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 2xap_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLYXQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.520 175.510 0.016 0.000 1.280 4 N CA 0.000 53.061 53.050 0.019 0.000 0.885 4 N CB 0.000 38.496 38.487 0.016 0.000 1.341 5 L N 1.984 123.218 121.223 0.019 0.000 3.092 5 L HA -0.164 4.177 4.340 0.001 0.000 0.617 5 L C -1.253 175.602 176.870 -0.024 0.000 1.006 5 L CA -0.007 54.837 54.840 0.006 0.000 1.302 5 L CB -0.326 41.744 42.059 0.018 0.000 1.573 5 L HN 0.253 nan 8.230 nan 0.000 0.771 6 L N 4.724 125.931 121.223 -0.027 0.000 2.375 6 L HA 0.580 4.921 4.340 0.001 0.000 0.271 6 L C 0.096 176.914 176.870 -0.086 0.000 1.107 6 L CA -0.555 54.261 54.840 -0.041 0.000 0.806 6 L CB 1.550 43.597 42.059 -0.020 0.000 1.146 6 L HN 0.249 nan 8.230 nan 0.000 0.447 7 V N 1.105 120.964 119.914 -0.091 0.000 2.487 7 V HA 0.273 4.393 4.120 0.001 0.000 0.298 7 V C -0.091 175.949 176.094 -0.090 0.000 1.028 7 V CA -0.638 61.584 62.300 -0.129 0.000 0.860 7 V CB 1.938 33.674 31.823 -0.146 0.000 0.991 7 V HN 0.734 nan 8.190 nan 0.000 0.427 8 T N 5.661 120.159 114.554 -0.094 0.000 2.737 8 T HA 0.241 4.591 4.350 0.001 0.000 0.296 8 T C 0.312 174.974 174.700 -0.064 0.000 0.922 8 T CA -0.258 61.805 62.100 -0.061 0.000 1.079 8 T CB 0.395 69.237 68.868 -0.043 0.000 0.892 8 T HN 0.424 nan 8.240 nan 0.000 0.514 9 K N 2.153 122.525 120.400 -0.047 0.000 2.132 9 K HA 0.228 4.549 4.320 0.001 0.000 0.240 9 K C 1.587 178.162 176.600 -0.042 0.000 1.036 9 K CA -0.593 55.668 56.287 -0.044 0.000 0.888 9 K CB 0.467 32.950 32.500 -0.029 0.000 1.071 9 K HN 0.403 nan 8.250 nan 0.000 0.502 10 R N 1.205 121.680 120.500 -0.042 0.000 2.120 10 R HA -0.147 4.193 4.340 0.001 0.000 0.234 10 R C 1.471 177.754 176.300 -0.028 0.000 1.123 10 R CA 1.846 57.922 56.100 -0.040 0.000 0.975 10 R CB -0.509 29.763 30.300 -0.045 0.000 0.866 10 R HN 0.686 nan 8.270 nan 0.000 0.446 11 D N -1.624 118.762 120.400 -0.022 0.000 2.123 11 D HA -0.026 4.614 4.640 0.001 0.000 0.200 11 D C 1.357 177.649 176.300 -0.014 0.000 0.976 11 D CA 1.477 55.468 54.000 -0.016 0.000 0.831 11 D CB -0.149 40.643 40.800 -0.012 0.000 0.974 11 D HN 0.287 nan 8.370 nan 0.000 0.469 12 G N -0.699 108.092 108.800 -0.016 0.000 2.738 12 G HA2 -0.128 3.833 3.960 0.001 0.000 0.195 12 G HA3 -0.128 3.833 3.960 0.001 0.000 0.195 12 G C 0.262 175.154 174.900 -0.012 0.000 1.001 12 G CA 0.106 45.199 45.100 -0.012 0.000 0.759 12 G HN 0.730 nan 8.290 nan 0.000 0.494 13 S N 0.950 116.643 115.700 -0.013 0.000 2.576 13 S HA 0.529 4.999 4.470 0.001 0.000 0.276 13 S C 0.383 174.973 174.600 -0.017 0.000 1.339 13 S CA 0.763 58.956 58.200 -0.012 0.000 1.039 13 S CB 1.348 64.542 63.200 -0.010 0.000 0.902 13 S HN 1.319 nan 8.310 nan 0.000 0.516 14 T N 0.060 114.605 114.554 -0.015 0.000 2.811 14 T HA 0.437 4.787 4.350 0.001 0.000 0.309 14 T C -0.218 174.471 174.700 -0.019 0.000 1.005 14 T CA -0.766 61.322 62.100 -0.020 0.000 0.955 14 T CB 0.357 69.217 68.868 -0.014 0.000 0.970 14 T HN 0.788 nan 8.240 nan 0.000 0.496 15 E N 2.488 122.672 120.200 -0.026 0.000 2.602 15 E HA 0.430 4.780 4.350 0.001 0.000 0.255 15 E C 0.096 176.679 176.600 -0.028 0.000 1.268 15 E CA -0.964 55.422 56.400 -0.022 0.000 1.007 15 E CB 0.923 30.610 29.700 -0.021 0.000 1.208 15 E HN 0.532 nan 8.360 nan 0.000 0.584 16 R N 0.728 121.214 120.500 -0.022 0.000 2.668 16 R HA 0.332 4.672 4.340 0.001 0.000 0.279 16 R C -0.341 175.941 176.300 -0.031 0.000 0.976 16 R CA -0.882 55.204 56.100 -0.024 0.000 0.978 16 R CB 0.995 31.289 30.300 -0.011 0.000 1.133 16 R HN 0.481 nan 8.270 nan 0.000 0.484 17 I N 2.822 123.368 120.570 -0.039 0.000 2.598 17 I HA -0.069 4.102 4.170 0.001 0.000 0.284 17 I C -0.496 175.613 176.117 -0.015 0.000 1.140 17 I CA 0.515 61.784 61.300 -0.051 0.000 1.420 17 I CB 0.335 38.298 38.000 -0.063 0.000 1.387 17 I HN 0.562 nan 8.210 nan 0.000 0.553 18 N N 7.949 126.642 118.700 -0.012 0.000 2.609 18 N HA 0.197 4.938 4.740 0.001 0.000 0.234 18 N C 0.711 176.248 175.510 0.044 0.000 1.001 18 N CA -0.327 52.733 53.050 0.017 0.000 0.926 18 N CB 0.788 39.285 38.487 0.017 0.000 1.130 18 N HN 0.591 nan 8.380 nan 0.000 0.510 19 L N 1.280 122.546 121.223 0.071 0.000 2.141 19 L HA -0.076 4.264 4.340 0.001 0.000 0.209 19 L C 1.490 178.443 176.870 0.139 0.000 1.094 19 L CA 0.855 55.778 54.840 0.139 0.000 0.763 19 L CB -0.013 42.136 42.059 0.150 0.000 0.908 19 L HN 0.394 nan 8.230 nan 0.000 0.437 20 D N 0.245 120.695 120.400 0.084 0.000 2.117 20 D HA -0.197 4.444 4.640 0.001 0.000 0.198 20 D C 2.103 178.464 176.300 0.101 0.000 0.982 20 D CA 1.157 55.206 54.000 0.082 0.000 0.828 20 D CB 0.060 40.885 40.800 0.041 0.000 0.967 20 D HN 0.263 nan 8.370 nan 0.000 0.464 21 K N 0.566 121.005 120.400 0.065 0.000 2.097 21 K HA -0.066 4.254 4.320 0.001 0.000 0.205 21 K C 2.308 178.919 176.600 0.017 0.000 1.050 21 K CA 0.522 56.831 56.287 0.036 0.000 0.938 21 K CB 0.010 32.528 32.500 0.028 0.000 0.718 21 K HN 0.066 nan 8.250 nan 0.000 0.442 22 I N -0.175 120.428 120.570 0.054 0.000 2.202 22 I HA -0.274 3.896 4.170 0.001 0.000 0.242 22 I C 2.356 178.515 176.117 0.071 0.000 1.091 22 I CA 1.437 62.767 61.300 0.051 0.000 1.368 22 I CB -0.350 37.736 38.000 0.143 0.000 1.058 22 I HN 0.303 nan 8.210 nan 0.000 0.410 23 H N 1.189 120.286 119.070 0.045 0.000 2.387 23 H HA -0.111 4.445 4.556 0.001 0.000 0.299 23 H C 2.383 177.714 175.328 0.005 0.000 1.099 23 H CA 1.713 57.777 56.048 0.028 0.000 1.315 23 H CB 0.115 29.895 29.762 0.030 0.000 1.380 23 H HN 0.107 nan 8.280 nan 0.000 0.513 24 R N -0.597 119.932 120.500 0.049 0.000 2.075 24 R HA -0.068 4.273 4.340 0.001 0.000 0.232 24 R C 2.378 178.648 176.300 -0.050 0.000 1.126 24 R CA 1.244 57.344 56.100 -0.000 0.000 0.963 24 R CB -0.159 30.155 30.300 0.023 0.000 0.858 24 R HN 0.210 nan 8.270 nan 0.000 0.435 25 V N 1.567 121.408 119.914 -0.122 0.000 2.343 25 V HA -0.229 3.892 4.120 0.001 0.000 0.247 25 V C 2.283 178.363 176.094 -0.025 0.000 1.051 25 V CA 1.613 63.790 62.300 -0.205 0.000 1.036 25 V CB -0.379 31.117 31.823 -0.545 0.000 0.654 25 V HN 0.274 nan 8.190 nan 0.000 0.451 26 L N -0.354 120.811 121.223 -0.097 0.000 2.093 26 L HA -0.173 4.168 4.340 0.001 0.000 0.208 26 L C 2.453 179.243 176.870 -0.134 0.000 1.085 26 L CA 1.646 56.423 54.840 -0.104 0.000 0.755 26 L CB -0.605 41.372 42.059 -0.136 0.000 0.904 26 L HN 0.364 nan 8.230 nan 0.000 0.435 27 D N -0.612 119.679 120.400 -0.182 0.000 2.117 27 D HA -0.252 4.389 4.640 0.001 0.000 0.197 27 D C 1.888 178.163 176.300 -0.041 0.000 0.987 27 D CA 1.126 55.035 54.000 -0.150 0.000 0.829 27 D CB -0.029 40.683 40.800 -0.147 0.000 0.961 27 D HN 0.417 nan 8.370 nan 0.000 0.460 28 W N 1.868 123.075 121.300 -0.156 0.000 2.335 28 W HA -0.160 4.500 4.660 0.001 0.000 0.311 28 W C 2.214 178.678 176.519 -0.092 0.000 1.213 28 W CA 2.563 59.834 57.345 -0.123 0.000 1.274 28 W CB -0.579 28.787 29.460 -0.157 0.000 1.148 28 W HN -0.032 nan 8.180 nan 0.000 0.498 29 A N 0.492 123.108 122.820 -0.340 0.000 2.067 29 A HA 0.099 4.419 4.320 0.001 0.000 0.219 29 A C 2.008 179.366 177.584 -0.378 0.000 1.158 29 A CA 1.834 53.517 52.037 -0.589 0.000 0.661 29 A CB -1.285 17.579 19.000 -0.227 0.000 0.801 29 A HN 0.480 nan 8.150 nan 0.000 0.452 30 A N -0.382 122.280 122.820 -0.264 0.000 2.169 30 A HA 0.204 4.525 4.320 0.001 0.000 0.212 30 A C 0.913 178.354 177.584 -0.237 0.000 1.153 30 A CA 0.564 52.467 52.037 -0.224 0.000 0.756 30 A CB -0.293 18.597 19.000 -0.183 0.000 0.813 30 A HN 0.483 nan 8.150 nan 0.000 0.471 31 E N 0.042 120.089 120.200 -0.255 0.000 2.729 31 E HA 0.262 4.612 4.350 0.001 0.000 0.246 31 E C 1.232 177.694 176.600 -0.230 0.000 0.984 31 E CA 1.163 57.434 56.400 -0.216 0.000 0.951 31 E CB -0.546 29.028 29.700 -0.210 0.000 0.914 31 E HN 0.811 nan 8.360 nan 0.000 0.509 32 G N 3.594 112.255 108.800 -0.231 0.000 2.199 32 G HA2 -0.279 3.681 3.960 0.001 0.000 0.254 32 G HA3 -0.279 3.681 3.960 0.001 0.000 0.254 32 G C 0.149 174.778 174.900 -0.451 0.000 0.982 32 G CA 0.244 45.178 45.100 -0.277 0.000 0.632 32 G HN 0.483 nan 8.290 nan 0.000 0.529 33 L N 0.594 121.573 121.223 -0.407 0.000 2.375 33 L HA 0.679 5.019 4.340 0.001 0.000 0.271 33 L C 0.646 177.207 176.870 -0.515 0.000 1.107 33 L CA -0.975 53.623 54.840 -0.403 0.000 0.806 33 L CB 0.850 42.758 42.059 -0.251 0.000 1.146 33 L HN 0.235 nan 8.230 nan 0.000 0.447 34 H N 0.365 119.375 119.070 -0.100 0.000 2.573 34 H HA 0.257 4.814 4.556 0.001 0.000 0.351 34 H C 0.045 175.301 175.328 -0.120 0.000 1.163 34 H CA -0.746 55.250 56.048 -0.087 0.000 1.205 34 H CB 1.102 30.837 29.762 -0.046 0.000 1.605 34 H HN 0.649 nan 8.280 nan 0.000 0.525 35 N N -0.191 118.524 118.700 0.026 0.000 2.725 35 N HA -0.191 4.550 4.740 0.001 0.000 0.249 35 N C -1.022 174.391 175.510 -0.162 0.000 1.103 35 N CA 0.314 53.346 53.050 -0.029 0.000 0.707 35 N CB -0.429 38.065 38.487 0.011 0.000 1.043 35 N HN 0.319 nan 8.380 nan 0.000 0.553 36 V N -1.953 117.804 119.914 -0.262 0.000 2.459 36 V HA 0.704 4.824 4.120 0.001 0.000 0.295 36 V C 0.230 176.222 176.094 -0.169 0.000 1.029 36 V CA -0.610 61.398 62.300 -0.487 0.000 0.874 36 V CB 1.842 33.263 31.823 -0.670 0.000 0.985 36 V HN 0.137 nan 8.190 nan 0.000 0.438 37 S N 3.982 119.688 115.700 0.010 0.000 2.474 37 S HA 0.557 5.027 4.470 0.001 0.000 0.321 37 S C 0.737 175.375 174.600 0.064 0.000 1.080 37 S CA -0.737 57.494 58.200 0.052 0.000 1.106 37 S CB 0.801 64.051 63.200 0.083 0.000 0.984 37 S HN 0.704 nan 8.310 nan 0.000 0.464 38 I N 4.148 124.720 120.570 0.004 0.000 2.315 38 I HA -0.135 4.036 4.170 0.001 0.000 0.248 38 I C 2.646 178.761 176.117 -0.002 0.000 1.117 38 I CA 1.328 62.618 61.300 -0.017 0.000 1.404 38 I CB -0.356 37.588 38.000 -0.093 0.000 1.071 38 I HN 0.794 nan 8.210 nan 0.000 0.419 39 S N 0.283 115.991 115.700 0.013 0.000 2.382 39 S HA -0.275 4.195 4.470 0.001 0.000 0.228 39 S C 1.981 176.552 174.600 -0.049 0.000 1.027 39 S CA 1.145 59.336 58.200 -0.014 0.000 0.991 39 S CB -0.464 62.735 63.200 -0.002 0.000 0.823 39 S HN 0.347 nan 8.310 nan 0.000 0.469 40 Q N 1.337 121.128 119.800 -0.015 0.000 2.096 40 Q HA -0.032 4.308 4.340 0.001 0.000 0.204 40 Q C 2.118 178.086 176.000 -0.054 0.000 0.982 40 Q CA 1.975 57.762 55.803 -0.026 0.000 0.850 40 Q CB -0.811 27.937 28.738 0.017 0.000 0.901 40 Q HN 0.503 nan 8.270 nan 0.000 0.422 41 V N 0.523 120.423 119.914 -0.023 0.000 2.358 41 V HA -0.246 3.875 4.120 0.001 0.000 0.246 41 V C 2.014 178.055 176.094 -0.087 0.000 1.047 41 V CA 2.153 64.431 62.300 -0.037 0.000 1.035 41 V CB -0.563 31.273 31.823 0.023 0.000 0.658 41 V HN 0.417 nan 8.190 nan 0.000 0.452 42 E N 0.127 120.234 120.200 -0.155 0.000 2.051 42 E HA -0.196 4.154 4.350 0.001 0.000 0.192 42 E C 2.274 178.594 176.600 -0.467 0.000 0.991 42 E CA 1.340 57.480 56.400 -0.433 0.000 0.799 42 E CB -0.249 29.160 29.700 -0.484 0.000 0.748 42 E HN 0.475 nan 8.360 nan 0.000 0.449 43 L N 0.485 121.549 121.223 -0.266 0.000 2.012 43 L HA -0.234 4.107 4.340 0.001 0.000 0.210 43 L C 2.609 179.391 176.870 -0.147 0.000 1.073 43 L CA 1.400 56.131 54.840 -0.183 0.000 0.748 43 L CB -0.306 41.684 42.059 -0.115 0.000 0.891 43 L HN 0.064 nan 8.230 nan 0.000 0.431 44 R N -0.602 119.821 120.500 -0.128 0.000 2.115 44 R HA -0.095 4.246 4.340 0.001 0.000 0.226 44 R C 2.525 178.757 176.300 -0.114 0.000 1.100 44 R CA 1.498 57.535 56.100 -0.105 0.000 0.980 44 R CB -0.126 30.116 30.300 -0.097 0.000 0.875 44 R HN 0.481 nan 8.270 nan 0.000 0.445 45 S N -0.839 114.782 115.700 -0.131 0.000 2.441 45 S HA -0.018 4.453 4.470 0.001 0.000 0.224 45 S C 1.650 175.880 174.600 -0.616 0.000 1.043 45 S CA 0.285 58.378 58.200 -0.178 0.000 0.948 45 S CB -0.335 62.861 63.200 -0.006 0.000 0.810 45 S HN 0.404 nan 8.310 nan 0.000 0.504 46 H N 0.248 118.796 119.070 -0.870 0.000 2.491 46 H HA 0.142 4.699 4.556 0.001 0.000 0.290 46 H C 1.827 176.785 175.328 -0.618 0.000 1.050 46 H CA 1.020 56.344 56.048 -1.206 0.000 1.309 46 H CB -0.026 29.412 29.762 -0.540 0.000 1.392 46 H HN 0.331 nan 8.280 nan 0.000 0.554 47 I N 1.452 121.888 120.570 -0.224 0.000 2.614 47 I HA -0.203 3.968 4.170 0.001 0.000 0.258 47 I C 1.670 177.763 176.117 -0.040 0.000 1.189 47 I CA 1.294 62.539 61.300 -0.092 0.000 1.462 47 I CB -0.060 37.904 38.000 -0.060 0.000 1.092 47 I HN 0.185 nan 8.210 nan 0.000 0.442 48 Q N -0.704 119.047 119.800 -0.080 0.000 2.392 48 Q HA 0.081 4.421 4.340 0.001 0.000 0.203 48 Q C -0.175 176.009 176.000 0.306 0.000 0.917 48 Q CA -0.116 55.744 55.803 0.096 0.000 0.939 48 Q CB 0.123 28.919 28.738 0.096 0.000 1.063 48 Q HN 0.223 nan 8.270 nan 0.000 0.516 49 F N 1.422 121.402 119.950 0.049 0.000 2.471 49 F HA 0.180 4.707 4.527 0.001 0.000 0.353 49 F C 0.177 176.009 175.800 0.052 0.000 1.113 49 F CA -1.447 56.523 58.000 -0.050 0.000 1.262 49 F CB -0.236 38.685 39.000 -0.132 0.000 1.146 49 F HN -0.021 nan 8.300 nan 0.000 0.578 50 Y N -1.542 118.860 120.300 0.170 0.000 2.576 50 Y HA 0.424 4.975 4.550 0.001 0.000 0.346 50 Y C -0.426 175.500 175.900 0.043 0.000 1.018 50 Y CA -1.757 56.395 58.100 0.087 0.000 1.050 50 Y CB 0.598 39.094 38.460 0.060 0.000 1.280 50 Y HN 0.492 nan 8.280 nan 0.000 0.474 51 D N 1.231 121.742 120.400 0.186 0.000 2.412 51 D HA 0.289 4.929 4.640 0.001 0.000 0.257 51 D C 1.013 177.377 176.300 0.107 0.000 1.217 51 D CA 2.311 56.363 54.000 0.086 0.000 0.897 51 D CB 0.693 41.544 40.800 0.085 0.000 1.132 51 D HN 1.108 nan 8.370 nan 0.000 0.493 52 G N 3.929 112.720 108.800 -0.015 0.000 2.159 52 G HA2 -0.261 3.700 3.960 0.001 0.000 0.227 52 G HA3 -0.261 3.700 3.960 0.001 0.000 0.227 52 G C 0.677 175.522 174.900 -0.092 0.000 0.986 52 G CA -0.041 45.057 45.100 -0.004 0.000 0.651 52 G HN 0.629 nan 8.290 nan 0.000 0.523 53 I N 2.048 122.362 120.570 -0.427 0.000 2.683 53 I HA 0.292 4.462 4.170 0.001 0.000 0.286 53 I C 1.210 177.124 176.117 -0.338 0.000 1.175 53 I CA -0.098 60.780 61.300 -0.703 0.000 1.429 53 I CB 0.306 37.604 38.000 -1.170 0.000 1.371 53 I HN 0.366 nan 8.210 nan 0.000 0.569 54 K N 4.865 125.146 120.400 -0.198 0.000 2.168 54 K HA 0.216 4.536 4.320 0.001 0.000 0.258 54 K C 0.531 177.033 176.600 -0.164 0.000 1.010 54 K CA -0.569 55.637 56.287 -0.134 0.000 0.929 54 K CB 1.043 33.506 32.500 -0.061 0.000 0.998 54 K HN 0.606 nan 8.250 nan 0.000 0.479 55 T N 0.896 115.365 114.554 -0.142 0.000 2.708 55 T HA -0.204 4.147 4.350 0.001 0.000 0.266 55 T C 2.012 176.593 174.700 -0.199 0.000 1.037 55 T CA 2.140 64.146 62.100 -0.157 0.000 1.146 55 T CB -0.428 68.356 68.868 -0.140 0.000 0.865 55 T HN 0.836 nan 8.240 nan 0.000 0.435 56 S N 2.028 117.628 115.700 -0.166 0.000 2.383 56 S HA -0.203 4.267 4.470 0.001 0.000 0.229 56 S C 1.675 176.224 174.600 -0.084 0.000 1.030 56 S CA 1.388 59.527 58.200 -0.103 0.000 1.002 56 S CB -0.557 62.654 63.200 0.018 0.000 0.829 56 S HN 0.398 nan 8.310 nan 0.000 0.467 57 D N 1.596 121.956 120.400 -0.066 0.000 2.144 57 D HA 0.074 4.715 4.640 0.001 0.000 0.200 57 D C 1.945 178.223 176.300 -0.037 0.000 0.978 57 D CA 0.972 54.951 54.000 -0.036 0.000 0.833 57 D CB -0.322 40.467 40.800 -0.019 0.000 0.961 57 D HN 0.466 nan 8.370 nan 0.000 0.470 58 I N 0.695 121.192 120.570 -0.121 0.000 2.179 58 I HA -0.264 3.907 4.170 0.001 0.000 0.242 58 I C 2.399 178.564 176.117 0.080 0.000 1.088 58 I CA 1.097 62.300 61.300 -0.161 0.000 1.357 58 I CB -0.300 37.460 38.000 -0.401 0.000 1.051 58 I HN 0.131 nan 8.210 nan 0.000 0.409 59 H N 0.603 119.617 119.070 -0.094 0.000 2.290 59 H HA -0.187 4.370 4.556 0.001 0.000 0.298 59 H C 2.124 177.373 175.328 -0.132 0.000 1.087 59 H CA 1.641 57.633 56.048 -0.095 0.000 1.291 59 H CB -0.022 29.636 29.762 -0.173 0.000 1.369 59 H HN 0.438 nan 8.280 nan 0.000 0.492 60 E N -0.057 120.107 120.200 -0.059 0.000 2.150 60 E HA -0.103 4.248 4.350 0.001 0.000 0.193 60 E C 2.146 178.771 176.600 0.042 0.000 0.985 60 E CA 1.202 57.575 56.400 -0.045 0.000 0.814 60 E CB 0.027 29.698 29.700 -0.048 0.000 0.752 60 E HN 0.392 nan 8.360 nan 0.000 0.466 61 T N 2.283 116.891 114.554 0.091 0.000 2.737 61 T HA -0.116 4.234 4.350 0.001 0.000 0.265 61 T C 2.002 176.771 174.700 0.116 0.000 1.038 61 T CA 1.164 63.348 62.100 0.140 0.000 1.144 61 T CB -0.135 68.898 68.868 0.274 0.000 0.866 61 T HN 0.279 nan 8.240 nan 0.000 0.434 62 I N 0.268 120.922 120.570 0.139 0.000 2.439 62 I HA 0.006 4.176 4.170 0.001 0.000 0.251 62 I C 2.031 178.162 176.117 0.024 0.000 1.139 62 I CA 1.349 62.706 61.300 0.095 0.000 1.438 62 I CB -1.045 37.036 38.000 0.135 0.000 1.085 62 I HN 0.237 nan 8.210 nan 0.000 0.427 63 I N 1.880 122.462 120.570 0.021 0.000 2.142 63 I HA -0.303 3.868 4.170 0.001 0.000 0.240 63 I C 2.809 178.865 176.117 -0.101 0.000 1.078 63 I CA 1.825 63.119 61.300 -0.009 0.000 1.343 63 I CB -0.490 37.554 38.000 0.074 0.000 1.046 63 I HN 0.219 nan 8.210 nan 0.000 0.405 64 K N 1.023 121.399 120.400 -0.040 0.000 2.103 64 K HA -0.210 4.111 4.320 0.001 0.000 0.207 64 K C 2.164 178.702 176.600 -0.103 0.000 1.048 64 K CA 1.454 57.704 56.287 -0.060 0.000 0.930 64 K CB -0.116 32.390 32.500 0.009 0.000 0.716 64 K HN 0.333 nan 8.250 nan 0.000 0.444 65 A N 1.022 123.799 122.820 -0.071 0.000 1.877 65 A HA -0.143 4.177 4.320 0.001 0.000 0.216 65 A C 2.328 179.819 177.584 -0.154 0.000 1.186 65 A CA 1.977 53.959 52.037 -0.092 0.000 0.620 65 A CB -0.872 18.097 19.000 -0.050 0.000 0.822 65 A HN 0.473 nan 8.150 nan 0.000 0.443 66 A N -0.208 122.533 122.820 -0.131 0.000 1.902 66 A HA 0.163 4.484 4.320 0.001 0.000 0.217 66 A C 2.523 179.961 177.584 -0.242 0.000 1.181 66 A CA 2.147 54.110 52.037 -0.123 0.000 0.623 66 A CB -1.082 17.906 19.000 -0.020 0.000 0.818 66 A HN 1.118 nan 8.150 nan 0.000 0.443 67 A N 0.002 122.609 122.820 -0.355 0.000 1.940 67 A HA -0.201 4.120 4.320 0.001 0.000 0.219 67 A C 1.674 179.108 177.584 -0.250 0.000 1.176 67 A CA 1.891 53.653 52.037 -0.457 0.000 0.631 67 A CB -0.579 17.990 19.000 -0.718 0.000 0.814 67 A HN 0.462 nan 8.150 nan 0.000 0.446 68 D N -0.403 119.867 120.400 -0.216 0.000 2.310 68 D HA -0.025 4.616 4.640 0.001 0.000 0.212 68 D C 1.412 177.571 176.300 -0.235 0.000 0.965 68 D CA 0.726 54.623 54.000 -0.172 0.000 0.879 68 D CB -0.098 40.622 40.800 -0.134 0.000 0.921 68 D HN 0.466 nan 8.370 nan 0.000 0.510 69 L N 0.416 121.404 121.223 -0.392 0.000 2.592 69 L HA 0.191 4.532 4.340 0.001 0.000 0.227 69 L C 0.661 177.259 176.870 -0.453 0.000 1.127 69 L CA -0.179 54.295 54.840 -0.610 0.000 0.884 69 L CB 0.259 41.555 42.059 -1.272 0.000 1.065 69 L HN -0.161 nan 8.230 nan 0.000 0.457 70 I N 0.694 121.140 120.570 -0.206 0.000 2.662 70 I HA -0.027 4.143 4.170 0.001 0.000 0.285 70 I C 0.654 176.749 176.117 -0.037 0.000 1.161 70 I CA 0.568 61.855 61.300 -0.022 0.000 1.415 70 I CB 0.273 38.268 38.000 -0.010 0.000 1.385 70 I HN 0.225 nan 8.210 nan 0.000 0.552 71 S N 5.747 121.447 115.700 -0.001 0.000 2.656 71 S HA 0.463 4.934 4.470 0.001 0.000 0.273 71 S C 0.625 175.162 174.600 -0.105 0.000 1.168 71 S CA -1.137 57.031 58.200 -0.054 0.000 0.817 71 S CB 1.667 64.840 63.200 -0.045 0.000 1.146 71 S HN 0.684 nan 8.310 nan 0.000 0.475 72 R N 0.446 120.810 120.500 -0.227 0.000 2.115 72 R HA -0.001 4.340 4.340 0.001 0.000 0.230 72 R C 0.317 176.453 176.300 -0.273 0.000 1.111 72 R CA 1.402 57.194 56.100 -0.514 0.000 0.976 72 R CB -0.855 28.902 30.300 -0.906 0.000 0.870 72 R HN 0.575 nan 8.270 nan 0.000 0.445 73 D N 1.673 122.008 120.400 -0.108 0.000 2.183 73 D HA -0.016 4.625 4.640 0.001 0.000 0.203 73 D C 0.444 176.766 176.300 0.036 0.000 0.969 73 D CA 1.446 55.441 54.000 -0.008 0.000 0.842 73 D CB 0.175 40.972 40.800 -0.005 0.000 0.957 73 D HN 0.379 nan 8.370 nan 0.000 0.484 74 A N 1.027 123.884 122.820 0.062 0.000 3.204 74 A HA 0.327 4.648 4.320 0.001 0.000 0.327 74 A C -1.787 175.886 177.584 0.148 0.000 0.998 74 A CA -0.940 51.174 52.037 0.128 0.000 0.891 74 A CB 0.931 20.096 19.000 0.276 0.000 1.061 74 A HN -0.105 nan 8.150 nan 0.000 0.478 75 P HA -0.117 nan 4.420 nan 0.000 0.221 75 P C 0.324 177.711 177.300 0.146 0.000 1.150 75 P CA 1.048 64.211 63.100 0.104 0.000 0.800 75 P CB 0.299 32.069 31.700 0.118 0.000 0.787 76 D N -1.219 119.245 120.400 0.108 0.000 2.351 76 D HA -0.137 4.503 4.640 0.001 0.000 0.216 76 D C 1.590 177.898 176.300 0.014 0.000 0.968 76 D CA 0.735 54.793 54.000 0.097 0.000 0.899 76 D CB -0.796 39.993 40.800 -0.018 0.000 0.907 76 D HN 0.216 nan 8.370 nan 0.000 0.514 77 Y N 1.047 121.367 120.300 0.033 0.000 2.333 77 Y HA -0.141 4.409 4.550 0.001 0.000 0.290 77 Y C 2.366 178.235 175.900 -0.051 0.000 1.144 77 Y CA 0.869 58.954 58.100 -0.025 0.000 1.228 77 Y CB -0.267 38.158 38.460 -0.058 0.000 0.985 77 Y HN 0.068 nan 8.280 nan 0.000 0.542 78 Q N -1.235 118.620 119.800 0.091 0.000 2.133 78 Q HA -0.266 4.074 4.340 0.001 0.000 0.208 78 Q C 1.608 177.518 176.000 -0.149 0.000 0.991 78 Q CA 2.197 57.960 55.803 -0.067 0.000 0.867 78 Q CB -0.379 28.224 28.738 -0.225 0.000 0.911 78 Q HN 0.599 nan 8.270 nan 0.000 0.417 79 Y N -0.816 119.522 120.300 0.063 0.000 2.448 79 Y HA -0.081 4.469 4.550 0.001 0.000 0.289 79 Y C 1.872 177.772 175.900 0.000 0.000 1.114 79 Y CA 0.180 58.307 58.100 0.044 0.000 1.235 79 Y CB -0.041 38.421 38.460 0.004 0.000 1.045 79 Y HN 0.099 nan 8.280 nan 0.000 0.554 80 L N 0.455 121.731 121.223 0.088 0.000 1.994 80 L HA -0.166 4.174 4.340 0.001 0.000 0.208 80 L C 2.409 179.301 176.870 0.037 0.000 1.071 80 L CA 2.132 56.980 54.840 0.013 0.000 0.745 80 L CB -1.017 41.036 42.059 -0.010 0.000 0.892 80 L HN 0.138 nan 8.230 nan 0.000 0.431 81 A N -0.623 122.206 122.820 0.014 0.000 1.902 81 A HA -0.118 4.203 4.320 0.001 0.000 0.217 81 A C 2.436 180.110 177.584 0.149 0.000 1.181 81 A CA 1.906 53.900 52.037 -0.073 0.000 0.623 81 A CB -1.213 17.493 19.000 -0.490 0.000 0.818 81 A HN 0.594 nan 8.150 nan 0.000 0.443 82 A N -0.142 122.822 122.820 0.241 0.000 1.877 82 A HA -0.174 4.146 4.320 0.001 0.000 0.216 82 A C 2.242 180.011 177.584 0.309 0.000 1.186 82 A CA 1.628 53.861 52.037 0.327 0.000 0.620 82 A CB -0.479 18.670 19.000 0.249 0.000 0.822 82 A HN 0.551 nan 8.150 nan 0.000 0.443 83 R N -0.563 120.084 120.500 0.245 0.000 2.081 83 R HA -0.049 4.291 4.340 0.001 0.000 0.235 83 R C 2.066 178.630 176.300 0.441 0.000 1.131 83 R CA 1.483 57.736 56.100 0.255 0.000 0.960 83 R CB -0.538 29.702 30.300 -0.100 0.000 0.856 83 R HN 0.516 nan 8.270 nan 0.000 0.436 84 L N 0.019 121.430 121.223 0.314 0.000 2.046 84 L HA -0.162 4.178 4.340 0.001 0.000 0.208 84 L C 2.676 179.787 176.870 0.402 0.000 1.077 84 L CA 1.302 56.334 54.840 0.320 0.000 0.747 84 L CB -0.572 41.573 42.059 0.143 0.000 0.896 84 L HN 0.256 nan 8.230 nan 0.000 0.432 85 A N 0.101 123.142 122.820 0.369 0.000 1.902 85 A HA -0.169 4.152 4.320 0.001 0.000 0.217 85 A C 2.206 180.019 177.584 0.381 0.000 1.181 85 A CA 1.310 53.577 52.037 0.383 0.000 0.623 85 A CB -0.486 18.735 19.000 0.369 0.000 0.818 85 A HN 0.258 nan 8.150 nan 0.000 0.443 86 I N -1.393 119.412 120.570 0.392 0.000 2.179 86 I HA -0.212 3.959 4.170 0.001 0.000 0.242 86 I C 2.337 178.714 176.117 0.434 0.000 1.088 86 I CA 1.348 62.870 61.300 0.370 0.000 1.357 86 I CB -1.406 36.857 38.000 0.438 0.000 1.051 86 I HN 0.471 nan 8.210 nan 0.000 0.409 87 F N 1.498 121.731 119.950 0.473 0.000 2.095 87 F HA -0.327 4.200 4.527 0.001 0.000 0.298 87 F C 2.875 178.882 175.800 0.345 0.000 1.104 87 F CA 2.317 60.591 58.000 0.456 0.000 1.232 87 F CB -0.456 38.760 39.000 0.359 0.000 0.987 87 F HN 0.181 nan 8.300 nan 0.000 0.475 88 H N 0.121 119.489 119.070 0.498 0.000 2.387 88 H HA -0.107 4.449 4.556 0.001 0.000 0.299 88 H C 2.000 177.416 175.328 0.146 0.000 1.090 88 H CA 2.224 58.514 56.048 0.403 0.000 1.332 88 H CB -0.391 29.620 29.762 0.415 0.000 1.386 88 H HN 0.372 nan 8.280 nan 0.000 0.516 89 L N -0.435 120.792 121.223 0.008 0.000 2.156 89 L HA -0.101 4.240 4.340 0.001 0.000 0.208 89 L C 2.640 179.357 176.870 -0.255 0.000 1.095 89 L CA 0.669 55.413 54.840 -0.160 0.000 0.770 89 L CB -0.255 41.770 42.059 -0.056 0.000 0.914 89 L HN 0.233 nan 8.230 nan 0.000 0.439 90 R N 0.686 121.073 120.500 -0.188 0.000 2.070 90 R HA -0.134 4.206 4.340 0.001 0.000 0.233 90 R C 2.198 178.339 176.300 -0.265 0.000 1.137 90 R CA 1.301 57.251 56.100 -0.250 0.000 0.945 90 R CB -0.513 29.637 30.300 -0.250 0.000 0.845 90 R HN 0.375 nan 8.270 nan 0.000 0.430 91 K N 0.787 121.045 120.400 -0.236 0.000 2.063 91 K HA -0.151 4.169 4.320 0.001 0.000 0.208 91 K C 2.143 178.615 176.600 -0.214 0.000 1.048 91 K CA 1.218 57.394 56.287 -0.184 0.000 0.928 91 K CB -0.148 32.279 32.500 -0.123 0.000 0.713 91 K HN 0.076 nan 8.250 nan 0.000 0.442 92 K N 0.220 120.431 120.400 -0.314 0.000 2.209 92 K HA -0.123 4.197 4.320 0.001 0.000 0.204 92 K C 1.754 178.174 176.600 -0.300 0.000 1.048 92 K CA 1.188 57.279 56.287 -0.326 0.000 0.940 92 K CB 0.084 32.319 32.500 -0.441 0.000 0.729 92 K HN 0.159 nan 8.250 nan 0.000 0.451 93 A N -0.761 121.813 122.820 -0.410 0.000 1.993 93 A HA 0.063 4.383 4.320 0.001 0.000 0.207 93 A C 0.913 178.280 177.584 -0.361 0.000 1.224 93 A CA 0.285 52.013 52.037 -0.516 0.000 0.749 93 A CB 0.065 18.507 19.000 -0.930 0.000 0.884 93 A HN 0.300 nan 8.150 nan 0.000 0.467 94 Y N -1.539 118.726 120.300 -0.058 0.000 2.432 94 Y HA 0.408 4.959 4.550 0.001 0.000 0.252 94 Y C 1.778 177.645 175.900 -0.055 0.000 1.097 94 Y CA -0.440 57.633 58.100 -0.045 0.000 1.250 94 Y CB 0.042 38.452 38.460 -0.083 0.000 1.245 94 Y HN 0.405 nan 8.280 nan 0.000 0.522 95 G N 0.899 