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 2xax_1_C 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 LGSPIRGGEA FHTGXXXXXX 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 FGVKTLXAQN 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 0.000 175.516 175.510 0.011 0.000 1.280 4 N CA 0.000 53.057 53.050 0.011 0.000 0.885 4 N CB 0.000 38.492 38.487 0.008 0.000 1.341 5 L N 0.965 122.192 121.223 0.006 0.000 2.142 5 L HA -0.034 4.307 4.340 0.002 0.000 0.520 5 L C -2.010 174.840 176.870 -0.033 0.000 1.000 5 L CA -0.072 54.766 54.840 -0.004 0.000 1.127 5 L CB -0.234 41.829 42.059 0.006 0.000 1.974 5 L HN 0.306 nan 8.230 nan 0.000 1.081 6 L N 4.581 125.775 121.223 -0.048 0.000 2.323 6 L HA 0.864 5.205 4.340 0.002 0.000 0.265 6 L C -0.624 176.177 176.870 -0.114 0.000 1.012 6 L CA -0.614 54.188 54.840 -0.064 0.000 0.820 6 L CB 2.135 44.172 42.059 -0.035 0.000 1.334 6 L HN 0.269 nan 8.230 nan 0.000 0.427 7 V N 0.230 120.073 119.914 -0.118 0.000 2.488 7 V HA 0.240 4.361 4.120 0.002 0.000 0.293 7 V C -0.208 175.814 176.094 -0.120 0.000 1.027 7 V CA -0.716 61.485 62.300 -0.165 0.000 0.862 7 V CB 1.474 33.182 31.823 -0.192 0.000 1.008 7 V HN 0.708 nan 8.190 nan 0.000 0.428 8 T N 5.743 120.230 114.554 -0.113 0.000 2.759 8 T HA 0.069 4.420 4.350 0.002 0.000 0.273 8 T C 0.395 175.048 174.700 -0.078 0.000 0.938 8 T CA 0.401 62.457 62.100 -0.073 0.000 1.197 8 T CB -0.280 68.559 68.868 -0.048 0.000 0.887 8 T HN 0.387 nan 8.240 nan 0.000 0.540 9 K N 3.457 123.821 120.400 -0.060 0.000 2.237 9 K HA 0.184 4.505 4.320 0.002 0.000 0.270 9 K C 1.534 178.113 176.600 -0.035 0.000 1.015 9 K CA -0.467 55.788 56.287 -0.053 0.000 0.949 9 K CB 0.557 33.035 32.500 -0.037 0.000 0.976 9 K HN 0.490 nan 8.250 nan 0.000 0.472 10 R N 1.501 121.984 120.500 -0.029 0.000 2.362 10 R HA -0.323 4.018 4.340 0.002 0.000 0.211 10 R C 1.256 177.552 176.300 -0.007 0.000 1.022 10 R CA 2.825 58.919 56.100 -0.010 0.000 0.630 10 R CB -1.469 28.833 30.300 0.004 0.000 0.874 10 R HN 0.873 nan 8.270 nan 0.000 0.324 11 D N -2.310 118.086 120.400 -0.006 0.000 1.992 11 D HA 0.041 4.682 4.640 0.002 0.000 0.280 11 D C 1.670 177.966 176.300 -0.006 0.000 1.060 11 D CA 0.954 54.952 54.000 -0.004 0.000 0.877 11 D CB -0.727 40.072 40.800 -0.002 0.000 1.010 11 D HN 0.314 nan 8.370 nan 0.000 0.385 12 G N -1.355 107.442 108.800 -0.007 0.000 2.801 12 G HA2 0.157 4.118 3.960 0.002 0.000 0.213 12 G HA3 0.157 4.118 3.960 0.002 0.000 0.213 12 G C 0.096 174.990 174.900 -0.010 0.000 1.052 12 G CA 0.103 45.199 45.100 -0.007 0.000 0.868 12 G HN 0.462 nan 8.290 nan 0.000 0.589 13 S N 0.918 116.611 115.700 -0.011 0.000 2.559 13 S HA 0.406 4.877 4.470 0.002 0.000 0.282 13 S C 0.339 174.926 174.600 -0.021 0.000 1.336 13 S CA 0.438 58.630 58.200 -0.013 0.000 1.037 13 S CB 1.048 64.240 63.200 -0.012 0.000 0.853 13 S HN 0.667 nan 8.310 nan 0.000 0.523 14 T N -1.110 113.432 114.554 -0.020 0.000 2.887 14 T HA 0.710 5.061 4.350 0.002 0.000 0.288 14 T C -0.920 173.763 174.700 -0.028 0.000 1.021 14 T CA -0.814 61.269 62.100 -0.028 0.000 1.000 14 T CB 1.838 70.692 68.868 -0.023 0.000 1.034 14 T HN 0.747 nan 8.240 nan 0.000 0.467 15 E N 0.875 121.052 120.200 -0.039 0.000 2.449 15 E HA 0.382 4.733 4.350 0.002 0.000 0.278 15 E C -0.742 175.832 176.600 -0.042 0.000 0.992 15 E CA -0.998 55.382 56.400 -0.034 0.000 0.807 15 E CB 2.333 32.014 29.700 -0.031 0.000 1.350 15 E HN 0.664 nan 8.360 nan 0.000 0.462 16 R N 0.684 121.165 120.500 -0.031 0.000 2.694 16 R HA 0.205 4.546 4.340 0.002 0.000 0.268 16 R C 0.325 176.598 176.300 -0.045 0.000 1.061 16 R CA -0.090 55.991 56.100 -0.032 0.000 1.133 16 R CB 0.219 30.509 30.300 -0.017 0.000 1.020 16 R HN 0.377 nan 8.270 nan 0.000 0.475 17 I N 1.283 121.822 120.570 -0.051 0.000 2.474 17 I HA 0.032 4.203 4.170 0.002 0.000 0.287 17 I C -0.246 175.847 176.117 -0.040 0.000 1.048 17 I CA -0.000 61.256 61.300 -0.073 0.000 1.383 17 I CB 0.679 38.623 38.000 -0.094 0.000 1.412 17 I HN 0.436 nan 8.210 nan 0.000 0.531 18 N N 7.026 125.702 118.700 -0.039 0.000 2.955 18 N HA 0.260 5.001 4.740 0.002 0.000 0.242 18 N C 0.523 176.050 175.510 0.028 0.000 1.123 18 N CA -0.186 52.864 53.050 -0.001 0.000 0.949 18 N CB 0.247 38.738 38.487 0.007 0.000 1.214 18 N HN 0.708 nan 8.380 nan 0.000 0.504 19 L N 0.201 121.450 121.223 0.045 0.000 2.141 19 L HA -0.092 4.249 4.340 0.002 0.000 0.209 19 L C 1.117 178.072 176.870 0.142 0.000 1.094 19 L CA 0.774 55.679 54.840 0.107 0.000 0.763 19 L CB -0.073 42.062 42.059 0.126 0.000 0.908 19 L HN 0.280 nan 8.230 nan 0.000 0.437 20 D N 0.163 120.618 120.400 0.092 0.000 2.123 20 D HA -0.174 4.467 4.640 0.002 0.000 0.196 20 D C 2.220 178.595 176.300 0.125 0.000 0.992 20 D CA 0.986 55.043 54.000 0.096 0.000 0.833 20 D CB -0.090 40.741 40.800 0.051 0.000 0.954 20 D HN 0.026 nan 8.370 nan 0.000 0.455 21 K N 0.514 120.966 120.400 0.087 0.000 2.057 21 K HA -0.039 4.282 4.320 0.002 0.000 0.207 21 K C 2.302 178.948 176.600 0.076 0.000 1.049 21 K CA 0.460 56.788 56.287 0.068 0.000 0.931 21 K CB -0.522 32.011 32.500 0.056 0.000 0.714 21 K HN 0.233 nan 8.250 nan 0.000 0.440 22 I N -0.285 120.355 120.570 0.117 0.000 2.179 22 I HA -0.301 3.870 4.170 0.002 0.000 0.242 22 I C 2.435 178.642 176.117 0.149 0.000 1.088 22 I CA 1.415 62.803 61.300 0.147 0.000 1.357 22 I CB -0.366 37.765 38.000 0.218 0.000 1.051 22 I HN 0.264 nan 8.210 nan 0.000 0.409 23 H N 1.084 120.215 119.070 0.103 0.000 2.353 23 H HA -0.150 4.407 4.556 0.002 0.000 0.298 23 H C 2.406 177.759 175.328 0.041 0.000 1.103 23 H CA 1.849 57.942 56.048 0.075 0.000 1.293 23 H CB 0.074 29.876 29.762 0.066 0.000 1.372 23 H HN 0.113 nan 8.280 nan 0.000 0.501 24 R N -0.580 119.958 120.500 0.063 0.000 2.075 24 R HA -0.070 4.271 4.340 0.002 0.000 0.232 24 R C 2.406 178.668 176.300 -0.063 0.000 1.126 24 R CA 1.273 57.371 56.100 -0.003 0.000 0.963 24 R CB -0.146 30.167 30.300 0.022 0.000 0.858 24 R HN 0.215 nan 8.270 nan 0.000 0.435 25 V N 1.631 121.472 119.914 -0.122 0.000 2.392 25 V HA -0.262 3.859 4.120 0.002 0.000 0.249 25 V C 2.283 178.384 176.094 0.011 0.000 1.059 25 V CA 1.676 63.861 62.300 -0.190 0.000 1.051 25 V CB -0.500 31.076 31.823 -0.411 0.000 0.658 25 V HN 0.281 nan 8.190 nan 0.000 0.455 26 L N -0.304 120.884 121.223 -0.058 0.000 2.023 26 L HA -0.147 4.194 4.340 0.002 0.000 0.205 26 L C 2.454 179.245 176.870 -0.132 0.000 1.073 26 L CA 1.888 56.681 54.840 -0.079 0.000 0.745 26 L CB -0.732 41.267 42.059 -0.099 0.000 0.900 26 L HN 0.324 nan 8.230 nan 0.000 0.435 27 D N -0.448 119.819 120.400 -0.220 0.000 2.204 27 D HA -0.313 4.328 4.640 0.002 0.000 0.189 27 D C 1.744 178.003 176.300 -0.069 0.000 1.006 27 D CA 1.986 55.886 54.000 -0.167 0.000 0.855 27 D CB -0.285 40.414 40.800 -0.168 0.000 0.946 27 D HN 0.365 nan 8.370 nan 0.000 0.448 28 W N 1.475 122.667 121.300 -0.180 0.000 2.292 28 W HA -0.273 4.387 4.660 0.002 0.000 0.330 28 W C 2.379 178.819 176.519 -0.131 0.000 1.264 28 W CA 3.076 60.326 57.345 -0.158 0.000 1.235 28 W CB -1.111 28.216 29.460 -0.220 0.000 1.164 28 W HN 0.040 nan 8.180 nan 0.000 0.461 29 A N 0.754 123.247 122.820 -0.545 0.000 2.042 29 A HA -0.128 4.193 4.320 0.002 0.000 0.222 29 A C 2.081 179.390 177.584 -0.459 0.000 1.167 29 A CA 2.897 54.468 52.037 -0.777 0.000 0.649 29 A CB -1.566 17.218 19.000 -0.359 0.000 0.809 29 A HN 0.716 nan 8.150 nan 0.000 0.457 30 A N -0.882 121.755 122.820 -0.304 0.000 2.123 30 A HA 0.208 4.529 4.320 0.002 0.000 0.214 30 A C 0.927 178.363 177.584 -0.246 0.000 1.152 30 A CA 0.558 52.450 52.037 -0.242 0.000 0.728 30 A CB -0.208 18.681 19.000 -0.184 0.000 0.814 30 A HN 0.402 nan 8.150 nan 0.000 0.464 31 E N -0.107 119.936 120.200 -0.261 0.000 2.820 31 E HA 0.239 4.590 4.350 0.002 0.000 0.251 31 E C 1.328 177.790 176.600 -0.230 0.000 0.944 31 E CA 1.209 57.481 56.400 -0.214 0.000 0.955 31 E CB -0.447 29.130 29.700 -0.205 0.000 0.904 31 E HN 0.804 nan 8.360 nan 0.000 0.513 32 G N 3.131 111.803 108.800 -0.213 0.000 2.268 32 G HA2 -0.292 3.669 3.960 0.002 0.000 0.240 32 G HA3 -0.292 3.669 3.960 0.002 0.000 0.240 32 G C 0.407 175.038 174.900 -0.448 0.000 1.010 32 G CA 0.254 45.198 45.100 -0.261 0.000 0.618 32 G HN 0.460 nan 8.290 nan 0.000 0.516 33 L N -0.146 120.836 121.223 -0.401 0.000 2.482 33 L HA 0.673 5.014 4.340 0.002 0.000 0.242 33 L C 0.773 177.274 176.870 -0.616 0.000 1.210 33 L CA -0.555 54.016 54.840 -0.448 0.000 0.819 33 L CB 0.361 42.255 42.059 -0.275 0.000 1.203 33 L HN 0.317 nan 8.230 nan 0.000 0.495 34 H N -1.250 117.760 119.070 -0.100 0.000 2.894 34 H HA 0.254 4.811 4.556 0.002 0.000 0.367 34 H C -0.471 174.788 175.328 -0.114 0.000 1.144 34 H CA -0.787 55.210 56.048 -0.085 0.000 1.180 34 H CB 1.286 31.023 29.762 -0.042 0.000 1.758 34 H HN 0.603 nan 8.280 nan 0.000 0.541 35 N N -0.364 118.362 118.700 0.042 0.000 2.782 35 N HA -0.180 4.561 4.740 0.002 0.000 0.251 35 N C -0.796 174.638 175.510 -0.126 0.000 1.101 35 N CA 0.956 53.998 53.050 -0.013 0.000 0.764 35 N CB -0.532 37.968 38.487 0.021 0.000 1.122 35 N HN 0.325 nan 8.380 nan 0.000 0.561 36 V N -2.691 117.062 119.914 -0.269 0.000 2.547 36 V HA 0.782 4.903 4.120 0.002 0.000 0.299 36 V C 0.377 176.378 176.094 -0.155 0.000 1.040 36 V CA -0.509 61.464 62.300 -0.546 0.000 0.913 36 V CB 2.084 33.319 31.823 -0.980 0.000 0.992 36 V HN 0.099 nan 8.190 nan 0.000 0.449 37 S N 4.169 119.907 115.700 0.063 0.000 2.461 37 S HA 0.488 4.959 4.470 0.002 0.000 0.322 37 S C 0.787 175.434 174.600 0.079 0.000 1.063 37 S CA -0.690 57.556 58.200 0.077 0.000 1.120 37 S CB 0.436 63.699 63.200 0.104 0.000 0.968 37 S HN 0.737 nan 8.310 nan 0.000 0.467 38 I N 4.119 124.699 120.570 0.016 0.000 2.208 38 I HA -0.153 4.018 4.170 0.002 0.000 0.245 38 I C 2.747 178.874 176.117 0.016 0.000 1.097 38 I CA 1.490 62.791 61.300 0.002 0.000 1.363 38 I CB -0.347 37.624 38.000 -0.048 0.000 1.051 38 I HN 0.748 nan 8.210 nan 0.000 0.413 39 S N 0.070 115.785 115.700 0.025 0.000 2.383 39 S HA -0.267 4.204 4.470 0.002 0.000 0.229 39 S C 2.112 176.692 174.600 -0.034 0.000 1.030 39 S CA 1.486 59.686 58.200 0.000 0.000 1.002 39 S CB -0.162 63.043 63.200 0.008 0.000 0.829 39 S HN 0.373 nan 8.310 nan 0.000 0.467 40 Q N 0.515 120.313 119.800 -0.002 0.000 2.079 40 Q HA 0.009 4.350 4.340 0.002 0.000 0.200 40 Q C 2.388 178.358 176.000 -0.050 0.000 0.974 40 Q CA 1.314 57.105 55.803 -0.021 0.000 0.840 40 Q CB -0.882 27.865 28.738 0.015 0.000 0.898 40 Q HN 0.519 nan 8.270 nan 0.000 0.430 41 V N 1.056 120.961 119.914 -0.015 0.000 2.427 41 V HA -0.235 3.886 4.120 0.002 0.000 0.248 41 V C 2.105 178.156 176.094 -0.073 0.000 1.051 41 V CA 1.669 63.956 62.300 -0.022 0.000 1.048 41 V CB -0.357 31.492 31.823 0.044 0.000 0.666 41 V HN 0.387 nan 8.190 nan 0.000 0.456 42 E N 0.074 120.189 120.200 -0.141 0.000 2.023 42 E HA -0.232 4.119 4.350 0.002 0.000 0.196 42 E C 2.229 178.560 176.600 -0.449 0.000 1.003 42 E CA 1.646 57.789 56.400 -0.427 0.000 0.809 42 E CB -0.288 29.111 29.700 -0.501 0.000 0.755 42 E HN 0.486 nan 8.360 nan 0.000 0.449 43 L N 0.414 121.476 121.223 -0.268 0.000 2.013 43 L HA -0.245 4.096 4.340 0.002 0.000 0.212 43 L C 2.572 179.356 176.870 -0.145 0.000 1.073 43 L CA 1.504 56.238 54.840 -0.177 0.000 0.753 43 L CB -0.444 41.549 42.059 -0.111 0.000 0.890 43 L HN 0.046 nan 8.230 nan 0.000 0.432 44 R N -0.372 120.053 120.500 -0.124 0.000 2.189 44 R HA -0.075 4.266 4.340 0.002 0.000 0.218 44 R C 2.454 178.686 176.300 -0.113 0.000 1.074 44 R CA 1.333 57.370 56.100 -0.104 0.000 0.991 44 R CB -0.160 30.083 30.300 -0.096 0.000 0.883 44 R HN 0.512 nan 8.270 nan 0.000 0.457 45 S N -0.880 114.740 115.700 -0.132 0.000 2.460 45 S HA 0.009 4.480 4.470 0.002 0.000 0.226 45 S C 1.673 175.907 174.600 -0.610 0.000 1.057 45 S CA 0.125 58.213 58.200 -0.186 0.000 0.948 45 S CB -0.410 62.795 63.200 0.008 0.000 0.822 45 S HN 0.367 nan 8.310 nan 0.000 0.512 46 H N 0.874 119.482 119.070 -0.770 0.000 2.352 46 H HA 0.002 4.559 4.556 0.002 0.000 0.299 46 H C 1.996 176.895 175.328 -0.714 0.000 1.097 46 H CA 1.384 56.799 56.048 -1.056 0.000 1.311 46 H CB -0.210 29.316 29.762 -0.393 0.000 1.377 46 H HN 0.272 nan 8.280 nan 0.000 0.504 47 I N 1.545 121.972 120.570 -0.238 0.000 2.761 47 I HA -0.265 3.906 4.170 0.002 0.000 0.266 47 I C 1.498 177.566 176.117 -0.082 0.000 1.239 47 I CA 1.476 62.705 61.300 -0.119 0.000 1.451 47 I CB -0.100 37.857 38.000 -0.072 0.000 1.096 47 I HN 0.303 nan 8.210 nan 0.000 0.465 48 Q N -1.135 118.577 119.800 -0.146 0.000 2.282 48 Q HA 0.132 4.473 4.340 0.002 0.000 0.206 48 Q C 0.019 176.187 176.000 0.280 0.000 0.878 48 Q CA -0.283 55.555 55.803 0.058 0.000 0.944 48 Q CB 0.244 29.027 28.738 0.076 0.000 1.100 48 Q HN 0.208 nan 8.270 nan 0.000 0.509 49 F N 1.397 121.386 119.950 0.065 0.000 2.440 49 F HA 0.247 4.774 4.527 0.001 0.000 0.323 49 F C 0.178 176.020 175.800 0.070 0.000 1.192 49 F CA -1.315 56.664 58.000 -0.034 0.000 1.252 49 F CB -0.020 38.902 39.000 -0.130 0.000 1.214 49 F HN 0.001 nan 8.300 nan 0.000 0.578 50 Y N -2.277 118.133 120.300 0.183 0.000 2.521 50 Y HA 0.360 4.911 4.550 0.002 0.000 0.326 50 Y C -1.262 174.657 175.900 0.033 0.000 1.176 50 Y CA -2.143 56.009 58.100 0.086 0.000 1.079 50 Y CB 0.067 38.566 38.460 0.065 0.000 1.341 50 Y HN 0.483 nan 8.280 nan 0.000 0.456 51 D N 2.117 122.617 120.400 0.167 0.000 2.586 51 D HA 0.362 5.003 4.640 0.002 0.000 0.234 51 D C 1.221 177.575 176.300 0.090 0.000 1.132 51 D CA 3.300 57.345 54.000 0.076 0.000 0.860 51 D CB 0.379 41.231 40.800 0.087 0.000 1.159 51 D HN 1.285 nan 8.370 nan 0.000 0.490 52 G N 3.266 112.045 108.800 -0.035 0.000 2.143 52 G HA2 -0.302 3.659 3.960 0.002 0.000 0.248 52 G HA3 -0.302 3.659 3.960 0.002 0.000 0.248 52 G C 0.530 175.384 174.900 -0.078 0.000 0.991 52 G CA -0.003 45.085 45.100 -0.019 0.000 0.689 52 G HN 0.676 nan 8.290 nan 0.000 0.522 53 I N 0.641 120.985 120.570 -0.377 0.000 2.598 53 I HA 0.309 4.480 4.170 0.002 0.000 0.284 53 I C 1.109 177.047 176.117 -0.298 0.000 1.140 53 I CA -0.343 60.607 61.300 -0.583 0.000 1.420 53 I CB 0.327 37.689 38.000 -1.065 0.000 1.387 53 I HN 0.208 nan 8.210 nan 0.000 0.553 54 K N 4.340 124.643 120.400 -0.161 0.000 2.285 54 K HA -0.052 4.269 4.320 0.002 0.000 0.255 54 K C 0.898 177.378 176.600 -0.200 0.000 1.000 54 K CA 0.371 56.585 56.287 -0.122 0.000 0.887 54 K CB 0.936 33.409 32.500 -0.046 0.000 0.997 54 K HN 0.756 nan 8.250 nan 0.000 0.510 55 T N -0.261 114.186 114.554 -0.177 0.000 2.978 55 T HA -0.025 4.326 4.350 0.002 0.000 0.262 55 T C 1.442 175.943 174.700 -0.331 0.000 1.063 55 T CA 1.362 63.302 62.100 -0.266 0.000 1.140 55 T CB 0.014 68.770 68.868 -0.187 0.000 0.886 55 T HN 0.642 nan 8.240 nan 0.000 0.470 56 S N 1.546 117.165 115.700 -0.136 0.000 2.423 56 S HA -0.088 4.383 4.470 0.002 0.000 0.231 56 S C 1.609 176.135 174.600 -0.122 0.000 1.014 56 S CA 0.890 59.075 58.200 -0.025 0.000 0.965 56 S CB -0.264 62.987 63.200 0.085 0.000 0.785 56 S HN 0.510 nan 8.310 nan 0.000 0.495 57 D N 1.714 122.033 120.400 -0.135 0.000 2.103 57 D HA 0.063 4.704 4.640 0.002 0.000 0.199 57 D C 1.891 178.115 176.300 -0.128 0.000 0.978 57 D CA 0.645 54.586 54.000 -0.097 0.000 0.829 57 D CB -0.326 40.433 40.800 -0.068 0.000 0.981 57 D HN 0.318 nan 8.370 nan 0.000 0.464 58 I N 0.703 121.090 120.570 -0.305 0.000 2.194 58 I HA -0.325 3.846 4.170 0.002 0.000 0.246 58 I C 2.183 178.268 176.117 -0.054 0.000 1.093 58 I CA 1.395 62.478 61.300 -0.361 0.000 1.355 58 I CB -0.376 37.263 38.000 -0.602 0.000 1.046 58 I HN 0.174 nan 8.210 nan 0.000 0.413 59 H N 0.294 119.316 119.070 -0.080 0.000 2.293 59 H HA -0.135 4.422 4.556 0.002 0.000 0.300 59 H C 2.248 177.510 175.328 -0.109 0.000 1.082 59 H CA 1.104 57.102 56.048 -0.084 0.000 1.308 59 H CB 0.071 29.718 29.762 -0.192 0.000 1.375 59 H HN 0.311 nan 8.280 nan 0.000 0.495 60 E N 0.541 120.719 120.200 -0.037 0.000 2.077 60 E HA -0.128 4.223 4.350 0.002 0.000 0.193 60 E C 2.259 178.898 176.600 0.066 0.000 0.989 60 E CA 1.296 57.688 56.400 -0.013 0.000 0.800 60 E CB -0.609 29.086 29.700 -0.008 0.000 0.746 60 E HN 0.458 nan 8.360 nan 0.000 0.452 61 T N 3.485 118.102 114.554 0.105 0.000 2.580 61 T HA -0.188 4.163 4.350 0.002 0.000 0.265 61 T C 2.169 176.959 174.700 0.150 0.000 1.063 61 T CA 1.916 64.110 62.100 0.156 0.000 1.170 61 T CB -0.595 68.443 68.868 0.284 0.000 0.863 61 T HN 0.418 nan 8.240 nan 0.000 0.418 62 I N 0.149 120.841 120.570 0.204 0.000 2.248 62 I HA -0.178 3.993 4.170 0.002 0.000 0.248 62 I C 2.222 178.394 176.117 0.092 0.000 1.107 62 I CA 1.850 63.250 61.300 0.167 0.000 1.373 62 I CB -0.715 37.415 38.000 0.218 0.000 1.055 62 I HN 0.227 nan 8.210 nan 0.000 0.418 63 I N 1.524 122.148 120.570 0.091 0.000 2.179 63 I HA -0.275 3.896 4.170 0.002 0.000 0.242 63 I C 2.824 178.921 176.117 -0.034 0.000 1.088 63 I CA 1.867 63.202 61.300 0.058 0.000 1.357 63 I CB -0.517 37.561 38.000 0.131 0.000 1.051 63 I HN 0.249 nan 8.210 nan 0.000 0.409 64 K N 1.267 121.670 120.400 0.004 0.000 2.097 64 K HA -0.168 4.153 4.320 0.002 0.000 0.206 64 K C 2.169 178.720 176.600 -0.081 0.000 1.049 64 K CA 1.379 57.645 56.287 -0.035 0.000 0.933 64 K CB -0.092 32.419 32.500 0.018 0.000 0.717 64 K HN 0.312 nan 8.250 nan 0.000 0.442 65 A N 1.001 123.792 122.820 -0.049 0.000 1.898 65 A HA -0.072 4.249 4.320 0.002 0.000 0.216 65 A C 2.331 179.834 177.584 -0.135 0.000 1.181 65 A CA 1.695 53.684 52.037 -0.080 0.000 0.620 65 A CB -0.823 18.151 19.000 -0.043 0.000 0.819 65 A HN 0.462 nan 8.150 nan 0.000 0.442 66 A N -0.058 122.705 122.820 -0.095 0.000 1.883 66 A HA 0.088 4.409 4.320 0.002 0.000 0.217 66 A C 2.497 179.956 177.584 -0.209 0.000 1.186 66 A CA 2.365 54.358 52.037 -0.075 0.000 0.624 66 A CB -1.003 17.989 19.000 -0.013 0.000 0.822 66 A HN 1.072 nan 8.150 nan 0.000 0.444 67 A N -0.357 122.276 122.820 -0.313 0.000 1.929 67 A HA -0.080 4.241 4.320 0.002 0.000 0.216 67 A C 1.673 179.090 177.584 -0.279 0.000 1.176 67 A CA 1.624 53.387 52.037 -0.457 0.000 0.628 67 A CB -0.526 17.973 19.000 -0.836 0.000 0.816 67 A HN 0.428 nan 8.150 nan 0.000 0.444 68 D N 0.242 120.506 120.400 -0.226 0.000 2.221 68 D HA -0.115 4.526 4.640 0.002 0.000 0.204 68 D C 1.408 177.555 176.300 -0.256 0.000 0.982 68 D CA 0.894 54.781 54.000 -0.188 0.000 0.857 68 D CB -0.291 40.421 40.800 -0.147 0.000 0.934 68 D HN 0.465 nan 8.370 nan 0.000 0.475 69 L N 0.435 121.404 121.223 -0.423 0.000 2.627 69 L HA 0.125 4.465 4.340 0.002 0.000 0.233 69 L C 0.621 177.235 176.870 -0.426 0.000 1.144 69 L CA -0.172 54.284 54.840 -0.639 0.000 0.892 69 L CB -0.069 41.123 42.059 -1.445 0.000 1.039 69 L HN -0.103 nan 8.230 nan 0.000 0.442 70 I N 0.566 121.016 120.570 -0.201 0.000 2.505 70 I HA 0.015 4.186 4.170 0.002 0.000 0.287 70 I C 0.698 176.782 176.117 -0.056 0.000 1.104 70 I CA 0.386 61.663 61.300 -0.038 0.000 1.387 70 I CB 0.429 38.403 38.000 -0.043 0.000 1.404 70 I HN 0.211 nan 8.210 nan 0.000 0.528 71 S N 6.571 122.257 115.700 -0.023 0.000 2.720 71 S HA 0.485 4.956 4.470 0.002 0.000 0.287 71 S C 0.735 175.262 174.600 -0.121 0.000 1.168 71 S CA -1.038 57.120 58.200 -0.070 0.000 0.832 71 S CB 1.760 64.924 63.200 -0.060 0.000 1.166 71 S HN 0.679 nan 8.310 nan 0.000 0.493 72 R N 0.416 120.776 120.500 -0.234 0.000 2.236 72 R HA 0.055 4.396 4.340 0.002 0.000 0.208 72 R C -0.013 176.110 176.300 -0.295 0.000 1.036 72 R CA 1.163 56.966 56.100 -0.494 0.000 1.001 72 R CB -0.810 28.841 30.300 -1.081 0.000 0.896 72 R HN 0.720 nan 8.270 nan 0.000 0.464 73 D N 1.470 121.795 120.400 -0.124 0.000 2.249 73 D HA 0.009 4.650 4.640 0.002 0.000 0.205 73 D C 0.491 176.805 176.300 0.022 0.000 0.962 73 D CA 1.073 55.058 54.000 -0.026 0.000 0.860 73 D CB 0.334 41.125 40.800 -0.015 0.000 0.955 73 D HN 0.363 nan 8.370 nan 0.000 0.505 74 A N 1.821 124.669 122.820 0.047 0.000 2.985 74 A HA 0.261 4.582 4.320 0.002 0.000 0.303 74 A C -1.510 176.148 177.584 0.124 0.000 1.048 74 A CA -0.841 51.276 52.037 0.133 0.000 1.016 74 A CB 0.506 19.709 19.000 0.337 0.000 1.118 74 A HN -0.076 nan 8.150 nan 0.000 0.529 75 P HA -0.159 nan 4.420 nan 0.000 0.219 75 P C 0.225 177.575 177.300 0.083 0.000 1.146 75 P CA 1.096 64.228 63.100 0.053 0.000 0.808 75 P CB 0.238 31.979 31.700 0.069 0.000 0.779 76 D N -1.288 119.151 120.400 0.065 0.000 2.378 76 D HA -0.124 4.517 4.640 0.002 0.000 0.222 76 D C 1.672 177.938 176.300 -0.057 0.000 0.980 76 D CA 0.666 54.695 54.000 0.048 0.000 0.907 76 D CB -0.818 39.958 40.800 -0.039 0.000 0.899 76 D HN 0.227 nan 8.370 nan 0.000 0.527 77 Y N 1.189 121.482 120.300 -0.011 0.000 2.256 77 Y HA -0.187 4.364 4.550 0.002 0.000 0.288 77 Y C 2.421 178.266 175.900 -0.091 0.000 1.155 77 Y CA 1.009 59.073 58.100 -0.059 0.000 1.203 77 Y CB -0.305 38.104 38.460 -0.085 0.000 0.980 77 Y HN 0.062 nan 8.280 nan 0.000 0.530 78 Q N -1.182 118.630 119.800 0.020 0.000 2.118 78 Q HA -0.283 4.058 4.340 0.002 0.000 0.211 78 Q C 1.778 177.670 176.000 -0.180 0.000 0.998 78 Q CA 2.334 58.060 55.803 -0.129 0.000 0.872 78 Q CB -0.414 28.123 28.738 -0.335 0.000 0.925 78 Q HN 0.588 nan 8.270 nan 0.000 0.414 79 Y N -0.598 119.724 120.300 0.036 0.000 2.269 79 Y HA -0.112 4.440 4.550 0.002 0.000 0.294 79 Y C 2.014 177.907 175.900 -0.012 0.000 1.120 79 Y CA 0.501 58.613 58.100 0.019 0.000 1.159 79 Y CB -0.346 38.099 38.460 -0.025 0.000 1.024 79 Y HN 0.094 nan 8.280 nan 0.000 0.532 80 L N 0.271 121.526 121.223 0.053 0.000 2.043 80 L HA -0.246 4.095 4.340 0.002 0.000 0.212 80 L C 2.340 179.231 176.870 0.034 0.000 1.075 80 L CA 2.142 56.970 54.840 -0.019 0.000 0.752 80 L CB -0.742 41.277 42.059 -0.067 0.000 0.891 80 L HN 0.174 nan 8.230 nan 0.000 0.432 81 A N -0.770 122.075 122.820 0.042 0.000 1.872 81 A HA -0.006 4.315 4.320 0.002 0.000 0.214 81 A C 2.469 180.188 177.584 0.225 0.000 1.187 81 A CA 1.497 53.542 52.037 0.012 0.000 0.614 81 A CB -1.198 17.614 19.000 -0.313 0.000 0.826 81 A HN 0.579 nan 8.150 nan 0.000 0.442 82 A N 0.567 123.576 122.820 0.316 0.000 1.894 82 A HA -0.329 3.992 4.320 0.002 0.000 0.220 82 A C 2.238 179.995 177.584 0.288 0.000 1.237 82 A CA 2.284 54.519 52.037 0.329 0.000 0.660 82 A CB -0.696 18.462 19.000 0.263 0.000 0.835 82 A HN 0.611 nan 8.150 nan 0.000 0.461 83 R N -0.725 119.905 120.500 0.217 0.000 2.092 83 R HA 0.025 4.366 4.340 0.002 0.000 0.231 83 R C 2.175 178.680 176.300 0.341 0.000 1.119 83 R CA 1.323 57.545 56.100 0.204 0.000 0.970 83 R CB -0.541 29.687 30.300 -0.121 0.000 0.864 83 R HN 0.550 nan 8.270 nan 0.000 0.440 84 L N 0.551 121.926 121.223 0.253 0.000 2.017 84 L HA -0.168 4.173 4.340 0.002 0.000 0.208 84 L C 2.770 179.849 176.870 0.349 0.000 1.073 84 L CA 1.412 56.429 54.840 0.295 0.000 0.745 84 L CB -0.689 41.477 42.059 0.178 0.000 0.894 84 L HN 0.234 nan 8.230 nan 0.000 0.432 85 A N 0.078 123.092 122.820 0.323 0.000 1.940 85 A HA -0.200 4.121 4.320 0.002 0.000 0.219 85 A C 2.206 179.971 177.584 0.301 0.000 1.176 85 A CA 1.528 53.759 52.037 0.322 0.000 0.631 85 A CB -0.556 18.634 19.000 0.316 0.000 0.814 85 A HN 0.283 nan 8.150 nan 0.000 0.446 86 I N -1.577 119.190 120.570 0.328 0.000 2.179 86 I HA -0.188 3.983 4.170 0.002 0.000 0.242 86 I C 2.286 178.613 176.117 0.350 0.000 1.088 86 I CA 1.139 62.627 61.300 0.314 0.000 1.357 86 I CB -1.451 36.794 38.000 0.409 0.000 1.051 86 I HN 0.461 nan 8.210 nan 0.000 0.409 87 F N 1.372 121.532 119.950 0.350 0.000 2.095 87 F HA -0.306 4.222 4.527 0.001 0.000 0.298 87 F C 2.866 178.739 175.800 0.122 0.000 1.104 87 F CA 2.222 60.399 58.000 0.296 0.000 1.232 87 F CB -0.532 38.603 39.000 0.226 0.000 0.987 87 F HN 0.194 nan 8.300 nan 0.000 0.475 88 H N 0.475 119.630 119.070 0.142 0.000 2.265 88 H HA -0.222 4.335 4.556 0.002 0.000 0.295 88 H C 2.138 177.426 175.328 -0.066 0.000 1.084 88 H CA 2.727 58.753 56.048 -0.037 0.000 1.261 88 H CB -0.791 29.006 29.762 0.058 0.000 1.360 88 H HN 0.357 nan 8.280 nan 0.000 0.487 89 L N -0.294 120.827 121.223 -0.170 0.000 2.043 89 L HA -0.220 4.121 4.340 0.002 0.000 0.212 89 L C 2.855 179.517 176.870 -0.345 0.000 1.075 89 L CA 1.338 56.007 54.840 -0.286 0.000 0.752 89 L CB -0.436 41.533 42.059 -0.150 0.000 0.891 89 L HN 0.248 nan 8.230 nan 0.000 0.432 90 R N 0.680 121.019 120.500 -0.270 0.000 2.103 90 R HA -0.156 4.185 4.340 0.002 0.000 0.242 90 R C 2.172 178.259 176.300 -0.356 0.000 1.142 90 R CA 1.430 57.333 56.100 -0.327 0.000 0.960 90 R CB -0.523 29.632 30.300 -0.241 0.000 0.858 90 R HN 0.488 nan 8.270 nan 0.000 0.439 91 K N 0.526 120.724 120.400 -0.338 0.000 2.116 91 K HA -0.035 4.286 4.320 0.002 0.000 0.203 91 K C 2.088 178.563 176.600 -0.209 0.000 1.052 91 K CA 0.745 56.885 56.287 -0.244 0.000 0.952 91 K CB -0.065 32.298 32.500 -0.228 0.000 0.729 91 K HN 0.126 nan 8.250 nan 0.000 0.446 92 K N 0.625 120.841 120.400 -0.306 0.000 2.211 92 K HA -0.116 4.205 4.320 0.002 0.000 0.204 92 K C 2.029 178.470 176.600 -0.264 0.000 1.047 92 K CA 1.268 57.386 56.287 -0.281 0.000 0.935 92 K CB -0.002 32.264 32.500 -0.390 0.000 0.728 92 K HN 0.142 nan 8.250 nan 0.000 0.452 93 A N -0.266 122.315 122.820 -0.397 0.000 1.924 93 A HA -0.010 4.311 4.320 0.002 0.000 0.211 93 A C 0.999 178.384 177.584 -0.332 0.000 1.198 93 A CA 0.710 52.446 52.037 -0.502 0.000 0.657 93 A CB -0.011 18.407 19.000 -0.970 0.000 0.852 93 A HN 0.238 nan 8.150 nan 0.000 0.454 94 Y N -1.017 119.251 120.300 -0.053 0.000 2.500 94 Y HA 0.412 4.963 4.550 0.002 0.000 0.246 94 Y C 1.698 177.569 175.900 -0.049 0.000 1.146 94 Y CA -0.690 57.386 58.100 -0.040 0.000 1.230 94 Y