461 K HN 0.047 nan 8.250 nan 0.000 0.433 462 V N 2.534 122.447 119.914 -0.002 0.000 2.488 462 V HA 0.307 4.431 4.120 0.007 0.000 0.277 462 V C -0.139 175.957 176.094 0.002 0.000 1.046 462 V CA -0.234 62.061 62.300 -0.008 0.000 0.986 462 V CB 0.194 32.002 31.823 -0.025 0.000 0.989 462 V HN 0.516 nan 8.190 nan 0.000 0.475 463 L N 6.689 127.917 121.223 0.008 0.000 2.376 463 L HA 0.589 4.933 4.340 0.007 0.000 0.258 463 L C -2.403 174.475 176.870 0.012 0.000 1.013 463 L CA -2.040 52.805 54.840 0.008 0.000 0.822 463 L CB 3.106 45.169 42.059 0.008 0.000 1.388 463 L HN 0.386 nan 8.230 nan 0.000 0.413 464 P HA 0.060 nan 4.420 nan 0.000 0.270 464 P C -0.740 176.572 177.300 0.020 0.000 1.223 464 P CA -0.140 62.970 63.100 0.016 0.000 0.785 464 P CB 0.475 32.182 31.700 0.011 0.000 0.923 465 T N -2.491 112.078 114.554 0.025 0.000 2.907 465 T HA 0.492 4.847 4.350 0.007 0.000 0.284 465 T C 1.387 176.091 174.700 0.007 0.000 1.004 465 T CA -0.371 61.745 62.100 0.027 0.000 1.063 465 T CB 1.207 70.100 68.868 0.041 0.000 0.992 465 T HN 0.397 nan 8.240 nan 0.000 0.483 466 A N 1.846 124.665 122.820 -0.001 0.000 2.015 466 A HA 0.010 4.334 4.320 0.007 0.000 0.219 466 A C 2.473 180.010 177.584 -0.079 0.000 1.163 466 A CA 1.464 53.488 52.037 -0.022 0.000 0.646 466 A CB -1.129 17.873 19.000 0.004 0.000 0.806 466 A HN 1.069 nan 8.150 nan 0.000 0.448 467 S N -1.369 114.242 115.700 -0.150 0.000 2.436 467 S HA 0.037 4.512 4.470 0.007 0.000 0.228 467 S C 0.730 175.277 174.600 -0.088 0.000 1.014 467 S CA 0.660 58.697 58.200 -0.273 0.000 0.950 467 S CB -0.255 62.584 63.200 -0.602 0.000 0.784 467 S HN 0.620 nan 8.310 nan 0.000 0.504 468 D N 0.211 120.604 120.400 -0.011 0.000 4.160 468 D HA -0.169 4.476 4.640 0.007 0.000 0.291 468 D C -1.041 175.321 176.300 0.105 0.000 2.226 468 D CA 1.577 55.606 54.000 0.049 0.000 1.157 468 D CB -1.191 39.641 40.800 0.053 0.000 1.020 468 D HN 0.353 nan 8.370 nan 0.000 1.219 469 T N 2.007 116.650 114.554 0.149 0.000 2.751 469 T HA 0.389 4.743 4.350 0.007 0.000 0.290 469 T C 0.320 175.157 174.700 0.228 0.000 0.919 469 T CA 0.556 62.786 62.100 0.216 0.000 1.136 469 T CB 0.262 69.247 68.868 0.194 0.000 0.875 469 T HN 0.416 nan 8.240 nan 0.000 0.532 470 K N 3.401 123.933 120.400 0.219 0.000 2.557 470 K HA 0.397 4.721 4.320 0.007 0.000 0.261 470 K C -1.244 175.350 176.600 -0.009 0.000 0.932 470 K CA -0.856 55.496 56.287 0.108 0.000 0.829 470 K CB 1.526 34.166 32.500 0.234 0.000 1.358 470 K HN 0.293 nan 8.250 nan 0.000 0.430 471 L N 2.396 123.314 121.223 -0.509 0.000 2.416 471 L HA 0.170 4.514 4.340 0.007 0.000 0.272 471 L C 0.079 176.789 176.870 -0.267 0.000 1.161 471 L CA 0.443 55.040 54.840 -0.404 0.000 0.845 471 L CB 1.353 43.034 42.059 -0.631 0.000 1.119 471 L HN 0.588 nan 8.230 nan 0.000 0.464 472 S N 2.251 117.627 115.700 -0.540 0.000 2.549 472 S HA 0.002 4.476 4.470 0.007 0.000 0.286 472 S C 1.170 175.292 174.600 -0.797 0.000 1.314 472 S CA -0.442 57.098 58.200 -1.100 0.000 1.062 472 S CB 0.859 63.058 63.200 -1.668 0.000 0.865 472 S HN 0.524 nan 8.310 nan 0.000 0.498 473 R N 2.465 122.578 120.500 -0.645 0.000 2.127 473 R HA -0.125 4.219 4.340 0.007 0.000 0.238 473 R C 1.551 177.800 176.300 -0.084 0.000 1.134 473 R CA 1.835 57.850 56.100 -0.141 0.000 0.975 473 R CB -0.657 29.684 30.300 0.069 0.000 0.865 473 R HN 0.793 nan 8.270 nan 0.000 0.447 474 F N -1.490 118.427 119.950 -0.054 0.000 2.615 474 F HA 0.346 4.877 4.527 0.007 0.000 0.297 474 F C 0.867 176.681 175.800 0.023 0.000 1.124 474 F CA -0.350 57.649 58.000 -0.001 0.000 1.451 474 F CB -1.069 37.907 39.000 -0.041 0.000 1.103 474 F HN -0.155 nan 8.300 nan 0.000 0.569 475 S N 1.390 116.960 115.700 -0.217 0.000 2.544 475 S HA 0.081 4.555 4.470 0.007 0.000 0.290 475 S C 0.455 175.103 174.600 0.079 0.000 1.276 475 S CA -0.367 57.806 58.200 -0.046 0.000 1.075 475 S CB -0.127 62.911 63.200 -0.271 0.000 0.849 475 S HN 0.376 nan 8.310 nan 0.000 0.494 476 S N 4.613 120.385 115.700 0.121 0.000 2.533 476 S HA 0.150 4.624 4.470 0.007 0.000 0.282 476 S C -0.361 174.329 174.600 0.151 0.000 1.304 476 S CA -0.171 58.130 58.200 0.168 0.000 1.063 476 S CB 0.033 63.296 63.200 0.105 0.000 0.881 476 S HN 0.659 nan 8.310 nan 0.000 0.493 477 W N 1.840 123.174 121.300 0.056 0.000 2.303 477 W HA 0.557 5.221 4.660 0.007 0.000 0.334 477 W C 0.943 177.458 176.519 -0.008 0.000 1.197 477 W CA -0.346 57.025 57.345 0.044 0.000 1.262 477 W CB 0.304 29.858 29.460 0.156 0.000 1.153 477 W HN 0.769 nan 8.180 nan 0.000 0.596 478 G N 1.293 110.177 108.800 0.141 0.000 2.525 478 G HA2 0.552 4.516 3.960 0.007 0.000 0.287 478 G HA3 0.552 4.516 3.960 0.007 0.000 0.287 478 G C -0.603 174.290 174.900 -0.011 0.000 1.350 478 G CA -0.920 44.189 45.100 0.015 0.000 1.039 478 G HN 0.441 nan 8.290 nan 0.000 0.513 479 L N -0.282 120.893 121.223 -0.081 0.000 2.468 479 L HA 0.331 4.675 4.340 0.007 0.000 0.254 479 L C 1.548 178.425 176.870 0.012 0.000 1.171 479 L CA -0.751 54.042 54.840 -0.079 0.000 0.809 479 L CB 0.657 42.650 42.059 -0.110 0.000 1.155 479 L HN 0.704 nan 8.230 nan 0.000 0.473 480 T N -2.158 112.396 114.554 -0.001 0.000 2.766 480 T HA 0.239 4.593 4.350 0.007 0.000 0.295 480 T C 1.182 175.934 174.700 0.088 0.000 1.024 480 T CA -0.141 61.981 62.100 0.037 0.000 1.018 480 T CB 1.112 69.990 68.868 0.017 0.000 1.002 480 T HN 0.649 nan 8.240 nan 0.000 0.532 481 A N 1.354 124.236 122.820 0.102 0.000 1.948 481 A HA -0.137 4.187 4.320 0.007 0.000 0.220 481 A C 1.860 179.524 177.584 0.133 0.000 1.177 481 A CA 1.949 54.060 52.037 0.123 0.000 0.636 481 A CB -1.024 18.047 19.000 0.118 0.000 0.815 481 A HN 1.000 nan 8.150 nan 0.000 0.449 482 D N -2.236 118.237 120.400 0.123 0.000 2.336 482 D HA 0.306 4.950 4.640 0.007 0.000 0.228 482 D C 1.023 177.405 176.300 0.137 0.000 1.120 482 D CA 0.761 54.836 54.000 0.125 0.000 0.839 482 D CB -0.611 40.258 40.800 0.115 0.000 0.932 482 D HN 0.860 nan 8.370 nan 0.000 0.509 483 G N 0.189 109.078 108.800 0.149 0.000 2.157 483 G HA2 -0.272 3.692 3.960 0.007 0.000 0.248 483 G HA3 -0.272 3.692 3.960 0.007 0.000 0.248 483 G C 0.044 174.988 174.900 0.074 0.000 0.979 483 G CA -0.208 44.980 45.100 0.146 0.000 0.650 483 G HN 0.414 nan 8.290 nan 0.000 0.529 484 N N 0.067 118.777 118.700 0.016 0.000 2.483 484 N HA 0.446 5.190 4.740 0.007 0.000 0.269 484 N C 0.738 176.131 175.510 -0.195 0.000 1.209 484 N CA -0.254 52.760 53.050 -0.060 0.000 0.969 484 N CB 0.691 39.145 38.487 -0.056 0.000 1.173 484 N HN 0.284 nan 8.380 nan 0.000 0.475 485 I N 1.635 122.040 120.570 -0.275 0.000 2.452 485 I HA 0.111 4.285 4.170 0.007 0.000 0.287 485 I C 0.458 176.461 176.117 -0.190 0.000 1.079 485 I CA 0.265 61.390 61.300 -0.292 0.000 1.387 485 I CB 0.212 38.019 38.000 -0.321 0.000 1.404 485 I HN 0.067 nan 8.210 nan 0.000 0.522 486 K N 7.664 127.962 120.400 -0.171 0.000 2.551 486 K HA 0.508 4.832 4.320 0.007 0.000 0.269 486 K C -2.663 173.858 176.600 -0.132 0.000 0.949 486 K CA -1.555 54.653 56.287 -0.131 0.000 0.849 486 K CB 2.648 35.087 32.500 -0.102 0.000 1.411 486 K HN 0.158 nan 8.250 nan 0.000 0.432 487 P HA 0.189 nan 4.420 nan 0.000 0.277 487 P C -0.329 176.906 177.300 -0.108 0.000 1.276 487 P CA 0.031 63.066 63.100 -0.109 0.000 0.788 487 P CB 0.984 32.621 31.700 -0.105 0.000 1.114 488 D N -0.997 119.351 120.400 -0.087 0.000 2.380 488 D HA 0.260 4.904 4.640 0.007 0.000 0.212 488 D C 0.785 177.059 176.300 -0.044 0.000 1.021 488 D CA 0.663 54.621 54.000 -0.070 0.000 0.884 488 D CB 0.931 41.689 40.800 -0.070 0.000 1.001 488 D HN 0.286 nan 8.370 nan 0.000 0.506 489 I N -0.639 119.905 120.570 -0.043 0.000 3.099 489 I HA 0.468 4.642 4.170 0.007 0.000 0.308 489 I C -1.986 174.116 176.117 -0.026 0.000 1.405 489 I CA -0.812 60.473 61.300 -0.025 0.000 0.953 489 I CB 2.077 40.069 38.000 -0.014 0.000 1.324 489 I HN -0.147 nan 8.210 nan 0.000 0.495 490 A N 3.075 125.887 122.820 -0.013 0.000 2.423 490 A HA 1.026 5.350 4.320 0.007 0.000 0.304 490 A C -1.313 176.365 177.584 0.158 0.000 1.104 490 A CA -0.003 52.056 52.037 0.038 0.000 0.757 490 A CB 1.789 20.773 19.000 -0.026 0.000 1.313 490 A HN 1.200 nan 8.150 nan 0.000 0.423 491 A N 0.858 123.824 122.820 0.244 0.000 2.609 491 A HA 0.862 5.186 4.320 0.007 0.000 0.291 491 A C -3.201 174.388 177.584 0.008 0.000 1.096 491 A CA -1.616 50.557 52.037 0.226 0.000 0.684 491 A CB 1.021 20.076 19.000 0.092 0.000 1.282 491 A HN 0.477 nan 8.150 nan 0.000 0.412 492 P HA 0.263 nan 4.420 nan 0.000 0.263 492 P C 0.656 177.857 177.300 -0.165 0.000 1.195 492 P CA 0.911 63.761 63.100 -0.417 0.000 0.762 492 P CB 0.741 32.256 31.700 -0.309 0.000 0.799 493 G N 2.333 111.052 108.800 -0.134 0.000 4.008 493 G HA2 0.019 3.983 3.960 0.007 0.000 0.278 493 G HA3 0.019 3.983 3.960 0.007 0.000 0.278 493 G C -0.191 174.757 174.900 0.080 0.000 1.021 493 G CA -0.050 45.061 45.100 0.019 0.000 0.833 493 G HN 0.342 nan 8.290 nan 0.000 0.454 494 Q N 2.242 122.049 119.800 0.012 0.000 2.290 494 Q HA 0.226 4.570 4.340 0.007 0.000 0.259 494 Q C -0.503 175.526 176.000 0.048 0.000 0.941 494 Q CA -0.330 55.509 55.803 0.059 0.000 0.912 494 Q CB 1.590 30.363 28.738 0.058 0.000 1.244 494 Q HN 0.592 nan 8.270 nan 0.000 0.441 495 D N 1.727 122.157 120.400 0.050 0.000 2.755 495 D HA -0.199 4.445 4.640 0.007 0.000 0.227 495 D C -0.230 176.112 176.300 0.069 0.000 1.211 495 D CA 0.494 54.524 54.000 0.050 0.000 0.663 495 D CB -1.067 39.766 40.800 0.055 0.000 0.983 495 D HN 0.338 nan 8.370 nan 0.000 0.407 496 I N 0.857 121.485 120.570 0.096 0.000 2.371 496 I HA 0.168 4.342 4.170 0.007 0.000 0.290 496 I C 0.904 177.133 176.117 0.186 0.000 1.028 496 I CA -0.983 60.387 61.300 0.116 0.000 1.345 496 I CB 0.909 38.987 38.000 0.131 0.000 1.407 496 I HN 0.159 nan 8.210 nan 0.000 0.501 497 L N 6.976 128.262 121.223 0.105 0.000 2.313 497 L HA 0.434 4.778 4.340 0.007 0.000 0.282 497 L C 0.176 177.041 176.870 -0.008 0.000 1.092 497 L CA 0.988 55.895 54.840 0.111 0.000 0.831 497 L CB 0.840 42.949 42.059 0.083 0.000 1.159 497 L HN 0.738 nan 8.230 nan 0.000 0.442 498 S N 2.125 117.767 115.700 -0.096 0.000 2.752 498 S HA 0.647 5.122 4.470 0.007 0.000 0.284 498 S C -1.041 173.464 174.600 -0.158 0.000 1.189 498 S CA -0.199 57.807 58.200 -0.323 0.000 0.835 498 S CB 1.083 63.678 63.200 -1.008 0.000 1.192 498 S HN 0.854 nan 8.310 nan 0.000 0.506 499 S N 1.168 116.662 115.700 -0.342 0.000 2.531 499 S HA 0.568 5.042 4.470 0.007 0.000 0.279 499 S C 0.361 174.758 174.600 -0.338 0.000 1.305 499 S CA -0.104 57.687 58.200 -0.683 0.000 1.058 499 S CB 0.253 62.651 63.200 -1.337 0.000 0.899 499 S HN 1.315 nan 8.310 nan 0.000 0.493 500 V N -0.699 119.090 119.914 -0.210 0.000 3.139 500 V HA 0.977 5.101 4.120 0.007 0.000 0.310 500 V C 0.451 176.562 176.094 0.028 0.000 1.260 500 V CA -1.224 61.065 62.300 -0.019 0.000 1.064 500 V CB 0.589 32.439 31.823 0.045 0.000 1.160 500 V HN 1.210 nan 8.190 nan 0.000 0.470 501 A N 0.765 123.607 122.820 0.037 0.000 2.492 501 A HA 0.319 4.644 4.320 0.007 0.000 0.236 501 A C 0.785 178.369 177.584 0.000 0.000 1.078 501 A CA 0.667 52.727 52.037 0.037 0.000 0.773 501 A CB -0.919 18.093 19.000 0.020 0.000 1.023 501 A HN 1.631 nan 8.150 nan 0.000 0.504 502 N N 0.326 119.015 118.700 -0.018 0.000 2.725 502 N HA -0.226 4.518 4.740 0.007 0.000 0.251 502 N C 0.254 175.669 175.510 -0.157 0.000 1.031 502 N CA 1.364 54.372 53.050 -0.069 0.000 0.720 502 N CB -1.405 37.054 38.487 -0.046 0.000 0.930 502 N HN 0.959 nan 8.380 nan 0.000 0.543 503 N N -1.556 116.958 118.700 -0.310 0.000 2.714 503 N HA -0.222 4.522 4.740 0.007 0.000 0.250 503 N C -0.575 174.639 175.510 -0.494 0.000 1.117 503 N CA 1.836 54.455 53.050 -0.719 0.000 0.719 503 N CB -0.294 37.912 38.487 -0.468 0.000 1.081 503 N HN 0.631 nan 8.380 nan 0.000 0.557 504 K N -0.964 119.296 120.400 -0.235 0.000 2.393 504 K HA 0.555 4.879 4.320 0.007 0.000 0.241 504 K C -0.654 175.790 176.600 -0.259 0.000 1.055 504 K CA -0.530 55.694 56.287 -0.105 0.000 0.951 504 K CB 0.826 33.321 32.500 -0.009 0.000 1.285 504 K HN 0.047 nan 8.250 nan 0.000 0.500 505 Y N -0.960 119.389 120.300 0.082 0.000 2.553 505 Y HA 0.630 5.184 4.550 0.007 0.000 0.347 505 Y C -0.571 175.374 175.900 0.074 0.000 1.019 505 Y CA -0.873 57.270 58.100 0.072 0.000 1.032 505 Y CB 2.539 41.025 38.460 0.045 0.000 1.284 505 Y HN 0.703 nan 8.280 nan 0.000 0.466 506 A N 1.555 124.528 122.820 0.256 0.000 2.597 506 A HA 0.677 5.001 4.320 0.007 0.000 0.292 506 A C -1.802 175.928 177.584 0.244 0.000 1.057 506 A CA -1.221 50.932 52.037 0.193 0.000 0.674 506 A CB 1.482 20.555 19.000 0.122 0.000 1.278 506 A HN 0.653 nan 8.150 nan 0.000 0.416 507 K N 0.426 120.921 120.400 0.159 0.000 2.143 507 K HA 0.763 5.087 4.320 0.007 0.000 0.272 507 K C -1.140 175.474 176.600 0.023 0.000 1.001 507 K CA -0.126 56.252 56.287 0.151 0.000 0.915 507 K CB 1.183 33.740 32.500 0.095 0.000 1.047 507 K HN 0.529 nan 8.250 nan 0.000 0.458 508 L N 0.872 122.063 121.223 -0.055 0.000 2.424 508 L HA 0.402 4.747 4.340 0.007 0.000 0.258 508 L C -0.737 176.052 176.870 -0.136 0.000 0.995 508 L CA -0.801 53.898 54.840 -0.235 0.000 0.821 508 L CB 2.570 44.250 42.059 -0.633 0.000 1.383 508 L HN 0.589 nan 8.230 nan 0.000 0.410 509 S N 0.050 115.648 115.700 -0.170 0.000 2.568 509 S HA 0.965 5.439 4.470 0.007 0.000 0.302 509 S C -0.238 174.158 174.600 -0.339 0.000 1.082 509 S CA -0.417 57.693 58.200 -0.150 0.000 1.009 509 S CB 2.113 65.243 63.200 -0.116 0.000 1.069 509 S HN 0.965 nan 8.310 nan 0.000 0.500 510 G N 0.337 109.002 108.800 -0.224 0.000 2.352 510 G HA2 0.233 4.197 3.960 0.007 0.000 0.305 510 G HA3 0.233 4.197 3.960 0.007 0.000 0.305 510 G C 0.288 175.259 174.900 0.119 0.000 1.537 510 G CA -0.062 44.867 45.100 -0.285 0.000 0.959 510 G HN 0.719 nan 8.290 nan 0.000 0.668 511 T N -1.774 112.903 114.554 0.204 0.000 3.051 511 T HA 0.013 4.367 4.350 0.007 0.000 0.269 511 T C 2.258 177.012 174.700 0.089 0.000 1.127 511 T CA 2.149 64.343 62.100 0.157 0.000 1.107 511 T CB -0.036 68.911 68.868 0.132 0.000 0.898 511 T HN 0.489 nan 8.240 nan 0.000 0.517 512 S N 1.189 116.941 115.700 0.087 0.000 2.423 512 S HA 0.056 4.530 4.470 0.007 0.000 0.231 512 S C 1.727 176.355 174.600 0.047 0.000 1.014 512 S CA 1.149 59.410 58.200 0.101 0.000 0.965 512 S CB -0.357 62.975 63.200 0.220 0.000 0.785 512 S HN 0.402 nan 8.310 nan 0.000 0.495 513 M N 0.566 120.193 119.600 0.044 0.000 2.394 513 M HA 0.158 4.642 4.480 0.007 0.000 0.266 513 M C 2.135 178.465 176.300 0.049 0.000 1.098 513 M CA 0.746 56.084 55.300 0.063 0.000 1.149 513 M CB -0.435 32.218 32.600 0.087 0.000 1.369 513 M HN 0.027 nan 8.290 nan 0.000 0.450 514 S N 0.625 116.354 115.700 0.049 0.000 2.368 514 S HA -0.049 4.425 4.470 0.007 0.000 0.224 514 S C 2.193 176.812 174.600 0.031 0.000 1.029 514 S CA 1.228 59.449 58.200 0.036 0.000 0.988 514 S CB -0.606 62.621 63.200 0.045 0.000 0.838 514 S HN 0.539 nan 8.310 nan 0.000 0.462 515 A N 2.821 125.660 122.820 0.030 0.000 1.873 515 A HA -0.086 4.238 4.320 0.007 0.000 0.218 515 A C 0.178 177.773 177.584 0.019 0.000 1.193 515 A CA 1.761 53.808 52.037 0.017 0.000 0.629 515 A CB -1.879 17.128 19.000 0.011 0.000 0.826 515 A HN 0.469 nan 8.150 nan 0.000 0.447 516 P HA -0.143 nan 4.420 nan 0.000 0.220 516 P C 1.737 179.049 177.300 0.020 0.000 1.148 516 P CA 0.841 63.959 63.100 0.030 0.000 0.803 516 P CB -0.151 31.575 31.700 0.043 0.000 0.782 517 L N -0.367 120.867 121.223 0.019 0.000 2.027 517 L HA -0.107 4.237 4.340 0.007 0.000 0.206 517 L C 2.472 179.348 176.870 0.010 0.000 1.074 517 L CA 1.450 56.298 54.840 0.013 0.000 0.745 517 L CB -0.548 41.519 42.059 0.014 0.000 0.898 517 L HN -0.146 nan 8.230 nan 0.000 0.433 518 V N 0.007 119.927 119.914 0.010 0.000 2.427 518 V HA -0.238 3.886 4.120 0.007 0.000 0.248 518 V C 2.750 178.839 176.094 -0.008 0.000 1.051 518 V CA 1.491 63.793 62.300 0.002 0.000 1.048 518 V CB -0.725 31.099 31.823 0.002 0.000 0.666 518 V HN 0.546 nan 8.190 nan 0.000 0.456 519 A N 0.525 123.342 122.820 -0.004 0.000 1.933 519 A HA -0.105 4.219 4.320 0.007 0.000 0.218 519 A C 2.396 179.973 177.584 -0.011 0.000 1.175 519 A CA 1.970 54.003 52.037 -0.007 0.000 0.628 519 A CB -1.084 17.918 19.000 0.004 0.000 0.814 519 A HN 0.525 nan 8.150 nan 0.000 0.444 520 G N -0.237 108.560 108.800 -0.005 0.000 2.403 520 G HA2 -0.107 3.857 3.960 0.007 0.000 0.216 520 G HA3 -0.107 3.857 3.960 0.007 0.000 0.216 520 G C 1.505 176.392 174.900 -0.022 0.000 1.154 520 G CA 0.985 46.080 45.100 -0.008 0.000 0.784 520 G HN 0.470 nan 8.290 nan 0.000 0.538 521 I N 0.499 121.056 120.570 -0.022 0.000 2.315 521 I HA -0.147 4.027 4.170 0.007 0.000 0.248 521 I C 2.848 178.928 176.117 -0.062 0.000 1.117 521 I CA 0.717 61.996 61.300 -0.036 0.000 1.404 521 I CB -0.118 37.869 38.000 -0.023 0.000 1.071 521 I HN 0.101 nan 8.210 nan 0.000 0.419 522 M N 0.282 119.849 119.600 -0.054 0.000 2.117 522 M HA -0.110 4.374 4.480 0.007 0.000 0.262 522 M C 2.425 178.676 176.300 -0.081 0.000 1.065 522 M CA 1.851 57.108 55.300 -0.072 0.000 1.114 522 M CB -1.616 30.953 32.600 -0.051 0.000 1.361 522 M HN 0.332 nan 8.290 nan 0.000 0.408 523 G N 0.091 108.857 108.800 -0.057 0.000 2.421 523 G HA2 -0.166 3.798 3.960 0.007 0.000 0.216 523 G HA3 -0.166 3.798 3.960 0.007 0.000 0.216 523 G C 1.649 176.508 174.900 -0.069 0.000 1.171 523 G CA 0.457 45.526 45.100 -0.051 0.000 0.775 523 G HN 0.400 nan 8.290 nan 0.000 0.543 524 L N -0.456 120.724 121.223 -0.071 0.000 2.093 524 L HA 0.013 4.358 4.340 0.007 0.000 0.208 524 L C 2.688 179.473 176.870 -0.142 0.000 1.085 524 L CA 0.322 55.114 54.840 -0.081 0.000 0.755 524 L CB -0.372 41.651 42.059 -0.060 0.000 0.904 524 L HN 0.192 nan 8.230 nan 0.000 0.435 525 L N -0.276 120.824 121.223 -0.205 0.000 2.093 525 L HA -0.208 4.136 4.340 0.007 0.000 0.208 525 L C 2.559 179.119 176.870 -0.517 0.000 1.085 525 L CA 1.691 56.282 54.840 -0.416 0.000 0.755 525 L CB -0.448 41.352 42.059 -0.432 0.000 0.904 525 L HN 0.240 nan 8.230 nan 0.000 0.435 526 Q N -0.904 118.737 119.800 -0.264 0.000 2.124 526 Q HA -0.261 4.083 4.340 0.007 0.000 0.202 526 Q C 2.151 178.118 176.000 -0.054 0.000 0.977 526 Q CA 1.644 57.374 55.803 -0.122 0.000 0.850 526 Q CB -0.141 28.565 28.738 -0.054 0.000 0.901 526 Q HN 0.276 nan 8.270 nan 0.000 0.429 527 K N 1.406 121.764 120.400 -0.070 0.000 2.026 527 K HA -0.226 4.099 4.320 0.007 0.000 0.208 527 K C 1.955 178.545 176.600 -0.016 0.000 1.048 527 K CA 1.729 57.997 56.287 -0.031 0.000 0.929 527 K CB -0.276 32.203 32.500 -0.036 0.000 0.713 527 K HN 0.168 nan 8.250 nan 0.000 0.439 528 Q N -0.702 119.059 119.800 -0.064 0.000 2.112 528 Q HA -0.213 4.131 4.340 0.007 0.000 0.206 528 Q C 1.830 177.912 176.000 0.137 0.000 0.987 528 Q CA 1.920 57.714 55.803 -0.016 0.000 0.858 528 Q CB -0.330 28.356 28.738 -0.087 0.000 0.905 528 Q HN 0.641 nan 8.270 nan 0.000 0.420 529 Y N 0.123 120.441 120.300 0.029 0.000 2.497 529 Y HA -0.133 4.421 4.550 0.007 0.000 0.292 529 Y C 2.001 177.929 175.900 0.046 0.000 1.137 529 Y CA 0.385 58.535 58.100 0.084 0.000 1.285 529 Y CB 0.202 38.769 38.460 0.177 0.000 0.991 529 Y HN 0.318 nan 8.280 nan 0.000 0.556 530 E N -0.345 119.956 120.200 0.167 0.000 2.204 530 E HA -0.135 4.219 4.350 0.007 0.000 0.194 530 E C 1.793 178.421 176.600 0.047 0.000 0.989 530 E CA 1.469 57.922 56.400 0.089 0.000 0.824 530 E CB 0.005 29.734 29.700 0.047 0.000 0.756 530 E HN 0.343 nan 8.360 nan 0.000 0.477 531 T N 0.217 114.789 114.554 0.031 0.000 2.983 531 T HA -0.029 4.325 4.350 0.007 0.000 0.250 531 T C 1.770 176.420 174.700 -0.083 0.000 1.037 531 T CA 0.415 62.505 62.100 -0.016 0.000 1.142 531 T CB 0.069 68.927 68.868 -0.017 0.000 0.876 531 T HN 0.074 nan 8.240 nan 0.000 0.455 532 Q N -0.205 119.512 119.800 -0.139 0.000 2.123 532 Q HA 0.009 4.353 4.340 0.007 0.000 0.199 532 Q C -0.115 175.425 176.000 -0.767 0.000 0.966 532 Q CA 1.081 56.602 55.803 -0.469 0.000 0.845 532 Q CB 0.146 28.522 28.738 -0.604 0.000 0.907 532 Q HN 0.593 nan 8.270 nan 0.000 0.439 533 Y N -0.511 119.776 120.300 -0.022 0.000 2.511 533 Y HA 0.216 4.770 4.550 0.007 0.000 0.356 533 Y C -1.793 174.094 175.900 -0.022 0.000 1.002 533 Y CA -1.813 