109.718 108.800 0.031 0.000 2.184 95 G HA2 -0.246 3.714 3.960 0.001 0.000 0.264 95 G HA3 -0.246 3.714 3.960 0.001 0.000 0.264 95 G C 0.035 174.934 174.900 -0.001 0.000 0.975 95 G CA 0.575 45.677 45.100 0.002 0.000 0.642 95 G HN 0.502 nan 8.290 nan 0.000 0.536 96 Q N -2.642 117.160 119.800 0.005 0.000 2.633 96 Q HA 0.669 5.009 4.340 0.001 0.000 0.289 96 Q C 0.442 176.418 176.000 -0.041 0.000 0.940 96 Q CA -0.766 55.028 55.803 -0.015 0.000 0.785 96 Q CB 0.298 29.041 28.738 0.008 0.000 1.467 96 Q HN 0.402 nan 8.270 nan 0.000 0.401 97 F N 1.095 120.900 119.950 -0.241 0.000 2.113 97 F HA 0.040 4.567 4.527 0.001 0.000 0.297 97 F C 0.660 176.363 175.800 -0.162 0.000 1.103 97 F CA 1.320 59.142 58.000 -0.297 0.000 1.248 97 F CB 0.427 39.211 39.000 -0.359 0.000 0.999 97 F HN 0.528 nan 8.300 nan 0.000 0.475 98 E N 2.689 122.823 120.200 -0.110 0.000 2.299 98 E HA 0.126 4.476 4.350 0.001 0.000 0.272 98 E C -2.229 174.171 176.600 -0.334 0.000 1.043 98 E CA -1.927 54.341 56.400 -0.221 0.000 0.895 98 E CB 0.344 30.012 29.700 -0.055 0.000 1.011 98 E HN 0.129 nan 8.360 nan 0.000 0.432 99 P HA 0.117 nan 4.420 nan 0.000 0.272 99 P C -2.266 174.750 177.300 -0.475 0.000 1.230 99 P CA -1.017 61.538 63.100 -0.909 0.000 0.788 99 P CB -0.092 30.808 31.700 -1.334 0.000 0.949 100 P HA 0.102 nan 4.420 nan 0.000 0.274 100 P C -0.623 176.704 177.300 0.044 0.000 1.260 100 P CA -0.257 62.772 63.100 -0.118 0.000 0.793 100 P CB 0.265 31.916 31.700 -0.081 0.000 1.048 101 A N 0.644 123.495 122.820 0.050 0.000 2.498 101 A HA 0.014 4.334 4.320 0.001 0.000 0.239 101 A C 1.421 179.044 177.584 0.065 0.000 1.068 101 A CA -0.355 51.737 52.037 0.093 0.000 0.766 101 A CB -0.630 18.415 19.000 0.074 0.000 1.003 101 A HN 0.638 nan 8.150 nan 0.000 0.497 102 L N 2.609 123.883 121.223 0.084 0.000 2.013 102 L HA -0.224 4.117 4.340 0.001 0.000 0.212 102 L C 2.036 178.797 176.870 -0.183 0.000 1.073 102 L CA 2.725 57.503 54.840 -0.103 0.000 0.753 102 L CB -1.071 41.022 42.059 0.057 0.000 0.890 102 L HN 0.876 nan 8.230 nan 0.000 0.432 103 Y N 0.429 120.611 120.300 -0.197 0.000 2.145 103 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 103 Y C 2.331 178.067 175.900 -0.273 0.000 1.145 103 Y CA 2.147 60.051 58.100 -0.325 0.000 1.148 103 Y CB -0.420 37.964 38.460 -0.127 0.000 0.981 103 Y HN 0.344 nan 8.280 nan 0.000 0.507 104 D N -1.237 119.075 120.400 -0.146 0.000 2.117 104 D HA -0.219 4.422 4.640 0.001 0.000 0.197 104 D C 1.973 178.128 176.300 -0.241 0.000 0.987 104 D CA 1.892 55.779 54.000 -0.189 0.000 0.829 104 D CB -0.572 40.205 40.800 -0.039 0.000 0.961 104 D HN 0.531 nan 8.370 nan 0.000 0.460 105 H N 0.766 119.643 119.070 -0.321 0.000 2.293 105 H HA -0.073 4.484 4.556 0.001 0.000 0.300 105 H C 2.030 177.132 175.328 -0.376 0.000 1.082 105 H CA 1.560 57.396 56.048 -0.353 0.000 1.308 105 H CB -0.289 29.130 29.762 -0.572 0.000 1.375 105 H HN -0.113 nan 8.280 nan 0.000 0.495 106 V N -0.305 119.311 119.914 -0.496 0.000 2.343 106 V HA -0.234 3.886 4.120 0.001 0.000 0.247 106 V C 2.648 178.449 176.094 -0.487 0.000 1.051 106 V CA 1.514 63.541 62.300 -0.455 0.000 1.036 106 V CB -0.612 30.826 31.823 -0.642 0.000 0.654 106 V HN 0.333 nan 8.190 nan 0.000 0.451 107 V N 0.069 119.609 119.914 -0.623 0.000 2.287 107 V HA -0.332 3.788 4.120 0.001 0.000 0.248 107 V C 2.456 178.325 176.094 -0.375 0.000 1.053 107 V CA 2.527 64.515 62.300 -0.520 0.000 1.027 107 V CB -0.682 30.758 31.823 -0.638 0.000 0.646 107 V HN 0.581 nan 8.190 nan 0.000 0.447 108 K N -0.696 119.477 120.400 -0.378 0.000 2.063 108 K HA -0.198 4.122 4.320 0.001 0.000 0.208 108 K C 2.189 178.550 176.600 -0.398 0.000 1.048 108 K CA 1.654 57.746 56.287 -0.325 0.000 0.928 108 K CB -0.125 32.211 32.500 -0.274 0.000 0.713 108 K HN 0.259 nan 8.250 nan 0.000 0.442 109 M N 0.525 119.788 119.600 -0.561 0.000 2.254 109 M HA -0.096 4.384 4.480 0.001 0.000 0.265 109 M C 2.216 178.248 176.300 -0.448 0.000 1.066 109 M CA 0.898 55.770 55.300 -0.714 0.000 1.123 109 M CB -0.402 31.344 32.600 -1.424 0.000 1.388 109 M HN 0.019 nan 8.290 nan 0.000 0.425 110 V N 0.098 119.837 119.914 -0.291 0.000 2.358 110 V HA -0.233 3.887 4.120 0.001 0.000 0.246 110 V C 2.270 178.268 176.094 -0.160 0.000 1.047 110 V CA 1.724 63.931 62.300 -0.156 0.000 1.035 110 V CB -0.686 31.069 31.823 -0.115 0.000 0.658 110 V HN 0.449 nan 8.190 nan 0.000 0.452 111 E N -0.251 119.835 120.200 -0.190 0.000 2.070 111 E HA -0.269 4.081 4.350 0.001 0.000 0.197 111 E C 2.156 178.657 176.600 -0.165 0.000 1.004 111 E CA 1.776 58.080 56.400 -0.159 0.000 0.805 111 E CB -0.162 29.437 29.700 -0.167 0.000 0.744 111 E HN 0.524 nan 8.360 nan 0.000 0.451 112 M N -1.353 118.111 119.600 -0.228 0.000 2.557 112 M HA 0.048 4.528 4.480 0.001 0.000 0.259 112 M C 1.241 177.415 176.300 -0.210 0.000 1.086 112 M CA 0.877 56.029 55.300 -0.247 0.000 1.096 112 M CB 0.542 32.913 32.600 -0.383 0.000 1.424 112 M HN 0.338 nan 8.290 nan 0.000 0.488 113 G N 0.682 109.377 108.800 -0.175 0.000 2.147 113 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 113 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 113 G C 0.858 175.693 174.900 -0.107 0.000 1.005 113 G CA 0.257 45.290 45.100 -0.112 0.000 0.713 113 G HN 0.338 nan 8.290 nan 0.000 0.515 114 K N -1.234 119.054 120.400 -0.188 0.000 2.242 114 K HA 0.202 4.523 4.320 0.001 0.000 0.200 114 K C 0.552 177.185 176.600 0.054 0.000 1.050 114 K CA 0.590 56.784 56.287 -0.155 0.000 0.981 114 K CB 0.303 32.574 32.500 -0.382 0.000 0.795 114 K HN 0.422 nan 8.250 nan 0.000 0.477 115 Y N 1.318 121.552 120.300 -0.110 0.000 2.496 115 Y HA 0.219 4.770 4.550 0.001 0.000 0.331 115 Y C 0.468 176.337 175.900 -0.052 0.000 1.140 115 Y CA -2.351 55.703 58.100 -0.075 0.000 1.166 115 Y CB 0.506 38.884 38.460 -0.136 0.000 1.249 115 Y HN -0.066 nan 8.280 nan 0.000 0.479 116 D N 1.225 121.710 120.400 0.142 0.000 2.351 116 D HA -0.027 4.614 4.640 0.001 0.000 0.251 116 D C 0.505 176.819 176.300 0.024 0.000 1.137 116 D CA -0.004 54.055 54.000 0.098 0.000 0.879 116 D CB 0.786 41.703 40.800 0.195 0.000 1.181 116 D HN 0.666 nan 8.370 nan 0.000 0.448 117 N N 2.428 121.162 118.700 0.057 0.000 2.520 117 N HA -0.240 4.500 4.740 0.001 0.000 0.185 117 N C 1.473 177.036 175.510 0.088 0.000 1.068 117 N CA 1.198 54.277 53.050 0.048 0.000 0.911 117 N CB -0.667 37.846 38.487 0.043 0.000 0.961 117 N HN 0.618 nan 8.380 nan 0.000 0.446 118 H N 0.005 119.147 119.070 0.120 0.000 2.457 118 H HA 0.034 4.590 4.556 0.001 0.000 0.297 118 H C 1.657 177.107 175.328 0.202 0.000 1.092 118 H CA 0.992 57.125 56.048 0.141 0.000 1.309 118 H CB -0.557 29.292 29.762 0.145 0.000 1.382 118 H HN 0.200 nan 8.280 nan 0.000 0.535 119 L N -0.067 120.999 121.223 -0.261 0.000 2.042 119 L HA -0.146 4.195 4.340 0.001 0.000 0.210 119 L C 2.399 179.514 176.870 0.407 0.000 1.076 119 L CA 1.242 56.120 54.840 0.063 0.000 0.749 119 L CB -0.303 41.761 42.059 0.009 0.000 0.893 119 L HN 0.345 nan 8.230 nan 0.000 0.432 120 L N -1.080 120.300 121.223 0.263 0.000 2.240 120 L HA -0.119 4.221 4.340 0.001 0.000 0.211 120 L C 2.372 179.407 176.870 0.274 0.000 1.106 120 L CA 0.765 55.797 54.840 0.319 0.000 0.793 120 L CB -0.328 41.815 42.059 0.139 0.000 0.927 120 L HN 0.281 nan 8.230 nan 0.000 0.446 121 E N 0.063 120.386 120.200 0.204 0.000 2.072 121 E HA -0.168 4.183 4.350 0.001 0.000 0.190 121 E C 1.379 178.049 176.600 0.117 0.000 0.982 121 E CA 1.094 57.584 56.400 0.150 0.000 0.803 121 E CB 0.057 29.839 29.700 0.137 0.000 0.755 121 E HN 0.437 nan 8.360 nan 0.000 0.453 122 D N -0.707 119.770 120.400 0.130 0.000 2.249 122 D HA -0.020 4.621 4.640 0.001 0.000 0.205 122 D C -0.184 175.914 176.300 -0.338 0.000 0.962 122 D CA 0.944 54.900 54.000 -0.074 0.000 0.860 122 D CB 0.169 40.949 40.800 -0.033 0.000 0.955 122 D HN 0.125 nan 8.370 nan 0.000 0.505 123 Y N -0.170 120.133 120.300 0.006 0.000 2.462 123 Y HA 0.298 4.848 4.550 0.001 0.000 0.346 123 Y C 0.782 176.671 175.900 -0.017 0.000 0.976 123 Y CA -1.202 56.788 58.100 -0.183 0.000 1.044 123 Y CB 1.593 39.607 38.460 -0.744 0.000 1.230 123 Y HN -0.304 nan 8.280 nan 0.000 0.455 124 T N -2.423 112.192 114.554 0.102 0.000 2.874 124 T HA 0.150 4.500 4.350 0.001 0.000 0.281 124 T C 1.081 175.893 174.700 0.188 0.000 0.994 124 T CA -0.549 61.631 62.100 0.134 0.000 1.015 124 T CB 1.386 70.279 68.868 0.042 0.000 1.028 124 T HN 0.876 nan 8.240 nan 0.000 0.523 125 E N 0.486 120.726 120.200 0.066 0.000 2.097 125 E HA -0.262 4.089 4.350 0.001 0.000 0.196 125 E C 1.682 178.215 176.600 -0.112 0.000 1.000 125 E CA 1.813 58.056 56.400 -0.262 0.000 0.804 125 E CB -0.113 29.131 29.700 -0.760 0.000 0.740 125 E HN 0.826 nan 8.360 nan 0.000 0.454 126 E N 0.504 120.655 120.200 -0.081 0.000 2.150 126 E HA -0.165 4.186 4.350 0.001 0.000 0.193 126 E C 1.902 178.472 176.600 -0.050 0.000 0.985 126 E CA 1.299 57.661 56.400 -0.063 0.000 0.814 126 E CB -0.031 29.638 29.700 -0.051 0.000 0.752 126 E HN 0.378 nan 8.360 nan 0.000 0.466 127 E N -0.272 119.902 120.200 -0.043 0.000 2.107 127 E HA -0.113 4.237 4.350 0.001 0.000 0.191 127 E C 1.543 178.032 176.600 -0.185 0.000 0.982 127 E CA 0.646 56.991 56.400 -0.092 0.000 0.809 127 E CB -0.122 29.562 29.700 -0.025 0.000 0.756 127 E HN 0.212 nan 8.360 nan 0.000 0.459 128 F N 1.614 121.546 119.950 -0.031 0.000 2.171 128 F HA -0.133 4.395 4.527 0.001 0.000 0.300 128 F C 2.153 177.890 175.800 -0.105 0.000 1.090 128 F CA 1.116 59.082 58.000 -0.056 0.000 1.293 128 F CB -0.161 38.900 39.000 0.102 0.000 1.013 128 F HN -0.129 nan 8.300 nan 0.000 0.486 129 K N -0.206 120.230 120.400 0.061 0.000 2.057 129 K HA -0.250 4.071 4.320 0.001 0.000 0.207 129 K C 2.147 178.656 176.600 -0.152 0.000 1.049 129 K CA 1.601 57.867 56.287 -0.034 0.000 0.931 129 K CB -0.351 32.118 32.500 -0.052 0.000 0.714 129 K HN 0.330 nan 8.250 nan 0.000 0.440 130 Q N 0.489 120.157 119.800 -0.220 0.000 2.079 130 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 130 Q C 2.125 177.573 176.000 -0.921 0.000 0.974 130 Q CA 1.254 56.812 55.803 -0.408 0.000 0.840 130 Q CB 0.091 28.667 28.738 -0.270 0.000 0.898 130 Q HN 0.298 nan 8.270 nan 0.000 0.430 131 M N 0.218 119.375 119.600 -0.739 0.000 2.159 131 M HA -0.187 4.294 4.480 0.001 0.000 0.263 131 M C 1.566 177.538 176.300 -0.547 0.000 1.063 131 M CA 1.300 56.120 55.300 -0.799 0.000 1.110 131 M CB -0.165 32.252 32.600 -0.305 0.000 1.374 131 M HN 0.144 nan 8.290 nan 0.000 0.411 132 D N -0.065 120.160 120.400 -0.290 0.000 2.218 132 D HA -0.133 4.507 4.640 0.001 0.000 0.204 132 D C 1.936 178.131 176.300 -0.175 0.000 0.976 132 D CA 1.793 55.713 54.000 -0.134 0.000 0.853 132 D CB 0.012 40.806 40.800 -0.011 0.000 0.939 132 D HN 0.433 nan 8.370 nan 0.000 0.481 133 T N -2.424 111.960 114.554 -0.283 0.000 2.995 133 T HA -0.098 4.252 4.350 0.001 0.000 0.269 133 T C 1.810 176.494 174.700 -0.027 0.000 1.091 133 T CA 0.445 62.449 62.100 -0.160 0.000 1.128 133 T CB -0.538 68.240 68.868 -0.150 0.000 0.891 133 T HN -0.037 nan 8.240 nan 0.000 0.492 134 F N 1.800 121.691 119.950 -0.098 0.000 2.259 134 F HA 0.394 4.921 4.527 0.001 0.000 0.298 134 F C 1.325 177.039 175.800 -0.144 0.000 1.088 134 F CA -1.408 56.528 58.000 -0.108 0.000 1.358 134 F CB -1.004 37.899 39.000 -0.162 0.000 1.040 134 F HN 0.182 nan 8.300 nan 0.000 0.505 135 I N 1.629 122.115 120.570 -0.140 0.000 2.683 135 I HA -0.057 4.114 4.170 0.001 0.000 0.286 135 I C -0.014 176.058 176.117 -0.074 0.000 1.175 135 I CA 0.310 61.450 61.300 -0.267 0.000 1.429 135 I CB 0.147 37.892 38.000 -0.425 0.000 1.371 135 I HN -0.079 nan 8.210 nan 0.000 0.569 136 D N 5.735 126.181 120.400 0.077 0.000 2.461 136 D HA 0.159 4.799 4.640 0.001 0.000 0.240 136 D C 0.902 177.222 176.300 0.033 0.000 1.094 136 D CA -0.351 53.677 54.000 0.045 0.000 0.868 136 D CB 0.573 41.422 40.800 0.083 0.000 1.062 136 D HN 0.377 nan 8.370 nan 0.000 0.530 137 H N 1.957 121.066 119.070 0.066 0.000 2.491 137 H HA -0.056 4.501 4.556 0.001 0.000 0.290 137 H C 0.459 175.846 175.328 0.098 0.000 1.050 137 H CA 0.808 56.870 56.048 0.024 0.000 1.309 137 H CB 0.430 30.130 29.762 -0.104 0.000 1.392 137 H HN 0.478 nan 8.280 nan 0.000 0.554 138 D N 0.251 120.791 120.400 0.233 0.000 2.378 138 D HA -0.061 4.580 4.640 0.001 0.000 0.222 138 D C 1.925 178.330 176.300 0.175 0.000 0.980 138 D CA 0.313 54.457 54.000 0.239 0.000 0.907 138 D CB -0.059 40.861 40.800 0.201 0.000 0.899 138 D HN 0.352 nan 8.370 nan 0.000 0.527 139 R N 0.405 120.978 120.500 0.122 0.000 2.280 139 R HA -0.046 4.294 4.340 0.001 0.000 0.207 139 R C 0.834 177.182 176.300 0.080 0.000 1.043 139 R CA 0.486 56.596 56.100 0.016 0.000 1.006 139 R CB 0.056 30.293 30.300 -0.104 0.000 0.885 139 R HN 0.126 nan 8.270 nan 0.000 0.467 140 D N 0.695 121.270 120.400 0.292 0.000 2.263 140 D HA -0.130 4.511 4.640 0.001 0.000 0.208 140 D C 1.301 177.897 176.300 0.494 0.000 0.971 140 D CA 1.128 55.442 54.000 0.524 0.000 0.867 140 D CB 0.082 41.148 40.800 0.444 0.000 0.929 140 D HN 0.031 nan 8.370 nan 0.000 0.492 141 M N -0.255 119.540 119.600 0.326 0.000 2.659 141 M HA -0.004 4.476 4.480 0.001 0.000 0.243 141 M C 1.613 178.038 176.300 0.208 0.000 1.111 141 M CA 0.684 56.138 55.300 0.256 0.000 1.070 141 M CB -0.462 32.237 32.600 0.165 0.000 1.525 141 M HN 0.003 nan 8.290 nan 0.000 0.517 142 T N -3.329 111.319 114.554 0.156 0.000 3.086 142 T HA 0.190 4.541 4.350 0.001 0.000 0.250 142 T C 0.380 175.278 174.700 0.330 0.000 1.074 142 T CA -0.288 61.903 62.100 0.152 0.000 0.988 142 T CB -0.383 68.507 68.868 0.038 0.000 0.988 142 T HN -0.008 nan 8.240 nan 0.000 0.530 143 F N 3.764 123.977 119.950 0.439 0.000 2.429 143 F HA 0.469 4.996 4.527 0.001 0.000 0.348 143 F C 1.386 177.264 175.800 0.130 0.000 1.109 143 F CA -0.928 57.240 58.000 0.280 0.000 1.232 143 F CB 0.754 39.880 39.000 0.211 0.000 1.157 143 F HN 0.167 nan 8.300 nan 0.000 0.564 144 S N 2.585 118.310 115.700 0.041 0.000 2.655 144 S HA 0.107 4.577 4.470 0.001 0.000 0.265 144 S C 0.804 175.359 174.600 -0.076 0.000 1.240 144 S CA -0.517 57.438 58.200 -0.407 0.000 0.986 144 S CB 0.412 63.321 63.200 -0.486 0.000 0.985 144 S HN 0.647 nan 8.310 nan 0.000 0.562 145 Y N 1.358 121.538 120.300 -0.200 0.000 2.145 145 Y HA -0.012 4.538 4.550 0.001 0.000 0.286 145 Y C 2.613 178.469 175.900 -0.074 0.000 1.145 145 Y CA 1.767 59.816 58.100 -0.085 0.000 1.148 145 Y CB -1.202 37.220 38.460 -0.064 0.000 0.981 145 Y HN 0.819 nan 8.280 nan 0.000 0.507 146 A N 0.457 123.192 122.820 -0.142 0.000 1.940 146 A HA -0.184 4.137 4.320 0.001 0.000 0.219 146 A C 2.455 179.909 177.584 -0.218 0.000 1.176 146 A CA 2.145 54.062 52.037 -0.200 0.000 0.631 146 A CB -1.507 17.433 19.000 -0.099 0.000 0.814 146 A HN 0.603 nan 8.150 nan 0.000 0.446 147 A N -0.567 122.155 122.820 -0.162 0.000 1.858 147 A HA -0.024 4.296 4.320 0.001 0.000 0.216 147 A C 2.240 179.655 177.584 -0.282 0.000 1.190 147 A CA 1.885 53.825 52.037 -0.161 0.000 0.617 147 A CB -1.049 17.968 19.000 0.028 0.000 0.827 147 A HN 0.448 nan 8.150 nan 0.000 0.443 148 V N -0.017 119.745 119.914 -0.254 0.000 2.343 148 V HA -0.264 3.857 4.120 0.001 0.000 0.247 148 V C 2.534 178.456 176.094 -0.286 0.000 1.051 148 V CA 2.449 64.581 62.300 -0.280 0.000 1.036 148 V CB -0.718 31.039 31.823 -0.110 0.000 0.654 148 V HN 0.460 nan 8.190 nan 0.000 0.451 149 K N -0.066 120.116 120.400 -0.363 0.000 2.074 149 K HA -0.179 4.141 4.320 0.001 0.000 0.209 149 K C 2.311 178.775 176.600 -0.228 0.000 1.048 149 K CA 1.428 57.523 56.287 -0.319 0.000 0.926 149 K CB -0.427 31.826 32.500 -0.413 0.000 0.713 149 K HN 0.417 nan 8.250 nan 0.000 0.444 150 Q N 0.051 119.699 119.800 -0.253 0.000 2.084 150 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 150 Q C 2.275 178.102 176.000 -0.289 0.000 0.978 150 Q CA 1.307 56.960 55.803 -0.251 0.000 0.844 150 Q CB -0.302 28.256 28.738 -0.301 0.000 0.898 150 Q HN 0.334 nan 8.270 nan 0.000 0.426 151 L N 0.630 121.637 121.223 -0.360 0.000 2.017 151 L HA -0.209 4.131 4.340 0.001 0.000 0.208 151 L C 2.560 179.368 176.870 -0.104 0.000 1.073 151 L CA 1.455 56.127 54.840 -0.280 0.000 0.745 151 L CB -0.443 41.395 42.059 -0.370 0.000 0.894 151 L HN 0.297 nan 8.230 nan 0.000 0.432 152 E N -0.080 120.045 120.200 -0.126 0.000 2.110 152 E HA -0.190 4.161 4.350 0.001 0.000 0.193 152 E C 2.081 178.657 176.600 -0.039 0.000 0.988 152 E CA 1.234 57.590 56.400 -0.073 0.000 0.804 152 E CB -0.077 29.577 29.700 -0.077 0.000 0.745 152 E HN 0.484 nan 8.360 nan 0.000 0.458 153 G N -0.160 108.614 108.800 -0.043 0.000 2.545 153 G HA2 -0.063 3.898 3.960 0.001 0.000 0.212 153 G HA3 -0.063 3.898 3.960 0.001 0.000 0.212 153 G C 1.365 176.286 174.900 0.034 0.000 1.144 153 G CA 0.232 45.325 45.100 -0.012 0.000 0.813 153 G HN 0.099 nan 8.290 nan 0.000 0.531 154 K N -1.616 118.828 120.400 0.073 0.000 2.462 154 K HA 0.266 4.587 4.320 0.001 0.000 0.201 154 K C 1.627 178.400 176.600 0.289 0.000 1.268 154 K CA -0.168 56.221 56.287 0.170 0.000 0.933 154 K CB 0.309 32.930 32.500 0.201 0.000 1.162 154 K HN 0.139 nan 8.250 nan 0.000 0.527 155 Y N 1.593 121.895 120.300 0.003 0.000 2.239 155 Y HA 0.201 4.752 4.550 0.001 0.000 0.293 155 Y C 0.933 176.852 175.900 0.031 0.000 1.126 155 Y CA -0.173 57.935 58.100 0.013 0.000 1.128 155 Y CB -0.135 38.308 38.460 -0.028 0.000 1.066 155 Y HN -0.180 nan 8.280 nan 0.000 0.516 156 L N 1.172 122.506 121.223 0.185 0.000 2.499 156 L HA 0.046 4.387 4.340 0.001 0.000 0.273 156 L C -0.097 176.856 176.870 0.138 0.000 1.195 156 L CA -0.384 54.537 54.840 0.134 0.000 0.882 156 L CB 0.232 42.331 42.059 0.066 0.000 1.133 156 L HN -0.199 nan 8.230 nan 0.000 0.483 157 V N 4.345 124.379 119.914 0.200 0.000 2.540 157 V HA 0.010 4.130 4.120 0.001 0.000 0.297 157 V C 0.386 176.606 176.094 0.210 0.000 1.024 157 V CA 0.284 62.723 62.300 0.232 0.000 1.105 157 V CB 0.425 32.439 31.823 0.318 0.000 0.938 157 V HN 0.946 nan 8.190 nan 0.000 0.482 158 Q N 3.726 123.631 119.800 0.174 0.000 2.685 158 Q HA 0.453 4.793 4.340 0.001 0.000 0.301 158 Q C -1.133 174.908 176.000 0.068 0.000 0.924 158 Q CA -1.053 54.736 55.803 -0.023 0.000 0.755 158 Q CB 1.751 30.436 28.738 -0.090 0.000 1.470 158 Q HN 0.475 nan 8.270 nan 0.000 0.434 159 N N 0.462 119.111 118.700 -0.084 0.000 2.437 159 N HA 0.203 4.943 4.740 0.001 0.000 0.259 159 N C 0.331 175.833 175.510 -0.014 0.000 0.983 159 N CA -0.179 52.894 53.050 0.038 0.000 0.937 159 N CB 1.044 39.577 38.487 0.077 0.000 1.122 159 N HN 0.587 nan 8.380 nan 0.000 0.499 160 R N 2.252 122.762 120.500 0.017 0.000 2.096 160 R HA -0.062 4.278 4.340 0.001 0.000 0.235 160 R C 1.403 177.704 176.300 0.001 0.000 1.127 160 R CA 1.103 57.207 56.100 0.007 0.000 0.968 160 R CB -0.410 29.901 30.300 0.019 0.000 0.861 160 R HN 0.418 nan 8.270 nan 0.000 0.440 161 V N 0.542 120.460 119.914 0.008 0.000 2.283 161 V HA -0.167 3.954 4.120 0.001 0.000 0.243 161 V C 2.449 178.541 176.094 -0.003 0.000 1.039 161 V CA 2.269 64.572 62.300 0.005 0.000 1.016 161 V CB -0.775 31.055 31.823 0.012 0.000 0.650 161 V HN 0.480 nan 8.190 nan 0.000 0.449 162 T N -2.601 111.948 114.554 -0.008 0.000 3.081 162 T HA 0.252 4.603 4.350 0.001 0.000 0.255 162 T C 1.630 176.302 174.700 -0.047 0.000 1.113 162 T CA 1.002 63.090 62.100 -0.020 0.000 1.082 162 T CB 0.475 69.336 68.868 -0.012 0.000 0.939 162 T HN 0.989 nan 8.240 nan 0.000 0.506 163 G N 1.225 109.989 108.800 -0.061 0.000 2.184 163 G HA2 -0.264 3.696 3.960 0.001 0.000 0.264 163 G HA3 -0.264 3.696 3.960 0.001 0.000 0.264 163 G C -0.171 174.636 174.900 -0.155 0.000 0.975 163 G CA 0.167 45.219 45.100 -0.081 0.000 0.642 163 G HN 0.663 nan 8.290 nan 0.000 0.536 164 E N -0.053 120.009 120.200 -0.229 0.000 2.376 164 E HA 0.420 4.770 4.350 0.001 0.000 0.266 164 E C 0.434 176.643 176.600 -0.651 0.000 1.009 164 E CA -0.011 56.142 56.400 -0.413 0.000 0.902 164 E CB 0.717 30.144 29.700 -0.455 0.000 0.972 164 E HN 0.424 nan 8.360 nan 0.000 0.439 165 I N 3.549 123.797 120.570 -0.537 0.000 2.359 165 I HA 0.073 4.244 4.170 0.001 0.000 0.294 165 I C -0.172 175.669 176.117 -0.459 0.000 0.987 165 I CA -0.309 60.714 61.300 -0.462 0.000 1.225 165 I CB 0.732 38.576 38.000 -0.261 0.000 1.366 165 I HN 0.643 nan 8.210 nan 0.000 0.466 166 Y N 3.297 123.557 120.300 -0.067 0.000 2.462 166 Y HA 0.173 4.723 4.550 0.001 0.000 0.253 166 Y C 0.656 176.616 175.900 0.100 0.000 1.095 166 Y CA -0.504 57.575 58.100 -0.036 0.000 1.283 166 Y CB 0.328 38.755 38.460 -0.055 0.000 1.138 166 Y HN 0.520 nan 8.280 nan 0.000 0.522 167 E N -0.621 119.720 120.200 0.236 0.000 2.423 167 E HA 0.675 5.026 4.350 0.001 0.000 0.269 167 E C -0.802 175.896 176.600 0.163 0.000 0.948 167 E CA -1.088 55.542 56.400 0.383 0.000 0.802 167 E CB 1.990 32.031 29.700 0.568 0.000 1.339 167 E HN -0.062 nan 8.360 nan 0.000 0.445 168 S N -0.601 115.264 115.700 0.274 0.000 2.726 168 S HA 0.648 5.118 4.470 0.001 0.000 0.308 168 S C 0.882 175.571 174.600 0.148 0.000 1.115 168 S CA -0.372 57.899 58.200 0.119 0.000 0.965 168 S CB 1.365 64.611 63.200 0.076 0.000 1.145 168 S HN 0.767 nan 8.310 nan 0.000 0.532 169 A N 0.436 123.322 122.820 0.111 0.000 1.933 169 A HA -0.085 4.235 4.320 0.001 0.000 0.218 169 A C 2.095 179.790 177.584 0.184 0.000 1.175 169 A CA 1.273 53.364 52.037 0.090 0.000 0.628 169 A CB -0.852 18.244 19.000 0.160 0.000 0.814 169 A HN 0.715 nan 8.150 nan 0.000 0.444 170 Q N -1.256 118.728 119.800 0.307 0.000 2.230 170 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 170 Q C 1.689 177.920 176.000 0.384 0.000 0.963 170 Q CA 0.862 56.908 55.803 0.405 0.000 0.866 170 Q CB -0.494 28.374 28.738 0.217 0.000 0.931 170 Q HN 0.686 nan 8.270 nan 0.000 0.452 171 F N 0.784 120.892 119.950 0.263 0.000 2.206 171 F HA -0.076 4.451 4.527 0.001 0.000 0.298 171 F C 2.229 178.149 175.800 0.199 0.000 1.090 171 F CA 0.091 58.214 58.000 0.206 0.000 1.323 171 F CB -1.074 38.027 39.000 0.167 0.000 1.028 171 F HN 0.058 nan 8.300 nan 0.000 0.492 172 L N -1.070 120.363 121.223 0.351 0.000 1.989 172 L HA -0.315 4.026 4.340 0.001 0.000 0.211 172 L C 2.466 179.464 176.870 0.214 0.000 1.071 172 L CA 1.781 56.729 54.840 0.181 0.000 0.749 172 L CB -0.646 41.424 42.059 0.018 0.000 0.890 172 L HN 0.023 nan 8.230 nan 0.000 0.431 173 Y N -0.497 120.012 120.300 0.348 0.000 2.145 173 Y HA -0.267 4.284 4.550 0.001 0.000 0.286 173 Y C 2.347 178.504 175.900 0.429 0.000 1.145 173 Y CA 1.619 59.943 58.100 0.373 0.000 1.148 173 Y CB -0.620 38.072 38.460 0.386 0.000 0.981 173 Y HN 0.213 nan 8.280 nan 0.000 0.507 174 I N -0.429 120.470 120.570 0.548 0.000 2.286 174 I HA -0.259 3.912 4.170 0.001 0.000 0.248 174 I C 1.953 178.191 176.117 0.202 0.000 1.115 174 I CA 1.490 62.953 61.300 0.271 0.000 1.392 174 I CB -0.373 37.635 38.000 0.013 0.000 1.065 174 I HN 0.128 nan 8.210 nan 0.000 0.418 175 L N -1.531 119.794 121.223 0.170 0.000 2.209 175 L HA -0.083 4.258 4.340 0.001 0.000 0.207 175 L C 2.415 179.313 176.870 0.046 0.000 1.094 175 L CA 0.316 55.179 54.840 0.039 0.000 0.790 175 L CB -0.516 41.475 42.059 -0.114 0.000 0.932 175 L HN 0.026 nan 8.230 nan 0.000 0.447 176 V N 0.474 120.461 119.914 0.122 0.000 2.255 176 V HA -0.347 3.773 4.120 0.001 0.000 0.247 176 V C 2.825 178.989 176.094 0.116 0.000 1.051 176 V CA 2.018 64.382 62.300 0.107 0.000 1.018 176 V CB -0.960 30.989 31.823 0.211 0.000 0.641 176 V HN 0.492 nan 8.190 nan 0.000 0.445 177 A N 0.027 123.033 122.820 0.309 0.000 1.892 177 A HA -0.211 4.109 4.320 0.001 0.000 0.218 177 A C 2.442 180.155 177.584 0.215 0.000 1.188 177 A CA 2.544 54.797 52.037 0.359 0.000 0.631 177 A CB -0.991 18.341 19.000 0.553 0.000 0.822 177 A HN 0.623 nan 8.150 nan 0.000 0.447 178 A N -1.185 121.707 122.820 0.120 0.000 1.908 178 A HA -0.182 4.139 4.320 0.001 0.000 0.218 178 A C 2.336 180.022 177.584 0.170 0.000 1.181 178 A CA 1.797 53.851 52.037 0.029 0.000 0.627 178 A CB -1.255 17.591 19.000 -0.256 0.000 0.818 178 A HN 0.628 nan 8.150 nan 0.000 0.445 179 C N -0.926 118.415 119.300 0.069 0.000 2.453 179 C HA 0.019 4.479 4.460 0.001 0.000 0.277 179 C C 2.620 177.473 174.990 -0.229 0.000 1.262 179 C CA 0.916 59.955 59.018 0.035 0.000 1.718 179 C CB -1.430 26.278 27.740 -0.054 0.000 2.031 179 C HN 0.623 nan 8.230 nan 0.000 0.480 180 L N -0.882 120.122 121.223 -0.364 0.000 2.141 180 L HA -0.059 4.281 4.340 0.001 0.000 0.209 180 L C 1.574 178.055 176.870 -0.648 0.000 1.094 180 L CA 1.504 55.966 54.840 -0.629 0.000 0.763 180 L CB -0.432 41.149 42.059 -0.796 0.000 0.908 180 L HN 0.295 nan 8.230 nan 0.000 0.437 181 F N -0.856 118.936 119.950 -0.264 0.000 2.641 181 F HA 0.037 4.564 4.527 0.001 0.000 0.302 181 F C 2.327 178.132 175.800 0.008 0.000 1.098 181 F CA 0.124 57.960 58.000 -0.275 0.000 1.318 181 F CB -0.147 38.611 39.000 -0.404 0.000 1.035 181 F HN 0.037 nan 8.300 nan 0.000 0.551 182 S N -0.631 115.175 115.700 0.176 0.000 2.419 182 S HA -0.202 4.268 4.470 0.001 0.000 0.233 182 S C 1.334 175.970 174.600 0.059 0.000 1.016 182 S CA 1.301 59.594 58.200 0.154 0.000 0.974 182 S CB -0.650 62.679 63.200 0.214 0.000 0.786 182 S HN 0.526 nan 8.310 nan 0.000 0.492 183 N N -0.241 118.528 118.700 0.115 0.000 2.383 183 N HA 0.180 4.920 4.740 0.001 0.000 0.192 183 N C -0.801 174.765 175.510 0.094 0.000 1.141 183 N CA -0.169 52.922 53.050 0.068 0.000 0.851 183 N CB 0.064 38.564 38.487 0.022 0.000 0.976 183 N HN 0.322 nan 8.380 nan 0.000 0.465 184 Y N 1.993 122.293 120.300 0.000 0.000 2.336 184 Y HA 0.162 4.712 4.550 0.001 0.000 0.331 184 Y C -1.693 174.221 