CB -0.277 38.137 38.460 -0.078 0.000 1.214 94 Y HN 0.385 nan 8.280 nan 0.000 0.526 95 G N 1.104 109.929 108.800 0.041 0.000 2.186 95 G HA2 -0.289 3.672 3.960 0.002 0.000 0.266 95 G HA3 -0.289 3.672 3.960 0.002 0.000 0.266 95 G C 0.185 175.091 174.900 0.010 0.000 0.982 95 G CA 1.065 46.176 45.100 0.017 0.000 0.670 95 G HN 0.536 nan 8.290 nan 0.000 0.533 96 Q N -3.380 116.424 119.800 0.006 0.000 2.841 96 Q HA 0.625 4.966 4.340 0.002 0.000 0.309 96 Q C 0.410 176.382 176.000 -0.047 0.000 0.868 96 Q CA -0.516 55.278 55.803 -0.015 0.000 0.760 96 Q CB 0.041 28.789 28.738 0.018 0.000 1.454 96 Q HN 0.547 nan 8.270 nan 0.000 0.449 97 F N 0.533 120.363 119.950 -0.201 0.000 2.387 97 F HA 0.295 4.823 4.527 0.001 0.000 0.294 97 F C 0.495 176.225 175.800 -0.117 0.000 1.093 97 F CA 0.475 58.329 58.000 -0.243 0.000 1.420 97 F CB 0.666 39.509 39.000 -0.262 0.000 1.086 97 F HN 0.471 nan 8.300 nan 0.000 0.531 98 E N 3.289 123.384 120.200 -0.175 0.000 2.180 98 E HA 0.166 4.517 4.350 0.002 0.000 0.283 98 E C -2.296 174.075 176.600 -0.382 0.000 1.061 98 E CA -2.077 54.147 56.400 -0.293 0.000 0.861 98 E CB 0.633 30.273 29.700 -0.101 0.000 1.056 98 E HN 0.082 nan 8.360 nan 0.000 0.407 99 P HA 0.033 nan 4.420 nan 0.000 0.267 99 P C -2.299 174.691 177.300 -0.517 0.000 1.200 99 P CA -0.825 61.708 63.100 -0.946 0.000 0.772 99 P CB -0.143 30.797 31.700 -1.266 0.000 0.855 100 P HA 0.052 nan 4.420 nan 0.000 0.271 100 P C -0.470 176.823 177.300 -0.012 0.000 1.233 100 P CA -0.152 62.850 63.100 -0.164 0.000 0.789 100 P CB 0.351 31.976 31.700 -0.126 0.000 0.951 101 A N 1.442 124.265 122.820 0.006 0.000 2.520 101 A HA -0.038 4.283 4.320 0.002 0.000 0.235 101 A C 1.481 179.065 177.584 0.001 0.000 1.065 101 A CA -0.284 51.783 52.037 0.050 0.000 0.764 101 A CB -0.612 18.410 19.000 0.038 0.000 1.002 101 A HN 0.659 nan 8.150 nan 0.000 0.502 102 L N 2.418 123.647 121.223 0.011 0.000 1.990 102 L HA -0.228 4.113 4.340 0.002 0.000 0.213 102 L C 2.112 178.854 176.870 -0.214 0.000 1.072 102 L CA 2.845 57.582 54.840 -0.171 0.000 0.755 102 L CB -1.057 40.997 42.059 -0.007 0.000 0.889 102 L HN 0.871 nan 8.230 nan 0.000 0.432 103 Y N 0.404 120.554 120.300 -0.251 0.000 2.165 103 Y HA -0.285 4.266 4.550 0.002 0.000 0.286 103 Y C 2.330 178.041 175.900 -0.314 0.000 1.155 103 Y CA 2.180 60.036 58.100 -0.407 0.000 1.164 103 Y CB -0.384 37.941 38.460 -0.226 0.000 0.978 103 Y HN 0.368 nan 8.280 nan 0.000 0.513 104 D N -1.237 119.079 120.400 -0.140 0.000 2.144 104 D HA -0.226 4.415 4.640 0.002 0.000 0.199 104 D C 1.947 178.101 176.300 -0.244 0.000 0.984 104 D CA 1.857 55.746 54.000 -0.185 0.000 0.834 104 D CB -0.565 40.197 40.800 -0.064 0.000 0.955 104 D HN 0.541 nan 8.370 nan 0.000 0.465 105 H N 0.846 119.718 119.070 -0.330 0.000 2.319 105 H HA -0.093 4.464 4.556 0.002 0.000 0.299 105 H C 1.942 177.067 175.328 -0.338 0.000 1.092 105 H CA 1.668 57.508 56.048 -0.346 0.000 1.302 105 H CB -0.217 29.178 29.762 -0.612 0.000 1.373 105 H HN -0.084 nan 8.280 nan 0.000 0.497 106 V N -0.383 119.249 119.914 -0.470 0.000 2.307 106 V HA -0.210 3.911 4.120 0.002 0.000 0.245 106 V C 2.696 178.513 176.094 -0.463 0.000 1.045 106 V CA 1.376 63.426 62.300 -0.417 0.000 1.024 106 V CB -0.755 30.758 31.823 -0.518 0.000 0.651 106 V HN 0.320 nan 8.190 nan 0.000 0.449 107 V N 0.172 119.731 119.914 -0.591 0.000 2.252 107 V HA -0.382 3.739 4.120 0.002 0.000 0.249 107 V C 2.499 178.376 176.094 -0.362 0.000 1.056 107 V CA 2.646 64.652 62.300 -0.491 0.000 1.022 107 V CB -0.733 30.761 31.823 -0.549 0.000 0.641 107 V HN 0.559 nan 8.190 nan 0.000 0.445 108 K N -0.884 119.298 120.400 -0.363 0.000 2.044 108 K HA -0.231 4.090 4.320 0.002 0.000 0.210 108 K C 2.232 178.587 176.600 -0.408 0.000 1.049 108 K CA 1.843 57.933 56.287 -0.328 0.000 0.927 108 K CB -0.163 32.163 32.500 -0.289 0.000 0.713 108 K HN 0.261 nan 8.250 nan 0.000 0.443 109 M N 0.471 119.723 119.600 -0.581 0.000 2.117 109 M HA -0.135 4.346 4.480 0.002 0.000 0.262 109 M C 2.264 178.289 176.300 -0.460 0.000 1.065 109 M CA 1.141 56.002 55.300 -0.731 0.000 1.114 109 M CB -0.743 30.991 32.600 -1.444 0.000 1.361 109 M HN 0.019 nan 8.290 nan 0.000 0.408 110 V N -0.044 119.687 119.914 -0.306 0.000 2.307 110 V HA -0.227 3.894 4.120 0.002 0.000 0.245 110 V C 2.153 178.145 176.094 -0.170 0.000 1.045 110 V CA 1.725 63.925 62.300 -0.167 0.000 1.024 110 V CB -0.824 30.924 31.823 -0.124 0.000 0.651 110 V HN 0.370 nan 8.190 nan 0.000 0.449 111 E N -0.528 119.552 120.200 -0.199 0.000 2.301 111 E HA -0.254 4.097 4.350 0.002 0.000 0.202 111 E C 1.928 178.423 176.600 -0.176 0.000 1.017 111 E CA 1.671 57.968 56.400 -0.172 0.000 0.831 111 E CB -0.171 29.419 29.700 -0.183 0.000 0.742 111 E HN 0.573 nan 8.360 nan 0.000 0.491 112 M N -2.591 116.873 119.600 -0.227 0.000 2.367 112 M HA 0.221 4.702 4.480 0.002 0.000 0.256 112 M C 0.934 177.119 176.300 -0.192 0.000 1.091 112 M CA 0.534 55.691 55.300 -0.239 0.000 1.049 112 M CB 1.389 33.766 32.600 -0.372 0.000 1.406 112 M HN 0.174 nan 8.290 nan 0.000 0.498 113 G N 1.206 109.911 108.800 -0.158 0.000 2.142 113 G HA2 -0.193 3.768 3.960 0.002 0.000 0.225 113 G HA3 -0.193 3.768 3.960 0.002 0.000 0.225 113 G C 0.636 175.489 174.900 -0.078 0.000 1.015 113 G CA 0.068 45.114 45.100 -0.091 0.000 0.716 113 G HN 0.291 nan 8.290 nan 0.000 0.508 114 K N -1.260 119.059 120.400 -0.134 0.000 2.399 114 K HA 0.262 4.583 4.320 0.002 0.000 0.196 114 K C 0.269 176.905 176.600 0.059 0.000 1.117 114 K CA 0.375 56.602 56.287 -0.101 0.000 0.965 114 K CB 0.584 32.919 32.500 -0.274 0.000 0.983 114 K HN 0.388 nan 8.250 nan 0.000 0.531 115 Y N 1.618 121.878 120.300 -0.065 0.000 2.457 115 Y HA 0.253 4.804 4.550 0.002 0.000 0.333 115 Y C 0.522 176.410 175.900 -0.019 0.000 1.119 115 Y CA -2.325 55.755 58.100 -0.033 0.000 1.143 115 Y CB 0.568 38.979 38.460 -0.081 0.000 1.230 115 Y HN -0.067 nan 8.280 nan 0.000 0.469 116 D N 1.988 122.508 120.400 0.201 0.000 2.424 116 D HA -0.087 4.554 4.640 0.002 0.000 0.244 116 D C 0.927 177.276 176.300 0.082 0.000 1.134 116 D CA 0.149 54.236 54.000 0.146 0.000 0.881 116 D CB 0.803 41.741 40.800 0.230 0.000 1.191 116 D HN 0.787 nan 8.370 nan 0.000 0.445 117 N N 3.339 122.091 118.700 0.086 0.000 2.494 117 N HA -0.229 4.512 4.740 0.002 0.000 0.182 117 N C 1.470 177.043 175.510 0.104 0.000 1.076 117 N CA 0.680 53.770 53.050 0.067 0.000 0.908 117 N CB -0.474 38.042 38.487 0.048 0.000 0.967 117 N HN 0.631 nan 8.380 nan 0.000 0.449 118 H N 0.452 119.601 119.070 0.131 0.000 2.460 118 H HA -0.010 4.547 4.556 0.002 0.000 0.297 118 H C 2.063 177.511 175.328 0.200 0.000 1.103 118 H CA 1.090 57.226 56.048 0.147 0.000 1.292 118 H CB -0.475 29.381 29.762 0.156 0.000 1.376 118 H HN 0.150 nan 8.280 nan 0.000 0.531 119 L N -0.208 120.867 121.223 -0.246 0.000 2.046 119 L HA -0.126 4.215 4.340 0.002 0.000 0.208 119 L C 2.357 179.432 176.870 0.342 0.000 1.077 119 L CA 1.242 56.051 54.840 -0.052 0.000 0.747 119 L CB -0.230 41.799 42.059 -0.050 0.000 0.896 119 L HN 0.350 nan 8.230 nan 0.000 0.432 120 L N -1.179 120.204 121.223 0.266 0.000 2.341 120 L HA -0.109 4.232 4.340 0.002 0.000 0.214 120 L C 2.253 179.292 176.870 0.283 0.000 1.115 120 L CA 0.541 55.588 54.840 0.345 0.000 0.820 120 L CB -0.201 41.937 42.059 0.132 0.000 0.944 120 L HN 0.220 nan 8.230 nan 0.000 0.452 121 E N 0.022 120.345 120.200 0.205 0.000 2.150 121 E HA -0.182 4.169 4.350 0.002 0.000 0.193 121 E C 1.103 177.783 176.600 0.132 0.000 0.985 121 E CA 1.065 57.561 56.400 0.161 0.000 0.814 121 E CB 0.217 30.006 29.700 0.150 0.000 0.752 121 E HN 0.427 nan 8.360 nan 0.000 0.466 122 D N -1.391 119.099 120.400 0.151 0.000 2.367 122 D HA 0.028 4.669 4.640 0.002 0.000 0.207 122 D C -0.454 175.643 176.300 -0.340 0.000 1.034 122 D CA 0.519 54.478 54.000 -0.069 0.000 0.861 122 D CB 0.412 41.174 40.800 -0.064 0.000 0.943 122 D HN 0.119 nan 8.370 nan 0.000 0.515 123 Y N -0.144 120.153 120.300 -0.006 0.000 2.545 123 Y HA 0.341 4.892 4.550 0.002 0.000 0.348 123 Y C 0.621 176.534 175.900 0.021 0.000 1.002 123 Y CA -1.319 56.676 58.100 -0.176 0.000 1.039 123 Y CB 1.604 39.628 38.460 -0.726 0.000 1.271 123 Y HN -0.333 nan 8.280 nan 0.000 0.467 124 T N -2.716 111.916 114.554 0.131 0.000 2.929 124 T HA 0.222 4.573 4.350 0.002 0.000 0.284 124 T C 0.974 175.782 174.700 0.181 0.000 1.014 124 T CA -0.622 61.571 62.100 0.154 0.000 1.051 124 T CB 1.698 70.593 68.868 0.046 0.000 1.028 124 T HN 0.894 nan 8.240 nan 0.000 0.485 125 E N 0.995 121.199 120.200 0.006 0.000 2.136 125 E HA -0.335 4.016 4.350 0.002 0.000 0.202 125 E C 1.479 177.996 176.600 -0.138 0.000 1.019 125 E CA 2.228 58.394 56.400 -0.390 0.000 0.819 125 E CB -0.144 29.045 29.700 -0.850 0.000 0.739 125 E HN 0.853 nan 8.360 nan 0.000 0.458 126 E N 0.482 120.629 120.200 -0.089 0.000 2.110 126 E HA -0.168 4.183 4.350 0.002 0.000 0.193 126 E C 2.011 178.584 176.600 -0.046 0.000 0.988 126 E CA 1.420 57.783 56.400 -0.061 0.000 0.804 126 E CB -0.068 29.605 29.700 -0.045 0.000 0.745 126 E HN 0.395 nan 8.360 nan 0.000 0.458 127 E N -0.337 119.845 120.200 -0.031 0.000 2.072 127 E HA -0.123 4.228 4.350 0.002 0.000 0.191 127 E C 1.661 178.160 176.600 -0.168 0.000 0.985 127 E CA 0.725 57.083 56.400 -0.070 0.000 0.801 127 E CB -0.120 29.578 29.700 -0.002 0.000 0.750 127 E HN 0.204 nan 8.360 nan 0.000 0.452 128 F N 1.498 121.424 119.950 -0.040 0.000 2.134 128 F HA -0.163 4.365 4.527 0.002 0.000 0.299 128 F C 2.291 178.012 175.800 -0.132 0.000 1.097 128 F CA 1.155 59.109 58.000 -0.076 0.000 1.264 128 F CB -0.202 38.851 39.000 0.088 0.000 1.001 128 F HN -0.137 nan 8.300 nan 0.000 0.479 129 K N -0.102 120.327 120.400 0.049 0.000 2.113 129 K HA -0.269 4.052 4.320 0.002 0.000 0.208 129 K C 2.141 178.660 176.600 -0.135 0.000 1.047 129 K CA 1.654 57.919 56.287 -0.036 0.000 0.928 129 K CB -0.312 32.157 32.500 -0.052 0.000 0.716 129 K HN 0.371 nan 8.250 nan 0.000 0.446 130 Q N 0.129 119.808 119.800 -0.201 0.000 2.079 130 Q HA -0.065 4.276 4.340 0.002 0.000 0.200 130 Q C 2.092 177.615 176.000 -0.795 0.000 0.974 130 Q CA 1.348 56.933 55.803 -0.364 0.000 0.840 130 Q CB 0.099 28.670 28.738 -0.279 0.000 0.898 130 Q HN 0.294 nan 8.270 nan 0.000 0.430 131 M N 0.110 119.298 119.600 -0.688 0.000 2.213 131 M HA -0.175 4.306 4.480 0.002 0.000 0.263 131 M C 1.408 177.392 176.300 -0.527 0.000 1.062 131 M CA 1.011 55.824 55.300 -0.811 0.000 1.105 131 M CB -0.153 32.194 32.600 -0.423 0.000 1.385 131 M HN 0.132 nan 8.290 nan 0.000 0.417 132 D N 0.066 120.303 120.400 -0.271 0.000 2.264 132 D HA -0.101 4.540 4.640 0.002 0.000 0.208 132 D C 1.888 178.098 176.300 -0.150 0.000 0.966 132 D CA 1.598 55.525 54.000 -0.123 0.000 0.864 132 D CB 0.059 40.854 40.800 -0.008 0.000 0.933 132 D HN 0.420 nan 8.370 nan 0.000 0.499 133 T N -2.366 112.042 114.554 -0.243 0.000 3.055 133 T HA -0.069 4.282 4.350 0.002 0.000 0.265 133 T C 1.736 176.463 174.700 0.045 0.000 1.111 133 T CA 0.263 62.306 62.100 -0.095 0.000 1.118 133 T CB -0.454 68.393 68.868 -0.036 0.000 0.909 133 T HN -0.065 nan 8.240 nan 0.000 0.501 134 F N 1.729 121.610 119.950 -0.116 0.000 2.259 134 F HA 0.414 4.942 4.527 0.002 0.000 0.298 134 F C 1.330 177.013 175.800 -0.195 0.000 1.088 134 F CA -1.600 56.311 58.000 -0.150 0.000 1.358 134 F CB -1.048 37.827 39.000 -0.207 0.000 1.040 134 F HN 0.183 nan 8.300 nan 0.000 0.505 135 I N 1.624 122.106 120.570 -0.147 0.000 2.710 135 I HA -0.059 4.112 4.170 0.002 0.000 0.286 135 I C -0.049 176.016 176.117 -0.085 0.000 1.181 135 I CA 0.475 61.634 61.300 -0.234 0.000 1.430 135 I CB 0.206 38.005 38.000 -0.335 0.000 1.367 135 I HN -0.063 nan 8.210 nan 0.000 0.577 136 D N 5.184 125.579 120.400 -0.009 0.000 2.440 136 D HA 0.172 4.813 4.640 0.002 0.000 0.252 136 D C 0.717 177.001 176.300 -0.026 0.000 1.180 136 D CA -0.376 53.625 54.000 0.003 0.000 0.894 136 D CB 0.591 41.429 40.800 0.064 0.000 1.111 136 D HN 0.390 nan 8.370 nan 0.000 0.544 137 H N 1.764 120.863 119.070 0.049 0.000 2.559 137 H HA -0.015 4.542 4.556 0.002 0.000 0.273 137 H C 0.392 175.772 175.328 0.087 0.000 1.000 137 H CA 0.563 56.618 56.048 0.012 0.000 1.195 137 H CB 0.599 30.296 29.762 -0.108 0.000 1.368 137 H HN 0.446 nan 8.280 nan 0.000 0.592 138 D N 0.203 120.723 120.400 0.200 0.000 2.323 138 D HA -0.025 4.616 4.640 0.002 0.000 0.209 138 D C 1.956 178.340 176.300 0.140 0.000 0.973 138 D CA 0.185 54.310 54.000 0.208 0.000 0.874 138 D CB 0.173 41.077 40.800 0.174 0.000 0.930 138 D HN 0.383 nan 8.370 nan 0.000 0.521 139 R N 0.589 121.137 120.500 0.080 0.000 2.237 139 R HA -0.061 4.280 4.340 0.002 0.000 0.219 139 R C 0.930 177.233 176.300 0.005 0.000 1.080 139 R CA 0.583 56.666 56.100 -0.027 0.000 0.995 139 R CB -0.073 30.142 30.300 -0.141 0.000 0.875 139 R HN 0.086 nan 8.270 nan 0.000 0.462 140 D N 0.867 121.400 120.400 0.222 0.000 2.265 140 D HA -0.137 4.504 4.640 0.002 0.000 0.208 140 D C 1.372 177.920 176.300 0.413 0.000 0.977 140 D CA 1.098 55.374 54.000 0.460 0.000 0.871 140 D CB 0.021 41.072 40.800 0.418 0.000 0.925 140 D HN 0.027 nan 8.370 nan 0.000 0.485 141 M N -0.288 119.465 119.600 0.255 0.000 2.630 141 M HA -0.020 4.461 4.480 0.002 0.000 0.254 141 M C 1.654 178.034 176.300 0.133 0.000 1.092 141 M CA 0.791 56.210 55.300 0.198 0.000 1.087 141 M CB -0.414 32.264 32.600 0.131 0.000 1.453 141 M HN 0.034 nan 8.290 nan 0.000 0.509 142 T N -3.389 111.199 114.554 0.057 0.000 3.060 142 T HA 0.199 4.550 4.350 0.002 0.000 0.249 142 T C 0.454 175.270 174.700 0.194 0.000 1.079 142 T CA -0.339 61.781 62.100 0.034 0.000 1.013 142 T CB -0.373 68.478 68.868 -0.028 0.000 0.975 142 T HN -0.008 nan 8.240 nan 0.000 0.518 143 F N 3.637 123.815 119.950 0.381 0.000 2.450 143 F HA 0.464 4.992 4.527 0.002 0.000 0.339 143 F C 1.339 177.280 175.800 0.234 0.000 1.146 143 F CA -0.766 57.412 58.000 0.296 0.000 1.267 143 F CB 0.625 39.743 39.000 0.197 0.000 1.178 143 F HN 0.158 nan 8.300 nan 0.000 0.585 144 S N 1.691 117.522 115.700 0.219 0.000 2.646 144 S HA 0.176 4.647 4.470 0.002 0.000 0.276 144 S C 0.725 175.315 174.600 -0.018 0.000 1.222 144 S CA -0.658 57.419 58.200 -0.205 0.000 1.014 144 S CB 0.585 63.586 63.200 -0.332 0.000 0.991 144 S HN 0.657 nan 8.310 nan 0.000 0.533 145 Y N 2.088 122.289 120.300 -0.165 0.000 2.193 145 Y HA -0.150 4.401 4.550 0.001 0.000 0.285 145 Y C 2.388 178.256 175.900 -0.054 0.000 1.166 145 Y CA 2.119 60.181 58.100 -0.064 0.000 1.181 145 Y CB -0.953 37.472 38.460 -0.059 0.000 0.976 145 Y HN 0.843 nan 8.280 nan 0.000 0.520 146 A N -0.136 122.605 122.820 -0.132 0.000 2.067 146 A HA 0.117 4.438 4.320 0.002 0.000 0.217 146 A C 2.379 179.837 177.584 -0.210 0.000 1.156 146 A CA 1.114 53.025 52.037 -0.210 0.000 0.683 146 A CB -1.212 17.745 19.000 -0.072 0.000 0.808 146 A HN 0.562 nan 8.150 nan 0.000 0.455 147 A N -0.244 122.486 122.820 -0.151 0.000 1.877 147 A HA -0.034 4.287 4.320 0.002 0.000 0.216 147 A C 2.188 179.597 177.584 -0.292 0.000 1.186 147 A CA 1.828 53.769 52.037 -0.161 0.000 0.620 147 A CB -0.930 18.090 19.000 0.034 0.000 0.822 147 A HN 0.357 nan 8.150 nan 0.000 0.443 148 V N 0.390 120.139 119.914 -0.275 0.000 2.295 148 V HA -0.242 3.879 4.120 0.002 0.000 0.246 148 V C 2.502 178.407 176.094 -0.315 0.000 1.049 148 V CA 2.216 64.329 62.300 -0.311 0.000 1.024 148 V CB -0.625 31.093 31.823 -0.176 0.000 0.648 148 V HN 0.392 nan 8.190 nan 0.000 0.447 149 K N -0.165 119.998 120.400 -0.396 0.000 2.152 149 K HA -0.143 4.178 4.320 0.002 0.000 0.206 149 K C 2.149 178.625 176.600 -0.206 0.000 1.048 149 K CA 1.151 57.253 56.287 -0.307 0.000 0.933 149 K CB -0.515 31.768 32.500 -0.361 0.000 0.721 149 K HN 0.436 nan 8.250 nan 0.000 0.447 150 Q N 0.374 120.037 119.800 -0.229 0.000 2.049 150 Q HA 0.035 4.376 4.340 0.002 0.000 0.198 150 Q C 2.369 178.238 176.000 -0.218 0.000 0.971 150 Q CA 0.839 56.531 55.803 -0.186 0.000 0.833 150 Q CB -0.317 28.294 28.738 -0.210 0.000 0.896 150 Q HN 0.294 nan 8.270 nan 0.000 0.434 151 L N 0.853 121.854 121.223 -0.370 0.000 2.021 151 L HA -0.238 4.103 4.340 0.002 0.000 0.215 151 L C 2.481 179.283 176.870 -0.115 0.000 1.074 151 L CA 1.707 56.347 54.840 -0.333 0.000 0.760 151 L CB -0.377 41.416 42.059 -0.443 0.000 0.889 151 L HN 0.338 nan 8.230 nan 0.000 0.433 152 E N -0.429 119.694 120.200 -0.129 0.000 2.299 152 E HA -0.100 4.251 4.350 0.002 0.000 0.193 152 E C 2.042 178.621 176.600 -0.035 0.000 0.998 152 E CA 0.772 57.125 56.400 -0.079 0.000 0.851 152 E CB 0.135 29.781 29.700 -0.090 0.000 0.795 152 E HN 0.458 nan 8.360 nan 0.000 0.492 153 G N 1.393 110.179 108.800 -0.024 0.000 2.492 153 G HA2 -0.165 3.796 3.960 0.002 0.000 0.214 153 G HA3 -0.165 3.796 3.960 0.002 0.000 0.214 153 G C 1.408 176.336 174.900 0.047 0.000 1.147 153 G CA 0.737 45.840 45.100 0.005 0.000 0.809 153 G HN 0.295 nan 8.290 nan 0.000 0.533 154 K N -2.304 118.160 120.400 0.106 0.000 2.585 154 K HA 0.378 4.699 4.320 0.002 0.000 0.210 154 K C 0.567 177.294 176.600 0.212 0.000 1.294 154 K CA -0.306 56.070 56.287 0.149 0.000 1.025 154 K CB 0.166 32.756 32.500 0.150 0.000 1.076 154 K HN 0.177 nan 8.250 nan 0.000 0.613 155 Y N 1.473 121.770 120.300 -0.006 0.000 2.697 155 Y HA 0.372 4.923 4.550 0.001 0.000 0.268 155 Y C 0.673 176.585 175.900 0.020 0.000 1.092 155 Y CA -0.355 57.750 58.100 0.008 0.000 1.304 155 Y CB 0.524 38.966 38.460 -0.030 0.000 1.446 155 Y HN -0.162 nan 8.280 nan 0.000 0.491 156 L N 1.251 122.572 121.223 0.162 0.000 2.485 156 L HA 0.081 4.421 4.340 0.002 0.000 0.275 156 L C -0.153 176.783 176.870 0.110 0.000 1.207 156 L CA -0.308 54.597 54.840 0.109 0.000 0.855 156 L CB 0.322 42.398 42.059 0.029 0.000 1.114 156 L HN -0.183 nan 8.230 nan 0.000 0.485 157 V N 3.517 123.535 119.914 0.174 0.000 2.572 157 V HA 0.149 4.270 4.120 0.002 0.000 0.291 157 V C 0.152 176.333 176.094 0.144 0.000 1.039 157 V CA 0.061 62.483 62.300 0.202 0.000 1.055 157 V CB 0.987 32.995 31.823 0.308 0.000 0.969 157 V HN 0.936 nan 8.190 nan 0.000 0.482 158 Q N 3.408 123.272 119.800 0.106 0.000 2.578 158 Q HA 0.392 4.733 4.340 0.002 0.000 0.284 158 Q C -0.931 175.053 176.000 -0.027 0.000 0.960 158 Q CA -0.972 54.737 55.803 -0.156 0.000 0.809 158 Q CB 1.125 29.756 28.738 -0.178 0.000 1.462 158 Q HN 0.458 nan 8.270 nan 0.000 0.392 159 N N 0.869 119.454 118.700 -0.191 0.000 2.431 159 N HA 0.072 4.813 4.740 0.002 0.000 0.265 159 N C 0.188 175.685 175.510 -0.022 0.000 1.184 159 N CA 0.105 53.169 53.050 0.024 0.000 0.943 159 N CB 1.048 39.548 38.487 0.021 0.000 1.080 159 N HN 0.753 nan 8.380 nan 0.000 0.477 160 R N 2.880 123.390 120.500 0.017 0.000 2.193 160 R HA 0.033 4.374 4.340 0.002 0.000 0.213 160 R C 1.240 177.542 176.300 0.004 0.000 1.055 160 R CA 0.681 56.784 56.100 0.005 0.000 0.995 160 R CB 0.192 30.500 30.300 0.015 0.000 0.893 160 R HN 0.435 nan 8.270 nan 0.000 0.459 161 V N -0.281 119.640 119.914 0.011 0.000 2.251 161 V HA -0.218 3.903 4.120 0.002 0.000 0.233 161 V C 2.367 178.462 176.094 0.001 0.000 1.041 161 V CA 2.254 64.560 62.300 0.009 0.000 1.000 161 V CB -0.827 31.006 31.823 0.016 0.000 0.643 161 V HN 0.587 nan 8.190 nan 0.000 0.460 162 T N -2.002 112.554 114.554 0.002 0.000 2.867 162 T HA 0.144 4.495 4.350 0.002 0.000 0.268 162 T C 1.563 176.249 174.700 -0.023 0.000 1.057 162 T CA 1.930 64.027 62.100 -0.004 0.000 1.136 162 T CB 0.265 69.137 68.868 0.007 0.000 0.874 162 T HN 1.257 nan 8.240 nan 0.000 0.466 163 G N 0.927 109.697 108.800 -0.051 0.000 2.278 163 G HA2 -0.204 3.757 3.960 0.002 0.000 0.210 163 G HA3 -0.204 3.757 3.960 0.002 0.000 0.210 163 G C -0.136 174.674 174.900 -0.150 0.000 1.000 163 G CA -0.093 44.963 45.100 -0.074 0.000 0.635 163 G HN 0.672 nan 8.290 nan 0.000 0.495 164 E N 0.288 120.375 120.200 -0.188 0.000 3.056 164 E HA 0.131 4.482 4.350 0.002 0.000 0.264 164 E C -0.238 175.981 176.600 -0.636 0.000 0.899 164 E CA 0.593 56.782 56.400 -0.352 0.000 0.966 164 E CB 0.596 30.105 29.700 -0.317 0.000 0.913 164 E HN 0.381 nan 8.360 nan 0.000 0.522 165 I N 3.681 123.935 120.570 -0.526 0.000 2.339 165 I HA 0.042 4.213 4.170 0.002 0.000 0.290 165 I C -0.095 175.771 176.117 -0.419 0.000 0.994 165 I CA -0.177 60.843 61.300 -0.468 0.000 1.191 165 I CB 0.726 38.560 38.000 -0.277 0.000 1.343 165 I HN 0.495 nan 8.210 nan 0.000 0.458 166 Y N 4.043 124.316 120.300 -0.046 0.000 2.510 166 Y HA 0.191 4.742 4.550 0.002 0.000 0.273 166 Y C 1.001 176.967 175.900 0.109 0.000 1.119 166 Y CA -0.194 57.898 58.100 -0.014 0.000 1.286 166 Y CB -0.020 38.416 38.460 -0.040 0.000 1.061 166 Y HN 0.522 nan 8.280 nan 0.000 0.542 167 E N 0.026 120.368 120.200 0.236 0.000 2.433 167 E HA 0.563 4.914 4.350 0.002 0.000 0.273 167 E C -0.934 175.740 176.600 0.123 0.000 0.950 167 E CA -0.741 55.875 56.400 0.361 0.000 0.796 167 E CB 2.228 32.260 29.700 0.554 0.000 1.330 167 E HN -0.010 nan 8.360 nan 0.000 0.455 168 S N 0.201 116.009 115.700 0.179 0.000 2.766 168 S HA 0.657 5.128 4.470 0.002 0.000 0.307 168 S C 1.031 175.662 174.600 0.052 0.000 1.121 168 S CA -0.210 58.009 58.200 0.032 0.000 0.980 168 S CB 1.212 64.404 63.200 -0.014 0.000 1.159 168 S HN 0.757 nan 8.310 nan 0.000 0.546 169 A N 0.314 123.130 122.820 -0.007 0.000 1.933 169 A HA -0.073 4.248 4.320 0.002 0.000 0.218 169 A C 2.134 179.719 177.584 0.002 0.000 1.175 169 A CA 1.247 53.239 52.037 -0.074 0.000 0.628 169 A CB -0.935 18.023 19.000 -0.069 0.000 0.814 169 A HN 0.709 nan 8.150 nan 0.000 0.444 170 Q N -1.112 118.763 119.800 0.125 0.000 2.230 170 Q HA -0.057 4.284 4.340 0.002 0.000 0.202 170 Q C 1.672 177.861 176.000 0.315 0.000 0.963 170 Q CA 0.915 56.872 55.803 0.256 0.000 0.866 170 Q CB -0.494 28.276 28.738 0.053 0.000 0.931 170 Q HN 0.707 nan 8.270 nan 0.000 0.452 171 F N 0.533 120.599 119.950 0.195 0.000 2.163 171 F HA -0.063 4.465 4.527 0.002 0.000 0.297 171 F C 2.248 178.151 175.800 0.171 0.000 1.094 171 F CA 0.018 58.113 58.000 0.157 0.000 1.290 171 F CB -1.240 37.811 39.000 0.084 0.000 1.017 171 F HN 0.051 nan 8.300 nan 0.000 0.483 172 L N -1.062 120.345 121.223 0.306 0.000 2.051 172 L HA -0.321 4.020 4.340 0.002 0.000 0.214 172 L C 2.359 179.376 176.870 0.245 0.000 1.076 172 L CA 1.810 56.757 54.840 0.179 0.000 0.758 172 L CB -0.498 41.569 42.059 0.012 0.000 0.890 172 L HN 0.047 nan 8.230 nan 0.000 0.433 173 Y N -1.080 119.423 120.300 0.340 0.000 2.206 173 Y HA -0.140 4.411 4.550 0.002 0.000 0.292 173 Y C 2.240 178.437 175.900 0.495 0.000 1.123 173 Y CA 1.102 59.425 58.100 0.372 0.000 1.142 173 Y CB -0.512 38.134 38.460 0.309 0.000 1.006 173 Y HN 0.168 nan 8.280 nan 0.000 0.518 174 I N -0.322 120.640 120.570 0.653 0.000 2.315 174 I HA -0.240 3.931 4.170 0.002 0.000 0.248 174 I C 1.910 178.167 176.117 0.233 0.000 1.117 174 I CA 1.419 62.926 61.300 0.344 0.000 1.404 174 I CB -0.358 37.648 38.000 0.010 0.000 1.071 174 I HN 0.114 nan 8.210 nan 0.000 0.419 175 L N -1.230 120.117 121.223 0.205 0.000 2.156 175 L HA -0.128 4.213 4.340 0.002 0.000 0.208 175 L C 2.454 179.366 176.870 0.070 0.000 1.095 175 L CA 0.489 55.364 54.840 0.059 0.000 0.770 175 L CB -0.578 41.430 42.059 -0.084 0.000 0.914 175 L HN 0.071 nan 8.230 nan 0.000 0.439 176 V N 0.339 120.360 119.914 0.178 0.000 2.255 176 V HA -0.347 3.774 4.120 0.002 0.000 0.247 176 V C 2.809 178.974 176.094 0.119 0.000 1.051 176 V CA 1.965 64.363 62.300 0.162 0.000 1.018 176 V CB -0.973 31.031 31.823 0.302 0.000 0.641 176 V HN 0.494 nan 8.190 nan 0.000 0.445 177 A N 0.181 123.176 122.820 0.292 0.000 1.859 177 A HA -0.274 4.047 4.320 0.002 0.000 0.218 177 A C 2.488 180.170 177.584 0.163 0.000 1.209 177 A CA 2.951 55.155 52.037 0.278 0.000 0.639 177 A CB -1.263 18.030 19.000 0.489 0.000 0.835 177 A HN 0.674 nan 8.150 nan 0.000 0.450 178 A N -1.153 121.716 122.820 0.082 0.000 1.915 178 A HA -0.294 4.027 4.320 0.002 0.000 0.220 178 A C 2.384 180.030 177.584 0.104 0.000 1.198 178 A CA 2.188 54.200 52.037 -0.042 0.000 0.647 178 A CB -1.491 17.316 19.000 -0.321 0.000 0.825 178 A HN 0.686 nan 8.150 nan 0.000 0.456 179 C N -1.052 118.257 119.300 0.015 0.000 2.462 179 C HA 0.010 4.471 4.460 0.002 0.000 0.278 179 C C 2.637 177.471 174.990 -0.260 0.000 1.253 179 C CA 0.922 59.925 59.018 -0.025 0.000 1.713 179 C CB -1.502 26.160 27.740 -0.131 0.000 2.049 179 C HN 0.637 nan 8.230 nan 0.000 0.477 180 L N -0.621 120.359 121.223 -0.405 0.000 2.131 180 L HA -0.127 4.214 4.340 0.002 0.000 0.210 180 L C 1.592 178.015 176.870 -0.745 0.000 1.092 180 L CA 1.650 56.076 54.840 -0.691 0.000 0.759 180 L CB -0.505 41.020 42.059 -0.889 0.000 0.903 180 L HN 0.325 nan 8.230 nan 0.000 0.435 181 F N -1.035 118.751 119.950 -0.273 0.000 2.641 181 F HA 0.049 4.577 4.527 0.002 0.000 0.302 181 F C 2.327 178.139 175.800 0.020 0.000 1.098 181 F CA 0.172 58.017 58.000 -0.258 0.000 1.318 181 F CB -0.170 38.582 39.000 -0.413 0.000 1.035 181 F HN 0.028 nan 8.300 nan 0.000 0.551 182 S N -0.457 115.343 115.700 0.167 0.000 2.442 182 S HA -0.208 4.263 4.470 0.002 0.000 0.236 182 S C 1.266 175.897 174.600 0.052 0.000 1.007 182 S CA 1.328 59.616 58.200 0.147 0.000 0.965 182 S CB -0.703 62.630 63.200 0.222 0.000 0.773 182 S HN 0.541 nan 8.310 nan 0.000 0.504 183 N N -0.225 118.535 118.700 0.100 0.000 2.383 183 N HA 0.167 4.908 4.740 0.002 0.000 0.192 183 N C -0.864 174.704 175.510 0.097 0.000 1.141 183 N CA -0.191 52.896 53.050 0.061 0.000 0.851 183 N CB 0.043 38.539 38.487 0.015 0.000 0.976 183 N HN 0.337 nan 8.380 nan 0.000 0.465 184 Y N 2.170 122.471 120.300 0.001 0.000 2.346 184 Y HA 0.134 4.685 4.550 0.002 0.000 