56.250 58.100 -0.062 0.000 1.127 533 Y CB 1.076 39.438 38.460 -0.162 0.000 1.137 533 Y HN 0.105 nan 8.280 nan 0.000 0.652 534 P HA -0.127 nan 4.420 nan 0.000 0.223 534 P C 0.324 177.652 177.300 0.047 0.000 1.151 534 P CA 1.406 64.533 63.100 0.045 0.000 0.787 534 P CB 0.554 32.262 31.700 0.014 0.000 0.788 535 D N -0.915 119.517 120.400 0.054 0.000 2.340 535 D HA 0.107 4.751 4.640 0.007 0.000 0.220 535 D C 1.146 177.467 176.300 0.034 0.000 1.039 535 D CA 0.394 54.417 54.000 0.039 0.000 0.866 535 D CB -0.031 40.790 40.800 0.034 0.000 0.913 535 D HN 0.295 nan 8.370 nan 0.000 0.523 536 M N 0.482 120.109 119.600 0.045 0.000 2.227 536 M HA 0.117 4.602 4.480 0.007 0.000 0.316 536 M C 0.971 177.280 176.300 0.015 0.000 1.144 536 M CA -0.173 55.137 55.300 0.017 0.000 1.121 536 M CB 1.133 33.734 32.600 0.003 0.000 1.440 536 M HN -0.147 nan 8.290 nan 0.000 0.473 537 T N -1.913 112.641 114.554 -0.001 0.000 2.874 537 T HA 0.282 4.636 4.350 0.007 0.000 0.281 537 T C -2.231 172.468 174.700 -0.002 0.000 0.994 537 T CA -1.645 60.453 62.100 -0.002 0.000 1.015 537 T CB 0.686 69.548 68.868 -0.010 0.000 1.028 537 T HN 0.351 nan 8.240 nan 0.000 0.523 538 P HA -0.071 nan 4.420 nan 0.000 0.215 538 P C 1.830 179.120 177.300 -0.017 0.000 1.153 538 P CA 1.042 64.138 63.100 -0.007 0.000 0.853 538 P CB -0.094 31.593 31.700 -0.022 0.000 0.788 539 S N -0.582 115.101 115.700 -0.029 0.000 2.368 539 S HA -0.187 4.287 4.470 0.007 0.000 0.225 539 S C 1.773 176.348 174.600 -0.041 0.000 1.030 539 S CA 1.302 59.480 58.200 -0.037 0.000 0.999 539 S CB -0.769 62.409 63.200 -0.036 0.000 0.844 539 S HN 0.357 nan 8.310 nan 0.000 0.459 540 E N 0.728 120.903 120.200 -0.041 0.000 2.072 540 E HA -0.073 4.281 4.350 0.007 0.000 0.191 540 E C 2.380 178.934 176.600 -0.078 0.000 0.985 540 E CA 0.696 57.056 56.400 -0.067 0.000 0.801 540 E CB -0.081 29.581 29.700 -0.063 0.000 0.750 540 E HN 0.355 nan 8.360 nan 0.000 0.452 541 R N 0.356 120.842 120.500 -0.023 0.000 2.092 541 R HA -0.118 4.226 4.340 0.007 0.000 0.231 541 R C 2.469 178.804 176.300 0.060 0.000 1.119 541 R CA 0.713 56.840 56.100 0.045 0.000 0.970 541 R CB -0.300 30.079 30.300 0.133 0.000 0.864 541 R HN 0.133 nan 8.270 nan 0.000 0.440 542 L N 1.379 122.606 121.223 0.007 0.000 2.017 542 L HA -0.174 4.170 4.340 0.007 0.000 0.208 542 L C 1.736 178.578 176.870 -0.047 0.000 1.073 542 L CA 2.126 56.958 54.840 -0.013 0.000 0.745 542 L CB -0.660 41.381 42.059 -0.029 0.000 0.894 542 L HN 0.037 nan 8.230 nan 0.000 0.432 543 D N -0.810 119.543 120.400 -0.079 0.000 2.123 543 D HA -0.252 4.393 4.640 0.007 0.000 0.196 543 D C 2.286 178.464 176.300 -0.202 0.000 0.992 543 D CA 1.619 55.543 54.000 -0.125 0.000 0.833 543 D CB -0.230 40.493 40.800 -0.128 0.000 0.954 543 D HN 0.420 nan 8.370 nan 0.000 0.455 544 L N -0.115 120.969 121.223 -0.232 0.000 2.017 544 L HA -0.156 4.188 4.340 0.007 0.000 0.208 544 L C 2.342 179.113 176.870 -0.164 0.000 1.073 544 L CA 1.562 56.174 54.840 -0.379 0.000 0.745 544 L CB -0.590 41.218 42.059 -0.418 0.000 0.894 544 L HN 0.165 nan 8.230 nan 0.000 0.432 545 A N -0.128 122.732 122.820 0.068 0.000 1.908 545 A HA -0.296 4.028 4.320 0.007 0.000 0.218 545 A C 2.361 179.928 177.584 -0.029 0.000 1.181 545 A CA 2.134 54.227 52.037 0.094 0.000 0.627 545 A CB -0.517 18.492 19.000 0.014 0.000 0.818 545 A HN 0.439 nan 8.150 nan 0.000 0.445 546 K N -0.241 120.118 120.400 -0.068 0.000 2.057 546 K HA -0.141 4.184 4.320 0.007 0.000 0.206 546 K C 2.019 178.567 176.600 -0.086 0.000 1.050 546 K CA 1.613 57.856 56.287 -0.073 0.000 0.935 546 K CB -0.155 32.298 32.500 -0.078 0.000 0.715 546 K HN 0.446 nan 8.250 nan 0.000 0.439 547 K N 0.088 120.394 120.400 -0.156 0.000 2.057 547 K HA -0.090 4.234 4.320 0.007 0.000 0.207 547 K C 1.986 178.532 176.600 -0.091 0.000 1.049 547 K CA 1.293 57.481 56.287 -0.165 0.000 0.931 547 K CB 0.014 32.279 32.500 -0.392 0.000 0.714 547 K HN -0.031 nan 8.250 nan 0.000 0.440 548 V N 1.763 121.610 119.914 -0.113 0.000 2.358 548 V HA -0.219 3.905 4.120 0.007 0.000 0.246 548 V C 2.187 178.303 176.094 0.036 0.000 1.047 548 V CA 1.494 63.803 62.300 0.016 0.000 1.035 548 V CB -0.352 31.526 31.823 0.091 0.000 0.658 548 V HN 0.303 nan 8.190 nan 0.000 0.452 549 L N -1.194 120.034 121.223 0.008 0.000 2.046 549 L HA -0.244 4.100 4.340 0.007 0.000 0.208 549 L C 2.502 179.383 176.870 0.017 0.000 1.077 549 L CA 1.869 56.714 54.840 0.007 0.000 0.747 549 L CB -0.403 41.648 42.059 -0.014 0.000 0.896 549 L HN 0.353 nan 8.230 nan 0.000 0.432 550 M N -1.292 118.315 119.600 0.012 0.000 2.156 550 M HA -0.151 4.333 4.480 0.007 0.000 0.264 550 M C 2.481 178.817 176.300 0.059 0.000 1.067 550 M CA 1.444 56.761 55.300 0.027 0.000 1.131 550 M CB -0.190 32.419 32.600 0.015 0.000 1.368 550 M HN 0.123 nan 8.290 nan 0.000 0.416 551 S N 0.671 116.414 115.700 0.071 0.000 2.356 551 S HA -0.126 4.349 4.470 0.007 0.000 0.223 551 S C 1.997 176.652 174.600 0.092 0.000 1.032 551 S CA 1.835 60.093 58.200 0.096 0.000 1.005 551 S CB -0.444 62.825 63.200 0.115 0.000 0.867 551 S HN 0.621 nan 8.310 nan 0.000 0.449 552 S N 1.843 117.590 115.700 0.079 0.000 2.481 552 S HA 0.285 4.759 4.470 0.007 0.000 0.231 552 S C 0.845 175.477 174.600 0.054 0.000 0.996 552 S CA 0.313 58.556 58.200 0.073 0.000 0.942 552 S CB -0.512 62.730 63.200 0.071 0.000 0.768 552 S HN 0.497 nan 8.310 nan 0.000 0.520 553 A N 1.864 124.710 122.820 0.043 0.000 2.531 553 A HA 0.431 4.755 4.320 0.007 0.000 0.236 553 A C 0.440 178.026 177.584 0.002 0.000 1.062 553 A CA 0.031 52.079 52.037 0.017 0.000 0.760 553 A CB -0.182 18.825 19.000 0.011 0.000 0.995 553 A HN 0.373 nan 8.150 nan 0.000 0.501 554 T N 2.480 117.017 114.554 -0.027 0.000 2.743 554 T HA 0.478 4.832 4.350 0.007 0.000 0.293 554 T C 0.555 175.192 174.700 -0.106 0.000 0.945 554 T CA 0.436 62.510 62.100 -0.042 0.000 1.030 554 T CB 0.889 69.743 68.868 -0.022 0.000 0.912 554 T HN 1.028 nan 8.240 nan 0.000 0.483 555 A N 4.924 127.636 122.820 -0.181 0.000 2.522 555 A HA 0.367 4.691 4.320 0.007 0.000 0.256 555 A C 0.434 178.007 177.584 -0.019 0.000 1.086 555 A CA -0.304 51.514 52.037 -0.365 0.000 0.763 555 A CB -0.304 18.100 19.000 -0.994 0.000 1.024 555 A HN 0.880 nan 8.150 nan 0.000 0.502 556 L N 2.216 123.453 121.223 0.024 0.000 2.397 556 L HA 0.230 4.575 4.340 0.007 0.000 0.271 556 L C -0.153 176.971 176.870 0.423 0.000 1.148 556 L CA -0.122 54.830 54.840 0.187 0.000 0.825 556 L CB 0.533 42.605 42.059 0.020 0.000 1.117 556 L HN 0.771 nan 8.230 nan 0.000 0.456 557 Y N 1.780 122.139 120.300 0.099 0.000 2.352 557 Y HA 0.192 4.746 4.550 0.007 0.000 0.339 557 Y C -0.095 175.633 175.900 -0.286 0.000 0.992 557 Y CA -0.701 57.222 58.100 -0.295 0.000 1.100 557 Y CB 1.452 39.641 38.460 -0.452 0.000 1.192 557 Y HN 0.478 nan 8.280 nan 0.000 0.458 558 D N 5.306 125.037 120.400 -1.115 0.000 2.365 558 D HA 0.050 4.695 4.640 0.007 0.000 0.237 558 D C 0.554 176.449 176.300 -0.676 0.000 1.190 558 D CA 0.175 53.573 54.000 -1.004 0.000 0.867 558 D CB 1.055 41.090 40.800 -1.276 0.000 1.050 558 D HN 0.701 nan 8.370 nan 0.000 0.491 559 E N 2.677 122.736 120.200 -0.236 0.000 2.072 559 E HA -0.140 4.214 4.350 0.007 0.000 0.191 559 E C 1.034 177.569 176.600 -0.109 0.000 0.985 559 E CA 0.882 57.237 56.400 -0.074 0.000 0.801 559 E CB 0.210 29.940 29.700 0.050 0.000 0.750 559 E HN 0.602 nan 8.360 nan 0.000 0.452 560 D N 0.865 121.201 120.400 -0.106 0.000 2.149 560 D HA -0.143 4.501 4.640 0.007 0.000 0.198 560 D C 1.549 177.782 176.300 -0.111 0.000 0.990 560 D CA 0.945 54.900 54.000 -0.075 0.000 0.839 560 D CB 0.058 40.833 40.800 -0.041 0.000 0.948 560 D HN 0.185 nan 8.370 nan 0.000 0.460 561 E N 0.140 120.217 120.200 -0.205 0.000 2.447 561 E HA 0.003 4.357 4.350 0.007 0.000 0.195 561 E C 0.313 176.763 176.600 -0.250 0.000 1.028 561 E CA 0.064 56.342 56.400 -0.204 0.000 0.876 561 E CB 0.358 29.922 29.700 -0.228 0.000 0.885 561 E HN -0.022 nan 8.360 nan 0.000 0.500 562 K N -0.440 119.737 120.400 -0.371 0.000 3.161 562 K HA -0.150 4.174 4.320 0.007 0.000 0.270 562 K C -0.749 175.554 176.600 -0.495 0.000 1.115 562 K CA 0.837 56.924 56.287 -0.334 0.000 0.789 562 K CB -1.892 30.574 32.500 -0.057 0.000 1.256 562 K HN 0.277 nan 8.250 nan 0.000 0.492 563 A N -0.710 121.545 122.820 -0.941 0.000 2.606 563 A HA 0.700 5.024 4.320 0.007 0.000 0.293 563 A C -1.209 175.855 177.584 -0.866 0.000 1.082 563 A CA -0.935 50.722 52.037 -0.633 0.000 0.685 563 A CB 0.743 19.582 19.000 -0.268 0.000 1.284 563 A HN 0.108 nan 8.150 nan 0.000 0.408 564 Y N 0.217 120.376 120.300 -0.235 0.000 2.346 564 Y HA 0.428 4.982 4.550 0.007 0.000 0.330 564 Y C 0.341 176.191 175.900 -0.082 0.000 1.178 564 Y CA 0.538 58.571 58.100 -0.111 0.000 1.331 564 Y CB 0.358 38.854 38.460 0.060 0.000 1.253 564 Y HN 0.517 nan 8.280 nan 0.000 0.529 565 F N 0.837 120.849 119.950 0.103 0.000 2.595 565 F HA -0.011 4.520 4.527 0.007 0.000 0.359 565 F C 1.116 177.009 175.800 0.154 0.000 1.147 565 F CA 0.160 58.201 58.000 0.068 0.000 1.341 565 F CB 0.331 39.320 39.000 -0.019 0.000 1.104 565 F HN 0.394 nan 8.300 nan 0.000 0.603 566 S N 4.284 120.122 115.700 0.230 0.000 2.558 566 S HA 0.038 4.512 4.470 0.007 0.000 0.288 566 S C -1.163 173.421 174.600 -0.026 0.000 1.318 566 S CA -1.217 57.037 58.200 0.091 0.000 1.056 566 S CB 0.609 63.881 63.200 0.120 0.000 0.853 566 S HN 0.416 nan 8.310 nan 0.000 0.505 567 P HA -0.049 nan 4.420 nan 0.000 0.226 567 P C 0.764 177.907 177.300 -0.260 0.000 1.153 567 P CA 0.867 63.819 63.100 -0.246 0.000 0.777 567 P CB 0.046 31.396 31.700 -0.583 0.000 0.794 568 R N -0.456 119.869 120.500 -0.291 0.000 2.316 568 R HA -0.016 4.328 4.340 0.007 0.000 0.202 568 R C 2.358 178.414 176.300 -0.405 0.000 1.029 568 R CA 0.755 56.692 56.100 -0.270 0.000 1.018 568 R CB -0.156 30.029 30.300 -0.192 0.000 0.888 568 R HN 0.308 nan 8.270 nan 0.000 0.471 569 Q N 0.097 119.500 119.800 -0.662 0.000 2.471 569 Q HA -0.055 4.289 4.340 0.007 0.000 0.241 569 Q C 1.495 177.199 176.000 -0.494 0.000 0.886 569 Q CA 0.263 55.477 55.803 -0.982 0.000 0.953 569 Q CB 0.651 28.457 28.738 -1.553 0.000 1.108 569 Q HN 0.346 nan 8.270 nan 0.000 0.575 570 Q N -1.177 118.456 119.800 -0.278 0.000 2.217 570 Q HA 0.324 4.668 4.340 0.007 0.000 0.217 570 Q C 0.867 176.828 176.000 -0.066 0.000 0.844 570 Q CA 0.318 56.028 55.803 -0.156 0.000 0.957 570 Q CB 1.027 29.714 28.738 -0.086 0.000 1.127 570 Q HN 0.325 nan 8.270 nan 0.000 0.503 571 G N 1.920 110.674 108.800 -0.078 0.000 2.574 571 G HA2 -0.445 3.519 3.960 0.007 0.000 0.286 571 G HA3 -0.445 3.519 3.960 0.007 0.000 0.286 571 G C 0.727 175.675 174.900 0.081 0.000 1.212 571 G CA 0.519 45.588 45.100 -0.051 0.000 0.979 571 G HN 0.840 nan 8.290 nan 0.000 0.557 572 A N 0.467 123.337 122.820 0.083 0.000 2.238 572 A HA 0.633 4.957 4.320 0.007 0.000 0.208 572 A C 1.869 179.549 177.584 0.160 0.000 1.177 572 A CA 1.847 53.995 52.037 0.184 0.000 0.804 572 A CB -0.863 18.196 19.000 0.099 0.000 0.823 572 A HN 2.851 nan 8.150 nan 0.000 0.482 573 G N -2.218 106.625 108.800 0.072 0.000 2.353 573 G HA2 0.468 4.432 3.960 0.007 0.000 0.615 573 G HA3 0.468 4.432 3.960 0.007 0.000 0.615 573 G C -0.271 174.570 174.900 -0.098 0.000 1.280 573 G CA -0.391 44.680 45.100 -0.048 0.000 1.000 573 G HN 1.417 nan 8.290 nan 0.000 0.516 574 A N -0.596 122.114 122.820 -0.183 0.000 2.362 574 A HA 0.720 5.044 4.320 0.007 0.000 0.276 574 A C 0.883 178.440 177.584 -0.045 0.000 1.153 574 A CA 0.447 52.359 52.037 -0.209 0.000 0.813 574 A CB 1.085 19.765 19.000 -0.532 0.000 1.081 574 A HN 2.281 nan 8.150 nan 0.000 0.507 575 V N 2.890 122.822 119.914 0.030 0.000 2.788 575 V HA 0.157 4.282 4.120 0.007 0.000 0.307 575 V C -0.258 175.867 176.094 0.051 0.000 1.069 575 V CA 0.603 62.927 62.300 0.040 0.000 1.173 575 V CB 0.961 32.812 31.823 0.047 0.000 0.925 575 V HN 0.915 nan 8.190 nan 0.000 0.492 576 D N 4.627 125.049 120.400 0.037 0.000 2.386 576 D HA 0.461 5.105 4.640 0.007 0.000 0.247 576 D C 0.452 176.770 176.300 0.030 0.000 1.336 576 D CA 0.161 54.185 54.000 0.039 0.000 0.976 576 D CB 1.808 42.630 40.800 0.037 0.000 1.257 576 D HN 0.628 nan 8.370 nan 0.000 0.570 577 A N 4.224 127.059 122.820 0.024 0.000 2.015 577 A HA -0.135 4.189 4.320 0.007 0.000 0.219 577 A C 1.950 179.543 177.584 0.015 0.000 1.163 577 A CA 1.240 53.284 52.037 0.011 0.000 0.646 577 A CB -0.112 18.889 19.000 0.003 0.000 0.806 577 A HN 0.550 nan 8.150 nan 0.000 0.448 578 K N 0.079 120.492 120.400 0.023 0.000 2.031 578 K HA -0.112 4.212 4.320 0.007 0.000 0.205 578 K C 1.916 178.538 176.600 0.036 0.000 1.049 578 K CA 1.527 57.830 56.287 0.026 0.000 0.939 578 K CB -0.196 32.319 32.500 0.026 0.000 0.717 578 K HN 0.386 nan 8.250 nan 0.000 0.438 579 K N 0.183 120.607 120.400 0.040 0.000 2.097 579 K HA -0.096 4.228 4.320 0.007 0.000 0.206 579 K C 2.160 178.797 176.600 0.062 0.000 1.049 579 K CA 1.206 57.524 56.287 0.052 0.000 0.933 579 K CB -0.126 32.405 32.500 0.052 0.000 0.717 579 K HN 0.229 nan 8.250 nan 0.000 0.442 580 A N 0.786 123.637 122.820 0.052 0.000 1.877 580 A HA -0.178 4.146 4.320 0.007 0.000 0.216 580 A C 2.216 179.846 177.584 0.077 0.000 1.186 580 A CA 1.993 54.065 52.037 0.059 0.000 0.620 580 A CB -0.715 18.299 19.000 0.023 0.000 0.822 580 A HN 0.261 nan 8.150 nan 0.000 0.443 581 S N -0.567 115.161 115.700 0.047 0.000 2.382 581 S HA 0.006 4.480 4.470 0.007 0.000 0.228 581 S C 2.002 176.659 174.600 0.096 0.000 1.027 581 S CA 1.440 59.672 58.200 0.053 0.000 0.991 581 S CB -0.366 62.846 63.200 0.020 0.000 0.823 581 S HN 0.780 nan 8.310 nan 0.000 0.469 582 A N 0.781 123.650 122.820 0.082 0.000 2.123 582 A HA 0.618 4.942 4.320 0.007 0.000 0.214 582 A C 1.123 178.772 177.584 0.107 0.000 1.152 582 A CA 0.643 52.730 52.037 0.083 0.000 0.728 582 A CB -0.802 18.236 19.000 0.062 0.000 0.814 582 A HN 0.679 nan 8.150 nan 0.000 0.464 583 A N 0.488 123.385 122.820 0.129 0.000 2.546 583 A HA 0.391 4.715 4.320 0.007 0.000 0.243 583 A C 1.131 178.817 177.584 0.171 0.000 1.063 583 A CA 0.858 52.980 52.037 0.142 0.000 0.757 583 A CB -0.143 18.947 19.000 0.149 0.000 0.991 583 A HN 0.799 nan 8.150 nan 0.000 0.503 584 T N -0.439 114.199 114.554 0.140 0.000 3.145 584 T HA 0.544 4.898 4.350 0.007 0.000 0.281 584 T C 0.211 174.981 174.700 0.118 0.000 1.003 584 T CA -0.063 62.125 62.100 0.146 0.000 0.901 584 T CB -0.413 68.523 68.868 0.112 0.000 1.112 584 T HN 0.545 nan 8.240 nan 0.000 0.535 585 M N 1.254 120.923 119.600 0.116 0.000 2.575 585 M HA 0.658 5.142 4.480 0.007 0.000 0.284 585 M C -1.757 174.630 176.300 0.145 0.000 1.253 585 M CA -1.244 54.087 55.300 0.050 0.000 0.861 585 M CB 2.850 35.429 32.600 -0.035 0.000 1.733 585 M HN 0.338 nan 8.290 nan 0.000 0.462 586 Y N -1.064 119.211 120.300 -0.041 0.000 2.656 586 Y HA 0.837 5.391 4.550 0.007 0.000 0.334 586 Y C -1.535 174.334 175.900 -0.051 0.000 1.179 586 Y CA -1.477 56.591 58.100 -0.053 0.000 1.050 586 Y CB 0.761 39.186 38.460 -0.059 0.000 1.308 586 Y HN 0.494 nan 8.280 nan 0.000 0.456 587 V N -0.341 119.618 119.914 0.075 0.000 2.735 587 V HA 0.975 5.099 4.120 0.007 0.000 0.310 587 V C -0.436 175.737 176.094 0.132 0.000 1.061 587 V CA -0.021 62.263 62.300 -0.026 0.000 0.913 587 V CB 0.975 32.658 31.823 -0.234 0.000 1.005 587 V HN 1.346 nan 8.190 nan 0.000 0.428 588 T N -0.470 114.170 114.554 0.144 0.000 2.804 588 T HA 0.543 4.897 4.350 0.007 0.000 0.290 588 T C -0.549 174.212 174.700 0.102 0.000 1.099 588 T CA -0.335 61.854 62.100 0.148 0.000 1.011 588 T CB 1.862 70.852 68.868 0.204 0.000 1.291 588 T HN 1.063 nan 8.240 nan 0.000 0.523 589 D N 0.035 120.486 120.400 0.086 0.000 2.384 589 D HA 0.083 4.728 4.640 0.007 0.000 0.244 589 D C 1.270 177.604 176.300 0.056 0.000 1.251 589 D CA -0.605 53.433 54.000 0.064 0.000 0.961 589 D CB 1.056 41.888 40.800 0.054 0.000 1.116 589 D HN 0.875 nan 8.370 nan 0.000 0.484 590 K N -0.112 120.308 120.400 0.034 0.000 2.211 590 K HA -0.188 4.136 4.320 0.007 0.000 0.204 590 K C 0.399 177.016 176.600 0.028 0.000 1.047 590 K CA 1.385 57.683 56.287 0.018 0.000 0.935 590 K CB -0.130 32.375 32.500 0.007 0.000 0.728 590 K HN 0.249 nan 8.250 nan 0.000 0.452 591 D N 1.283 121.704 120.400 0.034 0.000 2.328 591 D HA 0.007 4.652 4.640 0.007 0.000 0.226 591 D C -0.376 175.954 176.300 0.049 0.000 1.066 591 D CA 0.106 54.126 54.000 0.033 0.000 0.861 591 D CB -0.017 40.795 40.800 0.020 0.000 0.912 591 D HN 0.228 nan 8.370 nan 0.000 0.521 592 N N 0.408 119.158 118.700 0.083 0.000 2.721 592 N HA -0.171 4.573 4.740 0.007 0.000 0.249 592 N C 1.108 176.642 175.510 0.039 0.000 1.072 592 N CA 1.321 54.435 53.050 0.107 0.000 0.710 592 N CB -1.899 36.669 38.487 0.136 0.000 0.993 592 N HN 0.417 nan 8.380 nan 0.000 0.547 593 T N -4.718 109.852 114.554 0.028 0.000 3.034 593 T HA 0.259 4.613 4.350 0.007 0.000 0.248 593 T C 0.788 175.481 174.700 -0.013 0.000 1.040 593 T CA 0.841 62.940 62.100 -0.001 0.000 1.107 593 T CB 0.418 69.284 68.868 -0.003 0.000 0.932 593 T HN 0.372 nan 8.240 nan 0.000 0.474 594 S N -0.152 115.552 115.700 0.006 0.000 2.570 594 S HA 0.569 5.043 4.470 0.007 0.000 0.270 594 S C -0.587 174.029 174.600 0.027 0.000 1.149 594 S CA -0.819 57.378 58.200 -0.004 0.000 0.837 594 S CB 1.686 64.874 63.200 -0.020 0.000 1.124 594 S HN 0.017 nan 8.310 nan 0.000 0.465 595 S N 1.665 117.378 115.700 0.022 0.000 3.149 595 S HA 0.325 4.800 4.470 0.007 0.000 0.228 595 S C -0.348 174.278 174.600 0.045 0.000 1.393 595 S CA -0.641 57.591 58.200 0.054 0.000 1.224 595 S CB -1.166 62.068 63.200 0.057 0.000 1.112 595 S HN 0.637 nan 8.310 nan 0.000 0.502 596 K N -1.317 119.103 120.400 0.035 0.000 2.578 596 K HA 0.535 4.859 4.320 0.007 0.000 0.269 596 K C -1.788 174.836 176.600 0.040 0.000 0.941 596 K CA -0.954 55.343 56.287 0.017 0.000 0.847 596 K CB 1.203 33.680 32.500 -0.038 0.000 1.397 596 K HN -0.088 nan 8.250 nan 0.000 0.422 597 V N 2.022 121.974 119.914 0.063 0.000 2.407 597 V HA 0.257 4.381 4.120 0.007 0.000 0.291 597 V C -0.802 175.375 176.094 0.140 0.000 1.018 597 V CA -0.611 61.752 62.300 0.105 0.000 0.842 597 V CB 1.022 32.928 31.823 0.139 0.000 0.996 597 V HN 0.807 nan 8.190 nan 0.000 0.426 598 H N 5.009 124.077 119.070 -0.003 0.000 2.556 598 H HA 0.447 5.007 4.556 0.007 0.000 0.310 598 H C 0.334 175.650 175.328 -0.020 0.000 1.057 598 H CA -0.811 55.221 56.048 -0.027 0.000 1.264 598 H CB 1.390 31.119 29.762 -0.054 0.000 1.404 598 H HN 0.625 nan 8.280 nan 0.000 0.462 599 L N 4.023 125.328 121.223 0.136 0.000 2.592 599 L HA 0.034 4.378 4.340 0.007 0.000 0.227 599 L C 0.811 177.575 176.870 -0.177 0.000 1.127 599 L CA -0.159 54.654 54.840 -0.046 0.000 0.884 599 L CB -0.342 41.670 42.059 -0.078 0.000 1.065 599 L HN 0.771 nan 8.230 nan 0.000 0.457 600 N N 0.164 118.642 118.700 -0.369 0.000 1.191 600 N HA -0.240 4.504 4.740 0.007 0.000 0.120 600 N C -0.012 175.435 175.510 -0.104 0.000 0.826 600 N CA 1.287 54.123 53.050 -0.356 0.000 0.876 600 N CB -0.851 37.450 38.487 -0.311 0.000 1.050 600 N HN 0.181 nan 8.380 nan 0.000 0.603 601 N N 1.550 120.218 118.700 -0.053 0.000 2.529 601 N HA 0.430 5.174 4.740 0.007 0.000 0.278 601 N C -0.111 175.350 175.510 -0.081 0.000 1.146 601 N CA -0.197 52.852 53.050 -0.002 0.000 0.980 601 N CB 1.191 39.709 38.487 0.051 0.000 1.124 601 N HN 0.468 nan 8.380 nan 0.000 0.458 602 V N -1.702 118.129 119.914 -0.137 0.000 3.130 602 V HA 0.679 4.803 4.120 0.007 0.000 0.310 602 V C 0.268 176.314 176.094 -0.081 0.000 1.158 602 V CA -0.838 61.370 62.300 -0.154 0.000 1.029 602 V CB 1.742 33.302 31.823 -0.438 0.000 1.057 602 V HN 0.525 nan 8.190 nan 0.000 0.436 603 S N 0.378 116.100 115.700 0.037 0.000 2.666 603 S HA 0.338 4.812 4.470 0.007 0.000 0.279 603 S C 0.639 175.351 174.600 0.187 0.000 1.149 603 S CA -0.124 58.118 58.200 0.070 0.000 1.020 603 S CB 0.815 64.065 63.200 0.083 0.000 1.127 603 S HN 0.918 nan 8.310 nan 0.000 0.537 604 D N 0.789 121.294 120.400 0.175 0.000 2.264 604 D HA 0.007 4.651 4.640 0.007 0.000 0.208 604 D C -0.086 176.374 176.300 0.266 0.000 0.966 604 D CA 1.174 55.322 54.000 0.247 0.000 0.864 604 D CB 0.140 41.051 40.800 0.186 0.000 0.933 604 D HN 0.289 nan 8.370 nan 0.000 