175.900 0.024 0.000 1.211 184 Y CA -2.411 55.707 58.100 0.030 0.000 1.346 184 Y CB 0.222 38.747 38.460 0.108 0.000 1.271 184 Y HN 0.037 nan 8.280 nan 0.000 0.538 185 P HA 0.047 nan 4.420 nan 0.000 0.269 185 P C 0.126 177.487 177.300 0.102 0.000 1.215 185 P CA -0.186 62.949 63.100 0.059 0.000 0.780 185 P CB 0.866 32.580 31.700 0.024 0.000 0.898 186 R N 1.894 122.427 120.500 0.055 0.000 2.193 186 R HA -0.116 4.225 4.340 0.001 0.000 0.229 186 R C 1.747 178.085 176.300 0.064 0.000 1.110 186 R CA 1.222 57.354 56.100 0.053 0.000 0.988 186 R CB -0.595 29.718 30.300 0.022 0.000 0.871 186 R HN 0.626 nan 8.270 nan 0.000 0.458 187 E N 0.415 120.650 120.200 0.060 0.000 2.208 187 E HA -0.102 4.248 4.350 0.001 0.000 0.193 187 E C 1.282 177.915 176.600 0.056 0.000 0.988 187 E CA 1.643 58.071 56.400 0.047 0.000 0.828 187 E CB -0.225 29.494 29.700 0.032 0.000 0.763 187 E HN 0.426 nan 8.360 nan 0.000 0.478 188 T N -2.401 112.226 114.554 0.123 0.000 2.959 188 T HA 0.213 4.564 4.350 0.001 0.000 0.254 188 T C 1.794 176.624 174.700 0.217 0.000 1.003 188 T CA 0.072 62.261 62.100 0.148 0.000 0.950 188 T CB 0.333 69.409 68.868 0.348 0.000 1.090 188 T HN 0.004 nan 8.240 nan 0.000 0.503 189 R N 1.779 122.431 120.500 0.253 0.000 2.171 189 R HA 0.015 4.355 4.340 0.001 0.000 0.232 189 R C 2.106 178.497 176.300 0.151 0.000 1.116 189 R CA 2.015 58.266 56.100 0.252 0.000 0.901 189 R CB -1.156 29.275 30.300 0.218 0.000 0.850 189 R HN 0.446 nan 8.270 nan 0.000 0.431 190 L N 0.491 121.802 121.223 0.147 0.000 2.362 190 L HA -0.086 4.255 4.340 0.001 0.000 0.219 190 L C 2.692 179.536 176.870 -0.042 0.000 1.134 190 L CA 1.083 56.022 54.840 0.166 0.000 0.807 190 L CB -0.488 41.747 42.059 0.294 0.000 0.927 190 L HN 0.519 nan 8.230 nan 0.000 0.447 191 Q N -0.292 119.432 119.800 -0.125 0.000 2.083 191 Q HA -0.210 4.130 4.340 0.001 0.000 0.198 191 Q C 2.179 177.927 176.000 -0.419 0.000 0.969 191 Q CA 1.636 57.256 55.803 -0.305 0.000 0.838 191 Q CB -0.083 28.470 28.738 -0.308 0.000 0.900 191 Q HN 0.396 nan 8.270 nan 0.000 0.436 192 Y N -0.144 119.921 120.300 -0.391 0.000 2.163 192 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 192 Y C 2.357 177.806 175.900 -0.752 0.000 1.136 192 Y CA 1.144 58.804 58.100 -0.733 0.000 1.147 192 Y CB -0.449 37.291 38.460 -1.201 0.000 0.987 192 Y HN -0.036 nan 8.280 nan 0.000 0.509 193 V N 0.518 120.239 119.914 -0.321 0.000 2.282 193 V HA -0.371 3.749 4.120 0.001 0.000 0.249 193 V C 2.437 178.500 176.094 -0.051 0.000 1.057 193 V CA 2.357 64.609 62.300 -0.081 0.000 1.032 193 V CB -0.617 31.258 31.823 0.087 0.000 0.645 193 V HN 0.356 nan 8.190 nan 0.000 0.447 194 K N -0.098 120.099 120.400 -0.338 0.000 2.026 194 K HA -0.190 4.131 4.320 0.001 0.000 0.208 194 K C 2.393 178.857 176.600 -0.228 0.000 1.048 194 K CA 1.597 57.548 56.287 -0.559 0.000 0.929 194 K CB -0.124 31.580 32.500 -1.328 0.000 0.713 194 K HN 0.370 nan 8.250 nan 0.000 0.439 195 R N -0.680 119.672 120.500 -0.247 0.000 2.090 195 R HA -0.092 4.248 4.340 0.001 0.000 0.228 195 R C 2.292 178.547 176.300 -0.074 0.000 1.110 195 R CA 1.261 57.255 56.100 -0.175 0.000 0.973 195 R CB -0.322 29.853 30.300 -0.208 0.000 0.869 195 R HN 0.218 nan 8.270 nan 0.000 0.440 196 F N 0.602 120.463 119.950 -0.148 0.000 2.113 196 F HA -0.243 4.285 4.527 0.001 0.000 0.297 196 F C 2.254 178.052 175.800 -0.004 0.000 1.103 196 F CA 1.252 59.235 58.000 -0.029 0.000 1.248 196 F CB -0.500 38.555 39.000 0.091 0.000 0.999 196 F HN -0.035 nan 8.300 nan 0.000 0.475 197 Y N 1.403 121.724 120.300 0.034 0.000 2.114 197 Y HA -0.311 4.240 4.550 0.001 0.000 0.282 197 Y C 2.188 177.960 175.900 -0.214 0.000 1.165 197 Y CA 2.304 60.381 58.100 -0.039 0.000 1.148 197 Y CB -0.962 37.535 38.460 0.062 0.000 0.972 197 Y HN 0.085 nan 8.280 nan 0.000 0.504 198 D N 0.168 120.335 120.400 -0.389 0.000 2.117 198 D HA -0.172 4.468 4.640 0.001 0.000 0.197 198 D C 2.331 178.324 176.300 -0.511 0.000 0.987 198 D CA 1.572 55.278 54.000 -0.491 0.000 0.829 198 D CB -0.652 39.997 40.800 -0.251 0.000 0.961 198 D HN 0.512 nan 8.370 nan 0.000 0.460 199 A N 0.634 123.198 122.820 -0.428 0.000 1.877 199 A HA -0.151 4.170 4.320 0.001 0.000 0.216 199 A C 2.480 179.766 177.584 -0.497 0.000 1.186 199 A CA 2.322 54.121 52.037 -0.396 0.000 0.620 199 A CB -0.792 18.014 19.000 -0.324 0.000 0.822 199 A HN 0.232 nan 8.150 nan 0.000 0.443 200 V N -1.449 118.055 119.914 -0.683 0.000 2.407 200 V HA -0.114 4.007 4.120 0.001 0.000 0.245 200 V C 2.424 177.903 176.094 -1.024 0.000 1.041 200 V CA 2.128 64.015 62.300 -0.688 0.000 1.040 200 V CB -1.285 30.177 31.823 -0.602 0.000 0.671 200 V HN 0.664 nan 8.190 nan 0.000 0.455 201 S N 1.873 116.806 115.700 -1.278 0.000 2.447 201 S HA -0.134 4.336 4.470 0.001 0.000 0.233 201 S C 1.754 175.619 174.600 -1.224 0.000 1.006 201 S CA 1.365 58.739 58.200 -1.376 0.000 0.957 201 S CB -1.053 61.434 63.200 -1.188 0.000 0.773 201 S HN 0.896 nan 8.310 nan 0.000 0.507 202 T N -2.232 111.738 114.554 -0.974 0.000 3.186 202 T HA 0.366 4.716 4.350 0.001 0.000 0.257 202 T C 0.200 174.517 174.700 -0.639 0.000 1.029 202 T CA -0.535 61.047 62.100 -0.863 0.000 0.916 202 T CB -1.064 67.513 68.868 -0.485 0.000 1.041 202 T HN 0.290 nan 8.240 nan 0.000 0.562 203 F N 0.200 119.996 119.950 -0.256 0.000 3.034 203 F HA -0.217 4.310 4.527 0.001 0.000 0.286 203 F C 1.211 176.967 175.800 -0.074 0.000 0.804 203 F CA 0.234 58.157 58.000 -0.128 0.000 1.161 203 F CB -2.547 36.419 39.000 -0.056 0.000 1.317 203 F HN 0.322 nan 8.300 nan 0.000 0.453 204 K N -0.016 120.375 120.400 -0.016 0.000 2.167 204 K HA 0.222 4.542 4.320 0.001 0.000 0.203 204 K C 0.748 177.397 176.600 0.081 0.000 1.052 204 K CA 1.105 57.406 56.287 0.022 0.000 0.956 204 K CB 0.393 32.861 32.500 -0.054 0.000 0.735 204 K HN 0.298 nan 8.250 nan 0.000 0.451 205 I N 0.484 121.054 120.570 0.001 0.000 2.465 205 I HA 0.120 4.290 4.170 0.001 0.000 0.291 205 I C -0.629 175.501 176.117 0.023 0.000 1.014 205 I CA -0.536 60.770 61.300 0.010 0.000 1.093 205 I CB 2.231 40.186 38.000 -0.074 0.000 1.267 205 I HN -0.168 nan 8.210 nan 0.000 0.431 206 S N 6.335 122.071 115.700 0.061 0.000 2.475 206 S HA 0.672 5.142 4.470 0.001 0.000 0.298 206 S C -0.405 174.259 174.600 0.106 0.000 1.119 206 S CA -0.559 57.714 58.200 0.123 0.000 1.085 206 S CB 1.014 64.294 63.200 0.133 0.000 1.028 206 S HN 0.313 nan 8.310 nan 0.000 0.489 207 L N 4.687 126.009 121.223 0.165 0.000 2.330 207 L HA 0.567 4.907 4.340 0.001 0.000 0.271 207 L C -2.051 174.894 176.870 0.125 0.000 1.013 207 L CA -2.423 52.495 54.840 0.129 0.000 0.816 207 L CB 1.450 43.596 42.059 0.145 0.000 1.287 207 L HN 0.397 nan 8.230 nan 0.000 0.435 208 P HA 0.085 nan 4.420 nan 0.000 0.272 208 P C 0.335 177.668 177.300 0.055 0.000 1.230 208 P CA -0.276 62.874 63.100 0.084 0.000 0.788 208 P CB 0.699 32.436 31.700 0.061 0.000 0.949 209 T N 1.791 116.402 114.554 0.096 0.000 2.665 209 T HA -0.088 4.263 4.350 0.001 0.000 0.268 209 T C -0.902 173.799 174.700 0.001 0.000 1.035 209 T CA 2.255 64.390 62.100 0.059 0.000 1.151 209 T CB -1.832 67.141 68.868 0.174 0.000 0.862 209 T HN 0.504 nan 8.240 nan 0.000 0.438 210 P HA 0.020 nan 4.420 nan 0.000 0.218 210 P C 1.386 178.814 177.300 0.213 0.000 1.148 210 P CA 0.881 64.080 63.100 0.166 0.000 0.822 210 P CB -0.157 31.668 31.700 0.209 0.000 0.784 211 I N -1.815 118.781 120.570 0.044 0.000 2.193 211 I HA -0.179 3.991 4.170 0.001 0.000 0.240 211 I C 2.345 178.389 176.117 -0.122 0.000 1.084 211 I CA 1.287 62.511 61.300 -0.127 0.000 1.365 211 I CB -0.539 37.376 38.000 -0.142 0.000 1.064 211 I HN -0.111 nan 8.210 nan 0.000 0.410 212 M N 0.442 119.917 119.600 -0.209 0.000 2.267 212 M HA -0.152 4.328 4.480 0.001 0.000 0.263 212 M C 2.464 178.542 176.300 -0.370 0.000 1.063 212 M CA 1.861 56.911 55.300 -0.417 0.000 1.090 212 M CB -0.917 31.033 32.600 -1.083 0.000 1.392 212 M HN 0.394 nan 8.290 nan 0.000 0.422 213 S N -1.366 114.203 115.700 -0.218 0.000 2.470 213 S HA 0.113 4.583 4.470 0.001 0.000 0.222 213 S C 1.826 176.483 174.600 0.094 0.000 1.024 213 S CA 0.642 58.815 58.200 -0.046 0.000 0.931 213 S CB -0.172 63.035 63.200 0.012 0.000 0.791 213 S HN 0.454 nan 8.310 nan 0.000 0.513 214 G N 0.736 109.650 108.800 0.190 0.000 2.781 214 G HA2 0.327 4.287 3.960 0.001 0.000 0.208 214 G HA3 0.327 4.287 3.960 0.001 0.000 0.208 214 G C 0.085 175.259 174.900 0.458 0.000 1.099 214 G CA -0.030 45.298 45.100 0.380 0.000 0.776 214 G HN 0.360 nan 8.290 nan 0.000 0.532 215 V N 2.684 122.721 119.914 0.206 0.000 2.397 215 V HA 0.360 4.480 4.120 0.001 0.000 0.262 215 V C 1.106 177.246 176.094 0.078 0.000 1.047 215 V CA 1.004 63.341 62.300 0.062 0.000 1.003 215 V CB -0.052 31.609 31.823 -0.271 0.000 1.037 215 V HN 0.764 nan 8.190 nan 0.000 0.480 216 R N 2.602 123.194 120.500 0.153 0.000 1.824 216 R HA -0.107 4.234 4.340 0.001 0.000 0.369 216 R C 0.275 176.606 176.300 0.053 0.000 0.207 216 R CA 0.674 56.762 56.100 -0.019 0.000 1.427 216 R CB -1.529 28.614 30.300 -0.263 0.000 1.829 216 R HN 0.682 nan 8.270 nan 0.000 0.191 217 T N -1.484 113.189 114.554 0.199 0.000 2.912 217 T HA 0.588 4.938 4.350 0.001 0.000 0.280 217 T C -1.976 172.843 174.700 0.198 0.000 0.989 217 T CA -1.474 60.756 62.100 0.217 0.000 0.995 217 T CB 1.967 70.957 68.868 0.203 0.000 1.077 217 T HN -0.124 nan 8.240 nan 0.000 0.531 218 P HA 0.069 nan 4.420 nan 0.000 0.228 218 P C 0.677 177.992 177.300 0.025 0.000 1.151 218 P CA 0.566 63.716 63.100 0.084 0.000 0.770 218 P CB -0.192 31.535 31.700 0.045 0.000 0.786 219 T N 0.294 114.854 114.554 0.009 0.000 2.898 219 T HA 0.146 4.496 4.350 0.001 0.000 0.301 219 T C 0.988 175.512 174.700 -0.293 0.000 1.049 219 T CA -0.172 61.841 62.100 -0.145 0.000 1.095 219 T CB 0.197 68.953 68.868 -0.186 0.000 0.976 219 T HN -0.113 nan 8.240 nan 0.000 0.539 220 R N 2.683 122.899 120.500 -0.473 0.000 2.600 220 R HA 0.171 4.512 4.340 0.001 0.000 0.392 220 R C -0.229 175.575 176.300 -0.827 0.000 1.032 220 R CA -0.083 55.647 56.100 -0.617 0.000 1.139 220 R CB 0.494 30.585 30.300 -0.348 0.000 1.400 220 R HN 0.673 nan 8.270 nan 0.000 0.566 221 Q N 0.358 119.618 119.800 -0.900 0.000 2.406 221 Q HA 0.274 4.614 4.340 0.001 0.000 0.242 221 Q C -0.358 175.240 176.000 -0.670 0.000 1.036 221 Q CA -0.010 55.444 55.803 -0.581 0.000 0.904 221 Q CB 0.501 29.048 28.738 -0.318 0.000 1.244 221 Q HN 0.036 nan 8.270 nan 0.000 0.478 222 F N -1.074 118.859 119.950 -0.028 0.000 2.798 222 F HA 0.184 4.711 4.527 0.001 0.000 0.328 222 F C 0.526 176.324 175.800 -0.005 0.000 1.098 222 F CA -0.443 57.554 58.000 -0.006 0.000 1.172 222 F CB 0.967 39.970 39.000 0.004 0.000 1.072 222 F HN 0.179 nan 8.300 nan 0.000 0.555 223 S N 0.780 116.552 115.700 0.120 0.000 2.455 223 S HA 0.223 4.693 4.470 0.001 0.000 0.278 223 S C 1.142 175.785 174.600 0.071 0.000 1.216 223 S CA 0.212 58.464 58.200 0.087 0.000 1.055 223 S CB 0.645 63.909 63.200 0.106 0.000 0.939 223 S HN 0.347 nan 8.310 nan 0.000 0.494 224 S N 1.044 116.768 115.700 0.041 0.000 2.603 224 S HA 0.157 4.628 4.470 0.001 0.000 0.232 224 S C 0.319 174.913 174.600 -0.011 0.000 1.016 224 S CA -0.443 57.776 58.200 0.033 0.000 0.976 224 S CB 0.147 63.380 63.200 0.055 0.000 0.921 224 S HN 0.642 nan 8.310 nan 0.000 0.516 225 C N 2.507 121.776 119.300 -0.052 0.000 2.547 225 C HA 0.807 5.267 4.460 0.001 0.000 0.327 225 C C -0.482 174.424 174.990 -0.140 0.000 1.076 225 C CA -0.440 58.537 59.018 -0.069 0.000 1.390 225 C CB -0.005 27.713 27.740 -0.037 0.000 1.918 225 C HN 0.585 nan 8.230 nan 0.000 0.438 226 V N 6.003 125.806 119.914 -0.185 0.000 2.604 226 V HA 0.854 4.974 4.120 0.001 0.000 0.305 226 V C -1.415 174.588 176.094 -0.152 0.000 1.043 226 V CA -0.573 61.570 62.300 -0.263 0.000 0.888 226 V CB 1.735 33.212 31.823 -0.577 0.000 0.995 226 V HN 0.642 nan 8.190 nan 0.000 0.429 227 L N 6.772 127.916 121.223 -0.130 0.000 2.319 227 L HA 0.664 5.005 4.340 0.001 0.000 0.281 227 L C -0.315 176.502 176.870 -0.088 0.000 1.005 227 L CA -0.075 54.708 54.840 -0.096 0.000 0.828 227 L CB 1.497 43.492 42.059 -0.106 0.000 1.227 227 L HN 0.639 nan 8.230 nan 0.000 0.415 228 I N 2.025 122.548 120.570 -0.077 0.000 2.465 228 I HA 0.431 4.602 4.170 0.001 0.000 0.291 228 I C -0.208 175.865 176.117 -0.074 0.000 1.014 228 I CA -0.631 60.627 61.300 -0.070 0.000 1.093 228 I CB 2.173 40.128 38.000 -0.075 0.000 1.267 228 I HN 0.576 nan 8.210 nan 0.000 0.431 229 E N 5.310 125.477 120.200 -0.055 0.000 2.151 229 E HA 0.312 4.663 4.350 0.001 0.000 0.275 229 E C -1.454 175.135 176.600 -0.018 0.000 0.936 229 E CA -0.580 55.800 56.400 -0.034 0.000 0.777 229 E CB 1.800 31.480 29.700 -0.033 0.000 1.108 229 E HN 0.715 nan 8.360 nan 0.000 0.401 230 C N 4.409 123.706 119.300 -0.005 0.000 2.369 230 C HA 0.735 5.195 4.460 0.001 0.000 0.358 230 C C 0.804 175.829 174.990 0.058 0.000 1.274 230 C CA -0.158 58.882 59.018 0.036 0.000 1.935 230 C CB -0.502 27.285 27.740 0.078 0.000 2.431 230 C HN 0.845 nan 8.230 nan 0.000 0.545 231 G N 3.101 111.934 108.800 0.055 0.000 2.528 231 G HA2 0.313 4.273 3.960 0.001 0.000 0.289 231 G HA3 0.313 4.273 3.960 0.001 0.000 0.289 231 G C -0.402 174.526 174.900 0.048 0.000 1.192 231 G CA -0.124 44.994 45.100 0.031 0.000 0.921 231 G HN 0.779 nan 8.290 nan 0.000 0.512 232 D N -0.284 120.107 120.400 -0.015 0.000 2.845 232 D HA 0.335 4.975 4.640 0.001 0.000 0.235 232 D C 0.285 176.513 176.300 -0.119 0.000 1.158 232 D CA -0.037 53.915 54.000 -0.080 0.000 0.990 232 D CB -0.470 40.206 40.800 -0.207 0.000 1.094 232 D HN 0.442 nan 8.370 nan 0.000 0.486 233 S N -0.599 115.213 115.700 0.186 0.000 2.565 233 S HA 0.286 4.757 4.470 0.001 0.000 0.269 233 S C 0.947 175.734 174.600 0.311 0.000 1.153 233 S CA -0.900 57.498 58.200 0.330 0.000 0.835 233 S CB 0.837 64.112 63.200 0.125 0.000 1.122 233 S HN 0.071 nan 8.310 nan 0.000 0.462 234 L N 0.729 122.095 121.223 0.239 0.000 2.083 234 L HA -0.089 4.252 4.340 0.001 0.000 0.209 234 L C 1.894 178.797 176.870 0.056 0.000 1.083 234 L CA 1.494 56.346 54.840 0.020 0.000 0.752 234 L CB -0.643 41.423 42.059 0.012 0.000 0.899 234 L HN 0.707 nan 8.230 nan 0.000 0.433 235 D N -0.677 119.774 120.400 0.085 0.000 2.123 235 D HA -0.188 4.453 4.640 0.001 0.000 0.196 235 D C 2.385 178.733 176.300 0.080 0.000 0.992 235 D CA 1.532 55.577 54.000 0.075 0.000 0.833 235 D CB 0.008 40.849 40.800 0.068 0.000 0.954 235 D HN 0.118 nan 8.370 nan 0.000 0.455 236 S N -0.533 115.219 115.700 0.086 0.000 2.377 236 S HA -0.005 4.465 4.470 0.001 0.000 0.223 236 S C 2.114 176.789 174.600 0.125 0.000 1.030 236 S CA 0.185 58.438 58.200 0.090 0.000 0.970 236 S CB -0.113 63.134 63.200 0.079 0.000 0.830 236 S HN 0.143 nan 8.310 nan 0.000 0.473 237 I N 2.149 122.790 120.570 0.120 0.000 2.208 237 I HA -0.204 3.967 4.170 0.001 0.000 0.245 237 I C 2.188 178.460 176.117 0.259 0.000 1.097 237 I CA 1.040 62.453 61.300 0.188 0.000 1.363 237 I CB -0.392 37.531 38.000 -0.128 0.000 1.051 237 I HN 0.297 nan 8.210 nan 0.000 0.413 238 N N 0.934 119.734 118.700 0.167 0.000 2.142 238 N HA -0.093 4.647 4.740 0.001 0.000 0.186 238 N C 1.908 177.511 175.510 0.155 0.000 1.023 238 N CA 1.543 54.699 53.050 0.177 0.000 0.852 238 N CB -0.342 38.218 38.487 0.122 0.000 0.998 238 N HN 0.348 nan 8.380 nan 0.000 0.424 239 A N 0.470 123.363 122.820 0.123 0.000 1.902 239 A HA -0.111 4.209 4.320 0.001 0.000 0.217 239 A C 2.367 180.010 177.584 0.098 0.000 1.181 239 A CA 1.950 54.045 52.037 0.096 0.000 0.623 239 A CB -1.069 17.977 19.000 0.077 0.000 0.818 239 A HN 0.290 nan 8.150 nan 0.000 0.443 240 T N -0.407 114.215 114.554 0.112 0.000 2.652 240 T HA -0.170 4.180 4.350 0.001 0.000 0.267 240 T C 2.307 177.056 174.700 0.083 0.000 1.039 240 T CA 1.894 64.027 62.100 0.056 0.000 1.153 240 T CB -0.476 68.384 68.868 -0.013 0.000 0.863 240 T HN 0.574 nan 8.240 nan 0.000 0.428 241 S N 0.824 116.659 115.700 0.225 0.000 2.359 241 S HA -0.160 4.310 4.470 0.001 0.000 0.224 241 S C 2.353 177.009 174.600 0.094 0.000 1.035 241 S CA 1.905 60.219 58.200 0.189 0.000 1.018 241 S CB -0.616 62.692 63.200 0.180 0.000 0.876 241 S HN 0.439 nan 8.310 nan 0.000 0.448 242 S N 1.446 117.206 115.700 0.099 0.000 2.370 242 S HA -0.022 4.448 4.470 0.001 0.000 0.226 242 S C 2.244 176.877 174.600 0.055 0.000 1.033 242 S CA 1.190 59.431 58.200 0.068 0.000 1.011 242 S CB -0.789 62.452 63.200 0.068 0.000 0.852 242 S HN 0.748 nan 8.310 nan 0.000 0.457 243 A N 1.202 124.065 122.820 0.072 0.000 1.930 243 A HA -0.007 4.313 4.320 0.001 0.000 0.217 243 A C 2.062 179.731 177.584 0.141 0.000 1.175 243 A CA 1.059 53.157 52.037 0.101 0.000 0.627 243 A CB -0.660 18.414 19.000 0.123 0.000 0.815 243 A HN 0.479 nan 8.150 nan 0.000 0.443 244 I N -0.518 120.109 120.570 0.095 0.000 2.179 244 I HA -0.228 3.942 4.170 0.001 0.000 0.242 244 I C 2.367 178.536 176.117 0.085 0.000 1.088 244 I CA 1.202 62.554 61.300 0.088 0.000 1.357 244 I CB -0.365 37.657 38.000 0.037 0.000 1.051 244 I HN 0.153 nan 8.210 nan 0.000 0.409 245 V N 0.726 120.671 119.914 0.052 0.000 2.287 245 V HA -0.289 3.831 4.120 0.001 0.000 0.248 245 V C 2.575 178.676 176.094 0.013 0.000 1.053 245 V CA 1.704 64.022 62.300 0.030 0.000 1.027 245 V CB -0.693 31.141 31.823 0.019 0.000 0.646 245 V HN 0.343 nan 8.190 nan 0.000 0.447 246 K N -0.843 119.549 120.400 -0.015 0.000 2.032 246 K HA -0.183 4.137 4.320 0.001 0.000 0.209 246 K C 2.109 178.627 176.600 -0.136 0.000 1.048 246 K CA 1.857 58.082 56.287 -0.103 0.000 0.927 246 K CB -0.549 31.846 32.500 -0.174 0.000 0.712 246 K HN 0.525 nan 8.250 nan 0.000 0.441 247 Y N 0.748 121.047 120.300 -0.002 0.000 2.263 247 Y HA -0.166 4.385 4.550 0.001 0.000 0.292 247 Y C 2.259 178.156 175.900 -0.004 0.000 1.130 247 Y CA 1.012 59.110 58.100 -0.004 0.000 1.179 247 Y CB -0.539 37.922 38.460 0.001 0.000 0.998 247 Y HN -0.079 nan 8.280 nan 0.000 0.532 248 V N -2.038 117.963 119.914 0.145 0.000 2.809 248 V HA -0.158 3.962 4.120 0.001 0.000 0.256 248 V C 2.056 178.181 176.094 0.052 0.000 1.080 248 V CA 1.688 64.040 62.300 0.088 0.000 1.102 248 V CB -1.196 30.666 31.823 0.064 0.000 0.705 248 V HN 0.441 nan 8.190 nan 0.000 0.475 249 S N 0.179 115.896 115.700 0.028 0.000 2.474 249 S HA -0.152 4.318 4.470 0.001 0.000 0.235 249 S C 1.771 176.370 174.600 -0.003 0.000 0.997 249 S CA 1.322 59.524 58.200 0.003 0.000 0.949 249 S CB -0.560 62.628 63.200 -0.019 0.000 0.766 249 S HN 0.776 nan 8.310 nan 0.000 0.517 250 Q N -0.027 119.780 119.800 0.011 0.000 2.247 250 Q HA 0.343 4.684 4.340 0.001 0.000 0.204 250 Q C -0.190 175.835 176.000 0.042 0.000 0.872 250 Q CA -0.350 55.457 55.803 0.007 0.000 0.951 250 Q CB 0.340 29.073 28.738 -0.008 0.000 1.099 250 Q HN 0.270 nan 8.270 nan 0.000 0.501 251 R N -1.182 119.352 120.500 0.056 0.000 3.822 251 R HA -0.106 4.235 4.340 0.001 0.000 0.366 251 R C -0.734 175.609 176.300 0.071 0.000 1.137 251 R CA 0.728 56.863 56.100 0.058 0.000 0.933 251 R CB -2.120 28.209 30.300 0.048 0.000 1.522 251 R HN 0.286 nan 8.270 nan 0.000 0.519 252 A N 0.337 123.213 122.820 0.094 0.000 2.340 252 A HA 0.668 4.989 4.320 0.001 0.000 0.268 252 A C 0.898 178.509 177.584 0.045 0.000 1.100 252 A CA 0.432 52.512 52.037 0.071 0.000 0.803 252 A CB 0.754 19.804 19.000 0.083 0.000 1.043 252 A HN 0.299 nan 8.150 nan 0.000 0.488 253 G N 0.673 109.487 108.800 0.022 0.000 2.420 253 G HA2 0.526 4.486 3.960 0.001 0.000 0.284 253 G HA3 0.526 4.486 3.960 0.001 0.000 0.284 253 G C -0.342 174.554 174.900 -0.006 0.000 1.177 253 G CA -0.388 44.724 45.100 0.020 0.000 0.841 253 G HN 0.547 nan 8.290 nan 0.000 0.527 254 I N 1.078 121.651 120.570 0.005 0.000 2.509 254 I HA 0.461 4.632 4.170 0.001 0.000 0.293 254 I C 0.531 176.662 176.117 0.024 0.000 1.020 254 I CA -0.764 60.529 61.300 -0.012 0.000 1.088 254 I CB 1.415 39.405 38.000 -0.017 0.000 1.267 254 I HN 0.541 nan 8.210 nan 0.000 0.430 255 G N 6.580 115.403 108.800 0.039 0.000 2.370 255 G HA2 0.716 4.677 3.960 0.001 0.000 0.317 255 G HA3 0.716 4.677 3.960 0.001 0.000 0.317 255 G C -0.697 174.262 174.900 0.097 0.000 1.162 255 G CA -0.347 44.851 45.100 0.163 0.000 0.922 255 G HN 0.483 nan 8.290 nan 0.000 0.454 256 I N 2.159 122.807 120.570 0.130 0.000 2.362 256 I HA 0.218 4.388 4.170 0.001 0.000 0.289 256 I C -0.507 175.696 176.117 0.144 0.000 0.994 256 I CA -1.038 60.258 61.300 -0.006 0.000 1.158 256 I CB 2.075 39.943 38.000 -0.221 0.000 1.315 256 I HN 0.296 nan 8.210 nan 0.000 0.451 257 N N 5.212 123.961 118.700 0.082 0.000 2.462 257 N HA 0.446 5.186 4.740 0.001 0.000 0.242 257 N C 0.037 175.627 175.510 0.133 0.000 1.010 257 N CA -0.192 52.957 53.050 0.164 0.000 0.939 257 N CB 1.596 40.141 38.487 0.096 0.000 1.127 257 N HN 0.752 nan 8.380 nan 0.000 0.509 258 A N 2.266 125.214 122.820 0.213 0.000 2.538 258 A HA 0.332 4.653 4.320 0.001 0.000 0.269 258 A C 1.576 179.382 177.584 0.370 0.000 1.231 258 A CA 0.097 52.306 52.037 0.287 0.000 0.948 258 A CB -0.162 19.038 19.000 0.333 0.000 1.110 258 A HN 0.626 nan 8.150 nan 0.000 0.529 259 G N 0.406 109.434 108.800 0.381 0.000 2.470 259 G HA2 -0.193 3.768 3.960 0.001 0.000 0.220 259 G HA3 -0.193 3.768 3.960 0.001 0.000 0.220 259 G C 1.542 176.600 174.900 0.263 0.000 1.121 259 G CA 0.744 46.099 45.100 0.427 0.000 0.766 259 G HN 0.547 nan 8.290 nan 0.000 0.553 260 R N -0.434 120.086 120.500 0.034 0.000 2.193 260 R HA 0.198 4.538 4.340 0.001 0.000 0.213 260 R C 0.687 177.008 176.300 0.034 0.000 1.055 260 R CA -0.185 55.805 56.100 -0.184 0.000 0.995 260 R CB -0.091 30.042 30.300 -0.278 0.000 0.893 260 R HN 0.319 nan 8.270 nan 0.000 0.459 261 I N 3.624 124.311 120.570 0.194 0.000 2.741 261 I HA -0.095 4.075 4.170 0.001 0.000 0.288 261 I C 0.769 177.072 176.117 0.310 0.000 1.192 261 I CA 0.164 61.625 61.300 0.268 0.000 1.426 261 I CB 0.233 38.457 38.000 0.373 0.000 1.367 261 I HN 0.209 nan 8.210 nan 0.000 0.563 262 R N 6.129 126.749 120.500 0.200 0.000 2.694 262 R HA 0.531 4.872 4.340 0.001 0.000 0.268 262 R C -0.127 176.308 176.300 0.225 0.000 1.061 262 R CA -0.696 55.483 56.100 0.131 0.000 1.133 262 R CB 0.420 30.710 30.300 -0.017 0.000 1.020 262 R HN 0.610 nan 8.270 nan 0.000 0.475 263 A N 3.131 126.032 122.820 0.135 0.000 2.386 263 A HA 0.180 4.501 4.320 0.001 0.000 0.248 263 A C 0.063 177.706 177.584 0.099 0.000 1.082 263 A CA -0.717 51.420 52.037 0.167 0.000 0.789 263 A CB 0.262 19.304 19.000 0.069 0.000 1.025 263 A HN 0.754 nan 8.150 nan 0.000 0.490 264 L N 1.813 123.081 121.223 0.076 0.000 2.678 264 L HA 0.325 4.665 4.340 0.001 0.000 0.285 264 L C 1.271 178.149 176.870 0.014 0.000 1.233 264 L CA 2.280 57.145 54.840 0.042 0.000 0.920 264 L CB -0.366 41.697 42.059 0.008 0.000 1.176 264 L HN 1.698 nan 8.230 nan 0.000 0.495 265 G N 2.178 110.973 108.800 -0.008 0.000 2.176 265 G HA2 -0.241 3.720 3.960 0.001 0.000 0.232 265 G HA3 -0.241 3.720 3.960 0.001 0.000 0.232 265 G C 0.428 175.163 174.900 -0.275 0.000 0.986 265 G CA 0.129 45.170 45.100 -0.099 0.000 0.643 265 G HN 0.879 nan 8.290 nan 0.000 0.522 266 S N 2.267 117.841 115.700 -0.210 0.000 2.562 266 S HA 0.485 4.955 4.470 0.001 0.000 0.281 266 S C -1.227 173.190 174.600 -0.304 0.000 1.333 266 S CA -0.454 57.635 58.200 -0.184 0.000 1.052 266 S CB 1.211 64.365 63.200 -0.077 0.000 0.884 266 S HN 0.338 nan 8.310 nan 0.000 0.506 275 H N 0.995 120.196 119.070 0.219 0.000 2.423 275 H HA -0.026 4.530 4.556 0.001 0.000 0.297 275 H C 1.894 177.253 175.328 0.051 0.000 1.075 275 H CA 2.321 58.434 56.048 0.107 0.000 1.342 275 H CB 0.204 30.004 29.762 0.064 0.000 1.395 275 H HN 0.358 nan 8.280 nan 0.000 0.530 276 T N -2.490 112.154 114.554 0.150 0.000 3.081 276 T HA 0.343 4.693 4.350 0.001 0.000 0.255 276 T C 1.078 175.752 174.700 -0.044 0.000 1.113 276 T CA 0.531 62.635 62.100 0.006 0.000 1.082 276 T CB 0.417 69.216 68.868 -0.115 0.000 0.939 276 T HN 0.589 nan 8.240 nan 0.000 0.506 277 G N -0.154 108.672 108.800 0.043 0.000 2.660 277 G HA2 -0.189 3.772 3.960 0.001 0.000 0.247 277 G HA3 -0.189 3.772 3.960 0.001 0.000 0.247 277 G C 0.682 175.611 174.900 0.048 0.000 1.328 277 G CA -0.556 44.578 45.100 0.056 0.000 0.884 277 G HN 0.307 nan 8.290 nan 0.000 0.531 278 C N -0.350 118.934 119.300 -0.027 0.000 2.466 278 C HA 0.096 4.557 4.460 0.001 0.000 0.278 278 C C 3.052 177.834 174.990 -0.346 0.000 1.288 278 C CA 1.470 60.409 59.018 -0.130 0.000 1.722 278 C CB -1.543 25.910 27.740 -0.478 0.000 2.017 278 C HN 0.531 nan 8.230 nan 0.000 0.488 279 I N 1.571 121.888 120.570 -0.423 0.000 2.163 279 I HA -0.163 4.008 4.170 0.001 0.000 0.243 279 I C -0.540 175.476 176.117 -0.168 0.000 1.085 279 I CA 1.781 62.876 61.300 -0.341 0.000 1.347 279 I CB -1.536 36.307 38.000 -0.261 0.000 1.044 279 I HN 0.225 nan 8.210 nan 0.000 0.408 280 P HA -0.161 nan 4.420 nan 0.000 0.218 280 P C 1.501 178.627 177.300 -0.291 0.000 1.148 280 P CA 1.555 64.467 63.100 -0.314 0.000 0.822 280 P CB -0.085 31.310 31.700 -0.510 0.000 0.784 281 F N -2.686 117.199 119.950 -0.108 0.000 2.206 281 F HA -0.108 4.420 4.527 0.001 0.000 0.298 281 F C 2.257 177.889 175.800 -0.279 0.000 1.090 281 F CA 0.902 58.767 58.000 -0.224 0.000 1.323 281 F CB -1.559 37.321 39.000 -0.200 0.000 1.028 281 F HN -0.105 nan 8.300 nan 0.000 0.492 282 Y N 0.895 121.189 120.300 -0.011 0.000 2.165 282 Y HA -0.210 4.340 4.550 0.001 0.000 0.286 282 Y C 2.290 178.268 175.900 0.130 0.000 1.155 282 Y CA 0.874 59.062 58.100 0.147 0.000 1.164 282 Y CB -1.145 37.441 38.460 0.209 0.000 0.978 282 Y HN 0.043 nan 8.280 nan 0.000 0.513 283 K N -1.156 