0.330 184 Y C -1.697 174.214 175.900 0.019 0.000 1.178 184 Y CA -2.514 55.607 58.100 0.036 0.000 1.331 184 Y CB 0.261 38.797 38.460 0.126 0.000 1.253 184 Y HN 0.058 nan 8.280 nan 0.000 0.529 185 P HA -0.049 nan 4.420 nan 0.000 0.261 185 P C 0.303 177.652 177.300 0.083 0.000 1.173 185 P CA 0.272 63.384 63.100 0.020 0.000 0.760 185 P CB 0.640 32.333 31.700 -0.012 0.000 0.783 186 R N 2.235 122.760 120.500 0.042 0.000 2.200 186 R HA -0.172 4.169 4.340 0.002 0.000 0.234 186 R C 2.049 178.387 176.300 0.064 0.000 1.127 186 R CA 1.370 57.498 56.100 0.048 0.000 0.989 186 R CB -0.020 30.289 30.300 0.014 0.000 0.869 186 R HN 0.533 nan 8.270 nan 0.000 0.459 187 E N -0.706 119.529 120.200 0.058 0.000 2.077 187 E HA -0.180 4.171 4.350 0.002 0.000 0.193 187 E C 1.712 178.354 176.600 0.071 0.000 0.989 187 E CA 2.089 58.520 56.400 0.051 0.000 0.800 187 E CB -0.550 29.170 29.700 0.033 0.000 0.746 187 E HN 0.504 nan 8.360 nan 0.000 0.452 188 T N -1.830 112.810 114.554 0.143 0.000 3.034 188 T HA 0.154 4.505 4.350 0.002 0.000 0.248 188 T C 1.896 176.740 174.700 0.241 0.000 1.040 188 T CA 0.316 62.525 62.100 0.181 0.000 1.107 188 T CB 0.117 69.189 68.868 0.339 0.000 0.932 188 T HN 0.045 nan 8.240 nan 0.000 0.474 189 R N 1.417 122.113 120.500 0.327 0.000 2.271 189 R HA -0.196 4.145 4.340 0.002 0.000 0.235 189 R C 2.096 178.498 176.300 0.171 0.000 1.112 189 R CA 2.323 58.599 56.100 0.292 0.000 0.886 189 R CB -1.290 29.154 30.300 0.240 0.000 0.934 189 R HN 0.454 nan 8.270 nan 0.000 0.420 190 L N 0.115 121.434 121.223 0.160 0.000 2.362 190 L HA -0.142 4.199 4.340 0.002 0.000 0.219 190 L C 2.747 179.644 176.870 0.046 0.000 1.134 190 L CA 1.036 55.985 54.840 0.181 0.000 0.807 190 L CB -0.321 41.882 42.059 0.239 0.000 0.927 190 L HN 0.502 nan 8.230 nan 0.000 0.447 191 Q N -0.966 118.785 119.800 -0.082 0.000 2.033 191 Q HA -0.186 4.155 4.340 0.002 0.000 0.196 191 Q C 2.205 177.990 176.000 -0.359 0.000 0.970 191 Q CA 1.507 57.152 55.803 -0.263 0.000 0.828 191 Q CB -0.060 28.499 28.738 -0.299 0.000 0.895 191 Q HN 0.395 nan 8.270 nan 0.000 0.440 192 Y N 0.138 120.219 120.300 -0.365 0.000 2.081 192 Y HA -0.291 4.260 4.550 0.002 0.000 0.280 192 Y C 2.431 177.913 175.900 -0.696 0.000 1.163 192 Y CA 1.335 59.015 58.100 -0.699 0.000 1.135 192 Y CB -0.766 36.972 38.460 -1.202 0.000 0.970 192 Y HN -0.065 nan 8.280 nan 0.000 0.498 193 V N 0.281 120.008 119.914 -0.312 0.000 2.287 193 V HA -0.350 3.771 4.120 0.002 0.000 0.248 193 V C 2.435 178.563 176.094 0.057 0.000 1.053 193 V CA 2.294 64.556 62.300 -0.063 0.000 1.027 193 V CB -0.634 31.250 31.823 0.103 0.000 0.646 193 V HN 0.376 nan 8.190 nan 0.000 0.447 194 K N -0.156 120.178 120.400 -0.111 0.000 2.044 194 K HA -0.233 4.088 4.320 0.002 0.000 0.210 194 K C 2.382 178.897 176.600 -0.141 0.000 1.049 194 K CA 1.771 57.831 56.287 -0.379 0.000 0.927 194 K CB -0.174 31.582 32.500 -1.241 0.000 0.713 194 K HN 0.338 nan 8.250 nan 0.000 0.443 195 R N -0.700 119.691 120.500 -0.180 0.000 2.092 195 R HA -0.109 4.232 4.340 0.002 0.000 0.231 195 R C 2.340 178.620 176.300 -0.032 0.000 1.119 195 R CA 1.470 57.487 56.100 -0.139 0.000 0.970 195 R CB -0.328 29.861 30.300 -0.185 0.000 0.864 195 R HN 0.278 nan 8.270 nan 0.000 0.440 196 F N 0.390 120.273 119.950 -0.112 0.000 2.128 196 F HA -0.210 4.318 4.527 0.002 0.000 0.295 196 F C 2.276 178.068 175.800 -0.014 0.000 1.100 196 F CA 1.107 59.092 58.000 -0.024 0.000 1.260 196 F CB -0.462 38.580 39.000 0.069 0.000 1.009 196 F HN -0.038 nan 8.300 nan 0.000 0.476 197 Y N 1.482 121.870 120.300 0.148 0.000 2.114 197 Y HA -0.314 4.237 4.550 0.002 0.000 0.282 197 Y C 2.200 177.997 175.900 -0.171 0.000 1.165 197 Y CA 2.257 60.380 58.100 0.039 0.000 1.148 197 Y CB -0.916 37.621 38.460 0.128 0.000 0.972 197 Y HN 0.092 nan 8.280 nan 0.000 0.504 198 D N 0.364 120.612 120.400 -0.253 0.000 2.104 198 D HA -0.227 4.414 4.640 0.002 0.000 0.194 198 D C 2.342 178.359 176.300 -0.472 0.000 0.994 198 D CA 1.655 55.426 54.000 -0.381 0.000 0.830 198 D CB -0.675 40.021 40.800 -0.172 0.000 0.959 198 D HN 0.528 nan 8.370 nan 0.000 0.452 199 A N 0.862 123.439 122.820 -0.404 0.000 1.865 199 A HA -0.181 4.140 4.320 0.002 0.000 0.217 199 A C 2.551 179.830 177.584 -0.509 0.000 1.191 199 A CA 2.669 54.471 52.037 -0.391 0.000 0.623 199 A CB -0.936 17.859 19.000 -0.342 0.000 0.826 199 A HN 0.240 nan 8.150 nan 0.000 0.444 200 V N -1.358 118.126 119.914 -0.716 0.000 2.379 200 V HA -0.144 3.977 4.120 0.002 0.000 0.245 200 V C 2.405 177.884 176.094 -1.025 0.000 1.044 200 V CA 2.305 64.166 62.300 -0.732 0.000 1.036 200 V CB -1.404 29.992 31.823 -0.710 0.000 0.664 200 V HN 0.647 nan 8.190 nan 0.000 0.453 201 S N 1.867 116.803 115.700 -1.273 0.000 2.423 201 S HA -0.144 4.327 4.470 0.002 0.000 0.231 201 S C 1.795 175.697 174.600 -1.164 0.000 1.014 201 S CA 1.440 58.838 58.200 -1.336 0.000 0.965 201 S CB -1.084 61.406 63.200 -1.183 0.000 0.785 201 S HN 0.911 nan 8.310 nan 0.000 0.495 202 T N -2.195 111.817 114.554 -0.903 0.000 3.186 202 T HA 0.365 4.716 4.350 0.002 0.000 0.257 202 T C 0.230 174.610 174.700 -0.534 0.000 1.029 202 T CA -0.550 61.094 62.100 -0.760 0.000 0.916 202 T CB -1.039 67.579 68.868 -0.417 0.000 1.041 202 T HN 0.246 nan 8.240 nan 0.000 0.562 203 F N -0.688 119.116 119.950 -0.244 0.000 2.914 203 F HA -0.216 4.312 4.527 0.002 0.000 0.304 203 F C 1.285 177.033 175.800 -0.086 0.000 0.712 203 F CA 0.324 58.243 58.000 -0.134 0.000 1.211 203 F CB -2.314 36.644 39.000 -0.070 0.000 1.515 203 F HN 0.267 nan 8.300 nan 0.000 0.350 204 K N 0.340 120.733 120.400 -0.011 0.000 2.103 204 K HA 0.143 4.464 4.320 0.002 0.000 0.207 204 K C 0.731 177.380 176.600 0.081 0.000 1.048 204 K CA 1.497 57.797 56.287 0.022 0.000 0.930 204 K CB 0.150 32.620 32.500 -0.049 0.000 0.716 204 K HN 0.467 nan 8.250 nan 0.000 0.444 205 I N -0.586 119.985 120.570 0.001 0.000 2.582 205 I HA 0.159 4.330 4.170 0.002 0.000 0.292 205 I C -0.845 175.252 176.117 -0.034 0.000 1.066 205 I CA -0.624 60.664 61.300 -0.021 0.000 1.053 205 I CB 2.405 40.328 38.000 -0.127 0.000 1.241 205 I HN -0.198 nan 8.210 nan 0.000 0.421 206 S N 5.871 121.564 115.700 -0.011 0.000 2.503 206 S HA 0.747 5.218 4.470 0.002 0.000 0.301 206 S C -0.740 173.900 174.600 0.066 0.000 1.087 206 S CA -0.523 57.715 58.200 0.064 0.000 1.042 206 S CB 1.359 64.615 63.200 0.094 0.000 1.043 206 S HN 0.327 nan 8.310 nan 0.000 0.489 207 L N 3.918 125.229 121.223 0.147 0.000 2.362 207 L HA 0.521 4.862 4.340 0.002 0.000 0.271 207 L C -2.355 174.599 176.870 0.139 0.000 1.002 207 L CA -2.417 52.506 54.840 0.138 0.000 0.818 207 L CB 1.999 44.167 42.059 0.181 0.000 1.298 207 L HN 0.419 nan 8.230 nan 0.000 0.420 208 P HA 0.065 nan 4.420 nan 0.000 0.269 208 P C 0.665 177.971 177.300 0.009 0.000 1.209 208 P CA -0.132 63.009 63.100 0.069 0.000 0.776 208 P CB 0.576 32.309 31.700 0.056 0.000 0.876 209 T N 3.443 117.990 114.554 -0.013 0.000 2.653 209 T HA -0.166 4.185 4.350 0.002 0.000 0.267 209 T C -0.869 173.755 174.700 -0.127 0.000 1.037 209 T CA 2.440 64.443 62.100 -0.161 0.000 1.159 209 T CB -1.810 67.039 68.868 -0.032 0.000 0.859 209 T HN 0.553 nan 8.240 nan 0.000 0.449 210 P HA 0.058 nan 4.420 nan 0.000 0.217 210 P C 1.529 178.970 177.300 0.234 0.000 1.150 210 P CA 0.858 64.031 63.100 0.123 0.000 0.832 210 P CB -0.159 31.651 31.700 0.183 0.000 0.787 211 I N -1.628 119.012 120.570 0.117 0.000 2.202 211 I HA -0.192 3.979 4.170 0.002 0.000 0.242 211 I C 2.262 178.380 176.117 0.001 0.000 1.091 211 I CA 1.300 62.605 61.300 0.008 0.000 1.368 211 I CB -0.537 37.440 38.000 -0.039 0.000 1.058 211 I HN -0.078 nan 8.210 nan 0.000 0.410 212 M N 0.406 119.950 119.600 -0.092 0.000 2.267 212 M HA -0.159 4.322 4.480 0.002 0.000 0.263 212 M C 2.243 178.449 176.300 -0.156 0.000 1.063 212 M CA 1.855 57.040 55.300 -0.190 0.000 1.090 212 M CB -0.984 31.120 32.600 -0.825 0.000 1.392 212 M HN 0.374 nan 8.290 nan 0.000 0.422 213 S N -2.540 113.090 115.700 -0.115 0.000 2.549 213 S HA 0.235 4.706 4.470 0.002 0.000 0.225 213 S C 1.735 176.415 174.600 0.134 0.000 1.039 213 S CA 0.236 58.432 58.200 -0.006 0.000 0.942 213 S CB 0.026 63.186 63.200 -0.067 0.000 0.881 213 S HN 0.408 nan 8.310 nan 0.000 0.503 214 G N 1.363 110.318 108.800 0.258 0.000 2.576 214 G HA2 0.268 4.229 3.960 0.002 0.000 0.210 214 G HA3 0.268 4.229 3.960 0.002 0.000 0.210 214 G C 0.237 175.466 174.900 0.550 0.000 1.143 214 G CA 0.090 45.451 45.100 0.435 0.000 0.819 214 G HN 0.366 nan 8.290 nan 0.000 0.534 215 V N 2.742 122.888 119.914 0.385 0.000 2.390 215 V HA 0.333 4.454 4.120 0.002 0.000 0.260 215 V C 1.078 177.263 176.094 0.151 0.000 1.043 215 V CA 1.059 63.468 62.300 0.181 0.000 1.047 215 V CB -0.257 31.465 31.823 -0.168 0.000 1.066 215 V HN 0.775 nan 8.190 nan 0.000 0.481 216 R N 2.516 123.140 120.500 0.206 0.000 1.824 216 R HA -0.102 4.239 4.340 0.002 0.000 0.390 216 R C 0.205 176.581 176.300 0.127 0.000 0.226 216 R CA 0.657 56.779 56.100 0.037 0.000 1.417 216 R CB -1.537 28.648 30.300 -0.191 0.000 1.877 216 R HN 0.687 nan 8.270 nan 0.000 0.202 217 T N -1.587 113.116 114.554 0.249 0.000 2.936 217 T HA 0.627 4.978 4.350 0.002 0.000 0.282 217 T C -2.149 172.679 174.700 0.214 0.000 1.003 217 T CA -1.666 60.586 62.100 0.253 0.000 1.005 217 T CB 2.257 71.261 68.868 0.225 0.000 1.097 217 T HN -0.131 nan 8.240 nan 0.000 0.532 218 P HA 0.110 nan 4.420 nan 0.000 0.239 218 P C 0.629 177.949 177.300 0.034 0.000 1.184 218 P CA 0.356 63.514 63.100 0.097 0.000 0.760 218 P CB -0.154 31.581 31.700 0.059 0.000 0.884 219 T N 0.299 114.859 114.554 0.010 0.000 2.860 219 T HA 0.142 4.493 4.350 0.002 0.000 0.299 219 T C 0.924 175.483 174.700 -0.235 0.000 1.045 219 T CA -0.140 61.880 62.100 -0.134 0.000 1.071 219 T CB 0.239 68.987 68.868 -0.199 0.000 0.985 219 T HN -0.096 nan 8.240 nan 0.000 0.537 220 R N 2.410 122.683 120.500 -0.377 0.000 2.616 220 R HA 0.157 4.498 4.340 0.002 0.000 0.427 220 R C -0.300 175.611 176.300 -0.649 0.000 1.030 220 R CA -0.140 55.692 56.100 -0.446 0.000 1.133 220 R CB 0.528 30.674 30.300 -0.256 0.000 1.444 220 R HN 0.689 nan 8.270 nan 0.000 0.578 221 Q N 0.373 119.687 119.800 -0.810 0.000 2.361 221 Q HA 0.263 4.604 4.340 0.002 0.000 0.250 221 Q C -0.312 175.216 176.000 -0.787 0.000 1.023 221 Q CA 0.160 55.618 55.803 -0.575 0.000 0.915 221 Q CB 0.469 29.005 28.738 -0.336 0.000 1.238 221 Q HN 0.073 nan 8.270 nan 0.000 0.451 222 F N -0.974 118.957 119.950 -0.031 0.000 2.915 222 F HA 0.163 4.691 4.527 0.002 0.000 0.347 222 F C 0.400 176.200 175.800 -0.000 0.000 1.104 222 F CA -0.411 57.584 58.000 -0.008 0.000 1.126 222 F CB 1.044 40.046 39.000 0.004 0.000 1.145 222 F HN 0.194 nan 8.300 nan 0.000 0.541 223 S N 0.835 116.611 115.700 0.126 0.000 2.422 223 S HA 0.269 4.740 4.470 0.002 0.000 0.283 223 S C 0.994 175.634 174.600 0.066 0.000 1.163 223 S CA 0.071 58.329 58.200 0.096 0.000 1.054 223 S CB 0.530 63.804 63.200 0.123 0.000 0.967 223 S HN 0.323 nan 8.310 nan 0.000 0.499 224 S N 0.643 116.366 115.700 0.038 0.000 2.701 224 S HA 0.222 4.693 4.470 0.002 0.000 0.242 224 S C 0.105 174.701 174.600 -0.007 0.000 1.025 224 S CA -0.517 57.699 58.200 0.027 0.000 1.016 224 S CB 0.070 63.300 63.200 0.050 0.000 0.977 224 S HN 0.640 nan 8.310 nan 0.000 0.546 225 C N 2.026 121.299 119.300 -0.045 0.000 2.571 225 C HA 0.798 5.259 4.460 0.002 0.000 0.343 225 C C -0.564 174.359 174.990 -0.112 0.000 1.082 225 C CA -0.316 58.673 59.018 -0.048 0.000 1.339 225 C CB 0.118 27.853 27.740 -0.008 0.000 1.893 225 C HN 0.640 nan 8.230 nan 0.000 0.445 226 V N 6.148 125.969 119.914 -0.155 0.000 2.823 226 V HA 0.887 5.008 4.120 0.002 0.000 0.312 226 V C -1.634 174.387 176.094 -0.121 0.000 1.072 226 V CA -0.656 61.508 62.300 -0.227 0.000 0.937 226 V CB 2.011 33.507 31.823 -0.545 0.000 1.013 226 V HN 0.715 nan 8.190 nan 0.000 0.430 227 L N 5.985 127.149 121.223 -0.099 0.000 2.372 227 L HA 0.672 5.013 4.340 0.002 0.000 0.274 227 L C -0.579 176.259 176.870 -0.054 0.000 0.988 227 L CA 0.028 54.834 54.840 -0.057 0.000 0.833 227 L CB 1.660 43.684 42.059 -0.057 0.000 1.236 227 L HN 0.639 nan 8.230 nan 0.000 0.410 228 I N 2.379 122.921 120.570 -0.045 0.000 2.465 228 I HA 0.404 4.575 4.170 0.002 0.000 0.291 228 I C -0.248 175.840 176.117 -0.048 0.000 1.014 228 I CA -0.448 60.825 61.300 -0.045 0.000 1.093 228 I CB 2.042 40.007 38.000 -0.058 0.000 1.267 228 I HN 0.573 nan 8.210 nan 0.000 0.431 229 E N 5.887 126.066 120.200 -0.034 0.000 2.133 229 E HA 0.308 4.659 4.350 0.002 0.000 0.274 229 E C -1.424 175.173 176.600 -0.006 0.000 0.930 229 E CA -0.624 55.764 56.400 -0.020 0.000 0.770 229 E CB 1.699 31.382 29.700 -0.028 0.000 1.104 229 E HN 0.715 nan 8.360 nan 0.000 0.403 230 C N 4.469 123.776 119.300 0.011 0.000 2.435 230 C HA 0.694 5.155 4.460 0.002 0.000 0.375 230 C C 0.846 175.878 174.990 0.069 0.000 1.281 230 C CA -0.108 58.944 59.018 0.057 0.000 1.963 230 C CB -0.650 27.153 27.740 0.104 0.000 2.490 230 C HN 0.827 nan 8.230 nan 0.000 0.557 231 G N 3.400 112.244 108.800 0.073 0.000 2.504 231 G HA2 0.282 4.243 3.960 0.002 0.000 0.288 231 G HA3 0.282 4.243 3.960 0.002 0.000 0.288 231 G C -0.134 174.811 174.900 0.075 0.000 1.182 231 G CA -0.129 44.996 45.100 0.042 0.000 0.894 231 G HN 0.814 nan 8.290 nan 0.000 0.521 232 D N -0.246 120.146 120.400 -0.012 0.000 2.745 232 D HA 0.249 4.890 4.640 0.002 0.000 0.229 232 D C 0.464 176.731 176.300 -0.056 0.000 1.088 232 D CA 0.105 54.041 54.000 -0.107 0.000 1.054 232 D CB -0.575 40.056 40.800 -0.281 0.000 1.132 232 D HN 0.435 nan 8.370 nan 0.000 0.464 233 S N -0.666 115.201 115.700 0.279 0.000 2.570 233 S HA 0.294 4.765 4.470 0.002 0.000 0.270 233 S C 1.001 175.835 174.600 0.390 0.000 1.149 233 S CA -0.917 57.553 58.200 0.450 0.000 0.837 233 S CB 0.798 64.132 63.200 0.224 0.000 1.124 233 S HN 0.061 nan 8.310 nan 0.000 0.465 234 L N 0.753 122.124 121.223 0.247 0.000 2.083 234 L HA -0.081 4.260 4.340 0.002 0.000 0.209 234 L C 1.798 178.730 176.870 0.104 0.000 1.083 234 L CA 1.478 56.361 54.840 0.072 0.000 0.752 234 L CB -0.714 41.319 42.059 -0.043 0.000 0.899 234 L HN 0.688 nan 8.230 nan 0.000 0.433 235 D N -0.628 119.839 120.400 0.113 0.000 2.117 235 D HA -0.178 4.463 4.640 0.002 0.000 0.197 235 D C 2.377 178.748 176.300 0.119 0.000 0.987 235 D CA 1.462 55.521 54.000 0.098 0.000 0.829 235 D CB -0.113 40.735 40.800 0.081 0.000 0.961 235 D HN 0.099 nan 8.370 nan 0.000 0.460 236 S N -0.386 115.399 115.700 0.142 0.000 2.387 236 S HA -0.020 4.451 4.470 0.002 0.000 0.226 236 S C 2.090 176.814 174.600 0.206 0.000 1.026 236 S CA 0.191 58.480 58.200 0.148 0.000 0.972 236 S CB -0.152 63.127 63.200 0.132 0.000 0.814 236 S HN 0.142 nan 8.310 nan 0.000 0.477 237 I N 2.026 122.752 120.570 0.259 0.000 2.163 237 I HA -0.227 3.944 4.170 0.002 0.000 0.243 237 I C 2.154 178.481 176.117 0.350 0.000 1.085 237 I CA 1.118 62.637 61.300 0.365 0.000 1.347 237 I CB -0.444 37.713 38.000 0.263 0.000 1.044 237 I HN 0.282 nan 8.210 nan 0.000 0.408 238 N N 1.111 119.945 118.700 0.223 0.000 2.104 238 N HA -0.174 4.567 4.740 0.002 0.000 0.190 238 N C 1.845 177.459 175.510 0.174 0.000 1.024 238 N CA 1.772 54.938 53.050 0.194 0.000 0.853 238 N CB -0.516 38.045 38.487 0.124 0.000 1.008 238 N HN 0.390 nan 8.380 nan 0.000 0.424 239 A N 0.267 123.174 122.820 0.144 0.000 1.930 239 A HA -0.087 4.234 4.320 0.002 0.000 0.217 239 A C 2.343 179.993 177.584 0.109 0.000 1.175 239 A CA 1.876 53.978 52.037 0.108 0.000 0.627 239 A CB -1.001 18.053 19.000 0.090 0.000 0.815 239 A HN 0.326 nan 8.150 nan 0.000 0.443 240 T N -0.446 114.185 114.554 0.128 0.000 2.674 240 T HA -0.161 4.190 4.350 0.002 0.000 0.265 240 T C 2.284 177.030 174.700 0.077 0.000 1.039 240 T CA 1.779 63.911 62.100 0.054 0.000 1.150 240 T CB -0.483 68.372 68.868 -0.022 0.000 0.864 240 T HN 0.525 nan 8.240 nan 0.000 0.427 241 S N 0.819 116.661 115.700 0.238 0.000 2.351 241 S HA -0.171 4.300 4.470 0.002 0.000 0.220 241 S C 2.397 177.064 174.600 0.111 0.000 1.035 241 S CA 1.906 60.238 58.200 0.221 0.000 1.031 241 S CB -0.715 62.641 63.200 0.261 0.000 0.928 241 S HN 0.448 nan 8.310 nan 0.000 0.433 242 S N 1.566 117.332 115.700 0.109 0.000 2.368 242 S HA -0.151 4.320 4.470 0.002 0.000 0.226 242 S C 2.239 176.872 174.600 0.056 0.000 1.044 242 S CA 1.408 59.650 58.200 0.069 0.000 1.062 242 S CB -0.959 62.281 63.200 0.066 0.000 0.931 242 S HN 0.754 nan 8.310 nan 0.000 0.440 243 A N 1.013 123.877 122.820 0.073 0.000 1.940 243 A HA -0.092 4.229 4.320 0.002 0.000 0.219 243 A C 2.089 179.758 177.584 0.142 0.000 1.176 243 A CA 1.365 53.461 52.037 0.098 0.000 0.631 243 A CB -0.734 18.341 19.000 0.124 0.000 0.814 243 A HN 0.505 nan 8.150 nan 0.000 0.446 244 I N -0.717 119.913 120.570 0.100 0.000 2.179 244 I HA -0.216 3.955 4.170 0.002 0.000 0.242 244 I C 2.369 178.541 176.117 0.091 0.000 1.088 244 I CA 1.130 62.488 61.300 0.096 0.000 1.357 244 I CB -0.298 37.727 38.000 0.042 0.000 1.051 244 I HN 0.162 nan 8.210 nan 0.000 0.409 245 V N 0.806 120.752 119.914 0.053 0.000 2.287 245 V HA -0.305 3.816 4.120 0.002 0.000 0.248 245 V C 2.479 178.581 176.094 0.013 0.000 1.053 245 V CA 1.824 64.141 62.300 0.028 0.000 1.027 245 V CB -0.655 31.176 31.823 0.014 0.000 0.646 245 V HN 0.369 nan 8.190 nan 0.000 0.447 246 K N -1.228 119.162 120.400 -0.016 0.000 2.057 246 K HA -0.172 4.149 4.320 0.002 0.000 0.207 246 K C 2.154 178.678 176.600 -0.127 0.000 1.049 246 K CA 1.691 57.917 56.287 -0.103 0.000 0.931 246 K CB -0.280 32.109 32.500 -0.185 0.000 0.714 246 K HN 0.465 nan 8.250 nan 0.000 0.440 247 Y N 0.470 120.770 120.300 -0.000 0.000 2.395 247 Y HA -0.151 4.400 4.550 0.001 0.000 0.293 247 Y C 2.187 178.084 175.900 -0.004 0.000 1.123 247 Y CA 0.636 58.735 58.100 -0.002 0.000 1.227 247 Y CB -0.287 38.177 38.460 0.007 0.000 1.012 247 Y HN -0.106 nan 8.280 nan 0.000 0.552 248 V N -2.414 117.586 119.914 0.144 0.000 2.667 248 V HA -0.137 3.984 4.120 0.002 0.000 0.252 248 V C 2.081 178.205 176.094 0.049 0.000 1.065 248 V CA 1.553 63.904 62.300 0.085 0.000 1.083 248 V CB -1.155 30.704 31.823 0.059 0.000 0.692 248 V HN 0.415 nan 8.190 nan 0.000 0.468 249 S N 0.135 115.851 115.700 0.027 0.000 2.447 249 S HA -0.176 4.295 4.470 0.002 0.000 0.233 249 S C 1.791 176.390 174.600 -0.002 0.000 1.006 249 S CA 1.360 59.561 58.200 0.001 0.000 0.957 249 S CB -0.615 62.573 63.200 -0.020 0.000 0.773 249 S HN 0.744 nan 8.310 nan 0.000 0.507 250 Q N 0.317 120.127 119.800 0.017 0.000 2.246 250 Q HA 0.317 4.658 4.340 0.002 0.000 0.202 250 Q C -0.288 175.739 176.000 0.045 0.000 0.883 250 Q CA -0.329 55.484 55.803 0.017 0.000 0.952 250 Q CB 0.129 28.883 28.738 0.027 0.000 1.078 250 Q HN 0.385 nan 8.270 nan 0.000 0.493 251 R N -0.677 119.852 120.500 0.049 0.000 3.531 251 R HA -0.173 4.168 4.340 0.002 0.000 0.280 251 R C -0.684 175.650 176.300 0.056 0.000 1.130 251 R CA 0.568 56.694 56.100 0.045 0.000 0.757 251 R CB -1.945 28.372 30.300 0.027 0.000 1.218 251 R HN 0.257 nan 8.270 nan 0.000 0.454 252 A N 0.206 123.073 122.820 0.079 0.000 2.316 252 A HA 0.642 4.963 4.320 0.002 0.000 0.284 252 A C 0.862 178.466 177.584 0.034 0.000 1.115 252 A CA 0.325 52.394 52.037 0.053 0.000 0.812 252 A CB 0.895 19.924 19.000 0.048 0.000 1.064 252 A HN 0.315 nan 8.150 nan 0.000 0.489 253 G N 0.875 109.686 108.800 0.018 0.000 2.432 253 G HA2 0.497 4.458 3.960 0.002 0.000 0.257 253 G HA3 0.497 4.458 3.960 0.002 0.000 0.257 253 G C -0.206 174.694 174.900 0.000 0.000 1.238 253 G CA -0.338 44.775 45.100 0.020 0.000 0.838 253 G HN 0.542 nan 8.290 nan 0.000 0.547 254 I N 1.200 121.777 120.570 0.011 0.000 2.493 254 I HA 0.455 4.626 4.170 0.002 0.000 0.298 254 I C 0.700 176.844 176.117 0.044 0.000 0.998 254 I CA -0.724 60.577 61.300 0.003 0.000 1.137 254 I CB 1.404 39.403 38.000 -0.003 0.000 1.310 254 I HN 0.517 nan 8.210 nan 0.000 0.445 255 G N 6.277 115.118 108.800 0.068 0.000 2.370 255 G HA2 0.686 4.647 3.960 0.002 0.000 0.317 255 G HA3 0.686 4.647 3.960 0.002 0.000 0.317 255 G C -0.641 174.339 174.900 0.132 0.000 1.162 255 G CA -0.360 44.856 45.100 0.194 0.000 0.922 255 G HN 0.477 nan 8.290 nan 0.000 0.454 256 I N 2.272 122.930 120.570 0.146 0.000 2.354 256 I HA 0.208 4.379 4.170 0.002 0.000 0.292 256 I C -0.303 175.948 176.117 0.222 0.000 0.989 256 I CA -0.985 60.347 61.300 0.054 0.000 1.188 256 I CB 1.840 39.778 38.000 -0.103 0.000 1.342 256 I HN 0.347 nan 8.210 nan 0.000 0.457 257 N N 5.461 124.251 118.700 0.149 0.000 2.422 257 N HA 0.536 5.277 4.740 0.002 0.000 0.266 257 N C -0.168 175.457 175.510 0.191 0.000 1.007 257 N CA -0.336 52.847 53.050 0.222 0.000 0.941 257 N CB 1.789 40.348 38.487 0.120 0.000 1.115 257 N HN 0.738 nan 8.380 nan 0.000 0.492 258 A N 2.210 125.200 122.820 0.284 0.000 2.635 258 A HA 0.340 4.661 4.320 0.002 0.000 0.279 258 A C 1.468 179.231 177.584 0.299 0.000 1.122 258 A CA 0.149 52.362 52.037 0.293 0.000 0.965 258 A CB -0.327 18.901 19.000 0.380 0.000 1.221 258 A HN 0.667 nan 8.150 nan 0.000 0.566 259 G N 0.523 109.548 108.800 0.374 0.000 2.499 259 G HA2 -0.240 3.721 3.960 0.002 0.000 0.221 259 G HA3 -0.240 3.721 3.960 0.002 0.000 0.221 259 G C 1.462 176.576 174.900 0.356 0.000 1.109 259 G CA 1.076 46.455 45.100 0.466 0.000 0.749 259 G HN 0.499 nan 8.290 nan 0.000 0.568 260 R N -0.505 120.047 120.500 0.086 0.000 2.275 260 R HA 0.249 4.590 4.340 0.002 0.000 0.199 260 R C 0.742 177.041 176.300 -0.001 0.000 0.989 260 R CA -0.220 55.789 56.100 -0.152 0.000 1.016 260 R CB 0.006 30.138 30.300 -0.279 0.000 0.918 260 R HN 0.319 nan 8.270 nan 0.000 0.473 261 I N 3.663 124.311 120.570 0.130 0.000 2.587 261 I HA -0.034 4.137 4.170 0.002 0.000 0.284 261 I C 0.695 176.907 176.117 0.158 0.000 1.134 261 I CA -0.051 61.328 61.300 0.132 0.000 1.410 261 I CB 0.276 38.414 38.000 0.231 0.000 1.392 261 I HN 0.221 nan 8.210 nan 0.000 0.545 262 R N 5.872 126.345 120.500 -0.045 0.000 2.784 262 R HA 0.442 4.783 4.340 0.002 0.000 0.266 262 R C -0.230 176.145 176.300 0.126 0.000 1.044 262 R CA -0.523 55.561 56.100 -0.028 0.000 1.151 262 R CB 0.432 30.620 30.300 -0.188 0.000 1.037 262 R HN 0.628 nan 8.270 nan 0.000 0.478 263 A N 3.077 125.961 122.820 0.106 0.000 2.302 263 A HA 0.273 4.594 4.320 0.002 0.000 0.285 263 A C -0.080 177.561 177.584 0.095 0.000 1.105 263 A CA -0.850 51.291 52.037 0.172 0.000 0.816 263 A CB 0.544 19.626 19.000 0.137 0.000 1.067 263 A HN 0.786 nan 8.150 nan 0.000 0.489 264 L N 2.035 123.313 121.223 0.092 0.000 2.776 264 L HA 0.291 4.632 4.340 0.002 0.000 0.283 264 L C 1.160 178.037 176.870 0.012 0.000 1.194 264 L CA 2.440 57.313 54.840 0.054 0.000 0.947 264 L CB -0.425 41.658 42.059 0.041 0.000 1.255 264 L HN 1.618 nan 8.230 nan 0.000 0.481 265 G N 2.068 110.846 108.800 -0.037 0.000 2.391 265 G HA2 -0.226 3.735 3.960 0.002 0.000 0.204 265 G HA3 -0.226 3.735 3.960 0.002 0.000 0.204 265 G C 0.428 175.169 174.900 -0.266 0.000 1.012 265 G CA -0.014 45.023 45.100 -0.105 0.000 0.651 265 G HN 0.848 nan 8.290 nan 0.000 0.494 266 S N 3.675 119.251 115.700 -0.207 0.000 2.558 266 S HA 0.424 4.895 4.470 0.002 0.000 0.293 266 S C -1.912 172.500 174.600 -0.315 0.000 1.292 266 S CA -0.125 57.957 58.200 -0.196 0.000 1.063 266 S CB 0.739 63.884 63.200 -0.091 0.000 0.831 266 S HN 0.378 nan 8.310 nan 0.000 0.499 267 P HA -0.137 nan 4.420 nan 0.000 0.264 267 P C -0.040 177.284 177.300 0.039 0.000 1.139 267 P CA 0.382 63.442 63.100 -0.067 0.000 0.754 267 P CB 0.072 31.756 31.700 -0.027 0.000 0.737 268 I N 3.987 124.687 120.570 0.217 0.000 2.849 268 I HA -0.121 4.050 4.170 0.002 0.000 0.288 268 I C 1.982 178.216 176.117 0.195 0.000 1.156 268 I CA 0.213 61.729 61.300 0.360 0.000 1.394 268 I CB -0.044 38.107 38.000 0.251 0.000 1.462 268 I HN 0.259 nan 8.210 nan 0.000 0.587 269 R N 6.506 127.138 120.500 0.220 0.000 2.246 269 R HA -0.214 4.127 4.340 0.002 0.000 0.266 269 R C 1.160 177.524 176.300 0.107 0.000 1.163 269 R CA 1.843 58.044 56.100 0.168 0.000 0.992 269 R CB -0.814 29.646 30.300 0.266 0.000 0.895 269 R HN 0.920 nan 8.270 nan 0.000 0.465 270 G N -2.710 106.147 108.800 0.096 0.000 2.356 270 G HA2 0.166 4.127 3.960 0.002 0.000 0.233 270 G HA3 0.166 4.127 3.960 0.002 0.000 0.233 270 G C 0.520 175.457 174.900 0.062 0.000 1.105 270 G CA 0.434 45.572 45.100 0.064 0.000 0.861 270 G HN 1.213 nan 8.290 nan 0.000 0.493 271 G N -1.087 107.751 108.800 0.063 0.000 4.083 271 G HA2 -0.010 3.951 3.960 0.002 0.000 0.179 271 G HA3 -0.010 3.951 3.960 0.002 0.000 0.179 271 G C 0.493 175.409 174.900 0.026 0.000 2.061 271 G CA 0.698 45.824 45.100 0.043 0.000 1.122 271 G HN 0.712 nan 8.290 nan 0.000 0.350 272 E N 0.152 120.387 120.200 0.058 0.000 4.616 272 E HA 0.555 4.906 4.350 0.002 0.000 0.487 272 E C 0.467 176.982 176.600 -0.143 0.000 1.290 272 E CA 0.087 56.459 56.400 -0.047 0.000 3.081 272 E CB 0.530 30.254 29.700 0.039 0.000 1.792 272 E HN 1.118 nan 8.360 nan 0.000 0.672 273 A N 0.104 122.661 122.820 -0.440 0.000 3.241 273 A HA 0.257 4.578 4.320 0.002 0.000 0.198 273 A C -0.021 177.404 177.584 -0.266 0.000 1.003 273 A CA -0.516 51.367 52.037 -0.257 0.000 1.134 273 A CB -0.963 17.930 19.000 -0.177 0.000 1.289 273 A HN 0.461 nan 8.150 nan 0.000 0.623 274 F N -1.606 118.385 119.950 0.068 0.000 2.811 274 F HA 0.088 4.616 4.527 0.001 0.000 0.301 274 F C 1.887 177.726 175.800 0.065 0.000 1.151 274 F CA 0.100 58.134 58.000 0.056 0.000 1.412 274 F CB -0.454 38.574 39.000 0.046 0.000 1.113 274 F HN 0.507 nan 8.300 nan 0.000 0.579 275 H N 1.528 