0.499 605 K N 0.249 120.779 120.400 0.216 0.000 2.323 605 K HA 0.449 4.773 4.320 0.007 0.000 0.259 605 K C -0.579 176.146 176.600 0.208 0.000 0.947 605 K CA -0.608 55.742 56.287 0.105 0.000 0.819 605 K CB 1.756 34.287 32.500 0.053 0.000 1.109 605 K HN -0.102 nan 8.250 nan 0.000 0.429 606 F N -1.122 118.851 119.950 0.039 0.000 2.745 606 F HA 0.518 5.049 4.527 0.007 0.000 0.316 606 F C -1.131 174.661 175.800 -0.013 0.000 1.155 606 F CA -1.254 56.754 58.000 0.013 0.000 0.937 606 F CB 1.319 40.330 39.000 0.018 0.000 1.361 606 F HN 0.242 nan 8.300 nan 0.000 0.472 607 E N 0.839 121.145 120.200 0.178 0.000 2.238 607 E HA 0.624 4.978 4.350 0.007 0.000 0.267 607 E C -1.618 175.029 176.600 0.080 0.000 0.887 607 E CA -1.272 55.149 56.400 0.034 0.000 0.769 607 E CB 3.063 32.777 29.700 0.024 0.000 1.187 607 E HN 0.480 nan 8.360 nan 0.000 0.416 608 V N 2.717 122.598 119.914 -0.054 0.000 2.334 608 V HA 0.265 4.389 4.120 0.007 0.000 0.281 608 V C -0.266 175.795 176.094 -0.056 0.000 1.016 608 V CA -0.483 61.757 62.300 -0.100 0.000 0.832 608 V CB 1.483 33.083 31.823 -0.371 0.000 0.999 608 V HN 0.679 nan 8.190 nan 0.000 0.439 609 T N 4.875 119.420 114.554 -0.015 0.000 2.794 609 T HA 0.673 5.027 4.350 0.007 0.000 0.280 609 T C -0.340 174.360 174.700 0.001 0.000 0.987 609 T CA -0.325 61.768 62.100 -0.013 0.000 0.993 609 T CB 1.669 70.533 68.868 -0.006 0.000 0.939 609 T HN 0.342 nan 8.240 nan 0.000 0.449 610 V N 2.874 122.781 119.914 -0.011 0.000 2.876 610 V HA 0.552 4.676 4.120 0.007 0.000 0.312 610 V C -0.078 175.978 176.094 -0.064 0.000 1.085 610 V CA -0.849 61.455 62.300 0.006 0.000 0.945 610 V CB 2.573 34.452 31.823 0.093 0.000 1.017 610 V HN 0.940 nan 8.190 nan 0.000 0.428 611 T N 3.201 117.704 114.554 -0.084 0.000 2.770 611 T HA 0.539 4.893 4.350 0.007 0.000 0.283 611 T C -0.425 174.065 174.700 -0.350 0.000 0.988 611 T CA -0.337 61.627 62.100 -0.227 0.000 0.957 611 T CB 1.392 70.126 68.868 -0.222 0.000 0.930 611 T HN 0.361 nan 8.240 nan 0.000 0.443 612 V N 5.315 124.963 119.914 -0.444 0.000 2.370 612 V HA 0.314 4.438 4.120 0.007 0.000 0.279 612 V C 0.057 175.790 176.094 -0.601 0.000 1.029 612 V CA -0.818 61.195 62.300 -0.479 0.000 0.870 612 V CB 0.520 32.100 31.823 -0.405 0.000 0.984 612 V HN 0.838 nan 8.190 nan 0.000 0.451 613 H N 3.782 122.505 119.070 -0.580 0.000 2.459 613 H HA 0.371 4.931 4.556 0.007 0.000 0.332 613 H C -0.553 174.491 175.328 -0.472 0.000 1.094 613 H CA -0.548 55.117 56.048 -0.637 0.000 1.224 613 H CB 1.965 30.976 29.762 -1.252 0.000 1.449 613 H HN 0.571 nan 8.280 nan 0.000 0.484 614 N N 2.250 120.843 118.700 -0.177 0.000 2.479 614 N HA 0.081 4.825 4.740 0.007 0.000 0.261 614 N C 0.005 175.498 175.510 -0.029 0.000 0.979 614 N CA -0.537 52.458 53.050 -0.090 0.000 0.930 614 N CB 0.941 39.382 38.487 -0.077 0.000 1.172 614 N HN 0.492 nan 8.380 nan 0.000 0.499 615 K N 0.826 121.239 120.400 0.020 0.000 2.387 615 K HA 0.113 4.437 4.320 0.007 0.000 0.198 615 K C 0.272 176.931 176.600 0.098 0.000 1.022 615 K CA -0.143 56.181 56.287 0.062 0.000 1.128 615 K CB 0.361 32.896 32.500 0.058 0.000 0.853 615 K HN 0.400 nan 8.250 nan 0.000 0.523 616 S N 0.955 116.693 115.700 0.063 0.000 2.617 616 S HA 0.057 4.531 4.470 0.007 0.000 0.269 616 S C 0.495 175.117 174.600 0.038 0.000 1.292 616 S CA -0.549 57.684 58.200 0.056 0.000 1.010 616 S CB 0.872 64.096 63.200 0.041 0.000 0.944 616 S HN 0.083 nan 8.310 nan 0.000 0.536 617 D N 1.874 122.294 120.400 0.032 0.000 2.349 617 D HA 0.160 4.804 4.640 0.007 0.000 0.224 617 D C -0.193 176.116 176.300 0.014 0.000 1.029 617 D CA 0.754 54.767 54.000 0.022 0.000 0.879 617 D CB 0.187 40.998 40.800 0.018 0.000 0.906 617 D HN 0.423 nan 8.370 nan 0.000 0.528 618 K N 1.076 121.485 120.400 0.015 0.000 2.371 618 K HA 0.361 4.686 4.320 0.007 0.000 0.251 618 K C -2.614 173.990 176.600 0.006 0.000 0.934 618 K CA -1.903 54.390 56.287 0.010 0.000 0.798 618 K CB 2.721 35.228 32.500 0.013 0.000 1.204 618 K HN -0.176 nan 8.250 nan 0.000 0.427 619 P HA -0.025 nan 4.420 nan 0.000 0.269 619 P C -1.135 176.165 177.300 0.001 0.000 1.215 619 P CA -0.050 63.047 63.100 -0.005 0.000 0.780 619 P CB 0.719 32.415 31.700 -0.007 0.000 0.898 620 Q N 0.712 120.511 119.800 -0.002 0.000 2.372 620 Q HA 0.384 4.728 4.340 0.007 0.000 0.273 620 Q C -0.666 175.341 176.000 0.012 0.000 1.078 620 Q CA -0.688 55.122 55.803 0.011 0.000 0.806 620 Q CB 2.712 31.458 28.738 0.014 0.000 1.332 620 Q HN 0.439 nan 8.270 nan 0.000 0.435 621 E N 2.357 122.571 120.200 0.024 0.000 2.183 621 E HA 0.649 5.003 4.350 0.007 0.000 0.271 621 E C -0.900 175.733 176.600 0.055 0.000 0.919 621 E CA -0.482 55.925 56.400 0.012 0.000 0.781 621 E CB 1.946 31.634 29.700 -0.020 0.000 1.140 621 E HN 0.318 nan 8.360 nan 0.000 0.402 622 L N 1.809 123.076 121.223 0.074 0.000 2.359 622 L HA 0.546 4.890 4.340 0.007 0.000 0.256 622 L C -1.210 175.753 176.870 0.155 0.000 1.026 622 L CA -1.170 53.798 54.840 0.213 0.000 0.828 622 L CB 1.372 43.652 42.059 0.368 0.000 1.406 622 L HN 0.515 nan 8.230 nan 0.000 0.413 623 Y N 0.419 120.864 120.300 0.242 0.000 2.409 623 Y HA 0.585 5.139 4.550 0.007 0.000 0.339 623 Y C -0.607 175.543 175.900 0.417 0.000 1.033 623 Y CA -0.609 57.626 58.100 0.225 0.000 1.094 623 Y CB 1.771 40.218 38.460 -0.022 0.000 1.210 623 Y HN 0.383 nan 8.280 nan 0.000 0.456 624 Y N -0.139 120.392 120.300 0.385 0.000 2.562 624 Y HA 0.742 5.296 4.550 0.007 0.000 0.345 624 Y C -1.244 174.563 175.900 -0.155 0.000 1.045 624 Y CA -1.239 56.816 58.100 -0.075 0.000 1.028 624 Y CB 1.825 39.846 38.460 -0.731 0.000 1.297 624 Y HN 0.613 nan 8.280 nan 0.000 0.463 625 Q N 2.200 121.711 119.800 -0.482 0.000 2.418 625 Q HA 0.848 5.192 4.340 0.007 0.000 0.282 625 Q C -2.101 173.658 176.000 -0.401 0.000 1.044 625 Q CA -1.075 54.305 55.803 -0.705 0.000 0.813 625 Q CB 2.645 30.404 28.738 -1.631 0.000 1.428 625 Q HN 1.190 nan 8.270 nan 0.000 0.402 626 A N 1.382 124.036 122.820 -0.277 0.000 2.342 626 A HA 0.704 5.028 4.320 0.007 0.000 0.323 626 A C -0.384 177.130 177.584 -0.117 0.000 1.125 626 A CA -0.321 51.648 52.037 -0.114 0.000 0.785 626 A CB 1.473 20.429 19.000 -0.074 0.000 1.221 626 A HN 0.723 nan 8.150 nan 0.000 0.463 627 T N -0.791 113.761 114.554 -0.004 0.000 2.922 627 T HA 0.631 4.985 4.350 0.007 0.000 0.285 627 T C -0.398 174.297 174.700 -0.008 0.000 1.005 627 T CA -0.550 61.542 62.100 -0.013 0.000 1.061 627 T CB 1.114 70.052 68.868 0.116 0.000 1.007 627 T HN 0.666 nan 8.240 nan 0.000 0.502 628 V N 4.261 124.073 119.914 -0.170 0.000 2.483 628 V HA 0.562 4.687 4.120 0.007 0.000 0.297 628 V C -0.266 175.749 176.094 -0.132 0.000 1.027 628 V CA -0.712 61.484 62.300 -0.172 0.000 0.855 628 V CB 1.021 32.489 31.823 -0.593 0.000 0.995 628 V HN 1.138 nan 8.190 nan 0.000 0.424 629 Q N 2.699 122.470 119.800 -0.047 0.000 2.648 629 Q HA 0.839 5.183 4.340 0.007 0.000 0.300 629 Q C -0.971 175.047 176.000 0.030 0.000 0.954 629 Q CA -0.796 54.989 55.803 -0.030 0.000 0.757 629 Q CB 2.702 31.447 28.738 0.013 0.000 1.482 629 Q HN 0.496 nan 8.270 nan 0.000 0.437 630 T N -1.353 113.235 114.554 0.056 0.000 2.598 630 T HA 0.275 4.629 4.350 0.007 0.000 0.289 630 T C -1.485 173.330 174.700 0.192 0.000 1.056 630 T CA -0.480 61.714 62.100 0.157 0.000 1.088 630 T CB 1.486 70.432 68.868 0.130 0.000 1.519 630 T HN 0.595 nan 8.240 nan 0.000 0.488 631 D N 2.084 122.656 120.400 0.288 0.000 2.210 631 D HA 0.273 4.917 4.640 0.007 0.000 0.249 631 D C -0.363 176.095 176.300 0.264 0.000 1.062 631 D CA -0.180 54.024 54.000 0.340 0.000 0.891 631 D CB 1.526 42.660 40.800 0.558 0.000 1.186 631 D HN 0.354 nan 8.370 nan 0.000 0.432 632 K N 1.274 121.808 120.400 0.223 0.000 2.218 632 K HA 0.353 4.677 4.320 0.007 0.000 0.276 632 K C -1.088 175.622 176.600 0.183 0.000 1.022 632 K CA -0.466 55.910 56.287 0.149 0.000 0.946 632 K CB 0.863 33.429 32.500 0.110 0.000 1.000 632 K HN 0.104 nan 8.250 nan 0.000 0.468 633 V N 3.442 123.417 119.914 0.102 0.000 2.656 633 V HA 0.239 4.363 4.120 0.007 0.000 0.307 633 V C -1.212 174.902 176.094 0.034 0.000 1.051 633 V CA -0.889 61.440 62.300 0.048 0.000 0.893 633 V CB 2.024 33.824 31.823 -0.039 0.000 0.999 633 V HN 0.823 nan 8.190 nan 0.000 0.426 634 D N 3.684 124.112 120.400 0.045 0.000 2.446 634 D HA 0.564 5.208 4.640 0.007 0.000 0.251 634 D C 0.695 177.026 176.300 0.053 0.000 1.137 634 D CA 0.974 55.005 54.000 0.052 0.000 0.890 634 D CB 1.539 42.382 40.800 0.071 0.000 1.071 634 D HN 0.875 nan 8.370 nan 0.000 0.528 635 G N 2.425 111.233 108.800 0.014 0.000 2.543 635 G HA2 -0.383 3.582 3.960 0.007 0.000 0.286 635 G HA3 -0.383 3.582 3.960 0.007 0.000 0.286 635 G C 1.021 175.877 174.900 -0.073 0.000 1.153 635 G CA 0.604 45.701 45.100 -0.005 0.000 0.968 635 G HN 0.670 nan 8.290 nan 0.000 0.544 636 K N 0.694 121.017 120.400 -0.127 0.000 2.374 636 K HA 0.411 4.736 4.320 0.007 0.000 0.196 636 K C 0.839 177.175 176.600 -0.440 0.000 1.023 636 K CA 1.303 57.421 56.287 -0.282 0.000 1.103 636 K CB -0.152 32.162 32.500 -0.310 0.000 0.848 636 K HN 0.861 nan 8.250 nan 0.000 0.528 637 H N -1.403 117.608 119.070 -0.099 0.000 2.621 637 H HA 0.427 4.987 4.556 0.007 0.000 0.360 637 H C -0.976 174.274 175.328 -0.130 0.000 1.163 637 H CA -1.427 54.569 56.048 -0.086 0.000 1.194 637 H CB 1.275 31.045 29.762 0.013 0.000 1.649 637 H HN 0.192 nan 8.280 nan 0.000 0.532 638 F N 0.296 120.308 119.950 0.103 0.000 2.443 638 F HA 0.163 4.694 4.527 0.007 0.000 0.353 638 F C 1.382 177.180 175.800 -0.004 0.000 1.101 638 F CA -0.270 57.736 58.000 0.010 0.000 1.226 638 F CB 1.035 39.939 39.000 -0.161 0.000 1.140 638 F HN 0.658 nan 8.300 nan 0.000 0.557 639 A N 3.693 126.639 122.820 0.209 0.000 2.169 639 A HA 0.201 4.525 4.320 0.007 0.000 0.212 639 A C 1.040 178.694 177.584 0.116 0.000 1.153 639 A CA 0.015 52.133 52.037 0.136 0.000 0.756 639 A CB -0.656 18.420 19.000 0.127 0.000 0.813 639 A HN 0.865 nan 8.150 nan 0.000 0.471 640 L N -2.472 118.791 121.223 0.067 0.000 3.548 640 L HA -0.244 4.100 4.340 0.007 0.000 0.443 640 L C 0.154 177.241 176.870 0.361 0.000 1.286 640 L CA 0.128 54.990 54.840 0.036 0.000 0.863 640 L CB -2.360 39.687 42.059 -0.019 0.000 1.734 640 L HN 0.614 nan 8.230 nan 0.000 0.873 641 A N -0.278 122.725 122.820 0.305 0.000 2.572 641 A HA 0.959 5.284 4.320 0.007 0.000 0.295 641 A C -2.592 175.119 177.584 0.212 0.000 1.072 641 A CA -1.039 51.153 52.037 0.257 0.000 0.691 641 A CB 2.142 21.231 19.000 0.149 0.000 1.291 641 A HN 0.011 nan 8.150 nan 0.000 0.404 642 P HA 0.483 nan 4.420 nan 0.000 0.279 642 P C -1.242 176.068 177.300 0.017 0.000 1.252 642 P CA -0.328 62.816 63.100 0.073 0.000 0.811 642 P CB 1.361 33.054 31.700 -0.012 0.000 1.035 643 K N 1.319 121.739 120.400 0.033 0.000 2.579 643 K HA 0.603 4.928 4.320 0.007 0.000 0.250 643 K C -0.987 175.598 176.600 -0.025 0.000 0.952 643 K CA -0.726 55.563 56.287 0.002 0.000 0.857 643 K CB 0.744 33.258 32.500 0.023 0.000 1.123 643 K HN 0.498 nan 8.250 nan 0.000 0.433 644 A N 5.299 128.096 122.820 -0.038 0.000 2.440 644 A HA 0.359 4.683 4.320 0.007 0.000 0.251 644 A C 0.324 177.869 177.584 -0.064 0.000 1.089 644 A CA -0.225 51.793 52.037 -0.031 0.000 0.779 644 A CB 0.053 19.053 19.000 -0.001 0.000 1.022 644 A HN 0.890 nan 8.150 nan 0.000 0.492 645 L N 1.092 122.232 121.223 -0.138 0.000 2.356 645 L HA 0.305 4.650 4.340 0.007 0.000 0.193 645 L C 0.416 177.340 176.870 0.091 0.000 1.087 645 L CA 0.548 55.196 54.840 -0.320 0.000 0.817 645 L CB -0.174 41.450 42.059 -0.726 0.000 1.035 645 L HN 0.930 nan 8.230 nan 0.000 0.482 646 Y N -2.025 118.252 120.300 -0.039 0.000 2.774 646 Y HA 0.583 5.137 4.550 0.007 0.000 0.346 646 Y C -1.837 174.091 175.900 0.046 0.000 1.222 646 Y CA -1.572 56.567 58.100 0.065 0.000 1.088 646 Y CB 0.877 39.433 38.460 0.159 0.000 1.354 646 Y HN -0.156 nan 8.280 nan 0.000 0.455 647 E N 0.915 121.175 120.200 0.100 0.000 2.266 647 E HA 0.491 4.846 4.350 0.007 0.000 0.268 647 E C -0.694 175.929 176.600 0.038 0.000 0.879 647 E CA -0.861 55.496 56.400 -0.071 0.000 0.762 647 E CB 2.055 31.727 29.700 -0.047 0.000 1.199 647 E HN 0.763 nan 8.360 nan 0.000 0.422 648 T N -0.916 113.581 114.554 -0.095 0.000 2.754 648 T HA 0.363 4.717 4.350 0.007 0.000 0.286 648 T C 0.550 175.155 174.700 -0.158 0.000 0.997 648 T CA -0.844 61.236 62.100 -0.033 0.000 0.982 648 T CB 0.714 69.529 68.868 -0.088 0.000 1.027 648 T HN 0.417 nan 8.240 nan 0.000 0.529 649 S N -0.372 115.269 115.700 -0.098 0.000 2.592 649 S HA 0.258 4.732 4.470 0.007 0.000 0.271 649 S C -0.608 173.892 174.600 -0.167 0.000 1.326 649 S CA -1.104 57.044 58.200 -0.087 0.000 1.024 649 S CB -0.224 62.974 63.200 -0.005 0.000 0.921 649 S HN 0.743 nan 8.310 nan 0.000 0.527 650 W N 1.680 122.934 121.300 -0.076 0.000 2.253 650 W HA 0.318 4.982 4.660 0.007 0.000 0.322 650 W C 0.987 177.395 176.519 -0.185 0.000 1.342 650 W CA -0.237 57.037 57.345 -0.118 0.000 1.218 650 W CB 0.410 29.867 29.460 -0.006 0.000 1.205 650 W HN 0.589 nan 8.180 nan 0.000 0.551 651 Q N 2.419 122.071 119.800 -0.246 0.000 2.418 651 Q HA 0.567 4.911 4.340 0.007 0.000 0.276 651 Q C -0.714 175.072 176.000 -0.357 0.000 1.081 651 Q CA -1.319 54.255 55.803 -0.382 0.000 0.864 651 Q CB 2.557 30.931 28.738 -0.607 0.000 1.384 651 Q HN 0.357 nan 8.270 nan 0.000 0.467 652 K N 0.380 120.677 120.400 -0.171 0.000 2.328 652 K HA 0.713 5.037 4.320 0.007 0.000 0.246 652 K C -1.208 175.475 176.600 0.138 0.000 0.955 652 K CA -0.711 55.498 56.287 -0.130 0.000 0.817 652 K CB 1.939 34.239 32.500 -0.334 0.000 1.208 652 K HN 0.395 nan 8.250 nan 0.000 0.432 653 I N 0.148 120.791 120.570 0.123 0.000 2.722 653 I HA 0.234 4.409 4.170 0.007 0.000 0.292 653 I C -1.586 174.551 176.117 0.034 0.000 1.267 653 I CA 0.112 61.483 61.300 0.117 0.000 1.036 653 I CB 2.601 40.693 38.000 0.154 0.000 1.281 653 I HN 0.511 nan 8.210 nan 0.000 0.423 654 T N 8.051 122.607 114.554 0.003 0.000 2.770 654 T HA 0.653 5.007 4.350 0.007 0.000 0.283 654 T C -0.555 174.130 174.700 -0.025 0.000 0.988 654 T CA -0.099 61.994 62.100 -0.013 0.000 0.957 654 T CB 0.541 69.398 68.868 -0.018 0.000 0.930 654 T HN 0.290 nan 8.240 nan 0.000 0.443 655 I N 5.936 126.485 120.570 -0.034 0.000 2.354 655 I HA 0.375 4.549 4.170 0.007 0.000 0.292 655 I C -2.276 173.813 176.117 -0.048 0.000 0.989 655 I CA -2.545 58.718 61.300 -0.061 0.000 1.188 655 I CB 1.136 39.078 38.000 -0.096 0.000 1.342 655 I HN 0.335 nan 8.210 nan 0.000 0.457 656 P HA 0.133 nan 4.420 nan 0.000 0.270 656 P C -0.511 176.771 177.300 -0.031 0.000 1.223 656 P CA -0.362 62.718 63.100 -0.033 0.000 0.785 656 P CB 0.499 32.179 31.700 -0.033 0.000 0.923 657 A N 2.126 124.935 122.820 -0.017 0.000 2.520 657 A HA 0.041 4.365 4.320 0.007 0.000 0.235 657 A C 0.415 177.992 177.584 -0.010 0.000 1.065 657 A CA 0.081 52.113 52.037 -0.009 0.000 0.764 657 A CB -1.369 17.631 19.000 0.001 0.000 1.002 657 A HN 0.777 nan 8.150 nan 0.000 0.502 658 N N -0.341 118.357 118.700 -0.003 0.000 2.707 658 N HA -0.165 4.579 4.740 0.007 0.000 0.253 658 N C -0.161 175.340 175.510 -0.015 0.000 0.998 658 N CA 1.112 54.162 53.050 0.001 0.000 0.751 658 N CB -0.711 37.783 38.487 0.012 0.000 0.920 658 N HN 0.817 nan 8.380 nan 0.000 0.539 659 S N -1.479 114.198 115.700 -0.037 0.000 2.790 659 S HA 0.829 5.303 4.470 0.007 0.000 0.292 659 S C -1.304 173.228 174.600 -0.114 0.000 1.197 659 S CA 0.016 58.182 58.200 -0.057 0.000 0.851 659 S CB 1.438 64.606 63.200 -0.054 0.000 1.217 659 S HN 0.466 nan 8.310 nan 0.000 0.526 660 S N -0.018 115.585 115.700 -0.161 0.000 2.618 660 S HA 0.911 5.386 4.470 0.007 0.000 0.277 660 S C -1.652 172.802 174.600 -0.243 0.000 1.138 660 S CA -0.672 57.343 58.200 -0.307 0.000 0.844 660 S CB 1.789 64.674 63.200 -0.525 0.000 1.127 660 S HN 0.705 nan 8.310 nan 0.000 0.474 661 K N 0.679 120.911 120.400 -0.280 0.000 2.542 661 K HA 0.528 4.852 4.320 0.007 0.000 0.259 661 K C -1.442 175.034 176.600 -0.206 0.000 0.932 661 K CA -0.793 55.379 56.287 -0.191 0.000 0.820 661 K CB 2.075 34.495 32.500 -0.134 0.000 1.345 661 K HN 0.853 nan 8.250 nan 0.000 0.432 662 Q N 0.535 120.244 119.800 -0.151 0.000 2.214 662 Q HA 0.731 5.076 4.340 0.007 0.000 0.251 662 Q C -0.276 175.652 176.000 -0.119 0.000 0.936 662 Q CA -1.041 54.681 55.803 -0.135 0.000 0.894 662 Q CB 1.943 30.625 28.738 -0.095 0.000 1.252 662 Q HN 0.568 nan 8.270 nan 0.000 0.448 663 V N -1.809 118.021 119.914 -0.139 0.000 2.876 663 V HA 0.752 4.876 4.120 0.007 0.000 0.312 663 V C -0.685 175.355 176.094 -0.089 0.000 1.085 663 V CA -0.646 61.560 62.300 -0.157 0.000 0.945 663 V CB 2.189 33.721 31.823 -0.486 0.000 1.017 663 V HN 0.710 nan 8.190 nan 0.000 0.428 664 T N 2.730 117.274 114.554 -0.017 0.000 2.841 664 T HA 0.614 4.968 4.350 0.007 0.000 0.285 664 T C -0.685 174.037 174.700 0.036 0.000 0.991 664 T CA -0.369 61.730 62.100 -0.002 0.000 0.966 664 T CB 1.583 70.450 68.868 -0.001 0.000 0.962 664 T HN 0.748 nan 8.240 nan 0.000 0.438 665 V N 6.354 126.270 119.914 0.003 0.000 2.328 665 V HA 0.349 4.473 4.120 0.007 0.000 0.278 665 V C -2.321 173.717 176.094 -0.094 0.000 1.021 665 V CA -2.126 60.169 62.300 -0.009 0.000 0.838 665 V CB 1.097 32.903 31.823 -0.028 0.000 0.999 665 V HN 0.659 nan 8.190 nan 0.000 0.447 666 P HA 0.332 nan 4.420 nan 0.000 0.276 666 P C -0.804 176.390 177.300 -0.176 0.000 1.230 666 P CA -0.077 62.953 63.100 -0.117 0.000 0.776 666 P CB 0.615 32.280 31.700 -0.059 0.000 0.888 667 I N 2.967 123.321 120.570 -0.359 0.000 2.509 667 I HA 0.398 4.572 4.170 0.007 0.000 0.293 667 I C -0.227 175.696 176.117 -0.323 0.000 1.020 667 I CA -0.418 60.618 61.300 -0.441 0.000 1.088 667 I CB 1.926 39.252 38.000 -1.123 0.000 1.267 667 I HN 0.292 nan 8.210 nan 0.000 0.430 668 D N 4.769 125.165 120.400 -0.007 0.000 2.479 668 D HA 0.527 5.171 4.640 0.007 0.000 0.246 668 D C -0.314 176.128 176.300 0.237 0.000 1.336 668 D CA -0.251 53.782 54.000 0.055 0.000 0.967 668 D CB 1.885 42.691 40.800 0.010 0.000 1.275 668 D HN 0.618 nan 8.370 nan 0.000 0.577 669 A N 2.599 125.606 122.820 0.312 0.000 2.535 669 A HA 0.181 4.505 4.320 0.007 0.000 0.273 669 A C 1.733 179.568 177.584 0.419 0.000 1.267 669 A CA 0.459 52.821 52.037 0.541 0.000 0.940 669 A CB -0.156 19.160 19.000 0.528 0.000 1.101 669 A HN 0.475 nan 8.150 nan 0.000 0.521 670 S N 0.788 116.614 115.700 0.210 0.000 2.387 670 S HA -0.229 4.245 4.470 0.007 0.000 0.230 670 S C 1.807 176.435 174.600 0.047 0.000 1.035 670 S CA 1.111 59.384 58.200 0.122 0.000 1.014 670 S CB -0.474 62.759 63.200 0.055 0.000 0.836 670 S HN 0.571 nan 8.310 nan 0.000 0.466 671 R N 0.258 120.701 120.500 -0.096 0.000 2.241 671 R HA 0.080 4.424 4.340 0.007 0.000 0.224 671 R C 1.231 177.321 176.300 -0.350 0.000 1.101 671 R CA 0.943 56.863 56.100 -0.300 0.000 0.995 671 R CB -0.555 29.425 30.300 -0.534 0.000 0.870 671 R HN 0.623 nan 8.270 nan 0.000 0.463 672 F N -0.193 119.784 119.950 0.044 0.000 2.746 672 F HA 0.025 4.556 4.527 0.007 0.000 0.297 672 F C 2.432 178.235 175.800 0.005 0.000 1.113 672 F CA 0.353 58.366 58.000 0.022 0.000 1.367 672 F CB -0.251 38.769 39.000 0.033 0.000 1.111 672 F HN -0.045 nan 8.300 nan 0.000 0.590 673 S N 0.262 116.101 115.700 0.233 0.000 2.374 673 S HA -0.292 4.182 4.470 0.007 0.000 0.227 673 S C 2.270 176.948 174.600 0.131 0.000 1.037 673 S CA 1.738 60.074 58.200 0.227 0.000 1.024 673 S CB -0.734 62.607 63.200 0.234 0.000 0.861 673 S HN 0.250 nan 8.310 nan 0.000 0.456 674 K N 1.424 121.870 120.400 0.078 0.000 2.009 674 K HA -0.135 4.189 4.320 0.007 0.000 0.210 674 K C 1.840 178.459 176.600 0.032 0.000 1.049 674 K CA 2.006 58.321 56.287 0.047 0.000 0.929 674 K CB -1.495 31.017 32.500 0.020 0.000 0.714 674 K HN 0.698 nan 8.250 nan 0.000 0.440 675 D N 0.175 120.591 120.400 0.026 0.000 2.178 675 D HA -0.003 4.641 4.640 0.007 0.000 0.202 675 D C 2.016 178.297 176.300 -0.033 0.000 0.974 675 D CA 1.251 55.256 54.000 0.010 0.000 0.841 675 D CB -0.115 40.704 40.800 0.032 0.000 0.953 675 D HN 0.322 nan 8.370 nan 0.000 0.478 676 L N 0.222 121.387 121.223 -0.095 0.000 2.072 676 L HA -0.069 4.275 4.340 0.007 0.000 0.205 676 L C 2.505 179.283 176.870 -0.154 0.000 1.079 676 L CA 0.534 55.186 54.840 -0.314 