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 3ciy_1_B DATA FIRST_RESID 27 DATA SEQUENCE QcTVRYNVAD cSHLKLTHIP DDLPSNITVL NLTHNQLRRL PPTNFTRYSQ DATA SEQUENCE LAILDAGFNS ISKLEPELcQ ILPLLKVLNL QHNELSQISD QTFVFcTNLT DATA SEQUENCE ELDLMSNSIH KIKSNPFKNQ KNLIKLDLSH NGLSSTKLGT GVQLENLQEL DATA SEQUENCE LLAKNKILAL RSEELEFLGN SSLRKLDLSS NPLKEFSPGC FQTIGKLFAL DATA SEQUENCE LLNNAQLNPH LTEKLCWELS NTSIQNLSLA NNQLLATSES TFSGLKWTNL DATA SEQUENCE TQLDLSYNNL HDVGNGSFSY LPSLRYLSLE YNNIQRLSPR SFYGLSNLRY DATA SEQUENCE LSLKRAFTKQ SVSLASHPNI DDFSFQWLKY LEYLNMDDNN IPSTKSNTFT DATA SEQUENCE GLVSLKYLSL SKTFTSLQTL TNETFVSLAH SPLLTLNLTK NHISKIANGT DATA SEQUENCE FSWLGQLRIL DLGLNEIEQK LSGQEWRGLR NIFEIYLSYN KYLQLSTSSF DATA SEQUENCE ALVPSLQRLM LRRVALKNVD ISPSPFRPLR NLTILDLSNN NIANINEDLL DATA SEQUENCE EGLENLEILD FQHNNLARLW XXXNPGGPVN FLKGLSHLHI LNLESNGLDE DATA SEQUENCE IPVGVFKNLF ELKSINLGLN NLNKLEPFIF DDQTSLRSLN LQKNLITSVE DATA SEQUENCE KDVFGPPFQN LNSLDMRFNP FDcTcESISW FVNWINQTHT NISELSTHYL DATA SEQUENCE cNTPHHYYGF PLKLFDTSSc K 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 27 Q HA 0.000 nan 4.340 nan 0.000 0.214 27 Q C 0.000 176.012 176.000 0.020 0.000 1.003 27 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 27 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 28 c N 0.134 118.746 118.600 0.020 0.000 2.835 28 c HA 0.085 4.654 4.570 -0.002 0.000 0.340 28 c C 1.956 176.066 174.090 0.032 0.000 1.387 28 c CA 0.300 56.643 56.329 0.024 0.000 2.196 28 c CB -0.149 42.376 42.510 0.024 0.000 2.473 28 c HN 0.845 nan 8.230 nan 0.000 0.757 29 T N -0.549 114.026 114.554 0.035 0.000 3.039 29 T HA 0.144 4.493 4.350 -0.002 0.000 0.250 29 T C 1.238 175.974 174.700 0.060 0.000 1.052 29 T CA 0.871 62.996 62.100 0.041 0.000 1.125 29 T CB -0.176 68.712 68.868 0.033 0.000 0.908 29 T HN 0.646 nan 8.240 nan 0.000 0.473 30 V N -0.040 119.912 119.914 0.065 0.000 0.690 30 V HA -0.329 3.790 4.120 -0.002 0.000 0.092 30 V C 0.083 176.249 176.094 0.120 0.000 0.791 30 V CA 1.086 63.438 62.300 0.086 0.000 3.101 30 V CB -1.089 30.782 31.823 0.079 0.000 0.196 30 V HN 0.618 nan 8.190 nan 0.000 0.102 31 R N -0.096 120.503 120.500 0.165 0.000 2.448 31 R HA -0.139 4.200 4.340 -0.002 0.000 0.336 31 R C -0.528 176.133 176.300 0.602 0.000 1.038 31 R CA 1.070 57.400 56.100 0.383 0.000 0.804 31 R CB -2.297 28.202 30.300 0.331 0.000 2.350 31 R HN 1.739 nan 8.270 nan 0.000 0.484 32 Y N -0.999 119.300 120.300 -0.002 0.000 3.535 32 Y HA -0.331 4.218 4.550 -0.002 0.000 0.220 32 Y C 0.970 176.868 175.900 -0.004 0.000 1.477 32 Y CA 0.710 58.807 58.100 -0.005 0.000 1.658 32 Y CB -2.431 36.024 38.460 -0.007 0.000 1.552 32 Y HN 0.861 nan 8.280 nan 0.000 0.596 33 N N -3.266 115.495 118.700 0.101 0.000 2.909 33 N HA -0.170 4.568 4.740 -0.002 0.000 0.242 33 N C -0.347 175.203 175.510 0.068 0.000 0.975 33 N CA 0.536 53.626 53.050 0.067 0.000 0.921 33 N CB -1.200 37.315 38.487 0.047 0.000 1.112 33 N HN 0.462 nan 8.380 nan 0.000 0.581 34 V N -2.480 117.482 119.914 0.080 0.000 2.327 34 V HA 0.814 4.933 4.120 -0.002 0.000 0.272 34 V C 0.200 176.331 176.094 0.061 0.000 1.019 34 V CA -0.595 61.736 62.300 0.051 0.000 0.814 34 V CB 1.438 33.281 31.823 0.032 0.000 1.040 34 V HN 0.229 nan 8.190 nan 0.000 0.440 35 A N 3.308 126.167 122.820 0.066 0.000 2.437 35 A HA 0.422 4.741 4.320 -0.002 0.000 0.303 35 A C 0.155 177.755 177.584 0.027 0.000 1.324 35 A CA -0.060 52.020 52.037 0.072 0.000 0.983 35 A CB -0.034 19.041 19.000 0.125 0.000 1.142 35 A HN 0.871 nan 8.150 nan 0.000 0.541 36 D N 2.926 123.341 120.400 0.025 0.000 2.359 36 D HA 0.281 4.920 4.640 -0.002 0.000 0.230 36 D C -0.873 175.431 176.300 0.007 0.000 1.118 36 D CA -0.114 53.889 54.000 0.004 0.000 0.844 36 D CB 0.945 41.747 40.800 0.004 0.000 1.059 36 D HN 0.439 