120.717 119.070 0.198 0.000 2.450 275 H HA -0.228 4.329 4.556 0.001 0.000 0.291 275 H C 2.287 177.650 175.328 0.059 0.000 1.128 275 H CA 2.303 58.408 56.048 0.095 0.000 1.203 275 H CB -0.110 29.682 29.762 0.050 0.000 1.356 275 H HN 0.437 nan 8.280 nan 0.000 0.503 276 T N -2.998 111.656 114.554 0.167 0.000 3.051 276 T HA 0.347 4.698 4.350 0.002 0.000 0.255 276 T C 1.126 175.866 174.700 0.066 0.000 1.085 276 T CA 0.772 62.922 62.100 0.083 0.000 1.109 276 T CB 0.615 69.496 68.868 0.021 0.000 0.921 276 T HN 0.674 nan 8.240 nan 0.000 0.488 285 F N 1.636 121.621 119.950 0.059 0.000 2.259 285 F HA 0.049 4.577 4.527 0.002 0.000 0.298 285 F C 2.653 178.440 175.800 -0.022 0.000 1.088 285 F CA 1.641 59.640 58.000 -0.002 0.000 1.358 285 F CB -0.598 38.434 39.000 0.055 0.000 1.040 285 F HN 0.334 nan 8.300 nan 0.000 0.505 286 Q N 0.431 120.335 119.800 0.174 0.000 1.993 286 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 286 Q C 2.179 178.217 176.000 0.062 0.000 0.984 286 Q CA 2.869 58.740 55.803 0.113 0.000 0.837 286 Q CB -0.221 28.590 28.738 0.122 0.000 0.902 286 Q HN 0.470 nan 8.270 nan 0.000 0.423 287 T N -1.411 113.161 114.554 0.031 0.000 2.881 287 T HA -0.027 4.324 4.350 0.002 0.000 0.270 287 T C 1.777 176.460 174.700 -0.028 0.000 1.068 287 T CA 0.957 63.059 62.100 0.005 0.000 1.131 287 T CB -0.389 68.481 68.868 0.004 0.000 0.871 287 T HN 0.374 nan 8.240 nan 0.000 0.479 288 A N 1.463 124.245 122.820 -0.064 0.000 1.855 288 A HA 0.071 4.392 4.320 0.002 0.000 0.215 288 A C 2.612 180.205 177.584 0.015 0.000 1.191 288 A CA 1.451 53.465 52.037 -0.039 0.000 0.613 288 A CB -1.160 17.822 19.000 -0.031 0.000 0.829 288 A HN 0.375 nan 8.150 nan 0.000 0.442 289 V N 0.300 120.239 119.914 0.041 0.000 2.568 289 V HA -0.193 3.928 4.120 0.002 0.000 0.253 289 V C 2.003 178.115 176.094 0.030 0.000 1.072 289 V CA 2.080 64.405 62.300 0.041 0.000 1.084 289 V CB -0.513 31.338 31.823 0.048 0.000 0.676 289 V HN 0.392 nan 8.190 nan 0.000 0.469 290 K N 0.124 120.537 120.400 0.022 0.000 2.374 290 K HA 0.149 4.470 4.320 0.002 0.000 0.196 290 K C 2.072 178.674 176.600 0.003 0.000 1.023 290 K CA 0.817 57.109 56.287 0.009 0.000 1.103 290 K CB 0.077 32.578 32.500 0.001 0.000 0.848 290 K HN 0.665 nan 8.250 nan 0.000 0.528 291 S N -0.569 115.134 115.700 0.004 0.000 2.469 291 S HA -0.119 4.352 4.470 0.002 0.000 0.238 291 S C 1.361 175.961 174.600 0.001 0.000 0.998 291 S CA 0.476 58.676 58.200 0.001 0.000 0.957 291 S CB -0.482 62.717 63.200 -0.002 0.000 0.764 291 S HN 0.202 nan 8.310 nan 0.000 0.514 292 C N 2.513 121.815 119.300 0.004 0.000 2.667 292 C HA 0.614 5.075 4.460 0.002 0.000 0.261 292 C C 0.219 175.210 174.990 0.002 0.000 1.590 292 C CA -0.931 58.089 59.018 0.002 0.000 1.668 292 C CB -1.373 26.369 27.740 0.005 0.000 2.962 292 C HN 0.391 nan 8.230 nan 0.000 0.525 293 S N 0.961 116.660 115.700 -0.003 0.000 2.707 293 S HA 0.592 5.063 4.470 0.002 0.000 0.303 293 S C -0.242 174.352 174.600 -0.010 0.000 1.132 293 S CA -0.325 57.871 58.200 -0.006 0.000 1.046 293 S CB 1.891 65.085 63.200 -0.010 0.000 1.004 293 S HN 0.627 nan 8.310 nan 0.000 0.483 294 Q N 1.946 121.742 119.800 -0.007 0.000 1.308 294 Q HA -0.193 4.148 4.340 0.002 0.000 0.337 294 Q C 0.289 176.284 176.000 -0.009 0.000 0.978 294 Q CA 1.921 57.719 55.803 -0.009 0.000 0.716 294 Q CB -1.449 27.280 28.738 -0.015 0.000 4.272 294 Q HN 1.082 nan 8.270 nan 0.000 0.541 295 G N -0.055 108.737 108.800 -0.013 0.000 3.005 295 G HA2 0.524 4.485 3.960 0.002 0.000 0.342 295 G HA3 0.524 4.485 3.960 0.002 0.000 0.342 295 G C 0.882 175.767 174.900 -0.025 0.000 1.101 295 G CA 0.706 45.798 45.100 -0.014 0.000 1.225 295 G HN 1.548 nan 8.290 nan 0.000 0.462 296 G N 1.110 109.894 108.800 -0.026 0.000 3.639 296 G HA2 -0.404 3.557 3.960 0.002 0.000 0.224 296 G HA3 -0.404 3.557 3.960 0.002 0.000 0.224 296 G C 1.664 176.524 174.900 -0.066 0.000 1.339 296 G CA 1.542 46.619 45.100 -0.038 0.000 0.933 296 G HN 1.394 nan 8.290 nan 0.000 0.568 297 V N -0.711 119.152 119.914 -0.086 0.000 2.229 297 V HA 0.212 4.333 4.120 0.002 0.000 0.243 297 V C 1.508 177.543 176.094 -0.098 0.000 1.042 297 V CA 2.095 64.310 62.300 -0.142 0.000 1.000 297 V CB -0.534 31.209 31.823 -0.133 0.000 0.637 297 V HN 0.448 nan 8.190 nan 0.000 0.446 298 R N 1.379 121.849 120.500 -0.050 0.000 2.255 298 R HA 0.563 4.904 4.340 0.002 0.000 0.326 298 R C 0.165 176.462 176.300 -0.005 0.000 0.986 298 R CA 0.737 56.825 56.100 -0.021 0.000 0.847 298 R CB 0.850 31.144 30.300 -0.010 0.000 1.111 298 R HN 0.841 nan 8.270 nan 0.000 0.452 299 G N 0.904 109.708 108.800 0.007 0.000 2.617 299 G HA2 0.236 4.197 3.960 0.002 0.000 0.686 299 G HA3 0.236 4.197 3.960 0.002 0.000 0.686 299 G C -0.248 174.663 174.900 0.017 0.000 1.214 299 G CA -0.506 44.603 45.100 0.015 0.000 0.796 299 G HN 0.904 nan 8.290 nan 0.000 0.654 300 G N -1.064 107.751 108.800 0.026 0.000 3.396 300 G HA2 0.542 4.503 3.960 0.002 0.000 0.682 300 G HA3 0.542 4.503 3.960 0.002 0.000 0.682 300 G C 0.169 175.090 174.900 0.034 0.000 0.924 300 G CA 0.871 45.989 45.100 0.030 0.000 0.770 300 G HN 2.744 nan 8.290 nan 0.000 0.484 301 A N 1.634 124.476 122.820 0.036 0.000 2.398 301 A HA 1.158 5.479 4.320 0.002 0.000 0.301 301 A C 0.200 177.800 177.584 0.027 0.000 1.041 301 A CA 0.380 52.439 52.037 0.036 0.000 0.711 301 A CB 1.763 20.790 19.000 0.045 0.000 1.240 301 A HN 2.671 nan 8.150 nan 0.000 0.420 302 A N 1.034 123.860 122.820 0.009 0.000 2.515 302 A HA 0.931 5.252 4.320 0.002 0.000 0.296 302 A C -0.414 177.127 177.584 -0.071 0.000 1.094 302 A CA -0.542 51.486 52.037 -0.015 0.000 0.718 302 A CB 1.540 20.528 19.000 -0.020 0.000 1.307 302 A HN 0.883 nan 8.150 nan 0.000 0.408 303 T N 1.291 115.795 114.554 -0.082 0.000 2.861 303 T HA 0.593 4.944 4.350 0.002 0.000 0.287 303 T C -0.991 173.526 174.700 -0.306 0.000 1.003 303 T CA -0.209 61.753 62.100 -0.229 0.000 0.977 303 T CB 1.083 69.889 68.868 -0.102 0.000 0.996 303 T HN 0.682 nan 8.240 nan 0.000 0.448 304 L N 3.518 124.449 121.223 -0.485 0.000 2.362 304 L HA 0.774 5.115 4.340 0.002 0.000 0.275 304 L C -1.697 175.012 176.870 -0.269 0.000 0.998 304 L CA -0.825 53.889 54.840 -0.211 0.000 0.820 304 L CB 0.885 42.914 42.059 -0.051 0.000 1.270 304 L HN 0.527 nan 8.230 nan 0.000 0.415 305 F N 4.511 124.521 119.950 0.099 0.000 2.480 305 F HA 0.636 5.165 4.527 0.003 0.000 0.329 305 F C -0.431 175.453 175.800 0.141 0.000 1.091 305 F CA -0.492 57.532 58.000 0.039 0.000 0.972 305 F CB 1.517 40.552 39.000 0.058 0.000 1.150 305 F HN 0.408 nan 8.300 nan 0.000 0.467 306 Y N 0.463 120.947 120.300 0.308 0.000 2.625 306 Y HA 0.819 5.370 4.550 0.001 0.000 0.338 306 Y C -3.477 172.488 175.900 0.108 0.000 1.123 306 Y CA -3.799 54.418 58.100 0.196 0.000 1.046 306 Y CB 0.937 39.426 38.460 0.049 0.000 1.299 306 Y HN 0.226 nan 8.280 nan 0.000 0.464 307 P HA 0.261 nan 4.420 nan 0.000 0.290 307 P C 0.630 177.801 177.300 -0.214 0.000 1.275 307 P CA -0.709 62.286 63.100 -0.176 0.000 0.841 307 P CB 1.685 32.849 31.700 -0.893 0.000 1.042 308 M N 2.824 122.332 119.600 -0.154 0.000 2.192 308 M HA -0.122 4.359 4.480 0.002 0.000 0.259 308 M C 0.877 177.168 176.300 -0.014 0.000 1.071 308 M CA 2.013 57.275 55.300 -0.064 0.000 1.082 308 M CB -0.336 32.197 32.600 -0.113 0.000 1.373 308 M HN 0.478 nan 8.290 nan 0.000 0.408 309 W N -0.799 120.497 121.300 -0.007 0.000 3.180 309 W HA 0.110 4.771 4.660 0.002 0.000 0.254 309 W C 0.203 176.763 176.519 0.069 0.000 1.318 309 W CA -0.473 56.883 57.345 0.019 0.000 1.608 309 W CB -1.522 27.970 29.460 0.053 0.000 1.124 309 W HN 0.127 nan 8.180 nan 0.000 0.694 310 H N 2.649 121.649 119.070 -0.117 0.000 3.094 310 H HA -0.110 4.447 4.556 0.002 0.000 0.320 310 H C 1.309 176.667 175.328 0.050 0.000 1.000 310 H CA 0.800 56.828 56.048 -0.032 0.000 1.413 310 H CB 1.404 31.077 29.762 -0.148 0.000 1.405 310 H HN 0.043 nan 8.280 nan 0.000 0.586 311 L N 5.146 126.403 121.223 0.057 0.000 2.064 311 L HA -0.254 4.087 4.340 0.002 0.000 0.216 311 L C 1.877 178.826 176.870 0.132 0.000 1.077 311 L CA 2.021 56.913 54.840 0.087 0.000 0.766 311 L CB -0.412 41.665 42.059 0.030 0.000 0.890 311 L HN 0.739 nan 8.230 nan 0.000 0.435 312 E N -1.552 118.818 120.200 0.284 0.000 2.481 312 E HA -0.091 4.260 4.350 0.002 0.000 0.195 312 E C 2.196 178.732 176.600 -0.106 0.000 1.047 312 E CA 0.604 57.030 56.400 0.044 0.000 0.867 312 E CB -0.065 29.618 29.700 -0.028 0.000 0.858 312 E HN 0.402 nan 8.360 nan 0.000 0.513 313 V N 1.915 121.769 119.914 -0.100 0.000 2.353 313 V HA -0.396 3.725 4.120 0.002 0.000 0.260 313 V C 2.008 178.014 176.094 -0.147 0.000 1.091 313 V CA 2.325 64.520 62.300 -0.174 0.000 1.088 313 V CB -0.178 31.626 31.823 -0.032 0.000 0.672 313 V HN 0.297 nan 8.190 nan 0.000 0.455 314 E N -1.003 119.141 120.200 -0.094 0.000 2.107 314 E HA -0.139 4.212 4.350 0.002 0.000 0.191 314 E C 2.338 178.875 176.600 -0.105 0.000 0.982 314 E CA 1.360 57.712 56.400 -0.081 0.000 0.809 314 E CB -0.115 29.553 29.700 -0.052 0.000 0.756 314 E HN 0.657 nan 8.360 nan 0.000 0.459 315 S N 0.521 116.149 115.700 -0.120 0.000 2.406 315 S HA -0.040 4.431 4.470 0.002 0.000 0.228 315 S C 1.910 176.390 174.600 -0.201 0.000 1.020 315 S CA 0.551 58.671 58.200 -0.133 0.000 0.965 315 S CB -0.015 63.118 63.200 -0.113 0.000 0.798 315 S HN 0.192 nan 8.310 nan 0.000 0.488 316 L N 0.602 121.650 121.223 -0.290 0.000 2.072 316 L HA -0.011 4.330 4.340 0.002 0.000 0.205 316 L C 2.018 178.669 176.870 -0.365 0.000 1.079 316 L CA 0.534 55.116 54.840 -0.431 0.000 0.752 316 L CB -0.529 41.037 42.059 -0.821 0.000 0.906 316 L HN 0.260 nan 8.230 nan 0.000 0.436 317 L N 0.152 121.242 121.223 -0.222 0.000 2.265 317 L HA -0.109 4.232 4.340 0.002 0.000 0.215 317 L C 2.100 178.870 176.870 -0.166 0.000 1.117 317 L CA 1.528 56.287 54.840 -0.135 0.000 0.782 317 L CB -0.646 41.371 42.059 -0.070 0.000 0.914 317 L HN 0.260 nan 8.230 nan 0.000 0.441 318 V N -5.452 114.359 119.914 -0.172 0.000 3.376 318 V HA 0.125 4.246 4.120 0.002 0.000 0.313 318 V C 1.850 177.853 176.094 -0.152 0.000 1.393 318 V CA 0.078 62.297 62.300 -0.134 0.000 1.125 318 V CB -0.420 31.346 31.823 -0.095 0.000 1.037 318 V HN 0.191 nan 8.190 nan 0.000 0.440 319 L N -0.234 120.848 121.223 -0.236 0.000 2.265 319 L HA -0.024 4.317 4.340 0.002 0.000 0.215 319 L C 2.532 179.335 176.870 -0.112 0.000 1.117 319 L CA 1.611 56.328 54.840 -0.206 0.000 0.782 319 L CB -0.451 41.405 42.059 -0.338 0.000 0.914 319 L HN 0.297 nan 8.230 nan 0.000 0.441 320 K N -0.742 119.598 120.400 -0.100 0.000 2.400 320 K HA 0.024 4.345 4.320 0.002 0.000 0.194 320 K C 0.708 177.275 176.600 -0.056 0.000 1.033 320 K CA -0.299 55.967 56.287 -0.036 0.000 1.021 320 K CB 0.110 32.615 32.500 0.009 0.000 0.808 320 K HN 0.216 nan 8.250 nan 0.000 0.505 321 N N 1.462 120.125 118.700 -0.062 0.000 2.345 321 N HA -0.090 4.651 4.740 0.002 0.000 0.243 321 N C 0.179 175.663 175.510 -0.043 0.000 1.246 321 N CA 0.660 53.680 53.050 -0.049 0.000 0.863 321 N CB 0.528 38.984 38.487 -0.052 0.000 1.096 321 N HN 0.177 nan 8.380 nan 0.000 0.446 322 N N 0.367 119.048 118.700 -0.031 0.000 2.416 322 N HA -0.030 4.711 4.740 0.002 0.000 0.177 322 N C -0.273 175.227 175.510 -0.018 0.000 1.036 322 N CA 0.251 53.288 53.050 -0.023 0.000 0.901 322 N CB 0.359 38.838 38.487 -0.012 0.000 0.976 322 N HN 0.506 nan 8.380 nan 0.000 0.444 323 R N 0.088 120.576 120.500 -0.020 0.000 2.445 323 R HA 0.732 5.073 4.340 0.002 0.000 0.308 323 R C -0.319 175.968 176.300 -0.022 0.000 0.961 323 R CA -0.719 55.371 56.100 -0.017 0.000 0.862 323 R CB 1.843 32.134 30.300 -0.015 0.000 1.144 323 R HN -0.087 nan 8.270 nan 0.000 0.447 324 G N 0.757 109.547 108.800 -0.018 0.000 2.341 324 G HA2 0.173 4.134 3.960 0.002 0.000 0.293 324 G HA3 0.173 4.134 3.960 0.002 0.000 0.293 324 G C -1.471 173.420 174.900 -0.015 0.000 1.298 324 G CA -0.416 44.672 45.100 -0.021 0.000 0.868 324 G HN 0.601 nan 8.290 nan 0.000 0.540 325 V N 0.550 120.454 119.914 -0.016 0.000 2.686 325 V HA 0.420 4.541 4.120 0.002 0.000 0.295 325 V C 1.632 177.720 176.094 -0.009 0.000 1.055 325 V CA 0.641 62.935 62.300 -0.011 0.000 1.050 325 V CB 1.308 33.124 31.823 -0.011 0.000 0.984 325 V HN 0.784 nan 8.190 nan 0.000 0.482 326 E N 4.593 124.792 120.200 -0.002 0.000 2.169 326 E HA -0.185 4.166 4.350 0.002 0.000 0.202 326 E C 1.881 178.483 176.600 0.003 0.000 1.016 326 E CA 1.965 58.368 56.400 0.005 0.000 0.817 326 E CB -0.748 28.960 29.700 0.012 0.000 0.736 326 E HN 0.977 nan 8.360 nan 0.000 0.462 327 G N -0.068 108.730 108.800 -0.003 0.000 2.920 327 G HA2 -0.136 3.825 3.960 0.002 0.000 0.208 327 G HA3 -0.136 3.825 3.960 0.002 0.000 0.208 327 G C 1.197 176.088 174.900 -0.015 0.000 1.159 327 G CA -0.032 45.064 45.100 -0.006 0.000 0.784 327 G HN 0.264 nan 8.290 nan 0.000 0.535 328 N N -0.327 118.361 118.700 -0.021 0.000 2.336 328 N HA 0.087 4.828 4.740 0.002 0.000 0.189 328 N C 0.029 175.514 175.510 -0.042 0.000 1.113 328 N CA -0.108 52.921 53.050 -0.035 0.000 0.858 328 N CB 0.330 38.795 38.487 -0.036 0.000 0.970 328 N HN -0.028 nan 8.380 nan 0.000 0.471 329 R N 0.627 121.112 120.500 -0.026 0.000 2.686 329 R HA 0.462 4.803 4.340 0.002 0.000 0.283 329 R C -1.176 175.126 176.300 0.003 0.000 0.978 329 R CA -0.657 55.427 56.100 -0.027 0.000 0.897 329 R CB 2.121 32.405 30.300 -0.026 0.000 1.192 329 R HN -0.275 nan 8.270 nan 0.000 0.457 330 V N 3.897 123.823 119.914 0.019 0.000 2.516 330 V HA 0.345 4.466 4.120 0.002 0.000 0.271 330 V C 0.844 176.992 176.094 0.089 0.000 0.992 330 V CA -0.432 61.922 62.300 0.090 0.000 0.857 330 V CB 1.407 33.338 31.823 0.180 0.000 1.047 330 V HN 0.684 nan 8.190 nan 0.000 0.455 331 R N 0.640 121.094 120.500 -0.077 0.000 2.265 331 R HA 0.214 4.555 4.340 0.002 0.000 0.194 331 R C 0.446 176.509 176.300 -0.395 0.000 0.931 331 R CA 0.378 56.309 56.100 -0.282 0.000 1.032 331 R CB 0.337 30.355 30.300 -0.470 0.000 0.980 331 R HN 0.693 nan 8.270 nan 0.000 0.497 332 H N -0.245 118.862 119.070 0.061 0.000 2.507 332 H HA 0.357 4.913 4.556 0.001 0.000 0.271 332 H C -0.239 175.087 175.328 -0.002 0.000 1.224 332 H CA 0.079 56.146 56.048 0.031 0.000 1.000 332 H CB 0.233 30.013 29.762 0.030 0.000 1.663 332 H HN -0.021 nan 8.280 nan 0.000 0.548 333 M N 1.061 120.659 119.600 -0.003 0.000 2.371 333 M HA 0.184 4.665 4.480 0.002 0.000 0.287 333 M C -0.961 175.114 176.300 -0.375 0.000 1.149 333 M CA -0.719 54.471 55.300 -0.183 0.000 0.929 333 M CB 3.019 35.451 32.600 -0.279 0.000 1.683 333 M HN 0.054 nan 8.290 nan 0.000 0.470 334 D N 1.212 121.395 120.400 -0.361 0.000 2.383 334 D HA 0.477 5.118 4.640 0.002 0.000 0.248 334 D C -1.279 174.549 176.300 -0.787 0.000 1.170 334 D CA 0.558 54.307 54.000 -0.418 0.000 0.977 334 D CB 0.724 41.396 40.800 -0.213 0.000 1.120 334 D HN 0.313 nan 8.370 nan 0.000 0.481 335 Y N -1.496 118.579 120.300 -0.376 0.000 2.524 335 Y HA 0.534 5.085 4.550 0.001 0.000 0.347 335 Y C 0.639 176.261 175.900 -0.464 0.000 1.005 335 Y CA -1.172 56.705 58.100 -0.371 0.000 1.025 335 Y CB 2.441 40.792 38.460 -0.182 0.000 1.275 335 Y HN 0.318 nan 8.280 nan 0.000 0.460 336 G N 1.387 109.879 108.800 -0.514 0.000 2.487 336 G HA2 0.547 4.508 3.960 0.002 0.000 0.314 336 G HA3 0.547 4.508 3.960 0.002 0.000 0.314 336 G C -1.469 173.271 174.900 -0.268 0.000 1.267 336 G CA -0.676 44.262 45.100 -0.270 0.000 0.937 336 G HN 0.440 nan 8.290 nan 0.000 0.481 337 V N 2.542 122.335 119.914 -0.201 0.000 2.498 337 V HA 0.271 4.392 4.120 0.002 0.000 0.279 337 V C 0.168 176.242 176.094 -0.034 0.000 1.048 337 V CA -0.524 61.613 62.300 -0.271 0.000 0.967 337 V CB 1.158 32.890 31.823 -0.151 0.000 0.988 337 V HN 0.735 nan 8.190 nan 0.000 0.473 338 Q N 4.746 124.553 119.800 0.011 0.000 2.303 338 Q HA 0.653 4.994 4.340 0.002 0.000 0.257 338 Q C -0.892 175.178 176.000 0.116 0.000 0.941 338 Q CA -0.183 55.688 55.803 0.112 0.000 0.931 338 Q CB 1.858 30.726 28.738 0.217 0.000 1.215 338 Q HN 0.658 nan 8.270 nan 0.000 0.437 339 I N 1.846 122.435 120.570 0.032 0.000 2.797 339 I HA 0.481 4.652 4.170 0.002 0.000 0.307 339 I C -0.232 175.821 176.117 -0.107 0.000 1.033 339 I CA -1.089 60.195 61.300 -0.027 0.000 1.071 339 I CB 1.808 39.715 38.000 -0.154 0.000 1.255 339 I HN 0.650 nan 8.210 nan 0.000 0.445 340 N N 2.384 121.004 118.700 -0.134 0.000 2.831 340 N HA 0.289 5.030 4.740 0.002 0.000 0.276 340 N C 0.012 175.465 175.510 -0.095 0.000 1.416 340 N CA -0.989 51.958 53.050 -0.173 0.000 0.799 340 N CB 1.204 39.443 38.487 -0.414 0.000 1.554 340 N HN 0.494 nan 8.380 nan 0.000 0.541 341 K N -0.368 119.985 120.400 -0.078 0.000 2.074 341 K HA -0.063 4.258 4.320 0.002 0.000 0.209 341 K C 1.594 178.200 176.600 0.009 0.000 1.048 341 K CA 1.117 57.373 56.287 -0.053 0.000 0.926 341 K CB -0.262 32.291 32.500 0.089 0.000 0.713 341 K HN 0.561 nan 8.250 nan 0.000 0.444 342 L N 0.669 121.900 121.223 0.014 0.000 2.083 342 L HA -0.202 4.139 4.340 0.002 0.000 0.209 342 L C 2.343 179.231 176.870 0.029 0.000 1.083 342 L CA 0.955 55.824 54.840 0.049 0.000 0.752 342 L CB -0.123 41.998 42.059 0.103 0.000 0.899 342 L HN 0.257 nan 8.230 nan 0.000 0.433 343 M N -1.206 118.386 119.600 -0.014 0.000 2.117 343 M HA -0.239 4.242 4.480 0.002 0.000 0.262 343 M C 2.302 178.610 176.300 0.014 0.000 1.065 343 M CA 1.812 57.119 55.300 0.011 0.000 1.114 343 M CB -1.336 31.228 32.600 -0.060 0.000 1.361 343 M HN 0.246 nan 8.290 nan 0.000 0.408 344 Y N 1.087 121.387 120.300 -0.001 0.000 2.114 344 Y HA -0.184 4.367 4.550 0.002 0.000 0.284 344 Y C 2.814 178.620 175.900 -0.157 0.000 1.143 344 Y CA 1.931 59.926 58.100 -0.176 0.000 1.135 344 Y CB -1.596 36.660 38.460 -0.339 0.000 0.980 344 Y HN 0.281 nan 8.280 nan 0.000 0.499 345 T N 0.599 115.192 114.554 0.065 0.000 2.624 345 T HA -0.251 4.100 4.350 0.002 0.000 0.268 345 T C 2.011 176.723 174.700 0.020 0.000 1.041 345 T CA 1.765 63.886 62.100 0.036 0.000 1.159 345 T CB -0.248 68.649 68.868 0.049 0.000 0.863 345 T HN 0.198 nan 8.240 nan 0.000 0.434 346 R N 0.708 121.232 120.500 0.040 0.000 2.083 346 R HA -0.034 4.307 4.340 0.002 0.000 0.237 346 R C 2.455 178.758 176.300 0.005 0.000 1.137 346 R CA 1.034 57.165 56.100 0.051 0.000 0.951 346 R CB -1.431 28.931 30.300 0.104 0.000 0.851 346 R HN 0.368 nan 8.270 nan 0.000 0.434 347 L N 1.389 122.569 121.223 -0.070 0.000 1.963 347 L HA -0.200 4.141 4.340 0.002 0.000 0.220 347 L C 2.305 179.101 176.870 -0.123 0.000 1.076 347 L CA 1.805 56.526 54.840 -0.199 0.000 0.772 347 L CB -0.850 40.801 42.059 -0.680 0.000 0.892 347 L HN 0.116 nan 8.230 nan 0.000 0.435 348 L N -0.534 120.626 121.223 -0.104 0.000 2.013 348 L HA -0.280 4.061 4.340 0.002 0.000 0.212 348 L C 2.292 179.146 176.870 -0.027 0.000 1.073 348 L CA 1.869 56.675 54.840 -0.056 0.000 0.753 348 L CB -0.782 41.257 42.059 -0.033 0.000 0.890 348 L HN 0.326 nan 8.230 nan 0.000 0.432 349 K N 0.371 120.763 120.400 -0.012 0.000 2.569 349 K HA 0.063 4.384 4.320 0.002 0.000 0.193 349 K C 1.130 177.732 176.600 0.003 0.000 1.026 349 K CA 0.480 56.767 56.287 0.001 0.000 1.093 349 K CB -0.224 32.283 32.500 0.013 0.000 0.849 349 K HN 0.458 nan 8.250 nan 0.000 0.509 350 G N 2.148 110.944 108.800 -0.006 0.000 2.337 350 G HA2 -0.319 3.642 3.960 0.002 0.000 0.290 350 G HA3 -0.319 3.642 3.960 0.002 0.000 0.290 350 G C -0.084 174.825 174.900 0.015 0.000 1.003 350 G CA 0.789 45.890 45.100 0.002 0.000 0.825 350 G HN 0.472 nan 8.290 nan 0.000 0.509 351 E N -0.521 119.694 120.200 0.024 0.000 3.601 351 E HA 0.457 4.808 4.350 0.002 0.000 0.273 351 E C -0.437 176.192 176.600 0.049 0.000 1.368 351 E CA -0.780 55.641 56.400 0.035 0.000 1.286 351 E CB 0.450 30.176 29.700 0.043 0.000 1.383 351 E HN 0.170 nan 8.360 nan 0.000 0.746 352 D N -0.027 120.406 120.400 0.055 0.000 2.198 352 D HA 0.408 5.049 4.640 0.002 0.000 0.247 352 D C -0.681 175.678 176.300 0.098 0.000 1.010 352 D CA -0.363 53.672 54.000 0.059 0.000 0.880 352 D CB 1.231 42.048 40.800 0.029 0.000 1.209 352 D HN 0.182 nan 8.370 nan 0.000 0.451 353 I N 0.716 121.349 120.570 0.105 0.000 2.437 353 I HA 0.232 4.403 4.170 0.002 0.000 0.298 353 I C 0.168 176.332 176.117 0.078 0.000 0.984 353 I CA -0.339 61.052 61.300 0.152 0.000 1.214 353 I CB 1.689 39.784 38.000 0.159 0.000 1.365 353 I HN 0.094 nan 8.210 nan 0.000 0.469 354 T N 6.617 121.225 114.554 0.090 0.000 2.794 354 T HA 0.540 4.891 4.350 0.002 0.000 0.280 354 T C -0.193 174.321 174.700 -0.311 0.000 0.987 354 T CA -0.558 61.404 62.100 -0.231 0.000 0.993 354 T CB 0.847 69.389 68.868 -0.543 0.000 0.939 354 T HN 0.242 nan 8.240 nan 0.000 0.449 355 L N 3.319 124.331 121.223 -0.352 0.000 2.334 355 L HA 0.678 5.019 4.340 0.002 0.000 0.277 355 L C -0.891 175.729 176.870 -0.417 0.000 1.075 355 L CA -0.723 54.005 54.840 -0.187 0.000 0.804 355 L CB 0.583 42.610 42.059 -0.053 0.000 1.174 355 L HN 0.528 nan 8.230 nan 0.000 0.438 356 F N -0.182 119.884 119.950 0.192 0.000 2.591 356 F HA 0.261 4.789 4.527 0.002 0.000 0.309 356 F C 0.335 176.156 175.800 0.035 0.000 1.098 356 F CA -0.744 57.300 58.000 0.073 0.000 0.937 356 F CB 2.097 41.095 39.000 -0.003 0.000 1.250 356 F HN 0.294 nan 8.300 nan 0.000 0.447 357 S N 3.384 119.164 115.700 0.134 0.000 2.516 357 S HA 0.187 4.658 4.470 0.002 0.000 0.282 357 S C -1.647 172.984 174.600 0.051 0.000 1.286 357 S CA -1.032 57.139 58.200 -0.048 0.000 1.066 357 S CB 0.783 63.960 63.200 -0.039 0.000 0.884 357 S HN 0.368 nan 8.310 nan 0.000 0.491 358 P HA -0.142 nan 4.420 nan 0.000 0.218 358 P C 1.270 178.591 177.300 0.034 0.000 1.146 358 P CA 1.340 64.561 63.100 0.201 0.000 0.820 358 P CB -0.052 31.750 31.700 0.170 0.000 0.778 359 S N -2.722 112.950 115.700 -0.046 0.000 2.607 359 S HA -0.018 4.453 4.470 0.002 0.000 0.224 359 S C 0.943 175.471 174.600 -0.120 0.000 0.969 359 S CA 0.572 58.715 58.200 -0.094 0.000 0.927 359 S CB -0.523 62.603 63.200 -0.122 0.000 0.772 359 S HN 0.065 nan 8.310 nan 0.000 0.533 360 D N 1.348 121.654 120.400 -0.156 0.000 2.571 360 D HA 0.236 4.877 4.640 0.002 0.000 0.239 360 D C -0.199 175.818 176.300 -0.472 0.000 1.267 360 D CA 0.130 53.987 54.000 -0.237 0.000 0.823 360 D CB 1.445 42.139 40.800 -0.177 0.000 1.056 360 D HN 0.417 nan 8.370 nan 0.000 0.494 361 V N -1.582 118.036 119.914 -0.494 0.000 3.020 361 V HA 0.337 4.458 4.120 0.002 0.000 0.275 361 V C -3.054 172.807 176.094 -0.388 0.000 0.868 361 V CA -1.848 59.913 62.300 -0.900 0.000 1.087 361 V CB 0.968 32.241 31.823 -0.916 0.000 0.954 361 V HN -0.248 nan 8.190 nan 0.000 0.495 362 P HA 0.314 nan 4.420 nan 0.000 0.261 362 P C 1.330 178.716 177.300 0.144 0.000 1.183 362 P CA 2.303 65.411 63.100 0.013 0.000 0.761 362 P CB 0.757 32.474 31.700 0.028 0.000 0.785 363 G N 2.663 111.550 108.800 0.145 0.000 2.253 363 G HA2 -0.325 3.636 3.960 0.002 0.000 0.251 363 G HA3 -0.325 3.636 3.960 0.002 0.000 0.251 363 G C 0.844 175.879 174.900 0.225 0.000 0.998 363 G CA 0.212 45.416 45.100 0.173 0.000 0.621 363 G HN 0.539 nan 8.290 nan 0.000 0.524 364 L N -0.783 120.573 121.223 0.223 0.000 2.056 364 L HA 0.060 4.401 4.340 0.002 0.000 0.207 364 L C 2.404 179.516 176.870 0.404 0.000 1.078 364 L CA 2.409 57.357 54.840 0.180 0.000 0.749 364 L CB -0.355 41.673 42.059 -0.052 0.000 0.901 364 L HN 0.464 nan 8.230 nan 0.000 0.433 365 Y N 1.019 121.561 120.300 0.404 0.000 2.089 365 Y HA -0.333 4.218 4.550 0.001 0.000 0.282 365 Y C 2.388 178.670 175.900 0.636 0.000 1.139 365 Y CA 2.100 60.580 58.100 0.633 0.000 1.123 365 Y CB -0.164 38.624 38.460 0.547 0.000 0.980 365 Y HN 0.274 nan 8.280 nan 0.000 0.493 366 D N 0.072 120.873 120.400 0.667 0.000 2.133 366 D HA -0.256 4.385 4.640 0.002 0.000 0.192 366 D C 2.205 178.772 176.300 0.444 0.000 1.001 366 D CA 1.740 56.056 54.000 0.527 0.000 0.844 366 D CB -0.681 40.324 40.800 0.343 0.000 0.944 366 D HN 0.492 nan 8.370 nan 0.000 0.447 367 A N 0.106 123.157 122.820 0.385 0.000 2.015 367 A HA -0.140 4.181 4.320 0.002 0.000 0.219 367 A C 2.017 179.794 177.584 0.323 0.000 1.163 367 A CA 0.648 52.882 52.037 0.329 0.000 0.646 367 A CB -0.864 18.315 19.000 0.298 0.000 0.806 367 A HN 0.202 nan 8.150 nan 0.000 0.448 368 F N 0.288 120.310 119.950 0.120 0.000 2.115 368 F HA -0.243 4.285 4.527 0.001 0.000 0.300 368 F C 1.700 177.147 175.800 -0.588 0.000 1.092 368 F CA 1.818 59.541 58.000 -0.461 0.000 1.245 368 F CB -0.521 38.150 39.000 -0.548 0.000 0.995 368 F HN 0.271 nan 8.300 nan 0.000 0.481 369 F N -0.717 119.190 119.950 -0.072 0.000 2.262 369 F HA 0.197 4.725 4.527 0.001 0.000 0.292 369 F C 2.436 178.194 175.800 -0.070 0.000 1.081 369 F CA 0.876 58.776 58.000 -0.167 0.000 1.355 369 F CB -1.308 37.636 39.000 -0.094 0.000 1.069 369 F HN -0.034 nan 8.300 nan 0.000 0.506 370 A N -1.713 121.226 122.820 0.197 0.000 1.997 370 A HA 0.043 4.364 4.320 0.002 0.000 0.212 370 A C 0.175 177.814 177.584 0.091 0.000 1.178 370 A CA 1.061 53.181 52.037 0.139 0.000 0.698 370 A CB -0.020 19.071 19.000 0.151 0.000 0.842 370 A HN 0.219 nan 8.150 nan 0.000 0.458 371 D N -1.171 119.288 120.400 0.098 0.000 2.323 371 D HA 0.217 4.858 4.640 0.002 0.000 0.242 371 D C 0.272 176.637 176.300 0.107 0.000 1.347 371 D CA -0.332 53.721 54.000 0.088 0.000 0.988 371 D CB 0.889 41.746 40.800 0.095 0.000 1.314 371 D HN -0.045 nan 8.370 nan 0.000 0.564 372 Q N 1.512 121.354 119.800 0.070 0.000 2.079 372 Q HA -0.105 4.236 4.340 0.002 0.000 0.200 372 Q C 1.206 177.291 176.000 0.141 0.000 0.974 372 Q CA 1.170 57.028 55.803 0.091 0.000 0.840 372 Q CB 0.237 28.997 28.738 0.035 0.000 0.898 372 Q HN 0.545 nan 