0.000 0.752 676 L CB -0.275 41.233 42.059 -0.919 0.000 0.906 676 L HN 0.013 nan 8.230 nan 0.000 0.436 677 L N -0.326 120.922 121.223 0.042 0.000 2.141 677 L HA -0.155 4.189 4.340 0.007 0.000 0.209 677 L C 2.811 179.711 176.870 0.051 0.000 1.094 677 L CA 0.885 55.812 54.840 0.145 0.000 0.763 677 L CB -0.607 41.545 42.059 0.155 0.000 0.908 677 L HN 0.232 nan 8.230 nan 0.000 0.437 678 A N -0.505 122.324 122.820 0.015 0.000 1.972 678 A HA -0.217 4.107 4.320 0.007 0.000 0.219 678 A C 2.188 179.757 177.584 -0.026 0.000 1.169 678 A CA 1.446 53.480 52.037 -0.005 0.000 0.635 678 A CB -0.232 18.764 19.000 -0.007 0.000 0.810 678 A HN 0.509 nan 8.150 nan 0.000 0.446 679 Q N -1.604 118.175 119.800 -0.036 0.000 2.259 679 Q HA 0.265 4.609 4.340 0.007 0.000 0.201 679 Q C 0.155 176.106 176.000 -0.083 0.000 0.938 679 Q CA 0.556 56.320 55.803 -0.066 0.000 0.872 679 Q CB 0.215 28.912 28.738 -0.068 0.000 0.971 679 Q HN 0.610 nan 8.270 nan 0.000 0.494 680 M N 1.543 121.139 119.600 -0.007 0.000 2.236 680 M HA 0.198 4.682 4.480 0.007 0.000 0.228 680 M C 0.332 176.700 176.300 0.113 0.000 0.906 680 M CA -0.261 55.072 55.300 0.055 0.000 0.761 680 M CB 1.042 33.775 32.600 0.222 0.000 1.439 680 M HN 0.027 nan 8.290 nan 0.000 0.394 681 K N -0.097 120.317 120.400 0.023 0.000 2.211 681 K HA -0.106 4.218 4.320 0.007 0.000 0.204 681 K C 0.504 177.122 176.600 0.030 0.000 1.047 681 K CA 1.484 57.785 56.287 0.024 0.000 0.935 681 K CB 0.023 32.511 32.500 -0.020 0.000 0.728 681 K HN 0.440 nan 8.250 nan 0.000 0.452 682 N N 1.055 119.778 118.700 0.039 0.000 2.276 682 N HA 0.138 4.882 4.740 0.007 0.000 0.212 682 N C 0.013 175.587 175.510 0.105 0.000 1.127 682 N CA 0.847 53.931 53.050 0.057 0.000 0.834 682 N CB 1.167 39.679 38.487 0.042 0.000 1.014 682 N HN 0.499 nan 8.380 nan 0.000 0.491 683 G N 0.887 109.697 108.800 0.017 0.000 2.515 683 G HA2 -0.025 3.939 3.960 0.007 0.000 0.686 683 G HA3 -0.025 3.939 3.960 0.007 0.000 0.686 683 G C -1.639 173.102 174.900 -0.265 0.000 1.274 683 G CA -0.929 43.944 45.100 -0.379 0.000 0.874 683 G HN 0.216 nan 8.290 nan 0.000 0.631 684 Y N -2.216 117.716 120.300 -0.613 0.000 2.638 684 Y HA 0.782 5.337 4.550 0.007 0.000 0.335 684 Y C -0.425 175.246 175.900 -0.382 0.000 1.155 684 Y CA -2.424 55.547 58.100 -0.214 0.000 1.046 684 Y CB 0.611 39.092 38.460 0.035 0.000 1.303 684 Y HN 0.600 nan 8.280 nan 0.000 0.460 685 F N 1.978 122.119 119.950 0.318 0.000 2.429 685 F HA 0.502 5.033 4.527 0.007 0.000 0.348 685 F C -0.050 175.864 175.800 0.191 0.000 1.109 685 F CA -0.224 57.901 58.000 0.208 0.000 1.232 685 F CB 0.800 39.904 39.000 0.174 0.000 1.157 685 F HN 0.297 nan 8.300 nan 0.000 0.564 686 L N 4.089 125.484 121.223 0.286 0.000 2.345 686 L HA 0.418 4.762 4.340 0.007 0.000 0.274 686 L C -0.495 176.492 176.870 0.196 0.000 0.999 686 L CA -0.297 54.711 54.840 0.281 0.000 0.849 686 L CB 1.088 43.346 42.059 0.332 0.000 1.220 686 L HN 0.754 nan 8.230 nan 0.000 0.422 687 E N 2.439 122.650 120.200 0.018 0.000 2.442 687 E HA 0.928 5.282 4.350 0.007 0.000 0.271 687 E C -0.492 175.653 176.600 -0.759 0.000 1.002 687 E CA -0.944 55.166 56.400 -0.484 0.000 0.864 687 E CB 2.720 32.207 29.700 -0.356 0.000 1.573 687 E HN 0.440 nan 8.360 nan 0.000 0.456 688 G N -0.634 107.448 108.800 -1.198 0.000 2.351 688 G HA2 0.336 4.300 3.960 0.007 0.000 0.279 688 G HA3 0.336 4.300 3.960 0.007 0.000 0.279 688 G C -2.000 172.411 174.900 -0.816 0.000 1.297 688 G CA -0.892 43.786 45.100 -0.704 0.000 0.886 688 G HN 0.294 nan 8.290 nan 0.000 0.493 689 F N -0.447 119.429 119.950 -0.123 0.000 2.565 689 F HA 0.644 5.175 4.527 0.007 0.000 0.313 689 F C 0.225 176.059 175.800 0.056 0.000 1.091 689 F CA -0.899 57.081 58.000 -0.033 0.000 0.915 689 F CB 2.657 41.537 39.000 -0.199 0.000 1.208 689 F HN 0.280 nan 8.300 nan 0.000 0.453 690 V N 3.674 123.765 119.914 0.294 0.000 2.364 690 V HA 0.489 4.613 4.120 0.007 0.000 0.272 690 V C -0.155 176.008 176.094 0.115 0.000 1.036 690 V CA -0.780 61.599 62.300 0.131 0.000 0.880 690 V CB 0.963 32.885 31.823 0.166 0.000 0.991 690 V HN 0.646 nan 8.190 nan 0.000 0.460 691 R N 4.213 124.667 120.500 -0.076 0.000 2.532 691 R HA 0.698 5.042 4.340 0.007 0.000 0.295 691 R C -1.403 174.877 176.300 -0.033 0.000 0.968 691 R CA -0.413 55.712 56.100 0.043 0.000 0.916 691 R CB 1.662 31.965 30.300 0.006 0.000 1.124 691 R HN 0.497 nan 8.270 nan 0.000 0.463 692 F N 1.096 121.211 119.950 0.276 0.000 2.532 692 F HA 0.520 5.051 4.527 0.007 0.000 0.321 692 F C 0.175 176.135 175.800 0.267 0.000 1.089 692 F CA -0.743 57.451 58.000 0.324 0.000 0.926 692 F CB 1.893 41.022 39.000 0.214 0.000 1.168 692 F HN 0.167 nan 8.300 nan 0.000 0.459 693 K N 1.372 122.015 120.400 0.406 0.000 2.512 693 K HA 0.309 4.633 4.320 0.007 0.000 0.263 693 K C 0.080 176.805 176.600 0.208 0.000 0.966 693 K CA -0.961 55.444 56.287 0.197 0.000 0.851 693 K CB 2.469 34.946 32.500 -0.038 0.000 1.395 693 K HN 0.446 nan 8.250 nan 0.000 0.440 694 Q N 0.601 120.477 119.800 0.127 0.000 2.245 694 Q HA -0.044 4.300 4.340 0.007 0.000 0.201 694 Q C -0.455 175.632 176.000 0.144 0.000 0.955 694 Q CA 1.406 57.298 55.803 0.148 0.000 0.870 694 Q CB 0.118 28.905 28.738 0.082 0.000 0.945 694 Q HN 0.639 nan 8.270 nan 0.000 0.461 695 D N -2.107 118.237 120.400 -0.093 0.000 2.803 695 D HA 0.167 4.811 4.640 0.007 0.000 0.218 695 D C -2.296 173.600 176.300 -0.673 0.000 1.245 695 D CA -1.634 52.096 54.000 -0.451 0.000 0.821 695 D CB 1.961 42.586 40.800 -0.293 0.000 1.626 695 D HN -0.341 nan 8.370 nan 0.000 0.487 696 P HA -0.108 nan 4.420 nan 0.000 0.218 696 P C 0.893 177.817 177.300 -0.627 0.000 1.146 696 P CA 1.710 64.091 63.100 -1.197 0.000 0.813 696 P CB 0.145 31.047 31.700 -1.330 0.000 0.778 697 K N -0.256 119.885 120.400 -0.431 0.000 2.365 697 K HA 0.005 4.329 4.320 0.007 0.000 0.197 697 K C 1.131 177.627 176.600 -0.173 0.000 1.042 697 K CA 0.902 57.042 56.287 -0.245 0.000 0.987 697 K CB -0.725 31.660 32.500 -0.192 0.000 0.779 697 K HN 0.267 nan 8.250 nan 0.000 0.484 698 K N 0.266 120.555 120.400 -0.184 0.000 2.155 698 K HA 0.458 4.783 4.320 0.007 0.000 0.237 698 K C 0.675 177.235 176.600 -0.067 0.000 1.040 698 K CA 0.161 56.386 56.287 -0.103 0.000 0.912 698 K CB 0.433 32.885 32.500 -0.081 0.000 1.137 698 K HN 0.437 nan 8.250 nan 0.000 0.498 699 E N 1.226 121.413 120.200 -0.022 0.000 2.374 699 E HA -0.013 4.341 4.350 0.007 0.000 0.260 699 E C -0.270 176.357 176.600 0.044 0.000 1.101 699 E CA -0.325 56.081 56.400 0.011 0.000 0.907 699 E CB 0.253 29.963 29.700 0.018 0.000 1.014 699 E HN 0.608 nan 8.360 nan 0.000 0.427 700 E N 0.473 120.718 120.200 0.075 0.000 2.465 700 E HA 0.089 4.443 4.350 0.007 0.000 0.260 700 E C 0.416 177.086 176.600 0.115 0.000 0.980 700 E CA -0.108 56.364 56.400 0.120 0.000 0.927 700 E CB 0.565 30.329 29.700 0.106 0.000 0.934 700 E HN 0.541 nan 8.360 nan 0.000 0.459 701 L N 5.102 126.420 121.223 0.159 0.000 2.286 701 L HA 0.287 4.631 4.340 0.007 0.000 0.203 701 L C 0.161 177.121 176.870 0.149 0.000 1.068 701 L CA 1.180 56.105 54.840 0.142 0.000 0.811 701 L CB 0.290 42.442 42.059 0.155 0.000 0.989 701 L HN 0.669 nan 8.230 nan 0.000 0.467 702 M N -1.266 118.465 119.600 0.219 0.000 2.575 702 M HA 0.489 4.973 4.480 0.007 0.000 0.284 702 M C -1.083 175.400 176.300 0.305 0.000 1.253 702 M CA -0.510 54.912 55.300 0.203 0.000 0.861 702 M CB 2.485 35.150 32.600 0.107 0.000 1.733 702 M HN 0.019 nan 8.290 nan 0.000 0.462 703 S N 1.216 117.067 115.700 0.251 0.000 2.543 703 S HA 0.790 5.264 4.470 0.007 0.000 0.271 703 S C -1.317 173.466 174.600 0.306 0.000 1.148 703 S CA -0.847 57.531 58.200 0.297 0.000 0.914 703 S CB 1.865 65.143 63.200 0.129 0.000 1.096 703 S HN 0.813 nan 8.310 nan 0.000 0.471 704 I N 3.015 123.802 120.570 0.361 0.000 2.466 704 I HA 0.600 4.774 4.170 0.007 0.000 0.289 704 I C -2.774 173.472 176.117 0.215 0.000 1.026 704 I CA -2.617 58.841 61.300 0.264 0.000 1.078 704 I CB 2.680 40.815 38.000 0.225 0.000 1.249 704 I HN 0.508 nan 8.210 nan 0.000 0.429 705 P HA 0.241 nan 4.420 nan 0.000 0.281 705 P C -1.982 175.235 177.300 -0.137 0.000 1.249 705 P CA 0.063 62.949 63.100 -0.357 0.000 0.810 705 P CB 0.927 32.314 31.700 -0.522 0.000 1.008 706 Y N 0.347 120.497 120.300 -0.251 0.000 2.512 706 Y HA 0.822 5.376 4.550 0.007 0.000 0.348 706 Y C -1.198 174.624 175.900 -0.132 0.000 0.990 706 Y CA -1.439 56.593 58.100 -0.113 0.000 1.033 706 Y CB 1.504 39.959 38.460 -0.009 0.000 1.259 706 Y HN 0.148 nan 8.280 nan 0.000 0.461 707 I N 2.857 123.426 120.570 -0.001 0.000 2.607 707 I HA 0.721 4.895 4.170 0.007 0.000 0.290 707 I C -0.212 175.985 176.117 0.135 0.000 1.129 707 I CA -0.907 60.358 61.300 -0.057 0.000 1.042 707 I CB 2.457 40.331 38.000 -0.210 0.000 1.242 707 I HN 1.017 nan 8.210 nan 0.000 0.421 708 G N 4.126 112.987 108.800 0.103 0.000 2.605 708 G HA2 0.713 4.677 3.960 0.007 0.000 0.296 708 G HA3 0.713 4.677 3.960 0.007 0.000 0.296 708 G C -2.116 172.847 174.900 0.106 0.000 1.304 708 G CA -0.471 44.626 45.100 -0.006 0.000 0.941 708 G HN 0.327 nan 8.290 nan 0.000 0.475 709 F N 1.495 121.347 119.950 -0.163 0.000 2.460 709 F HA 0.544 5.075 4.527 0.007 0.000 0.341 709 F C 0.406 176.046 175.800 -0.266 0.000 1.130 709 F CA -1.367 56.467 58.000 -0.277 0.000 0.962 709 F CB 1.788 40.582 39.000 -0.342 0.000 1.171 709 F HN 0.307 nan 8.300 nan 0.000 0.436 710 R N 4.748 124.654 120.500 -0.991 0.000 2.612 710 R HA 0.515 4.859 4.340 0.007 0.000 0.273 710 R C -0.069 175.612 176.300 -1.032 0.000 1.376 710 R CA 0.676 56.264 56.100 -0.854 0.000 1.171 710 R CB -0.655 29.069 30.300 -0.959 0.000 1.151 710 R HN 1.047 nan 8.270 nan 0.000 0.560 711 G N 1.407 109.873 108.800 -0.556 0.000 2.368 711 G HA2 -0.109 3.855 3.960 0.007 0.000 0.269 711 G HA3 -0.109 3.855 3.960 0.007 0.000 0.269 711 G C -1.779 173.196 174.900 0.124 0.000 1.291 711 G CA -0.553 44.404 45.100 -0.237 0.000 0.903 711 G HN 0.330 nan 8.290 nan 0.000 0.483 712 D N -0.308 120.245 120.400 0.254 0.000 2.432 712 D HA 0.472 5.116 4.640 0.007 0.000 0.265 712 D C 0.772 177.202 176.300 0.217 0.000 1.160 712 D CA -0.834 53.288 54.000 0.203 0.000 0.911 712 D CB 0.463 41.316 40.800 0.088 0.000 1.052 712 D HN 0.151 nan 8.370 nan 0.000 0.508 713 F N 2.745 122.733 119.950 0.064 0.000 2.065 713 F HA -0.058 4.473 4.527 0.007 0.000 0.298 713 F C 2.232 177.923 175.800 -0.182 0.000 1.112 713 F CA 2.355 60.152 58.000 -0.338 0.000 1.212 713 F CB -0.244 38.478 39.000 -0.462 0.000 0.975 713 F HN 0.446 nan 8.300 nan 0.000 0.476 714 G N -0.491 108.339 108.800 0.050 0.000 2.485 714 G HA2 -0.298 3.666 3.960 0.007 0.000 0.221 714 G HA3 -0.298 3.666 3.960 0.007 0.000 0.221 714 G C 1.288 176.141 174.900 -0.079 0.000 1.115 714 G CA 1.074 46.167 45.100 -0.011 0.000 0.751 714 G HN 0.378 nan 8.290 nan 0.000 0.567 715 N N 0.158 118.818 118.700 -0.067 0.000 2.268 715 N HA 0.175 4.919 4.740 0.007 0.000 0.204 715 N C 0.423 175.888 175.510 -0.074 0.000 1.124 715 N CA -0.123 52.895 53.050 -0.053 0.000 0.838 715 N CB 0.434 38.909 38.487 -0.019 0.000 0.994 715 N HN 0.262 nan 8.380 nan 0.000 0.489 716 L N 1.208 122.334 121.223 -0.161 0.000 2.483 716 L HA 0.024 4.368 4.340 0.007 0.000 0.276 716 L C 0.759 177.586 176.870 -0.071 0.000 1.213 716 L CA 0.133 54.887 54.840 -0.143 0.000 0.843 716 L CB 0.265 42.133 42.059 -0.317 0.000 1.107 716 L HN -0.042 nan 8.230 nan 0.000 0.487 717 S N 1.618 117.316 115.700 -0.003 0.000 2.546 717 S HA 0.074 4.548 4.470 0.007 0.000 0.290 717 S C 0.939 175.552 174.600 0.022 0.000 1.290 717 S CA -0.013 58.208 58.200 0.035 0.000 1.069 717 S CB 1.313 64.547 63.200 0.057 0.000 0.846 717 S HN 0.748 nan 8.310 nan 0.000 0.495 718 A N 2.948 125.838 122.820 0.116 0.000 2.081 718 A HA 0.287 4.612 4.320 0.007 0.000 0.214 718 A C 0.453 178.049 177.584 0.021 0.000 1.158 718 A CA 0.370 52.501 52.037 0.156 0.000 0.724 718 A CB 0.004 19.227 19.000 0.371 0.000 0.826 718 A HN 0.593 nan 8.150 nan 0.000 0.463 719 L N -0.172 120.978 121.223 -0.123 0.000 2.346 719 L HA 0.426 4.771 4.340 0.007 0.000 0.276 719 L C -0.110 176.628 176.870 -0.219 0.000 1.006 719 L CA -0.620 53.978 54.840 -0.404 0.000 0.817 719 L CB 1.708 43.410 42.059 -0.595 0.000 1.272 719 L HN 0.320 nan 8.230 nan 0.000 0.421 720 E N 3.355 123.424 120.200 -0.217 0.000 2.360 720 E HA 0.333 4.687 4.350 0.007 0.000 0.269 720 E C -0.329 176.254 176.600 -0.029 0.000 1.022 720 E CA -0.236 56.091 56.400 -0.122 0.000 0.887 720 E CB 0.736 30.399 29.700 -0.063 0.000 0.990 720 E HN 0.697 nan 8.360 nan 0.000 0.426 721 K N 4.341 124.748 120.400 0.011 0.000 2.469 721 K HA 0.122 4.446 4.320 0.007 0.000 0.274 721 K C -2.534 174.104 176.600 0.063 0.000 0.983 721 K CA -0.847 55.463 56.287 0.039 0.000 0.974 721 K CB -0.692 31.830 32.500 0.036 0.000 0.913 721 K HN 0.434 nan 8.250 nan 0.000 0.493 722 P HA -0.011 nan 4.420 nan 0.000 0.265 722 P C 0.761 178.035 177.300 -0.045 0.000 1.187 722 P CA -0.317 62.872 63.100 0.149 0.000 0.766 722 P CB 0.388 32.332 31.700 0.407 0.000 0.820 723 I N 3.409 123.774 120.570 -0.341 0.000 2.335 723 I HA -0.272 3.902 4.170 0.007 0.000 0.251 723 I C 1.489 177.385 176.117 -0.369 0.000 1.129 723 I CA 1.551 62.519 61.300 -0.554 0.000 1.402 723 I CB -0.718 36.441 38.000 -1.402 0.000 1.069 723 I HN 0.381 nan 8.210 nan 0.000 0.424 724 Y N 0.089 120.325 120.300 -0.107 0.000 2.333 724 Y HA -0.212 4.342 4.550 0.007 0.000 0.290 724 Y C 2.053 177.958 175.900 0.009 0.000 1.144 724 Y CA 1.046 59.135 58.100 -0.019 0.000 1.228 724 Y CB -0.629 37.882 38.460 0.085 0.000 0.985 724 Y HN 0.208 nan 8.280 nan 0.000 0.542 725 D N -0.492 120.002 120.400 0.157 0.000 2.349 725 D HA -0.030 4.614 4.640 0.007 0.000 0.215 725 D C 0.596 176.927 176.300 0.052 0.000 1.016 725 D CA 0.390 54.449 54.000 0.099 0.000 0.870 725 D CB -0.086 40.761 40.800 0.079 0.000 0.917 725 D HN 0.033 nan 8.370 nan 0.000 0.524 726 S N 0.316 116.030 115.700 0.023 0.000 2.498 726 S HA 0.277 4.751 4.470 0.007 0.000 0.281 726 S C 1.453 176.068 174.600 0.024 0.000 1.265 726 S CA -0.041 58.168 58.200 0.015 0.000 1.071 726 S CB 1.073 64.270 63.200 -0.005 0.000 0.894 726 S HN 0.258 nan 8.310 nan 0.000 0.491 727 K N 3.496 123.911 120.400 0.025 0.000 2.057 727 K HA -0.133 4.191 4.320 0.007 0.000 0.207 727 K C 1.150 177.763 176.600 0.023 0.000 1.049 727 K CA 1.936 58.237 56.287 0.025 0.000 0.931 727 K CB -0.984 31.527 32.500 0.019 0.000 0.714 727 K HN 0.961 nan 8.250 nan 0.000 0.440 728 D N -2.754 117.658 120.400 0.020 0.000 2.340 728 D HA 0.236 4.880 4.640 0.007 0.000 0.217 728 D C 1.072 177.384 176.300 0.021 0.000 1.081 728 D CA 0.596 54.606 54.000 0.018 0.000 0.842 728 D CB -0.112 40.695 40.800 0.013 0.000 0.934 728 D HN 0.627 nan 8.370 nan 0.000 0.511 729 G N -0.668 108.146 108.800 0.022 0.000 2.184 729 G HA2 -0.276 3.688 3.960 0.007 0.000 0.264 729 G HA3 -0.276 3.688 3.960 0.007 0.000 0.264 729 G C 0.346 175.281 174.900 0.060 0.000 0.975 729 G CA 0.510 45.626 45.100 0.027 0.000 0.642 729 G HN 0.478 nan 8.290 nan 0.000 0.536 730 S N -0.678 115.051 115.700 0.048 0.000 2.718 730 S HA 0.911 5.385 4.470 0.007 0.000 0.300 730 S C 0.288 174.952 174.600 0.105 0.000 1.117 730 S CA 0.232 58.479 58.200 0.077 0.000 1.002 730 S CB 2.123 65.331 63.200 0.015 0.000 1.092 730 S HN 1.512 nan 8.310 nan 0.000 0.542 731 S N 0.023 115.822 115.700 0.165 0.000 2.794 731 S HA 0.458 4.932 4.470 0.007 0.000 0.299 731 S C 0.269 174.978 174.600 0.183 0.000 1.179 731 S CA -0.647 57.662 58.200 0.181 0.000 0.838 731 S CB 0.151 63.493 63.200 0.236 0.000 1.206 731 S HN 0.613 nan 8.310 nan 0.000 0.523 732 Y N 0.678 121.005 120.300 0.044 0.000 2.151 732 Y HA -0.099 4.455 4.550 0.007 0.000 0.284 732 Y C 1.411 177.237 175.900 -0.123 0.000 1.166 732 Y CA 1.858 59.908 58.100 -0.083 0.000 1.163 732 Y CB -0.348 37.983 38.460 -0.216 0.000 0.974 732 Y HN 0.742 nan 8.280 nan 0.000 0.511 733 Y N -2.434 117.974 120.300 0.180 0.000 2.467 733 Y HA 0.160 4.714 4.550 0.007 0.000 0.250 733 Y C -0.131 175.835 175.900 0.110 0.000 1.155 733 Y CA -0.104 58.031 58.100 0.060 0.000 1.249 733 Y CB 0.298 38.813 38.460 0.091 0.000 1.146 733 Y HN 0.019 nan 8.280 nan 0.000 0.524 734 H N 0.161 119.339 119.070 0.181 0.000 2.744 734 H HA 0.338 4.898 4.556 0.007 0.000 0.339 734 H C -0.973 174.414 175.328 0.099 0.000 1.004 734 H CA -0.698 55.449 56.048 0.165 0.000 1.257 734 H CB 0.930 30.891 29.762 0.331 0.000 1.552 734 H HN -0.115 nan 8.280 nan 0.000 0.522 735 E N 3.132 123.080 120.200 -0.420 0.000 2.216 735 E HA 0.470 4.825 4.350 0.007 0.000 0.279 735 E C -0.350 175.918 176.600 -0.553 0.000 0.997 735 E CA -0.526 55.668 56.400 -0.343 0.000 0.817 735 E CB 1.727 31.320 29.700 -0.177 0.000 1.096 735 E HN 0.754 nan 8.360 nan 0.000 0.393 736 A N 2.436 125.088 122.820 -0.280 0.000 2.259 736 A HA 0.513 4.837 4.320 0.007 0.000 0.278 736 A C 0.520 178.051 177.584 -0.087 0.000 1.107 736 A CA 0.109 52.055 52.037 -0.151 0.000 0.828 736 A CB -0.001 18.983 19.000 -0.025 0.000 1.111 736 A HN 0.713 nan 8.150 nan 0.000 0.498 737 N N 0.007 118.690 118.700 -0.029 0.000 2.558 737 N HA 0.393 5.137 4.740 0.007 0.000 0.233 737 N C 0.997 176.507 175.510 0.001 0.000 1.038 737 N CA 0.198 53.238 53.050 -0.017 0.000 0.934 737 N CB 0.411 38.889 38.487 -0.015 0.000 1.175 737 N HN 1.196 nan 8.380 nan 0.000 0.512 738 S N -0.637 115.061 115.700 -0.004 0.000 2.407 738 S HA -0.250 4.224 4.470 0.007 0.000 0.235 738 S C 1.621 176.230 174.600 0.015 0.000 1.036 738 S CA 2.222 60.425 58.200 0.005 0.000 1.013 738 S CB -0.783 62.418 63.200 0.002 0.000 0.820 738 S HN 0.830 nan 8.310 nan 0.000 0.476 739 D N 0.747 121.157 120.400 0.017 0.000 2.269 739 D HA 0.526 5.170 4.640 0.007 0.000 0.208 739 D C 1.008 177.331 176.300 0.037 0.000 0.963 739 D CA 1.025 55.039 54.000 0.024 0.000 0.864 739 D CB -0.372 40.442 40.800 0.024 0.000 0.936 739 D HN 1.016 nan 8.370 nan 0.000 0.505 740 A N -0.650 122.200 122.820 0.050 0.000 3.007 740 A HA 0.495 4.819 4.320 0.007 0.000 0.314 740 A C 1.126 178.767 177.584 0.096 0.000 1.153 740 A CA -0.179 51.913 52.037 0.092 0.000 0.780 740 A CB 0.818 19.914 19.000 0.161 0.000 1.258 740 A HN 0.030 nan 8.150 nan 0.000 0.460 741 K N 0.024 120.467 120.400 0.072 0.000 2.360 741 K HA -0.069 4.255 4.320 0.007 0.000 0.201 741 K C 0.557 177.210 176.600 0.089 0.000 1.046 741 K CA 1.657 57.983 56.287 0.065 0.000 0.940 741 K CB -0.170 32.357 32.500 0.045 0.000 0.748 741 K HN 0.748 nan 8.250 nan 0.000 0.465 742 D N -0.266 120.215 120.400 0.136 0.000 2.349 742 D HA 0.001 4.645 4.640 0.007 0.000 0.214 742 D C 0.504 176.945 176.300 0.236 0.000 1.063 742 D CA 0.118 54.221 54.000 0.173 0.000 0.847 742 D CB 0.157 41.053 40.800 0.160 0.000 0.933 742 D HN 0.439 nan 8.370 nan 0.000 0.513 743 Q N 1.209 121.124 119.800 0.191 0.000 2.313 743 Q HA 0.211 4.555 4.340 0.007 0.000 0.266 743 Q C -0.881 175.115 176.000 -0.006 0.000 0.989 743 Q CA 0.062 55.826 55.803 -0.064 0.000 0.890 743 Q CB 0.556 29.216 28.738 -0.131 0.000 1.200 743 Q HN -0.009 nan 8.270 nan 0.000 0.396 744 L N 5.329 126.550 121.223 -0.004 0.000 2.457 744 L HA 0.309 4.654 4.340 0.007 0.000 0.259 744 L C -1.547 175.449 176.870 0.209 0.000 1.377 744 L CA -0.335 54.567 54.840 0.103 0.000 0.887 744 L CB 1.140 43.236 42.059 0.062 0.000 1.085 744 L HN 0.646 nan 8.230 nan 0.000 0.509 745 D N 1.140 121.654 120.400 0.191 0.000 2.378 745 D HA 0.365 5.009 4.640 0.007 0.000 0.238 745 D C 0.649 177.047 176.300 0.163 0.000 1.180 745 D CA 0.631 54.742 54.000 0.185 0.000 0.895 745 D CB 1.174 42.098 40.800 0.207 0.000 1.192 745 D HN 0.522 nan 8.370 nan 0.000 0.438 746 G N 0.023 108.769 108.800 -0.091 0.000 2.574 746 G HA2 0.059 4.023 3.960 0.007 0.000 0.248 746 G HA3 0.059 4.023 3.960 0.007 0.000 0.248 746 G C 0.445 175.241 174.900 -0.173 0.000 1.422 746 G CA -0.266 44.670 45.100 -0.274 0.000 1.051 746 G HN 0.273 nan 8.290 nan 0.000 0.560 747 D N -0.161 120.078 120.400 -0.268 0.000 2.218 747 D HA 0.117 4.761 4.640 0.007 0.000 0.204 747 D C 1.966 178.199 176.300 -0.112 0.000 0.976 747 D CA 1.582 55.477 54.000 -0.174 0.000 0.853 747 D CB -0.431 40.242 40.800 -0.211 0.000 0.939 747 D HN 0.789 nan 8.370 nan 0.000 0.481 748 G N 0.590 109.318 108.800 -0.120 