nan 8.370 nan 0.000 0.493 37 c N 4.060 122.654 118.600 -0.010 0.000 2.225 37 c HA 0.364 4.933 4.570 -0.002 0.000 0.323 37 c C 1.181 175.270 174.090 -0.001 0.000 1.164 37 c CA -0.771 55.554 56.329 -0.006 0.000 1.565 37 c CB -0.527 41.967 42.510 -0.026 0.000 2.124 37 c HN 0.520 nan 8.230 nan 0.000 0.461 38 S N 1.305 117.024 115.700 0.032 0.000 2.587 38 S HA 0.081 4.550 4.470 -0.002 0.000 0.252 38 S C 0.469 175.121 174.600 0.086 0.000 1.282 38 S CA -0.308 57.938 58.200 0.076 0.000 0.977 38 S CB 0.006 63.278 63.200 0.120 0.000 1.015 38 S HN 0.750 nan 8.310 nan 0.000 0.557 39 H N 0.988 120.090 119.070 0.052 0.000 3.191 39 H HA 0.037 4.591 4.556 -0.002 0.000 0.261 39 H C -0.325 175.021 175.328 0.030 0.000 1.013 39 H CA 0.018 56.100 56.048 0.057 0.000 1.457 39 H CB 0.049 29.812 29.762 0.002 0.000 1.535 39 H HN 0.147 nan 8.280 nan 0.000 0.518 40 L N 2.843 124.133 121.223 0.110 0.000 2.920 40 L HA 0.065 4.404 4.340 -0.002 0.000 0.257 40 L C 1.245 178.145 176.870 0.050 0.000 1.150 40 L CA 0.198 55.077 54.840 0.064 0.000 0.959 40 L CB 0.146 42.222 42.059 0.029 0.000 1.321 40 L HN 0.539 nan 8.230 nan 0.000 0.555 41 K N 0.492 120.930 120.400 0.063 0.000 3.281 41 K HA -0.165 4.154 4.320 -0.002 0.000 0.295 41 K C -0.026 176.592 176.600 0.029 0.000 1.233 41 K CA 0.304 56.623 56.287 0.053 0.000 0.866 41 K CB -1.699 30.830 32.500 0.049 0.000 1.265 41 K HN 0.231 nan 8.250 nan 0.000 0.482 42 L N 1.443 122.671 121.223 0.008 0.000 2.601 42 L HA -0.087 4.252 4.340 -0.002 0.000 0.277 42 L C 2.101 178.960 176.870 -0.017 0.000 1.219 42 L CA 0.945 55.765 54.840 -0.034 0.000 0.915 42 L CB 0.406 42.431 42.059 -0.057 0.000 1.160 42 L HN 0.332 nan 8.230 nan 0.000 0.494 43 T N -0.916 113.625 114.554 -0.021 0.000 2.866 43 T HA 0.007 4.356 4.350 -0.002 0.000 0.250 43 T C 0.507 175.276 174.700 0.115 0.000 1.033 43 T CA 0.272 62.420 62.100 0.080 0.000 1.145 43 T CB -0.009 68.977 68.868 0.196 0.000 0.866 43 T HN 0.656 nan 8.240 nan 0.000 0.434 44 H N 0.156 119.231 119.070 0.008 0.000 2.600 44 H HA 0.443 4.998 4.556 -0.002 0.000 0.357 44 H C -0.482 174.847 175.328 0.001 0.000 1.106 44 H CA -1.749 54.299 56.048 -0.000 0.000 1.193 44 H CB 0.869 30.629 29.762 -0.004 0.000 1.594 44 H HN 0.049 nan 8.280 nan 0.000 0.526 45 I N 5.103 125.677 120.570 0.007 0.000 3.076 45 I HA -0.057 4.112 4.170 -0.002 0.000 0.287 45 I C -2.008 174.087 176.117 -0.038 0.000 1.204 45 I CA -0.895 60.394 61.300 -0.019 0.000 1.370 45 I CB -0.267 37.747 38.000 0.024 0.000 1.444 45 I HN 0.543 nan 8.210 nan 0.000 0.549 46 P HA 0.232 nan 4.420 nan 0.000 0.278 46 P C -1.302 175.975 177.300 -0.038 0.000 1.238 46 P CA -0.237 62.818 63.100 -0.076 0.000 0.794 46 P CB 1.033 32.662 31.700 -0.119 0.000 0.955 47 D N 1.212 121.648 120.400 0.059 0.000 2.381 47 D HA 0.250 4.889 4.640 -0.002 0.000 0.245 47 D C -0.944 175.554 176.300 0.330 0.000 1.297 47 D CA -0.339 53.774 54.000 0.188 0.000 0.931 47 D CB 0.387 41.320 40.800 0.221 0.000 1.334 47 D HN 0.087 nan 8.370 nan 0.000 0.535 48 D N 1.023 121.624 120.400 0.335 0.000 2.437 48 D HA 0.176 4.815 4.640 -0.002 0.000 0.259 48 D C 1.920 178.306 176.300 0.143 0.000 1.118 48 D CA -0.817 53.307 54.000 0.205 0.000 1.017 48 D CB 1.618 42.498 40.800 0.132 0.000 1.120 48 D HN 0.017 nan 8.370 nan 0.000 0.541 49 L N 0.373 121.619 121.223 0.038 0.000 2.230 49 L HA -0.170 4.169 4.340 -0.002 0.000 0.217 49 L C -1.014 175.781 176.870 -0.126 0.000 1.090 49 L CA 1.735 56.547 54.840 -0.048 0.000 0.771 49 L CB -2.177 39.867 42.059 -0.026 0.000 0.892 49 L HN 0.288 nan 8.230 nan 0.000 0.438 50 P HA -0.015 nan 4.420 nan 0.000 0.238 50 P C 1.061 178.161 177.300 -0.333 0.000 1.649 50 P CA 0.326 63.363 63.100 -0.105 0.000 0.960 50 P CB -0.429 31.294 31.700 0.039 0.000 1.911 51 S N -0.991 114.431 115.700 -0.464 