8.270 nan 0.000 0.430 373 E N 0.788 121.043 120.200 0.091 0.000 2.077 373 E HA -0.187 4.164 4.350 0.002 0.000 0.193 373 E C 1.917 178.561 176.600 0.073 0.000 0.989 373 E CA 1.193 57.637 56.400 0.074 0.000 0.800 373 E CB -0.116 29.610 29.700 0.043 0.000 0.746 373 E HN 0.423 nan 8.360 nan 0.000 0.452 374 E N 0.142 120.389 120.200 0.079 0.000 2.110 374 E HA -0.162 4.189 4.350 0.002 0.000 0.193 374 E C 1.894 178.540 176.600 0.077 0.000 0.988 374 E CA 0.792 57.228 56.400 0.059 0.000 0.804 374 E CB -0.466 29.273 29.700 0.065 0.000 0.745 374 E HN 0.242 nan 8.360 nan 0.000 0.458 375 F N 1.302 121.264 119.950 0.021 0.000 2.102 375 F HA -0.130 4.398 4.527 0.001 0.000 0.298 375 F C 2.217 178.033 175.800 0.026 0.000 1.105 375 F CA 2.112 60.129 58.000 0.029 0.000 1.239 375 F CB -0.286 38.750 39.000 0.059 0.000 0.991 375 F HN 0.116 nan 8.300 nan 0.000 0.474 376 E N 0.111 120.413 120.200 0.170 0.000 2.097 376 E HA -0.298 4.053 4.350 0.002 0.000 0.196 376 E C 2.473 179.050 176.600 -0.037 0.000 1.000 376 E CA 1.486 57.938 56.400 0.088 0.000 0.804 376 E CB -0.215 29.552 29.700 0.111 0.000 0.740 376 E HN 0.424 nan 8.360 nan 0.000 0.454 377 R N 0.172 120.628 120.500 -0.073 0.000 2.064 377 R HA -0.121 4.220 4.340 0.002 0.000 0.228 377 R C 2.540 178.678 176.300 -0.270 0.000 1.144 377 R CA 1.471 57.491 56.100 -0.133 0.000 0.932 377 R CB -0.425 29.811 30.300 -0.108 0.000 0.833 377 R HN 0.206 nan 8.270 nan 0.000 0.429 378 L N -0.067 120.939 121.223 -0.362 0.000 2.051 378 L HA -0.263 4.078 4.340 0.002 0.000 0.214 378 L C 2.537 178.963 176.870 -0.741 0.000 1.076 378 L CA 1.627 56.053 54.840 -0.691 0.000 0.758 378 L CB -0.696 41.057 42.059 -0.509 0.000 0.890 378 L HN 0.335 nan 8.230 nan 0.000 0.433 379 Y N 1.146 121.051 120.300 -0.658 0.000 2.145 379 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 379 Y C 2.945 178.684 175.900 -0.268 0.000 1.145 379 Y CA 2.134 59.896 58.100 -0.563 0.000 1.148 379 Y CB -0.440 37.531 38.460 -0.815 0.000 0.981 379 Y HN 0.297 nan 8.280 nan 0.000 0.507 380 T N -1.810 112.619 114.554 -0.209 0.000 2.857 380 T HA -0.121 4.230 4.350 0.002 0.000 0.266 380 T C 1.988 176.561 174.700 -0.211 0.000 1.048 380 T CA 1.204 63.198 62.100 -0.176 0.000 1.139 380 T CB -0.393 68.432 68.868 -0.070 0.000 0.874 380 T HN 0.218 nan 8.240 nan 0.000 0.455 381 K N 0.171 120.396 120.400 -0.291 0.000 2.015 381 K HA -0.199 4.122 4.320 0.002 0.000 0.216 381 K C 2.090 178.548 176.600 -0.237 0.000 1.052 381 K CA 1.785 57.885 56.287 -0.312 0.000 0.937 381 K CB -0.400 31.814 32.500 -0.476 0.000 0.719 381 K HN 0.372 nan 8.250 nan 0.000 0.446 382 Y N 1.278 121.411 120.300 -0.277 0.000 2.274 382 Y HA -0.122 4.429 4.550 0.002 0.000 0.290 382 Y C 2.141 177.946 175.900 -0.157 0.000 1.145 382 Y CA 1.059 58.960 58.100 -0.332 0.000 1.203 382 Y CB -0.407 37.639 38.460 -0.690 0.000 0.984 382 Y HN 0.286 nan 8.280 nan 0.000 0.533 383 E N -0.460 119.736 120.200 -0.008 0.000 2.152 383 E HA -0.167 4.184 4.350 0.002 0.000 0.192 383 E C 1.985 178.573 176.600 -0.020 0.000 0.983 383 E CA 0.868 57.258 56.400 -0.017 0.000 0.818 383 E CB 0.059 29.653 29.700 -0.177 0.000 0.758 383 E HN 0.130 nan 8.360 nan 0.000 0.467 384 K N 1.141 121.517 120.400 -0.040 0.000 2.007 384 K HA -0.043 4.278 4.320 0.002 0.000 0.206 384 K C 0.507 177.099 176.600 -0.014 0.000 1.047 384 K CA 0.491 56.759 56.287 -0.033 0.000 0.937 384 K CB -0.437 32.034 32.500 -0.048 0.000 0.718 384 K HN 0.002 nan 8.250 nan 0.000 0.438 385 D N 1.314 121.712 120.400 -0.003 0.000 2.571 385 D HA -0.107 4.534 4.640 0.002 0.000 0.231 385 D C -0.171 176.139 176.300 0.016 0.000 1.133 385 D CA 0.628 54.635 54.000 0.012 0.000 0.862 385 D CB 0.590 41.414 40.800 0.040 0.000 1.179 385 D HN 0.300 nan 8.370 nan 0.000 0.474 386 D N -0.266 120.137 120.400 0.004 0.000 2.556 386 D HA -0.050 4.591 4.640 0.002 0.000 0.237 386 D C 1.021 177.319 176.300 -0.003 0.000 1.296 386 D CA -0.112 53.890 54.000 0.003 0.000 0.807 386 D CB -0.566 40.232 40.800 -0.003 0.000 1.084 386 D HN 0.204 nan 8.370 nan 0.000 0.510 387 S N -0.074 115.621 115.700 -0.009 0.000 2.527 387 S HA 0.125 4.596 4.470 0.002 0.000 0.222 387 S C 0.935 175.520 174.600 -0.026 0.000 0.985 387 S CA -0.260 57.930 58.200 -0.016 0.000 0.921 387 S CB -0.379 62.809 63.200 -0.019 0.000 0.772 387 S HN 0.246 nan 8.310 nan 0.000 0.529 388 I N 2.574 123.128 120.570 -0.026 0.000 2.371 388 I HA 0.255 4.426 4.170 0.002 0.000 0.290 388 I C 0.767 176.893 176.117 0.015 0.000 1.028 388 I CA -0.637 60.636 61.300 -0.045 0.000 1.345 388 I CB 0.801 38.729 38.000 -0.119 0.000 1.407 388 I HN 0.117 nan 8.210 nan 0.000 0.501 389 R N 7.605 128.109 120.500 0.006 0.000 2.484 389 R HA 0.130 4.471 4.340 0.002 0.000 0.293 389 R C -0.448 175.910 176.300 0.096 0.000 1.023 389 R CA 0.473 56.590 56.100 0.028 0.000 1.037 389 R CB 0.401 30.702 30.300 0.002 0.000 0.951 389 R HN 0.758 nan 8.270 nan 0.000 0.418 390 K N 2.149 122.569 120.400 0.034 0.000 2.556 390 K HA 0.338 4.659 4.320 0.002 0.000 0.289 390 K C -1.533 175.001 176.600 -0.111 0.000 1.040 390 K CA -1.087 55.163 56.287 -0.062 0.000 0.894 390 K CB 1.678 34.118 32.500 -0.099 0.000 1.547 390 K HN 0.389 nan 8.250 nan 0.000 0.417 391 Q N 0.743 120.426 119.800 -0.195 0.000 2.386 391 Q HA 0.284 4.625 4.340 0.002 0.000 0.274 391 Q C -1.494 174.414 176.000 -0.153 0.000 1.011 391 Q CA -0.770 54.956 55.803 -0.130 0.000 0.867 391 Q CB 2.439 31.125 28.738 -0.086 0.000 1.409 391 Q HN 0.669 nan 8.270 nan 0.000 0.395 392 R N 0.739 121.179 120.500 -0.099 0.000 2.474 392 R HA 0.723 5.064 4.340 0.002 0.000 0.295 392 R C 0.036 176.314 176.300 -0.037 0.000 0.980 392 R CA -0.681 55.375 56.100 -0.074 0.000 0.934 392 R CB 1.319 31.586 30.300 -0.055 0.000 1.101 392 R HN 0.435 nan 8.270 nan 0.000 0.469 393 V N -1.625 118.282 119.914 -0.012 0.000 2.971 393 V HA 0.436 4.557 4.120 0.002 0.000 0.309 393 V C -0.376 175.738 176.094 0.033 0.000 1.130 393 V CA -1.486 60.819 62.300 0.009 0.000 0.964 393 V CB 2.308 34.138 31.823 0.011 0.000 1.029 393 V HN 0.437 nan 8.190 nan 0.000 0.427 394 K N 2.369 122.791 120.400 0.036 0.000 2.395 394 K HA 0.317 4.638 4.320 0.002 0.000 0.283 394 K C 1.446 178.100 176.600 0.091 0.000 1.068 394 K CA 0.778 57.096 56.287 0.052 0.000 1.039 394 K CB 0.875 33.398 32.500 0.040 0.000 0.924 394 K HN 1.075 nan 8.250 nan 0.000 0.468 395 A N 4.347 127.239 122.820 0.121 0.000 1.927 395 A HA -0.211 4.110 4.320 0.002 0.000 0.220 395 A C 2.113 179.856 177.584 0.266 0.000 1.185 395 A CA 2.103 54.279 52.037 0.232 0.000 0.639 395 A CB -0.498 18.618 19.000 0.193 0.000 0.820 395 A HN 0.509 nan 8.150 nan 0.000 0.451 396 V N -0.315 119.671 119.914 0.120 0.000 2.317 396 V HA -0.350 3.771 4.120 0.002 0.000 0.251 396 V C 2.385 178.553 176.094 0.122 0.000 1.065 396 V CA 2.625 64.979 62.300 0.089 0.000 1.049 396 V CB -0.849 31.000 31.823 0.042 0.000 0.651 396 V HN 0.696 nan 8.190 nan 0.000 0.450 397 E N -0.872 119.389 120.200 0.102 0.000 2.190 397 E HA -0.069 4.282 4.350 0.002 0.000 0.191 397 E C 2.025 178.669 176.600 0.073 0.000 0.978 397 E CA 0.479 56.922 56.400 0.072 0.000 0.839 397 E CB -0.090 29.635 29.700 0.041 0.000 0.787 397 E HN 0.383 nan 8.360 nan 0.000 0.473 398 L N 0.154 121.430 121.223 0.087 0.000 1.994 398 L HA -0.127 4.214 4.340 0.002 0.000 0.208 398 L C 1.809 178.674 176.870 -0.008 0.000 1.071 398 L CA 1.713 56.563 54.840 0.017 0.000 0.745 398 L CB -0.471 41.581 42.059 -0.012 0.000 0.892 398 L HN 0.075 nan 8.230 nan 0.000 0.431 399 F N -0.922 119.025 119.950 -0.005 0.000 2.171 399 F HA -0.199 4.329 4.527 0.001 0.000 0.300 399 F C 2.615 178.417 175.800 0.004 0.000 1.090 399 F CA 1.516 59.514 58.000 -0.002 0.000 1.293 399 F CB -0.637 38.362 39.000 -0.001 0.000 1.013 399 F HN 0.031 nan 8.300 nan 0.000 0.486 400 S N 0.317 116.125 115.700 0.181 0.000 2.353 400 S HA -0.210 4.261 4.470 0.002 0.000 0.222 400 S C 1.992 176.619 174.600 0.045 0.000 1.035 400 S CA 1.444 59.700 58.200 0.092 0.000 1.025 400 S CB -0.648 62.589 63.200 0.062 0.000 0.902 400 S HN 0.303 nan 8.310 nan 0.000 0.440 401 L N 1.626 122.864 121.223 0.025 0.000 2.046 401 L HA 0.013 4.354 4.340 0.002 0.000 0.208 401 L C 2.253 179.113 176.870 -0.017 0.000 1.077 401 L CA 1.823 56.660 54.840 -0.005 0.000 0.747 401 L CB -0.569 41.480 42.059 -0.016 0.000 0.896 401 L HN 0.368 nan 8.230 nan 0.000 0.432 402 M N -1.514 118.070 119.600 -0.026 0.000 2.108 402 M HA -0.251 4.230 4.480 0.002 0.000 0.261 402 M C 1.948 178.249 176.300 0.002 0.000 1.066 402 M CA 1.898 57.178 55.300 -0.033 0.000 1.107 402 M CB -0.047 32.499 32.600 -0.089 0.000 1.356 402 M HN 0.312 nan 8.290 nan 0.000 0.406 403 M N -0.028 119.593 119.600 0.035 0.000 2.296 403 M HA -0.164 4.317 4.480 0.002 0.000 0.265 403 M C 2.119 178.420 176.300 0.003 0.000 1.064 403 M CA 1.520 56.846 55.300 0.043 0.000 1.109 403 M CB -1.467 31.177 32.600 0.073 0.000 1.396 403 M HN 0.542 nan 8.290 nan 0.000 0.430 404 Q N 0.196 119.992 119.800 -0.007 0.000 2.137 404 Q HA -0.140 4.201 4.340 0.002 0.000 0.198 404 Q C 1.518 177.503 176.000 -0.025 0.000 0.960 404 Q CA 1.003 56.791 55.803 -0.025 0.000 0.847 404 Q CB 0.243 28.967 28.738 -0.023 0.000 0.915 404 Q HN 0.347 nan 8.270 nan 0.000 0.448 405 E N 1.081 121.267 120.200 -0.024 0.000 2.047 405 E HA -0.192 4.159 4.350 0.002 0.000 0.191 405 E C 2.008 178.596 176.600 -0.020 0.000 0.987 405 E CA 1.016 57.398 56.400 -0.030 0.000 0.799 405 E CB -0.363 29.310 29.700 -0.045 0.000 0.752 405 E HN 0.380 nan 8.360 nan 0.000 0.449 406 R N 0.995 121.491 120.500 -0.008 0.000 2.112 406 R HA -0.219 4.122 4.340 0.002 0.000 0.242 406 R C 2.260 178.578 176.300 0.030 0.000 1.137 406 R CA 2.022 58.133 56.100 0.018 0.000 0.944 406 R CB -0.356 29.979 30.300 0.058 0.000 0.857 406 R HN 0.145 nan 8.270 nan 0.000 0.435 407 A N 0.560 123.385 122.820 0.007 0.000 1.859 407 A HA -0.256 4.065 4.320 0.002 0.000 0.217 407 A C 2.320 179.906 177.584 0.002 0.000 1.198 407 A CA 2.561 54.592 52.037 -0.010 0.000 0.629 407 A CB -1.095 17.865 19.000 -0.067 0.000 0.830 407 A HN 0.702 nan 8.150 nan 0.000 0.446 408 S N -0.580 115.113 115.700 -0.010 0.000 2.356 408 S HA -0.176 4.295 4.470 0.002 0.000 0.223 408 S C 1.970 176.574 174.600 0.007 0.000 1.032 408 S CA 2.168 60.364 58.200 -0.006 0.000 1.005 408 S CB -1.346 61.844 63.200 -0.016 0.000 0.867 408 S HN 0.890 nan 8.310 nan 0.000 0.449 409 T N -2.733 111.823 114.554 0.003 0.000 3.054 409 T HA 0.423 4.774 4.350 0.002 0.000 0.259 409 T C 1.836 176.553 174.700 0.030 0.000 1.092 409 T CA 1.001 63.105 62.100 0.006 0.000 1.121 409 T CB -0.678 68.181 68.868 -0.015 0.000 0.912 409 T HN 1.292 nan 8.240 nan 0.000 0.489 410 G N 1.964 110.793 108.800 0.048 0.000 2.189 410 G HA2 -0.262 3.699 3.960 0.002 0.000 0.267 410 G HA3 -0.262 3.699 3.960 0.002 0.000 0.267 410 G C 0.801 175.760 174.900 0.099 0.000 0.975 410 G CA 0.325 45.486 45.100 0.101 0.000 0.644 410 G HN 0.553 nan 8.290 nan 0.000 0.537 411 R N -0.482 119.989 120.500 -0.048 0.000 2.616 411 R HA 0.359 4.700 4.340 0.002 0.000 0.427 411 R C 0.211 176.151 176.300 -0.601 0.000 1.030 411 R CA -0.383 55.528 56.100 -0.315 0.000 1.133 411 R CB 0.230 30.441 30.300 -0.148 0.000 1.444 411 R HN 0.380 nan 8.270 nan 0.000 0.578 412 I N 2.476 122.847 120.570 -0.332 0.000 2.306 412 I HA 0.242 4.413 4.170 0.002 0.000 0.288 412 I C -0.038 175.989 176.117 -0.151 0.000 1.036 412 I CA -1.109 60.041 61.300 -0.250 0.000 1.221 412 I CB -0.174 37.777 38.000 -0.082 0.000 1.385 412 I HN -0.066 nan 8.210 nan 0.000 0.472 413 Y N 6.481 126.800 120.300 0.032 0.000 2.408 413 Y HA 0.592 5.143 4.550 0.002 0.000 0.324 413 Y C 0.440 176.380 175.900 0.066 0.000 1.302 413 Y CA -1.209 56.925 58.100 0.055 0.000 1.384 413 Y CB 0.752 39.240 38.460 0.047 0.000 1.367 413 Y HN 0.302 nan 8.280 nan 0.000 0.525 414 I N 0.381 121.138 120.570 0.311 0.000 2.730 414 I HA 0.359 4.530 4.170 0.002 0.000 0.298 414 I C -0.908 175.365 176.117 0.259 0.000 1.089 414 I CA -0.715 60.728 61.300 0.239 0.000 1.041 414 I CB 2.281 40.426 38.000 0.241 0.000 1.235 414 I HN 0.486 nan 8.210 nan 0.000 0.423 415 Q N 4.600 124.539 119.800 0.232 0.000 2.292 415 Q HA 0.418 4.759 4.340 0.002 0.000 0.270 415 Q C -1.520 174.579 176.000 0.165 0.000 1.024 415 Q CA -0.782 55.142 55.803 0.203 0.000 0.768 415 Q CB 1.398 30.250 28.738 0.190 0.000 1.250 415 Q HN 0.527 nan 8.270 nan 0.000 0.447 416 N N 4.258 123.080 118.700 0.204 0.000 2.508 416 N HA 0.027 4.768 4.740 0.002 0.000 0.253 416 N C 1.085 176.620 175.510 0.041 0.000 1.145 416 N CA 0.130 53.298 53.050 0.196 0.000 0.973 416 N CB 1.353 40.070 38.487 0.384 0.000 1.305 416 N HN 0.584 nan 8.380 nan 0.000 0.506 417 V N -0.213 119.625 119.914 -0.127 0.000 2.548 417 V HA -0.192 3.929 4.120 0.002 0.000 0.249 417 V C 1.599 177.595 176.094 -0.164 0.000 1.055 417 V CA 1.495 63.684 62.300 -0.186 0.000 1.065 417 V CB -0.364 31.169 31.823 -0.484 0.000 0.681 417 V HN 0.377 nan 8.190 nan 0.000 0.462 418 D N 0.070 120.327 120.400 -0.237 0.000 2.097 418 D HA -0.259 4.382 4.640 0.002 0.000 0.195 418 D C 1.948 178.223 176.300 -0.040 0.000 0.989 418 D CA 2.107 56.009 54.000 -0.163 0.000 0.827 418 D CB -1.019 39.674 40.800 -0.179 0.000 0.966 418 D HN 0.543 nan 8.370 nan 0.000 0.456 419 H N -0.242 118.840 119.070 0.019 0.000 2.489 419 H HA 0.031 4.588 4.556 0.002 0.000 0.293 419 H C 2.029 177.377 175.328 0.033 0.000 1.066 419 H CA 0.673 56.722 56.048 0.000 0.000 1.305 419 H CB -0.622 29.117 29.762 -0.038 0.000 1.386 419 H HN 0.312 nan 8.280 nan 0.000 0.551 420 C N 0.413 119.788 119.300 0.125 0.000 2.481 420 C HA 0.048 4.509 4.460 0.002 0.000 0.275 420 C C 2.035 177.074 174.990 0.081 0.000 1.419 420 C CA 0.252 59.324 59.018 0.091 0.000 1.773 420 C CB -0.305 27.477 27.740 0.069 0.000 1.862 420 C HN 0.585 nan 8.230 nan 0.000 0.530 421 N N -0.260 118.485 118.700 0.075 0.000 2.257 421 N HA -0.026 4.715 4.740 0.002 0.000 0.200 421 N C 1.657 177.203 175.510 0.060 0.000 1.163 421 N CA 1.109 54.202 53.050 0.071 0.000 0.891 421 N CB 0.016 38.548 38.487 0.074 0.000 1.067 421 N HN 0.635 nan 8.380 nan 0.000 0.497 422 T N -2.478 112.120 114.554 0.072 0.000 3.065 422 T HA 0.019 4.370 4.350 0.002 0.000 0.252 422 T C 0.328 175.095 174.700 0.111 0.000 1.099 422 T CA 0.692 62.832 62.100 0.067 0.000 1.063 422 T CB -0.084 68.819 68.868 0.059 0.000 0.948 422 T HN 0.070 nan 8.240 nan 0.000 0.506 423 H N 0.655 119.717 119.070 -0.013 0.000 2.761 423 H HA 0.650 5.207 4.556 0.002 0.000 0.263 423 H C -1.242 174.055 175.328 -0.050 0.000 1.292 423 H CA -0.703 55.316 56.048 -0.048 0.000 1.540 423 H CB 0.660 30.388 29.762 -0.056 0.000 1.569 423 H HN 0.233 nan 8.280 nan 0.000 0.510 424 S N 4.105 119.646 115.700 -0.265 0.000 2.578 424 S HA 0.249 4.720 4.470 0.002 0.000 0.285 424 S C -2.583 171.829 174.600 -0.314 0.000 1.126 424 S CA -0.971 57.090 58.200 -0.232 0.000 0.878 424 S CB 1.179 64.347 63.200 -0.053 0.000 1.091 424 S HN 0.320 nan 8.310 nan 0.000 0.450 425 P HA 0.213 nan 4.420 nan 0.000 0.233 425 P C -0.465 176.476 177.300 -0.598 0.000 1.167 425 P CA 0.622 63.374 63.100 -0.580 0.000 0.770 425 P CB -0.142 31.226 31.700 -0.554 0.000 0.837 426 F N 0.058 119.988 119.950 -0.034 0.000 2.421 426 F HA 0.270 4.798 4.527 0.002 0.000 0.337 426 F C 0.954 176.731 175.800 -0.039 0.000 1.105 426 F CA -1.860 56.127 58.000 -0.022 0.000 1.049 426 F CB 0.273 39.273 39.000 -0.000 0.000 1.139 426 F HN -0.304 nan 8.300 nan 0.000 0.479 427 D N 5.264 125.753 120.400 0.148 0.000 2.412 427 D HA 0.051 4.692 4.640 0.002 0.000 0.257 427 D C -1.505 174.850 176.300 0.092 0.000 1.217 427 D CA -1.714 52.330 54.000 0.074 0.000 0.897 427 D CB 1.215 42.038 40.800 0.038 0.000 1.132 427 D HN 0.171 nan 8.370 nan 0.000 0.493 428 P HA -0.069 nan 4.420 nan 0.000 0.223 428 P C 0.797 178.133 177.300 0.061 0.000 1.151 428 P CA 0.596 63.743 63.100 0.078 0.000 0.787 428 P CB 0.220 31.966 31.700 0.078 0.000 0.788 429 A N -0.449 122.399 122.820 0.046 0.000 2.067 429 A HA 0.003 4.324 4.320 0.002 0.000 0.217 429 A C 2.067 179.662 177.584 0.018 0.000 1.156 429 A CA 0.926 52.986 52.037 0.038 0.000 0.683 429 A CB -1.021 17.997 19.000 0.030 0.000 0.808 429 A HN 0.222 nan 8.150 nan 0.000 0.455 430 I N -2.944 117.630 120.570 0.007 0.000 3.616 430 I HA 0.311 4.482 4.170 0.002 0.000 0.296 430 I C 1.066 177.151 176.117 -0.053 0.000 1.226 430 I CA 0.714 61.997 61.300 -0.027 0.000 1.394 430 I CB 0.402 38.378 38.000 -0.039 0.000 1.171 430 I HN 0.156 nan 8.210 nan 0.000 0.442 431 A N 2.932 125.733 122.820 -0.031 0.000 3.266 431 A HA 0.505 4.826 4.320 0.002 0.000 0.310 431 A C -2.716 174.825 177.584 -0.071 0.000 1.066 431 A CA -1.080 50.896 52.037 -0.102 0.000 0.839 431 A CB -0.294 18.603 19.000 -0.172 0.000 1.192 431 A HN -0.087 nan 8.150 nan 0.000 0.496 432 P HA 0.166 nan 4.420 nan 0.000 0.269 432 P C -0.138 177.120 177.300 -0.071 0.000 1.215 432 P CA 0.205 63.301 63.100 -0.007 0.000 0.780 432 P CB 1.249 32.953 31.700 0.005 0.000 0.898 433 V N 5.002 124.908 119.914 -0.013 0.000 2.348 433 V HA 0.210 4.331 4.120 0.002 0.000 0.270 433 V C 1.573 177.582 176.094 -0.142 0.000 1.037 433 V CA -0.089 62.180 62.300 -0.052 0.000 0.872 433 V CB 0.369 32.227 31.823 0.058 0.000 1.002 433 V HN 0.511 nan 8.190 nan 0.000 0.464 434 R N 4.103 124.414 120.500 -0.315 0.000 2.472 434 R HA 0.262 4.603 4.340 0.002 0.000 0.279 434 R C 0.228 176.304 176.300 -0.373 0.000 0.953 434 R CA -0.061 55.665 56.100 -0.624 0.000 1.088 434 R CB 0.624 30.303 30.300 -1.035 0.000 1.197 434 R HN 0.881 nan 8.270 nan 0.000 0.536 435 Q N -1.828 117.770 119.800 -0.336 0.000 2.804 435 Q HA 0.425 4.766 4.340 0.002 0.000 0.302 435 Q C -1.317 174.321 176.000 -0.603 0.000 0.885 435 Q CA -0.782 54.662 55.803 -0.599 0.000 0.759 435 Q CB 1.409 29.837 28.738 -0.517 0.000 1.465 435 Q HN -0.094 nan 8.270 nan 0.000 0.432 436 S N -0.342 114.735 115.700 -1.037 0.000 2.855 436 S HA 0.608 5.079 4.470 0.002 0.000 0.308 436 S C -0.966 173.554 174.600 -0.134 0.000 1.077 436 S CA -0.172 57.781 58.200 -0.411 0.000 0.896 436 S CB 0.994 64.101 63.200 -0.154 0.000 1.339 436 S HN 0.815 nan 8.310 nan 0.000 0.602 437 N N 0.331 119.092 118.700 0.102 0.000 2.938 437 N HA 0.221 4.962 4.740 0.002 0.000 0.335 437 N C 0.999 176.656 175.510 0.244 0.000 1.358 437 N CA -0.602 52.543 53.050 0.158 0.000 0.812 437 N CB -0.669 37.858 38.487 0.067 0.000 1.233 437 N HN 0.475 nan 8.380 nan 0.000 0.593 438 L N 0.304 121.611 121.223 0.140 0.000 1.990 438 L HA -0.079 4.262 4.340 0.002 0.000 0.213 438 L C 1.583 178.498 176.870 0.075 0.000 1.072 438 L CA 1.928 56.833 54.840 0.108 0.000 0.755 438 L CB -0.656 41.443 42.059 0.067 0.000 0.889 438 L HN 0.712 nan 8.230 nan 0.000 0.432 439 C N 0.206 119.526 119.300 0.033 0.000 2.614 439 C HA 0.345 4.806 4.460 0.002 0.000 0.299 439 C C 1.037 175.986 174.990 -0.067 0.000 1.293 439 C CA -0.762 58.227 59.018 -0.048 0.000 1.713 439 C CB -1.148 26.587 27.740 -0.008 0.000 1.890 439 C HN 0.590 nan 8.230 nan 0.000 0.602 440 L N 1.693 122.923 121.223 0.012 0.000 4.232 440 L HA -0.180 4.161 4.340 0.002 0.000 0.415 440 L C 1.764 178.656 176.870 0.036 0.000 1.168 440 L CA 1.668 56.537 54.840 0.048 0.000 0.966 440 L CB -1.749 40.283 42.059 -0.044 0.000 2.052 440 L HN 0.655 nan 8.230 nan 0.000 0.887 441 E N -0.928 119.292 120.200 0.033 0.000 2.434 441 E HA 0.086 4.437 4.350 0.002 0.000 0.207 441 E C 0.826 177.447 176.600 0.036 0.000 0.929 441 E CA -0.060 56.359 56.400 0.032 0.000 1.001 441 E CB 0.625 30.343 29.700 0.030 0.000 1.016 441 E HN 0.401 nan 8.360 nan 0.000 0.502 442 I N 2.265 122.856 120.570 0.035 0.000 2.396 442 I HA 0.465 4.636 4.170 0.002 0.000 0.292 442 I C -0.144 175.983 176.117 0.017 0.000 0.999 442 I CA -0.812 60.509 61.300 0.034 0.000 1.310 442 I CB 1.130 39.148 38.000 0.030 0.000 1.404 442 I HN 0.118 nan 8.210 nan 0.000 0.496 443 A N 8.213 131.057 122.820 0.041 0.000 2.569 443 A HA 0.765 5.086 4.320 0.002 0.000 0.282 443 A C -0.952 176.706 177.584 0.124 0.000 1.165 443 A CA -0.401 51.658 52.037 0.037 0.000 0.747 443 A CB 0.750 19.772 19.000 0.037 0.000 1.215 443 A HN 0.615 nan 8.150 nan 0.000 0.431 444 L N 1.813 123.068 121.223 0.054 0.000 2.359 444 L HA 0.607 4.948 4.340 0.002 0.000 0.256 444 L C -2.678 174.092 176.870 -0.166 0.000 1.026 444 L CA -2.539 52.316 54.840 0.024 0.000 0.828 444 L CB 2.944 45.020 42.059 0.028 0.000 1.406 444 L HN 0.348 nan 8.230 nan 0.000 0.413 445 P HA 0.288 nan 4.420 nan 0.000 0.279 445 P C -1.127 176.063 177.300 -0.184 0.000 1.239 445 P CA -0.266 62.637 63.100 -0.328 0.000 0.789 445 P CB 1.086 32.488 31.700 -0.496 0.000 0.933 446 T N -0.524 113.944 114.554 -0.143 0.000 2.903 446 T HA 0.696 5.047 4.350 0.002 0.000 0.299 446 T C -0.856 173.801 174.700 -0.071 0.000 1.093 446 T CA -1.063 60.985 62.100 -0.086 0.000 1.002 446 T CB 1.828 70.644 68.868 -0.086 0.000 1.127 446 T HN 0.175 nan 8.240 nan 0.000 0.488 447 K N 1.463 121.841 120.400 -0.037 0.000 2.422 447 K HA 0.593 4.914 4.320 0.002 0.000 0.251 447 K C -2.974 173.622 176.600 -0.008 0.000 0.933 447 K CA -2.300 53.970 56.287 -0.029 0.000 0.798 447 K CB 2.191 34.673 32.500 -0.029 0.000 1.238 447 K HN 0.328 nan 8.250 nan 0.000 0.428 448 P HA 0.001 nan 4.420 nan 0.000 0.271 448 P C -1.031 176.284 177.300 0.026 0.000 1.233 448 P CA -0.240 62.868 63.100 0.014 0.000 0.795 448 P CB 0.427 32.136 31.700 0.015 0.000 0.936 449 L N 1.909 123.157 121.223 0.041 0.000 2.381 449 L HA 0.379 4.720 4.340 0.002 0.000 0.268 449 L C 1.208 178.112 176.870 0.057 0.000 0.997 449 L CA -0.037 54.832 54.840 0.048 0.000 0.818 449 L CB 1.364 43.456 42.059 0.055 0.000 1.310 449 L HN 0.149 nan 8.230 nan 0.000 0.416 450 N N 0.746 119.477 118.700 0.051 0.000 2.376 450 N HA 0.013 4.754 4.740 0.002 0.000 0.177 450 N C -0.603 174.941 175.510 0.057 0.000 1.024 450 N CA 0.540 53.622 53.050 0.053 0.000 0.893 450 N CB 0.234 38.746 38.487 0.042 0.000 0.980 450 N HN 0.747 nan 8.380 nan 0.000 0.439 451 D N -2.705 117.728 120.400 0.055 0.000 2.706 451 D HA 0.078 4.719 4.640 0.002 0.000 0.227 451 D C 0.903 177.234 176.300 0.052 0.000 1.233 451 D CA -0.449 53.582 54.000 0.052 0.000 0.768 451 D CB 1.100 41.925 40.800 0.042 0.000 1.490 451 D HN -0.207 nan 8.370 nan 0.000 0.458 452 V N 1.347 121.292 119.914 0.051 0.000 2.439 452 V HA -0.166 3.955 4.120 0.002 0.000 0.253 452 V C 1.301 177.420 176.094 0.042 0.000 1.074 452 V CA 1.565 63.894 62.300 0.048 0.000 1.076 452 V CB -0.674 31.170 31.823 0.035 0.000 0.664 452 V HN 0.608 nan 8.190 nan 0.000 0.461 453 N N -0.213 118.509 118.700 0.037 0.000 2.270 453 N HA 0.053 4.794 4.740 0.002 0.000 0.198 453 N C 0.421 175.952 175.510 0.036 0.000 1.117 453 N CA 0.082 53.151 53.050 0.033 0.000 0.845 453 N CB -0.118 38.384 38.487 0.025 0.000 0.980 453 N HN 0.513 nan 8.380 nan 0.000 0.486 454 D N 2.095 122.519 120.400 0.040 0.000 2.479 454 D HA -0.087 4.554 4.640 0.002 0.000 0.257 454 D C 1.022 177.347 176.300 0.042 0.000 1.230 454 D CA 0.452 54.475 54.000 0.039 0.000 0.912 454 D CB 0.651 41.475 40.800 0.041 0.000 1.130 454 D HN 0.033 nan 8.370 nan 0.000 0.515 455 E N 2.872 123.096 120.200 0.039 0.000 2.418 455 E HA -0.109 4.242 4.350 0.002 0.000 0.197 455 E C 0.543 177.175 176.600 0.054 0.000 1.026 455 E CA 0.536 56.963 56.400 0.045 0.000 0.862 455 E CB 0.008 29.732 29.700 0.039 0.000 0.799 455 E HN 0.585 nan 8.360 nan 0.000 0.518 456 N N -0.190 118.535 118.700 0.042 0.000 2.230 456 N HA 0.087 4.828 4.740 0.002 0.000 0.202 456 N C 0.495 176.022 175.510 0.029 0.000 1.119 456 N CA -0.112 52.958 53.050 0.033 0.000 0.851 456 N CB 1.015 39.511 38.487 0.015 0.000 0.990 456 N HN -0.034 nan 8.380 nan 0.000 0.497 457 G N 0.207 109.033 108.800 0.042 0.000 2.528 457 G HA2 0.307 4.268 3.960 0.002 0.000 0.289 457 G HA3 0.307 4.268 3.960 0.002 0.000 0.289 457 G C -0.858 174.078 174.900 0.059 0.000 1.192 457 G CA -0.259 44.864 45.100 0.039 0.000 0.921 457 G HN 0.096 nan 8.290 nan 0.000 0.512 458 E N -0.063 120.167 120.200 0.049 0.000 2.241 458 E HA 0.424 4.775 4.350 0.002 0.000 0.263 458 E C -0.965 175.658 176.600 0.040 0.000 0.882 458 E CA -0.528 55.916 56.400 0.073 0.000 0.769 458 E CB 1.627 31.382 29.700 0.093 0.000 1.185 458 E HN 0.312 nan 8.360 nan 0.000 0.415 459 I N 2.777 123.375 120.570 0.046 0.000 2.412 459 I HA 0.463 4.634 4.170 0.002 0.000 0.296 459 I C -0.163 175.959 176.117 0.007 0.000 0.987 459 I CA -0.625 60.689 61.300 0.024 0.000 1.180 459 I CB 1.797 39.831 38.000 0.057 0.000 1.340 459 I HN 0.541 nan 8.210 nan 0.000 0.455 460 A N 7.708 130.514 122.820 -0.023 0.000 2.292 460 A HA 0.816 5.137 4.320 0.002 0.000 0.319 460 A C -0.763 176.798 177.584 -0.037 0.000 1.206 460 A CA -0.400 51.622 52.037 -0.025 0.000 0.835 460 A CB 0.531 19.509 19.000 -0.037 0.000 1.164 460 A HN 0.656 nan 8.150 nan 0.000 0.505 461 L N 1.247 122.465 121.223 -0.009 0.000 2.323 461 L HA 0.731 5.072 4.340 0.002 0.000 0.265 461 L C -0.409 176.477 176.870 0.027 0.000 1.012 461 L CA -0.730 54.109 54.840 -0.003 0.000 0.820 461 L CB 2.131 44.227 42.059 0.061 0.000 1.334 461 L HN 0.777 nan 8.230 nan 0.000 0.427 462 C N 0.289 119.606 119.300 0.027 0.000 2.888 462 C HA 0.757 5.218 4.460 0.002 0.000 0.308 462 C C -0.342 174.673 174.990 0.042 0.000 1.213 462 C CA -0.087 58.956 59.018 0.043 0.000 1.461 462 C CB 2.072 29.838 27.740 0.043 0.000 1.934 462 C HN 0.863 nan 8.230 nan 0.000 0.474 463 T N 5.369 119.948 114.554 0.042 0.000 2.823 463 T HA 0.594 4.945 4.350 0.002 0.000 0.279 463 T C -0.625 174.086 174.700 0.020 0.000 0.998 463 T CA -0.276 