119.385 120.400 0.236 0.000 2.063 283 K HA -0.255 4.066 4.320 0.001 0.000 0.208 283 K C 1.987 178.687 176.600 0.166 0.000 1.048 283 K CA 1.799 58.186 56.287 0.167 0.000 0.928 283 K CB -0.380 32.171 32.500 0.086 0.000 0.713 283 K HN 0.296 nan 8.250 nan 0.000 0.442 284 H N -0.204 118.863 119.070 -0.005 0.000 2.389 284 H HA -0.081 4.476 4.556 0.001 0.000 0.299 284 H C 1.515 176.900 175.328 0.095 0.000 1.081 284 H CA 1.466 57.509 56.048 -0.007 0.000 1.345 284 H CB -0.008 29.715 29.762 -0.065 0.000 1.393 284 H HN 0.064 nan 8.280 nan 0.000 0.520 285 F N 0.612 120.640 119.950 0.132 0.000 2.146 285 F HA -0.122 4.406 4.527 0.001 0.000 0.298 285 F C 2.796 178.604 175.800 0.013 0.000 1.096 285 F CA 1.407 59.425 58.000 0.029 0.000 1.275 285 F CB -1.094 37.937 39.000 0.052 0.000 1.008 285 F HN 0.311 nan 8.300 nan 0.000 0.480 286 Q N 0.386 120.330 119.800 0.241 0.000 2.096 286 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 286 Q C 2.114 178.179 176.000 0.108 0.000 0.982 286 Q CA 2.706 58.606 55.803 0.163 0.000 0.850 286 Q CB -0.202 28.645 28.738 0.183 0.000 0.901 286 Q HN 0.517 nan 8.270 nan 0.000 0.422 287 T N -2.085 112.521 114.554 0.087 0.000 2.904 287 T HA 0.065 4.416 4.350 0.001 0.000 0.267 287 T C 1.872 176.581 174.700 0.015 0.000 1.059 287 T CA 0.861 62.991 62.100 0.050 0.000 1.137 287 T CB -0.414 68.493 68.868 0.064 0.000 0.879 287 T HN 0.360 nan 8.240 nan 0.000 0.467 288 A N 1.515 124.325 122.820 -0.018 0.000 1.883 288 A HA 0.016 4.336 4.320 0.001 0.000 0.217 288 A C 2.639 180.241 177.584 0.030 0.000 1.186 288 A CA 1.749 53.779 52.037 -0.011 0.000 0.624 288 A CB -1.266 17.731 19.000 -0.004 0.000 0.822 288 A HN 0.394 nan 8.150 nan 0.000 0.444 289 V N -0.362 119.583 119.914 0.052 0.000 2.332 289 V HA -0.231 3.889 4.120 0.001 0.000 0.248 289 V C 2.175 178.293 176.094 0.039 0.000 1.055 289 V CA 2.474 64.803 62.300 0.048 0.000 1.038 289 V CB -0.535 31.319 31.823 0.053 0.000 0.651 289 V HN 0.509 nan 8.190 nan 0.000 0.450 290 K N 0.247 120.669 120.400 0.035 0.000 2.410 290 K HA 0.091 4.411 4.320 0.001 0.000 0.200 290 K C 1.888 178.497 176.600 0.014 0.000 1.023 290 K CA 0.564 56.863 56.287 0.020 0.000 1.149 290 K CB 0.026 32.529 32.500 0.006 0.000 0.859 290 K HN 0.613 nan 8.250 nan 0.000 0.514 291 S N -1.109 114.602 115.700 0.018 0.000 2.442 291 S HA -0.149 4.321 4.470 0.001 0.000 0.236 291 S C 1.277 175.885 174.600 0.013 0.000 1.007 291 S CA 0.657 58.866 58.200 0.015 0.000 0.965 291 S CB -0.312 62.897 63.200 0.015 0.000 0.773 291 S HN 0.287 nan 8.310 nan 0.000 0.504 292 C N 2.328 121.637 119.300 0.014 0.000 2.638 292 C HA 0.574 5.035 4.460 0.001 0.000 0.282 292 C C 0.502 175.498 174.990 0.012 0.000 1.473 292 C CA -0.951 58.074 59.018 0.012 0.000 1.781 292 C CB -1.520 26.227 27.740 0.012 0.000 2.780 292 C HN 0.411 nan 8.230 nan 0.000 0.531 293 S N 0.430 116.135 115.700 0.008 0.000 2.537 293 S HA 0.308 4.778 4.470 0.001 0.000 0.301 293 S C 0.702 175.301 174.600 -0.001 0.000 1.092 293 S CA -0.375 57.828 58.200 0.004 0.000 1.048 293 S CB 1.942 65.141 63.200 -0.001 0.000 1.053 293 S HN 0.493 nan 8.310 nan 0.000 0.501 294 Q N 2.682 122.482 119.800 0.000 0.000 1.943 294 Q HA -0.132 4.208 4.340 0.001 0.000 0.213 294 Q C 0.992 176.988 176.000 -0.007 0.000 1.017 294 Q CA 2.269 58.071 55.803 -0.001 0.000 0.874 294 Q CB -0.614 28.125 28.738 0.002 0.000 0.960 294 Q HN 0.903 nan 8.270 nan 0.000 0.417 295 G N -2.436 106.355 108.800 -0.016 0.000 4.956 295 G HA2 0.475 4.435 3.960 0.001 0.000 0.290 295 G HA3 0.475 4.435 3.960 0.001 0.000 0.290 295 G C 0.309 175.181 174.900 -0.047 0.000 1.352 295 G CA 0.045 45.132 45.100 -0.023 0.000 0.983 295 G HN 0.836 nan 8.290 nan 0.000 0.581 296 G N -0.883 107.886 108.800 -0.052 0.000 2.184 296 G HA2 -0.250 3.711 3.960 0.001 0.000 0.264 296 G HA3 -0.250 3.711 3.960 0.001 0.000 0.264 296 G C 0.979 175.781 174.900 -0.163 0.000 0.975 296 G CA 1.268 46.314 45.100 -0.091 0.000 0.642 296 G HN 1.657 nan 8.290 nan 0.000 0.536 297 V N -4.383 115.459 119.914 -0.119 0.000 3.273 297 V HA 0.478 4.598 4.120 0.001 0.000 0.208 297 V C 1.089 177.164 176.094 -0.032 0.000 1.464 297 V CA 0.906 63.135 62.300 -0.118 0.000 1.270 297 V CB -0.125 31.614 31.823 -0.141 0.000 1.161 297 V HN 0.303 nan 8.190 nan 0.000 0.512 298 R N 2.294 122.784 120.500 -0.018 0.000 2.459 298 R HA 0.500 4.841 4.340 0.001 0.000 0.301 298 R C 0.299 176.607 176.300 0.013 0.000 1.286 298 R CA 1.233 57.336 56.100 0.006 0.000 1.046 298 R CB -0.567 29.737 30.300 0.007 0.000 1.071 298 R HN 1.142 nan 8.270 nan 0.000 0.512 299 G N 1.639 110.454 108.800 0.024 0.000 2.539 299 G HA2 0.241 4.201 3.960 0.001 0.000 0.686 299 G HA3 0.241 4.201 3.960 0.001 0.000 0.686 299 G C -0.177 174.742 174.900 0.032 0.000 1.258 299 G CA -0.526 44.591 45.100 0.030 0.000 0.846 299 G HN 0.953 nan 8.290 nan 0.000 0.647 300 G N -1.051 107.773 108.800 0.039 0.000 3.284 300 G HA2 0.509 4.469 3.960 0.001 0.000 0.665 300 G HA3 0.509 4.469 3.960 0.001 0.000 0.665 300 G C 0.279 175.206 174.900 0.046 0.000 0.894 300 G CA 0.977 46.102 45.100 0.042 0.000 0.838 300 G HN 2.734 nan 8.290 nan 0.000 0.501 301 A N 1.685 124.534 122.820 0.048 0.000 2.486 301 A HA 1.171 5.491 4.320 0.001 0.000 0.300 301 A C 0.111 177.717 177.584 0.036 0.000 1.048 301 A CA 0.256 52.323 52.037 0.050 0.000 0.696 301 A CB 1.801 20.841 19.000 0.066 0.000 1.278 301 A HN 2.733 nan 8.150 nan 0.000 0.405 302 A N 0.636 123.466 122.820 0.016 0.000 2.539 302 A HA 0.897 5.217 4.320 0.001 0.000 0.296 302 A C -0.531 177.014 177.584 -0.064 0.000 1.073 302 A CA -0.490 51.538 52.037 -0.015 0.000 0.700 302 A CB 1.520 20.500 19.000 -0.034 0.000 1.296 302 A HN 0.942 nan 8.150 nan 0.000 0.405 303 T N 1.654 116.168 114.554 -0.066 0.000 2.812 303 T HA 0.553 4.903 4.350 0.001 0.000 0.282 303 T C -0.770 173.750 174.700 -0.301 0.000 0.990 303 T CA -0.172 61.809 62.100 -0.199 0.000 0.960 303 T CB 0.924 69.744 68.868 -0.080 0.000 0.948 303 T HN 0.609 nan 8.240 nan 0.000 0.438 304 L N 3.763 124.713 121.223 -0.455 0.000 2.317 304 L HA 0.748 5.089 4.340 0.001 0.000 0.281 304 L C -1.519 175.172 176.870 -0.299 0.000 1.024 304 L CA -0.781 53.906 54.840 -0.255 0.000 0.810 304 L CB 0.728 42.665 42.059 -0.203 0.000 1.240 304 L HN 0.539 nan 8.230 nan 0.000 0.427 305 F N 4.221 124.224 119.950 0.089 0.000 2.469 305 F HA 0.578 5.106 4.527 0.001 0.000 0.332 305 F C -0.590 175.336 175.800 0.211 0.000 1.103 305 F CA -0.414 57.632 58.000 0.077 0.000 0.979 305 F CB 1.578 40.632 39.000 0.089 0.000 1.137 305 F HN 0.366 nan 8.300 nan 0.000 0.463 306 Y N 1.017 121.526 120.300 0.349 0.000 2.581 306 Y HA 0.715 5.265 4.550 0.001 0.000 0.337 306 Y C -3.371 172.636 175.900 0.178 0.000 1.108 306 Y CA -3.707 54.548 58.100 0.260 0.000 1.033 306 Y CB 0.852 39.404 38.460 0.153 0.000 1.318 306 Y HN 0.227 nan 8.280 nan 0.000 0.459 307 P HA 0.102 nan 4.420 nan 0.000 0.275 307 P C 0.567 177.772 177.300 -0.158 0.000 1.228 307 P CA -0.379 62.618 63.100 -0.172 0.000 0.786 307 P CB 1.528 32.616 31.700 -1.021 0.000 0.927 308 M N 3.295 122.815 119.600 -0.134 0.000 2.279 308 M HA -0.077 4.404 4.480 0.001 0.000 0.264 308 M C 1.055 177.366 176.300 0.018 0.000 1.062 308 M CA 1.729 57.009 55.300 -0.034 0.000 1.099 308 M CB -0.373 32.167 32.600 -0.099 0.000 1.394 308 M HN 0.448 nan 8.290 nan 0.000 0.426 309 W N -0.533 120.788 121.300 0.034 0.000 3.256 309 W HA 0.137 4.798 4.660 0.001 0.000 0.269 309 W C 0.247 176.858 176.519 0.153 0.000 1.310 309 W CA -0.490 56.917 57.345 0.104 0.000 1.673 309 W CB -1.506 28.072 29.460 0.198 0.000 1.115 309 W HN 0.130 nan 8.180 nan 0.000 0.686 310 H N 2.358 121.346 119.070 -0.136 0.000 2.972 310 H HA -0.085 4.472 4.556 0.001 0.000 0.343 310 H C 1.064 176.412 175.328 0.033 0.000 1.054 310 H CA 0.712 56.716 56.048 -0.073 0.000 1.412 310 H CB 1.688 31.363 29.762 -0.145 0.000 1.385 310 H HN 0.074 nan 8.280 nan 0.000 0.600 311 L N 4.295 125.527 121.223 0.015 0.000 2.127 311 L HA -0.135 4.205 4.340 0.001 0.000 0.211 311 L C 1.690 178.628 176.870 0.114 0.000 1.089 311 L CA 1.776 56.648 54.840 0.054 0.000 0.757 311 L CB -0.252 41.794 42.059 -0.021 0.000 0.899 311 L HN 0.701 nan 8.230 nan 0.000 0.434 312 E N -1.548 118.826 120.200 0.289 0.000 2.465 312 E HA -0.044 4.307 4.350 0.001 0.000 0.191 312 E C 2.045 178.571 176.600 -0.124 0.000 1.053 312 E CA 0.217 56.636 56.400 0.031 0.000 0.869 312 E CB 0.212 29.873 29.700 -0.065 0.000 0.977 312 E HN 0.373 nan 8.360 nan 0.000 0.483 313 V N 1.455 121.328 119.914 -0.069 0.000 2.324 313 V HA -0.347 3.774 4.120 0.001 0.000 0.250 313 V C 1.797 177.809 176.094 -0.137 0.000 1.060 313 V CA 2.163 64.375 62.300 -0.146 0.000 1.042 313 V CB -0.066 31.758 31.823 0.002 0.000 0.650 313 V HN 0.284 nan 8.190 nan 0.000 0.450 314 E N -0.225 119.923 120.200 -0.087 0.000 2.118 314 E HA -0.178 4.172 4.350 0.001 0.000 0.195 314 E C 2.341 178.875 176.600 -0.110 0.000 0.992 314 E CA 1.645 57.998 56.400 -0.078 0.000 0.804 314 E CB -0.222 29.445 29.700 -0.054 0.000 0.741 314 E HN 0.642 nan 8.360 nan 0.000 0.458 315 S N 0.716 116.331 115.700 -0.142 0.000 2.387 315 S HA -0.037 4.433 4.470 0.001 0.000 0.226 315 S C 1.991 176.447 174.600 -0.241 0.000 1.026 315 S CA 0.596 58.695 58.200 -0.169 0.000 0.972 315 S CB -0.058 63.040 63.200 -0.171 0.000 0.814 315 S HN 0.178 nan 8.310 nan 0.000 0.477 316 L N 0.773 121.792 121.223 -0.341 0.000 2.093 316 L HA -0.044 4.296 4.340 0.001 0.000 0.208 316 L C 2.059 178.727 176.870 -0.337 0.000 1.085 316 L CA 0.520 55.064 54.840 -0.493 0.000 0.755 316 L CB -0.564 40.913 42.059 -0.970 0.000 0.904 316 L HN 0.261 nan 8.230 nan 0.000 0.435 317 L N 0.051 121.169 121.223 -0.175 0.000 2.127 317 L HA -0.137 4.204 4.340 0.001 0.000 0.211 317 L C 2.169 178.978 176.870 -0.102 0.000 1.089 317 L CA 1.628 56.430 54.840 -0.064 0.000 0.757 317 L CB -0.733 41.307 42.059 -0.030 0.000 0.899 317 L HN 0.258 nan 8.230 nan 0.000 0.434 318 V N -5.125 114.713 119.914 -0.128 0.000 3.444 318 V HA 0.120 4.240 4.120 0.001 0.000 0.308 318 V C 1.880 177.908 176.094 -0.109 0.000 1.371 318 V CA 0.062 62.303 62.300 -0.098 0.000 1.141 318 V CB -0.510 31.266 31.823 -0.077 0.000 1.037 318 V HN 0.216 nan 8.190 nan 0.000 0.433 319 L N 1.189 122.307 121.223 -0.176 0.000 2.191 319 L HA -0.056 4.284 4.340 0.001 0.000 0.212 319 L C 2.410 179.264 176.870 -0.026 0.000 1.103 319 L CA 1.891 56.645 54.840 -0.144 0.000 0.769 319 L CB -0.244 41.637 42.059 -0.297 0.000 0.908 319 L HN 0.556 nan 8.230 nan 0.000 0.438 320 K N -1.248 119.149 120.400 -0.004 0.000 2.399 320 K HA 0.090 4.411 4.320 0.001 0.000 0.204 320 K C 0.396 176.981 176.600 -0.024 0.000 1.023 320 K CA -0.299 55.995 56.287 0.011 0.000 1.127 320 K CB -0.091 32.444 32.500 0.058 0.000 0.856 320 K HN 0.024 nan 8.250 nan 0.000 0.514 321 N N 3.229 121.910 118.700 -0.032 0.000 2.427 321 N HA -0.053 4.688 4.740 0.001 0.000 0.269 321 N C 0.021 175.514 175.510 -0.029 0.000 1.235 321 N CA 0.137 53.169 53.050 -0.031 0.000 0.934 321 N CB 0.659 39.125 38.487 -0.035 0.000 1.121 321 N HN 0.315 nan 8.380 nan 0.000 0.480 322 N N 3.111 121.796 118.700 -0.025 0.000 2.609 322 N HA -0.134 4.606 4.740 0.001 0.000 0.190 322 N C 0.307 175.809 175.510 -0.014 0.000 1.157 322 N CA 0.642 53.680 53.050 -0.021 0.000 0.918 322 N CB 0.029 38.507 38.487 -0.015 0.000 0.978 322 N HN 0.477 nan 8.380 nan 0.000 0.448 323 R N 0.204 120.694 120.500 -0.017 0.000 2.477 323 R HA 0.529 4.870 4.340 0.001 0.000 0.285 323 R C -0.917 175.372 176.300 -0.019 0.000 1.415 323 R CA -0.309 55.782 56.100 -0.015 0.000 1.446 323 R CB -0.089 30.203 30.300 -0.014 0.000 1.110 323 R HN 0.300 nan 8.270 nan 0.000 0.590 324 G N 0.824 109.613 108.800 -0.018 0.000 2.550 324 G HA2 0.191 4.152 3.960 0.001 0.000 0.293 324 G HA3 0.191 4.152 3.960 0.001 0.000 0.293 324 G C -1.606 173.282 174.900 -0.019 0.000 1.402 324 G CA -0.544 44.543 45.100 -0.022 0.000 0.784 324 G HN 0.216 nan 8.290 nan 0.000 0.482 325 V N -0.034 119.866 119.914 -0.023 0.000 2.811 325 V HA 0.266 4.386 4.120 0.001 0.000 0.302 325 V C 1.672 177.755 176.094 -0.019 0.000 1.063 325 V CA 0.521 62.809 62.300 -0.020 0.000 1.088 325 V CB 1.577 33.385 31.823 -0.025 0.000 0.982 325 V HN 0.950 nan 8.190 nan 0.000 0.485 326 E N 3.545 123.737 120.200 -0.012 0.000 2.150 326 E HA -0.024 4.327 4.350 0.001 0.000 0.193 326 E C 1.827 178.421 176.600 -0.010 0.000 0.985 326 E CA 1.462 57.860 56.400 -0.003 0.000 0.814 326 E CB -0.403 29.299 29.700 0.004 0.000 0.752 326 E HN 0.887 nan 8.360 nan 0.000 0.466 327 G N -0.772 108.013 108.800 -0.025 0.000 2.920 327 G HA2 -0.107 3.853 3.960 0.001 0.000 0.208 327 G HA3 -0.107 3.853 3.960 0.001 0.000 0.208 327 G C 0.568 175.437 174.900 -0.053 0.000 1.159 327 G CA 0.155 45.232 45.100 -0.039 0.000 0.784 327 G HN 0.235 nan 8.290 nan 0.000 0.535 328 N N -0.497 118.174 118.700 -0.048 0.000 2.305 328 N HA 0.185 4.926 4.740 0.001 0.000 0.248 328 N C -0.502 174.974 175.510 -0.056 0.000 1.290 328 N CA -0.392 52.618 53.050 -0.065 0.000 0.873 328 N CB 0.929 39.374 38.487 -0.069 0.000 1.261 328 N HN -0.107 nan 8.380 nan 0.000 0.504 329 R N 1.127 121.612 120.500 -0.026 0.000 2.575 329 R HA 0.448 4.788 4.340 0.001 0.000 0.293 329 R C -1.188 175.138 176.300 0.043 0.000 0.983 329 R CA -0.612 55.485 56.100 -0.006 0.000 0.887 329 R CB 2.062 32.357 30.300 -0.008 0.000 1.184 329 R HN -0.178 nan 8.270 nan 0.000 0.445 330 V N 4.568 124.535 119.914 0.089 0.000 2.380 330 V HA 0.359 4.479 4.120 0.001 0.000 0.268 330 V C 1.058 177.275 176.094 0.206 0.000 1.008 330 V CA -0.507 61.906 62.300 0.187 0.000 0.823 330 V CB 1.162 33.174 31.823 0.314 0.000 1.053 330 V HN 0.650 nan 8.190 nan 0.000 0.446 331 R N 0.355 120.883 120.500 0.047 0.000 2.254 331 R HA 0.174 4.514 4.340 0.001 0.000 0.195 331 R C 0.767 176.917 176.300 -0.251 0.000 0.957 331 R CA 0.417 56.441 56.100 -0.127 0.000 1.024 331 R CB 0.251 30.361 30.300 -0.316 0.000 0.952 331 R HN 0.682 nan 8.270 nan 0.000 0.484 332 H N -0.429 118.696 119.070 0.091 0.000 2.488 332 H HA 0.316 4.872 4.556 0.001 0.000 0.294 332 H C 0.079 175.411 175.328 0.007 0.000 1.088 332 H CA 0.181 56.259 56.048 0.049 0.000 1.086 332 H CB 0.256 30.047 29.762 0.049 0.000 1.569 332 H HN 0.029 nan 8.280 nan 0.000 0.548 333 M N 0.438 120.040 119.600 0.004 0.000 2.644 333 M HA 0.238 4.718 4.480 0.001 0.000 0.304 333 M C -0.632 175.417 176.300 -0.418 0.000 1.215 333 M CA -0.866 54.313 55.300 -0.201 0.000 0.871 333 M CB 2.479 34.896 32.600 -0.306 0.000 1.740 333 M HN -0.058 nan 8.290 nan 0.000 0.464 334 D N 0.260 120.412 120.400 -0.414 0.000 2.388 334 D HA 0.518 5.159 4.640 0.001 0.000 0.254 334 D C -1.470 174.370 176.300 -0.767 0.000 1.111 334 D CA 0.260 54.013 54.000 -0.413 0.000 0.993 334 D CB 0.932 41.697 40.800 -0.058 0.000 1.118 334 D HN 0.287 nan 8.370 nan 0.000 0.502 335 Y N -1.235 118.920 120.300 -0.241 0.000 2.477 335 Y HA 0.549 5.099 4.550 0.001 0.000 0.347 335 Y C 0.604 176.297 175.900 -0.347 0.000 0.981 335 Y CA -1.125 56.820 58.100 -0.259 0.000 1.033 335 Y CB 2.509 40.930 38.460 -0.066 0.000 1.245 335 Y HN 0.336 nan 8.280 nan 0.000 0.455 336 G N 1.593 110.147 108.800 -0.411 0.000 2.574 336 G HA2 0.542 4.503 3.960 0.001 0.000 0.306 336 G HA3 0.542 4.503 3.960 0.001 0.000 0.306 336 G C -1.573 173.171 174.900 -0.260 0.000 1.334 336 G CA -0.630 44.302 45.100 -0.279 0.000 0.954 336 G HN 0.435 nan 8.290 nan 0.000 0.500 337 V N 2.808 122.620 119.914 -0.171 0.000 2.432 337 V HA 0.274 4.395 4.120 0.001 0.000 0.275 337 V C 0.159 176.265 176.094 0.020 0.000 1.043 337 V CA -0.471 61.688 62.300 -0.235 0.000 0.925 337 V CB 1.187 32.920 31.823 -0.150 0.000 0.985 337 V HN 0.742 nan 8.190 nan 0.000 0.466 338 Q N 4.949 124.792 119.800 0.072 0.000 2.278 338 Q HA 0.701 5.041 4.340 0.001 0.000 0.257 338 Q C -0.936 175.204 176.000 0.234 0.000 0.928 338 Q CA -0.173 55.746 55.803 0.194 0.000 0.932 338 Q CB 1.976 30.908 28.738 0.322 0.000 1.221 338 Q HN 0.656 nan 8.270 nan 0.000 0.434 339 I N 1.839 122.488 120.570 0.132 0.000 2.730 339 I HA 0.472 4.642 4.170 0.001 0.000 0.298 339 I C -0.551 175.547 176.117 -0.031 0.000 1.089 339 I CA -1.145 60.190 61.300 0.058 0.000 1.041 339 I CB 2.026 39.932 38.000 -0.156 0.000 1.235 339 I HN 0.653 nan 8.210 nan 0.000 0.423 340 N N 3.153 121.827 118.700 -0.044 0.000 2.761 340 N HA 0.328 5.068 4.740 0.001 0.000 0.283 340 N C 0.161 175.663 175.510 -0.012 0.000 1.377 340 N CA -1.039 51.959 53.050 -0.087 0.000 0.791 340 N CB 1.230 39.524 38.487 -0.322 0.000 1.540 340 N HN 0.560 nan 8.380 nan 0.000 0.539 341 K N -0.806 119.601 120.400 0.012 0.000 2.044 341 K HA -0.142 4.179 4.320 0.001 0.000 0.210 341 K C 1.638 178.250 176.600 0.019 0.000 1.049 341 K CA 1.400 57.675 56.287 -0.020 0.000 0.927 341 K CB -0.303 32.250 32.500 0.089 0.000 0.713 341 K HN 0.430 nan 8.250 nan 0.000 0.443 342 L N 1.080 122.327 121.223 0.039 0.000 2.042 342 L HA -0.227 4.113 4.340 0.001 0.000 0.210 342 L C 2.177 179.076 176.870 0.047 0.000 1.076 342 L CA 1.734 56.609 54.840 0.058 0.000 0.749 342 L CB -0.379 41.746 42.059 0.111 0.000 0.893 342 L HN 0.298 nan 8.230 nan 0.000 0.432 343 M N -1.867 117.752 119.600 0.032 0.000 2.086 343 M HA -0.241 4.240 4.480 0.001 0.000 0.261 343 M C 2.425 178.803 176.300 0.129 0.000 1.067 343 M CA 1.788 57.135 55.300 0.079 0.000 1.116 343 M CB -1.405 31.198 32.600 0.005 0.000 1.348 343 M HN 0.239 nan 8.290 nan 0.000 0.407 344 Y N 0.897 121.230 120.300 0.055 0.000 2.224 344 Y HA -0.135 4.415 4.550 0.001 0.000 0.289 344 Y C 2.745 178.541 175.900 -0.173 0.000 1.146 344 Y CA 1.576 59.571 58.100 -0.175 0.000 1.182 344 Y CB -1.444 36.796 38.460 -0.368 0.000 0.983 344 Y HN 0.296 nan 8.280 nan 0.000 0.524 345 T N -0.034 114.552 114.554 0.053 0.000 2.788 345 T HA -0.138 4.212 4.350 0.001 0.000 0.268 345 T C 1.991 176.708 174.700 0.028 0.000 1.044 345 T CA 1.062 63.177 62.100 0.025 0.000 1.139 345 T CB -0.076 68.812 68.868 0.034 0.000 0.867 345 T HN 0.185 nan 8.240 nan 0.000 0.454 346 R N 0.792 121.328 120.500 0.060 0.000 2.096 346 R HA 0.058 4.398 4.340 0.001 0.000 0.235 346 R C 2.345 178.674 176.300 0.048 0.000 1.127 346 R CA 0.697 56.844 56.100 0.079 0.000 0.968 346 R CB -1.206 29.175 30.300 0.135 0.000 0.861 346 R HN 0.333 nan 8.270 nan 0.000 0.440 347 L N 1.047 122.264 121.223 -0.010 0.000 2.017 347 L HA -0.099 4.241 4.340 0.001 0.000 0.208 347 L C 2.159 178.974 176.870 -0.093 0.000 1.073 347 L CA 1.594 56.356 54.840 -0.130 0.000 0.745 347 L CB -0.535 41.198 42.059 -0.543 0.000 0.894 347 L HN 0.061 nan 8.230 nan 0.000 0.432 348 L N -0.798 120.378 121.223 -0.078 0.000 2.093 348 L HA -0.197 4.143 4.340 0.001 0.000 0.208 348 L C 2.320 179.177 176.870 -0.022 0.000 1.085 348 L CA 1.367 56.176 54.840 -0.052 0.000 0.755 348 L CB -0.531 41.501 42.059 -0.046 0.000 0.904 348 L HN 0.236 nan 8.230 nan 0.000 0.435 349 K N -0.031 120.365 120.400 -0.006 0.000 2.426 349 K HA 0.115 4.435 4.320 0.001 0.000 0.193 349 K C 1.009 177.617 176.600 0.013 0.000 1.028 349 K CA 0.518 56.810 56.287 0.007 0.000 1.047 349 K CB 0.214 32.725 32.500 0.018 0.000 0.821 349 K HN 0.365 nan 8.250 nan 0.000 0.513 350 G N 2.449 111.257 108.800 0.012 0.000 2.273 350 G HA2 -0.280 3.681 3.960 0.001 0.000 0.280 350 G HA3 -0.280 3.681 3.960 0.001 0.000 0.280 350 G C -0.348 174.572 174.900 0.033 0.000 1.047 350 G CA 0.418 45.531 45.100 0.021 0.000 0.869 350 G HN 0.387 nan 8.290 nan 0.000 0.502 351 E N -0.569 119.658 120.200 0.046 0.000 2.664 351 E HA 0.487 4.838 4.350 0.001 0.000 0.245 351 E C -0.414 176.229 176.600 0.071 0.000 1.016 351 E CA -1.036 55.397 56.400 0.054 0.000 0.963 351 E CB 0.771 30.506 29.700 0.058 0.000 1.360 351 E HN 0.192 nan 8.360 nan 0.000 0.472 352 D N 0.352 120.796 120.400 0.073 0.000 2.294 352 D HA 0.362 5.002 4.640 0.001 0.000 0.250 352 D C -0.494 175.882 176.300 0.125 0.000 1.058 352 D CA -0.087 53.960 54.000 0.079 0.000 0.950 352 D CB 1.026 41.853 40.800 0.046 0.000 1.158 352 D HN 0.203 nan 8.370 nan 0.000 0.453 353 I N 0.886 121.536 120.570 0.132 0.000 2.378 353 I HA 0.131 4.302 4.170 0.001 0.000 0.291 353 I C 0.126 176.320 176.117 0.128 0.000 0.992 353 I CA -0.419 61.000 61.300 0.198 0.000 1.154 353 I CB 1.755 39.873 38.000 0.197 0.000 1.315 353 I HN 0.017 nan 8.210 nan 0.000 0.448 354 T N 7.153 121.788 114.554 0.135 0.000 2.806 354 T HA 0.503 4.854 4.350 0.001 0.000 0.290 354 T C -0.060 174.499 174.700 -0.235 0.000 0.966 354 T CA -0.430 61.552 62.100 -0.196 0.000 1.060 354 T CB 0.613 69.193 68.868 -0.480 0.000 0.927 354 T HN 0.261 nan 8.240 nan 0.000 0.485 355 L N 3.718 124.741 121.223 -0.335 0.000 2.307 355 L HA 0.640 4.980 4.340 0.001 0.000 0.282 355 L C -0.808 175.821 176.870 -0.401 0.000 1.051 355 L CA -0.723 54.030 54.840 -0.145 0.000 0.804 355 L CB 0.625 42.663 42.059 -0.035 0.000 1.197 355 L HN 0.539 nan 8.230 nan 0.000 0.431 356 F N 0.050 120.132 119.950 0.221 0.000 2.576 356 F HA 0.349 4.876 4.527 0.001 0.000 0.313 356 F C 0.423 176.266 175.800 0.070 0.000 1.078 356 F CA -0.709 57.359 58.000 0.113 0.000 0.921 356 F CB 2.172 41.212 39.000 0.067 0.000 1.232 356 F HN 0.314 nan 8.300 nan 0.000 0.459 357 S N 2.633 118.420 115.700 0.145 0.000 2.523 357 S HA 0.274 4.744 4.470 0.001 0.000 0.275 357 S C -1.802 172.846 174.600 0.081 0.000 1.281 357 S CA -1.308 56.862 58.200 -0.050 0.000 1.050 357 S CB 1.005 64.171 63.200 -0.058 0.000 0.937 357 S HN 0.347 nan 8.310 nan 0.000 0.492 358 P HA -0.117 nan 4.420 nan 0.000 0.218 358 P C 1.461 178.789 177.300 0.048 0.000 1.146 358 P CA 1.190 64.412 63.100 0.204 0.000 0.813 358 P CB -0.084 31.690 31.700 0.124 0.000 0.778 359 S N -1.684 113.999 115.700 -0.028 0.000 2.474 359 S HA -0.117 4.353 4.470 0.001 0.000 0.235 359 S C 1.351 175.894 174.600 -0.096 0.000 0.997 359 S CA 1.169 59.323 58.200 -0.076 0.000 0.949 359 S CB -0.820 62.316 63.200 -0.107 0.000 0.766 359 S HN 0.099 nan 8.310 nan 0.000 0.517 360 D N 1.183 121.521 120.400 -0.104 0.000 2.360 360 D HA 0.148 4.789 4.640 0.001 0.000 0.210 360 D C 0.321 176.397 176.300 -0.374 0.000 1.047 360 D CA 0.361 54.259 54.000 -0.171 0.000 0.854 360 D CB 1.028 41.770 40.800 -0.097 0.000 0.936 360 D HN 0.504 nan 8.370 nan 0.000 0.514 361 V N -0.781 118.892 119.914 -0.401 0.000 2.315 361 V HA 0.435 4.556 4.120 0.001 0.000 0.265 361 V C -2.906 172.969 176.094 -0.365 0.000 1.019 361 V CA -2.294 59.536 62.300 -0.782 0.000 0.824 361 V CB 0.936 32.264 31.823 -0.825 0.000 1.072 361 V HN -0.276 nan 8.190 nan 0.000 0.448 362 P HA 0.259 nan 4.420 nan 0.000 0.261 362 P C 1.312 178.695 177.300 0.138 0.000 1.183 362 P CA 2.006 65.109 63.100 0.004 0.000 0.761 362 P CB 0.753 32.470 31.700 0.029 0.000 0.785 363 G N 2.803 111.692 108.800 0.148 0.000 2.245 363 G HA2 -0.335 3.626 3.960 0.001 0.000 0.264 363 G HA3 -0.335 3.626 3.960 0.001 0.000 0.264 363 G C 0.879 175.920 174.900 0.234 0.000 0.985 363 G CA 0.212 45.422 45.100 0.183 0.000 0.625 363 G HN 0.529 nan 8.290 nan 0.000 0.536 364 L N -0.830 120.529 121.223 0.227 0.000 2.017 364 L HA -0.026 4.314 4.340 0.001 0.000 0.208 364 L C 2.429 179.568 176.870 0.449 0.000 1.073 364 L CA 2.685 57.639 54.840 0.190 0.000 0.745 364 L CB -0.493 41.513 42.059 -0.088 0.000 0.894 364 L HN 0.471 nan 8.230 nan 0.000 0.432 365 Y N 1.138 121.715 120.300 0.461 0.000 2.128 365 Y HA -0.322 4.229 4.550 0.001 0.000 0.284 365 Y C 2.335 178.648 175.900 0.688 0.000 1.154 365 Y CA 2.108 60.632 58.100 0.707 0.000 1.149 365 Y CB -0.197 38.618 38.460 0.591 0.000 0.976 365 Y HN 0.291 nan 8.280 nan 0.000 0.505 366 D N 0.020 120.760 120.400 0.568 0.000 2.097 366 D HA -0.190 4.450 4.640 0.001 0.000 0.195 366 D C 2.277 178.788 176.300 0.351 0.000 0.989 366 D CA 1.618 55.870 54.000 0.420 0.000 0.827 366 D CB -0.695 40.289 40.800 0.306 0.000 0.966 366 D HN 0.472 nan 8.370 nan 0.000 0.456 367 A N 0.281 123.303 122.820 0.336 0.000 1.972 367 A HA -0.162 4.158 4.320 0.001 0.000 0.219 367 A C 2.020 179.773 177.584 0.283 0.000 1.169 367 A CA 0.753 52.968 52.037 0.297 0.000 0.635 367 A CB -0.919 18.262 19.000 0.301 0.000 0.810 367 A HN 0.221 nan 8.150 nan 0.000 0.446 368 F N 0.019 120.028 119.950 0.099 0.000 2.154 368 F HA -0.190 4.337 4.527 0.001 0.000 0.301 368 F C 1.641 177.099 175.800 -0.570 0.000 1.087 368 F CA 1.576 59.298 58.000 -0.463 0.000 1.274 368 F CB -0.438 38.309 39.000 -0.421 0.000 1.009 368 F HN 0.253 nan 8.300 nan 0.000 0.485 369 F N -0.732 119.108 119.950 -0.184 0.000 2.317 369 F HA 0.236 4.764 4.527 0.001 0.000 0.290 369 F C 2.421 178.142 175.800 -0.131 0.000 1.075 369 F CA 0.852 58.699 58.000 -0.255 0.000 1.380 369 F CB -1.187 37.696 39.000 -0.195 0.000 1.093 369 F HN -0.052 nan 8.300 nan 0.000 0.524 370 A N -1.894 121.011 122.820 0.142 0.000 2.044 370 A HA 0.079 4.399 4.320 0.001 0.000 0.213 370 A C 0.002 177.626 177.584 0.067 0.000 1.169 370 A CA 0.896 52.993 52.037 0.099 0.000 0.724 370 A CB 0.050 19.117 19.000 0.111 0.000 0.840 370 A HN 0.196 nan 8.150 nan 0.000 0.463 371 D N -1.213 119.231 120.400 0.073 0.000 2.365 371 D HA 0.205 4.846 4.640 0.001 0.000 0.235 371 D C 0.271 176.632 176.300 0.101 0.000 1.368 371 D CA -0.275 53.771 54.000 0.076 0.000 1.001 371 D CB 0.897 41.749 40.800 0.086 0.000 1.364 371 D HN -0.052 nan 8.370 nan 0.000 0.577 372 Q N 1.520 121.362 119.800 0.069 0.000 2.167 372 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 372 Q C 1.250 177.334 176.000 0.140 0.000 0.970 372 Q CA 1.070 56.930 55.803 0.096 0.000 0.855 372 Q CB 0.325 29.092 28.738 0.049 0.000 0.911 372 Q HN 0.663 nan 8.270 nan 