0.000 2.461 51 S HA -0.066 4.403 4.470 -0.002 0.000 0.228 51 S C 1.156 175.587 174.600 -0.281 0.000 1.005 51 S CA 0.096 57.937 58.200 -0.598 0.000 0.942 51 S CB -0.688 62.248 63.200 -0.439 0.000 0.776 51 S HN 0.145 nan 8.310 nan 0.000 0.514 52 N N 2.652 121.244 118.700 -0.180 0.000 2.895 52 N HA 0.293 5.032 4.740 -0.002 0.000 0.277 52 N C -0.420 175.047 175.510 -0.072 0.000 1.185 52 N CA -0.271 52.716 53.050 -0.105 0.000 1.106 52 N CB -0.306 38.128 38.487 -0.088 0.000 1.422 52 N HN 0.587 nan 8.380 nan 0.000 0.521 53 I N -1.042 119.497 120.570 -0.052 0.000 3.244 53 I HA 0.455 4.623 4.170 -0.002 0.000 0.314 53 I C -0.310 175.817 176.117 0.018 0.000 1.342 53 I CA -0.727 60.574 61.300 0.002 0.000 0.925 53 I CB 1.251 39.280 38.000 0.049 0.000 1.321 53 I HN 0.177 nan 8.210 nan 0.000 0.500 54 T N -0.877 113.695 114.554 0.030 0.000 3.192 54 T HA 0.618 4.966 4.350 -0.002 0.000 0.295 54 T C -0.088 174.621 174.700 0.014 0.000 0.947 54 T CA -0.143 61.969 62.100 0.020 0.000 0.916 54 T CB -0.264 68.611 68.868 0.012 0.000 1.169 54 T HN 0.686 nan 8.240 nan 0.000 0.540 55 V N 1.879 121.807 119.914 0.025 0.000 3.077 55 V HA 0.668 4.787 4.120 -0.002 0.000 0.299 55 V C -1.855 174.242 176.094 0.006 0.000 1.276 55 V CA -1.005 61.296 62.300 0.001 0.000 0.993 55 V CB 2.679 34.499 31.823 -0.005 0.000 1.076 55 V HN 0.397 nan 8.190 nan 0.000 0.434 56 L N 3.749 124.950 121.223 -0.038 0.000 2.516 56 L HA 0.584 4.923 4.340 -0.002 0.000 0.267 56 L C -1.443 175.379 176.870 -0.079 0.000 0.957 56 L CA -0.157 54.649 54.840 -0.058 0.000 0.860 56 L CB 2.012 43.998 42.059 -0.122 0.000 1.265 56 L HN 0.867 nan 8.230 nan 0.000 0.403 57 N N 5.713 124.376 118.700 -0.062 0.000 2.426 57 N HA 0.321 5.060 4.740 -0.002 0.000 0.257 57 N C -0.068 175.395 175.510 -0.078 0.000 1.002 57 N CA -0.239 52.767 53.050 -0.073 0.000 0.942 57 N CB 1.361 39.813 38.487 -0.058 0.000 1.112 57 N HN 0.860 nan 8.380 nan 0.000 0.499 58 L N 1.777 122.945 121.223 -0.092 0.000 2.817 58 L HA 0.150 4.489 4.340 -0.002 0.000 0.248 58 L C 0.589 177.399 176.870 -0.100 0.000 1.133 58 L CA 0.015 54.808 54.840 -0.078 0.000 0.935 58 L CB 0.286 42.310 42.059 -0.059 0.000 1.266 58 L HN 0.412 nan 8.230 nan 0.000 0.535 59 T N 0.113 114.568 114.554 -0.165 0.000 2.908 59 T HA -0.050 4.298 4.350 -0.002 0.000 0.325 59 T C 0.171 174.666 174.700 -0.343 0.000 1.092 59 T CA 0.508 62.419 62.100 -0.314 0.000 1.125 59 T CB 0.012 68.572 68.868 -0.514 0.000 1.016 59 T HN 0.289 nan 8.240 nan 0.000 0.550 60 H N 0.525 119.489 119.070 -0.177 0.000 2.889 60 H HA -0.127 4.427 4.556 -0.002 0.000 0.324 60 H C -0.279 174.958 175.328 -0.151 0.000 1.274 60 H CA 0.444 56.314 56.048 -0.296 0.000 1.176 60 H CB -1.761 27.382 29.762 -1.032 0.000 1.479 60 H HN 0.575 nan 8.280 nan 0.000 0.438 61 N N 0.023 118.745 118.700 0.037 0.000 2.708 61 N HA 0.242 4.980 4.740 -0.002 0.000 0.257 61 N C -0.712 174.829 175.510 0.051 0.000 1.373 61 N CA -0.805 52.270 53.050 0.042 0.000 0.843 61 N CB 1.337 39.829 38.487 0.008 0.000 1.503 61 N HN 0.146 nan 8.380 nan 0.000 0.504 62 Q N 0.894 120.723 119.800 0.048 0.000 2.323 62 Q HA 0.409 4.748 4.340 -0.002 0.000 0.257 62 Q C -1.081 174.940 176.000 0.035 0.000 1.022 62 Q CA -0.215 55.615 55.803 0.046 0.000 0.919 62 Q CB 0.593 29.359 28.738 0.047 0.000 1.220 62 Q HN 0.244 nan 8.270 nan 0.000 0.427 63 L N 2.509 123.752 121.223 0.034 0.000 2.325 63 L HA 0.321 4.660 4.340 -0.002 0.000 0.281 63 L C 1.093 177.980 176.870 0.028 0.000 1.004 63 L CA -0.042 54.816 54.840 0.030 0.000 0.823 63 L CB 1.420 43.497 42.059 0.031 0.000 1.236 63 L HN 0.557 nan 8.230 nan 0.000 0.415 64 R N 2.707 123.223 120.500 0.027 0.000 2.082 64 R HA 0.040 4.379 4.340 -0.002 0.000 0.228 64 R C 0.163 176.471 176.300 0.012 0.000 1.140 64 R CA 1.454 57.565 56.100 