0.000 2.596 748 G HA2 -0.330 3.634 3.960 0.007 0.000 0.295 748 G HA3 -0.330 3.634 3.960 0.007 0.000 0.295 748 G C 0.388 175.248 174.900 -0.066 0.000 1.240 748 G CA 0.239 45.296 45.100 -0.072 0.000 0.985 748 G HN 0.343 nan 8.290 nan 0.000 0.555 749 L N 2.049 123.249 121.223 -0.038 0.000 2.872 749 L HA 0.241 4.585 4.340 0.007 0.000 0.245 749 L C 1.560 178.425 176.870 -0.009 0.000 1.211 749 L CA 0.203 55.025 54.840 -0.029 0.000 1.013 749 L CB -0.103 41.944 42.059 -0.020 0.000 1.326 749 L HN 0.711 nan 8.230 nan 0.000 0.525 750 Q N -0.767 119.022 119.800 -0.018 0.000 2.395 750 Q HA -0.073 4.271 4.340 0.007 0.000 0.271 750 Q C 0.598 176.590 176.000 -0.013 0.000 1.026 750 Q CA 0.164 55.969 55.803 0.003 0.000 0.900 750 Q CB 0.718 29.449 28.738 -0.011 0.000 1.266 750 Q HN 0.181 nan 8.270 nan 0.000 0.430 751 F N 1.579 121.439 119.950 -0.150 0.000 2.274 751 F HA 0.213 4.744 4.527 0.007 0.000 0.288 751 F C -0.173 175.390 175.800 -0.394 0.000 1.069 751 F CA 0.106 57.920 58.000 -0.310 0.000 1.343 751 F CB 0.442 39.178 39.000 -0.440 0.000 1.089 751 F HN 0.579 nan 8.300 nan 0.000 0.517 752 Y N -0.471 119.776 120.300 -0.087 0.000 2.453 752 Y HA 0.554 5.108 4.550 0.007 0.000 0.326 752 Y C 0.474 176.283 175.900 -0.151 0.000 1.186 752 Y CA -0.917 57.078 58.100 -0.175 0.000 1.200 752 Y CB 1.163 39.594 38.460 -0.049 0.000 1.247 752 Y HN -0.074 nan 8.280 nan 0.000 0.482 753 A N 2.931 125.752 122.820 0.001 0.000 3.293 753 A HA 0.316 4.641 4.320 0.007 0.000 0.282 753 A C 0.636 178.172 177.584 -0.080 0.000 1.394 753 A CA -0.159 51.836 52.037 -0.071 0.000 1.118 753 A CB -0.979 17.946 19.000 -0.125 0.000 1.133 753 A HN 0.958 nan 8.150 nan 0.000 0.627 754 L N -0.821 120.379 121.223 -0.039 0.000 2.341 754 L HA 0.054 4.398 4.340 0.007 0.000 0.214 754 L C 1.092 177.922 176.870 -0.066 0.000 1.115 754 L CA 0.866 55.662 54.840 -0.073 0.000 0.820 754 L CB -0.045 41.986 42.059 -0.046 0.000 0.944 754 L HN 0.374 nan 8.230 nan 0.000 0.452 755 K N 0.153 120.531 120.400 -0.035 0.000 2.106 755 K HA 0.234 4.558 4.320 0.007 0.000 0.246 755 K C -0.059 176.488 176.600 -0.089 0.000 0.987 755 K CA -0.804 55.483 56.287 0.001 0.000 0.904 755 K CB 0.740 33.275 32.500 0.059 0.000 1.071 755 K HN -0.063 nan 8.250 nan 0.000 0.453 756 N N 1.835 120.480 118.700 -0.091 0.000 2.738 756 N HA -0.186 4.558 4.740 0.007 0.000 0.249 756 N C -1.275 173.508 175.510 -1.212 0.000 1.047 756 N CA 0.513 53.176 53.050 -0.645 0.000 0.707 756 N CB -1.325 36.968 38.487 -0.325 0.000 0.937 756 N HN 0.581 nan 8.380 nan 0.000 0.545 757 N N 0.941 119.253 118.700 -0.646 0.000 2.558 757 N HA 0.373 5.117 4.740 0.007 0.000 0.233 757 N C -0.261 175.089 175.510 -0.267 0.000 1.038 757 N CA 0.133 52.897 53.050 -0.477 0.000 0.934 757 N CB 0.218 38.565 38.487 -0.233 0.000 1.175 757 N HN 0.259 nan 8.380 nan 0.000 0.512 758 F N -1.978 117.921 119.950 -0.084 0.000 2.831 758 F HA 0.430 4.961 4.527 0.007 0.000 0.318 758 F C -0.136 175.576 175.800 -0.148 0.000 1.174 758 F CA -1.298 56.649 58.000 -0.089 0.000 0.918 758 F CB 0.286 39.168 39.000 -0.196 0.000 1.364 758 F HN -0.197 nan 8.300 nan 0.000 0.475 759 T N 1.488 116.183 114.554 0.235 0.000 2.817 759 T HA 0.768 5.122 4.350 0.007 0.000 0.293 759 T C -0.118 174.669 174.700 0.146 0.000 0.964 759 T CA 0.698 62.878 62.100 0.133 0.000 1.085 759 T CB 0.682 69.640 68.868 0.150 0.000 0.921 759 T HN 1.110 nan 8.240 nan 0.000 0.502 760 A N 3.107 126.022 122.820 0.158 0.000 2.457 760 A HA 0.726 5.050 4.320 0.007 0.000 0.305 760 A C -2.088 175.614 177.584 0.196 0.000 1.110 760 A CA -0.833 51.285 52.037 0.136 0.000 0.616 760 A CB 0.717 19.633 19.000 -0.140 0.000 1.371 760 A HN 0.657 nan 8.150 nan 0.000 0.525 761 L N 1.085 122.462 121.223 0.258 0.000 2.362 761 L HA 0.679 5.024 4.340 0.007 0.000 0.271 761 L C 0.272 177.286 176.870 0.240 0.000 1.002 761 L CA -0.616 54.304 54.840 0.133 0.000 0.818 761 L CB 2.318 44.314 42.059 -0.106 0.000 1.298 761 L HN 0.998 nan 8.230 nan 0.000 0.420 762 T N -1.667 112.974 114.554 0.145 0.000 2.952 762 T HA 0.737 5.091 4.350 0.007 0.000 0.286 762 T C -0.257 174.379 174.700 -0.106 0.000 1.024 762 T CA -0.613 61.496 62.100 0.014 0.000 1.029 762 T CB 2.508 71.366 68.868 -0.017 0.000 1.094 762 T HN 0.643 nan 8.240 nan 0.000 0.515 763 T N -0.447 113.928 114.554 -0.298 0.000 2.665 763 T HA 0.472 4.826 4.350 0.007 0.000 0.303 763 T C -1.984 172.412 174.700 -0.506 0.000 1.334 763 T CA -0.724 61.010 62.100 -0.610 0.000 1.011 763 T CB 1.725 70.306 68.868 -0.479 0.000 1.573 763 T HN 0.800 nan 8.240 nan 0.000 0.492 764 E N 0.701 120.586 120.200 -0.524 0.000 2.266 764 E HA 0.535 4.889 4.350 0.007 0.000 0.268 764 E C -1.448 175.024 176.600 -0.213 0.000 0.879 764 E CA -0.786 55.433 56.400 -0.302 0.000 0.762 764 E CB 2.106 31.694 29.700 -0.187 0.000 1.199 764 E HN 0.430 nan 8.360 nan 0.000 0.422 765 S N 2.392 117.998 115.700 -0.157 0.000 2.429 765 S HA 0.331 4.805 4.470 0.007 0.000 0.302 765 S C -0.798 173.778 174.600 -0.040 0.000 1.115 765 S CA -0.649 57.519 58.200 -0.054 0.000 1.095 765 S CB 0.318 63.523 63.200 0.007 0.000 0.987 765 S HN 0.439 nan 8.310 nan 0.000 0.474 766 N N 5.414 124.105 118.700 -0.015 0.000 2.524 766 N HA 0.501 5.245 4.740 0.007 0.000 0.261 766 N C -2.734 172.769 175.510 -0.012 0.000 0.998 766 N CA -1.783 51.249 53.050 -0.029 0.000 0.915 766 N CB 1.811 40.279 38.487 -0.031 0.000 1.187 766 N HN 0.399 nan 8.380 nan 0.000 0.507 767 P HA 0.014 nan 4.420 nan 0.000 0.269 767 P C 1.438 178.665 177.300 -0.123 0.000 1.215 767 P CA -0.333 62.741 63.100 -0.042 0.000 0.780 767 P CB 0.562 32.204 31.700 -0.096 0.000 0.898 768 W N 3.246 124.465 121.300 -0.134 0.000 2.325 768 W HA -0.203 4.460 4.660 0.007 0.000 0.299 768 W C 1.114 177.374 176.519 -0.432 0.000 1.215 768 W CA 2.228 59.369 57.345 -0.340 0.000 1.244 768 W CB -2.698 26.570 29.460 -0.319 0.000 1.140 768 W HN 0.378 nan 8.180 nan 0.000 0.523 769 T N -0.322 113.400 114.554 -1.386 0.000 2.788 769 T HA -0.180 4.174 4.350 0.007 0.000 0.268 769 T C 1.996 176.340 174.700 -0.594 0.000 1.044 769 T CA 1.878 63.235 62.100 -1.238 0.000 1.139 769 T CB -0.795 67.386 68.868 -1.145 0.000 0.867 769 T HN 0.287 nan 8.240 nan 0.000 0.454 770 I N 0.418 120.733 120.570 -0.427 0.000 2.406 770 I HA 0.064 4.238 4.170 0.007 0.000 0.249 770 I C 2.482 178.484 176.117 -0.192 0.000 1.122 770 I CA 0.752 61.898 61.300 -0.256 0.000 1.431 770 I CB -0.299 37.588 38.000 -0.189 0.000 1.087 770 I HN 0.191 nan 8.210 nan 0.000 0.424 771 I N 1.067 121.520 120.570 -0.194 0.000 2.163 771 I HA -0.340 3.834 4.170 0.007 0.000 0.243 771 I C 2.668 178.732 176.117 -0.089 0.000 1.085 771 I CA 1.552 62.791 61.300 -0.103 0.000 1.347 771 I CB -0.402 37.566 38.000 -0.053 0.000 1.044 771 I HN 0.213 nan 8.210 nan 0.000 0.408 772 K N 1.356 121.622 120.400 -0.223 0.000 2.009 772 K HA -0.218 4.106 4.320 0.007 0.000 0.210 772 K C 2.242 178.817 176.600 -0.041 0.000 1.049 772 K CA 1.709 57.946 56.287 -0.083 0.000 0.929 772 K CB -0.187 32.222 32.500 -0.152 0.000 0.714 772 K HN 0.279 nan 8.250 nan 0.000 0.440 773 A N 0.669 123.419 122.820 -0.117 0.000 1.908 773 A HA -0.135 4.189 4.320 0.007 0.000 0.218 773 A C 2.261 179.813 177.584 -0.053 0.000 1.181 773 A CA 1.848 53.831 52.037 -0.089 0.000 0.627 773 A CB -0.701 18.220 19.000 -0.130 0.000 0.818 773 A HN 0.214 nan 8.150 nan 0.000 0.445 774 V N -0.389 119.493 119.914 -0.053 0.000 2.358 774 V HA -0.214 3.910 4.120 0.007 0.000 0.246 774 V C 2.474 178.567 176.094 -0.002 0.000 1.047 774 V CA 2.369 64.651 62.300 -0.029 0.000 1.035 774 V CB -0.575 31.231 31.823 -0.030 0.000 0.658 774 V HN 0.484 nan 8.190 nan 0.000 0.452 775 K N 0.182 120.594 120.400 0.021 0.000 2.209 775 K HA -0.120 4.204 4.320 0.007 0.000 0.204 775 K C 1.906 178.528 176.600 0.036 0.000 1.048 775 K CA 1.114 57.428 56.287 0.046 0.000 0.940 775 K CB -0.137 32.422 32.500 0.098 0.000 0.729 775 K HN 0.569 nan 8.250 nan 0.000 0.451 776 E N -1.152 119.064 120.200 0.027 0.000 2.478 776 E HA 0.080 4.435 4.350 0.007 0.000 0.194 776 E C 0.552 177.154 176.600 0.004 0.000 1.045 776 E CA 0.404 56.816 56.400 0.020 0.000 0.868 776 E CB 0.416 30.128 29.700 0.019 0.000 0.885 776 E HN 0.399 nan 8.360 nan 0.000 0.505 777 G N 1.484 110.282 108.800 -0.003 0.000 2.137 777 G HA2 -0.267 3.697 3.960 0.007 0.000 0.237 777 G HA3 -0.267 3.697 3.960 0.007 0.000 0.237 777 G C 0.294 175.182 174.900 -0.018 0.000 1.002 777 G CA 0.060 45.154 45.100 -0.009 0.000 0.702 777 G HN 0.157 nan 8.290 nan 0.000 0.515 778 V N 0.310 120.208 119.914 -0.027 0.000 2.521 778 V HA 0.514 4.638 4.120 0.007 0.000 0.286 778 V C 1.573 177.644 176.094 -0.039 0.000 1.034 778 V CA 1.383 63.661 62.300 -0.036 0.000 1.045 778 V CB 0.585 32.377 31.823 -0.051 0.000 0.974 778 V HN 0.755 nan 8.190 nan 0.000 0.480 779 E N 4.199 124.378 120.200 -0.036 0.000 2.060 779 E HA -0.027 4.327 4.350 0.007 0.000 0.189 779 E C 0.844 177.418 176.600 -0.042 0.000 0.974 779 E CA 0.699 57.078 56.400 -0.035 0.000 0.808 779 E CB -0.067 29.615 29.700 -0.029 0.000 0.768 779 E HN 0.715 nan 8.360 nan 0.000 0.453 780 N N 0.278 118.951 118.700 -0.045 0.000 2.527 780 N HA 0.412 5.156 4.740 0.007 0.000 0.236 780 N C 0.265 175.738 175.510 -0.062 0.000 0.999 780 N CA -0.036 52.984 53.050 -0.050 0.000 0.935 780 N CB 1.611 40.071 38.487 -0.045 0.000 1.132 780 N HN 0.328 nan 8.380 nan 0.000 0.511 781 I N 0.068 120.596 120.570 -0.069 0.000 2.899 781 I HA 0.026 4.200 4.170 0.007 0.000 0.257 781 I C 1.041 177.103 176.117 -0.092 0.000 1.115 781 I CA 0.085 61.332 61.300 -0.088 0.000 1.451 781 I CB 0.131 38.073 38.000 -0.096 0.000 1.251 781 I HN 0.374 nan 8.210 nan 0.000 0.456 782 E N 2.143 122.293 120.200 -0.082 0.000 2.585 782 E HA -0.046 4.309 4.350 0.007 0.000 0.252 782 E C 0.465 177.019 176.600 -0.077 0.000 0.981 782 E CA 1.033 57.385 56.400 -0.081 0.000 0.943 782 E CB -0.028 29.631 29.700 -0.068 0.000 0.923 782 E HN 0.449 nan 8.360 nan 0.000 0.486 783 D N 2.923 123.272 120.400 -0.085 0.000 3.012 783 D HA -0.220 4.425 4.640 0.007 0.000 0.222 783 D C 0.413 176.665 176.300 -0.080 0.000 1.167 783 D CA 1.534 55.486 54.000 -0.080 0.000 0.854 783 D CB -2.015 38.746 40.800 -0.066 0.000 1.107 783 D HN 0.494 nan 8.370 nan 0.000 0.421 784 I N -2.284 118.233 120.570 -0.088 0.000 3.620 784 I HA 0.177 4.352 4.170 0.007 0.000 0.255 784 I C 2.151 178.209 176.117 -0.098 0.000 1.124 784 I CA 0.440 61.690 61.300 -0.083 0.000 1.526 784 I CB 0.218 38.176 38.000 -0.070 0.000 1.681 784 I HN 0.122 nan 8.210 nan 0.000 0.420 785 E N 0.965 121.101 120.200 -0.108 0.000 2.230 785 E HA 0.015 4.369 4.350 0.007 0.000 0.192 785 E C 0.572 177.071 176.600 -0.169 0.000 0.987 785 E CA 0.452 56.776 56.400 -0.126 0.000 0.841 785 E CB 0.457 30.084 29.700 -0.122 0.000 0.783 785 E HN 0.245 nan 8.360 nan 0.000 0.481 786 S N -1.948 113.645 115.700 -0.178 0.000 2.579 786 S HA 0.349 4.823 4.470 0.007 0.000 0.272 786 S C 0.153 174.639 174.600 -0.189 0.000 1.141 786 S CA -0.137 57.930 58.200 -0.222 0.000 0.843 786 S CB 1.113 64.144 63.200 -0.283 0.000 1.122 786 S HN 0.102 nan 8.310 nan 0.000 0.468 787 S N 1.208 116.786 115.700 -0.204 0.000 2.556 787 S HA 0.325 4.800 4.470 0.007 0.000 0.216 787 S C 0.166 174.685 174.600 -0.134 0.000 0.970 787 S CA -0.345 57.758 58.200 -0.163 0.000 0.912 787 S CB -0.327 62.764 63.200 -0.182 0.000 0.790 787 S HN 0.712 nan 8.310 nan 0.000 0.504 788 E N 1.361 121.466 120.200 -0.157 0.000 2.280 788 E HA 0.633 4.988 4.350 0.007 0.000 0.264 788 E C -0.255 176.277 176.600 -0.113 0.000 1.064 788 E CA -0.867 55.461 56.400 -0.120 0.000 0.900 788 E CB 1.428 31.040 29.700 -0.147 0.000 1.123 788 E HN 0.565 nan 8.360 nan 0.000 0.418 789 I N -2.665 117.856 120.570 -0.082 0.000 2.785 789 I HA 0.442 4.616 4.170 0.007 0.000 0.302 789 I C -0.522 175.549 176.117 -0.077 0.000 1.069 789 I CA -0.888 60.363 61.300 -0.081 0.000 1.045 789 I CB 2.286 40.246 38.000 -0.067 0.000 1.236 789 I HN 0.153 nan 8.210 nan 0.000 0.429 790 T N 3.320 117.825 114.554 -0.082 0.000 2.794 790 T HA 0.250 4.604 4.350 0.007 0.000 0.296 790 T C -0.393 174.252 174.700 -0.092 0.000 0.949 790 T CA -0.027 62.025 62.100 -0.080 0.000 1.101 790 T CB 0.399 69.222 68.868 -0.075 0.000 0.905 790 T HN 0.685 nan 8.240 nan 0.000 0.516 791 E N 2.246 122.378 120.200 -0.112 0.000 2.266 791 E HA 0.349 4.703 4.350 0.007 0.000 0.268 791 E C -0.907 175.562 176.600 -0.218 0.000 0.879 791 E CA -0.709 55.596 56.400 -0.159 0.000 0.762 791 E CB 1.267 30.863 29.700 -0.174 0.000 1.199 791 E HN 0.408 nan 8.360 nan 0.000 0.422 792 T N 4.952 119.363 114.554 -0.239 0.000 2.794 792 T HA 0.393 4.747 4.350 0.007 0.000 0.296 792 T C 0.195 174.620 174.700 -0.459 0.000 0.949 792 T CA -0.161 61.762 62.100 -0.295 0.000 1.101 792 T CB -0.139 68.582 68.868 -0.245 0.000 0.905 792 T HN 0.431 nan 8.240 nan 0.000 0.516 793 I N -1.163 119.088 120.570 -0.531 0.000 3.322 793 I HA 0.752 4.926 4.170 0.007 0.000 0.313 793 I C -1.109 174.584 176.117 -0.706 0.000 1.129 793 I CA -1.720 59.165 61.300 -0.691 0.000 0.963 793 I CB 1.604 39.202 38.000 -0.669 0.000 1.273 793 I HN 0.320 nan 8.210 nan 0.000 0.473 794 F N 1.752 121.622 119.950 -0.134 0.000 2.394 794 F HA 0.665 5.196 4.527 0.007 0.000 0.340 794 F C 1.008 176.792 175.800 -0.026 0.000 1.105 794 F CA -0.541 57.450 58.000 -0.015 0.000 1.124 794 F CB 1.573 40.622 39.000 0.081 0.000 1.145 794 F HN 0.613 nan 8.300 nan 0.000 0.505 795 A N 2.068 124.981 122.820 0.155 0.000 2.520 795 A HA 0.417 4.741 4.320 0.007 0.000 0.235 795 A C 1.272 178.906 177.584 0.082 0.000 1.065 795 A CA 0.528 52.575 52.037 0.016 0.000 0.764 795 A CB -0.624 18.366 19.000 -0.017 0.000 1.002 795 A HN 1.560 nan 8.150 nan 0.000 0.502 796 G N 0.548 109.324 108.800 -0.039 0.000 2.176 796 G HA2 -0.142 3.823 3.960 0.007 0.000 0.253 796 G HA3 -0.142 3.823 3.960 0.007 0.000 0.253 796 G C 0.481 175.478 174.900 0.163 0.000 0.979 796 G CA 1.229 46.393 45.100 0.107 0.000 0.641 796 G HN 2.253 nan 8.290 nan 0.000 0.530 797 T N -1.562 112.918 114.554 -0.123 0.000 2.918 797 T HA 0.814 5.168 4.350 0.007 0.000 0.286 797 T C -0.619 173.826 174.700 -0.426 0.000 1.026 797 T CA -0.855 61.282 62.100 0.062 0.000 1.031 797 T CB 2.344 71.373 68.868 0.268 0.000 1.046 797 T HN 0.604 nan 8.240 nan 0.000 0.479 798 F N -0.001 120.133 119.950 0.307 0.000 2.619 798 F HA 0.702 5.233 4.527 0.007 0.000 0.308 798 F C 0.307 176.068 175.800 -0.065 0.000 1.097 798 F CA -1.237 56.752 58.000 -0.018 0.000 0.953 798 F CB 1.772 40.500 39.000 -0.454 0.000 1.287 798 F HN 0.981 nan 8.300 nan 0.000 0.446 799 A N 2.027 124.738 122.820 -0.182 0.000 2.287 799 A HA 0.609 4.934 4.320 0.007 0.000 0.273 799 A C -0.145 177.541 177.584 0.169 0.000 1.091 799 A CA -0.630 51.255 52.037 -0.254 0.000 0.817 799 A CB 0.531 19.222 19.000 -0.515 0.000 1.069 799 A HN 0.776 nan 8.150 nan 0.000 0.492 800 K N -0.249 120.251 120.400 0.166 0.000 2.107 800 K HA 0.136 4.460 4.320 0.007 0.000 0.251 800 K C 1.033 177.657 176.600 0.040 0.000 1.012 800 K CA -0.243 56.127 56.287 0.138 0.000 0.920 800 K CB 0.771 33.343 32.500 0.120 0.000 1.033 800 K HN 0.839 nan 8.250 nan 0.000 0.478 801 Q N 0.872 120.684 119.800 0.020 0.000 2.135 801 Q HA -0.158 4.187 4.340 0.007 0.000 0.204 801 Q C -0.397 175.596 176.000 -0.012 0.000 0.981 801 Q CA 1.522 57.307 55.803 -0.031 0.000 0.856 801 Q CB 0.334 29.072 28.738 -0.001 0.000 0.902 801 Q HN 0.433 nan 8.270 nan 0.000 0.425 802 D N 1.579 121.999 120.400 0.033 0.000 2.500 802 D HA 0.120 4.764 4.640 0.007 0.000 0.219 802 D C -1.009 175.327 176.300 0.059 0.000 1.137 802 D CA 0.430 54.467 54.000 0.061 0.000 0.946 802 D CB 0.073 40.917 40.800 0.073 0.000 1.022 802 D HN 0.413 nan 8.370 nan 0.000 0.518 803 D N 0.708 121.127 120.400 0.032 0.000 2.730 803 D HA 0.185 4.829 4.640 0.007 0.000 0.225 803 D C 0.810 177.148 176.300 0.062 0.000 1.107 803 D CA 0.787 54.805 54.000 0.029 0.000 0.837 803 D CB -0.073 nan 40.800 nan 0.000 1.171 803 D HN 0.532 nan 8.370 nan 0.000 0.498 804 D N -0.494 119.951 120.400 0.075 0.000 2.527 804 D HA 0.592 5.236 4.640 0.007 0.000 0.224 804 D C 1.505 177.751 176.300 -0.090 0.000 1.217 804 D CA 1.278 55.328 54.000 0.083 0.000 0.819 804 D CB -0.536 nan 40.800 nan 0.000 1.061 804 D HN 1.831 nan 8.370 nan 0.000 0.515 805 S N -0.190 115.434 115.700 -0.126 0.000 2.827 805 S HA -0.113 4.362 4.470 0.007 0.000 0.269 805 S C 0.454 174.802 174.600 -0.421 0.000 1.323 805 S CA 0.942 58.979 58.200 -0.272 0.000 1.176 805 S CB -2.152 nan 63.200 nan 0.000 1.436 805 S HN 0.798 nan 8.310 nan 0.000 0.673 806 H N -1.391 117.748 119.070 0.114 0.000 2.747 806 H HA 0.689 5.249 4.556 0.007 0.000 0.371 806 H C -0.931 174.375 175.328 -0.037 0.000 1.161 806 H CA -0.589 55.472 56.048 0.022 0.000 1.167 806 H CB 0.958 30.623 29.762 -0.162 0.000 1.732 806 H HN 0.373 nan 8.280 nan 0.000 0.544 807 Y N 0.491 120.729 120.300 -0.104 0.000 2.446 807 Y HA 0.348 4.903 4.550 0.007 0.000 0.338 807 Y C -0.652 175.078 175.900 -0.284 0.000 1.055 807 Y CA -0.599 57.486 58.100 -0.024 0.000 1.101 807 Y CB 1.564 40.050 38.460 0.042 0.000 1.221 807 Y HN 0.442 nan 8.280 nan 0.000 0.460 808 Y N 1.890 122.405 120.300 0.359 0.000 2.512 808 Y HA 0.471 5.026 4.550 0.007 0.000 0.348 808 Y C -0.383 175.717 175.900 0.333 0.000 0.990 808 Y CA -1.243 57.021 58.100 0.273 0.000 1.033 808 Y CB 1.302 39.860 38.460 0.164 0.000 1.259 808 Y HN 0.331 nan 8.280 nan 0.000 0.461 809 I N 3.876 124.666 120.570 0.366 0.000 2.588 809 I HA 0.071 4.246 4.170 0.007 0.000 0.283 809 I C -0.027 176.222 176.117 0.218 0.000 1.119 809 I CA 0.278 61.785 61.300 0.344 0.000 1.419 809 I CB 0.233 38.405 38.000 0.286 0.000 1.394 809 I HN 0.519 nan 8.210 nan 0.000 0.562 810 H N 6.532 125.788 119.070 0.310 0.000 2.572 810 H HA 0.615 5.175 4.556 0.007 0.000 0.359 810 H C -0.669 174.749 175.328 0.150 0.000 1.134 810 H CA -0.815 55.334 56.048 0.168 0.000 1.187 810 H CB 1.956 31.742 29.762 0.040 0.000 1.597 810 H HN 0.512 nan 8.280 nan 0.000 0.524 811 R N 0.756 121.348 120.500 0.152 0.000 2.837 811 R HA 0.274 4.618 4.340 0.007 0.000 0.271 811 R C -0.563 175.821 176.300 0.139 0.000 0.993 811 R CA -1.000 55.195 56.100 0.158 0.000 0.931 811 R CB 1.746 32.133 30.300 0.145 0.000 1.206 811 R HN 0.605 nan 8.270 nan 0.000 0.474 812 H N -0.159 119.054 119.070 0.238 0.000 2.703 812 H HA 0.064 4.625 4.556 0.007 0.000 0.377 812 H C 1.220 176.619 175.328 0.119 0.000 1.392 812 H CA 0.867 57.044 56.048 0.216 0.000 1.458 812 H CB 0.648 30.509 29.762 0.164 0.000 1.529 812 H HN 0.818 nan 8.280 nan 0.000 0.619 813 A N 1.140 124.098 122.820 0.229 0.000 1.972 813 A HA -0.228 4.096 4.320 0.007 0.000 0.219 813 A C 1.871 179.525 177.584 0.116 0.000 1.169 813 A CA 1.672 53.786 52.037 0.128 0.000 0.635 813 A CB -0.727 18.332 19.000 0.097 0.000 0.810 813 A HN 0.881 nan 8.150 nan 0.000 0.446 814 N N -0.927 117.854 118.700 0.136 0.000 2.609 814 N HA 0.186 4.930 4.740 0.007 0.000 0.190 814 N C 1.089 176.656 175.510 0.094 0.000 1.157 814 N CA 1.535 54.637 53.050 0.087 0.000 0.918 814 N CB -0.498 38.017 38.487 0.046 0.000 0.978 814 N HN 0.827 nan 8.380 nan 0.000 0.448 815 G N -0.895 107.984 108.800 0.131 0.000 2.217 815 G HA2 -0.308 3.656 3.960 0.007 0.000 0.246 815 G HA3 -0.308 3.656 3.960 0.007 0.000 0.246 815 G C -0.129 174.854 174.900 0.139 0.000 0.990 815 G CA 0.235 45.405 45.100 0.117 0.000 0.627 815 G HN 0.511 nan 8.290 nan 0.000 0.522 816 K N 2.072 122.576 120.400 0.174 0.000 2.202 816 K HA 0.422 4.746 4.320 0.007 0.000 0.264 816 K C -2.185 174.547 176.600 0.219 0.000 1.010 816 K CA -1.344 55.047 56.287 0.174 0.000 0.940 816 K CB 0.935 33.523 32.500 0.147 0.000 0.983 816 K HN 0.140 nan 8.250 nan 0.000 0.475 817 P HA -0.111 nan 4.420 nan 0.000 0.271 817 P C -0.973 176.385 177.300 0.097 0.000 1.216 817 P CA 0.195 63.272 63.100 -0.037 0.000 0.776 817 P CB 0.306 31.618 31.700 -0.647 0.000 0.881 818 Y N 2.699 123.002 120.300 0.004 0.000 2.724 818 Y HA 0.297 4.852 4.550 0.008 0.000 0.354 818 Y C 0.549 176.518 175.900 0.115 0.000 1.270 818 Y CA -0.237 57.820 58.100 -0.071 0.000 1.902 818 Y CB -0.746 37.629 38.460 -0.142 0.000 1.981 818 Y HN 0.392 nan 8.280 nan 0.000 0.428 819 A N 3.022 125.857 