0.000 0.438 373 E N 0.514 120.768 120.200 0.091 0.000 2.047 373 E HA -0.203 4.148 4.350 0.001 0.000 0.191 373 E C 1.860 178.500 176.600 0.066 0.000 0.987 373 E CA 1.043 57.484 56.400 0.068 0.000 0.799 373 E CB 0.096 29.820 29.700 0.040 0.000 0.752 373 E HN 0.228 nan 8.360 nan 0.000 0.449 374 E N 0.521 120.767 120.200 0.077 0.000 2.150 374 E HA -0.180 4.170 4.350 0.001 0.000 0.193 374 E C 1.639 178.285 176.600 0.077 0.000 0.985 374 E CA 0.753 57.189 56.400 0.059 0.000 0.814 374 E CB -0.298 29.443 29.700 0.069 0.000 0.752 374 E HN 0.209 nan 8.360 nan 0.000 0.466 375 F N 1.304 121.259 119.950 0.008 0.000 2.102 375 F HA -0.094 4.434 4.527 0.001 0.000 0.298 375 F C 2.209 178.004 175.800 -0.009 0.000 1.105 375 F CA 2.008 60.011 58.000 0.006 0.000 1.239 375 F CB -0.176 38.845 39.000 0.034 0.000 0.991 375 F HN 0.093 nan 8.300 nan 0.000 0.474 376 E N 0.076 120.316 120.200 0.067 0.000 2.106 376 E HA -0.244 4.106 4.350 0.001 0.000 0.192 376 E C 2.492 179.041 176.600 -0.086 0.000 0.984 376 E CA 0.768 57.159 56.400 -0.014 0.000 0.806 376 E CB -0.188 29.554 29.700 0.070 0.000 0.750 376 E HN 0.380 nan 8.360 nan 0.000 0.458 377 R N 0.326 120.772 120.500 -0.089 0.000 2.073 377 R HA -0.123 4.217 4.340 0.001 0.000 0.234 377 R C 2.456 178.601 176.300 -0.258 0.000 1.134 377 R CA 1.118 57.139 56.100 -0.133 0.000 0.952 377 R CB -0.139 30.102 30.300 -0.099 0.000 0.850 377 R HN 0.200 nan 8.270 nan 0.000 0.433 378 L N -0.745 120.282 121.223 -0.327 0.000 2.109 378 L HA -0.144 4.197 4.340 0.001 0.000 0.207 378 L C 2.328 178.799 176.870 -0.665 0.000 1.086 378 L CA 0.939 55.431 54.840 -0.581 0.000 0.760 378 L CB -0.581 41.236 42.059 -0.405 0.000 0.910 378 L HN 0.223 nan 8.230 nan 0.000 0.437 379 Y N 1.430 121.326 120.300 -0.673 0.000 2.097 379 Y HA -0.332 4.218 4.550 0.001 0.000 0.282 379 Y C 3.014 178.729 175.900 -0.309 0.000 1.152 379 Y CA 2.359 60.093 58.100 -0.611 0.000 1.136 379 Y CB -0.512 37.454 38.460 -0.823 0.000 0.975 379 Y HN 0.299 nan 8.280 nan 0.000 0.498 380 T N -1.623 112.848 114.554 -0.138 0.000 2.788 380 T HA -0.221 4.129 4.350 0.001 0.000 0.268 380 T C 1.957 176.552 174.700 -0.175 0.000 1.044 380 T CA 1.595 63.630 62.100 -0.109 0.000 1.139 380 T CB -0.485 68.357 68.868 -0.043 0.000 0.867 380 T HN 0.364 nan 8.240 nan 0.000 0.454 381 K N -0.064 120.164 120.400 -0.286 0.000 2.026 381 K HA -0.159 4.161 4.320 0.001 0.000 0.208 381 K C 2.025 178.462 176.600 -0.271 0.000 1.048 381 K CA 1.475 57.565 56.287 -0.328 0.000 0.929 381 K CB -0.329 31.867 32.500 -0.507 0.000 0.713 381 K HN 0.396 nan 8.250 nan 0.000 0.439 382 Y N 1.477 121.611 120.300 -0.275 0.000 2.373 382 Y HA -0.029 4.522 4.550 0.001 0.000 0.293 382 Y C 2.048 177.890 175.900 -0.096 0.000 1.129 382 Y CA 0.749 58.659 58.100 -0.316 0.000 1.226 382 Y CB -0.321 37.693 38.460 -0.743 0.000 1.000 382 Y HN 0.223 nan 8.280 nan 0.000 0.549 383 E N 0.024 120.252 120.200 0.046 0.000 2.085 383 E HA -0.222 4.128 4.350 0.001 0.000 0.194 383 E C 1.883 178.496 176.600 0.021 0.000 0.994 383 E CA 1.279 57.711 56.400 0.054 0.000 0.801 383 E CB -0.007 29.640 29.700 -0.089 0.000 0.743 383 E HN 0.188 nan 8.360 nan 0.000 0.453 384 K N 0.951 121.346 120.400 -0.009 0.000 2.155 384 K HA -0.047 4.273 4.320 0.001 0.000 0.203 384 K C 0.328 176.933 176.600 0.007 0.000 1.052 384 K CA 0.424 56.704 56.287 -0.011 0.000 0.948 384 K CB -0.142 32.339 32.500 -0.032 0.000 0.728 384 K HN -0.022 nan 8.250 nan 0.000 0.448 385 D N 1.116 121.534 120.400 0.030 0.000 2.346 385 D HA -0.044 4.597 4.640 0.001 0.000 0.260 385 D C 0.053 176.377 176.300 0.041 0.000 1.252 385 D CA 0.215 54.240 54.000 0.041 0.000 0.895 385 D CB 0.560 41.408 40.800 0.079 0.000 1.097 385 D HN 0.022 nan 8.370 nan 0.000 0.489 386 D N 1.708 122.120 120.400 0.020 0.000 2.269 386 D HA -0.138 4.502 4.640 0.001 0.000 0.208 386 D C 1.759 178.066 176.300 0.010 0.000 0.963 386 D CA 0.697 54.704 54.000 0.011 0.000 0.864 386 D CB 0.151 40.952 40.800 0.002 0.000 0.936 386 D HN 0.496 nan 8.370 nan 0.000 0.505 387 S N 0.043 115.750 115.700 0.011 0.000 2.461 387 S HA -0.031 4.439 4.470 0.001 0.000 0.228 387 S C 1.082 175.681 174.600 -0.001 0.000 1.005 387 S CA -0.057 58.144 58.200 0.002 0.000 0.942 387 S CB 0.044 63.243 63.200 -0.002 0.000 0.776 387 S HN 0.012 nan 8.310 nan 0.000 0.514 388 I N 3.087 123.665 120.570 0.014 0.000 2.416 388 I HA 0.283 4.453 4.170 0.001 0.000 0.288 388 I C 0.800 176.948 176.117 0.051 0.000 1.051 388 I CA -0.253 61.058 61.300 0.019 0.000 1.375 388 I CB 0.297 38.316 38.000 0.032 0.000 1.407 388 I HN 0.292 nan 8.210 nan 0.000 0.516 389 R N 7.232 127.749 120.500 0.029 0.000 2.570 389 R HA 0.171 4.511 4.340 0.001 0.000 0.277 389 R C -0.447 175.864 176.300 0.019 0.000 1.039 389 R CA 0.296 56.404 56.100 0.012 0.000 1.065 389 R CB 0.496 30.792 30.300 -0.007 0.000 0.964 389 R HN 0.848 nan 8.270 nan 0.000 0.428 390 K N 2.218 122.573 120.400 -0.075 0.000 2.597 390 K HA 0.221 4.542 4.320 0.001 0.000 0.282 390 K C -1.788 174.694 176.600 -0.198 0.000 0.975 390 K CA -1.083 55.058 56.287 -0.243 0.000 0.867 390 K CB 1.582 33.844 32.500 -0.397 0.000 1.465 390 K HN 0.499 nan 8.250 nan 0.000 0.417 391 Q N 1.678 121.335 119.800 -0.239 0.000 2.356 391 Q HA 0.394 4.734 4.340 0.001 0.000 0.270 391 Q C -1.312 174.587 176.000 -0.168 0.000 1.058 391 Q CA -0.929 54.782 55.803 -0.154 0.000 0.802 391 Q CB 2.094 30.773 28.738 -0.098 0.000 1.303 391 Q HN 0.622 nan 8.270 nan 0.000 0.444 392 R N 1.322 121.754 120.500 -0.113 0.000 2.460 392 R HA 0.572 4.913 4.340 0.001 0.000 0.303 392 R C -0.566 175.711 176.300 -0.039 0.000 0.968 392 R CA -0.515 55.536 56.100 -0.082 0.000 0.889 392 R CB 1.648 31.907 30.300 -0.069 0.000 1.123 392 R HN 0.477 nan 8.270 nan 0.000 0.455 393 V N -0.751 119.156 119.914 -0.012 0.000 3.040 393 V HA 0.564 4.684 4.120 0.001 0.000 0.312 393 V C -0.653 175.462 176.094 0.035 0.000 1.115 393 V CA -1.444 60.861 62.300 0.009 0.000 0.998 393 V CB 2.088 33.917 31.823 0.010 0.000 1.042 393 V HN 0.492 nan 8.190 nan 0.000 0.433 394 K N 1.988 122.412 120.400 0.040 0.000 2.368 394 K HA 0.610 4.931 4.320 0.001 0.000 0.282 394 K C 1.219 177.878 176.600 0.098 0.000 1.035 394 K CA 0.661 56.984 56.287 0.060 0.000 0.973 394 K CB 1.206 33.735 32.500 0.049 0.000 0.957 394 K HN 0.927 nan 8.250 nan 0.000 0.474 395 A N 3.098 125.998 122.820 0.133 0.000 1.908 395 A HA -0.151 4.170 4.320 0.001 0.000 0.218 395 A C 1.942 179.699 177.584 0.289 0.000 1.181 395 A CA 1.736 53.914 52.037 0.235 0.000 0.627 395 A CB -0.519 18.615 19.000 0.223 0.000 0.818 395 A HN 0.507 nan 8.150 nan 0.000 0.445 396 V N 0.031 120.041 119.914 0.160 0.000 2.407 396 V HA -0.268 3.853 4.120 0.001 0.000 0.248 396 V C 2.383 178.560 176.094 0.138 0.000 1.055 396 V CA 2.297 64.674 62.300 0.129 0.000 1.049 396 V CB -0.802 31.059 31.823 0.064 0.000 0.662 396 V HN 0.650 nan 8.190 nan 0.000 0.455 397 E N -0.337 119.927 120.200 0.106 0.000 2.072 397 E HA -0.184 4.167 4.350 0.001 0.000 0.190 397 E C 2.125 178.769 176.600 0.074 0.000 0.982 397 E CA 1.035 57.479 56.400 0.073 0.000 0.803 397 E CB -0.186 29.541 29.700 0.045 0.000 0.755 397 E HN 0.385 nan 8.360 nan 0.000 0.453 398 L N 0.325 121.596 121.223 0.079 0.000 2.017 398 L HA -0.140 4.201 4.340 0.001 0.000 0.208 398 L C 1.982 178.842 176.870 -0.017 0.000 1.073 398 L CA 1.647 56.494 54.840 0.011 0.000 0.745 398 L CB -0.506 41.537 42.059 -0.027 0.000 0.894 398 L HN 0.027 nan 8.230 nan 0.000 0.432 399 F N -0.486 119.477 119.950 0.022 0.000 2.126 399 F HA -0.228 4.299 4.527 0.001 0.000 0.299 399 F C 2.617 178.432 175.800 0.025 0.000 1.096 399 F CA 1.773 59.788 58.000 0.026 0.000 1.255 399 F CB -0.740 38.280 39.000 0.033 0.000 0.997 399 F HN 0.057 nan 8.300 nan 0.000 0.479 400 S N 0.121 115.937 115.700 0.193 0.000 2.368 400 S HA -0.177 4.294 4.470 0.001 0.000 0.225 400 S C 1.939 176.572 174.600 0.054 0.000 1.030 400 S CA 1.113 59.374 58.200 0.101 0.000 0.999 400 S CB -0.602 62.639 63.200 0.068 0.000 0.844 400 S HN 0.264 nan 8.310 nan 0.000 0.459 401 L N 1.759 123.005 121.223 0.038 0.000 2.017 401 L HA 0.026 4.367 4.340 0.001 0.000 0.208 401 L C 2.236 179.108 176.870 0.004 0.000 1.073 401 L CA 1.750 56.595 54.840 0.008 0.000 0.745 401 L CB -0.659 41.397 42.059 -0.005 0.000 0.894 401 L HN 0.334 nan 8.230 nan 0.000 0.432 402 M N -1.523 118.078 119.600 0.002 0.000 2.065 402 M HA -0.268 4.212 4.480 0.001 0.000 0.259 402 M C 2.003 178.322 176.300 0.031 0.000 1.069 402 M CA 2.045 57.347 55.300 0.003 0.000 1.110 402 M CB -0.055 32.523 32.600 -0.038 0.000 1.328 402 M HN 0.287 nan 8.290 nan 0.000 0.405 403 M N -0.152 119.484 119.600 0.060 0.000 2.319 403 M HA -0.167 4.313 4.480 0.001 0.000 0.265 403 M C 2.103 178.411 176.300 0.013 0.000 1.068 403 M CA 1.503 56.839 55.300 0.059 0.000 1.118 403 M CB -1.613 31.038 32.600 0.084 0.000 1.395 403 M HN 0.532 nan 8.290 nan 0.000 0.435 404 Q N 0.668 120.470 119.800 0.004 0.000 2.020 404 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 404 Q C 1.625 177.617 176.000 -0.014 0.000 0.982 404 Q CA 1.449 57.243 55.803 -0.015 0.000 0.838 404 Q CB 0.098 28.829 28.738 -0.013 0.000 0.899 404 Q HN 0.364 nan 8.270 nan 0.000 0.423 405 E N 0.624 120.818 120.200 -0.010 0.000 2.106 405 E HA -0.185 4.166 4.350 0.001 0.000 0.192 405 E C 2.002 178.593 176.600 -0.015 0.000 0.984 405 E CA 0.923 57.314 56.400 -0.016 0.000 0.806 405 E CB -0.301 29.387 29.700 -0.020 0.000 0.750 405 E HN 0.382 nan 8.360 nan 0.000 0.458 406 R N 0.718 121.217 120.500 -0.003 0.000 2.083 406 R HA -0.132 4.209 4.340 0.001 0.000 0.237 406 R C 2.197 178.507 176.300 0.017 0.000 1.137 406 R CA 1.610 57.715 56.100 0.007 0.000 0.951 406 R CB -0.183 30.148 30.300 0.052 0.000 0.851 406 R HN 0.135 nan 8.270 nan 0.000 0.434 407 A N 0.312 123.137 122.820 0.009 0.000 1.898 407 A HA -0.158 4.163 4.320 0.001 0.000 0.216 407 A C 2.192 179.780 177.584 0.006 0.000 1.181 407 A CA 1.853 53.892 52.037 0.004 0.000 0.620 407 A CB -0.626 18.345 19.000 -0.048 0.000 0.819 407 A HN 0.622 nan 8.150 nan 0.000 0.442 408 S N -0.466 115.230 115.700 -0.007 0.000 2.387 408 S HA -0.142 4.328 4.470 0.001 0.000 0.226 408 S C 1.915 176.514 174.600 -0.003 0.000 1.026 408 S CA 1.899 60.095 58.200 -0.007 0.000 0.972 408 S CB -1.032 62.160 63.200 -0.014 0.000 0.814 408 S HN 0.782 nan 8.310 nan 0.000 0.477 409 T N -2.966 111.582 114.554 -0.010 0.000 3.039 409 T HA 0.467 4.817 4.350 0.001 0.000 0.250 409 T C 1.852 176.543 174.700 -0.015 0.000 1.052 409 T CA 0.971 63.061 62.100 -0.017 0.000 1.125 409 T CB -0.568 68.280 68.868 -0.034 0.000 0.908 409 T HN 1.210 nan 8.240 nan 0.000 0.473 410 G N 2.410 111.205 108.800 -0.008 0.000 2.184 410 G HA2 -0.266 3.694 3.960 0.001 0.000 0.264 410 G HA3 -0.266 3.694 3.960 0.001 0.000 0.264 410 G C 0.841 175.708 174.900 -0.054 0.000 0.975 410 G CA 0.307 45.413 45.100 0.009 0.000 0.642 410 G HN 0.620 nan 8.290 nan 0.000 0.536 411 R N -0.326 120.064 120.500 -0.182 0.000 2.629 411 R HA 0.356 4.696 4.340 0.001 0.000 0.408 411 R C 0.017 175.838 176.300 -0.799 0.000 1.057 411 R CA -0.293 55.503 56.100 -0.507 0.000 1.119 411 R CB 0.654 30.799 30.300 -0.257 0.000 1.403 411 R HN 0.349 nan 8.270 nan 0.000 0.576 412 I N 2.132 122.420 120.570 -0.469 0.000 2.307 412 I HA 0.295 4.466 4.170 0.001 0.000 0.289 412 I C -0.183 175.798 176.117 -0.227 0.000 1.021 412 I CA -1.284 59.822 61.300 -0.324 0.000 1.224 412 I CB 0.061 38.008 38.000 -0.087 0.000 1.376 412 I HN -0.061 nan 8.210 nan 0.000 0.470 413 Y N 6.205 126.544 120.300 0.064 0.000 2.488 413 Y HA 0.591 5.142 4.550 0.001 0.000 0.325 413 Y C 0.219 176.187 175.900 0.113 0.000 1.204 413 Y CA -1.369 56.797 58.100 0.110 0.000 1.229 413 Y CB 1.062 39.609 38.460 0.145 0.000 1.274 413 Y HN 0.299 nan 8.280 nan 0.000 0.493 414 I N 1.121 121.909 120.570 0.364 0.000 2.433 414 I HA 0.321 4.491 4.170 0.001 0.000 0.292 414 I C -0.644 175.656 176.117 0.306 0.000 1.001 414 I CA -0.607 60.867 61.300 0.290 0.000 1.119 414 I CB 1.850 40.032 38.000 0.303 0.000 1.289 414 I HN 0.505 nan 8.210 nan 0.000 0.438 415 Q N 5.488 125.454 119.800 0.277 0.000 2.327 415 Q HA 0.409 4.749 4.340 0.001 0.000 0.270 415 Q C -1.276 174.837 176.000 0.188 0.000 1.022 415 Q CA -0.743 55.206 55.803 0.243 0.000 0.773 415 Q CB 1.104 29.995 28.738 0.255 0.000 1.251 415 Q HN 0.506 nan 8.270 nan 0.000 0.457 416 N N 4.273 123.091 118.700 0.197 0.000 2.508 416 N HA 0.025 4.765 4.740 0.001 0.000 0.253 416 N C 1.060 176.588 175.510 0.030 0.000 1.145 416 N CA 0.105 53.250 53.050 0.158 0.000 0.973 416 N CB 1.390 40.001 38.487 0.207 0.000 1.305 416 N HN 0.582 nan 8.380 nan 0.000 0.506 417 V N -0.388 119.457 119.914 -0.115 0.000 2.626 417 V HA -0.179 3.942 4.120 0.001 0.000 0.252 417 V C 1.617 177.604 176.094 -0.178 0.000 1.067 417 V CA 1.395 63.586 62.300 -0.182 0.000 1.081 417 V CB -0.332 31.209 31.823 -0.469 0.000 0.686 417 V HN 0.372 nan 8.190 nan 0.000 0.468 418 D N 0.088 120.358 120.400 -0.216 0.000 2.084 418 D HA -0.257 4.383 4.640 0.001 0.000 0.196 418 D C 1.960 178.291 176.300 0.052 0.000 0.985 418 D CA 2.141 56.076 54.000 -0.108 0.000 0.826 418 D CB -0.944 39.805 40.800 -0.085 0.000 0.978 418 D HN 0.506 nan 8.370 nan 0.000 0.456 419 H N 0.155 119.221 119.070 -0.007 0.000 2.390 419 H HA -0.034 4.522 4.556 0.001 0.000 0.298 419 H C 2.334 177.677 175.328 0.026 0.000 1.106 419 H CA 0.824 56.858 56.048 -0.022 0.000 1.297 419 H CB -0.940 28.782 29.762 -0.067 0.000 1.375 419 H HN 0.299 nan 8.280 nan 0.000 0.509 420 C N 0.565 119.954 119.300 0.148 0.000 2.437 420 C HA -0.023 4.437 4.460 0.001 0.000 0.283 420 C C 2.137 177.173 174.990 0.076 0.000 1.424 420 C CA 0.612 59.686 59.018 0.094 0.000 1.782 420 C CB -0.509 27.271 27.740 0.067 0.000 1.833 420 C HN 0.599 nan 8.230 nan 0.000 0.532 421 N N -0.485 118.258 118.700 0.071 0.000 2.317 421 N HA -0.033 4.707 4.740 0.001 0.000 0.199 421 N C 1.740 177.280 175.510 0.050 0.000 1.145 421 N CA 1.252 54.338 53.050 0.059 0.000 0.882 421 N CB -0.078 38.441 38.487 0.052 0.000 1.113 421 N HN 0.641 nan 8.380 nan 0.000 0.486 422 T N -2.186 112.407 114.554 0.065 0.000 3.054 422 T HA -0.028 4.322 4.350 0.001 0.000 0.259 422 T C 0.599 175.343 174.700 0.073 0.000 1.092 422 T CA 0.881 63.013 62.100 0.053 0.000 1.121 422 T CB -0.144 68.756 68.868 0.053 0.000 0.912 422 T HN 0.083 nan 8.240 nan 0.000 0.489 423 H N 0.821 119.867 119.070 -0.040 0.000 2.675 423 H HA 0.679 5.235 4.556 0.001 0.000 0.258 423 H C -1.179 174.122 175.328 -0.046 0.000 1.271 423 H CA -0.806 55.199 56.048 -0.072 0.000 1.462 423 H CB 0.423 30.123 29.762 -0.103 0.000 1.467 423 H HN 0.243 nan 8.280 nan 0.000 0.501 424 S N 4.327 119.893 115.700 -0.223 0.000 2.535 424 S HA 0.274 4.745 4.470 0.001 0.000 0.272 424 S C -2.424 172.017 174.600 -0.264 0.000 1.149 424 S CA -1.170 56.925 58.200 -0.176 0.000 0.888 424 S CB 1.482 64.687 63.200 0.009 0.000 1.110 424 S HN 0.384 nan 8.310 nan 0.000 0.463 425 P HA 0.133 nan 4.420 nan 0.000 0.239 425 P C -0.355 176.564 177.300 -0.635 0.000 1.184 425 P CA 0.590 63.358 63.100 -0.554 0.000 0.760 425 P CB -0.304 31.117 31.700 -0.464 0.000 0.884 426 F N 0.269 120.178 119.950 -0.068 0.000 2.495 426 F HA 0.311 4.838 4.527 0.001 0.000 0.327 426 F C 0.788 176.551 175.800 -0.061 0.000 1.103 426 F CA -1.446 56.528 58.000 -0.044 0.000 0.949 426 F CB 0.807 39.797 39.000 -0.017 0.000 1.142 426 F HN -0.327 nan 8.300 nan 0.000 0.457 427 D N 5.158 125.633 120.400 0.125 0.000 2.346 427 D HA 0.120 4.760 4.640 0.001 0.000 0.260 427 D C -1.592 174.747 176.300 0.066 0.000 1.252 427 D CA -2.192 51.840 54.000 0.053 0.000 0.895 427 D CB 1.221 42.029 40.800 0.014 0.000 1.097 427 D HN 0.155 nan 8.370 nan 0.000 0.489 428 P HA -0.062 nan 4.420 nan 0.000 0.226 428 P C 0.896 178.216 177.300 0.033 0.000 1.153 428 P CA 0.457 63.584 63.100 0.045 0.000 0.777 428 P CB 0.226 31.956 31.700 0.050 0.000 0.794 429 A N -0.339 122.497 122.820 0.025 0.000 2.014 429 A HA -0.053 4.268 4.320 0.001 0.000 0.218 429 A C 2.131 179.716 177.584 0.002 0.000 1.163 429 A CA 1.125 53.173 52.037 0.018 0.000 0.652 429 A CB -1.020 17.987 19.000 0.012 0.000 0.808 429 A HN 0.195 nan 8.150 nan 0.000 0.449 430 I N -2.487 118.080 120.570 -0.006 0.000 3.194 430 I HA 0.237 4.408 4.170 0.001 0.000 0.271 430 I C 1.164 177.248 176.117 -0.054 0.000 1.150 430 I CA 0.782 62.062 61.300 -0.034 0.000 1.440 430 I CB 0.307 38.285 38.000 -0.037 0.000 1.276 430 I HN 0.179 nan 8.210 nan 0.000 0.457 431 A N 2.839 125.641 122.820 -0.030 0.000 3.216 431 A HA 0.486 4.806 4.320 0.001 0.000 0.321 431 A C -2.651 174.871 177.584 -0.103 0.000 1.042 431 A CA -1.140 50.844 52.037 -0.088 0.000 0.838 431 A CB -0.392 18.561 19.000 -0.077 0.000 1.136 431 A HN -0.059 nan 8.150 nan 0.000 0.483 432 P HA 0.210 nan 4.420 nan 0.000 0.272 432 P C -0.156 177.042 177.300 -0.169 0.000 1.223 432 P CA 0.109 63.164 63.100 -0.075 0.000 0.784 432 P CB 1.391 33.063 31.700 -0.047 0.000 0.923 433 V N 4.915 124.757 119.914 -0.119 0.000 2.368 433 V HA 0.221 4.341 4.120 0.001 0.000 0.266 433 V C 1.563 177.529 176.094 -0.213 0.000 1.045 433 V CA 0.005 62.208 62.300 -0.161 0.000 0.899 433 V CB 0.252 32.043 31.823 -0.053 0.000 1.006 433 V HN 0.534 nan 8.190 nan 0.000 0.470 434 R N 4.056 124.321 120.500 -0.391 0.000 2.508 434 R HA 0.271 4.612 4.340 0.001 0.000 0.300 434 R C 0.254 176.288 176.300 -0.444 0.000 0.970 434 R CA -0.087 55.546 56.100 -0.779 0.000 1.102 434 R CB 0.800 30.420 30.300 -1.134 0.000 1.246 434 R HN 0.900 nan 8.270 nan 0.000 0.539 435 Q N -1.814 117.757 119.800 -0.380 0.000 2.869 435 Q HA 0.454 4.794 4.340 0.001 0.000 0.322 435 Q C -1.262 174.309 176.000 -0.715 0.000 0.832 435 Q CA -0.822 54.589 55.803 -0.653 0.000 0.791 435 Q CB 1.380 29.767 28.738 -0.586 0.000 1.412 435 Q HN -0.083 nan 8.270 nan 0.000 0.483 436 S N -0.613 114.338 115.700 -1.248 0.000 2.900 436 S HA 0.582 5.052 4.470 0.001 0.000 0.320 436 S C -1.223 173.215 174.600 -0.269 0.000 1.130 436 S CA -0.197 57.668 58.200 -0.557 0.000 0.863 436 S CB 1.150 64.198 63.200 -0.252 0.000 1.295 436 S HN 0.821 nan 8.310 nan 0.000 0.596 437 N N 0.488 119.194 118.700 0.011 0.000 2.776 437 N HA 0.219 4.959 4.740 0.001 0.000 0.319 437 N C 1.034 176.661 175.510 0.195 0.000 1.316 437 N CA -0.545 52.559 53.050 0.090 0.000 0.890 437 N CB -0.524 37.959 38.487 -0.006 0.000 1.165 437 N HN 0.508 nan 8.380 nan 0.000 0.596 438 L N 0.029 121.307 121.223 0.093 0.000 2.042 438 L HA -0.039 4.301 4.340 0.001 0.000 0.210 438 L C 1.576 178.453 176.870 0.012 0.000 1.076 438 L CA 1.839 56.727 54.840 0.081 0.000 0.749 438 L CB -0.475 41.619 42.059 0.058 0.000 0.893 438 L HN 0.691 nan 8.230 nan 0.000 0.432 439 C N -0.324 118.878 119.300 -0.164 0.000 2.855 439 C HA 0.370 4.830 4.460 0.001 0.000 0.279 439 C C 1.131 175.645 174.990 -0.795 0.000 1.270 439 C CA -0.724 57.913 59.018 -0.636 0.000 1.702 439 C CB -0.689 26.746 27.740 -0.509 0.000 1.949 439 C HN 0.598 nan 8.230 nan 0.000 0.618 440 L N 1.667 122.707 121.223 -0.305 0.000 4.560 440 L HA -0.165 4.175 4.340 0.001 0.000 0.415 440 L C 1.738 178.534 176.870 -0.122 0.000 1.123 440 L CA 1.624 56.379 54.840 -0.142 0.000 0.991 440 L CB -1.805 40.170 42.059 -0.141 0.000 2.127 440 L HN 0.641 nan 8.230 nan 0.000 0.765 441 E N -0.796 119.319 120.200 -0.142 0.000 2.473 441 E HA 0.107 4.457 4.350 0.001 0.000 0.204 441 E C 0.812 177.389 176.600 -0.038 0.000 0.994 441 E CA -0.060 56.292 56.400 -0.079 0.000 0.945 441 E CB 0.640 30.287 29.700 -0.089 0.000 0.990 441 E HN 0.431 nan 8.360 nan 0.000 0.493 442 I N 2.109 122.652 120.570 -0.045 0.000 2.385 442 I HA 0.459 4.630 4.170 0.001 0.000 0.294 442 I C -0.202 175.890 176.117 -0.041 0.000 0.988 442 I CA -0.772 60.511 61.300 -0.028 0.000 1.265 442 I CB 1.220 39.199 38.000 -0.035 0.000 1.388 442 I HN 0.088 nan 8.210 nan 0.000 0.480 443 A N 8.271 131.086 122.820 -0.008 0.000 2.651 443 A HA 0.749 5.069 4.320 0.001 0.000 0.290 443 A C -0.971 176.620 177.584 0.013 0.000 1.185 443 A CA -0.385 51.640 52.037 -0.020 0.000 0.746 443 A CB 0.644 19.655 19.000 0.019 0.000 1.213 443 A HN 0.616 nan 8.150 nan 0.000 0.429 444 L N 1.912 123.075 121.223 -0.101 0.000 2.393 444 L HA 0.578 4.918 4.340 0.001 0.000 0.260 444 L C -2.647 174.019 176.870 -0.340 0.000 1.002 444 L CA -2.463 52.252 54.840 -0.208 0.000 0.818 444 L CB 2.973 44.969 42.059 -0.105 0.000 1.369 444 L HN 0.336 nan 8.230 nan 0.000 0.412 445 P HA 0.269 nan 4.420 nan 0.000 0.272 445 P C -0.940 176.225 177.300 -0.224 0.000 1.223 445 P CA -0.199 62.660 63.100 -0.402 0.000 0.784 445 P CB 0.932 32.334 31.700 -0.497 0.000 0.923 446 T N -1.404 113.047 114.554 -0.173 0.000 2.841 446 T HA 0.696 5.046 4.350 0.001 0.000 0.296 446 T C -1.179 173.475 174.700 -0.076 0.000 1.166 446 T CA -0.978 61.059 62.100 -0.105 0.000 1.007 446 T CB 1.915 70.716 68.868 -0.112 0.000 1.253 446 T HN 0.324 nan 8.240 nan 0.000 0.511 447 K N 1.158 121.535 120.400 -0.037 0.000 2.535 447 K HA 0.515 4.835 4.320 0.001 0.000 0.251 447 K C -3.121 173.477 176.600 -0.004 0.000 0.942 447 K CA -2.081 54.193 56.287 -0.022 0.000 0.798 447 K CB 2.208 34.698 32.500 -0.018 0.000 1.267 447 K HN 0.348 nan 8.250 nan 0.000 0.434 448 P HA 0.017 nan 4.420 nan 0.000 0.267 448 P C -0.999 176.314 177.300 0.022 0.000 1.200 448 P CA -0.301 62.807 63.100 0.013 0.000 0.772 448 P CB 0.447 32.157 31.700 0.017 0.000 0.855 449 L N 3.400 124.642 121.223 0.031 0.000 2.343 449 L HA 0.324 4.665 4.340 0.001 0.000 0.275 449 L C 1.455 178.351 176.870 0.044 0.000 1.056 449 L CA 0.476 55.339 54.840 0.039 0.000 0.804 449 L CB 0.299 42.386 42.059 0.047 0.000 1.203 449 L HN 0.298 nan 8.230 nan 0.000 0.440 450 N N 0.876 119.601 118.700 0.042 0.000 2.203 450 N HA 0.107 4.847 4.740 0.001 0.000 0.207 450 N C -0.850 174.689 175.510 0.049 0.000 1.130 450 N CA 0.208 53.285 53.050 0.045 0.000 0.861 450 N CB 0.553 39.062 38.487 0.038 0.000 1.005 450 N HN 0.725 nan 8.380 nan 0.000 0.507 451 D N -2.133 118.297 120.400 0.049 0.000 2.720 451 D HA 0.017 4.657 4.640 0.001 0.000 0.239 451 D C 1.135 177.465 176.300 0.049 0.000 1.218 451 D CA -0.521 53.508 54.000 0.049 0.000 0.748 451 D CB 0.991 41.815 40.800 0.040 0.000 1.387 451 D HN -0.218 nan 8.370 nan 0.000 0.438 452 V N 0.916 120.859 119.914 0.049 0.000 2.380 452 V HA -0.100 4.020 4.120 0.001 0.000 0.251 452 V C 1.147 177.266 176.094 0.042 0.000 1.063 452 V CA 1.469 63.797 62.300 0.047 0.000 1.055 452 V CB -0.591 31.255 31.823 0.038 0.000 0.657 452 V HN 0.577 nan 8.190 nan 0.000 0.455 453 N N 0.209 118.930 118.700 0.036 0.000 2.279 453 N HA 0.115 4.855 4.740 0.001 0.000 0.226 453 N C 0.086 175.617 175.510 0.034 0.000 1.126 453 N CA -0.030 53.039 53.050 0.031 0.000 0.846 453 N CB -0.023 38.478 38.487 0.024 0.000 1.050 453 N HN 0.514 nan 8.380 nan 0.000 0.502 454 D N 1.626 122.049 120.400 0.039 0.000 2.412 454 D HA -0.035 4.606 4.640 0.001 0.000 0.257 454 D C 1.019 177.344 176.300 0.042 0.000 1.217 454 D CA 0.403 54.426 54.000 0.038 0.000 0.897 454 D CB 0.813 41.637 40.800 0.040 0.000 1.132 454 D HN 0.043 nan 8.370 nan 0.000 0.493 455 E N 2.948 123.172 120.200 0.039 0.000 2.427 455 E HA -0.075 4.276 4.350 0.001 0.000 0.196 455 E C 0.575 177.210 176.600 0.057 0.000 1.028 455 E CA 0.306 56.733 56.400 0.046 0.000 0.864 455 E CB 0.181 29.904 29.700 0.039 0.000 0.813 455 E HN 0.453 nan 8.360 nan 0.000 0.514 456 N N 0.361 119.089 118.700 0.046 0.000 2.353 456 N HA 0.017 4.758 4.740 0.001 0.000 0.185 456 N C 0.631 176.165 175.510 0.040 0.000 1.098 456 N CA 0.266 53.339 53.050 0.039 0.000 0.872 456 N CB 0.345 38.845 38.487 0.022 0.000 0.970 456 N HN 0.027 nan 8.380 nan 0.000 0.467 457 G N 0.005 108.834 108.800 0.048 0.000 2.572 457 G HA2 0.313 4.273 3.960 0.001 0.000 0.261 457 G HA3 0.313 4.273 3.960 0.001 0.000 0.261 457 G C -0.682 174.259 174.900 0.069 0.000 1.197 457 G CA -0.271 44.857 45.100 0.047 0.000 0.870 457 G HN 0.162 nan 8.290 nan 0.000 0.548 458 E N 0.230 120.463 120.200 0.056 0.000 2.302 458 E HA 0.349 4.700 4.350 0.001 0.000 0.263 458 E C -1.005 175.616 176.600 0.034 0.000 0.897 458 E CA -0.557 55.889 56.400 0.076 0.000 0.809 458 E CB 1.213 30.980 29.700 0.112 0.000 1.270 458 E HN 0.340 nan 8.360 nan 0.000 0.410 459 I N 3.396 123.989 120.570 0.037 0.000 2.331 459 I HA 0.401 4.572 4.170 0.001 0.000 0.292 459 I C 0.275 176.386 176.117 -0.010 0.000 0.998 459 I CA -0.535 60.769 61.300 0.008 0.000 1.267 459 I CB 1.586 39.608 38.000 0.037 0.000 1.386 459 I HN 0.572 nan 8.210 nan 0.000 0.476 460 A N 8.044 130.836 122.820 -0.046 0.000 2.363 460 A HA 0.737 5.057 4.320 0.001 0.000 0.270 460 A C -0.551 176.997 177.584 -0.060 0.000 1.121 460 A CA -0.205 51.803 52.037 -0.049 0.000 0.800 460 A CB 0.356 19.310 19.000 -0.077 0.000 1.052 460 A HN 0.693 nan 8.150 nan 0.000 0.493 461 L N 1.250 122.458 121.223 -0.024 0.000 2.354 461 L HA 0.635 4.975 4.340 0.001 0.000 0.264 461 L C -0.662 176.214 176.870 0.010 0.000 1.008 461 L CA -0.657 54.172 54.840 -0.020 0.000 0.819 461 L CB 2.204 44.292 42.059 0.048 0.000 1.339 461 L HN 0.753 nan 8.230 nan 0.000 0.420 462 C N 0.744 120.046 119.300 0.003 0.000 2.608 462 C HA 0.652 5.112 4.460 0.001 0.000 0.325 462 C C -0.060 174.941 174.990 0.018 0.000 1.147 462 C CA -0.149 58.880 59.018 0.019 0.000 1.359 462 C CB 1.817 29.564 27.740 0.013 0.000 1.912 462 C HN 0.846 nan 8.230 nan 0.000 0.466 463 T N 6.483 121.051 114.554 0.023 0.000 2.799 463 T HA 0.562 4.913 4.350 0.001 0.000 0.286 463 T C -0.332 174.368 174.700 -0.000 0.000 0.973 463 T CA -0.139 