0.020 0.000 0.920 64 R CB 0.303 30.615 30.300 0.020 0.000 0.828 64 R HN 0.710 nan 8.270 nan 0.000 0.430 65 R N -1.096 119.409 120.500 0.008 0.000 2.741 65 R HA 0.180 4.519 4.340 -0.002 0.000 0.274 65 R C -1.447 174.850 176.300 -0.004 0.000 1.029 65 R CA -0.728 55.373 56.100 0.002 0.000 0.880 65 R CB 0.480 30.774 30.300 -0.011 0.000 1.264 65 R HN 0.079 nan 8.270 nan 0.000 0.465 66 L N 1.968 123.190 121.223 -0.002 0.000 2.282 66 L HA 0.343 4.682 4.340 -0.002 0.000 0.287 66 L C -2.024 174.751 176.870 -0.158 0.000 1.075 66 L CA -1.976 52.854 54.840 -0.017 0.000 0.839 66 L CB 1.310 43.428 42.059 0.098 0.000 1.219 66 L HN 0.277 nan 8.230 nan 0.000 0.434 67 P HA 0.009 nan 4.420 nan 0.000 0.258 67 P C -1.753 175.200 177.300 -0.579 0.000 1.214 67 P CA -0.829 62.060 63.100 -0.351 0.000 0.872 67 P CB 0.162 31.671 31.700 -0.320 0.000 0.890 68 P HA -0.165 nan 4.420 nan 0.000 0.226 68 P C 0.753 177.914 177.300 -0.232 0.000 1.146 68 P CA 1.518 64.471 63.100 -0.245 0.000 0.773 68 P CB -0.083 31.550 31.700 -0.111 0.000 0.772 69 T N -5.818 108.582 114.554 -0.257 0.000 2.971 69 T HA 0.149 4.497 4.350 -0.002 0.000 0.252 69 T C 1.302 175.911 174.700 -0.152 0.000 1.022 69 T CA -0.038 61.970 62.100 -0.153 0.000 0.980 69 T CB -0.889 67.918 68.868 -0.102 0.000 1.044 69 T HN -0.075 nan 8.240 nan 0.000 0.501 70 N N 1.036 119.554 118.700 -0.304 0.000 2.575 70 N HA 0.173 4.912 4.740 -0.002 0.000 0.192 70 N C -0.625 174.890 175.510 0.008 0.000 1.200 70 N CA 0.220 53.160 53.050 -0.183 0.000 0.897 70 N CB -0.378 37.970 38.487 -0.231 0.000 0.990 70 N HN 0.362 nan 8.380 nan 0.000 0.449 71 F N -0.646 119.322 119.950 0.030 0.000 2.983 71 F HA 0.328 4.854 4.527 -0.002 0.000 0.307 71 F C 1.292 177.138 175.800 0.078 0.000 1.218 71 F CA -0.546 57.488 58.000 0.056 0.000 1.323 71 F CB -0.366 38.652 39.000 0.029 0.000 0.989 71 F HN -0.088 nan 8.300 nan 0.000 0.509 72 T N -1.801 112.896 114.554 0.239 0.000 3.018 72 T HA 0.010 4.359 4.350 -0.002 0.000 0.246 72 T C 2.118 176.904 174.700 0.143 0.000 1.026 72 T CA 0.186 62.375 62.100 0.148 0.000 1.081 72 T CB 0.222 69.140 68.868 0.084 0.000 0.970 72 T HN 0.211 nan 8.240 nan 0.000 0.475 73 R N 0.166 120.785 120.500 0.198 0.000 2.280 73 R HA 0.020 4.358 4.340 -0.002 0.000 0.207 73 R C -0.531 175.801 176.300 0.054 0.000 1.043 73 R CA 0.860 57.045 56.100 0.141 0.000 1.006 73 R CB 0.097 30.528 30.300 0.219 0.000 0.885 73 R HN 0.309 nan 8.270 nan 0.000 0.467 74 Y N -0.917 119.422 120.300 0.066 0.000 2.705 74 Y HA 0.225 4.774 4.550 -0.002 0.000 0.355 74 Y C 0.231 176.140 175.900 0.015 0.000 1.039 74 Y CA -0.686 57.429 58.100 0.026 0.000 1.233 74 Y CB 1.685 40.147 38.460 0.002 0.000 1.103 74 Y HN -0.139 nan 8.280 nan 0.000 0.624 75 S N 0.745 116.497 115.700 0.086 0.000 2.568 75 S HA 0.109 4.578 4.470 -0.002 0.000 0.232 75 S C 1.205 175.824 174.600 0.033 0.000 0.975 75 S CA 0.094 58.331 58.200 0.063 0.000 0.949 75 S CB 0.214 63.440 63.200 0.044 0.000 0.829 75 S HN 0.639 nan 8.310 nan 0.000 0.479 76 Q N 0.349 120.166 119.800 0.027 0.000 2.378 76 Q HA 0.294 4.633 4.340 -0.002 0.000 0.229 76 Q C 0.145 176.156 176.000 0.017 0.000 0.882 76 Q CA 0.027 55.836 55.803 0.011 0.000 0.936 76 Q CB 0.230 28.959 28.738 -0.014 0.000 1.092 76 Q HN 0.498 nan 8.270 nan 0.000 0.535 77 L N 1.315 122.556 121.223 0.030 0.000 2.640 77 L HA -0.095 4.244 4.340 -0.002 0.000 0.280 77 L C 1.256 178.115 176.870 -0.017 0.000 1.229 77 L CA -0.011 54.831 54.840 0.003 0.000 0.919 77 L CB 0.212 42.249 42.059 -0.038 0.000 1.168 77 L HN 0.103 nan 8.230 nan 0.000 0.496 78 A N 6.060 128.872 122.820 -0.014 0.000 1.997 78 A HA 0.290 4.609 4.320 -0.002 0.000 0.212 78 A C 0.707 178.275 177.584 -0.027 0.000 1.178 78 A CA 0.620 52.648 52.037 -0.015 0.000 0.698 78 A CB 0.133 19.127 19.000 -0.009 