122.820 0.025 0.000 2.362 819 A HA 0.757 5.081 4.320 0.007 0.000 0.276 819 A C -0.380 177.200 177.584 -0.007 0.000 1.153 819 A CA 0.243 52.294 52.037 0.024 0.000 0.813 819 A CB -0.049 18.953 19.000 0.003 0.000 1.081 819 A HN 0.749 nan 8.150 nan 0.000 0.507 820 A N 2.585 125.429 122.820 0.039 0.000 2.547 820 A HA 0.708 5.032 4.320 0.007 0.000 0.297 820 A C -0.560 177.028 177.584 0.006 0.000 1.056 820 A CA -0.402 51.657 52.037 0.037 0.000 0.688 820 A CB 0.887 19.953 19.000 0.110 0.000 1.282 820 A HN 1.615 nan 8.150 nan 0.000 0.400 821 I N -0.953 119.596 120.570 -0.035 0.000 2.785 821 I HA 0.838 5.012 4.170 0.007 0.000 0.302 821 I C -0.273 175.795 176.117 -0.083 0.000 1.069 821 I CA -0.786 60.455 61.300 -0.099 0.000 1.045 821 I CB 2.724 40.602 38.000 -0.204 0.000 1.236 821 I HN 0.499 nan 8.210 nan 0.000 0.429 822 S N 2.716 118.367 115.700 -0.081 0.000 2.406 822 S HA 0.439 4.913 4.470 0.007 0.000 0.224 822 S C -2.474 172.071 174.600 -0.091 0.000 1.426 822 S CA -1.289 56.877 58.200 -0.057 0.000 1.179 822 S CB 0.469 63.666 63.200 -0.005 0.000 1.042 822 S HN 0.622 nan 8.310 nan 0.000 0.479 823 P HA 0.156 nan 4.420 nan 0.000 0.244 823 P C -0.538 176.703 177.300 -0.098 0.000 1.723 823 P CA -0.109 62.895 63.100 -0.161 0.000 1.110 823 P CB -0.669 30.869 31.700 -0.270 0.000 1.972 824 N N 0.579 119.244 118.700 -0.058 0.000 2.238 824 N HA 0.163 4.907 4.740 0.007 0.000 0.235 824 N C 1.179 176.679 175.510 -0.016 0.000 1.209 824 N CA -0.304 52.728 53.050 -0.031 0.000 0.879 824 N CB -0.429 38.051 38.487 -0.011 0.000 1.136 824 N HN 0.259 nan 8.380 nan 0.000 0.517 825 G N 1.454 110.240 108.800 -0.023 0.000 2.166 825 G HA2 -0.358 3.606 3.960 0.007 0.000 0.260 825 G HA3 -0.358 3.606 3.960 0.007 0.000 0.260 825 G C 0.341 175.245 174.900 0.006 0.000 0.986 825 G CA 0.703 45.797 45.100 -0.009 0.000 0.683 825 G HN 0.648 nan 8.290 nan 0.000 0.527 826 D N -0.587 119.821 120.400 0.014 0.000 2.339 826 D HA 0.362 5.007 4.640 0.007 0.000 0.217 826 D C 1.861 178.169 176.300 0.013 0.000 1.050 826 D CA 0.632 54.648 54.000 0.027 0.000 0.856 826 D CB -0.589 40.245 40.800 0.058 0.000 0.922 826 D HN 1.507 nan 8.370 nan 0.000 0.518 827 G N 0.426 109.230 108.800 0.006 0.000 2.184 827 G HA2 -0.337 3.627 3.960 0.007 0.000 0.264 827 G HA3 -0.337 3.627 3.960 0.007 0.000 0.264 827 G C 0.108 174.992 174.900 -0.028 0.000 0.975 827 G CA 0.159 45.260 45.100 0.001 0.000 0.642 827 G HN 0.605 nan 8.290 nan 0.000 0.536 828 N N 0.374 119.063 118.700 -0.019 0.000 2.462 828 N HA 0.507 5.251 4.740 0.007 0.000 0.242 828 N C 0.901 176.378 175.510 -0.055 0.000 1.010 828 N CA -0.504 52.533 53.050 -0.021 0.000 0.939 828 N CB -0.003 38.506 38.487 0.036 0.000 1.127 828 N HN 0.364 nan 8.380 nan 0.000 0.509 829 R N 1.700 122.120 120.500 -0.133 0.000 3.322 829 R HA -0.184 4.160 4.340 0.007 0.000 0.253 829 R C -0.546 175.640 176.300 -0.189 0.000 0.987 829 R CA 0.605 56.591 56.100 -0.191 0.000 0.666 829 R CB -1.122 29.121 30.300 -0.095 0.000 1.072 829 R HN 0.647 nan 8.270 nan 0.000 0.447 830 D N -0.751 119.526 120.400 -0.205 0.000 2.305 830 D HA 0.027 4.672 4.640 0.007 0.000 0.206 830 D C 0.532 176.754 176.300 -0.130 0.000 0.974 830 D CA 1.389 55.313 54.000 -0.126 0.000 0.871 830 D CB 0.176 40.968 40.800 -0.013 0.000 0.947 830 D HN 0.548 nan 8.370 nan 0.000 0.516 831 Y N -1.624 118.562 120.300 -0.190 0.000 2.705 831 Y HA 0.555 5.109 4.550 0.007 0.000 0.332 831 Y C -1.177 174.619 175.900 -0.174 0.000 1.221 831 Y CA -1.768 56.197 58.100 -0.225 0.000 1.059 831 Y CB 0.891 39.245 38.460 -0.177 0.000 1.298 831 Y HN -0.241 nan 8.280 nan 0.000 0.459 832 V N -0.309 119.668 119.914 0.106 0.000 2.876 832 V HA 0.771 4.895 4.120 0.007 0.000 0.312 832 V C -1.165 175.030 176.094 0.168 0.000 1.085 832 V CA -0.747 61.543 62.300 -0.016 0.000 0.945 832 V CB 1.577 33.236 31.823 -0.273 0.000 1.017 832 V HN 1.111 nan 8.190 nan 0.000 0.428 833 Q N 2.507 122.424 119.800 0.196 0.000 2.315 833 Q HA 0.514 4.858 4.340 0.007 0.000 0.273 833 Q C -1.908 174.308 176.000 0.360 0.000 1.053 833 Q CA -0.741 55.253 55.803 0.318 0.000 0.817 833 Q CB 2.728 31.656 28.738 0.316 0.000 1.326 833 Q HN 0.879 nan 8.270 nan 0.000 0.423 834 F N 2.917 123.091 119.950 0.375 0.000 2.484 834 F HA 0.209 4.740 4.527 0.007 0.000 0.360 834 F C -0.485 175.564 175.800 0.414 0.000 1.101 834 F CA 0.445 58.678 58.000 0.389 0.000 1.251 834 F CB 0.890 40.174 39.000 0.472 0.000 1.132 834 F HN 0.564 nan 8.300 nan 0.000 0.570 835 Q N 4.654 124.239 119.800 -0.358 0.000 2.310 835 Q HA 0.625 4.969 4.340 0.007 0.000 0.270 835 Q C -1.141 174.430 176.000 -0.715 0.000 1.025 835 Q CA -0.791 54.811 55.803 -0.335 0.000 0.772 835 Q CB 1.744 30.457 28.738 -0.042 0.000 1.253 835 Q HN 0.969 nan 8.270 nan 0.000 0.450 836 G N 1.329 109.833 108.800 -0.494 0.000 2.571 836 G HA2 0.508 4.473 3.960 0.007 0.000 0.304 836 G HA3 0.508 4.473 3.960 0.007 0.000 0.304 836 G C -1.132 173.770 174.900 0.003 0.000 1.314 836 G CA -0.430 44.460 45.100 -0.351 0.000 0.975 836 G HN 0.449 nan 8.290 nan 0.000 0.485 837 T N 1.974 116.509 114.554 -0.030 0.000 2.853 837 T HA 0.361 4.716 4.350 0.007 0.000 0.317 837 T C -0.749 173.978 174.700 0.046 0.000 1.059 837 T CA -0.010 62.168 62.100 0.131 0.000 0.954 837 T CB -0.141 68.853 68.868 0.211 0.000 0.994 837 T HN 0.243 nan 8.240 nan 0.000 0.479 838 F N 2.994 123.059 119.950 0.191 0.000 2.420 838 F HA 0.313 4.843 4.527 0.007 0.000 0.352 838 F C 1.330 177.243 175.800 0.188 0.000 1.108 838 F CA -0.714 57.370 58.000 0.140 0.000 1.162 838 F CB 0.862 39.952 39.000 0.149 0.000 1.118 838 F HN 0.464 nan 8.300 nan 0.000 0.510 839 L N 3.174 124.442 121.223 0.075 0.000 2.270 839 L HA 0.141 4.485 4.340 0.007 0.000 0.210 839 L C 0.612 177.446 176.870 -0.061 0.000 1.104 839 L CA 0.815 55.495 54.840 -0.266 0.000 0.804 839 L CB -0.208 41.500 42.059 -0.586 0.000 0.937 839 L HN 0.497 nan 8.230 nan 0.000 0.450 840 R N -1.026 119.554 120.500 0.134 0.000 2.808 840 R HA 0.328 4.672 4.340 0.007 0.000 0.272 840 R C -0.849 175.584 176.300 0.222 0.000 0.995 840 R CA -1.073 55.114 56.100 0.145 0.000 0.917 840 R CB 0.965 31.290 30.300 0.042 0.000 1.217 840 R HN -0.162 nan 8.270 nan 0.000 0.471 841 N N 0.158 118.955 118.700 0.162 0.000 2.381 841 N HA 0.392 5.137 4.740 0.007 0.000 0.241 841 N C -0.768 174.781 175.510 0.064 0.000 1.279 841 N CA 0.481 53.592 53.050 0.101 0.000 0.896 841 N CB 0.791 39.339 38.487 0.101 0.000 1.118 841 N HN 0.693 nan 8.380 nan 0.000 0.438 842 A N -0.117 122.684 122.820 -0.032 0.000 2.588 842 A HA 0.722 5.046 4.320 0.007 0.000 0.290 842 A C -1.280 176.287 177.584 -0.029 0.000 1.136 842 A CA -0.784 51.252 52.037 -0.000 0.000 0.681 842 A CB 1.348 20.350 19.000 0.003 0.000 1.282 842 A HN 0.695 nan 8.150 nan 0.000 0.421 843 K N 0.038 120.449 120.400 0.018 0.000 2.480 843 K HA 0.623 4.947 4.320 0.007 0.000 0.258 843 K C -0.927 175.681 176.600 0.013 0.000 0.990 843 K CA -0.868 55.423 56.287 0.006 0.000 0.857 843 K CB 1.063 33.574 32.500 0.019 0.000 1.384 843 K HN 0.521 nan 8.250 nan 0.000 0.446 844 N N 0.512 119.211 118.700 -0.002 0.000 2.667 844 N HA -0.201 4.543 4.740 0.007 0.000 0.263 844 N C -0.968 174.539 175.510 -0.004 0.000 1.038 844 N CA 0.578 53.622 53.050 -0.009 0.000 0.749 844 N CB -1.098 37.382 38.487 -0.013 0.000 0.892 844 N HN 0.644 nan 8.380 nan 0.000 0.546 845 L N -0.038 121.175 121.223 -0.016 0.000 2.313 845 L HA 0.605 4.950 4.340 0.007 0.000 0.282 845 L C -0.096 176.752 176.870 -0.038 0.000 1.092 845 L CA -0.282 54.550 54.840 -0.013 0.000 0.831 845 L CB 1.361 43.333 42.059 -0.145 0.000 1.159 845 L HN 0.073 nan 8.230 nan 0.000 0.442 846 V N 5.146 125.031 119.914 -0.049 0.000 3.012 846 V HA 0.912 5.036 4.120 0.007 0.000 0.307 846 V C -0.812 175.199 176.094 -0.139 0.000 1.166 846 V CA 0.043 62.288 62.300 -0.093 0.000 0.974 846 V CB 2.067 33.817 31.823 -0.121 0.000 1.040 846 V HN 1.126 nan 8.190 nan 0.000 0.428 847 A N 4.976 127.700 122.820 -0.161 0.000 2.337 847 A HA 0.963 5.287 4.320 0.007 0.000 0.329 847 A C -0.514 176.910 177.584 -0.268 0.000 1.146 847 A CA -0.355 51.543 52.037 -0.232 0.000 0.800 847 A CB 1.190 20.117 19.000 -0.121 0.000 1.220 847 A HN 1.095 nan 8.150 nan 0.000 0.472 848 E N 0.253 120.304 120.200 -0.248 0.000 2.429 848 E HA 0.688 5.042 4.350 0.007 0.000 0.276 848 E C -1.774 174.765 176.600 -0.102 0.000 0.953 848 E CA -0.927 55.372 56.400 -0.168 0.000 0.787 848 E CB 1.957 31.542 29.700 -0.191 0.000 1.307 848 E HN 0.285 nan 8.360 nan 0.000 0.458 849 V N 2.104 121.994 119.914 -0.041 0.000 2.487 849 V HA 0.357 4.481 4.120 0.007 0.000 0.298 849 V C -0.329 175.752 176.094 -0.022 0.000 1.028 849 V CA -0.727 61.484 62.300 -0.149 0.000 0.860 849 V CB 1.226 32.706 31.823 -0.572 0.000 0.991 849 V HN 0.543 nan 8.190 nan 0.000 0.427 850 L N 3.904 125.137 121.223 0.017 0.000 2.322 850 L HA 0.535 4.880 4.340 0.007 0.000 0.279 850 L C 0.711 177.650 176.870 0.114 0.000 1.036 850 L CA -0.710 54.154 54.840 0.040 0.000 0.807 850 L CB 1.556 43.609 42.059 -0.009 0.000 1.226 850 L HN 0.753 nan 8.230 nan 0.000 0.433 851 D N 0.486 120.939 120.400 0.088 0.000 2.340 851 D HA -0.050 4.594 4.640 0.007 0.000 0.220 851 D C 0.385 176.593 176.300 -0.153 0.000 1.039 851 D CA -0.174 53.818 54.000 -0.013 0.000 0.866 851 D CB 0.049 40.886 40.800 0.061 0.000 0.913 851 D HN 0.557 nan 8.370 nan 0.000 0.523 852 K N -0.597 119.756 120.400 -0.078 0.000 3.209 852 K HA -0.204 4.120 4.320 0.007 0.000 0.289 852 K C 0.073 176.631 176.600 -0.071 0.000 1.191 852 K CA 1.067 57.305 56.287 -0.080 0.000 0.851 852 K CB -1.351 31.082 32.500 -0.111 0.000 1.242 852 K HN 0.392 nan 8.250 nan 0.000 0.480 853 E N -0.819 119.349 120.200 -0.053 0.000 2.641 853 E HA 0.137 4.491 4.350 0.007 0.000 0.224 853 E C 0.933 177.520 176.600 -0.022 0.000 0.951 853 E CA 0.477 56.855 56.400 -0.037 0.000 1.102 853 E CB 1.349 31.030 29.700 -0.033 0.000 1.091 853 E HN 0.466 nan 8.360 nan 0.000 0.507 854 G N 1.931 110.718 108.800 -0.022 0.000 2.168 854 G HA2 -0.158 3.806 3.960 0.007 0.000 0.197 854 G HA3 -0.158 3.806 3.960 0.007 0.000 0.197 854 G C -0.205 174.689 174.900 -0.011 0.000 0.997 854 G CA -0.509 44.580 45.100 -0.019 0.000 0.658 854 G HN 0.117 nan 8.290 nan 0.000 0.513 855 N N -0.185 118.517 118.700 0.002 0.000 2.269 855 N HA 0.548 5.293 4.740 0.007 0.000 0.304 855 N C -0.574 174.951 175.510 0.025 0.000 1.072 855 N CA -0.450 52.609 53.050 0.016 0.000 0.802 855 N CB 2.602 41.111 38.487 0.037 0.000 1.348 855 N HN 0.017 nan 8.380 nan 0.000 0.484 856 V N 1.815 121.737 119.914 0.013 0.000 2.385 856 V HA 0.100 4.224 4.120 0.007 0.000 0.269 856 V C 1.415 177.541 176.094 0.053 0.000 1.043 856 V CA -0.418 61.889 62.300 0.011 0.000 0.906 856 V CB 1.140 32.944 31.823 -0.032 0.000 0.995 856 V HN 0.646 nan 8.190 nan 0.000 0.467 857 V N 1.769 121.746 119.914 0.105 0.000 3.621 857 V HA 0.434 4.558 4.120 0.007 0.000 0.285 857 V C -0.084 176.161 176.094 0.251 0.000 1.346 857 V CA -0.038 62.361 62.300 0.165 0.000 1.104 857 V CB -0.277 31.677 31.823 0.218 0.000 0.913 857 V HN 0.767 nan 8.190 nan 0.000 0.432 858 W N -0.338 120.932 121.300 -0.049 0.000 3.419 858 W HA 0.663 5.326 4.660 0.005 0.000 0.298 858 W C -1.637 174.824 176.519 -0.096 0.000 1.260 858 W CA -0.069 57.248 57.345 -0.046 0.000 1.199 858 W CB 1.473 30.897 29.460 -0.060 0.000 1.349 858 W HN -0.156 nan 8.180 nan 0.000 0.557 859 T N 3.415 117.378 114.554 -0.986 0.000 2.991 859 T HA 0.424 4.778 4.350 0.007 0.000 0.303 859 T C -0.137 173.719 174.700 -1.406 0.000 1.015 859 T CA -0.570 60.945 62.100 -0.974 0.000 1.007 859 T CB 1.382 69.970 68.868 -0.466 0.000 1.034 859 T HN 0.503 nan 8.240 nan 0.000 0.446 860 S N 1.724 116.645 115.700 -1.297 0.000 2.655 860 S HA 0.730 5.204 4.470 0.007 0.000 0.265 860 S C 0.547 174.946 174.600 -0.334 0.000 1.240 860 S CA -0.415 57.322 58.200 -0.771 0.000 0.986 860 S CB 0.277 63.304 63.200 -0.289 0.000 0.985 860 S HN 0.965 nan 8.310 nan 0.000 0.562 861 E N -0.151 119.973 120.200 -0.127 0.000 2.390 861 E HA 0.504 4.858 4.350 0.007 0.000 0.261 861 E C -0.238 176.337 176.600 -0.041 0.000 1.076 861 E CA -0.736 55.627 56.400 -0.062 0.000 0.905 861 E CB 0.217 29.921 29.700 0.008 0.000 0.984 861 E HN 0.716 nan 8.360 nan 0.000 0.427 862 V N 1.852 121.744 119.914 -0.036 0.000 2.546 862 V HA 0.386 4.510 4.120 0.007 0.000 0.284 862 V C 0.510 176.614 176.094 0.016 0.000 1.050 862 V CA -0.491 61.795 62.300 -0.022 0.000 0.981 862 V CB 1.720 33.523 31.823 -0.034 0.000 0.990 862 V HN 0.827 nan 8.190 nan 0.000 0.474 863 T N 4.564 119.134 114.554 0.027 0.000 2.832 863 T HA 0.216 4.570 4.350 0.007 0.000 0.313 863 T C 1.083 175.797 174.700 0.023 0.000 1.035 863 T CA -0.324 61.813 62.100 0.062 0.000 0.950 863 T CB 0.580 69.516 68.868 0.113 0.000 0.984 863 T HN 0.775 nan 8.240 nan 0.000 0.486 864 E N 2.467 122.682 120.200 0.025 0.000 2.077 864 E HA -0.094 4.260 4.350 0.007 0.000 0.193 864 E C 0.437 177.043 176.600 0.010 0.000 0.989 864 E CA 0.940 57.347 56.400 0.012 0.000 0.800 864 E CB 0.255 29.963 29.700 0.014 0.000 0.746 864 E HN 0.624 nan 8.360 nan 0.000 0.452 865 Q N 0.625 120.439 119.800 0.023 0.000 2.330 865 Q HA 0.441 4.785 4.340 0.007 0.000 0.269 865 Q C -1.399 174.612 176.000 0.019 0.000 1.022 865 Q CA -0.463 55.352 55.803 0.020 0.000 0.796 865 Q CB 2.999 31.759 28.738 0.037 0.000 1.271 865 Q HN -0.103 nan 8.270 nan 0.000 0.450 866 V N 2.893 122.781 119.914 -0.043 0.000 2.531 866 V HA 0.446 4.570 4.120 0.007 0.000 0.301 866 V C -0.480 175.580 176.094 -0.057 0.000 1.034 866 V CA -0.778 61.458 62.300 -0.108 0.000 0.865 866 V CB 1.977 33.504 31.823 -0.494 0.000 0.995 866 V HN 0.513 nan 8.190 nan 0.000 0.424 867 V N 5.343 125.280 119.914 0.039 0.000 2.483 867 V HA 0.402 4.526 4.120 0.007 0.000 0.295 867 V C 0.411 176.626 176.094 0.201 0.000 1.035 867 V CA -1.064 61.313 62.300 0.129 0.000 0.896 867 V CB 1.838 33.766 31.823 0.175 0.000 0.986 867 V HN 0.971 nan 8.190 nan 0.000 0.447 868 K N 2.655 123.231 120.400 0.293 0.000 2.469 868 K HA 0.050 4.375 4.320 0.007 0.000 0.274 868 K C -0.346 176.498 176.600 0.406 0.000 0.983 868 K CA 0.039 56.585 56.287 0.430 0.000 0.974 868 K CB 0.280 33.082 32.500 0.502 0.000 0.913 868 K HN 0.586 nan 8.250 nan 0.000 0.493 869 N N 2.303 121.240 118.700 0.394 0.000 3.124 869 N HA 0.037 4.782 4.740 0.007 0.000 0.284 869 N C -0.153 175.257 175.510 -0.167 0.000 1.209 869 N CA -0.452 52.647 53.050 0.081 0.000 1.149 869 N CB -0.211 38.375 38.487 0.164 0.000 1.434 869 N HN 0.584 nan 8.380 nan 0.000 0.529 870 Y N -1.455 118.776 120.300 -0.115 0.000 2.680 870 Y HA 0.166 4.721 4.550 0.007 0.000 0.303 870 Y C 0.497 176.208 175.900 -0.315 0.000 1.166 870 Y CA -0.120 57.769 58.100 -0.351 0.000 1.344 870 Y CB -0.176 38.276 38.460 -0.013 0.000 1.002 870 Y HN 0.191 nan 8.280 nan 0.000 0.537 871 N N 0.075 118.489 118.700 -0.476 0.000 3.308 871 N HA 0.185 4.929 4.740 0.007 0.000 0.276 871 N C -2.181 172.965 175.510 -0.606 0.000 1.533 871 N CA -0.792 52.089 53.050 -0.282 0.000 0.878 871 N CB 1.222 39.611 38.487 -0.163 0.000 1.566 871 N HN 0.086 nan 8.380 nan 0.000 0.546 872 N N 0.932 119.325 118.700 -0.512 0.000 2.725 872 N HA 0.289 5.033 4.740 0.007 0.000 0.248 872 N C -2.319 173.005 175.510 -0.310 0.000 1.402 872 N CA -0.317 52.380 53.050 -0.588 0.000 0.766 872 N CB 0.210 38.216 38.487 -0.801 0.000 1.223 872 N HN 0.494 nan 8.380 nan 0.000 0.515 873 D N 1.348 121.587 120.400 -0.268 0.000 2.927 873 D HA 0.198 4.842 4.640 0.007 0.000 0.219 873 D C 0.778 176.959 176.300 -0.198 0.000 1.248 873 D CA -0.478 53.407 54.000 -0.192 0.000 0.861 873 D CB 1.563 42.285 40.800 -0.130 0.000 1.677 873 D HN 0.185 nan 8.370 nan 0.000 0.511 874 L N 2.030 123.126 121.223 -0.212 0.000 2.265 874 L HA -0.057 4.287 4.340 0.007 0.000 0.215 874 L C 2.200 178.972 176.870 -0.163 0.000 1.117 874 L CA 1.342 56.044 54.840 -0.230 0.000 0.782 874 L CB -0.294 41.548 42.059 -0.363 0.000 0.914 874 L HN 0.472 nan 8.230 nan 0.000 0.441 875 A N -0.911 121.831 122.820 -0.129 0.000 2.167 875 A HA -0.024 4.301 4.320 0.007 0.000 0.214 875 A C 2.085 179.640 177.584 -0.047 0.000 1.151 875 A CA 1.337 53.324 52.037 -0.083 0.000 0.735 875 A CB -0.102 18.859 19.000 -0.065 0.000 0.802 875 A HN 0.516 nan 8.150 nan 0.000 0.467 876 S N -3.347 112.318 115.700 -0.060 0.000 4.098 876 S HA 0.408 4.882 4.470 0.007 0.000 0.193 876 S C 0.398 174.937 174.600 -0.100 0.000 1.049 876 S CA 0.620 58.823 58.200 0.006 0.000 1.034 876 S CB 0.359 63.630 63.200 0.119 0.000 1.380 876 S HN 0.477 nan 8.310 nan 0.000 0.629 877 T N 0.660 115.038 114.554 -0.292 0.000 2.885 877 T HA 0.594 4.949 4.350 0.007 0.000 0.322 877 T C -1.736 172.723 174.700 -0.401 0.000 1.387 877 T CA -0.793 61.078 62.100 -0.382 0.000 1.041 877 T CB 1.136 69.620 68.868 -0.640 0.000 1.287 877 T HN 0.381 nan 8.240 nan 0.000 0.491 878 L N 2.087 123.109 121.223 -0.335 0.000 2.456 878 L HA 0.467 4.811 4.340 0.007 0.000 0.257 878 L C 2.030 178.640 176.870 -0.433 0.000 1.162 878 L CA -0.331 54.298 54.840 -0.350 0.000 0.808 878 L CB 0.600 42.503 42.059 -0.260 0.000 1.136 878 L HN 0.971 nan 8.230 nan 0.000 0.466 879 G N 0.047 108.511 108.800 -0.559 0.000 2.559 879 G HA2 -0.065 3.899 3.960 0.007 0.000 0.216 879 G HA3 -0.065 3.899 3.960 0.007 0.000 0.216 879 G C 0.467 175.260 174.900 -0.178 0.000 1.126 879 G CA 0.789 45.473 45.100 -0.693 0.000 0.778 879 G HN 0.618 nan 8.290 nan 0.000 0.543 880 S N -1.963 113.632 115.700 -0.175 0.000 2.607 880 S HA 0.704 5.178 4.470 0.007 0.000 0.273 880 S C -1.083 173.429 174.600 -0.147 0.000 1.148 880 S CA -0.656 57.492 58.200 -0.087 0.000 0.833 880 S CB 2.317 65.437 63.200 -0.134 0.000 1.130 880 S HN -0.042 nan 8.310 nan 0.000 0.470 881 T N 1.522 115.987 114.554 -0.147 0.000 2.886 881 T HA 0.560 4.914 4.350 0.007 0.000 0.292 881 T C -0.845 173.534 174.700 -0.536 0.000 1.012 881 T CA -0.696 61.176 62.100 -0.381 0.000 0.982 881 T CB 1.268 69.818 68.868 -0.530 0.000 1.018 881 T HN 0.609 nan 8.240 nan 0.000 0.451 882 R N 1.645 121.852 120.500 -0.488 0.000 2.265 882 R HA 0.430 4.774 4.340 0.007 0.000 0.319 882 R C -1.033 175.028 176.300 -0.398 0.000 1.006 882 R CA -0.485 55.433 56.100 -0.303 0.000 0.880 882 R CB 0.750 30.959 30.300 -0.151 0.000 1.077 882 R HN 0.480 nan 8.270 nan 0.000 0.454 883 F N 2.183 122.195 119.950 0.103 0.000 2.303 883 F HA 0.209 4.740 4.527 0.007 0.000 0.368 883 F C 1.333 177.232 175.800 0.165 0.000 1.105 883 F CA -0.500 57.597 58.000 0.162 0.000 1.153 883 F CB 1.064 40.236 39.000 0.287 0.000 1.362 883 F HN 0.534 nan 8.300 nan 0.000 0.511 884 E N 1.899 122.214 120.200 0.191 0.000 2.209 884 E HA -0.210 4.144 4.350 0.007 0.000 0.196 884 E C 1.560 178.273 176.600 0.190 0.000 0.993 884 E CA 1.080 57.561 56.400 0.136 0.000 0.819 884 E CB 0.045 29.773 29.700 0.047 0.000 0.745 884 E HN 0.632 nan 8.360 nan 0.000 0.477 885 K N 0.231 120.774 120.400 0.238 0.000 2.283 885 K HA -0.077 4.247 4.320 0.007 0.000 0.202 885 K C 2.140 178.923 176.600 0.305 0.000 1.048 885 K CA 1.462 57.884 56.287 0.225 0.000 0.948 885 K CB -0.026 32.584 32.500 0.184 0.000 0.742 885 K HN 0.177 nan 8.250 nan 0.000 0.458 886 T N -1.637 113.155 114.554 0.397 0.000 3.129 886 T HA 0.019 4.373 4.350 0.007 0.000 0.251 886 T C 0.712 175.810 174.700 0.663 0.000 1.117 886 T CA -0.348 62.067 62.100 0.524 0.000 1.034 886 T CB -0.035 69.175 68.868 0.570 0.000 0.968 886 T HN 0.035 nan 8.240 nan 0.000 0.526 887 R N 0.732 121.501 120.500 0.449 0.000 2.502 887 R HA 0.133 4.477 4.340 0.007 0.000 0.292 887 R C -1.081 175.426 176.300 0.345 0.000 0.998 887 R CA -0.475 55.804 56.100 0.299 0.000 1.056 887 R CB 0.010 30.303 30.300 -0.011 0.000 0.939 887 R HN 0.513 nan 8.270 nan 0.000 0.411 888 W N 6.488 127.763 121.300 -0.041 0.000 2.417 888 W HA 0.216 4.879 4.660 0.005 0.000 0.315 888 W C -0.493 175.839 176.519 -0.311 0.000 1.045 888 W CA -1.429 55.616 57.345 -0.500 0.000 1.221 888 W CB 1.216 30.317 29.460 -0.598 0.000 1.309 888 W HN 0.705 nan 8.180 nan 0.000 0.453 889 D N 2.724 122.729 120.400 -0.658 0.000 2.358 889 D HA 0.196 4.840 4.640 0.007 0.000 0.224 889 D C 1.549 177.271 176.300 -0.962 0.000 1.123 889 D CA 0.199 53.849 54.000 -0.584 0.000 