61.970 62.100 0.014 0.000 1.035 463 T CB 0.603 69.477 68.868 0.009 0.000 0.932 463 T HN 0.538 nan 8.240 nan 0.000 0.469 464 L N 1.924 123.146 121.223 -0.001 0.000 2.334 464 L HA 0.848 5.188 4.340 0.001 0.000 0.270 464 L C 0.337 177.194 176.870 -0.022 0.000 1.018 464 L CA -0.755 54.078 54.840 -0.012 0.000 0.811 464 L CB 1.849 43.908 42.059 0.000 0.000 1.271 464 L HN 0.617 nan 8.230 nan 0.000 0.443 465 S N -0.492 115.177 115.700 -0.053 0.000 2.683 465 S HA 0.854 5.324 4.470 0.001 0.000 0.269 465 S C -1.680 172.837 174.600 -0.138 0.000 1.165 465 S CA -0.370 57.788 58.200 -0.071 0.000 0.840 465 S CB 1.993 65.141 63.200 -0.086 0.000 1.169 465 S HN 0.837 nan 8.310 nan 0.000 0.490 466 A N 0.599 123.316 122.820 -0.172 0.000 2.574 466 A HA 0.782 5.102 4.320 0.001 0.000 0.297 466 A C -1.938 175.517 177.584 -0.216 0.000 1.062 466 A CA -0.596 51.319 52.037 -0.203 0.000 0.686 466 A CB 0.570 19.555 19.000 -0.026 0.000 1.285 466 A HN 0.448 nan 8.150 nan 0.000 0.403 467 F N 1.614 121.571 119.950 0.013 0.000 2.396 467 F HA 0.375 4.902 4.527 0.001 0.000 0.343 467 F C 0.955 176.761 175.800 0.010 0.000 1.104 467 F CA -0.610 57.383 58.000 -0.012 0.000 1.161 467 F CB 0.972 39.934 39.000 -0.063 0.000 1.146 467 F HN 0.582 nan 8.300 nan 0.000 0.522 468 N N 3.895 122.731 118.700 0.228 0.000 2.469 468 N HA 0.144 4.885 4.740 0.001 0.000 0.239 468 N C 0.681 176.282 175.510 0.152 0.000 1.053 468 N CA 0.077 53.236 53.050 0.182 0.000 0.937 468 N CB 0.396 38.991 38.487 0.180 0.000 1.163 468 N HN 0.693 nan 8.380 nan 0.000 0.509 469 L N 1.884 123.177 121.223 0.117 0.000 2.265 469 L HA -0.003 4.337 4.340 0.001 0.000 0.215 469 L C 2.005 178.994 176.870 0.198 0.000 1.117 469 L CA 1.044 55.877 54.840 -0.010 0.000 0.782 469 L CB -0.128 41.758 42.059 -0.289 0.000 0.914 469 L HN 0.556 nan 8.230 nan 0.000 0.441 470 G N -0.886 108.115 108.800 0.336 0.000 2.712 470 G HA2 0.044 4.004 3.960 0.001 0.000 0.212 470 G HA3 0.044 4.004 3.960 0.001 0.000 0.212 470 G C 1.497 176.614 174.900 0.361 0.000 1.142 470 G CA 0.613 46.011 45.100 0.497 0.000 0.789 470 G HN 0.421 nan 8.290 nan 0.000 0.535 471 A N 0.283 123.243 122.820 0.234 0.000 2.220 471 A HA 0.496 4.816 4.320 0.001 0.000 0.211 471 A C 1.082 178.718 177.584 0.087 0.000 1.176 471 A CA -0.195 51.937 52.037 0.158 0.000 0.834 471 A CB -0.212 18.875 19.000 0.146 0.000 0.868 471 A HN 0.540 nan 8.150 nan 0.000 0.488 472 I N -3.796 116.824 120.570 0.082 0.000 2.396 472 I HA 0.380 4.551 4.170 0.001 0.000 0.292 472 I C 0.425 176.576 176.117 0.057 0.000 0.999 472 I CA -0.692 60.626 61.300 0.030 0.000 1.310 472 I CB 0.868 38.855 38.000 -0.022 0.000 1.404 472 I HN -0.118 nan 8.210 nan 0.000 0.496 473 N N 3.746 122.456 118.700 0.018 0.000 2.376 473 N HA -0.019 4.721 4.740 0.001 0.000 0.177 473 N C -0.328 175.201 175.510 0.031 0.000 1.024 473 N CA 0.621 53.681 53.050 0.016 0.000 0.893 473 N CB -0.136 38.342 38.487 -0.015 0.000 0.980 473 N HN 0.929 nan 8.380 nan 0.000 0.439 474 N N -2.055 116.659 118.700 0.023 0.000 2.823 474 N HA 0.185 4.925 4.740 0.001 0.000 0.251 474 N C 0.042 175.563 175.510 0.017 0.000 1.392 474 N CA -0.647 52.426 53.050 0.039 0.000 0.864 474 N CB 0.852 39.348 38.487 0.016 0.000 1.481 474 N HN -0.294 nan 8.380 nan 0.000 0.508 475 L N -0.422 120.830 121.223 0.048 0.000 2.275 475 L HA -0.043 4.297 4.340 0.001 0.000 0.215 475 L C 0.794 177.703 176.870 0.064 0.000 1.119 475 L CA 0.981 55.849 54.840 0.048 0.000 0.790 475 L CB -0.376 41.748 42.059 0.109 0.000 0.919 475 L HN 0.678 nan 8.230 nan 0.000 0.443 476 D N -0.060 120.380 120.400 0.067 0.000 2.312 476 D HA -0.140 4.501 4.640 0.001 0.000 0.211 476 D C 1.906 178.060 176.300 -0.243 0.000 0.964 476 D CA 0.605 54.610 54.000 0.008 0.000 0.877 476 D CB 0.103 40.951 40.800 0.079 0.000 0.924 476 D HN 0.382 nan 8.370 nan 0.000 0.515 477 E N 0.264 120.352 120.200 -0.187 0.000 2.267 477 E HA -0.122 4.229 4.350 0.001 0.000 0.197 477 E C 1.975 178.366 176.600 -0.348 0.000 0.998 477 E CA 0.270 56.533 56.400 -0.229 0.000 0.830 477 E CB 0.014 29.621 29.700 -0.155 0.000 0.751 477 E HN 0.326 nan 8.360 nan 0.000 0.491 478 L N 0.520 121.483 121.223 -0.433 0.000 2.362 478 L HA -0.156 4.184 4.340 0.001 0.000 0.219 478 L C 2.401 178.857 176.870 -0.690 0.000 1.134 478 L CA 0.678 55.172 54.840 -0.577 0.000 0.807 478 L CB -0.239 41.534 42.059 -0.476 0.000 0.927 478 L HN 0.170 nan 8.230 nan 0.000 0.447 479 E N 0.728 120.285 120.200 -1.072 0.000 2.031 479 E HA -0.263 4.088 4.350 0.001 0.000 0.193 479 E C 1.907 178.258 176.600 -0.415 0.000 0.994 479 E CA 1.688 57.464 56.400 -1.041 0.000 0.800 479 E CB 0.164 29.242 29.700 -1.038 0.000 0.752 479 E HN 0.473 nan 8.360 nan 0.000 0.447 480 E N 0.517 120.524 120.200 -0.321 0.000 2.106 480 E HA -0.139 4.211 4.350 0.001 0.000 0.192 480 E C 2.158 178.708 176.600 -0.084 0.000 0.984 480 E CA 0.959 57.259 56.400 -0.167 0.000 0.806 480 E CB -0.099 29.505 29.700 -0.160 0.000 0.750 480 E HN 0.301 nan 8.360 nan 0.000 0.458 481 L N 0.353 121.503 121.223 -0.121 0.000 2.093 481 L HA -0.109 4.232 4.340 0.001 0.000 0.208 481 L C 2.448 179.456 176.870 0.230 0.000 1.085 481 L CA 0.982 55.839 54.840 0.029 0.000 0.755 481 L CB -0.487 41.538 42.059 -0.056 0.000 0.904 481 L HN 0.172 nan 8.230 nan 0.000 0.435 482 A N 0.437 123.326 122.820 0.116 0.000 1.902 482 A HA -0.178 4.142 4.320 0.001 0.000 0.217 482 A C 2.221 179.902 177.584 0.162 0.000 1.181 482 A CA 1.467 53.657 52.037 0.254 0.000 0.623 482 A CB -0.644 18.433 19.000 0.129 0.000 0.818 482 A HN 0.335 nan 8.150 nan 0.000 0.443 483 I N -0.682 119.942 120.570 0.091 0.000 2.163 483 I HA -0.253 3.917 4.170 0.001 0.000 0.243 483 I C 2.294 178.529 176.117 0.196 0.000 1.085 483 I CA 0.918 62.287 61.300 0.114 0.000 1.347 483 I CB -0.335 37.722 38.000 0.095 0.000 1.044 483 I HN 0.221 nan 8.210 nan 0.000 0.408 484 L N 0.686 122.053 121.223 0.240 0.000 1.994 484 L HA -0.164 4.177 4.340 0.001 0.000 0.208 484 L C 2.742 179.858 176.870 0.410 0.000 1.071 484 L CA 2.263 57.339 54.840 0.392 0.000 0.745 484 L CB -1.700 40.593 42.059 0.390 0.000 0.892 484 L HN 0.229 nan 8.230 nan 0.000 0.431 485 A N -0.950 122.066 122.820 0.326 0.000 1.858 485 A HA -0.159 4.162 4.320 0.001 0.000 0.216 485 A C 2.416 180.056 177.584 0.092 0.000 1.190 485 A CA 2.018 54.191 52.037 0.228 0.000 0.617 485 A CB -0.959 18.106 19.000 0.108 0.000 0.827 485 A HN 0.218 nan 8.150 nan 0.000 0.443 486 V N -0.062 119.901 119.914 0.081 0.000 2.295 486 V HA -0.287 3.833 4.120 0.001 0.000 0.246 486 V C 2.672 178.747 176.094 -0.030 0.000 1.049 486 V CA 2.384 64.695 62.300 0.018 0.000 1.024 486 V CB -0.846 30.992 31.823 0.025 0.000 0.648 486 V HN 0.524 nan 8.190 nan 0.000 0.447 487 R N -0.058 120.437 120.500 -0.008 0.000 2.075 487 R HA -0.073 4.267 4.340 0.001 0.000 0.232 487 R C 2.450 178.525 176.300 -0.374 0.000 1.126 487 R CA 1.387 57.433 56.100 -0.091 0.000 0.963 487 R CB -0.604 29.711 30.300 0.025 0.000 0.858 487 R HN 0.538 nan 8.270 nan 0.000 0.435 488 A N 1.163 123.713 122.820 -0.450 0.000 1.902 488 A HA -0.134 4.187 4.320 0.001 0.000 0.217 488 A C 2.134 179.420 177.584 -0.497 0.000 1.181 488 A CA 1.235 52.781 52.037 -0.820 0.000 0.623 488 A CB -0.508 17.996 19.000 -0.826 0.000 0.818 488 A HN 0.177 nan 8.150 nan 0.000 0.443 489 L N -1.076 119.992 121.223 -0.258 0.000 2.109 489 L HA -0.125 4.215 4.340 0.001 0.000 0.207 489 L C 2.322 179.107 176.870 -0.141 0.000 1.086 489 L CA 1.568 56.307 54.840 -0.168 0.000 0.760 489 L CB -0.635 41.371 42.059 -0.087 0.000 0.910 489 L HN 0.404 nan 8.230 nan 0.000 0.437 490 D N 0.351 120.669 120.400 -0.136 0.000 2.144 490 D HA -0.179 4.462 4.640 0.001 0.000 0.199 490 D C 2.166 178.398 176.300 -0.112 0.000 0.984 490 D CA 1.288 55.229 54.000 -0.099 0.000 0.834 490 D CB 0.210 40.960 40.800 -0.084 0.000 0.955 490 D HN 0.258 nan 8.370 nan 0.000 0.465 491 A N -0.102 122.598 122.820 -0.199 0.000 1.930 491 A HA -0.080 4.241 4.320 0.001 0.000 0.217 491 A C 2.088 179.582 177.584 -0.150 0.000 1.175 491 A CA 0.998 52.913 52.037 -0.203 0.000 0.627 491 A CB -0.796 17.977 19.000 -0.378 0.000 0.815 491 A HN 0.375 nan 8.150 nan 0.000 0.443 492 L N -0.005 121.104 121.223 -0.189 0.000 2.127 492 L HA -0.133 4.207 4.340 0.001 0.000 0.211 492 L C 2.199 179.107 176.870 0.064 0.000 1.089 492 L CA 1.562 56.347 54.840 -0.092 0.000 0.757 492 L CB -0.433 41.529 42.059 -0.163 0.000 0.899 492 L HN 0.426 nan 8.230 nan 0.000 0.434 493 L N -0.848 120.406 121.223 0.050 0.000 2.079 493 L HA -0.210 4.130 4.340 0.001 0.000 0.210 493 L C 1.795 178.793 176.870 0.213 0.000 1.081 493 L CA 1.278 56.205 54.840 0.145 0.000 0.752 493 L CB -0.788 41.327 42.059 0.092 0.000 0.896 493 L HN 0.292 nan 8.230 nan 0.000 0.433 494 D N -1.754 118.726 120.400 0.133 0.000 2.348 494 D HA -0.113 4.528 4.640 0.001 0.000 0.211 494 D C 1.698 178.099 176.300 0.169 0.000 0.998 494 D CA 0.676 54.756 54.000 0.133 0.000 0.873 494 D CB 0.276 41.110 40.800 0.057 0.000 0.925 494 D HN 0.324 nan 8.370 nan 0.000 0.524 495 Y N 1.741 122.054 120.300 0.022 0.000 2.343 495 Y HA 0.029 4.580 4.550 0.001 0.000 0.294 495 Y C 1.170 177.106 175.900 0.061 0.000 1.122 495 Y CA 0.251 58.358 58.100 0.012 0.000 1.173 495 Y CB 0.164 38.606 38.460 -0.030 0.000 1.077 495 Y HN -0.114 nan 8.280 nan 0.000 0.542 496 Q N 1.126 121.009 119.800 0.140 0.000 2.417 496 Q HA 0.130 4.470 4.340 0.001 0.000 0.241 496 Q C -0.861 174.954 176.000 -0.309 0.000 1.008 496 Q CA -0.496 55.306 55.803 -0.002 0.000 0.901 496 Q CB 0.743 29.517 28.738 0.059 0.000 1.259 496 Q HN 0.144 nan 8.270 nan 0.000 0.489 497 D N 0.412 120.600 120.400 -0.353 0.000 2.329 497 D HA 0.245 4.885 4.640 0.001 0.000 0.246 497 D C -1.226 174.769 176.300 -0.508 0.000 1.111 497 D CA 0.011 53.822 54.000 -0.315 0.000 0.941 497 D CB 0.555 41.223 40.800 -0.220 0.000 1.169 497 D HN 0.447 nan 8.370 nan 0.000 0.441 498 Y N 0.720 121.009 120.300 -0.018 0.000 2.488 498 Y HA 0.220 4.771 4.550 0.001 0.000 0.330 498 Y C -1.320 174.547 175.900 -0.055 0.000 1.013 498 Y CA -1.351 56.756 58.100 0.013 0.000 1.304 498 Y CB 1.747 40.226 38.460 0.032 0.000 1.098 498 Y HN 0.209 nan 8.280 nan 0.000 0.498 499 P HA -0.021 nan 4.420 nan 0.000 0.223 499 P C 0.057 177.303 177.300 -0.092 0.000 1.151 499 P CA 1.281 64.283 63.100 -0.163 0.000 0.787 499 P CB 1.112 32.572 31.700 -0.400 0.000 0.788 500 I N 0.417 120.985 120.570 -0.004 0.000 2.418 500 I HA 0.221 4.392 4.170 0.001 0.000 0.287 500 I C -1.775 174.406 176.117 0.106 0.000 1.008 500 I CA -2.786 58.552 61.300 0.064 0.000 1.104 500 I CB 1.547 39.630 38.000 0.140 0.000 1.264 500 I HN -0.297 nan 8.210 nan 0.000 0.438 501 P HA -0.191 nan 4.420 nan 0.000 0.216 501 P C 1.528 178.848 177.300 0.035 0.000 1.154 501 P CA 1.769 64.891 63.100 0.037 0.000 0.865 501 P CB 0.430 32.148 31.700 0.030 0.000 0.789 502 A N -0.519 122.339 122.820 0.063 0.000 1.972 502 A HA -0.064 4.257 4.320 0.001 0.000 0.219 502 A C 2.272 179.896 177.584 0.066 0.000 1.169 502 A CA 1.913 53.991 52.037 0.068 0.000 0.635 502 A CB -1.410 17.634 19.000 0.073 0.000 0.810 502 A HN 0.219 nan 8.150 nan 0.000 0.446 503 A N -0.317 122.569 122.820 0.110 0.000 1.930 503 A HA -0.056 4.264 4.320 0.001 0.000 0.215 503 A C 2.088 179.684 177.584 0.019 0.000 1.176 503 A CA 1.661 53.777 52.037 0.133 0.000 0.632 503 A CB -0.374 18.817 19.000 0.317 0.000 0.819 503 A HN 0.507 nan 8.150 nan 0.000 0.445 504 K N -0.374 119.962 120.400 -0.105 0.000 2.097 504 K HA -0.141 4.179 4.320 0.001 0.000 0.206 504 K C 2.271 178.629 176.600 -0.405 0.000 1.049 504 K CA 1.114 57.053 56.287 -0.579 0.000 0.933 504 K CB -0.165 32.040 32.500 -0.491 0.000 0.717 504 K HN 0.334 nan 8.250 nan 0.000 0.442 505 R N -0.371 120.010 120.500 -0.197 0.000 2.091 505 R HA -0.114 4.226 4.340 0.001 0.000 0.238 505 R C 2.372 178.500 176.300 -0.285 0.000 1.136 505 R CA 1.610 57.610 56.100 -0.167 0.000 0.959 505 R CB -0.602 29.733 30.300 0.059 0.000 0.856 505 R HN 0.393 nan 8.270 nan 0.000 0.437 506 G N 0.403 109.130 108.800 -0.123 0.000 2.421 506 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 506 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 506 G C 1.547 176.345 174.900 -0.170 0.000 1.171 506 G CA 0.870 45.920 45.100 -0.082 0.000 0.775 506 G HN 0.428 nan 8.290 nan 0.000 0.543 507 A N 0.303 123.025 122.820 -0.163 0.000 1.898 507 A HA 0.074 4.395 4.320 0.001 0.000 0.216 507 A C 2.415 179.872 177.584 -0.212 0.000 1.181 507 A CA 1.922 53.888 52.037 -0.117 0.000 0.620 507 A CB -0.283 18.722 19.000 0.007 0.000 0.819 507 A HN 0.301 nan 8.150 nan 0.000 0.442 508 M N -0.653 118.734 119.600 -0.355 0.000 2.288 508 M HA -0.005 4.475 4.480 0.001 0.000 0.266 508 M C 2.266 178.277 176.300 -0.482 0.000 1.072 508 M CA 1.263 56.350 55.300 -0.355 0.000 1.132 508 M CB -1.655 30.731 32.600 -0.357 0.000 1.386 508 M HN 0.467 nan 8.290 nan 0.000 0.432 509 G N 0.730 109.043 108.800 -0.811 0.000 2.394 509 G HA2 -0.164 3.796 3.960 0.001 0.000 0.215 509 G HA3 -0.164 3.796 3.960 0.001 0.000 0.215 509 G C 1.796 176.333 174.900 -0.605 0.000 1.165 509 G CA 0.342 44.577 45.100 -1.442 0.000 0.784 509 G HN 0.465 nan 8.290 nan 0.000 0.535 510 R N -1.167 119.177 120.500 -0.259 0.000 2.369 510 R HA 0.268 4.609 4.340 0.001 0.000 0.210 510 R C 0.455 176.787 176.300 0.055 0.000 0.881 510 R CA -0.342 55.797 56.100 0.063 0.000 1.031 510 R CB 0.409 30.851 30.300 0.236 0.000 1.184 510 R HN 0.098 nan 8.270 nan 0.000 0.581 511 R N 2.140 122.626 120.500 -0.024 0.000 3.333 511 R HA -0.114 4.226 4.340 0.001 0.000 0.256 511 R C -0.613 175.710 176.300 0.039 0.000 1.010 511 R CA 1.027 57.123 56.100 -0.006 0.000 0.680 511 R CB -2.278 28.006 30.300 -0.027 0.000 1.102 511 R HN 0.417 nan 8.270 nan 0.000 0.440 512 T N -1.148 113.448 114.554 0.070 0.000 2.870 512 T HA 0.548 4.898 4.350 0.001 0.000 0.300 512 T C 0.703 175.439 174.700 0.061 0.000 0.989 512 T CA -0.598 61.562 62.100 0.100 0.000 1.139 512 T CB 1.451 70.408 68.868 0.148 0.000 0.920 512 T HN 0.239 nan 8.240 nan 0.000 0.537 513 L N 2.078 123.331 121.223 0.051 0.000 2.323 513 L HA 0.797 5.137 4.340 0.001 0.000 0.265 513 L C 0.571 177.458 176.870 0.029 0.000 1.012 513 L CA -1.321 53.534 54.840 0.025 0.000 0.820 513 L CB 2.341 44.401 42.059 0.003 0.000 1.334 513 L HN 0.948 nan 8.230 nan 0.000 0.427 514 G N 2.232 111.037 108.800 0.008 0.000 3.405 514 G HA2 0.596 4.557 3.960 0.001 0.000 0.318 514 G HA3 0.596 4.557 3.960 0.001 0.000 0.318 514 G C -0.959 173.926 174.900 -0.025 0.000 1.597 514 G CA -0.136 44.969 45.100 0.008 0.000 1.022 514 G HN 0.343 nan 8.290 nan 0.000 0.506 515 I N 2.221 122.765 120.570 -0.043 0.000 2.336 515 I HA 0.609 4.780 4.170 0.001 0.000 0.292 515 I C 1.011 177.075 176.117 -0.088 0.000 0.991 515 I CA -0.320 60.897 61.300 -0.138 0.000 1.227 515 I CB 1.988 39.833 38.000 -0.258 0.000 1.366 515 I HN 0.430 nan 8.210 nan 0.000 0.466 516 G N 5.014 113.757 108.800 -0.095 0.000 3.211 516 G HA2 0.789 4.749 3.960 0.001 0.000 0.167 516 G HA3 0.789 4.749 3.960 0.001 0.000 0.167 516 G C -0.720 174.195 174.900 0.025 0.000 1.212 516 G CA -0.381 44.727 45.100 0.013 0.000 0.928 516 G HN 0.541 nan 8.290 nan 0.000 0.607 517 V N -1.604 118.368 119.914 0.096 0.000 3.078 517 V HA 0.864 4.984 4.120 0.001 0.000 0.311 517 V C -0.461 175.723 176.094 0.149 0.000 1.138 517 V CA -1.020 61.354 62.300 0.123 0.000 1.007 517 V CB 1.487 33.381 31.823 0.118 0.000 1.045 517 V HN 1.127 nan 8.190 nan 0.000 0.432 518 I N -0.882 119.791 120.570 0.172 0.000 3.145 518 I HA 0.756 4.927 4.170 0.001 0.000 0.313 518 I C 0.304 176.579 176.117 0.263 0.000 1.122 518 I CA -0.781 60.642 61.300 0.206 0.000 0.987 518 I CB 2.184 40.282 38.000 0.163 0.000 1.236 518 I HN 0.749 nan 8.210 nan 0.000 0.453 519 N N 0.570 119.455 118.700 0.307 0.000 2.829 519 N HA -0.255 4.485 4.740 0.001 0.000 0.250 519 N C 0.117 175.910 175.510 0.471 0.000 1.090 519 N CA 1.075 54.353 53.050 0.381 0.000 0.781 519 N CB -1.176 37.529 38.487 0.363 0.000 1.124 519 N HN 0.859 nan 8.380 nan 0.000 0.559 520 F N 0.600 120.736 119.950 0.310 0.000 2.134 520 F HA 0.057 4.584 4.527 0.001 0.000 0.299 520 F C 2.112 178.142 175.800 0.384 0.000 1.097 520 F CA 2.029 60.223 58.000 0.323 0.000 1.264 520 F CB -0.581 38.607 39.000 0.314 0.000 1.001 520 F HN 0.204 nan 8.300 nan 0.000 0.479 521 A N -0.442 122.617 122.820 0.398 0.000 1.877 521 A HA -0.262 4.058 4.320 0.001 0.000 0.216 521 A C 2.154 179.892 177.584 0.257 0.000 1.186 521 A CA 1.712 53.970 52.037 0.369 0.000 0.620 521 A CB -1.774 17.569 19.000 0.571 0.000 0.822 521 A HN 0.601 nan 8.150 nan 0.000 0.443 522 Y N -0.996 119.462 120.300 0.264 0.000 2.165 522 Y HA -0.297 4.253 4.550 0.001 0.000 0.286 522 Y C 2.184 178.107 175.900 0.039 0.000 1.155 522 Y CA 1.928 60.106 58.100 0.131 0.000 1.164 522 Y CB -0.813 37.816 38.460 0.280 0.000 0.978 522 Y HN 0.446 nan 8.280 nan 0.000 0.513 523 Y N 0.282 120.504 120.300 -0.129 0.000 2.128 523 Y HA -0.282 4.268 4.550 0.001 0.000 0.284 523 Y C 2.145 177.921 175.900 -0.207 0.000 1.154 523 Y CA 2.176 60.166 58.100 -0.182 0.000 1.149 523 Y CB -0.604 37.851 38.460 -0.009 0.000 0.976 523 Y HN 0.181 nan 8.280 nan 0.000 0.505 524 L N -0.537 120.479 121.223 -0.345 0.000 2.056 524 L HA -0.204 4.136 4.340 0.001 0.000 0.207 524 L C 2.802 179.468 176.870 -0.340 0.000 1.078 524 L CA 1.090 55.664 54.840 -0.442 0.000 0.749 524 L CB -1.128 40.587 42.059 -0.573 0.000 0.901 524 L HN 0.352 nan 8.230 nan 0.000 0.433 525 A N 1.454 124.062 122.820 -0.352 0.000 1.883 525 A HA -0.248 4.072 4.320 0.001 0.000 0.217 525 A C 2.288 179.631 177.584 -0.401 0.000 1.186 525 A CA 2.183 53.976 52.037 -0.406 0.000 0.624 525 A CB -0.519 18.041 19.000 -0.732 0.000 0.822 525 A HN 0.548 nan 8.150 nan 0.000 0.444 526 K N -1.285 118.810 120.400 -0.508 0.000 2.362 526 K HA -0.129 4.192 4.320 0.001 0.000 0.200 526 K C 0.990 177.271 176.600 -0.531 0.000 1.046 526 K CA 1.652 57.630 56.287 -0.515 0.000 0.952 526 K CB -0.401 31.704 32.500 -0.659 0.000 0.753 526 K HN 0.603 nan 8.250 nan 0.000 0.466 527 H N 0.159 118.968 119.070 -0.435 0.000 2.526 527 H HA 0.202 4.758 4.556 0.001 0.000 0.274 527 H C 0.638 175.803 175.328 -0.272 0.000 0.999 527 H CA 0.517 56.344 56.048 -0.368 0.000 1.157 527 H CB 0.823 30.299 29.762 -0.476 0.000 1.407 527 H HN 0.538 nan 8.280 nan 0.000 0.568 528 G N 1.196 109.888 108.800 -0.180 0.000 2.249 528 G HA2 -0.289 3.672 3.960 0.001 0.000 0.273 528 G HA3 -0.289 3.672 3.960 0.001 0.000 0.273 528 G C -0.044 174.788 174.900 -0.114 0.000 1.036 528 G CA 0.164 45.179 45.100 -0.142 0.000 0.824 528 G HN 0.194 nan 8.290 nan 0.000 0.504 529 K N -0.707 119.609 120.400 -0.140 0.000 2.258 529 K HA 0.790 5.110 4.320 0.001 0.000 0.236 529 K C 0.634 177.163 176.600 -0.117 0.000 1.008 529 K CA -0.710 55.501 56.287 -0.126 0.000 0.869 529 K CB 1.596 34.000 32.500 -0.160 0.000 1.171 529 K HN 0.358 nan 8.250 nan 0.000 0.447 530 R N -0.423 120.031 120.500 -0.076 0.000 2.855 530 R HA 0.328 4.668 4.340 0.001 0.000 0.266 530 R C 0.660 176.966 176.300 0.009 0.000 1.034 530 R CA -0.684 55.419 56.100 0.005 0.000 0.944 530 R CB 0.702 31.044 30.300 0.070 0.000 1.219 530 R HN 0.472 nan 8.270 nan 0.000 0.474 531 Y N 0.133 120.468 120.300 0.058 0.000 2.206 531 Y HA -0.171 4.379 4.550 0.001 0.000 0.292 531 Y C 2.496 178.457 175.900 0.102 0.000 1.123 531 Y CA 1.992 60.163 58.100 0.117 0.000 1.142 531 Y CB 0.180 38.745 38.460 0.175 0.000 1.006 531 Y HN 0.610 nan 8.280 nan 0.000 0.518 532 S N -0.831 115.020 115.700 0.252 0.000 2.527 532 S HA -0.067 4.403 4.470 0.001 0.000 0.222 532 S C 0.954 175.623 174.600 0.115 0.000 0.985 532 S CA 0.857 59.161 58.200 0.174 0.000 0.921 532 S CB -0.261 63.019 63.200 0.134 0.000 0.772 532 S HN 0.565 nan 8.310 nan 0.000 0.529 533 D N -0.527 119.927 120.400 0.089 0.000 2.433 533 D HA 0.312 4.952 4.640 0.001 0.000 0.211 533 D C 1.364 177.685 176.300 0.036 0.000 1.114 533 D CA 0.446 54.480 54.000 0.057 0.000 0.837 533 D CB -0.345 40.482 40.800 0.045 0.000 0.984 533 D HN 0.484 nan 8.370 nan 0.000 0.505 534 G N 0.661 109.478 108.800 0.030 0.000 2.176 534 G HA2 -0.368 3.593 3.960 0.001 0.000 0.253 534 G HA3 -0.368 3.593 3.960 0.001 0.000 0.253 534 G C 1.228 176.121 174.900 -0.011 0.000 0.979 534 G CA 0.805 45.906 45.100 0.001 0.000 0.641 534 G HN 0.661 nan 8.290 nan 0.000 0.530 535 S N -0.496 115.198 115.700 -0.009 0.000 2.481 535 S HA 0.414 4.885 4.470 0.001 0.000 0.231 535 S C 2.152 176.728 174.600 -0.040 0.000 0.996 535 S CA 1.310 59.495 58.200 -0.024 0.000 0.942 535 S CB 0.060 63.246 63.200 -0.024 0.000 0.768 535 S HN 1.698 nan 8.310 nan 0.000 0.520 536 A N 1.086 123.880 122.820 -0.044 0.000 2.348 536 A HA 0.345 4.665 4.320 0.001 0.000 0.224 536 A C 1.674 179.264 177.584 0.010 0.000 1.227 536 A CA -0.029 51.978 52.037 -0.050 0.000 0.885 536 A CB -0.376 18.556 19.000 -0.113 0.000 0.933 536 A HN 0.421 nan 8.150 nan 0.000 0.506 537 N N 1.617 120.316 118.700 -0.001 0.000 2.036 537 N HA -0.165 4.575 4.740 0.001 0.000 0.195 537 N C 1.366 176.908 175.510 0.053 0.000 1.037 537 N CA 1.830 54.883 53.050 0.006 0.000 0.855 537 N CB -0.282 38.182 38.487 -0.038 0.000 1.033 537 N HN 0.444 nan 8.380 nan 0.000 0.423 538 N N 0.305 119.021 118.700 0.027 0.000 2.171 538 N HA -0.067 4.673 4.740 0.001 0.000 0.184 538 N C 1.710 177.282 175.510 0.103 0.000 1.021 538 N CA 0.302 53.377 53.050 0.040 0.000 0.854 538 N CB -0.501 37.980 38.487 -0.011 0.000 0.994 538 N HN 0.174 nan 8.380 nan 0.000 0.426 539 L N 1.288 122.549 121.223 0.064 0.000 2.046 539 L HA -0.094 4.247 4.340 0.001 0.000 0.208 539 L C 1.885 178.880 176.870 0.207 0.000 1.077 539 L CA 1.722 56.599 54.840 0.062 0.000 0.747 539 L CB -1.144 40.872 42.059 -0.072 0.000 0.896 539 L HN 0.071 nan 8.230 nan 0.000 0.432 540 T N -1.293 113.419 114.554 0.262 0.000 2.746 540 T HA -0.224 4.126 4.350 0.001 0.000 0.267 540 T C 1.838 176.771 174.700 0.390 0.000 1.039 540 T CA 1.509 63.851 62.100 0.403 0.000 1.142 540 T CB -0.498 68.545 68.868 0.292 0.000 0.866 540 T HN 0.523 nan 8.240 nan 0.000 0.444 541 H N 1.586 120.775 119.070 0.198 0.000 2.321 541 H HA -0.008 4.548 4.556 0.001 0.000 0.300 541 H C 2.418 177.845 175.328 0.164 0.000 1.087 541 H CA 1.854 58.035 56.048 0.222 0.000 1.319 541 H CB -0.151 29.692 29.762 0.135 0.000 1.379 541 H HN 0.320 nan 8.280 nan 0.000 0.501 542 K N -0.264 120.351 120.400 0.358 0.000 2.057 542 K HA -0.109 4.212 4.320 0.001 0.000 0.207 542 K C 2.122 178.808 176.600 0.143 0.000 1.049 542 K CA 1.819 58.274 56.287 0.280 0.000 0.931 542 K CB 0.030 32.671 32.500 0.234 0.000 0.714 542 K HN 0.217 nan 8.250 nan 0.000 0.440 543 T N 0.393 115.033 114.554 0.144 0.000 2.708 543 T HA -0.104 4.247 4.350 0.001 0.000 0.266 543 T C 1.495 176.071 174.700 -0.207 0.000 1.037 543 T CA 1.547 63.648 62.100 0.002 0.000 1.146 543 T CB -0.284 68.625 68.868 0.067 0.000 0.865 543 T HN 0.191 nan 8.240 nan 0.000 0.435 544 F N 1.033 120.900 119.950 -0.139 0.000 2.512 544 F HA 0.165 4.692 4.527 0.001 0.000 0.296 544 F C 2.454 177.867 175.800 -0.646 0.000 1.110 544 F CA 0.291 58.156 58.000 -0.225 0.000 1.446 544 F CB -0.129 38.837 39.000 -0.057 0.000 1.092 544 F HN 0.169 nan 8.300 nan 0.000 0.554 545 E N 0.840 120.490 120.200 -0.916 0.000 2.031 545 E HA -0.248 4.103 4.350 0.001 0.000 0.193 545 E C 2.424 178.900 176.600 -0.207 0.000 0.994 545 E CA 1.213 57.034 56.400 -0.965 0.000 0.800 545 E CB -0.149 29.284 29.700 -0.447 0.000 0.752 545 E HN 0.319 nan 8.360 nan 0.000 0.447 546 A N 1.175 123.933 122.820 -0.103 0.000 1.908 546 A HA -0.195 4.125 4.320 0.001 0.000 0.218 546 A C 2.196 179.681 177.584 -0.164 0.000 1.181 546 A CA 1.550 53.488 52.037 -0.164 0.000 0.627 546 A CB -0.710 18.328 19.000 0.063 0.000 0.818 546 A HN 0.331 nan 8.150 nan 0.000 0.445 547 I N -1.069 119.406 120.570 -0.158 0.000 2.127 547 I HA -0.298 3.872 4.170 0.001 0.000 0.241 547 I C 2.811 178.950 176.117 0.035 0.000 1.075 547 I CA 1.950 63.192 61.300 -0.096 0.000 1.334 547 I CB -0.322 37.587 38.000 -0.152 0.000 1.040 547 I HN 0.384 nan 8.210 nan 0.000 0.405 548 Q N 0.226 120.077 119.800 0.084 0.000 2.079 548 Q HA -0.249 4.091 4.340 0.001 0.000 0.200 548 Q C 2.099 178.147 176.000 0.081 0.000 0.974 548 Q CA 1.755 57.687 55.803 0.214 0.000 0.840 548 Q CB -0.600 28.418 28.738 0.465 0.000 0.898 548 Q HN 0.536 nan 8.270 nan 0.000 0.430 549 Y N -0.473 119.686 120.300 -0.235 0.000 2.081 549 Y HA -0.319 4.232 4.550 0.001 0.000 0.280 549 Y C 1.591 177.143 175.900 -0.580 0.000 1.163 549 Y CA 2.156 59.796 58.100 -0.767 0.000 1.135 549 Y CB -0.516 37.243 38.460 -1.167 0.000 0.970 549 Y HN 0.205 nan 8.280 nan 0.000 0.498 550 Y N -0.220 119.847 120.300 -0.388 0.000 2.314 550 Y HA -0.164 4.386 4.550 0.001 0.000 0.293 550 Y C 2.397 178.140 175.900 -0.261 0.000 1.129 550 Y CA 1.144 59.015 58.100 -0.382 0.000 1.201 550 Y CB -0.743 37.547 38.460 -0.282 0.000 0.999 550 Y HN 0.167 nan 8.280 nan 0.000 0.541 551 L N -0.968 120.257 121.223 0.003 0.000 2.017 551 L HA -0.248 4.093 4.340 0.001 0.000 0.208 551 L C 2.238 179.056 176.870 -0.086 0.000 1.073 551 L CA 1.257 56.116 54.840 0.031 0.000 0.745 551 L CB -0.714 41.411 42.059 0.110 0.000 0.894 551 L HN 0.222 nan 8.230 nan 0.000 0.432 552 L N -0.339 120.781 121.223 -0.172 0.000 2.083 552 L HA -0.241 4.100 4.340 0.001 0.000 0.209 552 L C 2.686 179.375 176.870 -0.303 0.000 1.083 552 L CA 1.284 55.974 54.840 -0.250 0.000 0.752 552 L CB -0.453 41.453 42.059 -0.254 0.000 0.899 552 L HN 0.258 nan 8.230 nan 0.000 0.433 553 K N 0.213 120.366 120.400 -0.412 0.000 2.057 553 K HA -0.164 4.156 4.320 0.001 0.000 0.206 553 K C 2.170 178.650 176.600 -0.200 0.000 1.050 553 K CA 1.222 57.280 56.287 -0.380 0.000 0.935 553 K CB -0.048 32.136 32.500 -0.526 0.000 0.715 553 K HN 0.265 nan 8.250 nan 0.000 0.439 554 A N 0.302 123.042 122.820 -0.134 0.000 1.877 554 A HA -0.162 4.159 4.320 0.001 0.000 0.216 554 A C 2.162 179.701 177.584 -0.075 0.000 1.186 554 A CA 2.161 54.160 52.037 -0.064 0.000 0.620 554 A CB -0.798 18.198 19.000 -0.007 0.000 0.822 554 A HN 0.389 nan 8.150 nan 0.000 0.443 555 S N -0.522 115.116 115.700 -0.103 0.000 2.406 555 S HA -0.146 4.324 4.470 0.001 0.000 0.228 555 S C 2.018 176.528 174.600 -0.151 0.000 1.020 555 S CA 1.205 59.335 58.200 -0.116 0.000 0.965 555 S CB -0.618 62.504 63.200 -0.130 0.000 0.798 555 S HN 0.736 nan 8.310 nan 0.000 0.488 556 N N 0.229 118.826 118.700 -0.173 0.000 2.084 556 N HA -0.127 4.614 4.740 0.001 0.000 0.190 556 N C 1.506 176.926 175.510 -0.149 0.000 1.030 556 N CA 1.201 54.148 53.050 -0.171 0.000 0.849 556 N CB -0.102 38.285 38.487 -0.167 0.000 1.012 556 N HN 0.356 nan 8.380 nan 0.000 0.423 557 E N 0.947 121.066 120.200 -0.134 0.000 2.106 557 E HA -0.152 4.198 4.350 0.001 0.000 0.192 557 E C 1.983 178.531 176.600 -0.088 0.000 0.984 557 E CA 0.387 56.718 56.400 -0.114 0.000 0.806 557 E CB -0.334 29.318 29.700 -0.081 0.000 0.750 557 E HN 0.342 nan 8.360 nan 0.000 0.458 558 L N 0.890 122.067 121.223 -0.077 0.000 2.083 558 L HA -0.055 4.285 4.340 0.001 0.000 0.209 558 L C 2.139 178.953 176.870 -0.093 0.000 1.083 558 L CA 1.791 56.591 54.840 -0.067 0.000 0.752 558 L CB -0.745 41.280 42.059 -0.057 0.000 0.899 558 L HN 0.017 nan 8.230 nan 0.000 0.433 559 A N -0.778 121.970 122.820 -0.119 0.000 1.930 559 A HA -0.203 4.117 4.320 0.001 0.000 0.217 559 A C 2.299 179.826 177.584 -0.096 0.000 1.175 559 A CA 1.663 53.620 52.037 -0.133 0.000 0.627 559 A CB -0.437 18.441 19.000 -0.203 0.000 0.815 559 A HN 0.475 nan 8.150 nan 0.000 0.443 560 K N -0.583 119.758 120.400 -0.099 0.000 2.063 560 K HA -0.199 4.121 4.320 0.001 0.000 0.208 560 K C 2.113 178.671 176.600 -0.071 0.000 1.048 560 K CA 1.655 57.886 56.287 -0.093 0.000 0.928 560 K CB -0.107 32.278 32.500 -0.191 0.000 0.713 560 K HN 0.716 nan 8.250 nan 0.000 0.442 561 E N 0.584 120.737 120.200 -0.077 0.000 2.076 561 E HA -0.137 4.214 4.350 0.001 0.000 0.190 561 E C 1.456 178.007 176.600 -0.082 0.000 0.979 561 E CA 0.924 57.281 56.400 -0.071 0.000 0.807 561 E CB 0.376 30.037 29.700 -0.065 0.000 0.761 561 E HN 0.288 nan 8.360 nan 0.000 0.454 562 Q N -0.944 118.803 119.800 -0.089 0.000 2.185 562 Q HA 0.254 4.594 4.340 0.001 0.000 0.234 562 Q C -0.270 175.682 176.000 -0.080 0.000 0.819 562 Q CA 0.238 55.983 55.803 -0.097 0.000 0.961 562 Q CB 2.224 30.890 28.738 -0.120 0.000 1.140 562 Q HN 0.261 nan 8.270 nan 0.000 0.492 563 G N 1.429 110.184 108.800 -0.075 0.000 2.788 563 G HA2 0.040 4.000 3.960 0.001 0.000 0.686 563 G HA3 0.040 4.000 3.960 0.001 0.000 0.686 563 G C -0.442 174.401 174.900 -0.095 0.000 1.147 563 G CA -0.545 44.514 45.100 -0.069 0.000 0.755 563 G HN 0.300 nan 8.290 nan 0.000 0.634 564 A N 1.100 123.847 122.820 -0.122 0.000 2.386 564 A HA 0.632 4.952 4.320 0.001 0.000 0.246 564 A C 1.677 179.220 177.584 -0.067 0.000 1.089 564 A CA 0.576 52.505 52.037 -0.181 0.000 0.790 564 A CB -0.261 18.524 19.000 -0.359 0.000 1.042 564 A HN 2.566 nan 8.150 nan 0.000 0.497 565 C N -0.354 118.933 119.300 -0.023 0.000 2.662 565 C HA 0.377 4.838 4.460 0.001 0.000 0.420 565 C C -1.143 173.905 174.990 0.096 0.000 1.314 565 C CA -0.960 58.074 59.018 0.026 0.000 1.963 565 C CB -0.315 27.459 27.740 0.056 0.000 2.686 565 C HN 0.675 nan 8.230 nan 0.000 0.609 566 P HA -0.108 nan 4.420 nan 0.000 0.217 566 P C 0.622 178.136 177.300 0.357 0.000 1.151 566 P CA 1.828 64.979 63.100 0.085 0.000 0.849 566 P CB -0.049 31.578 31.700 -0.122 0.000 0.787 567 W N -2.362 119.010 121.300 0.121 0.000 3.151 567 W HA 0.346 5.007 4.660 0.001 0.000 0.424 567 W C 1.199 177.822 176.519 0.173 0.000 1.012 567 W CA -1.410 56.009 57.345 0.124 0.000 2.018 567 W CB -1.675 27.845 29.460 0.100 0.000 1.087 567 W HN -0.073 nan 8.180 nan 0.000 0.740 568 F N 3.246 123.339 119.950 0.238 0.000 2.192 568 F HA -0.320 4.207 4.527 0.001 0.000 0.301 568 F C 2.104 177.995 175.800 0.153 0.000 1.079 568 F CA 2.142 60.239 58.000 0.162 0.000 1.303 568 F CB -0.355 38.705 39.000 0.099 0.000 1.024 568 F HN -0.033 nan 8.300 nan 0.000 0.494 569 N N 0.636 119.372 118.700 0.060 0.000 2.519 569 N HA -0.202 4.539 4.740 0.001 0.000 0.186 569 N C 1.043 176.505 175.510 -0.080 0.000 1.062 569 N CA 1.491 54.503 53.050 -0.063 0.000 0.910 569 N CB -0.975 37.537 38.487 0.043 0.000 0.958 569 N HN 0.539 nan 8.380 nan 0.000 0.445 570 E N -0.037 120.161 120.200 -0.003 0.000 2.489 570 E HA 0.001 4.351 4.350 0.001 0.000 0.193 570 E C 0.121 176.751 176.600 0.051 0.000 1.057 570 E CA 0.231 56.654 56.400 0.038 0.000 0.866 570 E CB 0.211 29.971 29.700 0.100 0.000 0.916 570 E HN 0.552 nan 8.360 nan 0.000 0.500 571 T N -1.556 112.938 114.554 -0.099 0.000 2.899 571 T HA 0.096 4.447 4.350 0.001 0.000 0.284 571 T C 1.532 176.106 174.700 -0.209 0.000 1.004 571 T CA -0.280 61.715 62.100 -0.175 0.000 1.043 571 T CB 1.635 70.367 68.868 -0.227 0.000 1.013 571 T HN -0.020 nan 8.240 nan 0.000 0.518 572 T N -0.863 113.556 114.554 -0.225 0.000 2.867 572 T HA -0.133 4.218 4.350 0.001 0.000 0.268 572 T C 1.476 176.050 174.700 -0.211 0.000 1.057 572 T CA 0.817 62.782 62.100 -0.224 0.000 1.136 572 T CB -0.941 67.766 68.868 -0.269 0.000 0.874 572 T HN 0.631 nan 8.240 nan 0.000 0.466 573 Y N 2.424 122.637 120.300 -0.146 0.000 2.151 573 Y HA -0.015 4.536 4.550 0.001 0.000 0.284 573 Y C 3.039 178.880 175.900 -0.098 0.000 1.166 573 Y CA 0.666 58.739 58.100 -0.046 0.000 1.163 573 Y CB -1.122 37.386 38.460 0.081 0.000 0.974 573 Y HN 0.351 nan 8.280 nan 0.000 0.511 574 A N -0.204 122.407 122.820 -0.348 0.000 2.019 574 A HA -0.174 4.146 4.320 0.001 0.000 0.219 574 A C 1.991 179.525 177.584 -0.083 0.000 1.164 574 A CA 1.475 53.251 52.037 -0.435 0.000 0.644 574 A CB -0.459 18.089 19.000 -0.754 0.000 0.805 574 A HN 0.412 nan 8.150 nan 0.000 0.449 575 K N -1.223 119.133 120.400 -0.073 0.000 2.458 575 K HA 0.223 4.543 4.320 0.001 0.000 0.194 575 K C 0.864 177.477 176.600 0.021 0.000 1.024 575 K CA 0.413 56.686 56.287 -0.023 0.000 1.108 575 K CB -0.096 32.376 32.500 -0.046 0.000 0.846 575 K HN 0.612 nan 8.250 nan 0.000 0.518 576 G N 2.029 110.870 108.800 0.069 0.000 2.176 576 G HA2 -0.262 3.698 3.960 0.001 0.000 0.252 576 G HA3 -0.262 3.698 3.960 0.001 0.000 0.252 576 G C 0.005 174.954 174.900 0.081 0.000 1.024 576 G CA -0.030 45.132 45.100 0.104 0.000 0.755 576 G HN 0.268 nan 8.290 nan 0.000 0.507 577 I N 0.237 120.824 120.570 0.029 0.000 2.359 577 I HA 0.582 4.753 4.170 0.001 0.000 0.294 577 I C 0.654 176.729 176.117 -0.070 0.000 0.987 577 I CA -0.874 60.410 61.300 -0.027 0.000 1.225 577 I CB 1.383 39.331 38.000 -0.086 0.000 1.366 577 I HN -0.031 nan 8.210 nan 0.000 0.466 578 L N 7.175 128.394 121.223 -0.007 0.000 2.319 578 L HA 0.480 4.820 4.340 0.001 0.000 0.267 578 L C -1.515 175.336 176.870 -0.032 0.000 1.011 578 L CA -1.567 53.300 54.840 0.045 0.000 0.818 578 L CB 1.890 44.103 42.059 0.257 0.000 1.316 578 L HN 0.341 nan 8.230 nan 0.000 0.432 579 P HA -0.163 nan 4.420 nan 0.000 0.219 579 P C 1.366 178.692 177.300 0.043 0.000 1.146 579 P CA 1.387 64.511 63.100 0.040 0.000 0.808 579 P CB -0.037 31.701 31.700 0.063 0.000 0.779 580 I N -3.316 117.172 120.570 -0.136 0.000 2.916 580 I HA -0.055 4.115 4.170 0.001 0.000 0.267 580 I C 0.991 177.147 176.117 0.066 0.000 1.263 580 I CA 1.353 62.555 61.300 -0.162 0.000 1.471 580 I CB -0.720 37.009 38.000 -0.452 0.000 1.089 580 I HN -0.245 nan 8.210 nan 0.000 0.468 581 D N 1.051 121.459 120.400 0.013 0.000 2.338 581 D HA -0.027 4.613 4.640 0.001 0.000 0.208 581 D C 2.007 178.223 176.300 -0.141 0.000 0.997 581 D CA 1.630 55.602 54.000 -0.046 0.000 0.880 581 D CB 0.186 40.966 40.800 -0.034 0.000 0.980 581 D HN 0.568 nan 8.370 nan 0.000 0.509 582 T N -1.904 112.606 114.554 -0.073 0.000 3.040 582 T HA 0.090 4.441 4.350 0.001 0.000 0.266 582 T C 0.820 175.379 174.700 -0.234 0.000 1.005 582 T CA -0.684 61.364 62.100 -0.085 0.000 0.906 582 T CB -0.630 68.283 68.868 0.074 0.000 1.082 582 T HN 0.119 nan 8.240 nan 0.000 0.531 583 Y N 1.410 121.456 120.300 -0.424 0.000 2.385 583 Y HA 0.587 5.138 4.550 0.001 0.000 0.346 583 Y C 0.465 176.051 175.900 -0.523 0.000 1.270 583 Y CA -1.801 55.794 58.100 -0.843 0.000 1.472 583 Y CB 0.419 38.466 38.460 -0.690 0.000 1.354 583 Y HN -0.176 nan 8.280 nan 0.000 0.611 584 K N 2.129 122.296 120.400 -0.388 0.000 2.402 584 K HA 0.071 4.391 4.320 0.001 0.000 0.285 584 K C 0.227 176.751 176.600 -0.126 0.000 1.054 584 K CA 0.260 56.366 56.287 -0.302 0.000 1.001 584 K CB 0.550 32.849 32.500 -0.335 0.000 0.946 584 K HN 0.770 nan 8.250 nan 0.000 0.473 585 K N 2.337 122.598 120.400 -0.233 0.000 2.283 585 K HA -0.110 4.211 4.320 0.001 0.000 0.202 585 K C 0.402 177.019 176.600 0.029 0.000 1.048 585 K CA 1.525 57.719 56.287 -0.154 0.000 0.948 585 K CB 0.122 32.498 32.500 -0.207 0.000 0.742 585 K HN 0.646 nan 8.250 nan 0.000 0.458 586 D N 0.690 121.108 120.400 0.031 0.000 2.309 586 D HA -0.134 4.507 4.640 0.001 0.000 0.212 586 D C 1.251 177.688 176.300 0.229 0.000 0.968 586 D CA 0.749 54.812 54.000 0.105 0.000 0.882 586 D CB -0.036 40.789 40.800 0.042 0.000 0.918 586 D HN 0.141 nan 8.370 nan 0.000 0.503 587 L N 0.509 121.854 121.223 0.202 0.000 2.265 587 L HA -0.134 4.206 4.340 0.001 0.000 0.215 587 L C 1.469 178.378 176.870 0.064 0.000 1.117 587 L CA 0.764 55.670 54.840 0.110 0.000 0.782 587 L CB -0.260 41.808 42.059 0.016 0.000 0.914 587 L HN -0.015 nan 8.230 nan 0.000 0.441 588 D N -0.376 120.095 120.400 0.117 0.000 2.218 588 D HA -0.157 4.484 4.640 0.001 0.000 0.204 588 D C 2.207 178.528 176.300 0.035 0.000 0.976 588 D CA 1.842 55.883 54.000 0.069 0.000 0.853 588 D CB -0.100 40.754 40.800 0.090 0.000 0.939 588 D HN 0.414 nan 8.370 nan 0.000 0.481 589 T N -1.537 113.057 114.554 0.066 0.000 3.088 589 T HA 0.011 4.361 4.350 0.001 0.000 0.259 589 T C 1.866 176.590 174.700 0.039 0.000 1.122 589 T CA 0.193 62.331 62.100 0.063 0.000 1.095 589 T CB -0.317 68.614 68.868 0.104 0.000 0.930 589 T HN 0.388 nan 8.240 nan 0.000 0.508 590 I N -2.067 118.503 120.570 0.000 0.000 4.154 590 I HA 0.763 4.933 4.170 0.001 0.000 0.334 590 I C 0.415 176.481 176.117 -0.085 0.000 1.371 590 I CA -1.063 60.195 61.300 -0.070 0.000 1.110 590 I CB 0.429 38.295 38.000 -0.224 0.000 1.085 590 I HN 0.223 nan 8.210 nan 0.000 0.398 591 A N 2.367 125.141 122.820 -0.076 0.000 2.547 591 A HA 0.586 4.906 4.320 0.001 0.000 0.297 591 A C -0.320 177.179 177.584 -0.142 0.000 1.056 591 A CA -0.540 51.436 52.037 -0.101 0.000 0.688 591 A CB 1.002 19.952 19.000 -0.084 0.000 1.282 591 A HN 0.283 nan 8.150 nan 0.000 0.400 592 N N 0.731 119.334 118.700 -0.161 0.000 2.171 592 N HA 0.068 4.808 4.740 0.001 0.000 0.212 592 N C -0.091 175.280 175.510 -0.230 0.000 1.184 592 N CA -0.090 52.863 53.050 -0.161 0.000 0.888 592 N CB 0.313 38.744 38.487 -0.094 0.000 1.038 592 N HN 0.636 nan 8.380 nan 0.000 0.517 593 E N 3.641 123.644 120.200 -0.330 0.000 2.585 593 E HA 0.095 4.445 4.350 0.001 0.000 0.252 593 E C -2.111 174.215 176.600 -0.456 0.000 0.981 593 E CA -1.131 55.058 56.400 -0.352 0.000 0.943 593 E CB 0.572 30.070 29.700 -0.337 0.000 0.923 593 E HN 0.291 nan 8.360 nan 0.000 0.486 594 P HA 0.081 nan 4.420 nan 0.000 0.276 594 P C -0.499 176.544 177.300 -0.428 0.000 1.244 594 P CA -0.301 62.604 63.100 -0.325 0.000 0.801 594 P CB 0.615 32.150 31.700 -0.275 0.000 1.006 595 L N 2.630 123.737 121.223 -0.193 0.000 2.453 595 L HA 0.065 4.406 4.340 0.001 0.000 0.272 595 L C 1.754 178.463 176.870 -0.268 0.000 1.182 595 L CA -0.022 54.773 54.840 -0.074 0.000 0.858 595 L CB -0.160 41.954 42.059 0.092 0.000 1.120 595 L HN 0.482 nan 8.230 nan 0.000 0.474 596 H N 2.002 121.035 119.070 -0.062 0.000 2.705 596 H HA 0.185 4.741 4.556 0.001 0.000 0.269 596 H C -0.545 174.397 175.328 -0.643 0.000 0.998 596 H CA 0.150 55.973 56.048 -0.375 0.000 1.193 596 H CB 0.392 29.826 29.762 -0.548 0.000 1.485 596 H HN 0.408 nan 8.280 nan 0.000 0.521 597 Y N 0.331 120.574 120.300 -0.095 0.000 2.549 597 Y HA 0.201 4.751 4.550 0.001 0.000 0.339 597 Y C 0.502 176.234 175.900 -0.280 0.000 1.053 597 Y CA -1.328 56.460 58.100 -0.520 0.000 1.105 597 Y CB 1.129 38.673 38.460 -1.526 0.000 1.258 597 Y HN -0.154 nan 8.280 nan 0.000 0.478 598 D N 1.233 121.544 120.400 -0.148 0.000 2.508 598 D HA 0.025 4.665 4.640 0.001 0.000 0.224 598 D C -0.056 176.338 176.300 0.157 0.000 1.171 598 D CA 0.025 54.064 54.000 0.065 0.000 1.006 598 D CB -0.116 40.732 40.800 0.080 0.000 1.073 598 D HN 0.512 nan 8.370 nan 0.000 0.513 599 W N 1.473 122.872 121.300 0.165 0.000 2.467 599 W HA -0.040 4.620 4.660 0.001 0.000 0.275 599 W C 2.033 178.658 176.519 0.177 0.000 1.239 599 W CA -0.001 57.480 57.345 0.226 0.000 1.266 599 W CB 0.236 29.819 29.460 0.206 0.000 1.112 599 W HN 0.301 nan 8.180 nan 0.000 0.576 600 E N 0.189 120.588 120.200 0.331 0.000 2.077 600 E HA -0.161 4.189 4.350 0.001 0.000 0.193 600 E C 2.252 178.958 176.600 0.178 0.000 0.989 600 E CA 1.536 58.070 56.400 0.223 0.000 0.800 600 E CB -1.040 28.758 29.700 0.163 0.000 0.746 600 E HN 0.243 nan 8.360 nan 0.000 0.452 601 A N 1.218 124.134 122.820 0.160 0.000 1.902 601 A HA -0.145 4.176 4.320 0.001 0.000 0.217 601 A C 2.272 179.929 177.584 0.122 0.000 1.181 601 A CA 1.299 53.411 52.037 0.126 0.000 0.623 601 A CB -0.648 18.419 19.000 0.110 0.000 0.818 601 A HN 0.248 nan 8.150 nan 0.000 0.443 602 L N 0.011 121.312 121.223 0.130 0.000 2.046 602 L HA -0.153 4.188 4.340 0.001 0.000 0.208 602 L C 2.455 179.406 176.870 0.135 0.000 1.077 602 L CA 2.403 57.285 54.840 0.071 0.000 0.747 602 L CB -0.629 41.415 42.059 -0.025 0.000 0.896 602 L HN 0.487 nan 8.230 nan 0.000 0.432 603 R N -0.618 120.008 120.500 0.210 0.000 2.112 603 R HA -0.209 4.131 4.340 0.001 0.000 0.242 603 R C 2.076 178.478 176.300 0.171 0.000 1.137 603 R CA 1.988 58.222 56.100 0.223 0.000 0.944 603 R CB -0.224 30.209 30.300 0.223 0.000 0.857 603 R HN 0.428 nan 8.270 nan 0.000 0.435 604 E N -0.076 120.208 120.200 0.140 0.000 2.106 604 E HA -0.117 4.234 4.350 0.001 0.000 0.192 604 E C 1.927 178.594 176.600 0.112 0.000 0.984 604 E CA 1.062 57.529 56.400 0.111 0.000 0.806 604 E CB -0.376 29.381 29.700 0.094 0.000 0.750 604 E HN 0.256 nan 8.360 nan 0.000 0.458 605 S N 0.314 116.094 115.700 0.134 0.000 2.383 605 S HA -0.059 4.412 4.470 0.001 0.000 0.227 605 S C 2.037 176.745 174.600 0.180 0.000 1.026 605 S CA 0.550 58.867 58.200 0.195 0.000 0.981 605 S CB -0.102 63.174 63.200 0.126 0.000 0.818 605 S HN 0.151 nan 8.310 nan 0.000 0.472 606 I N 0.842 121.490 120.570 0.130 0.000 2.233 606 I HA -0.113 4.057 4.170 0.001 0.000 0.243 606 I C 2.678 178.922 176.117 0.211 0.000 1.093 606 I CA 1.080 62.460 61.300 0.134 0.000 1.380 606 I CB -0.285 37.826 38.000 0.186 0.000 1.067 606 I HN 0.244 nan 8.210 nan 0.000 0.413 607 K N 0.257 120.784 120.400 0.212 0.000 2.147 607 K HA -0.158 4.162 4.320 0.001 0.000 0.205 607 K C 2.004 178.678 176.600 0.123 0.000 1.049 607 K CA 1.732 58.144 56.287 0.209 0.000 0.936 607 K CB 0.012 32.596 32.500 0.140 0.000 0.722 607 K HN 0.319 nan 8.250 nan 0.000 0.446 608 T N -0.958 113.595 114.554 -0.001 0.000 2.814 608 T HA -0.034 4.317 4.350 0.001 0.000 0.254 608 T C 1.250 175.769 174.700 -0.302 0.000 1.037 608 T CA 1.162 63.140 62.100 -0.204 0.000 1.143 608 T CB -0.150 68.480 68.868 -0.397 0.000 0.866 608 T HN 0.380 nan 8.240 nan 0.000 0.431 609 H N 0.059 119.109 119.070 -0.033 0.000 2.595 609 H HA 0.485 5.041 4.556 0.001 0.000 0.265 609 H C 1.340 176.525 175.328 -0.237 0.000 0.953 609 H CA 0.274 56.262 56.048 -0.099 0.000 1.197 609 H CB 0.171 29.878 29.762 -0.091 0.000 1.438 609 H HN 0.546 nan 8.280 nan 0.000 0.531 610 G N 0.306 108.948 108.800 -0.263 0.000 2.728 610 G HA2 -0.211 3.749 3.960 0.001 0.000 0.294 610 G HA3 -0.211 3.749 3.960 0.001 0.000 0.294 610 G C -1.029 173.380 174.900 -0.817 0.000 1.342 610 G CA -0.561 43.939 45.100 -1.001 0.000 0.866 610 G HN 0.177 nan 8.290 nan 0.000 0.534 611 L N -0.422 120.108 121.223 -1.154 0.000 2.365 611 L HA 0.597 4.937 4.340 0.001 0.000 0.273 611 L C 1.486 178.157 176.870 -0.331 0.000 1.000 611 L CA -0.947 53.609 54.840 -0.474 0.000 0.819 611 L CB 1.943 43.852 42.059 -0.250 0.000 1.284 611 L HN 0.732 nan 8.230 nan 0.000 0.418 612 R N 1.812 122.191 120.500 -0.202 0.000 2.152 612 R HA -0.045 4.295 4.340 0.001 0.000 0.232 612 R C -0.339 175.924 176.300 -0.063 0.000 1.117 612 R CA 1.338 57.363 56.100 -0.123 0.000 0.981 612 R CB -0.098 30.141 30.300 -0.102 0.000 0.870 612 R HN 0.698 nan 8.270 nan 0.000 0.451 613 N N -1.366 117.304 118.700 -0.049 0.000 2.352 613 N HA 0.197 4.938 4.740 0.001 0.000 0.291 613 N C -0.557 174.976 175.510 0.039 0.000 1.040 613 N CA -0.348 52.703 53.050 0.002 0.000 0.864 613 N CB 2.302 40.779 38.487 -0.017 0.000 1.440 613 N HN -0.171 nan 8.380 nan 0.000 0.483 614 S N -0.122 115.647 115.700 0.115 0.000 2.423 614 S HA -0.049 4.421 4.470 0.001 0.000 0.231 614 S C 0.860 175.469 174.600 0.015 0.000 1.014 614 S CA 0.964 59.238 58.200 0.123 0.000 0.965 614 S CB -0.111 63.249 63.200 0.267 0.000 0.785 614 S HN 0.821 nan 8.310 nan 0.000 0.495 615 T N -1.768 112.830 114.554 0.074 0.000 2.906 615 T HA 0.722 5.072 4.350 0.001 0.000 0.295 615 T C 0.216 174.948 174.700 0.053 0.000 1.061 615 T CA -0.794 61.349 62.100 0.073 0.000 1.000 615 T CB 1.702 70.653 68.868 0.139 0.000 1.103 615 T HN -0.026 nan 8.240 nan 0.000 0.486 616 L N 1.039 122.295 121.223 0.054 0.000 2.854 616 L HA 0.350 4.691 4.340 0.001 0.000 0.249 616 L C 0.826 177.729 176.870 0.056 0.000 1.091 616 L CA -0.121 54.743 54.840 0.040 0.000 0.935 616 L CB 0.653 42.727 42.059 0.024 0.000 1.367 616 L HN 0.895 nan 8.230 nan 0.000 0.524 617 S N -0.081 115.671 115.700 0.087 0.000 2.513 617 S HA 0.901 5.372 4.470 0.001 0.000 0.299 617 S C -0.555 174.095 174.600 0.085 0.000 1.087 617 S CA -0.368 57.891 58.200 0.098 0.000 1.012 617 S CB 2.709 66.005 63.200 0.161 0.000 1.044 617 S HN 0.115 nan 8.310 nan 0.000 0.485 618 A N 2.209 125.070 122.820 0.069 0.000 2.555 618 A HA 0.597 4.917 4.320 0.001 0.000 0.297 618 A C -1.392 176.219 177.584 0.045 0.000 1.060 618 A CA -0.821 51.245 52.037 0.049 0.000 0.710 618 A CB 0.878 19.894 19.000 0.027 0.000 1.282 618 A HN 0.877 nan 8.150 nan 0.000 0.399 619 L N 4.397 125.642 121.223 0.036 0.000 2.287 619 L HA 0.410 4.750 4.340 0.001 0.000 0.280 619 L C 0.430 177.307 176.870 0.011 0.000 1.055 619 L CA -0.571 54.294 54.840 0.041 0.000 0.863 619 L CB 0.857 42.937 42.059 0.036 0.000 1.245 619 L HN 0.847 nan 8.230 nan 0.000 0.432 620 M N 2.657 122.263 119.600 0.011 0.000 2.283 620 M HA 0.661 5.141 4.480 0.001 0.000 0.314 620 M C -2.699 173.615 176.300 0.024 0.000 1.153 620 M CA -1.967 53.324 55.300 -0.015 0.000 1.084 620 M CB -0.098 32.495 32.600 -0.012 0.000 1.468 620 M HN 0.011 nan 8.290 nan 0.000 0.474 621 P HA 0.374 nan 4.420 nan 0.000 0.274 621 P C -1.012 176.339 177.300 0.085 0.000 1.237 621 P CA -0.323 62.827 63.100 0.083 0.000 0.793 621 P CB 0.761 32.533 31.700 0.119 0.000 0.977 622 S N -0.879 114.884 115.700 0.105 0.000 2.595 622 S HA 0.676 5.147 4.470 0.001 0.000 0.281 622 S C 0.045 174.702 174.600 0.095 0.000 1.117 622 S CA -0.290 57.969 58.200 0.098 0.000 0.873 622 S CB 2.768 66.030 63.200 0.103 0.000 1.108 622 S HN 0.458 nan 8.310 nan 0.000 0.477 623 E N 0.797 121.047 120.200 0.084 0.000 3.952 623 E HA 0.185 4.535 4.350 0.001 0.000 0.223 623 E C 1.490 178.119 176.600 0.049 0.000 1.295 623 E CA 0.727 57.167 56.400 0.066 0.000 1.670 623 E CB -0.443 29.296 29.700 0.066 0.000 1.588 623 E HN 0.608 nan 8.360 nan 0.000 0.664 624 T N 0.305 114.893 114.554 0.056 0.000 2.652 624 T HA -0.135 4.215 4.350 0.001 0.000 0.267 624 T C 1.862 176.581 174.700 0.031 0.000 1.039 624 T CA 1.837 63.958 62.100 0.034 0.000 1.153 624 T CB -0.501 68.417 68.868 0.084 0.000 0.863 624 T HN 0.084 nan 8.240 nan 0.000 0.428 625 S N 1.703 117.461 115.700 0.097 0.000 2.359 625 S HA -0.133 4.338 4.470 0.001 0.000 0.224 625 S C 2.543 177.189 174.600 0.077 0.000 1.035 625 S CA 1.522 59.798 58.200 0.127 0.000 1.018 625 S CB -0.449 62.840 63.200 0.149 0.000 0.876 625 S HN 0.735 nan 8.310 nan 0.000 0.448 626 S N 1.692 117.431 115.700 0.066 0.000 2.402 626 S HA -0.093 4.378 4.470 0.001 0.000 0.229 626 S C 1.801 176.402 174.600 0.001 0.000 1.021 626 S CA 0.617 58.848 58.200 0.052 0.000 0.974 626 S CB -0.466 62.782 63.200 0.080 0.000 0.800 626 S HN 0.486 nan 8.310 nan 0.000 0.484 627 Q N 0.818 120.610 119.800 -0.014 0.000 2.084 627 Q HA 0.023 4.363 4.340 0.001 0.000 0.202 627 Q C 2.188 178.133 176.000 -0.091 0.000 0.978 627 Q CA 1.455 57.226 55.803 -0.054 0.000 0.844 627 Q CB -0.437 28.263 28.738 -0.064 0.000 0.898 627 Q HN 0.601 nan 8.270 nan 0.000 0.426 628 I N 0.086 120.598 120.570 -0.095 0.000 2.394 628 I HA -0.205 3.965 4.170 0.001 0.000 0.251 628 I C 1.687 177.683 176.117 -0.203 0.000 1.136 628 I CA 0.866 62.116 61.300 -0.085 0.000 1.425 628 I CB 0.000 37.959 38.000 -0.069 0.000 1.079 628 I HN 0.012 nan 8.210 nan 0.000 0.425 629 S N 0.130 115.668 115.700 -0.269 0.000 2.575 629 S HA 0.008 4.479 4.470 0.001 0.000 0.215 629 S C 0.729 175.133 174.600 -0.325 0.000 0.966 629 S CA -0.122 57.754 58.200 -0.540 0.000 0.911 629 S CB -0.506 62.572 63.200 -0.203 0.000 0.780 629 S HN 0.512 nan 8.310 nan 0.000 0.514 630 N N 1.064 119.654 118.700 -0.183 0.000 2.714 630 N HA -0.228 4.512 4.740 0.001 0.000 0.252 630 N C -0.272 175.201 175.510 -0.061 0.000 1.014 630 N CA 0.098 53.093 53.050 -0.092 0.000 0.735 630 N CB -0.796 37.658 38.487 -0.054 0.000 0.924 630 N HN 0.465 nan 8.380 nan 0.000 0.540 631 A N 0.561 123.367 122.820 -0.022 0.000 2.306 631 A HA 0.603 4.923 4.320 0.001 0.000 0.330 631 A C 0.695 178.337 177.584 0.097 0.000 1.146 631 A CA 0.073 52.138 52.037 0.047 0.000 0.827 631 A CB 0.946 19.999 19.000 0.089 0.000 1.178 631 A HN 0.473 nan 8.150 nan 0.000 0.490 632 T N -0.155 114.507 114.554 0.179 0.000 2.900 632 T HA 0.213 4.563 4.350 0.001 0.000 0.307 632 T C 0.037 174.857 174.700 0.200 0.000 1.065 632 T CA -0.304 61.920 62.100 0.206 0.000 1.105 632 T CB -0.292 68.765 68.868 0.315 0.000 0.979 632 T HN 0.576 nan 8.240 nan 0.000 0.544 633 N N 1.685 120.486 118.700 0.168 0.000 2.452 633 N HA 0.436 5.177 4.740 0.001 0.000 0.266 633 N C 1.423 177.054 175.510 0.202 0.000 1.175 633 N CA 0.330 53.473 53.050 0.155 0.000 0.945 633 N CB 0.411 38.967 38.487 0.116 0.000 1.063 633 N HN 1.040 nan 8.380 nan 0.000 0.472 634 G N 2.818 111.735 108.800 0.195 0.000 2.684 634 G HA2 -0.371 3.589 3.960 0.001 0.000 0.332 634 G HA3 -0.371 3.589 3.960 0.001 0.000 0.332 634 G C 0.767 175.850 174.900 0.304 0.000 1.306 634 G CA 1.007 46.234 45.100 0.211 0.000 1.002 634 G HN 0.759 nan 8.290 nan 0.000 0.545 635 I N -1.379 119.373 120.570 0.303 0.000 3.875 635 I HA 0.453 4.624 4.170 0.001 0.000 0.329 635 I C 0.167 176.659 176.117 0.624 0.000 1.295 635 I CA 0.021 61.579 61.300 0.429 0.000 1.129 635 I CB 0.275 38.359 38.000 0.140 0.000 1.008 635 I HN 0.079 nan 8.210 nan 0.000 0.413 636 E N 4.084 124.531 120.200 0.412 0.000 2.331 636 E HA 0.346 4.696 4.350 0.001 0.000 0.272 636 E C -2.307 174.389 176.600 0.160 0.000 1.036 636 E CA -2.370 54.176 56.400 0.244 0.000 0.864 636 E CB 0.418 30.179 29.700 0.102 0.000 1.035 636 E HN 0.116 nan 8.360 nan 0.000 0.408 637 P HA 0.161 nan 4.420 nan 0.000 0.271 637 P C -2.446 174.775 177.300 -0.132 0.000 1.216 637 P CA -1.365 61.610 63.100 -0.208 0.000 0.776 637 P CB -0.192 31.133 31.700 -0.625 0.000 0.881 638 P HA 0.211 nan 4.420 nan 0.000 0.271 638 P C 0.865 178.056 177.300 -0.181 0.000 1.218 638 P CA -0.097 62.950 63.100 -0.088 0.000 0.780 638 P CB 1.078 32.728 31.700 -0.083 0.000 0.901 639 R N 1.096 121.498 120.500 -0.163 0.000 2.092 639 R HA 0.084 4.424 4.340 0.001 0.000 0.231 639 R C 1.331 177.558 176.300 -0.122 0.000 1.119 639 R CA 1.491 57.496 56.100 -0.158 0.000 0.970 639 R CB -0.226 30.049 30.300 -0.042 0.000 0.864 639 R HN 0.663 nan 8.270 nan 0.000 0.440 640 G N -2.674 106.039 108.800 -0.144 0.000 2.727 640 G HA2 0.270 4.231 3.960 0.001 0.000 0.289 640 G HA3 0.270 4.231 3.960 0.001 0.000 0.289 640 G C -0.706 174.048 174.900 -0.243 0.000 1.418 640 G CA -0.679 44.297 45.100 -0.206 0.000 0.818 640 G HN -0.013 nan 8.290 nan 0.000 0.486 641 Y N -0.830 119.450 120.300 -0.033 0.000 2.373 641 Y HA 0.215 4.766 4.550 0.001 0.000 0.293 641 Y C 1.308 177.132 175.900 -0.127 0.000 1.129 641 Y CA 0.318 58.370 58.100 -0.081 0.000 1.226 641 Y CB 0.146 38.587 38.460 -0.032 0.000 1.000 641 Y HN 0.093 nan 8.280 nan 0.000 0.549 642 V N -0.341 119.592 119.914 0.032 0.000 2.487 642 V HA 0.343 4.463 4.120 0.001 0.000 0.298 642 V C -0.117 175.972 176.094 -0.007 0.000 1.028 642 V CA -1.138 61.155 62.300 -0.011 0.000 0.860 642 V CB 1.727 33.532 31.823 -0.030 0.000 0.991 642 V HN -0.093 nan 8.190 nan 0.000 0.427 643 S N 4.725 120.420 115.700 -0.008 0.000 2.541 643 S HA 0.744 5.214 4.470 0.001 0.000 0.283 643 S C -0.410 174.192 174.600 0.004 0.000 1.196 643 S CA -0.315 57.885 58.200 -0.000 0.000 1.062 643 S CB 0.881 64.080 63.200 -0.001 0.000 1.009 643 S HN 0.537 nan 8.310 nan 0.000 