0.000 0.842 78 A HN 0.741 nan 8.150 nan 0.000 0.458 79 I N -3.129 117.419 120.570 -0.038 0.000 3.006 79 I HA 0.662 4.831 4.170 -0.002 0.000 0.306 79 I C -1.398 174.679 176.117 -0.068 0.000 1.250 79 I CA -1.385 59.886 61.300 -0.048 0.000 0.996 79 I CB 2.287 40.262 38.000 -0.041 0.000 1.261 79 I HN 0.119 nan 8.210 nan 0.000 0.442 80 L N 0.604 121.781 121.223 -0.075 0.000 2.476 80 L HA 0.622 4.961 4.340 -0.002 0.000 0.269 80 L C -1.386 175.438 176.870 -0.078 0.000 0.965 80 L CA -0.447 54.336 54.840 -0.095 0.000 0.845 80 L CB 1.965 43.939 42.059 -0.141 0.000 1.259 80 L HN 0.533 nan 8.230 nan 0.000 0.403 81 D N 4.125 124.475 120.400 -0.084 0.000 2.455 81 D HA 0.397 5.036 4.640 -0.002 0.000 0.234 81 D C -0.015 176.229 176.300 -0.093 0.000 1.224 81 D CA 0.377 54.320 54.000 -0.095 0.000 0.999 81 D CB 1.336 42.070 40.800 -0.111 0.000 1.072 81 D HN 0.756 nan 8.370 nan 0.000 0.514 82 A N 2.679 125.463 122.820 -0.061 0.000 3.105 82 A HA 0.630 4.949 4.320 -0.002 0.000 0.336 82 A C 0.414 178.000 177.584 0.003 0.000 1.042 82 A CA -0.483 51.536 52.037 -0.030 0.000 0.851 82 A CB 0.718 19.717 19.000 -0.002 0.000 1.068 82 A HN 0.402 nan 8.150 nan 0.000 0.477 83 G N -1.492 107.308 108.800 -0.000 0.000 2.798 83 G HA2 0.569 4.528 3.960 -0.002 0.000 0.286 83 G HA3 0.569 4.528 3.960 -0.002 0.000 0.286 83 G C -0.138 174.883 174.900 0.202 0.000 1.389 83 G CA -0.828 44.331 45.100 0.098 0.000 0.894 83 G HN 0.691 nan 8.290 nan 0.000 0.488 84 F N -0.755 119.156 119.950 -0.065 0.000 3.074 84 F HA -0.200 4.326 4.527 -0.002 0.000 0.289 84 F C 0.372 176.158 175.800 -0.023 0.000 0.863 84 F CA 0.580 58.564 58.000 -0.026 0.000 1.121 84 F CB -1.057 37.843 39.000 -0.167 0.000 1.169 84 F HN 0.346 nan 8.300 nan 0.000 0.570 85 N N -0.613 118.141 118.700 0.090 0.000 2.321 85 N HA 0.361 5.100 4.740 -0.002 0.000 0.290 85 N C -0.548 174.980 175.510 0.031 0.000 1.212 85 N CA -0.708 52.377 53.050 0.057 0.000 0.767 85 N CB 1.909 40.423 38.487 0.045 0.000 1.494 85 N HN -0.155 nan 8.380 nan 0.000 0.479 86 S N 1.160 116.876 115.700 0.026 0.000 3.530 86 S HA 0.346 4.815 4.470 -0.002 0.000 0.279 86 S C 0.423 175.033 174.600 0.017 0.000 1.280 86 S CA -0.370 57.838 58.200 0.014 0.000 0.946 86 S CB -0.875 62.334 63.200 0.014 0.000 1.501 86 S HN 0.308 nan 8.310 nan 0.000 0.498 87 I N 2.670 123.252 120.570 0.019 0.000 2.328 87 I HA 0.134 4.303 4.170 -0.002 0.000 0.287 87 I C 1.504 177.631 176.117 0.017 0.000 1.012 87 I CA -0.470 60.844 61.300 0.023 0.000 1.195 87 I CB 1.426 39.449 38.000 0.037 0.000 1.350 87 I HN 0.512 nan 8.210 nan 0.000 0.464 88 S N 6.014 121.721 115.700 0.011 0.000 2.354 88 S HA -0.107 4.362 4.470 -0.002 0.000 0.219 88 S C 0.801 175.404 174.600 0.006 0.000 1.035 88 S CA 0.920 59.123 58.200 0.006 0.000 1.037 88 S CB -0.077 63.124 63.200 0.001 0.000 0.956 88 S HN 0.721 nan 8.310 nan 0.000 0.428 89 K N -0.091 120.310 120.400 0.002 0.000 2.533 89 K HA 0.684 5.003 4.320 -0.002 0.000 0.284 89 K C -1.981 174.616 176.600 -0.006 0.000 1.025 89 K CA -1.059 55.224 56.287 -0.006 0.000 0.900 89 K CB 1.223 33.712 32.500 -0.017 0.000 1.519 89 K HN 0.328 nan 8.250 nan 0.000 0.432 90 L N 0.979 122.190 121.223 -0.020 0.000 2.410 90 L HA 0.434 4.773 4.340 -0.002 0.000 0.270 90 L C -1.181 175.664 176.870 -0.042 0.000 0.983 90 L CA -0.131 54.700 54.840 -0.015 0.000 0.822 90 L CB 2.026 44.089 42.059 0.008 0.000 1.285 90 L HN 0.737 nan 8.230 nan 0.000 0.409 91 E N 5.025 125.211 120.200 -0.024 0.000 2.313 91 E HA 0.372 4.721 4.350 -0.002 0.000 0.272 91 E C -1.926 174.678 176.600 0.006 0.000 1.038 91 E CA -1.504 54.882 56.400 -0.022 0.000 0.863 91 E CB 0.892 30.576 29.700 -0.026 0.000 1.060 91 E HN 0.392 nan 8.360 nan 0.000 0.402 92 P HA -0.156 nan 4.420 nan 0.000 0.229 92 P C 0.362 177.733 177.300 0.120 0.000 