61.844 62.100 0.033 0.000 0.994 463 T CB 0.962 69.848 68.868 0.029 0.000 0.960 463 T HN 0.573 nan 8.240 nan 0.000 0.448 464 L N 1.821 123.055 121.223 0.018 0.000 2.334 464 L HA 0.869 5.210 4.340 0.002 0.000 0.270 464 L C 0.271 177.135 176.870 -0.009 0.000 1.018 464 L CA -0.699 54.146 54.840 0.009 0.000 0.811 464 L CB 1.889 43.962 42.059 0.024 0.000 1.271 464 L HN 0.643 nan 8.230 nan 0.000 0.443 465 S N -0.333 115.343 115.700 -0.040 0.000 2.656 465 S HA 0.818 5.289 4.470 0.002 0.000 0.265 465 S C -1.750 172.765 174.600 -0.143 0.000 1.132 465 S CA -0.247 57.904 58.200 -0.081 0.000 0.819 465 S CB 1.906 65.034 63.200 -0.121 0.000 1.119 465 S HN 0.860 nan 8.310 nan 0.000 0.476 466 A N 0.556 123.255 122.820 -0.202 0.000 2.612 466 A HA 0.798 5.119 4.320 0.002 0.000 0.293 466 A C -2.118 175.297 177.584 -0.282 0.000 1.075 466 A CA -0.614 51.294 52.037 -0.215 0.000 0.680 466 A CB 0.638 19.625 19.000 -0.021 0.000 1.279 466 A HN 0.487 nan 8.150 nan 0.000 0.411 467 F N 1.695 121.657 119.950 0.020 0.000 2.411 467 F HA 0.341 4.869 4.527 0.002 0.000 0.350 467 F C 1.024 176.831 175.800 0.012 0.000 1.114 467 F CA -0.735 57.263 58.000 -0.005 0.000 1.135 467 F CB 1.036 40.007 39.000 -0.048 0.000 1.120 467 F HN 0.577 nan 8.300 nan 0.000 0.495 468 N N 4.454 123.284 118.700 0.217 0.000 2.434 468 N HA 0.017 4.758 4.740 0.002 0.000 0.273 468 N C 0.953 176.549 175.510 0.144 0.000 1.210 468 N CA 0.333 53.485 53.050 0.171 0.000 0.992 468 N CB 0.225 38.810 38.487 0.163 0.000 1.355 468 N HN 0.746 nan 8.380 nan 0.000 0.495 469 L N 1.752 123.039 121.223 0.105 0.000 2.349 469 L HA -0.089 4.252 4.340 0.002 0.000 0.220 469 L C 2.003 178.963 176.870 0.150 0.000 1.130 469 L CA 1.150 55.973 54.840 -0.028 0.000 0.791 469 L CB -0.134 41.785 42.059 -0.233 0.000 0.918 469 L HN 0.537 nan 8.230 nan 0.000 0.444 470 G N -1.165 107.806 108.800 0.286 0.000 2.683 470 G HA2 0.048 4.009 3.960 0.002 0.000 0.213 470 G HA3 0.048 4.009 3.960 0.002 0.000 0.213 470 G C 1.461 176.544 174.900 0.305 0.000 1.142 470 G CA 0.529 45.887 45.100 0.430 0.000 0.793 470 G HN 0.400 nan 8.290 nan 0.000 0.534 471 A N 0.326 123.270 122.820 0.207 0.000 2.251 471 A HA 0.530 4.851 4.320 0.002 0.000 0.209 471 A C 0.902 178.539 177.584 0.089 0.000 1.187 471 A CA -0.153 51.974 52.037 0.150 0.000 0.823 471 A CB -0.462 18.629 19.000 0.151 0.000 0.846 471 A HN 0.592 nan 8.150 nan 0.000 0.486 472 I N -4.277 116.345 120.570 0.086 0.000 2.441 472 I HA 0.432 4.603 4.170 0.002 0.000 0.295 472 I C 0.056 176.209 176.117 0.060 0.000 0.994 472 I CA -0.962 60.360 61.300 0.037 0.000 1.144 472 I CB 1.451 39.444 38.000 -0.012 0.000 1.314 472 I HN -0.087 nan 8.210 nan 0.000 0.445 473 N N 4.106 122.821 118.700 0.025 0.000 2.446 473 N HA -0.013 4.728 4.740 0.002 0.000 0.179 473 N C -0.447 175.085 175.510 0.036 0.000 1.054 473 N CA 0.426 53.491 53.050 0.026 0.000 0.905 473 N CB -0.237 38.246 38.487 -0.006 0.000 0.973 473 N HN 0.899 nan 8.380 nan 0.000 0.448 474 N N -1.591 117.122 118.700 0.021 0.000 2.745 474 N HA 0.179 4.920 4.740 0.002 0.000 0.256 474 N C 0.045 175.554 175.510 -0.001 0.000 1.268 474 N CA -0.658 52.407 53.050 0.025 0.000 0.887 474 N CB 0.935 39.427 38.487 0.009 0.000 1.575 474 N HN -0.296 nan 8.380 nan 0.000 0.496 475 L N -0.241 120.993 121.223 0.018 0.000 2.261 475 L HA -0.122 4.219 4.340 0.002 0.000 0.216 475 L C 0.739 177.634 176.870 0.040 0.000 1.114 475 L CA 1.091 55.938 54.840 0.011 0.000 0.777 475 L CB -0.448 41.642 42.059 0.052 0.000 0.910 475 L HN 0.697 nan 8.230 nan 0.000 0.440 476 D N -0.014 120.410 120.400 0.040 0.000 2.317 476 D HA -0.120 4.521 4.640 0.002 0.000 0.211 476 D C 1.830 178.011 176.300 -0.198 0.000 0.966 476 D CA 0.592 54.585 54.000 -0.012 0.000 0.876 476 D CB 0.086 40.908 40.800 0.037 0.000 0.927 476 D HN 0.459 nan 8.370 nan 0.000 0.519 477 E N 0.383 120.488 120.200 -0.157 0.000 2.265 477 E HA -0.102 4.249 4.350 0.002 0.000 0.196 477 E C 1.978 178.403 176.600 -0.291 0.000 0.996 477 E CA 0.257 56.544 56.400 -0.188 0.000 0.832 477 E CB 0.030 29.652 29.700 -0.130 0.000 0.756 477 E HN 0.323 nan 8.360 nan 0.000 0.491 478 L N 0.664 121.667 121.223 -0.368 0.000 2.376 478 L HA -0.123 4.218 4.340 0.002 0.000 0.219 478 L C 2.450 178.938 176.870 -0.636 0.000 1.133 478 L CA 0.629 55.157 54.840 -0.522 0.000 0.816 478 L CB -0.158 41.613 42.059 -0.480 0.000 0.933 478 L HN 0.151 nan 8.230 nan 0.000 0.449 479 E N 0.533 120.163 120.200 -0.949 0.000 2.072 479 E HA -0.238 4.113 4.350 0.002 0.000 0.191 479 E C 1.778 178.139 176.600 -0.398 0.000 0.985 479 E CA 1.398 57.200 56.400 -0.996 0.000 0.801 479 E CB 0.278 29.289 29.700 -1.148 0.000 0.750 479 E HN 0.495 nan 8.360 nan 0.000 0.452 480 E N 0.590 120.616 120.200 -0.290 0.000 2.122 480 E HA -0.068 4.283 4.350 0.002 0.000 0.190 480 E C 2.146 178.715 176.600 -0.050 0.000 0.977 480 E CA 0.537 56.856 56.400 -0.135 0.000 0.820 480 E CB -0.179 29.447 29.700 -0.123 0.000 0.770 480 E HN 0.253 nan 8.360 nan 0.000 0.462 481 L N 0.657 121.830 121.223 -0.084 0.000 2.079 481 L HA -0.210 4.131 4.340 0.002 0.000 0.210 481 L C 2.408 179.442 176.870 0.273 0.000 1.081 481 L CA 1.255 56.146 54.840 0.084 0.000 0.752 481 L CB -0.585 41.494 42.059 0.034 0.000 0.896 481 L HN 0.191 nan 8.230 nan 0.000 0.433 482 A N 0.192 123.083 122.820 0.118 0.000 1.898 482 A HA -0.146 4.175 4.320 0.002 0.000 0.216 482 A C 2.210 179.906 177.584 0.186 0.000 1.181 482 A CA 1.297 53.493 52.037 0.267 0.000 0.620 482 A CB -0.551 18.522 19.000 0.122 0.000 0.819 482 A HN 0.320 nan 8.150 nan 0.000 0.442 483 I N -0.799 119.834 120.570 0.106 0.000 2.127 483 I HA -0.255 3.916 4.170 0.002 0.000 0.241 483 I C 2.311 178.551 176.117 0.205 0.000 1.075 483 I CA 0.994 62.371 61.300 0.129 0.000 1.334 483 I CB -0.295 37.772 38.000 0.111 0.000 1.040 483 I HN 0.227 nan 8.210 nan 0.000 0.405 484 L N 0.584 121.954 121.223 0.245 0.000 2.042 484 L HA -0.193 4.148 4.340 0.002 0.000 0.210 484 L C 2.567 179.685 176.870 0.414 0.000 1.076 484 L CA 2.227 57.291 54.840 0.373 0.000 0.749 484 L CB -1.285 40.979 42.059 0.341 0.000 0.893 484 L HN 0.238 nan 8.230 nan 0.000 0.432 485 A N -1.485 121.516 122.820 0.303 0.000 1.855 485 A HA -0.085 4.236 4.320 0.002 0.000 0.213 485 A C 2.313 179.968 177.584 0.118 0.000 1.195 485 A CA 1.524 53.693 52.037 0.221 0.000 0.610 485 A CB -0.853 18.184 19.000 0.062 0.000 0.837 485 A HN 0.179 nan 8.150 nan 0.000 0.444 486 V N 0.177 120.152 119.914 0.100 0.000 2.343 486 V HA -0.282 3.839 4.120 0.002 0.000 0.247 486 V C 2.639 178.734 176.094 0.001 0.000 1.051 486 V CA 2.324 64.649 62.300 0.041 0.000 1.036 486 V CB -0.902 30.950 31.823 0.048 0.000 0.654 486 V HN 0.498 nan 8.190 nan 0.000 0.451 487 R N 0.039 120.558 120.500 0.032 0.000 2.073 487 R HA -0.134 4.207 4.340 0.002 0.000 0.234 487 R C 2.491 178.629 176.300 -0.269 0.000 1.134 487 R CA 1.580 57.656 56.100 -0.040 0.000 0.952 487 R CB -0.701 29.626 30.300 0.046 0.000 0.850 487 R HN 0.539 nan 8.270 nan 0.000 0.433 488 A N 1.153 123.794 122.820 -0.297 0.000 1.865 488 A HA -0.179 4.142 4.320 0.002 0.000 0.217 488 A C 2.178 179.514 177.584 -0.412 0.000 1.191 488 A CA 1.340 52.984 52.037 -0.654 0.000 0.623 488 A CB -0.704 18.011 19.000 -0.475 0.000 0.826 488 A HN 0.208 nan 8.150 nan 0.000 0.444 489 L N -0.993 120.118 121.223 -0.186 0.000 2.046 489 L HA -0.207 4.134 4.340 0.002 0.000 0.208 489 L C 2.441 179.238 176.870 -0.121 0.000 1.077 489 L CA 2.033 56.800 54.840 -0.122 0.000 0.747 489 L CB -0.682 41.347 42.059 -0.051 0.000 0.896 489 L HN 0.498 nan 8.230 nan 0.000 0.432 490 D N -0.170 120.161 120.400 -0.116 0.000 2.117 490 D HA -0.174 4.467 4.640 0.002 0.000 0.197 490 D C 2.169 178.403 176.300 -0.110 0.000 0.987 490 D CA 1.327 55.275 54.000 -0.086 0.000 0.829 490 D CB 0.163 40.923 40.800 -0.067 0.000 0.961 490 D HN 0.263 nan 8.370 nan 0.000 0.460 491 A N 0.094 122.794 122.820 -0.200 0.000 1.908 491 A HA -0.146 4.175 4.320 0.002 0.000 0.218 491 A C 2.167 179.653 177.584 -0.162 0.000 1.181 491 A CA 1.408 53.316 52.037 -0.214 0.000 0.627 491 A CB -0.974 17.788 19.000 -0.396 0.000 0.818 491 A HN 0.407 nan 8.150 nan 0.000 0.445 492 L N -0.010 121.093 121.223 -0.199 0.000 2.131 492 L HA -0.126 4.215 4.340 0.002 0.000 0.210 492 L C 2.174 179.061 176.870 0.030 0.000 1.092 492 L CA 1.555 56.328 54.840 -0.111 0.000 0.759 492 L CB -0.410 41.539 42.059 -0.184 0.000 0.903 492 L HN 0.430 nan 8.230 nan 0.000 0.435 493 L N -0.677 120.563 121.223 0.028 0.000 2.189 493 L HA -0.240 4.101 4.340 0.002 0.000 0.214 493 L C 1.920 178.895 176.870 0.175 0.000 1.097 493 L CA 1.327 56.237 54.840 0.117 0.000 0.764 493 L CB -0.892 41.215 42.059 0.079 0.000 0.900 493 L HN 0.358 nan 8.230 nan 0.000 0.436 494 D N -1.486 118.981 120.400 0.112 0.000 2.240 494 D HA -0.131 4.510 4.640 0.002 0.000 0.206 494 D C 1.914 178.306 176.300 0.154 0.000 0.963 494 D CA 0.769 54.841 54.000 0.121 0.000 0.863 494 D CB 0.065 40.899 40.800 0.057 0.000 0.973 494 D HN 0.293 nan 8.370 nan 0.000 0.501 495 Y N 2.193 122.482 120.300 -0.018 0.000 2.314 495 Y HA -0.061 4.490 4.550 0.002 0.000 0.293 495 Y C 1.337 177.252 175.900 0.024 0.000 1.129 495 Y CA 0.604 58.687 58.100 -0.029 0.000 1.201 495 Y CB 0.102 38.511 38.460 -0.084 0.000 0.999 495 Y HN -0.038 nan 8.280 nan 0.000 0.541 496 Q N 0.410 120.255 119.800 0.075 0.000 2.316 496 Q HA 0.207 4.548 4.340 0.002 0.000 0.215 496 Q C -0.912 174.917 176.000 -0.284 0.000 1.020 496 Q CA -0.696 55.107 55.803 0.000 0.000 0.970 496 Q CB 0.732 29.503 28.738 0.054 0.000 1.187 496 Q HN 0.087 nan 8.270 nan 0.000 0.546 497 D N -0.465 119.719 120.400 -0.360 0.000 2.326 497 D HA 0.339 4.980 4.640 0.002 0.000 0.251 497 D C -1.354 174.553 176.300 -0.655 0.000 1.023 497 D CA -0.256 53.508 54.000 -0.392 0.000 0.966 497 D CB 0.854 41.522 40.800 -0.221 0.000 1.156 497 D HN 0.429 nan 8.370 nan 0.000 0.494 498 Y N 0.296 120.600 120.300 0.007 0.000 2.426 498 Y HA 0.272 4.823 4.550 0.002 0.000 0.325 498 Y C -1.516 174.363 175.900 -0.035 0.000 0.989 498 Y CA -1.564 56.554 58.100 0.030 0.000 1.284 498 Y CB 1.671 40.157 38.460 0.044 0.000 1.104 498 Y HN 0.181 nan 8.280 nan 0.000 0.481 499 P HA 0.017 nan 4.420 nan 0.000 0.226 499 P C -0.278 176.968 177.300 -0.091 0.000 1.153 499 P CA 1.237 64.244 63.100 -0.155 0.000 0.777 499 P CB 0.780 32.211 31.700 -0.449 0.000 0.794 500 I N -0.911 119.674 120.570 0.024 0.000 2.512 500 I HA 0.194 4.365 4.170 0.002 0.000 0.287 500 I C -1.935 174.242 176.117 0.100 0.000 1.069 500 I CA -2.488 58.850 61.300 0.063 0.000 1.056 500 I CB 2.177 40.248 38.000 0.119 0.000 1.229 500 I HN -0.313 nan 8.210 nan 0.000 0.429 501 P HA -0.254 nan 4.420 nan 0.000 0.218 501 P C 1.545 178.869 177.300 0.040 0.000 1.165 501 P CA 2.280 65.406 63.100 0.042 0.000 0.922 501 P CB 0.380 32.102 31.700 0.037 0.000 0.794 502 A N -0.927 121.932 122.820 0.065 0.000 2.070 502 A HA -0.077 4.244 4.320 0.002 0.000 0.220 502 A C 2.249 179.871 177.584 0.063 0.000 1.159 502 A CA 1.924 54.002 52.037 0.069 0.000 0.656 502 A CB -1.405 17.639 19.000 0.074 0.000 0.800 502 A HN 0.234 nan 8.150 nan 0.000 0.453 503 A N -0.136 122.745 122.820 0.101 0.000 1.897 503 A HA -0.062 4.259 4.320 0.002 0.000 0.215 503 A C 2.070 179.625 177.584 -0.049 0.000 1.181 503 A CA 1.789 53.897 52.037 0.118 0.000 0.620 503 A CB -0.368 18.831 19.000 0.331 0.000 0.821 503 A HN 0.528 nan 8.150 nan 0.000 0.443 504 K N -0.278 120.014 120.400 -0.180 0.000 2.002 504 K HA -0.157 4.164 4.320 0.002 0.000 0.209 504 K C 2.289 178.661 176.600 -0.380 0.000 1.048 504 K CA 1.322 57.261 56.287 -0.581 0.000 0.930 504 K CB -0.217 32.029 32.500 -0.424 0.000 0.714 504 K HN 0.333 nan 8.250 nan 0.000 0.438 505 R N -0.311 120.081 120.500 -0.181 0.000 2.133 505 R HA -0.196 4.145 4.340 0.002 0.000 0.245 505 R C 2.415 178.545 176.300 -0.283 0.000 1.137 505 R CA 1.924 57.948 56.100 -0.125 0.000 0.947 505 R CB -1.110 29.263 30.300 0.122 0.000 0.865 505 R HN 0.500 nan 8.270 nan 0.000 0.437 506 G N 0.293 109.018 108.800 -0.126 0.000 2.446 506 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 506 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 506 G C 1.574 176.337 174.900 -0.228 0.000 1.168 506 G CA 1.032 46.062 45.100 -0.117 0.000 0.771 506 G HN 0.475 nan 8.290 nan 0.000 0.551 507 A N 0.421 123.104 122.820 -0.228 0.000 1.872 507 A HA 0.105 4.426 4.320 0.002 0.000 0.214 507 A C 2.439 179.872 177.584 -0.251 0.000 1.187 507 A CA 1.942 53.870 52.037 -0.182 0.000 0.614 507 A CB -0.309 18.634 19.000 -0.095 0.000 0.826 507 A HN 0.275 nan 8.150 nan 0.000 0.442 508 M N -0.133 119.249 119.600 -0.364 0.000 2.175 508 M HA -0.062 4.419 4.480 0.002 0.000 0.264 508 M C 2.253 178.261 176.300 -0.487 0.000 1.063 508 M CA 1.311 56.407 55.300 -0.340 0.000 1.119 508 M CB -1.989 30.424 32.600 -0.312 0.000 1.377 508 M HN 0.455 nan 8.290 nan 0.000 0.415 509 G N 1.110 109.417 108.800 -0.822 0.000 2.480 509 G HA2 -0.206 3.755 3.960 0.002 0.000 0.216 509 G HA3 -0.206 3.755 3.960 0.002 0.000 0.216 509 G C 1.769 176.231 174.900 -0.730 0.000 1.200 509 G CA 0.580 44.752 45.100 -1.547 0.000 0.782 509 G HN 0.486 nan 8.290 nan 0.000 0.554 510 R N -0.729 119.566 120.500 -0.342 0.000 2.335 510 R HA 0.254 4.595 4.340 0.002 0.000 0.210 510 R C 0.445 176.769 176.300 0.040 0.000 0.892 510 R CA -0.246 55.863 56.100 0.015 0.000 1.048 510 R CB 0.372 30.772 30.300 0.166 0.000 1.067 510 R HN 0.177 nan 8.270 nan 0.000 0.524 511 R N 2.105 122.578 120.500 -0.044 0.000 3.225 511 R HA -0.117 4.224 4.340 0.002 0.000 0.245 511 R C -0.626 175.698 176.300 0.040 0.000 0.928 511 R CA 1.092 57.185 56.100 -0.011 0.000 0.632 511 R CB -2.092 28.194 30.300 -0.023 0.000 1.038 511 R HN 0.370 nan 8.270 nan 0.000 0.461 512 T N -1.085 113.509 114.554 0.067 0.000 2.780 512 T HA 0.597 4.948 4.350 0.002 0.000 0.294 512 T C 0.709 175.452 174.700 0.072 0.000 0.949 512 T CA -0.801 61.361 62.100 0.103 0.000 1.074 512 T CB 1.541 70.500 68.868 0.152 0.000 0.910 512 T HN 0.201 nan 8.240 nan 0.000 0.501 513 L N 2.086 123.346 121.223 0.061 0.000 2.313 513 L HA 0.821 5.162 4.340 0.002 0.000 0.268 513 L C 0.680 177.578 176.870 0.046 0.000 1.010 513 L CA -1.319 53.546 54.840 0.041 0.000 0.814 513 L CB 1.987 44.059 42.059 0.022 0.000 1.304 513 L HN 0.923 nan 8.230 nan 0.000 0.441 514 G N 1.975 110.793 108.800 0.030 0.000 3.405 514 G HA2 0.595 4.556 3.960 0.002 0.000 0.318 514 G HA3 0.595 4.556 3.960 0.002 0.000 0.318 514 G C -0.864 174.038 174.900 0.003 0.000 1.597 514 G CA -0.159 44.959 45.100 0.031 0.000 1.022 514 G HN 0.347 nan 8.290 nan 0.000 0.506 515 I N 2.357 122.925 120.570 -0.005 0.000 2.339 515 I HA 0.583 4.754 4.170 0.002 0.000 0.290 515 I C 0.982 177.093 176.117 -0.011 0.000 0.994 515 I CA -0.478 60.774 61.300 -0.081 0.000 1.191 515 I CB 1.931 39.827 38.000 -0.173 0.000 1.343 515 I HN 0.416 nan 8.210 nan 0.000 0.458 516 G N 5.161 113.949 108.800 -0.021 0.000 3.122 516 G HA2 0.787 4.748 3.960 0.002 0.000 0.180 516 G HA3 0.787 4.748 3.960 0.002 0.000 0.180 516 G C -0.694 174.264 174.900 0.097 0.000 1.279 516 G CA -0.422 44.723 45.100 0.074 0.000 0.987 516 G HN 0.530 nan 8.290 nan 0.000 0.589 517 V N -1.696 118.302 119.914 0.139 0.000 3.007 517 V HA 0.858 4.979 4.120 0.002 0.000 0.311 517 V C -0.513 175.681 176.094 0.167 0.000 1.120 517 V CA -1.023 61.373 62.300 0.161 0.000 0.980 517 V CB 1.454 33.382 31.823 0.174 0.000 1.033 517 V HN 1.129 nan 8.190 nan 0.000 0.429 518 I N -0.579 120.098 120.570 0.178 0.000 3.042 518 I HA 0.743 4.914 4.170 0.002 0.000 0.310 518 I C 0.257 176.520 176.117 0.243 0.000 1.117 518 I CA -0.748 60.669 61.300 0.195 0.000 1.003 518 I CB 2.238 40.326 38.000 0.147 0.000 1.228 518 I HN 0.712 nan 8.210 nan 0.000 0.443 519 N N 1.111 119.977 118.700 0.277 0.000 2.747 519 N HA -0.258 4.483 4.740 0.002 0.000 0.249 519 N C 0.136 175.910 175.510 0.440 0.000 1.107 519 N CA 1.071 54.333 53.050 0.352 0.000 0.707 519 N CB -1.104 37.592 38.487 0.348 0.000 1.054 519 N HN 0.859 nan 8.380 nan 0.000 0.555 520 F N 0.877 121.001 119.950 0.290 0.000 2.075 520 F HA -0.034 4.494 4.527 0.001 0.000 0.297 520 F C 2.196 178.227 175.800 0.386 0.000 1.113 520 F CA 2.093 60.273 58.000 0.299 0.000 1.218 520 F CB -0.660 38.515 39.000 0.292 0.000 0.984 520 F HN 0.203 nan 8.300 nan 0.000 0.472 521 A N -0.494 122.589 122.820 0.440 0.000 1.917 521 A HA -0.310 4.011 4.320 0.002 0.000 0.219 521 A C 2.174 179.978 177.584 0.366 0.000 1.182 521 A CA 2.038 54.351 52.037 0.460 0.000 0.633 521 A CB -1.764 17.591 19.000 0.593 0.000 0.819 521 A HN 0.639 nan 8.150 nan 0.000 0.448 522 Y N -1.329 119.149 120.300 0.297 0.000 2.163 522 Y HA -0.218 4.333 4.550 0.002 0.000 0.288 522 Y C 2.202 178.133 175.900 0.050 0.000 1.136 522 Y CA 1.614 59.825 58.100 0.185 0.000 1.147 522 Y CB -0.898 37.731 38.460 0.283 0.000 0.987 522 Y HN 0.436 nan 8.280 nan 0.000 0.509 523 Y N 0.300 120.553 120.300 -0.077 0.000 2.165 523 Y HA -0.272 4.279 4.550 0.001 0.000 0.286 523 Y C 2.123 177.901 175.900 -0.203 0.000 1.155 523 Y CA 2.030 60.027 58.100 -0.172 0.000 1.164 523 Y CB -0.541 37.900 38.460 -0.032 0.000 0.978 523 Y HN 0.159 nan 8.280 nan 0.000 0.513 524 L N -0.227 120.828 121.223 -0.280 0.000 1.989 524 L HA -0.282 4.059 4.340 0.002 0.000 0.211 524 L C 2.853 179.550 176.870 -0.289 0.000 1.071 524 L CA 1.397 56.014 54.840 -0.373 0.000 0.749 524 L CB -1.367 40.413 42.059 -0.465 0.000 0.890 524 L HN 0.383 nan 8.230 nan 0.000 0.431 525 A N 1.146 123.798 122.820 -0.281 0.000 1.892 525 A HA -0.272 4.049 4.320 0.002 0.000 0.218 525 A C 2.300 179.647 177.584 -0.395 0.000 1.188 525 A CA 2.426 54.245 52.037 -0.364 0.000 0.631 525 A CB -0.581 18.024 19.000 -0.658 0.000 0.822 525 A HN 0.570 nan 8.150 nan 0.000 0.447 526 K N -1.343 118.753 120.400 -0.506 0.000 2.418 526 K HA -0.064 4.257 4.320 0.002 0.000 0.195 526 K C 0.881 177.126 176.600 -0.592 0.000 1.035 526 K CA 1.286 57.250 56.287 -0.538 0.000 1.003 526 K CB -0.306 31.808 32.500 -0.644 0.000 0.793 526 K HN 0.579 nan 8.250 nan 0.000 0.494 527 H N 0.446 119.245 119.070 -0.453 0.000 2.539 527 H HA 0.223 4.780 4.556 0.002 0.000 0.269 527 H C 0.441 175.603 175.328 -0.278 0.000 0.980 527 H CA 0.538 56.361 56.048 -0.375 0.000 1.152 527 H CB 0.766 30.251 29.762 -0.462 0.000 1.407 527 H HN 0.493 nan 8.280 nan 0.000 0.564 528 G N 1.718 110.398 108.800 -0.199 0.000 2.350 528 G HA2 -0.273 3.688 3.960 0.002 0.000 0.298 528 G HA3 -0.273 3.688 3.960 0.002 0.000 0.298 528 G C -0.289 174.544 174.900 -0.110 0.000 1.037 528 G CA 0.034 45.043 45.100 -0.152 0.000 1.074 528 G HN 0.222 nan 8.290 nan 0.000 0.511 529 K N -0.435 119.892 120.400 -0.121 0.000 2.352 529 K HA 0.700 5.021 4.320 0.002 0.000 0.240 529 K C 0.660 177.226 176.600 -0.057 0.000 1.017 529 K CA -0.839 55.396 56.287 -0.087 0.000 0.851 529 K CB 1.642 34.077 32.500 -0.109 0.000 1.261 529 K HN 0.482 nan 8.250 nan 0.000 0.451 530 R N -0.305 120.194 120.500 -0.002 0.000 2.923 530 R HA 0.390 4.731 4.340 0.002 0.000 0.252 530 R C 0.651 177.030 176.300 0.132 0.000 1.130 530 R CA -0.815 55.342 56.100 0.095 0.000 1.043 530 R CB 0.082 30.447 30.300 0.109 0.000 1.205 530 R HN 0.447 nan 8.270 nan 0.000 0.495 531 Y N 0.418 120.766 120.300 0.079 0.000 2.365 531 Y HA -0.115 4.436 4.550 0.002 0.000 0.293 531 Y C 2.527 178.496 175.900 0.114 0.000 1.119 531 Y CA 1.825 60.007 58.100 0.136 0.000 1.203 531 Y CB 0.233 38.804 38.460 0.186 0.000 1.026 531 Y HN 0.661 nan 8.280 nan 0.000 0.549 532 S N -1.211 114.633 115.700 0.241 0.000 2.503 532 S HA -0.036 4.435 4.470 0.002 0.000 0.217 532 S C 0.927 175.593 174.600 0.111 0.000 0.999 532 S CA 0.574 58.875 58.200 0.167 0.000 0.914 532 S CB -0.129 63.146 63.200 0.125 0.000 0.782 532 S HN 0.482 nan 8.310 nan 0.000 0.520 533 D N 0.154 120.606 120.400 0.087 0.000 2.462 533 D HA 0.300 4.941 4.640 0.002 0.000 0.221 533 D C 1.307 177.628 176.300 0.035 0.000 1.173 533 D CA 0.260 54.293 54.000 0.055 0.000 0.831 533 D CB -0.402 40.424 40.800 0.044 0.000 1.001 533 D HN 0.445 nan 8.370 nan 0.000 0.499 534 G N 1.049 109.869 108.800 0.033 0.000 2.196 534 G HA2 -0.410 3.551 3.960 0.002 0.000 0.268 534 G HA3 -0.410 3.551 3.960 0.002 0.000 0.268 534 G C 1.237 176.136 174.900 -0.002 0.000 0.975 534 G CA 1.058 46.161 45.100 0.005 0.000 0.648 534 G HN 0.709 nan 8.290 nan 0.000 0.538 535 S N -0.799 114.903 115.700 0.003 0.000 2.469 535 S HA 0.359 4.830 4.470 0.002 0.000 0.238 535 S C 2.158 176.745 174.600 -0.023 0.000 0.998 535 S CA 1.297 59.490 58.200 -0.011 0.000 0.957 535 S CB -0.022 63.170 63.200 -0.012 0.000 0.764 535 S HN 1.703 nan 8.310 nan 0.000 0.514 536 A N 0.990 123.799 122.820 -0.017 0.000 2.348 536 A HA 0.341 4.662 4.320 0.002 0.000 0.224 536 A C 1.704 179.308 177.584 0.033 0.000 1.227 536 A CA 0.070 52.097 52.037 -0.016 0.000 0.885 536 A CB -0.345 18.625 19.000 -0.050 0.000 0.933 536 A HN 0.453 nan 8.150 nan 0.000 0.506 537 N N 1.752 120.460 118.700 0.013 0.000 2.018 537 N HA -0.178 4.563 4.740 0.002 0.000 0.196 537 N C 1.331 176.877 175.510 0.061 0.000 1.043 537 N CA 1.923 54.982 53.050 0.016 0.000 0.856 537 N CB -0.327 38.140 38.487 -0.033 0.000 1.042 537 N HN 0.442 nan 8.380 nan 0.000 0.423 538 N N 0.220 118.940 118.700 0.034 0.000 2.188 538 N HA -0.080 4.661 4.740 0.002 0.000 0.184 538 N C 1.651 177.225 175.510 0.106 0.000 1.018 538 N CA 0.354 53.433 53.050 0.048 0.000 0.858 538 N CB -0.443 38.044 38.487 -0.001 0.000 0.989 538 N HN 0.186 nan 8.380 nan 0.000 0.426 539 L N 1.146 122.412 121.223 0.072 0.000 2.093 539 L HA -0.013 4.328 4.340 0.002 0.000 0.208 539 L C 1.892 178.879 176.870 0.196 0.000 1.085 539 L CA 1.658 56.537 54.840 0.064 0.000 0.755 539 L CB -1.128 40.905 42.059 -0.043 0.000 0.904 539 L HN 0.034 nan 8.230 nan 0.000 0.435 540 T N -1.167 113.548 114.554 0.269 0.000 2.708 540 T HA -0.217 4.134 4.350 0.002 0.000 0.266 540 T C 1.813 176.758 174.700 0.409 0.000 1.037 540 T CA 1.533 63.888 62.100 0.424 0.000 1.146 540 T CB -0.453 68.615 68.868 0.334 0.000 0.865 540 T HN 0.512 nan 8.240 nan 0.000 0.435 541 H N 1.482 120.674 119.070 0.202 0.000 2.290 541 H HA -0.070 4.487 4.556 0.002 0.000 0.298 541 H C 2.485 177.877 175.328 0.106 0.000 1.087 541 H CA 1.995 58.165 56.048 0.204 0.000 1.291 541 H CB -0.167 29.686 29.762 0.152 0.000 1.369 541 H HN 0.276 nan 8.280 nan 0.000 0.492 542 K N -0.242 120.332 120.400 0.290 0.000 2.103 542 K HA -0.115 4.206 4.320 0.002 0.000 0.207 542 K C 2.038 178.666 176.600 0.046 0.000 1.048 542 K CA 1.769 58.169 56.287 0.188 0.000 0.930 542 K CB 0.050 32.638 32.500 0.146 0.000 0.716 542 K HN 0.255 nan 8.250 nan 0.000 0.444 543 T N 0.211 114.801 114.554 0.060 0.000 2.777 543 T HA -0.069 4.282 4.350 0.002 0.000 0.266 543 T C 1.394 175.884 174.700 -0.349 0.000 1.040 543 T CA 1.268 63.300 62.100 -0.113 0.000 1.141 543 T CB -0.202 68.618 68.868 -0.080 0.000 0.868 543 T HN 0.180 nan 8.240 nan 0.000 0.444 544 F N 1.003 120.817 119.950 -0.227 0.000 2.569 544 F HA 0.220 4.748 4.527 0.002 0.000 0.295 544 F C 2.400 177.752 175.800 -0.748 0.000 1.115 544 F CA 0.137 57.944 58.000 -0.321 0.000 1.450 544 F CB -0.084 38.828 39.000 -0.147 0.000 1.107 544 F HN 0.141 nan 8.300 nan 0.000 0.563 545 E N 0.803 120.380 120.200 -1.038 0.000 2.051 545 E HA -0.242 4.109 4.350 0.002 0.000 0.192 545 E C 2.404 178.872 176.600 -0.220 0.000 0.991 545 E CA 1.206 57.030 56.400 -0.961 0.000 0.799 545 E CB -0.107 29.342 29.700 -0.419 0.000 0.748 545 E HN 0.328 nan 8.360 nan 0.000 0.449 546 A N 1.200 123.925 122.820 -0.158 0.000 1.883 546 A HA -0.193 4.128 4.320 0.002 0.000 0.217 546 A C 2.205 179.669 177.584 -0.201 0.000 1.186 546 A CA 1.500 53.404 52.037 -0.221 0.000 0.624 546 A CB -0.750 18.238 19.000 -0.021 0.000 0.822 546 A HN 0.322 nan 8.150 nan 0.000 0.444 547 I N -0.907 119.554 120.570 -0.182 0.000 2.151 547 I HA -0.318 3.853 4.170 0.002 0.000 0.243 547 I C 2.802 178.937 176.117 0.030 0.000 1.080 547 I CA 1.968 63.208 61.300 -0.100 0.000 1.339 547 I CB -0.191 37.747 38.000 -0.104 0.000 1.039 547 I HN 0.382 nan 8.210 nan 0.000 0.409 548 Q N -0.157 119.689 119.800 0.077 0.000 2.123 548 Q HA -0.222 4.119 4.340 0.002 0.000 0.199 548 Q C 2.015 178.043 176.000 0.047 0.000 0.966 548 Q CA 1.615 57.545 55.803 0.211 0.000 0.845 548 Q CB -0.483 28.556 28.738 0.501 0.000 0.907 548 Q HN 0.558 nan 8.270 nan 0.000 0.439 549 Y N -0.491 119.613 120.300 -0.328 0.000 2.070 549 Y HA -0.297 4.254 4.550 0.002 0.000 0.280 549 Y C 1.566 177.134 175.900 -0.553 0.000 1.148 549 Y CA 2.055 59.670 58.100 -0.809 0.000 1.125 549 Y CB -0.543 37.172 38.460 -1.242 0.000 0.975 549 Y HN 0.166 nan 8.280 nan 0.000 0.492 550 Y N -0.037 120.066 120.300 -0.328 0.000 2.352 550 Y HA -0.181 4.370 4.550 0.002 0.000 0.292 550 Y C 2.368 178.132 175.900 -0.226 0.000 1.136 550 Y CA 1.132 59.044 58.100 -0.314 0.000 1.227 550 Y CB -0.811 37.511 38.460 -0.230 0.000 0.991 550 Y HN 0.192 nan 8.280 nan 0.000 0.545 551 L N -1.057 120.175 121.223 0.015 0.000 2.005 551 L HA -0.233 4.108 4.340 0.002 0.000 0.207 551 L C 2.274 179.110 176.870 -0.058 0.000 1.072 551 L CA 1.195 56.064 54.840 0.049 0.000 0.744 551 L CB -0.702 41.428 42.059 0.118 0.000 0.895 551 L HN 0.191 nan 8.230 nan 0.000 0.433 552 L N -0.481 120.658 121.223 -0.140 0.000 2.083 552 L HA -0.231 4.110 4.340 0.002 0.000 0.209 552 L C 2.754 179.467 176.870 -0.262 0.000 1.083 552 L CA 1.099 55.810 54.840 -0.215 0.000 0.752 552 L CB -0.525 41.403 42.059 -0.218 0.000 0.899 552 L HN 0.250 nan 8.230 nan 0.000 0.433 553 K N 0.322 120.513 