0.833 889 D CB -0.162 40.465 40.800 -0.290 0.000 0.946 889 D HN 0.762 nan 8.370 nan 0.000 0.505 890 G N 0.110 107.652 108.800 -2.096 0.000 2.148 890 G HA2 -0.320 3.644 3.960 0.007 0.000 0.254 890 G HA3 -0.320 3.644 3.960 0.007 0.000 0.254 890 G C 0.108 174.498 174.900 -0.851 0.000 0.981 890 G CA 0.297 44.232 45.100 -1.941 0.000 0.670 890 G HN 0.488 nan 8.290 nan 0.000 0.528 891 K N 0.695 120.777 120.400 -0.531 0.000 2.156 891 K HA 0.531 4.855 4.320 0.007 0.000 0.250 891 K C 0.127 176.859 176.600 0.219 0.000 0.955 891 K CA -0.421 55.816 56.287 -0.083 0.000 0.855 891 K CB 1.180 33.649 32.500 -0.051 0.000 1.101 891 K HN 0.312 nan 8.250 nan 0.000 0.434 892 D N 0.293 120.835 120.400 0.238 0.000 2.478 892 D HA -0.008 4.636 4.640 0.007 0.000 0.269 892 D C 0.703 177.228 176.300 0.376 0.000 1.232 892 D CA -0.450 53.752 54.000 0.335 0.000 1.059 892 D CB 0.440 41.380 40.800 0.233 0.000 1.104 892 D HN 0.498 nan 8.370 nan 0.000 0.566 893 K N -1.043 119.549 120.400 0.320 0.000 2.360 893 K HA -0.119 4.205 4.320 0.007 0.000 0.201 893 K C 0.032 176.730 176.600 0.162 0.000 1.046 893 K CA 1.059 57.485 56.287 0.232 0.000 0.945 893 K CB -0.194 32.380 32.500 0.124 0.000 0.750 893 K HN 0.246 nan 8.250 nan 0.000 0.464 894 D N 0.469 120.957 120.400 0.145 0.000 2.339 894 D HA 0.066 4.710 4.640 0.007 0.000 0.217 894 D C 0.859 177.220 176.300 0.102 0.000 1.050 894 D CA 0.825 54.888 54.000 0.104 0.000 0.856 894 D CB 0.828 41.678 40.800 0.084 0.000 0.922 894 D HN 0.512 nan 8.370 nan 0.000 0.518 895 G N 1.991 110.870 108.800 0.133 0.000 2.132 895 G HA2 -0.278 3.686 3.960 0.007 0.000 0.234 895 G HA3 -0.278 3.686 3.960 0.007 0.000 0.234 895 G C 0.192 175.134 174.900 0.070 0.000 0.989 895 G CA 0.377 45.541 45.100 0.107 0.000 0.676 895 G HN 0.468 nan 8.290 nan 0.000 0.522 896 K N -0.183 120.262 120.400 0.075 0.000 2.259 896 K HA 0.776 5.100 4.320 0.007 0.000 0.252 896 K C 0.197 176.814 176.600 0.028 0.000 0.936 896 K CA -1.058 55.256 56.287 0.044 0.000 0.810 896 K CB 2.618 35.148 32.500 0.049 0.000 1.143 896 K HN 0.207 nan 8.250 nan 0.000 0.427 897 V N 3.493 123.398 119.914 -0.015 0.000 2.644 897 V HA -0.050 4.074 4.120 0.007 0.000 0.305 897 V C 0.748 176.834 176.094 -0.012 0.000 1.053 897 V CA -0.277 61.987 62.300 -0.061 0.000 1.186 897 V CB 0.071 31.851 31.823 -0.072 0.000 0.895 897 V HN 0.666 nan 8.190 nan 0.000 0.490 898 V N 5.072 124.967 119.914 -0.032 0.000 2.924 898 V HA 0.462 4.586 4.120 0.007 0.000 0.305 898 V C 0.531 176.683 176.094 0.096 0.000 1.073 898 V CA -0.505 61.826 62.300 0.053 0.000 1.098 898 V CB 1.138 32.931 31.823 -0.050 0.000 1.000 898 V HN 0.878 nan 8.190 nan 0.000 0.484 899 V N 1.578 121.608 119.914 0.194 0.000 3.139 899 V HA 0.267 4.391 4.120 0.007 0.000 0.307 899 V C 0.620 176.857 176.094 0.238 0.000 1.095 899 V CA -0.681 61.723 62.300 0.174 0.000 1.160 899 V CB -0.259 31.656 31.823 0.154 0.000 1.003 899 V HN 0.977 nan 8.190 nan 0.000 0.489 900 N N 2.488 121.284 118.700 0.158 0.000 2.357 900 N HA 0.504 5.249 4.740 0.007 0.000 0.257 900 N C 0.279 175.906 175.510 0.196 0.000 1.250 900 N CA 1.299 54.448 53.050 0.165 0.000 0.862 900 N CB 0.792 39.340 38.487 0.101 0.000 1.066 900 N HN 1.378 nan 8.380 nan 0.000 0.468 901 G N 0.008 108.956 108.800 0.246 0.000 2.324 901 G HA2 0.203 4.167 3.960 0.007 0.000 0.293 901 G HA3 0.203 4.167 3.960 0.007 0.000 0.293 901 G C -1.480 173.517 174.900 0.161 0.000 1.297 901 G CA -0.762 44.411 45.100 0.120 0.000 0.853 901 G HN 0.399 nan 8.290 nan 0.000 0.535 902 T N 0.608 115.131 114.554 -0.051 0.000 2.824 902 T HA 0.710 5.064 4.350 0.007 0.000 0.280 902 T C -1.181 173.419 174.700 -0.168 0.000 0.995 902 T CA 0.073 62.188 62.100 0.025 0.000 1.009 902 T CB 1.005 69.856 68.868 -0.028 0.000 0.955 902 T HN 0.388 nan 8.240 nan 0.000 0.452 903 Y N 0.198 120.559 120.300 0.101 0.000 2.633 903 Y HA 0.534 5.087 4.550 0.006 0.000 0.339 903 Y C 0.641 176.587 175.900 0.077 0.000 1.045 903 Y CA -1.202 56.950 58.100 0.087 0.000 1.098 903 Y CB 1.615 40.148 38.460 0.122 0.000 1.296 903 Y HN 0.426 nan 8.280 nan 0.000 0.494 904 T N 1.522 116.193 114.554 0.195 0.000 2.756 904 T HA 0.187 4.541 4.350 0.007 0.000 0.290 904 T C -1.539 173.261 174.700 0.167 0.000 0.985 904 T CA -0.417 61.775 62.100 0.153 0.000 0.955 904 T CB -0.216 68.690 68.868 0.063 0.000 0.930 904 T HN 0.421 nan 8.240 nan 0.000 0.451 905 Y N 4.588 124.961 120.300 0.122 0.000 2.454 905 Y HA 0.472 5.026 4.550 0.007 0.000 0.345 905 Y C 0.325 176.346 175.900 0.203 0.000 0.970 905 Y CA -1.116 57.048 58.100 0.106 0.000 1.204 905 Y CB 0.314 38.888 38.460 0.189 0.000 1.122 905 Y HN 0.504 nan 8.280 nan 0.000 0.514 906 R N 5.274 125.668 120.500 -0.178 0.000 2.393 906 R HA 0.672 5.016 4.340 0.007 0.000 0.310 906 R C -1.925 174.209 176.300 -0.276 0.000 0.968 906 R CA -0.633 55.383 56.100 -0.141 0.000 0.867 906 R CB 1.041 31.261 30.300 -0.134 0.000 1.124 906 R HN 0.544 nan 8.270 nan 0.000 0.450 907 V N 5.624 125.447 119.914 -0.153 0.000 2.357 907 V HA 0.468 4.592 4.120 0.007 0.000 0.284 907 V C 0.046 176.119 176.094 -0.036 0.000 1.018 907 V CA -0.701 61.480 62.300 -0.199 0.000 0.841 907 V CB 1.322 32.885 31.823 -0.435 0.000 0.991 907 V HN 0.778 nan 8.190 nan 0.000 0.437 908 R N 4.080 124.537 120.500 -0.072 0.000 2.589 908 R HA 0.777 5.121 4.340 0.007 0.000 0.293 908 R C -1.499 174.769 176.300 -0.052 0.000 0.963 908 R CA -0.639 55.362 56.100 -0.165 0.000 0.905 908 R CB 2.147 32.351 30.300 -0.161 0.000 1.144 908 R HN 0.812 nan 8.270 nan 0.000 0.459 909 Y N -2.428 117.872 120.300 -0.000 0.000 2.604 909 Y HA 0.442 4.996 4.550 0.007 0.000 0.331 909 Y C -1.165 174.757 175.900 0.037 0.000 1.158 909 Y CA -1.152 56.961 58.100 0.022 0.000 1.056 909 Y CB 1.336 39.869 38.460 0.121 0.000 1.330 909 Y HN 0.304 nan 8.280 nan 0.000 0.457 910 T N 3.395 118.015 114.554 0.109 0.000 2.841 910 T HA 0.547 4.901 4.350 0.007 0.000 0.283 910 T C -2.872 171.893 174.700 0.110 0.000 1.000 910 T CA -1.667 60.467 62.100 0.057 0.000 0.977 910 T CB 1.932 70.807 68.868 0.011 0.000 0.979 910 T HN 0.342 nan 8.240 nan 0.000 0.446 911 P HA 0.203 nan 4.420 nan 0.000 0.271 911 P C 0.744 178.082 177.300 0.063 0.000 1.233 911 P CA -0.490 62.662 63.100 0.087 0.000 0.789 911 P CB 0.486 32.212 31.700 0.044 0.000 0.951 912 I N -1.227 119.383 120.570 0.066 0.000 2.500 912 I HA -0.053 4.121 4.170 0.007 0.000 0.252 912 I C 0.698 176.859 176.117 0.073 0.000 1.142 912 I CA 1.066 62.408 61.300 0.070 0.000 1.451 912 I CB -1.560 36.490 38.000 0.084 0.000 1.093 912 I HN 0.219 nan 8.210 nan 0.000 0.430 913 S N 1.623 117.369 115.700 0.077 0.000 2.561 913 S HA -0.077 4.397 4.470 0.007 0.000 0.294 913 S C 0.788 175.427 174.600 0.066 0.000 1.294 913 S CA 0.022 58.277 58.200 0.092 0.000 1.055 913 S CB 0.231 63.491 63.200 0.101 0.000 0.819 913 S HN 0.386 nan 8.310 nan 0.000 0.503 914 S N 2.084 117.822 115.700 0.064 0.000 2.544 914 S HA 0.361 4.835 4.470 0.007 0.000 0.290 914 S C 1.511 176.131 174.600 0.033 0.000 1.276 914 S CA 0.503 58.729 58.200 0.044 0.000 1.075 914 S CB -0.659 62.562 63.200 0.035 0.000 0.849 914 S HN 1.518 nan 8.310 nan 0.000 0.494 915 G N 3.029 111.843 108.800 0.024 0.000 2.168 915 G HA2 -0.195 3.770 3.960 0.007 0.000 0.263 915 G HA3 -0.195 3.770 3.960 0.007 0.000 0.263 915 G C 0.351 175.258 174.900 0.012 0.000 0.977 915 G CA 0.237 45.346 45.100 0.015 0.000 0.659 915 G HN 1.491 nan 8.290 nan 0.000 0.533 916 A N -0.056 122.773 122.820 0.016 0.000 2.483 916 A HA 0.529 4.853 4.320 0.007 0.000 0.238 916 A C 0.796 178.377 177.584 -0.004 0.000 1.070 916 A CA 0.726 52.767 52.037 0.007 0.000 0.770 916 A CB 0.305 19.311 19.000 0.010 0.000 1.008 916 A HN 0.520 nan 8.150 nan 0.000 0.497 917 K N 1.177 121.569 120.400 -0.013 0.000 2.202 917 K HA 0.191 4.516 4.320 0.007 0.000 0.264 917 K C 0.244 176.818 176.600 -0.042 0.000 1.010 917 K CA -0.302 55.970 56.287 -0.025 0.000 0.940 917 K CB 0.856 33.341 32.500 -0.025 0.000 0.983 917 K HN 0.838 nan 8.250 nan 0.000 0.475 918 E N 1.864 122.030 120.200 -0.057 0.000 2.398 918 E HA -0.061 4.294 4.350 0.007 0.000 0.263 918 E C -0.688 175.825 176.600 -0.146 0.000 1.046 918 E CA 0.192 56.531 56.400 -0.101 0.000 0.908 918 E CB 0.688 30.328 29.700 -0.100 0.000 0.963 918 E HN 0.316 nan 8.360 nan 0.000 0.431 919 Q N 1.274 120.887 119.800 -0.311 0.000 2.359 919 Q HA 0.436 4.780 4.340 0.007 0.000 0.275 919 Q C -1.213 174.385 176.000 -0.670 0.000 1.082 919 Q CA -0.908 54.645 55.803 -0.417 0.000 0.849 919 Q CB 2.044 30.562 28.738 -0.366 0.000 1.377 919 Q HN 0.665 nan 8.270 nan 0.000 0.452 920 H N -2.790 115.979 119.070 -0.501 0.000 3.037 920 H HA 0.670 5.230 4.556 0.008 0.000 0.355 920 H C -1.525 173.737 175.328 -0.110 0.000 1.263 920 H CA -0.816 55.002 56.048 -0.383 0.000 1.129 920 H CB 1.722 31.330 29.762 -0.258 0.000 1.861 920 H HN 0.409 nan 8.280 nan 0.000 0.546 921 T N 2.239 116.830 114.554 0.062 0.000 2.921 921 T HA 0.322 4.676 4.350 0.007 0.000 0.297 921 T C -1.360 173.320 174.700 -0.034 0.000 1.013 921 T CA -0.847 61.236 62.100 -0.029 0.000 0.990 921 T CB 1.264 70.166 68.868 0.056 0.000 1.023 921 T HN 0.596 nan 8.240 nan 0.000 0.447 922 D N 1.615 121.912 120.400 -0.172 0.000 2.252 922 D HA 0.629 5.273 4.640 0.007 0.000 0.245 922 D C -0.945 175.151 176.300 -0.340 0.000 1.009 922 D CA -0.263 53.682 54.000 -0.091 0.000 0.870 922 D CB 1.662 42.477 40.800 0.024 0.000 1.251 922 D HN 0.319 nan 8.370 nan 0.000 0.460 923 F N 0.341 120.419 119.950 0.213 0.000 2.561 923 F HA 0.203 4.734 4.527 0.006 0.000 0.313 923 F C 0.215 176.119 175.800 0.173 0.000 1.126 923 F CA -1.023 57.102 58.000 0.207 0.000 0.918 923 F CB 1.595 40.768 39.000 0.289 0.000 1.199 923 F HN -0.086 nan 8.300 nan 0.000 0.444 924 D N 2.139 122.694 120.400 0.259 0.000 2.351 924 D HA 0.474 5.118 4.640 0.007 0.000 0.251 924 D C -0.726 175.701 176.300 0.211 0.000 1.137 924 D CA 0.311 54.413 54.000 0.170 0.000 0.879 924 D CB 1.645 42.456 40.800 0.019 0.000 1.181 924 D HN 0.156 nan 8.370 nan 0.000 0.448 925 V N 4.149 124.207 119.914 0.239 0.000 2.525 925 V HA 0.351 4.475 4.120 0.007 0.000 0.299 925 V C 0.270 176.522 176.094 0.264 0.000 1.034 925 V CA -0.768 61.673 62.300 0.235 0.000 0.863 925 V CB 1.654 33.667 31.823 0.317 0.000 0.999 925 V HN 0.397 nan 8.190 nan 0.000 0.423 926 I N 4.523 125.177 120.570 0.141 0.000 2.396 926 I HA 0.441 4.615 4.170 0.007 0.000 0.292 926 I C -0.444 175.758 176.117 0.143 0.000 0.999 926 I CA -0.534 60.852 61.300 0.143 0.000 1.310 926 I CB 1.796 39.801 38.000 0.009 0.000 1.404 926 I HN 0.278 nan 8.210 nan 0.000 0.496 927 V N 5.301 125.331 119.914 0.193 0.000 2.448 927 V HA 0.437 4.561 4.120 0.007 0.000 0.295 927 V C -0.644 175.502 176.094 0.088 0.000 1.025 927 V CA -0.411 61.930 62.300 0.068 0.000 0.859 927 V CB 1.787 33.606 31.823 -0.008 0.000 0.988 927 V HN 0.664 nan 8.190 nan 0.000 0.431 928 D N 3.465 123.889 120.400 0.041 0.000 2.764 928 D HA 0.240 4.885 4.640 0.007 0.000 0.227 928 D C -0.238 176.078 176.300 0.026 0.000 1.347 928 D CA -0.311 53.721 54.000 0.053 0.000 0.953 928 D CB 1.782 42.628 40.800 0.076 0.000 1.476 928 D HN 0.556 nan 8.370 nan 0.000 0.585 929 N N 1.508 120.219 118.700 0.018 0.000 2.214 929 N HA 0.070 4.814 4.740 0.007 0.000 0.214 929 N C -0.417 175.103 175.510 0.016 0.000 1.132 929 N CA -0.112 52.942 53.050 0.006 0.000 0.856 929 N CB 0.672 39.153 38.487 -0.009 0.000 1.020 929 N HN 0.223 nan 8.380 nan 0.000 0.509 930 T N 1.004 115.575 114.554 0.027 0.000 2.769 930 T HA 0.050 4.404 4.350 0.007 0.000 0.293 930 T C 0.377 175.090 174.700 0.022 0.000 0.931 930 T CA 0.188 62.303 62.100 0.026 0.000 1.139 930 T CB 0.945 69.832 68.868 0.033 0.000 0.881 930 T HN -0.023 nan 8.240 nan 0.000 0.532 931 T N 6.889 121.451 114.554 0.012 0.000 2.919 931 T HA 0.220 4.575 4.350 0.007 0.000 0.302 931 T C -1.989 172.712 174.700 0.002 0.000 1.031 931 T CA -0.924 61.179 62.100 0.004 0.000 1.127 931 T CB 0.349 69.212 68.868 -0.009 0.000 0.952 931 T HN 0.324 nan 8.240 nan 0.000 0.540 932 P HA 0.191 nan 4.420 nan 0.000 0.271 932 P C -0.313 176.981 177.300 -0.010 0.000 1.218 932 P CA -0.246 62.851 63.100 -0.005 0.000 0.780 932 P CB 0.501 32.189 31.700 -0.020 0.000 0.901 933 E N 1.172 121.374 120.200 0.004 0.000 2.109 933 E HA 0.360 4.714 4.350 0.007 0.000 0.278 933 E C -0.272 176.344 176.600 0.026 0.000 0.954 933 E CA -0.676 55.730 56.400 0.009 0.000 0.779 933 E CB 0.959 30.668 29.700 0.015 0.000 1.093 933 E HN 0.251 nan 8.360 nan 0.000 0.401 934 V N -0.349 119.586 119.914 0.035 0.000 3.158 934 V HA 0.830 4.954 4.120 0.007 0.000 0.311 934 V C -0.078 176.080 176.094 0.105 0.000 1.181 934 V CA -1.175 61.183 62.300 0.096 0.000 1.054 934 V CB 1.416 33.304 31.823 0.107 0.000 1.085 934 V HN 0.657 nan 8.190 nan 0.000 0.446 935 A N 0.878 123.793 122.820 0.159 0.000 2.531 935 A HA 0.469 4.793 4.320 0.007 0.000 0.236 935 A C 1.127 178.735 177.584 0.040 0.000 1.062 935 A CA 0.632 52.709 52.037 0.067 0.000 0.760 935 A CB -0.060 18.944 19.000 0.007 0.000 0.995 935 A HN 1.834 nan 8.150 nan 0.000 0.501 936 T N -1.406 113.143 114.554 -0.010 0.000 3.054 936 T HA 0.400 4.754 4.350 0.007 0.000 0.255 936 T C 0.470 175.113 174.700 -0.094 0.000 1.035 936 T CA 0.483 62.561 62.100 -0.038 0.000 0.941 936 T CB -0.539 68.305 68.868 -0.040 0.000 1.026 936 T HN 1.501 nan 8.240 nan 0.000 0.533 937 S N -0.140 115.494 115.700 -0.109 0.000 2.625 937 S HA 0.890 5.364 4.470 0.007 0.000 0.271 937 S C -1.313 173.229 174.600 -0.097 0.000 1.161 937 S CA -0.473 57.610 58.200 -0.194 0.000 0.820 937 S CB 1.716 64.686 63.200 -0.384 0.000 1.137 937 S HN 1.041 nan 8.310 nan 0.000 0.470 938 A N 0.632 123.434 122.820 -0.030 0.000 2.586 938 A HA 0.907 5.231 4.320 0.007 0.000 0.290 938 A C -0.454 177.252 177.584 0.204 0.000 1.086 938 A CA -0.306 51.765 52.037 0.056 0.000 0.665 938 A CB 0.957 19.939 19.000 -0.029 0.000 1.279 938 A HN 1.954 nan 8.150 nan 0.000 0.423 939 T N -1.867 112.775 114.554 0.147 0.000 2.907 939 T HA 0.756 5.111 4.350 0.007 0.000 0.292 939 T C -1.021 173.782 174.700 0.172 0.000 1.043 939 T CA -0.477 61.706 62.100 0.138 0.000 1.003 939 T CB 1.489 70.387 68.868 0.050 0.000 1.084 939 T HN 1.364 nan 8.240 nan 0.000 0.483 940 F N 1.432 121.371 119.950 -0.018 0.000 2.507 940 F HA 0.668 5.199 4.527 0.007 0.000 0.325 940 F C -0.152 175.627 175.800 -0.035 0.000 1.116 940 F CA -0.863 57.117 58.000 -0.034 0.000 0.930 940 F CB 2.283 41.260 39.000 -0.038 0.000 1.146 940 F HN 0.718 nan 8.300 nan 0.000 0.447 941 S N 3.596 118.874 115.700 -0.704 0.000 2.423 941 S HA 0.219 4.693 4.470 0.007 0.000 0.317 941 S C 1.131 175.221 174.600 -0.850 0.000 1.065 941 S CA 0.104 57.970 58.200 -0.558 0.000 1.111 941 S CB 0.426 63.414 63.200 -0.354 0.000 0.968 941 S HN 0.909 nan 8.310 nan 0.000 0.474 942 T N 2.469 116.726 114.554 -0.496 0.000 2.746 942 T HA -0.092 4.262 4.350 0.007 0.000 0.267 942 T C 1.891 176.459 174.700 -0.220 0.000 1.039 942 T CA 1.697 63.620 62.100 -0.296 0.000 1.142 942 T CB -1.107 67.731 68.868 -0.050 0.000 0.866 942 T HN 0.738 nan 8.240 nan 0.000 0.444 943 E N 3.019 123.107 120.200 -0.186 0.000 2.035 943 E HA -0.245 4.110 4.350 0.007 0.000 0.204 943 E C 1.714 178.235 176.600 -0.131 0.000 1.025 943 E CA 1.921 58.245 56.400 -0.127 0.000 0.835 943 E CB -1.360 28.274 29.700 -0.110 0.000 0.764 943 E HN 1.005 nan 8.360 nan 0.000 0.457 944 D N -1.734 118.561 120.400 -0.176 0.000 2.363 944 D HA 0.135 4.779 4.640 0.007 0.000 0.214 944 D C 0.284 176.475 176.300 -0.181 0.000 1.093 944 D CA 0.079 53.993 54.000 -0.144 0.000 0.837 944 D CB 0.015 40.743 40.800 -0.120 0.000 0.948 944 D HN 0.432 nan 8.370 nan 0.000 0.507 945 R N 0.098 120.400 120.500 -0.331 0.000 3.416 945 R HA -0.184 4.160 4.340 0.007 0.000 0.263 945 R C -0.571 175.571 176.300 -0.263 0.000 1.053 945 R CA 0.467 56.329 56.100 -0.397 0.000 0.705 945 R CB -1.683 28.639 30.300 0.037 0.000 1.124 945 R HN 0.335 nan 8.270 nan 0.000 0.444 946 R N 0.767 121.032 120.500 -0.391 0.000 2.346 946 R HA 0.326 4.670 4.340 0.007 0.000 0.311 946 R C -0.270 176.000 176.300 -0.051 0.000 0.983 946 R CA -0.974 55.047 56.100 -0.132 0.000 0.880 946 R CB 1.213 31.443 30.300 -0.116 0.000 1.100 946 R HN -0.019 nan 8.270 nan 0.000 0.453 947 L N 2.887 124.214 121.223 0.173 0.000 2.264 947 L HA 0.288 4.632 4.340 0.007 0.000 0.289 947 L C -0.201 176.739 176.870 0.117 0.000 1.044 947 L CA 0.120 55.099 54.840 0.232 0.000 0.807 947 L CB 1.584 43.755 42.059 0.186 0.000 1.192 947 L HN 0.681 nan 8.230 nan 0.000 0.425 948 T N 3.806 118.401 114.554 0.069 0.000 2.779 948 T HA 0.594 4.948 4.350 0.007 0.000 0.280 948 T C -0.038 174.669 174.700 0.012 0.000 0.987 948 T CA -0.756 61.362 62.100 0.030 0.000 0.966 948 T CB 0.641 69.513 68.868 0.007 0.000 0.933 948 T HN 0.501 nan 8.240 nan 0.000 0.442 949 L N 3.079 124.291 121.223 -0.017 0.000 2.418 949 L HA 0.531 4.875 4.340 0.007 0.000 0.265 949 L C 1.889 178.748 176.870 -0.017 0.000 1.143 949 L CA -0.951 53.850 54.840 -0.065 0.000 0.809 949 L CB 0.555 42.536 42.059 -0.130 0.000 1.124 949 L HN 0.915 nan 8.230 nan 0.000 0.456 950 A N 1.493 124.304 122.820 -0.014 0.000 2.015 950 A HA 0.016 4.340 4.320 0.007 0.000 0.219 950 A C 0.908 178.500 177.584 0.012 0.000 1.163 950 A CA 1.345 53.388 52.037 0.010 0.000 0.646 950 A CB -0.235 18.768 19.000 0.005 0.000 0.806 950 A HN 0.788 nan 8.150 nan 0.000 0.448 951 S N -2.062 113.646 115.700 0.015 0.000 2.615 951 S HA 0.582 5.056 4.470 0.007 0.000 0.269 951 S C -1.066 173.565 174.600 0.052 0.000 1.161 951 S CA -1.069 57.148 58.200 0.029 0.000 0.817 951 S CB 1.195 64.412 63.200 0.029 0.000 1.131 951 S HN 0.236 nan 8.310 nan 0.000 0.467 952 K N 1.117 121.550 120.400 0.055 0.000 2.098 952 K HA 0.564 4.889 4.320 0.007 0.000 0.261 952 K C -2.572 174.081 176.600 0.088 0.000 0.987 952 K CA -2.126 54.208 56.287 0.078 0.000 0.916 952 K CB 0.485 33.016 32.500 0.052 0.000 1.039 952 K HN 0.473 nan 8.250 nan 0.000 0.455 953 P HA 0.099 nan 4.420 nan 0.000 0.275 953 P C -1.288 176.041 177.300 0.049 0.000 1.228 953 P CA -0.183 62.966 63.100 0.082 0.000 0.786 953 P CB 0.618 32.366 31.700 0.080 0.000 0.927 954 K N 1.220 121.641 120.400 0.036 0.000 2.450 954 K HA 0.485 4.809 4.320 0.007 0.000 0.257 954 K C -0.150 176.464 176.600 0.023 0.000 0.953 954 K CA -0.508 55.796 56.287 0.027 0.000 0.844 954 K CB 1.652 34.167 32.500 0.025 0.000 1.103 954 K HN 0.491 nan 8.250 nan 0.000 0.429 955 T N -1.923 112.645 114.554 0.023 0.000 2.893 955 T HA 0.204 4.558 4.350 0.007 0.000 0.291 955 T C 0.877 175.596 174.700 0.031 0.000 1.028 955 T CA -0.770 61.346 62.100 0.026 0.000 0.995 955 T CB 1.890 70.773 68.868 0.025 0.000 1.051 955 T HN 0.284 nan 8.240 nan 0.000 0.470 956 S N 0.830 116.553 115.700 0.039 0.000 2.335 956 S HA -0.008 4.466 4.470 0.007 0.000 0.217 956 S C 0.871 175.507 174.600 0.060 0.000 1.032 956 S CA 0.824 59.053 58.200 0.048 0.000 0.985 956 S CB -0.350 62.882 63.200 0.052 0.000 0.896 956 S HN 0.722 nan 8.310 nan 0.000 0.445 957 Q N 1.532 121.374 119.800 0.069 0.000 2.312 957 Q HA 0.426 4.770 4.340 0.007 0.000 0.236 957 Q C -2.460 173.561 176.000 0.034 0.000 0.965 957 Q CA -2.301 53.554 55.803 0.087 0.000 0.894 957 Q CB 0.131 28.943 28.738 0.123 0.000 1.225 957 Q HN 0.268 nan 8.270 nan 0.000 0.478 958 P HA -0.027 nan 4.420 nan 0.000 0.267 958 P C -0.081 177.181 177.300 -0.064 0.000 1.201 958 P CA -0.063 62.993 63.100 -0.073 0.000 0.775 958 P CB 0.445 32.034 31.700 -0.185 0.000 0.854 959 I N 2.570 123.113 120.570 -0.044 0.000 2.752 959 I HA -0.136 4.038 4.170 0.007 0.000 0.287 959 I C 1.244 177.357 176.117 -0.007 0.000 1.188 959 I CA 0.661 61.955 61.300 -0.010 0.000 1.427 959 I CB -0.156 37.840 38.000 -0.006 0.000 1.365 959 I HN 0.524 nan 8.210 nan 0.000 0.585 960 Y N 8.169 128.395 120.300 -0.123 0.000 2.333 960 Y HA 0.298 4.853 4.550 0.007 0.000 0.287 960 Y C 0.486 176.328 175.900 -0.097 0.000 1.149 960 Y CA 0.485 58.492 58.100 -0.155 0.000 1.193 960 Y CB 0.446 38.873 38.460 -0.055 0.000 1.175 960 Y HN 0.480 nan 8.280 nan 0.000 0.518 961 R N 1.089 121.490 120.500 -0.165 0.000 2.651 961 R HA 0.343 4.687 4.340 0.007 0.000 0.278 961 R C -1.411 174.811 176.300 -0.129 0.000 1.010 961 