0.502 644 I N 2.990 123.566 120.570 0.010 0.000 2.466 644 I HA 0.461 4.632 4.170 0.001 0.000 0.289 644 I C -0.689 175.437 176.117 0.015 0.000 1.026 644 I CA -0.612 60.696 61.300 0.013 0.000 1.078 644 I CB 1.901 39.909 38.000 0.014 0.000 1.249 644 I HN 0.337 nan 8.210 nan 0.000 0.429 645 K N 4.165 124.573 120.400 0.014 0.000 2.371 645 K HA 0.772 5.092 4.320 0.001 0.000 0.251 645 K C -0.749 175.860 176.600 0.015 0.000 0.934 645 K CA -0.464 55.830 56.287 0.012 0.000 0.798 645 K CB 2.236 34.737 32.500 0.002 0.000 1.204 645 K HN 0.604 nan 8.250 nan 0.000 0.427 646 A N 1.309 124.138 122.820 0.016 0.000 2.401 646 A HA 0.554 4.874 4.320 0.001 0.000 0.259 646 A C -0.348 177.245 177.584 0.014 0.000 1.103 646 A CA 0.025 52.072 52.037 0.017 0.000 0.789 646 A CB 0.419 19.430 19.000 0.018 0.000 1.035 646 A HN 0.507 nan 8.150 nan 0.000 0.491 647 S N 1.071 116.782 115.700 0.018 0.000 2.541 647 S HA 0.422 4.892 4.470 0.001 0.000 0.271 647 S C 0.916 175.530 174.600 0.023 0.000 1.133 647 S CA -0.304 57.906 58.200 0.016 0.000 0.876 647 S CB 1.203 64.410 63.200 0.012 0.000 1.105 647 S HN 0.822 nan 8.310 nan 0.000 0.470 648 K N 2.100 122.513 120.400 0.021 0.000 2.211 648 K HA -0.097 4.223 4.320 0.001 0.000 0.204 648 K C 0.259 176.880 176.600 0.035 0.000 1.047 648 K CA 1.719 58.021 56.287 0.025 0.000 0.935 648 K CB -0.688 31.824 32.500 0.021 0.000 0.728 648 K HN 0.609 nan 8.250 nan 0.000 0.452 649 D N 1.037 121.463 120.400 0.043 0.000 2.355 649 D HA 0.154 4.794 4.640 0.001 0.000 0.218 649 D C 0.863 177.212 176.300 0.081 0.000 1.004 649 D CA 1.093 55.134 54.000 0.068 0.000 0.880 649 D CB 0.543 41.394 40.800 0.085 0.000 0.911 649 D HN 0.532 nan 8.370 nan 0.000 0.528 650 G N 0.131 108.970 108.800 0.064 0.000 2.343 650 G HA2 -0.079 3.882 3.960 0.001 0.000 0.465 650 G HA3 -0.079 3.882 3.960 0.001 0.000 0.465 650 G C -0.958 173.978 174.900 0.060 0.000 1.282 650 G CA -1.040 44.095 45.100 0.059 0.000 0.996 650 G HN 0.076 nan 8.290 nan 0.000 0.521 651 I N 0.689 121.287 120.570 0.047 0.000 2.517 651 I HA 0.222 4.393 4.170 0.001 0.000 0.285 651 I C 0.618 176.779 176.117 0.074 0.000 1.106 651 I CA 0.029 61.355 61.300 0.042 0.000 1.402 651 I CB 0.551 38.563 38.000 0.020 0.000 1.399 651 I HN 0.309 nan 8.210 nan 0.000 0.535 652 L N 8.148 129.412 121.223 0.070 0.000 2.261 652 L HA 0.395 4.736 4.340 0.001 0.000 0.289 652 L C 0.194 177.101 176.870 0.063 0.000 1.059 652 L CA -0.199 54.696 54.840 0.093 0.000 0.816 652 L CB 0.291 42.365 42.059 0.025 0.000 1.191 652 L HN 0.578 nan 8.230 nan 0.000 0.431 653 R N 3.314 123.864 120.500 0.084 0.000 2.604 653 R HA 0.524 4.864 4.340 0.001 0.000 0.287 653 R C -0.886 175.435 176.300 0.035 0.000 0.970 653 R CA -0.664 55.460 56.100 0.039 0.000 0.946 653 R CB 2.185 32.495 30.300 0.016 0.000 1.127 653 R HN 0.491 nan 8.270 nan 0.000 0.473 654 Q N 1.935 121.738 119.800 0.005 0.000 2.285 654 Q HA 0.335 4.675 4.340 0.001 0.000 0.269 654 Q C -1.533 174.458 176.000 -0.015 0.000 1.030 654 Q CA -0.666 55.130 55.803 -0.011 0.000 0.788 654 Q CB 2.337 31.062 28.738 -0.021 0.000 1.266 654 Q HN 0.374 nan 8.270 nan 0.000 0.438 655 V N 3.817 123.722 119.914 -0.014 0.000 2.439 655 V HA 0.298 4.418 4.120 0.001 0.000 0.282 655 V C 0.458 176.569 176.094 0.029 0.000 1.039 655 V CA -0.848 61.443 62.300 -0.014 0.000 0.913 655 V CB 1.112 32.912 31.823 -0.038 0.000 0.983 655 V HN 0.699 nan 8.190 nan 0.000 0.460 656 V N 3.656 123.589 119.914 0.031 0.000 2.843 656 V HA 0.119 4.239 4.120 0.001 0.000 0.305 656 V C -1.855 174.324 176.094 0.141 0.000 1.120 656 V CA -1.097 61.223 62.300 0.033 0.000 1.254 656 V CB -0.624 31.086 31.823 -0.188 0.000 0.901 656 V HN 0.805 nan 8.190 nan 0.000 0.503 657 P HA 0.072 nan 4.420 nan 0.000 0.265 657 P C 0.122 177.554 177.300 0.219 0.000 1.193 657 P CA 0.641 63.731 63.100 -0.017 0.000 0.765 657 P CB 0.252 31.619 31.700 -0.554 0.000 0.823 658 D N 1.431 121.987 120.400 0.260 0.000 2.708 658 D HA -0.276 4.364 4.640 0.001 0.000 0.236 658 D C 0.482 177.054 176.300 0.453 0.000 1.146 658 D CA 0.639 54.866 54.000 0.378 0.000 0.662 658 D CB -1.708 39.352 40.800 0.434 0.000 1.059 658 D HN 0.501 nan 8.370 nan 0.000 0.428 659 Y N 0.498 120.981 120.300 0.304 0.000 2.114 659 Y HA -0.275 4.276 4.550 0.001 0.000 0.282 659 Y C 2.212 178.251 175.900 0.231 0.000 1.165 659 Y CA 2.756 61.015 58.100 0.264 0.000 1.148 659 Y CB -0.250 38.269 38.460 0.099 0.000 0.972 659 Y HN 0.368 nan 8.280 nan 0.000 0.504 660 E N -1.000 119.315 120.200 0.191 0.000 2.108 660 E HA -0.318 4.033 4.350 0.001 0.000 0.203 660 E C 1.705 178.186 176.600 -0.199 0.000 1.022 660 E CA 2.084 58.448 56.400 -0.060 0.000 0.823 660 E CB -0.329 29.269 29.700 -0.170 0.000 0.744 660 E HN 0.701 nan 8.360 nan 0.000 0.456 661 H N -1.546 117.560 119.070 0.060 0.000 2.654 661 H HA 0.156 4.713 4.556 0.001 0.000 0.264 661 H C 1.405 176.665 175.328 -0.112 0.000 0.954 661 H CA 0.496 56.532 56.048 -0.019 0.000 1.199 661 H CB 0.711 30.470 29.762 -0.006 0.000 1.446 661 H HN 0.216 nan 8.280 nan 0.000 0.516 662 L N 1.289 122.532 121.223 0.034 0.000 2.966 662 L HA 0.058 4.398 4.340 0.001 0.000 0.262 662 L C 2.218 179.097 176.870 0.015 0.000 1.165 662 L CA -0.053 54.770 54.840 -0.028 0.000 0.978 662 L CB 0.023 42.089 42.059 0.012 0.000 1.337 662 L HN 0.301 nan 8.230 nan 0.000 0.563 663 H N -0.407 118.593 119.070 -0.117 0.000 2.394 663 H HA -0.194 4.362 4.556 0.001 0.000 0.297 663 H C 0.633 176.014 175.328 0.089 0.000 1.113 663 H CA 1.708 57.625 56.048 -0.219 0.000 1.277 663 H CB -0.251 28.837 29.762 -1.122 0.000 1.370 663 H HN 0.349 nan 8.280 nan 0.000 0.506 664 D N 1.264 121.462 120.400 -0.337 0.000 2.234 664 D HA 0.067 4.708 4.640 0.001 0.000 0.205 664 D C 2.350 178.649 176.300 -0.001 0.000 0.962 664 D CA 1.106 55.048 54.000 -0.096 0.000 0.855 664 D CB -0.161 40.517 40.800 -0.203 0.000 0.951 664 D HN 0.550 nan 8.370 nan 0.000 0.500 665 A N 0.329 123.115 122.820 -0.057 0.000 1.968 665 A HA -0.113 4.207 4.320 0.001 0.000 0.217 665 A C 0.643 178.225 177.584 -0.003 0.000 1.169 665 A CA 0.443 52.437 52.037 -0.072 0.000 0.638 665 A CB -0.636 18.258 19.000 -0.176 0.000 0.812 665 A HN 0.107 nan 8.150 nan 0.000 0.446 666 Y N 0.416 120.790 120.300 0.124 0.000 2.597 666 Y HA 0.229 4.779 4.550 0.001 0.000 0.336 666 Y C 0.755 176.750 175.900 0.159 0.000 1.216 666 Y CA 0.474 58.687 58.100 0.189 0.000 1.463 666 Y CB 0.383 39.035 38.460 0.320 0.000 1.303 666 Y HN 0.366 nan 8.280 nan 0.000 0.576 667 E N 4.430 124.826 120.200 0.327 0.000 2.141 667 E HA 0.328 4.678 4.350 0.001 0.000 0.259 667 E C -1.219 175.442 176.600 0.102 0.000 0.883 667 E CA -0.465 56.057 56.400 0.204 0.000 0.744 667 E CB 0.445 30.270 29.700 0.207 0.000 1.150 667 E HN 0.601 nan 8.360 nan 0.000 0.420 668 L N 4.389 125.617 121.223 0.009 0.000 2.467 668 L HA 0.002 4.343 4.340 0.001 0.000 0.270 668 L C 1.700 178.457 176.870 -0.188 0.000 1.205 668 L CA -0.356 54.406 54.840 -0.130 0.000 0.828 668 L CB 0.223 42.162 42.059 -0.201 0.000 1.101 668 L HN 0.704 nan 8.230 nan 0.000 0.479 669 L N 1.886 122.901 121.223 -0.347 0.000 1.997 669 L HA -0.210 4.130 4.340 0.001 0.000 0.216 669 L C 1.711 178.254 176.870 -0.545 0.000 1.074 669 L CA 2.129 56.607 54.840 -0.603 0.000 0.763 669 L CB -0.475 41.026 42.059 -0.930 0.000 0.890 669 L HN 0.579 nan 8.230 nan 0.000 0.434 670 W N -0.565 120.687 121.300 -0.080 0.000 3.180 670 W HA 0.085 4.745 4.660 0.001 0.000 0.254 670 W C 2.067 178.565 176.519 -0.035 0.000 1.318 670 W CA 0.024 57.338 57.345 -0.053 0.000 1.608 670 W CB -0.115 29.324 29.460 -0.036 0.000 1.124 670 W HN 0.206 nan 8.180 nan 0.000 0.694 671 E N 0.413 120.678 120.200 0.109 0.000 2.427 671 E HA -0.018 4.333 4.350 0.001 0.000 0.196 671 E C 0.869 177.508 176.600 0.066 0.000 1.028 671 E CA 0.283 56.736 56.400 0.087 0.000 0.864 671 E CB -0.045 29.698 29.700 0.072 0.000 0.813 671 E HN 0.233 nan 8.360 nan 0.000 0.514 672 M N 1.549 121.168 119.600 0.032 0.000 2.217 672 M HA 0.057 4.537 4.480 0.001 0.000 0.352 672 M C -1.790 174.542 176.300 0.053 0.000 1.376 672 M CA -1.370 53.948 55.300 0.030 0.000 1.107 672 M CB 0.403 32.983 32.600 -0.033 0.000 1.723 672 M HN -0.197 nan 8.290 nan 0.000 0.461 673 P HA 0.041 nan 4.420 nan 0.000 0.226 673 P C 0.401 177.728 177.300 0.046 0.000 1.153 673 P CA 0.551 63.675 63.100 0.039 0.000 0.777 673 P CB 0.372 32.095 31.700 0.039 0.000 0.794 674 G N -1.674 107.164 108.800 0.063 0.000 2.554 674 G HA2 0.116 4.076 3.960 0.001 0.000 0.306 674 G HA3 0.116 4.076 3.960 0.001 0.000 0.306 674 G C -0.340 174.596 174.900 0.060 0.000 1.320 674 G CA -0.413 44.736 45.100 0.082 0.000 0.800 674 G HN -0.232 nan 8.290 nan 0.000 0.481 675 N N -0.434 118.309 118.700 0.071 0.000 2.373 675 N HA 0.026 4.766 4.740 0.001 0.000 0.181 675 N C 1.018 176.648 175.510 0.200 0.000 1.082 675 N CA 0.666 53.771 53.050 0.092 0.000 0.885 675 N CB 0.593 39.105 38.487 0.042 0.000 0.977 675 N HN 0.530 nan 8.380 nan 0.000 0.462 676 D N 0.855 121.365 120.400 0.184 0.000 2.106 676 D HA -0.143 4.497 4.640 0.001 0.000 0.191 676 D C 2.059 178.464 176.300 0.174 0.000 0.997 676 D CA 1.626 55.745 54.000 0.198 0.000 0.834 676 D CB -0.396 40.510 40.800 0.176 0.000 0.956 676 D HN 0.242 nan 8.370 nan 0.000 0.448 677 G N -0.427 108.472 108.800 0.165 0.000 2.418 677 G HA2 -0.324 3.637 3.960 0.001 0.000 0.217 677 G HA3 -0.324 3.637 3.960 0.001 0.000 0.217 677 G C 1.495 176.513 174.900 0.196 0.000 1.158 677 G CA 0.825 46.013 45.100 0.148 0.000 0.771 677 G HN 0.350 nan 8.290 nan 0.000 0.545 678 Y N 1.075 121.471 120.300 0.160 0.000 2.181 678 Y HA 0.001 4.552 4.550 0.001 0.000 0.288 678 Y C 2.506 178.485 175.900 0.131 0.000 1.146 678 Y CA 1.326 59.556 58.100 0.217 0.000 1.164 678 Y CB -0.182 38.381 38.460 0.172 0.000 0.982 678 Y HN 0.105 nan 8.280 nan 0.000 0.515 679 L N 0.086 121.412 121.223 0.172 0.000 2.093 679 L HA -0.240 4.100 4.340 0.001 0.000 0.208 679 L C 2.531 179.373 176.870 -0.047 0.000 1.085 679 L CA 1.445 56.334 54.840 0.082 0.000 0.755 679 L CB -0.596 41.610 42.059 0.245 0.000 0.904 679 L HN 0.327 nan 8.230 nan 0.000 0.435 680 Q N -0.138 119.588 119.800 -0.123 0.000 2.084 680 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 680 Q C 2.389 178.217 176.000 -0.287 0.000 0.978 680 Q CA 1.272 56.840 55.803 -0.392 0.000 0.844 680 Q CB -0.135 28.352 28.738 -0.419 0.000 0.898 680 Q HN 0.533 nan 8.270 nan 0.000 0.426 681 L N -0.020 121.088 121.223 -0.193 0.000 2.046 681 L HA -0.183 4.158 4.340 0.001 0.000 0.208 681 L C 2.389 179.067 176.870 -0.320 0.000 1.077 681 L CA 0.852 55.578 54.840 -0.190 0.000 0.747 681 L CB -0.563 41.452 42.059 -0.074 0.000 0.896 681 L HN 0.112 nan 8.230 nan 0.000 0.432 682 V N 0.295 119.981 119.914 -0.380 0.000 2.343 682 V HA -0.211 3.909 4.120 0.001 0.000 0.247 682 V C 2.648 178.590 176.094 -0.254 0.000 1.051 682 V CA 1.998 64.076 62.300 -0.369 0.000 1.036 682 V CB -1.231 30.385 31.823 -0.345 0.000 0.654 682 V HN 0.573 nan 8.190 nan 0.000 0.451 683 G N -0.135 108.550 108.800 -0.191 0.000 2.418 683 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 683 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 683 G C 1.586 176.369 174.900 -0.196 0.000 1.158 683 G CA 1.048 46.064 45.100 -0.141 0.000 0.771 683 G HN 0.492 nan 8.290 nan 0.000 0.545 684 I N 0.403 120.837 120.570 -0.226 0.000 2.226 684 I HA -0.185 3.985 4.170 0.001 0.000 0.245 684 I C 2.935 178.931 176.117 -0.201 0.000 1.100 684 I CA 1.036 62.222 61.300 -0.190 0.000 1.374 684 I CB -0.154 37.782 38.000 -0.106 0.000 1.057 684 I HN 0.181 nan 8.210 nan 0.000 0.413 685 M N -0.438 118.947 119.600 -0.359 0.000 2.117 685 M HA -0.255 4.226 4.480 0.001 0.000 0.262 685 M C 2.370 178.548 176.300 -0.204 0.000 1.065 685 M CA 1.683 56.656 55.300 -0.545 0.000 1.114 685 M CB -0.410 31.606 32.600 -0.973 0.000 1.361 685 M HN 0.112 nan 8.290 nan 0.000 0.408 686 Q N 1.073 120.768 119.800 -0.176 0.000 2.291 686 Q HA -0.168 4.173 4.340 0.001 0.000 0.206 686 Q C 1.741 177.761 176.000 0.034 0.000 0.976 686 Q CA 1.575 57.348 55.803 -0.049 0.000 0.875 686 Q CB -0.309 28.401 28.738 -0.047 0.000 0.927 686 Q HN 0.422 nan 8.270 nan 0.000 0.450 687 K N -1.250 119.040 120.400 -0.182 0.000 2.160 687 K HA -0.182 4.138 4.320 0.001 0.000 0.206 687 K C 0.890 177.254 176.600 -0.392 0.000 1.047 687 K CA 1.639 57.662 56.287 -0.439 0.000 0.930 687 K CB -0.100 31.839 32.500 -0.934 0.000 0.720 687 K HN 0.262 nan 8.250 nan 0.000 0.450 688 F N 0.550 120.516 119.950 0.027 0.000 2.514 688 F HA 0.222 4.749 4.527 0.001 0.000 0.281 688 F C 0.709 176.588 175.800 0.132 0.000 1.060 688 F CA -0.606 57.444 58.000 0.083 0.000 1.397 688 F CB 0.055 39.122 39.000 0.112 0.000 1.129 688 F HN -0.189 nan 8.300 nan 0.000 0.620 689 I N 2.378 123.114 120.570 0.276 0.000 2.826 689 I HA -0.151 4.019 4.170 0.001 0.000 0.295 689 I C 1.160 177.332 176.117 0.091 0.000 1.213 689 I CA 0.324 61.735 61.300 0.185 0.000 1.436 689 I CB -0.074 37.995 38.000 0.115 0.000 1.348 689 I HN 0.251 nan 8.210 nan 0.000 0.570 690 D N 4.605 125.067 120.400 0.104 0.000 2.117 690 D HA -0.112 4.529 4.640 0.001 0.000 0.198 690 D C 1.348 177.662 176.300 0.023 0.000 0.982 690 D CA 1.407 55.441 54.000 0.055 0.000 0.828 690 D CB 0.513 41.380 40.800 0.110 0.000 0.967 690 D HN 0.632 nan 8.370 nan 0.000 0.464 691 Q N -0.319 119.513 119.800 0.052 0.000 3.076 691 Q HA 0.335 4.676 4.340 0.001 0.000 0.212 691 Q C 0.484 176.503 176.000 0.033 0.000 1.168 691 Q CA -0.432 55.403 55.803 0.053 0.000 0.333 691 Q CB 0.512 29.287 28.738 0.062 0.000 5.777 691 Q HN -0.087 nan 8.270 nan 0.000 0.315 692 S N -1.091 114.624 115.700 0.026 0.000 2.855 692 S HA 0.692 5.162 4.470 0.001 0.000 0.308 692 S C -1.381 173.222 174.600 0.005 0.000 1.077 692 S CA -0.740 57.473 58.200 0.021 0.000 0.896 692 S CB 0.759 63.975 63.200 0.028 0.000 1.339 692 S HN 0.345 nan 8.310 nan 0.000 0.602 693 I N 1.190 121.760 120.570 -0.000 0.000 2.619 693 I HA 0.297 4.467 4.170 0.001 0.000 0.292 693 I C -0.474 175.643 176.117 0.000 0.000 1.100 693 I CA -0.492 60.801 61.300 -0.012 0.000 1.043 693 I CB 2.431 40.406 38.000 -0.042 0.000 1.239 693 I HN 0.408 nan 8.210 nan 0.000 0.420 694 S N 4.759 120.445 115.700 -0.023 0.000 4.085 694 S HA 0.298 4.769 4.470 0.001 0.000 0.189 694 S C 0.490 175.199 174.600 0.182 0.000 1.392 694 S CA -0.509 57.664 58.200 -0.046 0.000 0.972 694 S CB -0.429 62.639 63.200 -0.220 0.000 1.482 694 S HN 0.620 nan 8.310 nan 0.000 0.446 695 A N 2.903 125.850 122.820 0.210 0.000 2.454 695 A HA 0.269 4.589 4.320 0.001 0.000 0.260 695 A C 0.479 178.281 177.584 0.363 0.000 1.106 695 A CA -0.442 51.789 52.037 0.323 0.000 0.780 695 A CB 0.160 19.309 19.000 0.248 0.000 1.044 695 A HN 0.651 nan 8.150 nan 0.000 0.498 696 N N 0.774 119.679 118.700 0.342 0.000 2.509 696 N HA 0.458 5.198 4.740 0.001 0.000 0.287 696 N C -0.126 175.420 175.510 0.061 0.000 1.121 696 N CA -0.097 53.035 53.050 0.138 0.000 0.977 696 N CB 1.480 39.952 38.487 -0.025 0.000 1.167 696 N HN 0.767 nan 8.380 nan 0.000 0.476 697 T N -0.901 113.696 114.554 0.071 0.000 2.895 697 T HA 0.454 4.805 4.350 0.001 0.000 0.283 697 T C -0.614 174.017 174.700 -0.115 0.000 1.014 697 T CA -0.985 61.113 62.100 -0.003 0.000 1.037 697 T CB 1.391 70.380 68.868 0.202 0.000 1.006 697 T HN 0.373 nan 8.240 nan 0.000 0.468 698 N N 1.283 119.750 118.700 -0.389 0.000 2.310 698 N HA 0.375 5.115 4.740 0.001 0.000 0.292 698 N C -1.904 173.381 175.510 -0.375 0.000 1.049 698 N CA -0.510 52.391 53.050 -0.250 0.000 0.849 698 N CB 2.349 40.594 38.487 -0.403 0.000 1.532 698 N HN 0.658 nan 8.380 nan 0.000 0.479 699 Y N -0.260 120.325 120.300 0.475 0.000 2.396 699 Y HA 0.189 4.739 4.550 0.001 0.000 0.332 699 Y C -0.580 175.516 175.900 0.326 0.000 1.034 699 Y CA -0.957 57.399 58.100 0.426 0.000 1.057 699 Y CB 1.812 40.428 38.460 0.259 0.000 1.220 699 Y HN 0.374 nan 8.280 nan 0.000 0.440 700 D N 5.110 125.758 120.400 0.414 0.000 2.412 700 D HA 0.321 4.961 4.640 0.001 0.000 0.224 700 D C -2.048 174.391 176.300 0.233 0.000 1.093 700 D CA -2.584 51.447 54.000 0.051 0.000 0.850 700 D CB 1.926 42.705 40.800 -0.035 0.000 1.046 700 D HN 0.185 nan 8.370 nan 0.000 0.507 701 P HA -0.186 nan 4.420 nan 0.000 0.217 701 P C 1.319 178.733 177.300 0.190 0.000 1.151 701 P CA 1.294 64.525 63.100 0.220 0.000 0.849 701 P CB 0.130 31.871 31.700 0.068 0.000 0.787 702 S N -1.011 114.722 115.700 0.055 0.000 2.474 702 S HA -0.096 4.375 4.470 0.001 0.000 0.235 702 S C 1.815 176.406 174.600 -0.015 0.000 0.997 702 S CA 0.648 58.856 58.200 0.013 0.000 0.949 702 S CB -0.790 62.390 63.200 -0.033 0.000 0.766 702 S HN 0.136 nan 8.310 nan 0.000 0.517 703 R N -0.433 120.025 120.500 -0.070 0.000 2.299 703 R HA 0.296 4.636 4.340 0.001 0.000 0.197 703 R C -0.672 175.361 176.300 -0.445 0.000 0.971 703 R CA 0.249 56.179 56.100 -0.283 0.000 1.030 703 R CB 0.025 30.067 30.300 -0.430 0.000 0.932 703 R HN 0.436 nan 8.270 nan 0.000 0.477 704 F N 0.529 120.506 119.950 0.046 0.000 2.522 704 F HA 0.371 4.898 4.527 0.001 0.000 0.324 704 F C -1.965 173.851 175.800 0.027 0.000 1.077 704 F CA -3.232 54.794 58.000 0.044 0.000 0.944 704 F CB 0.996 40.025 39.000 0.048 0.000 1.175 704 F HN -0.280 nan 8.300 nan 0.000 0.468 705 P HA 0.080 nan 4.420 nan 0.000 0.265 705 P C 0.043 177.406 177.300 0.105 0.000 1.193 705 P CA 0.545 63.718 63.100 0.121 0.000 0.765 705 P CB 0.659 32.423 31.700 0.105 0.000 0.823 706 S N 1.540 117.282 115.700 0.070 0.000 3.127 706 S HA -0.190 4.280 4.470 0.001 0.000 0.281 706 S C 1.225 175.857 174.600 0.053 0.000 1.293 706 S CA 1.197 59.427 58.200 0.050 0.000 1.156 706 S CB -2.305 60.919 63.200 0.039 0.000 1.389 706 S HN 1.123 nan 8.310 nan 0.000 0.672 707 G N 1.008 109.857 108.800 0.082 0.000 2.176 707 G HA2 -0.340 3.620 3.960 0.001 0.000 0.252 707 G HA3 -0.340 3.620 3.960 0.001 0.000 0.252 707 G C -0.323 174.624 174.900 0.077 0.000 1.024 707 G CA 0.851 46.002 45.100 0.085 0.000 0.755 707 G HN 1.202 nan 8.290 nan 0.000 0.507 708 K N -0.747 119.698 120.400 0.074 0.000 2.397 708 K HA 0.721 5.041 4.320 0.001 0.000 0.253 708 K C -0.246 176.281 176.600 -0.121 0.000 0.932 708 K CA -1.220 55.062 56.287 -0.008 0.000 0.795 708 K CB 2.900 35.385 32.500 -0.026 0.000 1.159 708 K HN 0.080 nan 8.250 nan 0.000 0.424 709 V N 3.650 123.401 119.914 -0.272 0.000 2.479 709 V HA 0.131 4.251 4.120 0.001 0.000 0.281 709 V C -1.946 173.849 176.094 -0.498 0.000 1.031 709 V CA -1.191 60.704 62.300 -0.675 0.000 1.038 709 V CB -0.043 31.426 31.823 -0.589 0.000 0.981 709 V HN 0.771 nan 8.190 nan 0.000 0.478 710 P HA 0.239 nan 4.420 nan 0.000 0.279 710 P C 0.561 177.721 177.300 -0.234 0.000 1.239 710 P CA -0.658 62.285 63.100 -0.261 0.000 0.789 710 P CB 0.692 32.299 31.700 -0.155 0.000 0.933 711 M N 2.390 121.905 119.600 -0.141 0.000 2.202 711 M HA -0.206 4.274 4.480 0.001 0.000 0.262 711 M C 1.865 178.128 176.300 -0.061 0.000 1.063 711 M CA 1.861 57.104 55.300 -0.096 0.000 1.097 711 M CB -0.981 31.591 32.600 -0.047 0.000 1.382 711 M HN 0.336 nan 8.290 nan 0.000 0.413 712 Q N -0.140 119.633 119.800 -0.046 0.000 2.061 712 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 712 Q C 2.129 178.136 176.000 0.011 0.000 0.984 712 Q CA 2.383 58.182 55.803 -0.008 0.000 0.846 712 Q CB -0.393 28.350 28.738 0.009 0.000 0.902 712 Q HN 0.664 nan 8.270 nan 0.000 0.421 713 Q N -0.535 119.261 119.800 -0.007 0.000 2.083 713 Q HA -0.020 4.321 4.340 0.001 0.000 0.198 713 Q C 1.913 177.953 176.000 0.066 0.000 0.969 713 Q CA 1.334 57.176 55.803 0.065 0.000 0.838 713 Q CB -0.215 28.576 28.738 0.089 0.000 0.900 713 Q HN 0.523 nan 8.270 nan 0.000 0.436 714 L N -0.362 120.812 121.223 -0.081 0.000 2.042 714 L HA -0.211 4.129 4.340 0.001 0.000 0.210 714 L C 2.278 179.197 176.870 0.082 0.000 1.076 714 L CA 1.145 55.947 54.840 -0.063 0.000 0.749 714 L CB -0.549 41.413 42.059 -0.162 0.000 0.893 714 L HN 0.280 nan 8.230 nan 0.000 0.432 715 L N -0.387 120.872 121.223 0.059 0.000 2.072 715 L HA -0.182 4.158 4.340 0.001 0.000 0.205 715 L C 2.670 179.583 176.870 0.072 0.000 1.079 715 L CA 0.889 55.773 54.840 0.074 0.000 0.752 715 L CB -0.428 41.645 42.059 0.024 0.000 0.906 715 L HN 0.175 nan 8.230 nan 0.000 0.436 716 K N 0.664 121.108 120.400 0.073 0.000 2.044 716 K HA -0.225 4.096 4.320 0.001 0.000 0.210 716 K C 1.647 178.319 176.600 0.119 0.000 1.049 716 K CA 1.925 58.261 56.287 0.081 0.000 0.927 716 K CB -0.237 32.322 32.500 0.098 0.000 0.713 716 K HN 0.164 nan 8.250 nan 0.000 0.443 717 D N 0.021 120.532 120.400 0.185 0.000 2.144 717 D HA -0.137 4.503 4.640 0.001 0.000 0.200 717 D C 1.830 178.255 176.300 0.210 0.000 0.978 717 D CA 0.948 55.086 54.000 0.230 0.000 0.833 717 D CB -0.248 40.753 40.800 0.336 0.000 0.961 717 D HN 0.192 nan 8.370 nan 0.000 0.470 718 L N 0.442 121.788 121.223 0.205 0.000 2.042 718 L HA -0.127 4.213 4.340 0.001 0.000 0.210 718 L C 2.096 179.032 176.870 0.109 0.000 1.076 718 L CA 1.435 56.405 54.840 0.216 0.000 0.749 718 L CB -0.369 41.857 42.059 0.278 0.000 0.893 718 L HN 0.009 nan 8.230 nan 0.000 0.432 719 L N -1.577 119.662 121.223 0.026 0.000 2.109 719 L HA -0.148 4.192 4.340 0.001 0.000 0.207 719 L C 2.329 179.164 176.870 -0.058 0.000 1.086 719 L CA 1.378 56.156 54.840 -0.104 0.000 0.760 719 L CB -0.929 41.065 42.059 -0.108 0.000 0.910 719 L HN 0.237 nan 8.230 nan 0.000 0.437 720 T N 0.040 114.598 114.554 0.006 0.000 2.708 720 T HA -0.194 4.156 4.350 0.001 0.000 0.266 720 T C 2.056 176.790 174.700 0.057 0.000 1.037 720 T CA 1.394 63.491 62.100 -0.005 0.000 1.146 720 T CB -0.232 68.715 68.868 0.131 0.000 0.865 720 T HN 0.445 nan 8.240 nan 0.000 0.435 721 A N 0.612 123.523 122.820 0.151 0.000 1.865 721 A HA -0.161 4.160 4.320 0.001 0.000 0.217 721 A C 2.093 179.766 177.584 0.148 0.000 1.191 721 A CA 1.901 54.052 52.037 0.191 0.000 0.623 721 A CB -1.226 17.906 19.000 0.219 0.000 0.826 721 A HN 0.600 nan 8.150 nan 0.000 0.444 722 Y N 0.470 120.754 120.300 -0.026 0.000 2.128 722 Y HA -0.248 4.303 4.550 0.001 0.000 0.284 722 Y C 2.441 178.365 175.900 0.040 0.000 1.154 722 Y CA 2.492 60.569 58.100 -0.040 0.000 1.149 722 Y CB -0.178 38.002 38.460 -0.467 0.000 0.976 722 Y HN 0.321 nan 8.280 nan 0.000 0.505 723 K N -0.783 119.593 120.400 -0.038 0.000 2.147 723 K HA -0.161 4.159 4.320 0.001 0.000 0.205 723 K C 1.051 177.459 176.600 -0.319 0.000 1.049 723 K CA 1.423 57.577 56.287 -0.221 0.000 0.936 723 K CB -0.339 31.917 32.500 -0.407 0.000 0.722 723 K HN 0.308 nan 8.250 nan 0.000 0.446 724 F N 0.113 120.022 119.950 -0.067 0.000 2.732 724 F HA 0.248 4.776 4.527 0.001 0.000 0.303 724 F C 1.340 177.014 175.800 -0.210 0.000 1.110 724 F CA 0.404 58.338 58.000 -0.110 0.000 1.355 724 F CB 0.439 39.403 39.000 -0.061 0.000 1.081 724 F HN 0.259 nan 8.300 nan 0.000 0.565 725 G N 0.234 108.907 108.800 -0.211 0.000 2.136 725 G HA2 -0.260 3.700 3.960 0.001 0.000 0.242 725 G HA3 -0.260 3.700 3.960 0.001 0.000 0.242 725 G C 0.151 174.902 174.900 -0.249 0.000 0.989 725 G CA 0.062 44.810 45.100 -0.586 0.000 0.682 725 G HN 0.126 nan 8.290 nan 0.000 0.522 726 V N 0.637 120.550 119.914 -0.002 0.000 2.540 726 V HA 0.095 4.215 4.120 0.001 0.000 0.297 726 V C 1.758 177.965 176.094 0.187 0.000 1.024 726 V CA 1.354 63.707 62.300 0.089 0.000 1.105 726 V CB 1.206 33.108 31.823 0.132 0.000 0.938 726 V HN 0.458 nan 8.190 nan 0.000 0.482 727 K N 2.177 122.666 120.400 0.150 0.000 2.098 727 K HA 0.045 4.366 4.320 0.001 0.000 0.203 727 K C 0.773 177.484 176.600 0.186 0.000 1.051 727 K CA 1.196 57.592 56.287 0.182 0.000 0.957 727 K CB 0.207 32.784 32.500 0.128 0.000 0.738 727 K HN 0.900 nan 8.250 nan 0.000 0.447 728 T N -1.916 112.740 114.554 0.170 0.000 2.896 728 T HA 0.588 4.938 4.350 0.001 0.000 0.297 728 T C -0.821 174.010 174.700 0.219 0.000 1.108 728 T CA -0.981 61.236 62.100 0.195 0.000 1.004 728 T CB 1.662 70.621 68.868 0.153 0.000 1.159 728 T HN -0.108 nan 8.240 nan 0.000 0.499 729 L N 2.100 123.484 121.223 0.267 0.000 2.381 729 L HA 0.548 4.888 4.340 0.001 0.000 0.274 729 L C -1.070 176.006 176.870 0.344 0.000 0.988 729 L CA -1.101 53.918 54.840 0.298 0.000 0.824 729 L CB 1.790 44.037 42.059 0.314 0.000 1.263 729 L HN 0.702 nan 8.230 nan 0.000 0.410 733 N N 2.420 121.228 118.700 0.180 0.000 2.421 733 N HA 0.416 5.156 4.740 0.001 0.000 0.285 733 N C -1.218 174.530 175.510 0.398 0.000 1.027 733 N CA -0.103 53.090 53.050 0.237 0.000 0.918 733 N CB 1.945 40.537 38.487 0.174 0.000 1.152 733 N HN 0.433 nan 8.380 nan 0.000 0.485 734 T N 1.186 115.930 114.554 0.316 0.000 2.786 734 T HA 0.260 4.610 4.350 0.001 0.000 0.283 734 T C 0.512 175.248 174.700 0.061 0.000 0.992 734 T CA -0.666 61.574 62.100 0.234 0.000 0.954 734 T CB 1.593 70.543 68.868 0.137 0.000 0.934 734 T HN 0.272 nan 8.240 nan 0.000 0.440 735 R N 2.842 123.137 120.500 -0.341 0.000 2.484 735 R HA 0.055 4.396 4.340 0.001 0.000 0.293 735 R C -0.167 175.944 176.300 -0.315 0.000 1.023 735 R CA -0.176 55.497 56.100 -0.711 0.000 1.037 735 R CB 0.125 29.459 30.300 -1.610 0.000 0.951 735 R HN 0.779 nan 8.270 nan 0.000 0.418 736 D N 3.363 123.649 120.400 -0.190 0.000 2.325 736 D HA 0.484 5.124 4.640 0.001 0.000 0.251 736 D C 0.224 176.449 176.300 -0.125 0.000 1.196 736 D CA 0.051 53.988 54.000 -0.106 0.000 0.866 736 D CB 1.355 42.131 40.800 -0.040 0.000 1.101 736 D HN 0.739 nan 8.370 nan 0.000 0.476 737 G N 0.000 108.739 108.800 -0.101 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.046 45.100 -0.089 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925