120.400 -0.349 0.000 2.057 553 K HA -0.127 4.194 4.320 0.002 0.000 0.206 553 K C 2.094 178.593 176.600 -0.169 0.000 1.050 553 K CA 1.431 57.518 56.287 -0.334 0.000 0.935 553 K CB -0.033 32.214 32.500 -0.421 0.000 0.715 553 K HN 0.272 nan 8.250 nan 0.000 0.439 554 A N 0.331 123.088 122.820 -0.104 0.000 1.873 554 A HA -0.127 4.194 4.320 0.002 0.000 0.215 554 A C 2.334 179.883 177.584 -0.058 0.000 1.186 554 A CA 2.092 54.102 52.037 -0.045 0.000 0.616 554 A CB -0.758 18.248 19.000 0.009 0.000 0.823 554 A HN 0.363 nan 8.150 nan 0.000 0.442 555 S N -0.105 115.548 115.700 -0.078 0.000 2.348 555 S HA -0.229 4.242 4.470 0.002 0.000 0.221 555 S C 2.142 176.671 174.600 -0.118 0.000 1.033 555 S CA 1.571 59.717 58.200 -0.090 0.000 1.010 555 S CB -0.650 62.484 63.200 -0.110 0.000 0.891 555 S HN 0.742 nan 8.310 nan 0.000 0.442 556 N N 0.497 119.109 118.700 -0.147 0.000 2.021 556 N HA -0.236 4.505 4.740 0.002 0.000 0.198 556 N C 1.790 177.226 175.510 -0.124 0.000 1.041 556 N CA 1.938 54.901 53.050 -0.144 0.000 0.862 556 N CB -0.376 38.025 38.487 -0.143 0.000 1.048 556 N HN 0.550 nan 8.380 nan 0.000 0.427 557 E N 0.151 120.285 120.200 -0.111 0.000 2.049 557 E HA -0.227 4.124 4.350 0.002 0.000 0.198 557 E C 2.131 178.679 176.600 -0.087 0.000 1.007 557 E CA 1.311 57.653 56.400 -0.098 0.000 0.809 557 E CB -0.176 29.489 29.700 -0.059 0.000 0.749 557 E HN 0.290 nan 8.360 nan 0.000 0.450 558 L N 0.624 121.808 121.223 -0.065 0.000 2.079 558 L HA -0.181 4.160 4.340 0.002 0.000 0.210 558 L C 2.140 178.961 176.870 -0.081 0.000 1.081 558 L CA 1.944 56.750 54.840 -0.056 0.000 0.752 558 L CB -0.531 41.505 42.059 -0.039 0.000 0.896 558 L HN 0.102 nan 8.230 nan 0.000 0.433 559 A N -0.503 122.255 122.820 -0.104 0.000 1.892 559 A HA -0.309 4.012 4.320 0.002 0.000 0.218 559 A C 2.363 179.889 177.584 -0.097 0.000 1.188 559 A CA 2.289 54.255 52.037 -0.118 0.000 0.631 559 A CB -0.621 18.276 19.000 -0.171 0.000 0.822 559 A HN 0.507 nan 8.150 nan 0.000 0.447 560 K N -0.913 119.417 120.400 -0.117 0.000 2.152 560 K HA -0.187 4.134 4.320 0.002 0.000 0.206 560 K C 2.045 178.585 176.600 -0.101 0.000 1.048 560 K CA 1.608 57.808 56.287 -0.145 0.000 0.933 560 K CB -0.069 32.266 32.500 -0.275 0.000 0.721 560 K HN 0.748 nan 8.250 nan 0.000 0.447 561 E N 0.112 120.258 120.200 -0.091 0.000 2.299 561 E HA -0.099 4.252 4.350 0.002 0.000 0.193 561 E C 1.061 177.612 176.600 -0.081 0.000 0.998 561 E CA 0.714 57.066 56.400 -0.080 0.000 0.851 561 E CB 0.471 30.128 29.700 -0.071 0.000 0.795 561 E HN 0.244 nan 8.360 nan 0.000 0.492 562 Q N -1.221 118.532 119.800 -0.078 0.000 1.907 562 Q HA 0.216 4.557 4.340 0.002 0.000 0.195 562 Q C -0.486 175.475 176.000 -0.065 0.000 0.742 562 Q CA 0.215 55.971 55.803 -0.078 0.000 0.877 562 Q CB 2.231 30.913 28.738 -0.093 0.000 1.216 562 Q HN 0.201 nan 8.270 nan 0.000 0.417 563 G N 1.896 110.658 108.800 -0.063 0.000 3.209 563 G HA2 0.080 4.041 3.960 0.002 0.000 0.686 563 G HA3 0.080 4.041 3.960 0.002 0.000 0.686 563 G C -0.148 174.706 174.900 -0.077 0.000 1.065 563 G CA -0.472 44.594 45.100 -0.056 0.000 0.812 563 G HN 0.390 nan 8.290 nan 0.000 0.573 564 A N 1.807 124.559 122.820 -0.114 0.000 2.583 564 A HA 0.448 4.769 4.320 0.002 0.000 0.231 564 A C 1.766 179.332 177.584 -0.029 0.000 1.065 564 A CA 0.886 52.825 52.037 -0.162 0.000 0.760 564 A CB -0.446 18.362 19.000 -0.319 0.000 1.001 564 A HN 2.538 nan 8.150 nan 0.000 0.509 565 C N 1.121 120.440 119.300 0.032 0.000 2.676 565 C HA 0.403 4.864 4.460 0.002 0.000 0.416 565 C C -0.826 174.227 174.990 0.105 0.000 1.299 565 C CA -1.030 58.014 59.018 0.044 0.000 2.048 565 C CB -0.332 27.440 27.740 0.054 0.000 2.713 565 C HN 0.737 nan 8.230 nan 0.000 0.624 566 P HA -0.173 nan 4.420 nan 0.000 0.219 566 P C 0.774 178.255 177.300 0.302 0.000 1.159 566 P CA 2.211 65.347 63.100 0.061 0.000 0.944 566 P CB -0.129 31.439 31.700 -0.220 0.000 0.792 567 W N -2.173 119.197 121.300 0.116 0.000 3.305 567 W HA 0.318 4.979 4.660 0.001 0.000 0.392 567 W C 1.448 178.053 176.519 0.144 0.000 1.121 567 W CA -1.268 56.140 57.345 0.105 0.000 1.909 567 W CB -1.884 27.612 29.460 0.061 0.000 1.065 567 W HN -0.042 nan 8.180 nan 0.000 0.714 568 F N 3.482 123.581 119.950 0.249 0.000 2.184 568 F HA -0.344 4.184 4.527 0.002 0.000 0.301 568 F C 2.044 177.963 175.800 0.199 0.000 1.076 568 F CA 2.166 60.284 58.000 0.196 0.000 1.295 568 F CB -0.374 38.699 39.000 0.121 0.000 1.026 568 F HN -0.047 nan 8.300 nan 0.000 0.494 569 N N 0.720 119.447 118.700 0.046 0.000 2.609 569 N HA -0.185 4.556 4.740 0.002 0.000 0.190 569 N C 0.747 176.211 175.510 -0.076 0.000 1.157 569 N CA 1.271 54.290 53.050 -0.052 0.000 0.918 569 N CB -0.761 37.779 38.487 0.089 0.000 0.978 569 N HN 0.597 nan 8.380 nan 0.000 0.448 570 E N 0.183 120.369 120.200 -0.023 0.000 2.481 570 E HA 0.013 4.364 4.350 0.002 0.000 0.198 570 E C -0.038 176.601 176.600 0.066 0.000 1.027 570 E CA 0.068 56.490 56.400 0.038 0.000 0.900 570 E CB 0.427 30.182 29.700 0.092 0.000 0.993 570 E HN 0.452 nan 8.360 nan 0.000 0.482 571 T N -0.693 113.799 114.554 -0.104 0.000 2.767 571 T HA 0.095 4.446 4.350 0.002 0.000 0.284 571 T C 1.448 176.046 174.700 -0.170 0.000 0.973 571 T CA -0.366 61.666 62.100 -0.112 0.000 0.996 571 T CB 1.516 70.295 68.868 -0.148 0.000 0.927 571 T HN 0.022 nan 8.240 nan 0.000 0.456 572 T N 0.960 115.419 114.554 -0.158 0.000 2.792 572 T HA -0.308 4.043 4.350 0.002 0.000 0.268 572 T C 1.303 175.902 174.700 -0.168 0.000 1.059 572 T CA 1.389 63.383 62.100 -0.177 0.000 1.136 572 T CB -1.108 67.617 68.868 -0.238 0.000 0.846 572 T HN 0.681 nan 8.240 nan 0.000 0.489 573 Y N 2.276 122.520 120.300 -0.093 0.000 2.097 573 Y HA 0.031 4.582 4.550 0.002 0.000 0.282 573 Y C 3.134 179.068 175.900 0.056 0.000 1.152 573 Y CA 0.811 58.928 58.100 0.028 0.000 1.136 573 Y CB -1.278 37.271 38.460 0.149 0.000 0.975 573 Y HN 0.356 nan 8.280 nan 0.000 0.498 574 A N -0.173 122.598 122.820 -0.081 0.000 1.997 574 A HA -0.258 4.063 4.320 0.002 0.000 0.221 574 A C 1.884 179.522 177.584 0.089 0.000 1.172 574 A CA 2.010 54.029 52.037 -0.031 0.000 0.645 574 A CB -0.601 18.176 19.000 -0.371 0.000 0.813 574 A HN 0.346 nan 8.150 nan 0.000 0.454 575 K N -1.018 119.400 120.400 0.031 0.000 2.504 575 K HA 0.312 4.633 4.320 0.002 0.000 0.199 575 K C 1.008 177.645 176.600 0.061 0.000 1.028 575 K CA 0.640 56.949 56.287 0.037 0.000 1.164 575 K CB -0.362 32.138 32.500 -0.000 0.000 0.877 575 K HN 0.635 nan 8.250 nan 0.000 0.508 576 G N 1.026 109.894 108.800 0.113 0.000 2.180 576 G HA2 -0.303 3.658 3.960 0.002 0.000 0.263 576 G HA3 -0.303 3.658 3.960 0.002 0.000 0.263 576 G C 0.137 175.091 174.900 0.091 0.000 0.989 576 G CA 0.176 45.351 45.100 0.126 0.000 0.692 576 G HN 0.340 nan 8.290 nan 0.000 0.526 577 I N 0.323 120.912 120.570 0.031 0.000 2.474 577 I HA 0.490 4.661 4.170 0.002 0.000 0.287 577 I C 0.837 176.900 176.117 -0.091 0.000 1.048 577 I CA -0.413 60.866 61.300 -0.035 0.000 1.383 577 I CB 0.987 38.935 38.000 -0.087 0.000 1.412 577 I HN -0.015 nan 8.210 nan 0.000 0.531 578 L N 7.139 128.335 121.223 -0.046 0.000 2.333 578 L HA 0.431 4.772 4.340 0.002 0.000 0.263 578 L C -1.586 175.242 176.870 -0.069 0.000 1.014 578 L CA -1.613 53.217 54.840 -0.016 0.000 0.820 578 L CB 2.149 44.308 42.059 0.166 0.000 1.352 578 L HN 0.316 nan 8.230 nan 0.000 0.421 579 P HA -0.190 nan 4.420 nan 0.000 0.216 579 P C 1.479 178.764 177.300 -0.025 0.000 1.153 579 P CA 1.609 64.712 63.100 0.006 0.000 0.858 579 P CB -0.099 31.610 31.700 0.014 0.000 0.789 580 I N -2.833 117.568 120.570 -0.281 0.000 2.800 580 I HA -0.118 4.053 4.170 0.002 0.000 0.266 580 I C 0.873 176.991 176.117 0.001 0.000 1.249 580 I CA 1.637 62.767 61.300 -0.284 0.000 1.458 580 I CB -0.941 36.712 38.000 -0.577 0.000 1.093 580 I HN -0.218 nan 8.210 nan 0.000 0.466 581 D N 0.841 121.232 120.400 -0.015 0.000 2.354 581 D HA 0.006 4.647 4.640 0.002 0.000 0.209 581 D C 1.714 177.963 176.300 -0.086 0.000 1.015 581 D CA 1.408 55.388 54.000 -0.033 0.000 0.867 581 D CB 0.290 41.072 40.800 -0.030 0.000 0.933 581 D HN 0.629 nan 8.370 nan 0.000 0.520 582 T N -2.718 111.806 114.554 -0.051 0.000 3.144 582 T HA 0.098 4.449 4.350 0.002 0.000 0.290 582 T C 0.548 175.034 174.700 -0.357 0.000 0.966 582 T CA -0.675 61.366 62.100 -0.098 0.000 0.907 582 T CB -0.640 68.297 68.868 0.115 0.000 1.152 582 T HN 0.120 nan 8.240 nan 0.000 0.532 583 Y N 1.288 121.239 120.300 -0.581 0.000 2.314 583 Y HA 0.720 5.271 4.550 0.002 0.000 0.334 583 Y C 0.424 176.000 175.900 -0.540 0.000 1.266 583 Y CA -1.913 55.612 58.100 -0.959 0.000 1.391 583 Y CB 0.530 38.560 38.460 -0.717 0.000 1.306 583 Y HN -0.166 nan 8.280 nan 0.000 0.558 584 K N 2.341 122.501 120.400 -0.399 0.000 2.472 584 K HA 0.017 4.338 4.320 0.002 0.000 0.280 584 K C 0.391 176.853 176.600 -0.228 0.000 1.028 584 K CA 0.334 56.423 56.287 -0.330 0.000 1.045 584 K CB 0.553 32.841 32.500 -0.355 0.000 0.902 584 K HN 0.828 nan 8.250 nan 0.000 0.478 585 K N 2.560 122.781 120.400 -0.299 0.000 2.103 585 K HA -0.172 4.149 4.320 0.002 0.000 0.207 585 K C 0.797 177.372 176.600 -0.042 0.000 1.048 585 K CA 2.106 58.242 56.287 -0.251 0.000 0.930 585 K CB -0.029 32.336 32.500 -0.225 0.000 0.716 585 K HN 0.660 nan 8.250 nan 0.000 0.444 586 D N 1.202 121.591 120.400 -0.017 0.000 2.271 586 D HA -0.166 4.475 4.640 0.002 0.000 0.207 586 D C 1.501 177.922 176.300 0.201 0.000 0.983 586 D CA 0.769 54.815 54.000 0.077 0.000 0.878 586 D CB -0.211 40.602 40.800 0.022 0.000 0.920 586 D HN 0.114 nan 8.370 nan 0.000 0.479 587 L N 0.744 122.088 121.223 0.201 0.000 2.263 587 L HA -0.202 4.139 4.340 0.002 0.000 0.216 587 L C 1.386 178.310 176.870 0.090 0.000 1.111 587 L CA 1.064 55.993 54.840 0.148 0.000 0.773 587 L CB -0.356 41.776 42.059 0.121 0.000 0.906 587 L HN 0.109 nan 8.230 nan 0.000 0.439 588 D N -1.053 119.417 120.400 0.116 0.000 2.269 588 D HA -0.130 4.511 4.640 0.002 0.000 0.208 588 D C 2.174 178.488 176.300 0.024 0.000 0.963 588 D CA 1.720 55.754 54.000 0.056 0.000 0.864 588 D CB -0.121 40.716 40.800 0.063 0.000 0.936 588 D HN 0.436 nan 8.370 nan 0.000 0.505 589 T N -0.712 113.875 114.554 0.054 0.000 3.023 589 T HA -0.046 4.305 4.350 0.002 0.000 0.266 589 T C 1.958 176.674 174.700 0.027 0.000 1.093 589 T CA 0.381 62.512 62.100 0.051 0.000 1.129 589 T CB -0.398 68.531 68.868 0.101 0.000 0.899 589 T HN 0.406 nan 8.240 nan 0.000 0.491 590 I N -1.935 118.630 120.570 -0.008 0.000 4.082 590 I HA 0.749 4.920 4.170 0.002 0.000 0.337 590 I C 0.426 176.487 176.117 -0.094 0.000 1.352 590 I CA -1.022 60.229 61.300 -0.082 0.000 1.097 590 I CB 0.225 38.081 38.000 -0.241 0.000 1.048 590 I HN 0.265 nan 8.210 nan 0.000 0.393 591 A N 2.536 125.305 122.820 -0.085 0.000 2.594 591 A HA 0.620 4.941 4.320 0.002 0.000 0.295 591 A C -0.663 176.827 177.584 -0.157 0.000 1.071 591 A CA -0.533 51.435 52.037 -0.116 0.000 0.685 591 A CB 1.066 19.993 19.000 -0.121 0.000 1.285 591 A HN 0.332 nan 8.150 nan 0.000 0.405 592 N N 0.571 119.167 118.700 -0.173 0.000 2.305 592 N HA 0.119 4.860 4.740 0.002 0.000 0.248 592 N C -0.420 174.954 175.510 -0.227 0.000 1.290 592 N CA -0.221 52.720 53.050 -0.182 0.000 0.873 592 N CB 0.447 38.872 38.487 -0.103 0.000 1.261 592 N HN 0.646 nan 8.380 nan 0.000 0.504 593 E N 2.873 122.879 120.200 -0.324 0.000 2.415 593 E HA 0.181 4.532 4.350 0.002 0.000 0.263 593 E C -2.086 174.330 176.600 -0.308 0.000 0.995 593 E CA -1.260 54.997 56.400 -0.239 0.000 0.915 593 E CB 0.725 30.365 29.700 -0.099 0.000 0.951 593 E HN 0.254 nan 8.360 nan 0.000 0.449 594 P HA 0.044 nan 4.420 nan 0.000 0.274 594 P C -0.547 176.539 177.300 -0.357 0.000 1.231 594 P CA -0.103 62.827 63.100 -0.283 0.000 0.790 594 P CB 0.552 32.065 31.700 -0.311 0.000 0.951 595 L N 3.278 124.420 121.223 -0.134 0.000 2.410 595 L HA 0.085 4.426 4.340 0.002 0.000 0.273 595 L C 1.784 178.529 176.870 -0.209 0.000 1.152 595 L CA -0.128 54.713 54.840 0.002 0.000 0.855 595 L CB -0.158 41.988 42.059 0.145 0.000 1.129 595 L HN 0.475 nan 8.230 nan 0.000 0.463 596 H N 2.369 121.392 119.070 -0.078 0.000 2.551 596 H HA 0.150 4.707 4.556 0.002 0.000 0.271 596 H C -0.547 174.438 175.328 -0.573 0.000 0.984 596 H CA 0.173 56.014 56.048 -0.345 0.000 1.164 596 H CB 0.320 29.773 29.762 -0.516 0.000 1.437 596 H HN 0.414 nan 8.280 nan 0.000 0.550 597 Y N 0.575 120.852 120.300 -0.039 0.000 2.528 597 Y HA 0.178 4.729 4.550 0.002 0.000 0.335 597 Y C 0.437 176.242 175.900 -0.158 0.000 1.093 597 Y CA -1.431 56.423 58.100 -0.410 0.000 1.134 597 Y CB 1.193 38.914 38.460 -1.232 0.000 1.253 597 Y HN -0.111 nan 8.280 nan 0.000 0.478 598 D N 1.254 121.640 120.400 -0.023 0.000 2.453 598 D HA 0.037 4.678 4.640 0.002 0.000 0.223 598 D C -0.220 176.251 176.300 0.285 0.000 1.183 598 D CA 0.011 54.108 54.000 0.160 0.000 0.933 598 D CB 0.015 40.898 40.800 0.138 0.000 1.038 598 D HN 0.536 nan 8.370 nan 0.000 0.513 599 W N 1.750 123.191 121.300 0.235 0.000 2.863 599 W HA 0.048 4.709 4.660 0.002 0.000 0.258 599 W C 1.924 178.556 176.519 0.189 0.000 1.298 599 W CA -0.212 57.294 57.345 0.269 0.000 1.451 599 W CB 0.522 30.122 29.460 0.234 0.000 1.107 599 W HN 0.331 nan 8.180 nan 0.000 0.641 600 E N 0.071 120.480 120.200 0.347 0.000 2.112 600 E HA -0.077 4.274 4.350 0.002 0.000 0.190 600 E C 2.253 178.963 176.600 0.184 0.000 0.979 600 E CA 1.259 57.798 56.400 0.233 0.000 0.814 600 E CB -0.919 28.885 29.700 0.173 0.000 0.762 600 E HN 0.196 nan 8.360 nan 0.000 0.460 601 A N 1.274 124.197 122.820 0.171 0.000 1.908 601 A HA -0.154 4.167 4.320 0.002 0.000 0.218 601 A C 2.271 179.926 177.584 0.117 0.000 1.181 601 A CA 1.334 53.449 52.037 0.131 0.000 0.627 601 A CB -0.577 18.497 19.000 0.123 0.000 0.818 601 A HN 0.245 nan 8.150 nan 0.000 0.445 602 L N -0.740 120.557 121.223 0.124 0.000 2.179 602 L HA 0.002 4.343 4.340 0.002 0.000 0.208 602 L C 2.453 179.393 176.870 0.116 0.000 1.096 602 L CA 1.705 56.575 54.840 0.050 0.000 0.779 602 L CB -0.372 41.634 42.059 -0.088 0.000 0.922 602 L HN 0.431 nan 8.230 nan 0.000 0.443 603 R N -0.401 120.215 120.500 0.193 0.000 2.096 603 R HA -0.193 4.148 4.340 0.002 0.000 0.240 603 R C 2.015 178.408 176.300 0.156 0.000 1.139 603 R CA 1.848 58.074 56.100 0.209 0.000 0.952 603 R CB -0.162 30.269 30.300 0.219 0.000 0.854 603 R HN 0.403 nan 8.270 nan 0.000 0.436 604 E N -0.062 120.213 120.200 0.124 0.000 2.106 604 E HA -0.122 4.229 4.350 0.002 0.000 0.192 604 E C 1.913 178.560 176.600 0.078 0.000 0.984 604 E CA 0.994 57.448 56.400 0.091 0.000 0.806 604 E CB -0.381 29.364 29.700 0.076 0.000 0.750 604 E HN 0.222 nan 8.360 nan 0.000 0.458 605 S N 0.295 116.053 115.700 0.096 0.000 2.399 605 S HA -0.089 4.382 4.470 0.002 0.000 0.231 605 S C 2.022 176.688 174.600 0.109 0.000 1.022 605 S CA 0.587 58.865 58.200 0.130 0.000 0.983 605 S CB -0.112 63.152 63.200 0.107 0.000 0.803 605 S HN 0.142 nan 8.310 nan 0.000 0.480 606 I N 1.218 121.844 120.570 0.093 0.000 2.193 606 I HA -0.153 4.018 4.170 0.002 0.000 0.240 606 I C 2.474 178.669 176.117 0.130 0.000 1.084 606 I CA 1.070 62.431 61.300 0.101 0.000 1.365 606 I CB -0.249 37.862 38.000 0.184 0.000 1.064 606 I HN 0.191 nan 8.210 nan 0.000 0.410 607 K N 0.096 120.585 120.400 0.148 0.000 2.044 607 K HA -0.180 4.141 4.320 0.002 0.000 0.210 607 K C 2.088 178.721 176.600 0.054 0.000 1.049 607 K CA 2.026 58.398 56.287 0.142 0.000 0.927 607 K CB -0.638 31.923 32.500 0.102 0.000 0.713 607 K HN 0.357 nan 8.250 nan 0.000 0.443 608 T N 0.432 114.953 114.554 -0.055 0.000 2.623 608 T HA -0.098 4.253 4.350 0.002 0.000 0.254 608 T C 1.705 176.230 174.700 -0.290 0.000 1.075 608 T CA 1.440 63.395 62.100 -0.242 0.000 1.177 608 T CB -0.327 68.252 68.868 -0.481 0.000 0.869 608 T HN 0.390 nan 8.240 nan 0.000 0.403 609 H N 0.200 119.236 119.070 -0.055 0.000 2.544 609 H HA 0.435 4.992 4.556 0.002 0.000 0.269 609 H C 1.433 176.615 175.328 -0.243 0.000 0.970 609 H CA 0.224 56.205 56.048 -0.112 0.000 1.219 609 H CB -0.198 29.507 29.762 -0.095 0.000 1.421 609 H HN 0.603 nan 8.280 nan 0.000 0.555 610 G N 0.376 109.021 108.800 -0.260 0.000 2.693 610 G HA2 -0.250 3.711 3.960 0.002 0.000 0.226 610 G HA3 -0.250 3.711 3.960 0.002 0.000 0.226 610 G C -0.893 173.610 174.900 -0.661 0.000 1.354 610 G CA -0.418 44.166 45.100 -0.861 0.000 0.873 610 G HN 0.202 nan 8.290 nan 0.000 0.562 611 L N -0.382 120.308 121.223 -0.888 0.000 2.385 611 L HA 0.560 4.901 4.340 0.002 0.000 0.273 611 L C 1.387 178.116 176.870 -0.235 0.000 0.990 611 L CA -0.968 53.657 54.840 -0.358 0.000 0.821 611 L CB 1.892 43.839 42.059 -0.186 0.000 1.279 611 L HN 0.668 nan 8.230 nan 0.000 0.412 612 R N 2.047 122.457 120.500 -0.150 0.000 2.159 612 R HA -0.065 4.276 4.340 0.002 0.000 0.237 612 R C -0.335 175.948 176.300 -0.029 0.000 1.131 612 R CA 1.393 57.441 56.100 -0.085 0.000 0.982 612 R CB -0.335 29.921 30.300 -0.074 0.000 0.868 612 R HN 0.712 nan 8.270 nan 0.000 0.453 613 N N -1.501 117.189 118.700 -0.017 0.000 2.258 613 N HA 0.220 4.961 4.740 0.002 0.000 0.299 613 N C -0.296 175.260 175.510 0.076 0.000 1.047 613 N CA -0.295 52.774 53.050 0.031 0.000 0.814 613 N CB 2.234 40.726 38.487 0.009 0.000 1.413 613 N HN -0.205 nan 8.380 nan 0.000 0.478 614 S N -0.177 115.617 115.700 0.157 0.000 2.382 614 S HA -0.069 4.402 4.470 0.002 0.000 0.228 614 S C 0.837 175.485 174.600 0.080 0.000 1.027 614 S CA 1.145 59.465 58.200 0.201 0.000 0.991 614 S CB -0.139 63.305 63.200 0.406 0.000 0.823 614 S HN 0.829 nan 8.310 nan 0.000 0.469 615 T N -1.510 113.102 114.554 0.097 0.000 2.893 615 T HA 0.722 5.073 4.350 0.002 0.000 0.291 615 T C 0.353 175.088 174.700 0.058 0.000 1.028 615 T CA -0.775 61.366 62.100 0.068 0.000 0.995 615 T CB 1.769 70.698 68.868 0.103 0.000 1.051 615 T HN -0.030 nan 8.240 nan 0.000 0.470 616 L N 1.397 122.656 121.223 0.060 0.000 2.600 616 L HA 0.324 4.665 4.340 0.002 0.000 0.213 616 L C 1.188 178.105 176.870 0.079 0.000 1.045 616 L CA -0.027 54.848 54.840 0.058 0.000 0.863 616 L CB 0.275 42.361 42.059 0.045 0.000 1.189 616 L HN 0.871 nan 8.230 nan 0.000 0.484 617 S N 0.141 115.904 115.700 0.104 0.000 2.489 617 S HA 0.844 5.315 4.470 0.002 0.000 0.291 617 S C -0.405 174.253 174.600 0.096 0.000 1.151 617 S CA -0.370 57.903 58.200 0.122 0.000 1.082 617 S CB 2.096 65.401 63.200 0.176 0.000 1.019 617 S HN 0.164 nan 8.310 nan 0.000 0.492 618 A N 3.103 125.975 122.820 0.087 0.000 2.513 618 A HA 0.583 4.904 4.320 0.002 0.000 0.296 618 A C -0.997 176.631 177.584 0.072 0.000 1.052 618 A CA -0.808 51.270 52.037 0.069 0.000 0.714 618 A CB 0.952 19.985 19.000 0.055 0.000 1.279 618 A HN 0.879 nan 8.150 nan 0.000 0.397 619 L N 4.621 125.881 121.223 0.061 0.000 2.288 619 L HA 0.384 4.725 4.340 0.002 0.000 0.283 619 L C 0.313 177.215 176.870 0.054 0.000 1.072 619 L CA -0.490 54.388 54.840 0.064 0.000 0.862 619 L CB 0.694 42.773 42.059 0.033 0.000 1.245 619 L HN 0.834 nan 8.230 nan 0.000 0.432 620 M N 3.505 123.142 119.600 0.062 0.000 2.494 620 M HA 0.701 5.182 4.480 0.002 0.000 0.300 620 M C -2.772 173.569 176.300 0.068 0.000 1.189 620 M CA -2.353 52.981 55.300 0.056 0.000 0.982 620 M CB 0.164 32.794 32.600 0.050 0.000 1.534 620 M HN 0.006 nan 8.290 nan 0.000 0.488 621 P HA 0.402 nan 4.420 nan 0.000 0.284 621 P C -1.184 176.160 177.300 0.073 0.000 1.253 621 P CA -0.298 62.844 63.100 0.069 0.000 0.800 621 P CB 0.886 32.618 31.700 0.055 0.000 0.961 622 S N 0.252 116.001 115.700 0.082 0.000 2.526 622 S HA 0.570 5.041 4.470 0.002 0.000 0.293 622 S C 0.303 174.950 174.600 0.078 0.000 1.092 622 S CA -0.362 57.889 58.200 0.084 0.000 0.980 622 S CB 2.607 65.863 63.200 0.093 0.000 1.048 622 S HN 0.466 nan 8.310 nan 0.000 0.483 623 E N 2.193 122.439 120.200 0.075 0.000 2.940 623 E HA 0.161 4.512 4.350 0.002 0.000 0.203 623 E C 1.447 178.084 176.600 0.062 0.000 0.995 623 E CA 0.504 56.942 56.400 0.063 0.000 1.396 623 E CB -0.245 29.489 29.700 0.056 0.000 1.310 623 E HN 0.604 nan 8.360 nan 0.000 0.613 624 T N 0.293 114.896 114.554 0.082 0.000 2.770 624 T HA -0.090 4.261 4.350 0.002 0.000 0.263 624 T C 1.828 176.597 174.700 0.115 0.000 1.039 624 T CA 1.668 63.828 62.100 0.099 0.000 1.142 624 T CB -0.312 68.645 68.868 0.147 0.000 0.868 624 T HN 0.283 nan 8.240 nan 0.000 0.435 625 S N 2.048 117.837 115.700 0.148 0.000 2.399 625 S HA -0.098 4.373 4.470 0.002 0.000 0.231 625 S C 2.296 176.959 174.600 0.105 0.000 1.022 625 S CA 1.248 59.553 58.200 0.174 0.000 0.983 625 S CB -0.468 62.835 63.200 0.172 0.000 0.803 625 S HN 0.580 nan 8.310 nan 0.000 0.480 626 S N 1.896 117.641 115.700 0.075 0.000 2.425 626 S HA 0.015 4.486 4.470 0.002 0.000 0.225 626 S C 1.880 176.480 174.600 -0.001 0.000 1.024 626 S CA 0.250 58.477 58.200 0.045 0.000 0.951 626 S CB -0.445 62.794 63.200 0.066 0.000 0.796 626 S HN 0.483 nan 8.310 nan 0.000 0.498 627 Q N 0.874 120.671 119.800 -0.004 0.000 2.112 627 Q HA -0.072 4.269 4.340 0.002 0.000 0.206 627 Q C 1.976 177.931 176.000 -0.075 0.000 0.987 627 Q CA 1.375 57.154 55.803 -0.040 0.000 0.858 627 Q CB -0.459 28.255 28.738 -0.040 0.000 0.905 627 Q HN 0.475 nan 8.270 nan 0.000 0.420 628 I N 0.516 121.040 120.570 -0.075 0.000 2.264 628 I HA -0.222 3.949 4.170 0.002 0.000 0.248 628 I C 1.810 177.841 176.117 -0.144 0.000 1.111 628 I CA 1.420 62.680 61.300 -0.066 0.000 1.382 628 I CB -1.049 36.925 38.000 -0.042 0.000 1.060 628 I HN 0.109 nan 8.210 nan 0.000 0.418 629 S N 0.171 115.723 115.700 -0.246 0.000 2.593 629 S HA -0.006 4.465 4.470 0.002 0.000 0.217 629 S C 0.793 175.152 174.600 -0.401 0.000 0.966 629 S CA -0.178 57.670 58.200 -0.586 0.000 0.914 629 S CB -0.670 62.350 63.200 -0.299 0.000 0.776 629 S HN 0.553 nan 8.310 nan 0.000 0.523 630 N N 1.327 119.901 118.700 -0.210 0.000 2.669 630 N HA -0.227 4.514 4.740 0.002 0.000 0.266 630 N C -0.445 175.002 175.510 -0.104 0.000 1.024 630 N CA 0.323 53.302 53.050 -0.119 0.000 0.766 630 N CB -0.924 37.519 38.487 -0.073 0.000 0.898 630 N HN 0.566 nan 8.380 nan 0.000 0.548 631 A N 1.257 124.040 122.820 -0.060 0.000 2.374 631 A HA 0.626 4.947 4.320 0.002 0.000 0.317 631 A C 0.450 178.063 177.584 0.049 0.000 1.094 631 A CA -0.065 51.969 52.037 -0.005 0.000 0.765 631 A CB 1.182 20.201 19.000 0.031 0.000 1.268 631 A HN 0.488 nan 8.150 nan 0.000 0.438 632 T N 0.202 114.827 114.554 0.118 0.000 2.930 632 T HA 0.288 4.639 4.350 0.002 0.000 0.306 632 T C 0.063 174.862 174.700 0.165 0.000 1.045 632 T CA -0.350 61.842 62.100 0.153 0.000 1.134 632 T CB -0.418 68.600 68.868 0.249 0.000 0.961 632 T HN 0.598 nan 8.240 nan 0.000 0.545 633 N N 2.083 120.862 118.700 0.132 0.000 2.497 633 N HA 0.456 5.197 4.740 0.002 0.000 0.268 633 N C 1.464 177.080 175.510 0.176 0.000 1.171 633 N CA 0.184 53.312 53.050 0.129 0.000 0.948 633 N CB 0.317 38.858 38.487 0.090 0.000 1.069 633 N HN 1.049 nan 8.380 nan 0.000 0.460 634 G N 2.311 111.214 108.800 0.171 0.000 2.672 634 G HA2 -0.367 3.594 3.960 0.002 0.000 0.356 634 G HA3 -0.367 3.594 3.960 0.002 0.000 0.356 634 G C 0.722 175.792 174.900 0.283 0.000 1.312 634 G CA 1.097 46.312 45.100 0.193 0.000 0.980 634 G HN 0.850 nan 8.290 nan 0.000 0.540 635 I N -1.237 119.504 120.570 0.285 0.000 3.861 635 I HA 0.425 4.596 4.170 0.002 0.000 0.329 635 I C 0.054 176.539 176.117 0.614 0.000 1.321 635 I CA -0.051 61.502 61.300 0.421 0.000 1.126 635 I CB 0.192 38.280 38.000 0.147 0.000 1.018 635 I HN 0.054 nan 8.210 nan 0.000 0.407 636 E N 2.993 123.432 120.200 0.398 0.000 2.301 636 E HA 0.353 4.704 4.350 0.002 0.000 0.275 636 E C -2.351 174.306 176.600 0.095 0.000 1.030 636 E CA -2.458 54.065 56.400 0.205 0.000 0.852 636 E CB 0.304 30.039 29.700 0.058 0.000 1.060 636 E HN 0.048 nan 8.360 nan 0.000 0.401 637 P HA 0.082 nan 4.420 nan 0.000 0.263 637 P C -2.369 174.794 177.300 -0.229 0.000 1.195 637 P CA -0.859 62.008 63.100 -0.387 0.000 0.762 637 P CB -0.292 30.977 31.700 -0.719 0.000 0.799 638 P HA -0.001 nan 4.420 nan 0.000 0.263 638 P C 0.718 177.889 177.300 -0.215 0.000 1.175 638 P CA 0.347 63.359 63.100 -0.146 0.000 0.761 638 P CB 0.515 32.108 31.700 -0.180 0.000 0.794 639 R N 1.762 122.158 120.500 -0.174 0.000 2.115 639 R HA 0.172 4.513 4.340 0.002 0.000 0.230 639 R C 1.340 177.572 176.300 -0.112 0.000 1.111 639 R CA 1.090 57.102 56.100 -0.146 0.000 0.976 639 R CB -0.248 30.051 30.300 -0.002 0.000 0.870 639 R HN 0.608 nan 8.270 nan 0.000 0.445 640 G N -2.355 106.358 108.800 -0.146 0.000 2.649 640 G HA2 0.277 4.238 3.960 0.002 0.000 0.290 640 G HA3 0.277 4.238 3.960 0.002 0.000 0.290 640 G C -0.819 173.956 174.900 -0.209 0.000 1.426 640 G CA -0.762 44.217 45.100 -0.201 0.000 0.794 640 G HN -0.037 nan 8.290 nan 0.000 0.483 641 Y N -0.697 119.603 120.300 -0.000 0.000 2.373 641 Y HA 0.192 4.743 4.550 0.002 0.000 0.293 641 Y C 1.348 177.195 175.900 -0.088 0.000 1.129 641 Y CA 0.372 58.461 58.100 -0.018 0.000 1.226 641 Y CB 0.087 38.612 38.460 0.109 0.000 1.000 641 Y HN 0.137 nan 8.280 nan 0.000 0.549 642 V N 0.297 120.249 119.914 0.062 0.000 2.531 642 V HA 0.399 4.520 4.120 0.002 0.000 0.301 642 V C -0.302 175.791 176.094 -0.002 0.000 1.034 642 V CA -1.247 61.053 62.300 0.000 0.000 0.865 642 V CB 1.627 33.433 31.823 -0.028 0.000 0.995 642 V HN 0.093 nan 8.190 nan 0.000 0.424 643 S N 5.137 120.833 115.700 -0.007 0.000 2.509 643 S HA 0.848 5.319 4.470 0.002 0.000 0.297 643 S C -0.817 173.787 174.600 0.006 0.000 1.118 643 S CA -0.566 57.634 58.200 0.000 0.000 1.074 643 S CB 1.457 64.655 63.200 -0.003 0.000 1.038 643 S HN 0.450 nan 8.310 nan 0.000 0.498 644 