R CA -0.668 55.287 56.100 -0.242 0.000 0.896 961 R CB 2.282 32.269 30.300 -0.522 0.000 1.211 961 R HN 0.287 nan 8.270 nan 0.000 0.456 962 E N 3.415 123.599 120.200 -0.026 0.000 2.279 962 E HA 0.488 4.842 4.350 0.007 0.000 0.252 962 E C -0.966 175.772 176.600 0.230 0.000 0.894 962 E CA -0.905 55.531 56.400 0.060 0.000 0.785 962 E CB 1.921 31.711 29.700 0.150 0.000 1.237 962 E HN 0.421 nan 8.360 nan 0.000 0.418 963 R N 2.133 122.715 120.500 0.137 0.000 2.817 963 R HA 0.571 4.915 4.340 0.007 0.000 0.268 963 R C -0.722 175.569 176.300 -0.015 0.000 1.027 963 R CA -1.062 55.179 56.100 0.234 0.000 0.928 963 R CB 1.630 32.066 30.300 0.228 0.000 1.228 963 R HN 0.463 nan 8.270 nan 0.000 0.469 964 I N 1.552 122.093 120.570 -0.048 0.000 2.389 964 I HA 0.413 4.587 4.170 0.007 0.000 0.288 964 I C -0.148 176.043 176.117 0.123 0.000 0.999 964 I CA -0.499 60.717 61.300 -0.139 0.000 1.129 964 I CB 1.441 39.238 38.000 -0.339 0.000 1.288 964 I HN 0.725 nan 8.210 nan 0.000 0.444 965 A N 7.423 130.251 122.820 0.014 0.000 2.295 965 A HA 0.794 5.118 4.320 0.007 0.000 0.318 965 A C -1.210 176.430 177.584 0.095 0.000 1.134 965 A CA -0.334 51.589 52.037 -0.191 0.000 0.827 965 A CB 0.907 19.724 19.000 -0.305 0.000 1.136 965 A HN 0.640 nan 8.150 nan 0.000 0.493 966 Y N -1.287 118.968 120.300 -0.076 0.000 2.406 966 Y HA 0.712 5.266 4.550 0.007 0.000 0.340 966 Y C -0.438 175.419 175.900 -0.071 0.000 0.975 966 Y CA -0.913 57.108 58.100 -0.133 0.000 1.056 966 Y CB 1.294 39.624 38.460 -0.217 0.000 1.210 966 Y HN 0.373 nan 8.280 nan 0.000 0.448 967 T N 4.832 119.397 114.554 0.019 0.000 2.770 967 T HA 0.493 4.848 4.350 0.007 0.000 0.283 967 T C -1.224 173.484 174.700 0.014 0.000 0.988 967 T CA -0.658 61.400 62.100 -0.069 0.000 0.957 967 T CB 0.124 68.942 68.868 -0.083 0.000 0.930 967 T HN 0.684 nan 8.240 nan 0.000 0.443 968 Y N 0.766 121.040 120.300 -0.042 0.000 2.576 968 Y HA 0.789 5.343 4.550 0.007 0.000 0.346 968 Y C -0.523 175.356 175.900 -0.034 0.000 1.018 968 Y CA -1.953 56.129 58.100 -0.029 0.000 1.050 968 Y CB 1.039 39.510 38.460 0.018 0.000 1.280 968 Y HN 0.219 nan 8.280 nan 0.000 0.474 969 M N 2.911 122.556 119.600 0.076 0.000 2.185 969 M HA 0.177 4.661 4.480 0.007 0.000 0.357 969 M C -1.006 175.346 176.300 0.087 0.000 1.260 969 M CA 0.211 55.513 55.300 0.002 0.000 1.124 969 M CB 0.500 33.110 32.600 0.017 0.000 1.600 969 M HN 0.813 nan 8.290 nan 0.000 0.467 970 D N 4.117 124.510 120.400 -0.011 0.000 2.378 970 D HA 0.224 4.868 4.640 0.007 0.000 0.265 970 D C -0.617 175.685 176.300 0.003 0.000 1.229 970 D CA 0.147 54.179 54.000 0.052 0.000 0.914 970 D CB 0.422 41.252 40.800 0.049 0.000 1.140 970 D HN 0.752 nan 8.370 nan 0.000 0.516 971 E N 1.808 122.016 120.200 0.013 0.000 2.372 971 E HA -0.267 4.087 4.350 0.007 0.000 0.254 971 E C 0.450 177.038 176.600 -0.021 0.000 1.102 971 E CA 0.665 57.063 56.400 -0.003 0.000 0.740 971 E CB -2.011 27.687 29.700 -0.004 0.000 1.292 971 E HN 0.731 nan 8.360 nan 0.000 0.394 972 D N -1.410 118.977 120.400 -0.022 0.000 2.946 972 D HA -0.214 4.430 4.640 0.007 0.000 0.202 972 D C 0.088 176.352 176.300 -0.059 0.000 1.068 972 D CA 1.349 55.328 54.000 -0.035 0.000 1.011 972 D CB -1.059 nan 40.800 nan 0.000 1.105 972 D HN 0.253 nan 8.370 nan 0.000 0.425 973 L N -0.012 121.165 121.223 -0.077 0.000 2.265 973 L HA 0.583 4.927 4.340 0.007 0.000 0.289 973 L C -2.603 174.167 176.870 -0.167 0.000 1.033 973 L CA -1.667 53.106 54.840 -0.112 0.000 0.814 973 L CB 1.221 43.215 42.059 -0.109 0.000 1.203 973 L HN -0.080 nan 8.230 nan 0.000 0.423 974 P HA 0.108 nan 4.420 nan 0.000 0.264 974 P C -0.982 176.137 177.300 -0.302 0.000 1.236 974 P CA 0.352 63.323 63.100 -0.215 0.000 0.811 974 P CB 0.339 31.934 31.700 -0.175 0.000 0.840 975 T N 3.093 117.362 114.554 -0.475 0.000 2.795 975 T HA 0.418 4.772 4.350 0.007 0.000 0.282 975 T C 0.149 174.489 174.700 -0.600 0.000 0.980 975 T CA -0.291 61.464 62.100 -0.574 0.000 1.012 975 T CB 0.646 69.051 68.868 -0.773 0.000 0.936 975 T HN 0.110 nan 8.240 nan 0.000 0.457 976 T N 4.117 118.437 114.554 -0.391 0.000 2.797 976 T HA 0.506 4.860 4.350 0.007 0.000 0.279 976 T C -0.210 174.261 174.700 -0.381 0.000 0.991 976 T CA -0.787 61.086 62.100 -0.379 0.000 0.979 976 T CB 1.482 70.162 68.868 -0.314 0.000 0.943 976 T HN 0.553 nan 8.240 nan 0.000 0.444 977 E N 1.044 120.847 120.200 -0.661 0.000 2.393 977 E HA 0.601 4.955 4.350 0.007 0.000 0.265 977 E C -1.413 174.668 176.600 -0.865 0.000 0.941 977 E CA -0.885 55.167 56.400 -0.580 0.000 0.801 977 E CB 1.983 31.377 29.700 -0.511 0.000 1.313 977 E HN 0.508 nan 8.360 nan 0.000 0.435 978 Y N -0.295 119.913 120.300 -0.152 0.000 2.605 978 Y HA 0.548 5.102 4.550 0.007 0.000 0.343 978 Y C -0.365 175.680 175.900 0.241 0.000 1.036 978 Y CA -0.841 57.294 58.100 0.059 0.000 1.065 978 Y CB 1.453 39.954 38.460 0.067 0.000 1.288 978 Y HN 0.264 nan 8.280 nan 0.000 0.481 979 I N 1.113 121.963 120.570 0.466 0.000 2.465 979 I HA 0.398 4.572 4.170 0.007 0.000 0.291 979 I C -0.605 175.800 176.117 0.480 0.000 1.014 979 I CA -0.560 61.005 61.300 0.443 0.000 1.093 979 I CB 1.950 40.223 38.000 0.455 0.000 1.267 979 I HN 0.472 nan 8.210 nan 0.000 0.431 980 S N 6.663 122.572 115.700 0.348 0.000 2.616 980 S HA 0.466 4.940 4.470 0.007 0.000 0.277 980 S C -2.281 172.378 174.600 0.097 0.000 1.234 980 S CA -1.044 57.319 58.200 0.270 0.000 1.028 980 S CB 1.041 64.320 63.200 0.131 0.000 0.988 980 S HN 0.435 nan 8.310 nan 0.000 0.522 981 P HA 0.122 nan 4.420 nan 0.000 0.272 981 P C -0.764 176.312 177.300 -0.373 0.000 1.230 981 P CA -0.353 62.241 63.100 -0.843 0.000 0.788 981 P CB 0.396 31.549 31.700 -0.912 0.000 0.949 982 N N 0.462 118.943 118.700 -0.364 0.000 2.408 982 N HA 0.029 4.773 4.740 0.007 0.000 0.260 982 N C 1.254 176.665 175.510 -0.165 0.000 1.242 982 N CA -0.593 52.347 53.050 -0.185 0.000 0.959 982 N CB 0.425 38.826 38.487 -0.144 0.000 1.201 982 N HN 0.390 nan 8.380 nan 0.000 0.511 983 E N 0.580 120.718 120.200 -0.104 0.000 2.338 983 E HA -0.148 4.206 4.350 0.007 0.000 0.197 983 E C 0.369 176.920 176.600 -0.081 0.000 1.007 983 E CA 0.863 57.214 56.400 -0.082 0.000 0.849 983 E CB -0.276 29.390 29.700 -0.055 0.000 0.774 983 E HN 0.615 nan 8.360 nan 0.000 0.506 984 D N -0.919 119.428 120.400 -0.089 0.000 2.328 984 D HA 0.082 4.726 4.640 0.007 0.000 0.221 984 D C 1.317 177.565 176.300 -0.088 0.000 1.072 984 D CA 0.577 54.532 54.000 -0.074 0.000 0.850 984 D CB 0.162 40.924 40.800 -0.063 0.000 0.922 984 D HN 0.136 nan 8.370 nan 0.000 0.516 985 G N 0.176 108.896 108.800 -0.133 0.000 2.241 985 G HA2 -0.301 3.664 3.960 0.007 0.000 0.244 985 G HA3 -0.301 3.664 3.960 0.007 0.000 0.244 985 G C 0.636 175.412 174.900 -0.207 0.000 0.998 985 G CA 0.567 45.577 45.100 -0.151 0.000 0.621 985 G HN 0.794 nan 8.290 nan 0.000 0.519 986 T N -1.242 113.208 114.554 -0.173 0.000 2.754 986 T HA 0.664 5.018 4.350 0.007 0.000 0.286 986 T C -0.094 174.458 174.700 -0.247 0.000 0.997 986 T CA -0.253 61.782 62.100 -0.109 0.000 0.982 986 T CB 1.495 70.333 68.868 -0.051 0.000 1.027 986 T HN 0.417 nan 8.240 nan 0.000 0.529 987 F N -0.316 119.619 119.950 -0.024 0.000 2.520 987 F HA 0.452 4.983 4.527 0.007 0.000 0.322 987 F C 0.550 176.341 175.800 -0.014 0.000 1.103 987 F CA -0.837 57.158 58.000 -0.008 0.000 0.926 987 F CB 2.426 41.419 39.000 -0.013 0.000 1.154 987 F HN 0.557 nan 8.300 nan 0.000 0.453 988 T N 5.019 119.669 114.554 0.160 0.000 2.733 988 T HA 0.492 4.846 4.350 0.007 0.000 0.294 988 T C -0.196 174.543 174.700 0.066 0.000 0.956 988 T CA -0.484 61.666 62.100 0.084 0.000 0.987 988 T CB 0.187 69.080 68.868 0.042 0.000 0.920 988 T HN 0.270 nan 8.240 nan 0.000 0.470 989 L N 6.797 128.027 121.223 0.011 0.000 2.276 989 L HA 0.417 4.761 4.340 0.007 0.000 0.286 989 L C -1.765 175.073 176.870 -0.053 0.000 1.061 989 L CA -2.225 52.505 54.840 -0.183 0.000 0.807 989 L CB 0.803 42.501 42.059 -0.602 0.000 1.177 989 L HN 0.335 nan 8.230 nan 0.000 0.429 990 P HA 0.104 nan 4.420 nan 0.000 0.274 990 P C -0.315 177.003 177.300 0.031 0.000 1.237 990 P CA -0.289 62.793 63.100 -0.030 0.000 0.793 990 P CB 1.289 32.904 31.700 -0.142 0.000 0.977 991 E N -0.245 119.960 120.200 0.010 0.000 2.400 991 E HA 0.005 4.359 4.350 0.007 0.000 0.195 991 E C 0.355 176.942 176.600 -0.022 0.000 1.012 991 E CA 0.411 56.828 56.400 0.028 0.000 0.875 991 E CB 0.434 30.149 29.700 0.026 0.000 0.859 991 E HN 0.621 nan 8.360 nan 0.000 0.498 992 E N -0.561 119.592 120.200 -0.078 0.000 2.430 992 E HA 0.700 5.055 4.350 0.007 0.000 0.279 992 E C -1.431 175.045 176.600 -0.207 0.000 1.003 992 E CA -1.176 55.150 56.400 -0.123 0.000 0.801 992 E CB 1.552 31.203 29.700 -0.081 0.000 1.313 992 E HN -0.025 nan 8.360 nan 0.000 0.459 993 A N 0.846 123.493 122.820 -0.288 0.000 2.374 993 A HA 0.503 4.828 4.320 0.007 0.000 0.317 993 A C -0.912 176.462 177.584 -0.351 0.000 1.094 993 A CA -0.680 51.095 52.037 -0.437 0.000 0.765 993 A CB 1.562 19.945 19.000 -1.028 0.000 1.268 993 A HN 0.670 nan 8.150 nan 0.000 0.438 994 E N 1.188 121.252 120.200 -0.226 0.000 2.227 994 E HA 0.440 4.794 4.350 0.007 0.000 0.282 994 E C 0.300 176.874 176.600 -0.044 0.000 1.015 994 E CA -0.322 56.020 56.400 -0.097 0.000 0.823 994 E CB 0.787 30.473 29.700 -0.022 0.000 1.081 994 E HN 0.761 nan 8.360 nan 0.000 0.396 995 T N 1.627 116.192 114.554 0.018 0.000 2.847 995 T HA 0.138 4.492 4.350 0.007 0.000 0.279 995 T C 1.520 176.275 174.700 0.093 0.000 0.984 995 T CA -0.831 61.340 62.100 0.119 0.000 0.988 995 T CB 0.868 69.801 68.868 0.108 0.000 1.040 995 T HN 0.432 nan 8.240 nan 0.000 0.528 996 M N 0.790 120.449 119.600 0.100 0.000 2.086 996 M HA -0.021 4.463 4.480 0.007 0.000 0.261 996 M C 2.914 179.242 176.300 0.047 0.000 1.067 996 M CA 2.364 57.704 55.300 0.067 0.000 1.116 996 M CB -2.091 30.541 32.600 0.054 0.000 1.348 996 M HN 1.012 nan 8.290 nan 0.000 0.407 997 E N -0.081 120.145 120.200 0.042 0.000 2.455 997 E HA 0.127 4.481 4.350 0.007 0.000 0.202 997 E C 1.647 178.263 176.600 0.027 0.000 1.045 997 E CA 1.421 57.839 56.400 0.030 0.000 0.872 997 E CB -1.242 nan 29.700 nan 0.000 0.792 997 E HN 0.775 nan 8.360 nan 0.000 0.542 998 G N -2.068 106.751 108.800 0.031 0.000 2.175 998 G HA2 -0.038 3.926 3.960 0.007 0.000 0.244 998 G HA3 -0.038 3.926 3.960 0.007 0.000 0.244 998 G C 0.875 175.785 174.900 0.017 0.000 0.982 998 G CA 0.427 45.541 45.100 0.024 0.000 0.641 998 G HN 1.399 nan 8.290 nan 0.000 0.527 999 G N -1.138 107.673 108.800 0.018 0.000 2.543 999 G HA2 0.656 4.620 3.960 0.007 0.000 0.290 999 G HA3 0.656 4.620 3.960 0.007 0.000 0.290 999 G C -0.026 174.872 174.900 -0.004 0.000 1.310 999 G CA 0.658 45.764 45.100 0.009 0.000 1.025 999 G HN 0.974 nan 8.290 nan 0.000 0.502 1000 T N -1.848 112.698 114.554 -0.014 0.000 2.887 1000 T HA 0.556 4.910 4.350 0.007 0.000 0.288 1000 T C -1.151 173.526 174.700 -0.039 0.000 1.021 1000 T CA -0.486 61.590 62.100 -0.040 0.000 1.000 1000 T CB 1.542 70.389 68.868 -0.035 0.000 1.034 1000 T HN 0.412 nan 8.240 nan 0.000 0.467 1001 V N 7.034 126.901 119.914 -0.078 0.000 2.525 1001 V HA 0.497 4.621 4.120 0.007 0.000 0.299 1001 V C -2.237 173.811 176.094 -0.076 0.000 1.034 1001 V CA -1.837 60.431 62.300 -0.052 0.000 0.863 1001 V CB 2.012 33.828 31.823 -0.012 0.000 0.999 1001 V HN 0.807 nan 8.190 nan 0.000 0.423 1002 P HA 0.217 nan 4.420 nan 0.000 0.268 1002 P C -0.941 176.329 177.300 -0.050 0.000 1.205 1002 P CA -0.016 63.060 63.100 -0.040 0.000 0.771 1002 P CB 1.158 32.848 31.700 -0.017 0.000 0.858 1003 L N 2.185 123.371 121.223 -0.062 0.000 2.309 1003 L HA 0.354 4.699 4.340 0.007 0.000 0.282 1003 L C 0.833 177.675 176.870 -0.047 0.000 1.036 1003 L CA -0.795 53.980 54.840 -0.108 0.000 0.806 1003 L CB 1.569 43.518 42.059 -0.184 0.000 1.220 1003 L HN 0.205 nan 8.230 nan 0.000 0.429 1004 K N 1.444 121.789 120.400 -0.092 0.000 2.118 1004 K HA 0.267 4.591 4.320 0.007 0.000 0.254 1004 K C 0.588 177.196 176.600 0.013 0.000 0.961 1004 K CA -0.776 55.497 56.287 -0.022 0.000 0.876 1004 K CB 1.916 34.398 32.500 -0.029 0.000 1.077 1004 K HN 0.616 nan 8.250 nan 0.000 0.440 1005 M N 2.017 121.669 119.600 0.087 0.000 2.202 1005 M HA -0.153 4.331 4.480 0.007 0.000 0.262 1005 M C 1.841 178.222 176.300 0.135 0.000 1.063 1005 M CA 2.162 57.557 55.300 0.158 0.000 1.097 1005 M CB -0.794 31.787 32.600 -0.032 0.000 1.382 1005 M HN 0.761 nan 8.290 nan 0.000 0.413 1006 S N -1.450 114.267 115.700 0.029 0.000 2.555 1006 S HA -0.063 4.411 4.470 0.007 0.000 0.230 1006 S C 1.261 175.843 174.600 -0.030 0.000 0.978 1006 S CA 0.965 59.172 58.200 0.011 0.000 0.934 1006 S CB -0.583 62.618 63.200 0.003 0.000 0.766 1006 S HN 0.501 nan 8.310 nan 0.000 0.533 1007 D N 0.424 120.730 120.400 -0.156 0.000 2.348 1007 D HA 0.224 4.868 4.640 0.007 0.000 0.211 1007 D C -0.417 175.694 176.300 -0.314 0.000 0.998 1007 D CA 0.207 54.046 54.000 -0.268 0.000 0.873 1007 D CB 0.009 40.558 40.800 -0.418 0.000 0.925 1007 D HN 0.441 nan 8.370 nan 0.000 0.524 1008 F N 0.653 120.621 119.950 0.030 0.000 2.404 1008 F HA 0.340 4.871 4.527 0.007 0.000 0.339 1008 F C 0.801 176.576 175.800 -0.042 0.000 1.105 1008 F CA -0.312 57.692 58.000 0.008 0.000 1.087 1008 F CB 1.624 40.593 39.000 -0.053 0.000 1.143 1008 F HN -0.451 nan 8.300 nan 0.000 0.491 1009 T N 2.131 116.733 114.554 0.080 0.000 2.881 1009 T HA 0.184 4.538 4.350 0.007 0.000 0.290 1009 T C -1.610 172.980 174.700 -0.184 0.000 1.000 1009 T CA -0.562 61.458 62.100 -0.134 0.000 0.978 1009 T CB 0.879 69.465 68.868 -0.470 0.000 0.997 1009 T HN 0.341 nan 8.240 nan 0.000 0.443 1010 Y N 3.939 124.066 120.300 -0.289 0.000 2.404 1010 Y HA 0.544 5.098 4.550 0.007 0.000 0.344 1010 Y C -0.884 174.836 175.900 -0.300 0.000 0.995 1010 Y CA -1.051 56.865 58.100 -0.307 0.000 1.201 1010 Y CB 0.292 38.610 38.460 -0.235 0.000 1.151 1010 Y HN 0.370 nan 8.280 nan 0.000 0.517 1011 V N 7.335 126.919 119.914 -0.549 0.000 2.444 1011 V HA 0.493 4.617 4.120 0.007 0.000 0.294 1011 V C -0.850 174.951 176.094 -0.487 0.000 1.022 1011 V CA -0.981 61.012 62.300 -0.512 0.000 0.850 1011 V CB 1.509 33.038 31.823 -0.491 0.000 0.992 1011 V HN 0.526 nan 8.190 nan 0.000 0.426 1012 V N 4.196 123.855 119.914 -0.425 0.000 2.487 1012 V HA 0.576 4.700 4.120 0.007 0.000 0.298 1012 V C -0.335 175.679 176.094 -0.135 0.000 1.028 1012 V CA -0.478 61.642 62.300 -0.300 0.000 0.860 1012 V CB 1.841 33.463 31.823 -0.335 0.000 0.991 1012 V HN 0.980 nan 8.190 nan 0.000 0.427 1013 E N 2.979 123.126 120.200 -0.088 0.000 2.272 1013 E HA 0.517 4.871 4.350 0.007 0.000 0.269 1013 E C -1.488 175.164 176.600 0.086 0.000 0.877 1013 E CA -0.662 55.741 56.400 0.006 0.000 0.755 1013 E CB 2.176 31.859 29.700 -0.028 0.000 1.192 1013 E HN 0.890 nan 8.360 nan 0.000 0.422 1014 D N 2.708 123.189 120.400 0.134 0.000 2.487 1014 D HA 0.132 4.776 4.640 0.007 0.000 0.262 1014 D C 0.994 177.422 176.300 0.214 0.000 1.130 1014 D CA -0.488 53.594 54.000 0.138 0.000 1.038 1014 D CB 0.684 41.533 40.800 0.082 0.000 1.142 1014 D HN 0.484 nan 8.370 nan 0.000 0.575 1015 M N -0.313 119.343 119.600 0.094 0.000 2.549 1015 M HA -0.001 4.483 4.480 0.007 0.000 0.260 1015 M C 1.331 177.786 176.300 0.260 0.000 1.076 1015 M CA 1.031 56.358 55.300 0.044 0.000 1.090 1015 M CB -0.160 32.298 32.600 -0.237 0.000 1.418 1015 M HN 0.597 nan 8.290 nan 0.000 0.486 1016 A N -0.653 122.287 122.820 0.200 0.000 2.308 1016 A HA 0.465 4.789 4.320 0.007 0.000 0.217 1016 A C 1.597 179.256 177.584 0.126 0.000 1.216 1016 A CA 0.673 52.803 52.037 0.156 0.000 0.864 1016 A CB -0.157 18.907 19.000 0.107 0.000 0.902 1016 A HN 0.568 nan 8.150 nan 0.000 0.499 1017 G N -0.378 108.531 108.800 0.182 0.000 2.157 1017 G HA2 -0.218 3.746 3.960 0.007 0.000 0.239 1017 G HA3 -0.218 3.746 3.960 0.007 0.000 0.239 1017 G C -0.115 174.860 174.900 0.125 0.000 0.982 1017 G CA -0.029 45.175 45.100 0.172 0.000 0.650 1017 G HN 0.445 nan 8.290 nan 0.000 0.527 1018 N N 0.226 118.988 118.700 0.104 0.000 2.492 1018 N HA 0.521 5.265 4.740 0.007 0.000 0.262 1018 N C -0.127 175.431 175.510 0.080 0.000 1.202 1018 N CA 0.619 53.714 53.050 0.074 0.000 0.926 1018 N CB 1.626 40.145 38.487 0.054 0.000 1.078 1018 N HN 0.588 nan 8.380 nan 0.000 0.454 1019 I N 0.148 120.765 120.570 0.078 0.000 2.913 1019 I HA 0.332 4.506 4.170 0.007 0.000 0.302 1019 I C -0.909 175.238 176.117 0.051 0.000 1.246 1019 I CA -0.481 60.870 61.300 0.085 0.000 1.010 1019 I CB 2.311 40.410 38.000 0.165 0.000 1.259 1019 I HN 0.540 nan 8.210 nan 0.000 0.434 1020 T N 2.448 116.990 114.554 -0.020 0.000 2.900 1020 T HA 0.687 5.042 4.350 0.007 0.000 0.295 1020 T C -1.421 173.184 174.700 -0.158 0.000 1.044 1020 T CA -0.532 61.459 62.100 -0.181 0.000 0.995 1020 T CB 1.566 70.319 68.868 -0.191 0.000 1.072 1020 T HN 0.542 nan 8.240 nan 0.000 0.473 1021 Y N -0.991 119.226 120.300 -0.138 0.000 2.332 1021 Y HA 0.703 5.257 4.550 0.007 0.000 0.325 1021 Y C -0.774 175.034 175.900 -0.153 0.000 1.054 1021 Y CA -1.139 56.806 58.100 -0.258 0.000 1.119 1021 Y CB 1.268 39.580 38.460 -0.246 0.000 1.168 1021 Y HN 0.717 nan 8.280 nan 0.000 0.439 1022 T N 4.833 119.324 114.554 -0.104 0.000 2.848 1022 T HA 0.458 4.812 4.350 0.007 0.000 0.285 1022 T C -2.969 171.729 174.700 -0.004 0.000 0.995 1022 T CA -1.843 60.234 62.100 -0.037 0.000 0.970 1022 T CB 1.934 70.804 68.868 0.004 0.000 0.976 1022 T HN 0.314 nan 8.240 nan 0.000 0.441 1023 P HA 0.118 nan 4.420 nan 0.000 0.268 1023 P C 0.969 178.281 177.300 0.019 0.000 1.204 1023 P CA -0.225 62.894 63.100 0.032 0.000 0.768 1023 P CB 0.608 32.339 31.700 0.051 0.000 0.842 1024 V N 2.732 122.662 119.914 0.027 0.000 2.407 1024 V HA -0.243 3.881 4.120 0.007 0.000 0.248 1024 V C 2.294 178.376 176.094 -0.019 0.000 1.055 1024 V CA 2.751 65.044 62.300 -0.011 0.000 1.049 1024 V CB -1.698 30.117 31.823 -0.014 0.000 0.662 1024 V HN 0.710 nan 8.190 nan 0.000 0.455 1025 T N -1.515 113.042 114.554 0.005 0.000 2.881 1025 T HA -0.284 4.070 4.350 0.007 0.000 0.270 1025 T C 1.822 176.521 174.700 -0.001 0.000 1.068 1025 T CA 1.746 63.846 62.100 -0.000 0.000 1.131 1025 T CB -0.271 68.605 68.868 0.012 0.000 0.871 1025 T HN 0.500 nan 8.240 nan 0.000 0.479 1026 K N 0.839 121.238 120.400 -0.002 0.000 2.103 1026 K HA 0.111 4.436 4.320 0.007 0.000 0.204 1026 K C 2.309 178.887 176.600 -0.038 0.000 1.052 1026 K CA 0.718 56.998 56.287 -0.012 0.000 0.945 1026 K CB -0.315 32.181 32.500 -0.007 0.000 0.722 1026 K HN 0.367 nan 8.250 nan 0.000 0.443 1027 L N 0.951 122.149 121.223 -0.043 0.000 2.046 1027 L HA -0.183 4.161 4.340 0.007 0.000 0.208 1027 L C 2.317 179.138 176.870 -0.082 0.000 1.077 1027 L CA 1.030 55.824 54.840 -0.076 0.000 0.747 1027 L CB -0.385 41.627 42.059 -0.080 0.000 0.896 1027 L HN 0.231 nan 8.230 nan 0.000 0.432 1028 L N -0.734 120.482 121.223 -0.011 0.000 2.141 1028 L HA -0.142 4.202 4.340 0.007 0.000 0.209 1028 L C 2.368 179.314 176.870 0.128 0.000 1.094 1028 L CA 0.817 55.709 54.840 0.086 0.000 0.763 1028 L CB -0.399 41.696 42.059 0.059 0.000 0.908 1028 L HN 0.258 nan 8.230 nan 0.000 0.437 1029 E N 0.326 120.546 120.200 0.034 0.000 2.481 1029 E HA -0.016 4.338 4.350 0.007 0.000 0.195 1029 E C 1.808 178.384 176.600 -0.041 0.000 1.047 1029 E CA 0.489 56.911 56.400 0.038 0.000 0.867 1029 E CB 0.068 29.778 29.700 0.016 0.000 0.858 1029 E HN 0.398 nan 8.360 nan 0.000 0.513 1030 G N 1.360 110.042 108.800 -0.195 0.000 3.229 1030 G HA2 -0.111 3.854 3.960 0.007 0.000 0.214 1030 G HA3 -0.111 3.854 3.960 0.007 0.000 0.214 1030 G C 0.330 174.955 174.900 -0.458 0.000 1.256 1030 G CA 0.142 45.058 45.100 -0.306 0.000 1.042 1030 G HN 0.171 nan 8.290 nan 0.000 0.497 1031 H N -0.107 118.964 119.070 0.002 0.000 2.569 1031 H HA 0.365 4.926 4.556 0.007 0.000 0.357 1031 H C 0.326 175.656 175.328 0.003 0.000 1.153 1031 H CA -0.467 55.583 56.048 0.003 0.000 1.193 1031 H CB 1.890 31.655 29.762 0.004 0.000 1.602 1031 H HN 0.235 nan 8.280 nan 0.000 0.523 1032 S N 0.000 115.769 115.700 0.115 0.000 2.498 1032 S HA 0.000 4.474 4.470 0.007 0.000 0.327 1032 S CA 0.000 58.239 58.200 0.065 0.000 1.107 1032 S CB 0.000 63.226 63.200 0.044 0.000 0.593 1032 S HN 0.000 nan 8.310 nan 0.000 0.517