I N 2.278 122.855 120.570 0.013 0.000 2.525 644 I HA 0.526 4.697 4.170 0.002 0.000 0.301 644 I C -0.041 176.088 176.117 0.021 0.000 0.992 644 I CA -0.347 60.963 61.300 0.017 0.000 1.162 644 I CB 1.822 39.831 38.000 0.015 0.000 1.332 644 I HN 0.679 nan 8.210 nan 0.000 0.458 645 K N 4.320 124.735 120.400 0.024 0.000 2.501 645 K HA 0.764 5.085 4.320 0.002 0.000 0.252 645 K C -1.237 175.380 176.600 0.028 0.000 0.934 645 K CA -0.861 55.441 56.287 0.024 0.000 0.797 645 K CB 2.255 34.766 32.500 0.019 0.000 1.270 645 K HN 0.619 nan 8.250 nan 0.000 0.431 646 A N 1.525 124.361 122.820 0.026 0.000 2.340 646 A HA 0.678 4.999 4.320 0.002 0.000 0.268 646 A C -0.028 177.572 177.584 0.026 0.000 1.100 646 A CA -0.083 51.970 52.037 0.026 0.000 0.803 646 A CB 0.541 19.555 19.000 0.024 0.000 1.043 646 A HN 0.796 nan 8.150 nan 0.000 0.488 647 S N 0.495 116.213 115.700 0.029 0.000 2.672 647 S HA 0.394 4.865 4.470 0.002 0.000 0.271 647 S C 0.410 175.028 174.600 0.030 0.000 1.171 647 S CA -0.115 58.101 58.200 0.027 0.000 0.817 647 S CB 0.964 64.179 63.200 0.026 0.000 1.150 647 S HN 0.675 nan 8.310 nan 0.000 0.478 648 K N -0.108 120.309 120.400 0.028 0.000 2.283 648 K HA 0.024 4.345 4.320 0.002 0.000 0.202 648 K C -0.091 176.534 176.600 0.040 0.000 1.048 648 K CA 1.434 57.739 56.287 0.030 0.000 0.948 648 K CB -0.222 32.294 32.500 0.027 0.000 0.742 648 K HN 0.587 nan 8.250 nan 0.000 0.458 649 D N 0.795 121.226 120.400 0.051 0.000 2.561 649 D HA 0.142 4.783 4.640 0.002 0.000 0.232 649 D C 0.323 176.672 176.300 0.081 0.000 1.198 649 D CA 0.442 54.485 54.000 0.071 0.000 0.826 649 D CB 0.372 41.227 40.800 0.092 0.000 0.992 649 D HN 0.405 nan 8.370 nan 0.000 0.490 650 G N 1.012 109.847 108.800 0.058 0.000 2.756 650 G HA2 -0.239 3.722 3.960 0.002 0.000 0.678 650 G HA3 -0.239 3.722 3.960 0.002 0.000 0.678 650 G C -0.187 174.748 174.900 0.059 0.000 1.349 650 G CA -0.998 44.132 45.100 0.051 0.000 0.847 650 G HN 0.266 nan 8.290 nan 0.000 0.548 651 I N 0.686 121.281 120.570 0.043 0.000 2.668 651 I HA 0.162 4.333 4.170 0.002 0.000 0.285 651 I C 0.891 177.053 176.117 0.075 0.000 1.168 651 I CA 0.292 61.618 61.300 0.042 0.000 1.424 651 I CB 0.052 38.062 38.000 0.018 0.000 1.377 651 I HN 0.351 nan 8.210 nan 0.000 0.560 652 L N 7.625 128.899 121.223 0.084 0.000 2.307 652 L HA 0.617 4.958 4.340 0.002 0.000 0.284 652 L C -0.070 176.846 176.870 0.077 0.000 1.023 652 L CA -0.710 54.207 54.840 0.129 0.000 0.810 652 L CB 1.061 43.183 42.059 0.105 0.000 1.231 652 L HN 0.554 nan 8.230 nan 0.000 0.423 653 R N 2.077 122.629 120.500 0.086 0.000 2.750 653 R HA 0.585 4.926 4.340 0.002 0.000 0.281 653 R C -1.160 175.159 176.300 0.031 0.000 0.972 653 R CA -0.794 55.327 56.100 0.035 0.000 0.912 653 R CB 2.728 33.031 30.300 0.005 0.000 1.187 653 R HN 0.571 nan 8.270 nan 0.000 0.464 654 Q N 1.802 121.601 119.800 -0.001 0.000 2.274 654 Q HA 0.326 4.667 4.340 0.002 0.000 0.268 654 Q C -1.493 174.489 176.000 -0.030 0.000 1.015 654 Q CA -0.650 55.140 55.803 -0.022 0.000 0.775 654 Q CB 2.321 31.044 28.738 -0.026 0.000 1.256 654 Q HN 0.390 nan 8.270 nan 0.000 0.442 655 V N 4.113 124.004 119.914 -0.039 0.000 2.498 655 V HA 0.220 4.341 4.120 0.002 0.000 0.279 655 V C 0.524 176.627 176.094 0.014 0.000 1.048 655 V CA -0.691 61.590 62.300 -0.032 0.000 0.967 655 V CB 0.935 32.721 31.823 -0.061 0.000 0.988 655 V HN 0.701 nan 8.190 nan 0.000 0.473 656 V N 4.470 124.401 119.914 0.029 0.000 2.872 656 V HA 0.111 4.232 4.120 0.002 0.000 0.302 656 V C -1.758 174.413 176.094 0.128 0.000 1.166 656 V CA -1.032 61.277 62.300 0.014 0.000 1.298 656 V CB -0.531 31.176 31.823 -0.192 0.000 0.894 656 V HN 0.804 nan 8.190 nan 0.000 0.509 657 P HA 0.087 nan 4.420 nan 0.000 0.268 657 P C 0.124 177.578 177.300 0.256 0.000 1.205 657 P CA 0.437 63.558 63.100 0.035 0.000 0.771 657 P CB 0.335 31.806 31.700 -0.382 0.000 0.858 658 D N 0.786 121.363 120.400 0.295 0.000 2.737 658 D HA -0.270 4.371 4.640 0.002 0.000 0.233 658 D C 0.595 177.165 176.300 0.450 0.000 1.155 658 D CA 0.608 54.844 54.000 0.393 0.000 0.667 658 D CB -1.583 39.475 40.800 0.430 0.000 1.060 658 D HN 0.517 nan 8.370 nan 0.000 0.427 659 Y N 0.478 120.955 120.300 0.295 0.000 2.114 659 Y HA -0.292 4.259 4.550 0.002 0.000 0.282 659 Y C 2.237 178.266 175.900 0.215 0.000 1.165 659 Y CA 2.829 61.082 58.100 0.255 0.000 1.148 659 Y CB -0.199 38.314 38.460 0.088 0.000 0.972 659 Y HN 0.356 nan 8.280 nan 0.000 0.504 660 E N -0.602 119.769 120.200 0.286 0.000 2.068 660 E HA -0.342 4.009 4.350 0.002 0.000 0.207 660 E C 1.711 178.241 176.600 -0.117 0.000 1.032 660 E CA 2.196 58.619 56.400 0.037 0.000 0.839 660 E CB -0.570 29.085 29.700 -0.075 0.000 0.758 660 E HN 0.711 nan 8.360 nan 0.000 0.457 661 H N -1.098 118.024 119.070 0.086 0.000 2.548 661 H HA 0.142 4.699 4.556 0.002 0.000 0.265 661 H C 1.335 176.602 175.328 -0.101 0.000 0.969 661 H CA 0.621 56.668 56.048 -0.002 0.000 1.155 661 H CB 0.658 30.421 29.762 0.002 0.000 1.394 661 H HN 0.269 nan 8.280 nan 0.000 0.570 662 L N 0.592 121.813 121.223 -0.003 0.000 3.217 662 L HA 0.024 4.365 4.340 0.002 0.000 0.288 662 L C 2.180 178.998 176.870 -0.086 0.000 1.202 662 L CA 0.034 54.819 54.840 -0.093 0.000 1.027 662 L CB 0.062 42.084 42.059 -0.062 0.000 1.427 662 L HN 0.316 nan 8.230 nan 0.000 0.600 663 H N -0.139 118.815 119.070 -0.193 0.000 2.357 663 H HA -0.217 4.340 4.556 0.002 0.000 0.296 663 H C 0.621 175.974 175.328 0.042 0.000 1.108 663 H CA 1.814 57.672 56.048 -0.318 0.000 1.273 663 H CB -0.315 28.717 29.762 -1.216 0.000 1.367 663 H HN 0.310 nan 8.280 nan 0.000 0.498 664 D N 1.129 121.302 120.400 -0.378 0.000 2.277 664 D HA 0.092 4.733 4.640 0.002 0.000 0.208 664 D C 2.233 178.513 176.300 -0.032 0.000 0.962 664 D CA 1.062 54.989 54.000 -0.122 0.000 0.865 664 D CB -0.112 40.557 40.800 -0.219 0.000 0.939 664 D HN 0.599 nan 8.370 nan 0.000 0.510 665 A N -0.072 122.698 122.820 -0.083 0.000 2.021 665 A HA -0.038 4.283 4.320 0.002 0.000 0.216 665 A C 0.586 178.152 177.584 -0.030 0.000 1.163 665 A CA 0.162 52.138 52.037 -0.102 0.000 0.676 665 A CB -0.387 18.485 19.000 -0.213 0.000 0.818 665 A HN 0.070 nan 8.150 nan 0.000 0.453 666 Y N 0.446 120.818 120.300 0.119 0.000 2.457 666 Y HA 0.277 4.828 4.550 0.002 0.000 0.341 666 Y C 0.756 176.738 175.900 0.136 0.000 1.240 666 Y CA 0.363 58.568 58.100 0.174 0.000 1.437 666 Y CB 0.420 39.051 38.460 0.285 0.000 1.328 666 Y HN 0.385 nan 8.280 nan 0.000 0.588 667 E N 3.786 124.164 120.200 0.296 0.000 2.207 667 E HA 0.330 4.681 4.350 0.002 0.000 0.250 667 E C -1.356 175.289 176.600 0.075 0.000 0.890 667 E CA -0.489 56.015 56.400 0.173 0.000 0.749 667 E CB 0.388 30.192 29.700 0.173 0.000 1.193 667 E HN 0.602 nan 8.360 nan 0.000 0.423 668 L N 4.845 126.070 121.223 0.005 0.000 2.506 668 L HA -0.040 4.301 4.340 0.002 0.000 0.281 668 L C 1.759 178.509 176.870 -0.201 0.000 1.228 668 L CA -0.214 54.547 54.840 -0.132 0.000 0.850 668 L CB 0.181 42.124 42.059 -0.193 0.000 1.110 668 L HN 0.775 nan 8.230 nan 0.000 0.496 669 L N 2.721 123.728 121.223 -0.360 0.000 1.991 669 L HA -0.228 4.113 4.340 0.002 0.000 0.221 669 L C 1.849 178.380 176.870 -0.564 0.000 1.079 669 L CA 2.201 56.676 54.840 -0.609 0.000 0.778 669 L CB -0.488 41.043 42.059 -0.880 0.000 0.893 669 L HN 0.590 nan 8.230 nan 0.000 0.437 670 W N -0.108 121.137 121.300 -0.093 0.000 2.825 670 W HA -0.033 4.629 4.660 0.003 0.000 0.243 670 W C 2.098 178.595 176.519 -0.037 0.000 1.293 670 W CA 0.482 57.794 57.345 -0.056 0.000 1.403 670 W CB -0.252 29.186 29.460 -0.036 0.000 1.134 670 W HN 0.295 nan 8.180 nan 0.000 0.666 671 E N 0.210 120.477 120.200 0.112 0.000 2.481 671 E HA -0.019 4.332 4.350 0.002 0.000 0.195 671 E C 0.783 177.421 176.600 0.064 0.000 1.047 671 E CA 0.232 56.687 56.400 0.090 0.000 0.867 671 E CB -0.135 29.608 29.700 0.071 0.000 0.858 671 E HN 0.256 nan 8.360 nan 0.000 0.513 672 M N 1.882 121.498 119.600 0.027 0.000 2.227 672 M HA 0.069 4.550 4.480 0.002 0.000 0.349 672 M C -1.767 174.564 176.300 0.052 0.000 1.443 672 M CA -1.493 53.821 55.300 0.022 0.000 1.110 672 M CB 0.436 33.008 32.600 -0.047 0.000 1.773 672 M HN -0.204 nan 8.290 nan 0.000 0.463 673 P HA -0.031 nan 4.420 nan 0.000 0.225 673 P C 0.443 177.771 177.300 0.047 0.000 1.148 673 P CA 0.652 63.777 63.100 0.043 0.000 0.779 673 P CB 0.315 32.036 31.700 0.036 0.000 0.780 674 G N -1.935 106.898 108.800 0.054 0.000 2.428 674 G HA2 0.064 4.025 3.960 0.002 0.000 0.305 674 G HA3 0.064 4.025 3.960 0.002 0.000 0.305 674 G C -0.230 174.694 174.900 0.039 0.000 1.260 674 G CA -0.400 44.736 45.100 0.060 0.000 0.853 674 G HN -0.221 nan 8.290 nan 0.000 0.480 675 N N -0.253 118.479 118.700 0.055 0.000 2.392 675 N HA 0.024 4.765 4.740 0.002 0.000 0.177 675 N C 1.168 176.790 175.510 0.187 0.000 1.066 675 N CA 0.924 54.025 53.050 0.085 0.000 0.895 675 N CB 0.419 38.937 38.487 0.052 0.000 0.988 675 N HN 0.506 nan 8.380 nan 0.000 0.457 676 D N 0.724 121.224 120.400 0.167 0.000 2.133 676 D HA -0.124 4.517 4.640 0.002 0.000 0.195 676 D C 2.036 178.425 176.300 0.149 0.000 0.997 676 D CA 1.458 55.562 54.000 0.174 0.000 0.840 676 D CB -0.392 40.505 40.800 0.161 0.000 0.947 676 D HN 0.246 nan 8.370 nan 0.000 0.452 677 G N -0.190 108.702 108.800 0.154 0.000 2.433 677 G HA2 -0.341 3.620 3.960 0.002 0.000 0.216 677 G HA3 -0.341 3.620 3.960 0.002 0.000 0.216 677 G C 1.471 176.484 174.900 0.188 0.000 1.186 677 G CA 0.811 45.995 45.100 0.141 0.000 0.779 677 G HN 0.289 nan 8.290 nan 0.000 0.543 678 Y N 1.304 121.693 120.300 0.148 0.000 2.069 678 Y HA -0.165 4.386 4.550 0.002 0.000 0.278 678 Y C 2.588 178.553 175.900 0.108 0.000 1.175 678 Y CA 1.730 59.949 58.100 0.199 0.000 1.134 678 Y CB -0.394 38.164 38.460 0.164 0.000 0.965 678 Y HN 0.117 nan 8.280 nan 0.000 0.498 679 L N -0.077 121.198 121.223 0.087 0.000 2.131 679 L HA -0.260 4.081 4.340 0.002 0.000 0.210 679 L C 2.515 179.323 176.870 -0.104 0.000 1.092 679 L CA 1.498 56.328 54.840 -0.017 0.000 0.759 679 L CB -0.597 41.560 42.059 0.163 0.000 0.903 679 L HN 0.385 nan 8.230 nan 0.000 0.435 680 Q N -0.157 119.556 119.800 -0.145 0.000 2.079 680 Q HA -0.168 4.173 4.340 0.002 0.000 0.200 680 Q C 2.398 178.245 176.000 -0.254 0.000 0.974 680 Q CA 1.150 56.746 55.803 -0.345 0.000 0.840 680 Q CB -0.139 28.377 28.738 -0.371 0.000 0.898 680 Q HN 0.528 nan 8.270 nan 0.000 0.430 681 L N 0.303 121.422 121.223 -0.174 0.000 2.042 681 L HA -0.204 4.137 4.340 0.002 0.000 0.210 681 L C 2.429 179.111 176.870 -0.313 0.000 1.076 681 L CA 0.961 55.694 54.840 -0.179 0.000 0.749 681 L CB -0.668 41.343 42.059 -0.079 0.000 0.893 681 L HN 0.115 nan 8.230 nan 0.000 0.432 682 V N 0.273 119.964 119.914 -0.372 0.000 2.295 682 V HA -0.219 3.902 4.120 0.002 0.000 0.246 682 V C 2.693 178.631 176.094 -0.260 0.000 1.049 682 V CA 1.994 64.070 62.300 -0.374 0.000 1.024 682 V CB -1.339 30.254 31.823 -0.384 0.000 0.648 682 V HN 0.575 nan 8.190 nan 0.000 0.447 683 G N 0.323 109.010 108.800 -0.189 0.000 2.529 683 G HA2 -0.287 3.674 3.960 0.002 0.000 0.219 683 G HA3 -0.287 3.674 3.960 0.002 0.000 0.219 683 G C 1.541 176.342 174.900 -0.164 0.000 1.177 683 G CA 1.444 46.462 45.100 -0.137 0.000 0.773 683 G HN 0.522 nan 8.290 nan 0.000 0.573 684 I N 0.212 120.674 120.570 -0.179 0.000 2.394 684 I HA -0.133 4.038 4.170 0.002 0.000 0.251 684 I C 2.899 178.928 176.117 -0.147 0.000 1.136 684 I CA 0.850 62.087 61.300 -0.106 0.000 1.425 684 I CB -0.175 37.808 38.000 -0.028 0.000 1.079 684 I HN 0.176 nan 8.210 nan 0.000 0.425 685 M N -0.252 119.129 119.600 -0.364 0.000 2.132 685 M HA -0.219 4.262 4.480 0.002 0.000 0.263 685 M C 2.244 178.397 176.300 -0.245 0.000 1.065 685 M CA 1.572 56.508 55.300 -0.606 0.000 1.122 685 M CB -0.225 31.800 32.600 -0.958 0.000 1.365 685 M HN 0.088 nan 8.290 nan 0.000 0.411 686 Q N 0.711 120.403 119.800 -0.181 0.000 2.515 686 Q HA -0.063 4.278 4.340 0.002 0.000 0.212 686 Q C 1.620 177.629 176.000 0.015 0.000 0.970 686 Q CA 1.155 56.920 55.803 -0.064 0.000 0.941 686 Q CB -0.177 28.528 28.738 -0.055 0.000 0.998 686 Q HN 0.302 nan 8.270 nan 0.000 0.518 687 K N -0.911 119.405 120.400 -0.139 0.000 2.057 687 K HA -0.109 4.212 4.320 0.002 0.000 0.206 687 K C 0.643 177.006 176.600 -0.396 0.000 1.050 687 K CA 1.299 57.349 56.287 -0.396 0.000 0.935 687 K CB 0.004 31.974 32.500 -0.883 0.000 0.715 687 K HN 0.296 nan 8.250 nan 0.000 0.439 688 F N 0.363 120.307 119.950 -0.011 0.000 2.731 688 F HA 0.220 4.748 4.527 0.001 0.000 0.298 688 F C 0.692 176.562 175.800 0.116 0.000 1.106 688 F CA -0.379 57.662 58.000 0.067 0.000 1.329 688 F CB 0.457 39.533 39.000 0.126 0.000 1.100 688 F HN -0.147 nan 8.300 nan 0.000 0.592 689 I N 1.561 122.258 120.570 0.212 0.000 2.325 689 I HA 0.033 4.204 4.170 0.002 0.000 0.291 689 I C 0.712 176.857 176.117 0.047 0.000 1.019 689 I CA -0.036 61.356 61.300 0.154 0.000 1.302 689 I CB 0.880 38.936 38.000 0.093 0.000 1.401 689 I HN 0.106 nan 8.210 nan 0.000 0.485 690 D N 4.421 124.865 120.400 0.072 0.000 2.144 690 D HA -0.136 4.505 4.640 0.002 0.000 0.199 690 D C 1.336 177.616 176.300 -0.033 0.000 0.984 690 D CA 1.485 55.490 54.000 0.009 0.000 0.834 690 D CB 0.584 41.431 40.800 0.078 0.000 0.955 690 D HN 0.622 nan 8.370 nan 0.000 0.465 691 Q N -0.288 119.522 119.800 0.016 0.000 3.035 691 Q HA 0.336 4.677 4.340 0.002 0.000 0.252 691 Q C 0.573 176.581 176.000 0.013 0.000 1.158 691 Q CA -0.243 55.575 55.803 0.025 0.000 0.345 691 Q CB 0.514 29.285 28.738 0.054 0.000 5.642 691 Q HN -0.071 nan 8.270 nan 0.000 0.331 692 S N -1.215 114.500 115.700 0.026 0.000 2.840 692 S HA 0.691 5.162 4.470 0.002 0.000 0.307 692 S C -1.757 172.851 174.600 0.013 0.000 1.180 692 S CA -0.699 57.513 58.200 0.021 0.000 0.846 692 S CB 1.113 64.332 63.200 0.032 0.000 1.233 692 S HN 0.339 nan 8.310 nan 0.000 0.548 693 I N 1.337 121.911 120.570 0.007 0.000 2.644 693 I HA 0.273 4.444 4.170 0.002 0.000 0.291 693 I C -0.523 175.600 176.117 0.011 0.000 1.180 693 I CA -0.462 60.834 61.300 -0.007 0.000 1.040 693 I CB 2.434 40.397 38.000 -0.062 0.000 1.255 693 I HN 0.425 nan 8.210 nan 0.000 0.422 694 S N 4.838 120.551 115.700 0.021 0.000 4.117 694 S HA 0.295 4.766 4.470 0.002 0.000 0.191 694 S C 0.490 175.132 174.600 0.070 0.000 1.308 694 S CA -0.455 57.758 58.200 0.022 0.000 0.906 694 S CB -0.431 62.781 63.200 0.020 0.000 1.565 694 S HN 0.602 nan 8.310 nan 0.000 0.439 695 A N 3.318 126.190 122.820 0.086 0.000 2.409 695 A HA 0.362 4.683 4.320 0.002 0.000 0.262 695 A C 0.476 178.196 177.584 0.227 0.000 1.113 695 A CA -0.593 51.559 52.037 0.192 0.000 0.790 695 A CB 0.280 19.357 19.000 0.129 0.000 1.046 695 A HN 0.613 nan 8.150 nan 0.000 0.496 696 N N 0.803 119.680 118.700 0.294 0.000 2.472 696 N HA 0.497 5.238 4.740 0.002 0.000 0.289 696 N C -0.413 175.192 175.510 0.158 0.000 1.156 696 N CA -0.147 52.996 53.050 0.154 0.000 0.940 696 N CB 1.789 40.288 38.487 0.019 0.000 1.200 696 N HN 0.731 nan 8.380 nan 0.000 0.511 697 T N -1.277 113.364 114.554 0.145 0.000 2.823 697 T HA 0.439 4.790 4.350 0.002 0.000 0.279 697 T C -0.425 174.267 174.700 -0.014 0.000 0.998 697 T CA -1.010 61.145 62.100 0.091 0.000 0.994 697 T CB 1.137 70.181 68.868 0.293 0.000 0.960 697 T HN 0.328 nan 8.240 nan 0.000 0.448 698 N N 1.841 120.364 118.700 -0.294 0.000 2.319 698 N HA 0.448 5.189 4.740 0.002 0.000 0.305 698 N C -1.679 173.603 175.510 -0.380 0.000 1.103 698 N CA -0.584 52.345 53.050 -0.202 0.000 0.815 698 N CB 2.107 40.360 38.487 -0.389 0.000 1.288 698 N HN 0.637 nan 8.380 nan 0.000 0.493 699 Y N -0.411 120.169 120.300 0.466 0.000 2.362 699 Y HA 0.146 4.697 4.550 0.002 0.000 0.326 699 Y C -0.723 175.371 175.900 0.323 0.000 1.083 699 Y CA -0.952 57.386 58.100 0.398 0.000 1.073 699 Y CB 1.720 40.291 38.460 0.184 0.000 1.211 699 Y HN 0.383 nan 8.280 nan 0.000 0.433 700 D N 5.285 125.945 120.400 0.433 0.000 2.443 700 D HA 0.308 4.949 4.640 0.002 0.000 0.221 700 D C -2.052 174.416 176.300 0.279 0.000 1.097 700 D CA -2.422 51.626 54.000 0.079 0.000 0.865 700 D CB 1.914 42.728 40.800 0.023 0.000 1.034 700 D HN 0.211 nan 8.370 nan 0.000 0.511 701 P HA -0.167 nan 4.420 nan 0.000 0.216 701 P C 1.207 178.659 177.300 0.253 0.000 1.150 701 P CA 1.140 64.357 63.100 0.195 0.000 0.843 701 P CB 0.159 31.885 31.700 0.044 0.000 0.787 702 S N -1.443 114.324 115.700 0.112 0.000 2.660 702 S HA -0.017 4.454 4.470 0.002 0.000 0.228 702 S C 1.563 176.199 174.600 0.060 0.000 0.966 702 S CA 0.355 58.594 58.200 0.064 0.000 0.940 702 S CB -0.777 62.420 63.200 -0.005 0.000 0.773 702 S HN 0.080 nan 8.310 nan 0.000 0.535 703 R N -0.516 120.041 120.500 0.095 0.000 2.432 703 R HA 0.378 4.719 4.340 0.002 0.000 0.260 703 R C -1.080 175.028 176.300 -0.321 0.000 0.935 703 R CA -0.024 55.998 56.100 -0.129 0.000 1.080 703 R CB 0.304 30.455 30.300 -0.247 0.000 1.155 703 R HN 0.403 nan 8.270 nan 0.000 0.531 704 F N 0.799 120.776 119.950 0.045 0.000 2.577 704 F HA 0.398 4.926 4.527 0.002 0.000 0.318 704 F C -1.925 173.894 175.800 0.031 0.000 1.065 704 F CA -2.990 55.038 58.000 0.047 0.000 0.929 704 F CB 1.311 40.344 39.000 0.055 0.000 1.237 704 F HN -0.159 nan 8.300 nan 0.000 0.468 705 P HA -0.000 nan 4.420 nan 0.000 0.264 705 P C -0.236 177.132 177.300 0.113 0.000 1.193 705 P CA 0.347 63.520 63.100 0.122 0.000 0.763 705 P CB 0.627 32.389 31.700 0.103 0.000 0.810 706 S N 1.588 117.333 115.700 0.076 0.000 3.550 706 S HA -0.172 4.299 4.470 0.002 0.000 0.372 706 S C 1.216 175.854 174.600 0.063 0.000 0.966 706 S CA 0.693 58.927 58.200 0.056 0.000 1.229 706 S CB -2.398 60.827 63.200 0.041 0.000 0.917 706 S HN 1.081 nan 8.310 nan 0.000 0.496 707 G N 1.377 110.229 108.800 0.086 0.000 2.458 707 G HA2 -0.337 3.624 3.960 0.002 0.000 0.300 707 G HA3 -0.337 3.624 3.960 0.002 0.000 0.300 707 G C 0.076 175.013 174.900 0.061 0.000 0.870 707 G CA 1.124 46.283 45.100 0.098 0.000 0.987 707 G HN 1.035 nan 8.290 nan 0.000 0.503 708 K N -0.772 119.660 120.400 0.053 0.000 2.323 708 K HA 0.605 4.926 4.320 0.002 0.000 0.259 708 K C -0.321 176.168 176.600 -0.186 0.000 0.947 708 K CA -1.210 55.049 56.287 -0.047 0.000 0.819 708 K CB 2.681 35.159 32.500 -0.037 0.000 1.109 708 K HN -0.064 nan 8.250 nan 0.000 0.429 709 V N 4.427 124.107 119.914 -0.389 0.000 2.446 709 V HA 0.094 4.215 4.120 0.002 0.000 0.276 709 V C -1.614 174.195 176.094 -0.476 0.000 1.030 709 V CA -1.139 60.684 62.300 -0.794 0.000 1.033 709 V CB -0.189 31.221 31.823 -0.688 0.000 0.993 709 V HN 0.796 nan 8.190 nan 0.000 0.477 710 P HA 0.176 nan 4.420 nan 0.000 0.280 710 P C 0.551 177.773 177.300 -0.129 0.000 1.244 710 P CA -0.597 62.416 63.100 -0.145 0.000 0.784 710 P CB 1.093 32.795 31.700 0.003 0.000 0.913 711 M N 2.853 122.405 119.600 -0.080 0.000 2.149 711 M HA -0.220 4.261 4.480 0.002 0.000 0.261 711 M C 2.008 178.302 176.300 -0.009 0.000 1.064 711 M CA 1.923 57.192 55.300 -0.051 0.000 1.102 711 M CB -1.237 31.350 32.600 -0.022 0.000 1.369 711 M HN 0.348 nan 8.290 nan 0.000 0.408 712 Q N -0.119 119.689 119.800 0.013 0.000 2.112 712 Q HA -0.265 4.076 4.340 0.002 0.000 0.206 712 Q C 2.091 178.134 176.000 0.072 0.000 0.987 712 Q CA 2.459 58.289 55.803 0.044 0.000 0.858 712 Q CB -0.394 28.378 28.738 0.058 0.000 0.905 712 Q HN 0.697 nan 8.270 nan 0.000 0.420 713 Q N -0.844 119.007 119.800 0.085 0.000 2.212 713 Q HA 0.078 4.419 4.340 0.002 0.000 0.199 713 Q C 1.857 177.945 176.000 0.147 0.000 0.950 713 Q CA 0.893 56.793 55.803 0.162 0.000 0.863 713 Q CB -0.119 28.772 28.738 0.254 0.000 0.944 713 Q HN 0.520 nan 8.270 nan 0.000 0.465 714 L N -0.239 120.991 121.223 0.012 0.000 2.079 714 L HA -0.199 4.142 4.340 0.002 0.000 0.210 714 L C 2.103 179.040 176.870 0.111 0.000 1.081 714 L CA 1.130 55.964 54.840 -0.010 0.000 0.752 714 L CB -0.410 41.577 42.059 -0.121 0.000 0.896 714 L HN 0.283 nan 8.230 nan 0.000 0.433 715 L N -0.919 120.364 121.223 0.100 0.000 2.131 715 L HA -0.133 4.208 4.340 0.002 0.000 0.206 715 L C 2.686 179.627 176.870 0.119 0.000 1.087 715 L CA 0.769 55.679 54.840 0.116 0.000 0.767 715 L CB -0.505 41.592 42.059 0.064 0.000 0.917 715 L HN 0.171 nan 8.230 nan 0.000 0.441 716 K N 0.417 120.886 120.400 0.115 0.000 2.063 716 K HA -0.212 4.109 4.320 0.002 0.000 0.208 716 K C 1.549 178.239 176.600 0.150 0.000 1.048 716 K CA 1.756 58.112 56.287 0.115 0.000 0.928 716 K CB -0.076 32.496 32.500 0.120 0.000 0.713 716 K HN 0.273 nan 8.250 nan 0.000 0.442 717 D N 0.956 121.479 120.400 0.206 0.000 2.117 717 D HA -0.179 4.462 4.640 0.002 0.000 0.197 717 D C 1.877 178.311 176.300 0.224 0.000 0.987 717 D CA 0.707 54.852 54.000 0.243 0.000 0.829 717 D CB -0.221 40.782 40.800 0.340 0.000 0.961 717 D HN 0.141 nan 8.370 nan 0.000 0.460 718 L N 0.461 121.822 121.223 0.230 0.000 2.083 718 L HA -0.112 4.229 4.340 0.002 0.000 0.209 718 L C 2.067 179.046 176.870 0.181 0.000 1.083 718 L CA 1.350 56.342 54.840 0.252 0.000 0.752 718 L CB -0.340 41.909 42.059 0.317 0.000 0.899 718 L HN -0.008 nan 8.230 nan 0.000 0.433 719 L N -1.609 119.681 121.223 0.110 0.000 2.072 719 L HA -0.124 4.217 4.340 0.002 0.000 0.205 719 L C 2.324 179.184 176.870 -0.017 0.000 1.079 719 L CA 1.408 56.241 54.840 -0.011 0.000 0.752 719 L CB -1.220 40.827 42.059 -0.021 0.000 0.906 719 L HN 0.149 nan 8.230 nan 0.000 0.436 720 T N 0.186 114.760 114.554 0.034 0.000 2.778 720 T HA -0.215 4.136 4.350 0.002 0.000 0.269 720 T C 2.002 176.748 174.700 0.075 0.000 1.050 720 T CA 1.401 63.515 62.100 0.025 0.000 1.137 720 T CB -0.208 68.756 68.868 0.161 0.000 0.860 720 T HN 0.465 nan 8.240 nan 0.000 0.468 721 A N 0.309 123.208 122.820 0.131 0.000 1.872 721 A HA -0.038 4.283 4.320 0.002 0.000 0.214 721 A C 2.065 179.698 177.584 0.081 0.000 1.187 721 A CA 1.292 53.418 52.037 0.149 0.000 0.614 721 A CB -1.032 18.079 19.000 0.186 0.000 0.826 721 A HN 0.562 nan 8.150 nan 0.000 0.442 722 Y N 0.629 120.886 120.300 -0.072 0.000 2.224 722 Y HA -0.208 4.343 4.550 0.002 0.000 0.289 722 Y C 2.370 178.213 175.900 -0.095 0.000 1.146 722 Y CA 2.332 60.377 58.100 -0.093 0.000 1.182 722 Y CB -0.103 38.058 38.460 -0.499 0.000 0.983 722 Y HN 0.313 nan 8.280 nan 0.000 0.524 723 K N -0.735 119.537 120.400 -0.212 0.000 2.097 723 K HA -0.138 4.183 4.320 0.002 0.000 0.205 723 K C 1.182 177.474 176.600 -0.514 0.000 1.050 723 K CA 1.379 57.421 56.287 -0.408 0.000 0.938 723 K CB -0.350 31.816 32.500 -0.556 0.000 0.718 723 K HN 0.293 nan 8.250 nan 0.000 0.442 724 F N 0.494 120.358 119.950 -0.143 0.000 2.804 724 F HA 0.226 4.753 4.527 0.001 0.000 0.303 724 F C 1.320 176.955 175.800 -0.275 0.000 1.154 724 F CA 0.558 58.459 58.000 -0.165 0.000 1.401 724 F CB 0.092 39.033 39.000 -0.098 0.000 1.106 724 F HN 0.283 nan 8.300 nan 0.000 0.568 725 G N 0.540 109.134 108.800 -0.343 0.000 2.160 725 G HA2 -0.260 3.701 3.960 0.002 0.000 0.244 725 G HA3 -0.260 3.701 3.960 0.002 0.000 0.244 725 G C 0.143 174.829 174.900 -0.356 0.000 1.022 725 G CA 0.033 44.705 45.100 -0.713 0.000 0.741 725 G HN 0.142 nan 8.290 nan 0.000 0.508 726 V N 0.046 119.886 119.914 -0.123 0.000 2.557 726 V HA 0.065 4.186 4.120 0.002 0.000 0.301 726 V C 1.790 177.940 176.094 0.093 0.000 1.026 726 V CA 1.498 63.801 62.300 0.005 0.000 1.137 726 V CB 1.190 33.054 31.823 0.069 0.000 0.917 726 V HN 0.511 nan 8.190 nan 0.000 0.484 727 K N 2.152 122.605 120.400 0.088 0.000 2.243 727 K HA 0.067 4.388 4.320 0.002 0.000 0.201 727 K C 0.600 177.298 176.600 0.162 0.000 1.051 727 K CA 1.052 57.425 56.287 0.143 0.000 0.970 727 K CB 0.259 32.820 32.500 0.100 0.000 0.755 727 K HN 0.955 nan 8.250 nan 0.000 0.465 728 T N -2.504 112.137 114.554 0.144 0.000 2.802 728 T HA 0.560 4.911 4.350 0.002 0.000 0.311 728 T C -0.822 173.971 174.700 0.154 0.000 1.405 728 T CA -1.059 61.137 62.100 0.160 0.000 1.016 728 T CB 1.409 70.354 68.868 0.129 0.000 1.352 728 T HN -0.123 nan 8.240 nan 0.000 0.498 732 Q N 1.570 121.524 119.800 0.258 0.000 2.325 732 Q HA 0.439 4.780 4.340 0.002 0.000 0.262 732 Q C -0.981 175.162 176.000 0.239 0.000 0.968 732 Q CA -0.649 55.310 55.803 0.259 0.000 0.877 732 Q CB 0.743 29.648 28.738 0.277 0.000 1.253 732 Q HN 0.745 nan 8.270 nan 0.000 0.448 733 N N 3.041 121.884 118.700 0.239 0.000 2.438 733 N HA 0.245 4.986 4.740 0.002 0.000 0.282 733 N C -1.136 174.620 175.510 0.411 0.000 1.037 733 N CA -0.236 52.985 53.050 0.285 0.000 0.942 733 N CB 1.747 40.389 38.487 0.259 0.000 1.136 733 N HN 0.485 nan 8.380 nan 0.000 0.481 734 T N 1.381 116.121 114.554 0.311 0.000 2.770 734 T HA 0.199 4.550 4.350 0.002 0.000 0.297 734 T C 0.681 175.451 174.700 0.116 0.000 0.997 734 T CA -0.662 61.581 62.100 0.239 0.000 0.949 734 T CB 1.265 70.210 68.868 0.128 0.000 0.941 734 T HN 0.310 nan 8.240 nan 0.000 0.457 735 R N 3.005 123.417 120.500 -0.146 0.000 2.638 735 R HA 0.117 4.458 4.340 0.002 0.000 0.268 735 R C -0.516 175.622 176.300 -0.271 0.000 1.006 735 R CA 0.352 56.121 56.100 -0.552 0.000 1.088 735 R CB 0.218 29.538 30.300 -1.635 0.000 0.950 735 R HN 0.768 nan 8.270 nan 0.000 0.419 736 D N 1.856 122.147 120.400 -0.182 0.000 2.732 736 D HA 0.729 5.370 4.640 0.002 0.000 0.229 736 D C -0.434 175.806 176.300 -0.100 0.000 1.152 736 D CA -0.453 53.481 54.000 -0.110 0.000 0.854 736 D CB 2.037 42.812 40.800 -0.041 0.000 1.590 736 D HN 0.699 nan 8.370 nan 0.000 0.468 737 G N 0.000 108.754 108.800 -0.077 0.000 5.446 737 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 737 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 737 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925