1.150 92 P CA 0.888 64.087 63.100 0.166 0.000 0.765 92 P CB 0.304 32.175 31.700 0.284 0.000 0.783 93 E N -0.175 120.013 120.200 -0.020 0.000 2.051 93 E HA -0.150 4.199 4.350 -0.002 0.000 0.192 93 E C 1.839 178.407 176.600 -0.054 0.000 0.991 93 E CA 1.161 57.483 56.400 -0.131 0.000 0.799 93 E CB -0.990 28.652 29.700 -0.097 0.000 0.748 93 E HN 0.295 nan 8.360 nan 0.000 0.449 94 L N 0.510 121.769 121.223 0.061 0.000 2.263 94 L HA -0.190 4.149 4.340 -0.002 0.000 0.216 94 L C 2.491 179.471 176.870 0.184 0.000 1.111 94 L CA 1.116 56.070 54.840 0.190 0.000 0.773 94 L CB -0.695 41.524 42.059 0.267 0.000 0.906 94 L HN 0.154 nan 8.230 nan 0.000 0.439 95 c N -0.693 118.008 118.600 0.169 0.000 2.485 95 c HA -0.058 4.510 4.570 -0.002 0.000 0.278 95 c C 2.725 176.915 174.090 0.167 0.000 1.356 95 c CA 0.570 57.029 56.329 0.217 0.000 1.747 95 c CB -0.666 42.057 42.510 0.355 0.000 2.001 95 c HN 0.699 nan 8.230 nan 0.000 0.501 96 Q N 0.197 119.998 119.800 0.000 0.000 2.398 96 Q HA 0.061 4.400 4.340 -0.002 0.000 0.204 96 Q C 1.617 177.593 176.000 -0.040 0.000 0.932 96 Q CA 0.983 56.734 55.803 -0.087 0.000 0.916 96 Q CB -0.128 28.260 28.738 -0.584 0.000 1.024 96 Q HN 0.420 nan 8.270 nan 0.000 0.504 97 I N 0.778 121.346 120.570 -0.002 0.000 2.617 97 I HA -0.012 4.157 4.170 -0.002 0.000 0.256 97 I C 0.602 176.769 176.117 0.084 0.000 1.167 97 I CA 0.623 61.955 61.300 0.054 0.000 1.469 97 I CB -0.262 37.814 38.000 0.127 0.000 1.098 97 I HN 0.256 nan 8.210 nan 0.000 0.436 98 L N 1.730 123.004 121.223 0.084 0.000 2.556 98 L HA 0.325 4.663 4.340 -0.002 0.000 0.243 98 L C -1.671 175.236 176.870 0.062 0.000 1.331 98 L CA -1.256 53.620 54.840 0.060 0.000 0.927 98 L CB 0.311 42.384 42.059 0.023 0.000 1.219 98 L HN -0.104 nan 8.230 nan 0.000 0.490 99 P HA -0.124 nan 4.420 nan 0.000 0.218 99 P C 0.617 177.950 177.300 0.055 0.000 1.148 99 P CA 0.995 64.139 63.100 0.073 0.000 0.822 99 P CB 0.291 32.031 31.700 0.066 0.000 0.784 100 L N -0.028 121.218 121.223 0.038 0.000 2.387 100 L HA 0.248 4.587 4.340 -0.002 0.000 0.267 100 L C 0.067 176.947 176.870 0.016 0.000 1.197 100 L CA 0.631 55.485 54.840 0.024 0.000 1.070 100 L CB -0.746 41.323 42.059 0.017 0.000 1.349 100 L HN -0.019 nan 8.230 nan 0.000 0.422 101 L N 2.364 123.598 121.223 0.019 0.000 2.528 101 L HA 0.368 4.707 4.340 -0.002 0.000 0.267 101 L C 0.459 177.331 176.870 0.003 0.000 0.961 101 L CA -0.184 54.661 54.840 0.008 0.000 0.866 101 L CB 1.735 43.806 42.059 0.020 0.000 1.248 101 L HN 0.466 nan 8.230 nan 0.000 0.404 102 K N 2.622 123.015 120.400 -0.012 0.000 2.306 102 K HA 0.276 4.595 4.320 -0.002 0.000 0.200 102 K C -0.291 176.289 176.600 -0.034 0.000 1.083 102 K CA 0.341 56.615 56.287 -0.020 0.000 0.959 102 K CB 0.959 33.447 32.500 -0.020 0.000 0.994 102 K HN 0.323 nan 8.250 nan 0.000 0.492 103 V N 2.902 122.795 119.914 -0.035 0.000 2.384 103 V HA 0.262 4.380 4.120 -0.002 0.000 0.287 103 V C -1.130 174.940 176.094 -0.040 0.000 1.020 103 V CA -0.799 61.475 62.300 -0.044 0.000 0.850 103 V CB 1.513 33.310 31.823 -0.043 0.000 0.987 103 V HN 0.099 nan 8.190 nan 0.000 0.436 104 L N 5.336 126.534 121.223 -0.041 0.000 2.324 104 L HA 0.580 4.919 4.340 -0.002 0.000 0.274 104 L C -0.315 176.547 176.870 -0.014 0.000 1.012 104 L CA -0.140 54.690 54.840 -0.017 0.000 0.859 104 L CB 1.171 43.233 42.059 0.005 0.000 1.224 104 L HN 0.672 nan 8.230 nan 0.000 0.429 105 N N 4.734 123.426 118.700 -0.014 0.000 2.439 105 N HA 0.430 5.168 4.740 -0.002 0.000 0.249 105 N C -0.953 174.568 175.510 0.018 0.000 1.003 105 N CA -0.177 52.867 53.050 -0.011 0.000 0.942 105 N CB 0.720 39.185 38.487 -0.036 0.000 1.115 105 N HN 0.544 nan 8.380 nan 0.000 0.505 106 L N 3.103 124.349 121.223 0.040 0.000 2.913 106 L HA 0.240 4.578 4.340 -0.002 0.000 0.283 106 L C -0.130 176.778 176.870 0.063 0.000 1.336 106 L CA -0.311 54.569 54.840 0.065 0.000 0.815 106 L CB 0.238 42.359 42.059 0.103 0.000 1.188 106 L HN 0.655 nan 8.230 nan 0.000 0.551 107 Q N -1.293 118.538 119.800 0.051 0.000 2.227 107 Q HA 0.430 4.769 4.340 -0.002 0.000 0.245 107 Q C -0.365 175.677 176.000 0.069 0.000 0.926 107 Q CA -0.463 55.368 55.803 0.045 0.000 0.895 107 Q CB 0.613 29.340 28.738 -0.018 0.000 1.230 107 Q HN 0.361 nan 8.270 nan 0.000 0.450 108 H N 0.372 119.347 119.070 -0.158 0.000 2.819 108 H HA -0.151 4.404 4.556 -0.002 0.000 0.315 108 H C -1.059 174.140 175.328 -0.214 0.000 1.242 108 H CA 0.299 56.154 56.048 -0.323 0.000 1.157 108 H CB -1.288 27.999 29.762 -0.792 0.000 1.451 108 H HN 0.744 nan 8.280 nan 0.000 0.430 109 N N -0.394 118.298 118.700 -0.013 0.000 2.701 109 N HA 0.149 4.888 4.740 -0.002 0.000 0.290 109 N C 0.739 176.238 175.510 -0.019 0.000 1.338 109 N CA -0.749 52.296 53.050 -0.009 0.000 0.799 109 N CB 1.000 39.504 38.487 0.028 0.000 1.491 109 N HN 0.073 nan 8.380 nan 0.000 0.540 110 E N 0.546 120.743 120.200 -0.005 0.000 2.004 110 E HA 0.072 4.421 4.350 -0.002 0.000 0.193 110 E C 0.108 176.716 176.600 0.014 0.000 0.985 110 E CA 0.569 56.968 56.400 -0.001 0.000 0.832 110 E CB -0.519 29.184 29.700 0.004 0.000 0.787 110 E HN 0.461 nan 8.360 nan 0.000 0.466 111 L N 2.459 123.695 121.223 0.022 0.000 3.995 111 L HA -0.230 4.109 4.340 -0.002 0.000 0.513 111 L C 1.077 177.967 176.870 0.034 0.000 1.147 111 L CA -0.230 54.627 54.840 0.029 0.000 0.703 111 L CB -1.608 40.479 42.059 0.046 0.000 1.306 111 L HN 0.015 nan 8.230 nan 0.000 0.779 112 S N -0.274 115.449 115.700 0.038 0.000 2.356 112 S HA -0.138 4.330 4.470 -0.002 0.000 0.223 112 S C 0.841 175.482 174.600 0.068 0.000 1.032 112 S CA 1.948 60.189 58.200 0.068 0.000 1.005 112 S CB -0.049 63.192 63.200 0.069 0.000 0.867 112 S HN 0.831 nan 8.310 nan 0.000 0.449 113 Q N -0.866 118.953 119.800 0.033 0.000 2.456 113 Q HA 0.813 5.152 4.340 -0.002 0.000 0.283 113 Q C -1.147 174.842 176.000 -0.018 0.000 1.084 113 Q CA -0.834 54.978 55.803 0.015 0.000 0.801 113 Q CB 2.151 30.894 28.738 0.007 0.000 1.434 113 Q HN 0.311 nan 8.270 nan 0.000 0.419 114 I N 0.629 121.175 120.570 -0.042 0.000 2.842 114 I HA 0.438 4.607 4.170 -0.002 0.000 0.296 114 I C -1.651 174.389 176.117 -0.127 0.000 1.538 114 I CA -0.193 61.050 61.300 -0.096 0.000 0.994 114 I CB 2.420 40.353 38.000 -0.112 0.000 1.372 114 I HN 1.047 nan 8.210 nan 0.000 0.478 115 S N 1.963 117.562 115.700 -0.169 0.000 2.745 115 S HA 0.452 4.921 4.470 -0.002 0.000 0.306 115 S C 0.337 174.797 174.600 -0.234 0.000 1.137 115 S CA 0.048 58.142 58.200 -0.177 0.000 0.900 115 S CB 1.453 64.578 63.200 -0.125 0.000 1.176 115 S HN 0.778 nan 8.310 nan 0.000 0.520 116 D N 0.658 120.934 120.400 -0.207 0.000 2.220 116 D HA -0.247 4.392 4.640 -0.002 0.000 0.198 116 D C 1.633 177.837 176.300 -0.160 0.000 1.001 116 D CA 1.476 55.361 54.000 -0.191 0.000 0.875 116 D CB -0.343 40.371 40.800 -0.143 0.000 0.921 116 D HN 0.387 nan 8.370 nan 0.000 0.454 117 Q N -0.104 119.611 119.800 -0.143 0.000 2.077 117 Q HA -0.220 4.119 4.340 -0.002 0.000 0.206 117 Q C 2.389 178.327 176.000 -0.104 0.000 0.989 117 Q CA 1.907 57.651 55.803 -0.099 0.000 0.853 117 Q CB -1.238 27.463 28.738 -0.062 0.000 0.907 117 Q HN 0.524 nan 8.270 nan 0.000 0.418 118 T N -0.318 114.086 114.554 -0.251 0.000 2.721 118 T HA -0.179 4.170 4.350 -0.002 0.000 0.268 118 T C 0.743 175.247 174.700 -0.326 0.000 1.038 118 T CA 1.357 63.214 62.100 -0.406 0.000 1.145 118 T CB -0.101 68.281 68.868 -0.810 0.000 0.858 118 T HN 0.203 nan 8.240 nan 0.000 0.459 119 F N -0.377 119.614 119.950 0.069 0.000 2.688 119 F HA 0.431 4.957 4.527 -0.002 0.000 0.310 119 F C 1.677 177.503 175.800 0.044 0.000 1.098 119 F CA -0.853 57.209 58.000 0.102 0.000 1.228 119 F CB -0.190 38.897 39.000 0.144 0.000 1.042 119 F HN -0.057 nan 8.300 nan 0.000 0.557 120 V N -0.173 119.777 119.914 0.059 0.000 2.546 120 V HA -0.301 3.818 4.120 -0.002 0.000 0.254 120 V C 1.679 177.572 176.094 -0.334 0.000 1.076 120 V CA 2.005 64.176 62.300 -0.214 0.000 1.087 120 V CB -0.799 30.732 31.823 -0.486 0.000 0.674 120 V HN 0.277 nan 8.190 nan 0.000 0.470 121 F N -1.941 118.072 119.950 0.106 0.000 2.727 121 F HA 0.236 4.762 4.527 -0.002 0.000 0.302 121 F C 1.116 176.976 175.800 0.101 0.000 1.097 121 F CA -0.159 57.895 58.000 0.089 0.000 1.330 121 F CB -0.210 38.836 39.000 0.076 0.000 1.084 121 F HN 0.024 nan 8.300 nan 0.000 0.578 122 c N 1.733 120.482 118.600 0.248 0.000 2.185 122 c HA 0.265 4.833 4.570 -0.002 0.000 0.357 122 c C 1.706 175.864 174.090 0.113 0.000 1.053 122 c CA -0.175 56.266 56.329 0.185 0.000 1.552 122 c CB -1.505 41.133 42.510 0.214 0.000 1.679 122 c HN 0.577 nan 8.230 nan 0.000 0.453 123 T N -2.178 112.428 114.554 0.087 0.000 3.022 123 T HA 0.044 4.393 4.350 -0.002 0.000 0.250 123 T C 1.167 175.889 174.700 0.037 0.000 1.060 123 T CA 0.551 62.683 62.100 0.054 0.000 1.013 123 T CB -0.105 68.790 68.868 0.045 0.000 0.982 123 T HN 0.482 nan 8.240 nan 0.000 0.508 124 N N 0.719 119.443 118.700 0.040 0.000 2.325 124 N HA 0.200 4.939 4.740 -0.002 0.000 0.182 124 N C 0.240 175.755 175.510 0.007 0.000 1.088 124 N CA -0.111 52.953 53.050 0.023 0.000 0.879 124 N CB 0.085 38.589 38.487 0.029 0.000 0.983 124 N HN 0.326 nan 8.380 nan 0.000 0.471 125 L N 2.115 123.341 121.223 0.004 0.000 2.601 125 L HA -0.042 4.296 4.340 -0.002 0.000 0.277 125 L C 1.478 178.319 176.870 -0.049 0.000 1.219 125 L CA 0.922 55.746 54.840 -0.027 0.000 0.915 125 L CB 0.596 42.627 42.059 -0.047 0.000 1.160 125 L HN 0.140 nan 8.230 nan 0.000 0.494 126 T N 0.162 114.684 114.554 -0.053 0.000 2.955 126 T HA 0.232 4.581 4.350 -0.002 0.000 0.251 126 T C 0.454 175.109 174.700 -0.076 0.000 1.002 126 T CA -0.073 61.993 62.100 -0.058 0.000 0.970 126 T CB -0.011 68.834 68.868 -0.039 0.000 1.091 126 T HN 0.572 nan 8.240 nan 0.000 0.495 127 E N 0.510 120.661 120.200 -0.082 0.000 2.244 127 E HA 0.529 4.877 4.350 -0.002 0.000 0.260 127 E C -2.105 174.429 176.600 -0.109 0.000 0.884 127 E CA -0.863 55.484 56.400 -0.088 0.000 0.777 127 E CB 1.630 31.292 29.700 -0.063 0.000 1.197 127 E HN 0.180 nan 8.360 nan 0.000 0.416 128 L N 4.610 125.747 121.223 -0.142 0.000 2.319 128 L HA 0.461 4.800 4.340 -0.002 0.000 0.281 128 L C -1.345 175.461 176.870 -0.106 0.000 1.005 128 L CA -0.407 54.334 54.840 -0.164 0.000 0.828 128 L CB 1.494 43.376 42.059 -0.296 0.000 1.227 128 L HN 0.434 nan 8.230 nan 0.000 0.415 129 D N 5.283 125.649 120.400 -0.057 0.000 2.381 129 D HA 0.514 5.153 4.640 -0.002 0.000 0.235 129 D C -1.325 174.986 176.300 0.017 0.000 1.068 129 D CA 0.015 54.001 54.000 -0.023 0.000 0.832 129 D CB 0.862 41.648 40.800 -0.022 0.000 1.101 129 D HN 0.518 nan 8.370 nan 0.000 0.515 130 L N 4.903 126.145 121.223 0.031 0.000 2.529 130 L HA 0.352 4.690 4.340 -0.002 0.000 0.260 130 L C 0.697 177.605 176.870 0.063 0.000 0.997 130 L CA -0.297 54.581 54.840 0.063 0.000 0.885 130 L CB 1.710 43.827 42.059 0.097 0.000 1.185 130 L HN 0.379 nan 8.230 nan 0.000 0.442 131 M N 0.431 120.075 119.600 0.073 0.000 2.691 131 M HA 0.244 4.723 4.480 -0.002 0.000 0.261 131 M C 0.196 176.551 176.300 0.093 0.000 1.227 131 M CA 1.109 56.472 55.300 0.104 0.000 1.197 131 M CB 0.929 33.599 32.600 0.117 0.000 1.294 131 M HN 0.434 nan 8.290 nan 0.000 0.508 132 S N 1.460 117.200 115.700 0.067 0.000 2.130 132 S HA 0.338 4.807 4.470 -0.002 0.000 0.165 132 S C -0.720 173.822 174.600 -0.096 0.000 1.677 132 S CA -0.612 57.508 58.200 -0.134 0.000 1.227 132 S CB -0.011 62.939 63.200 -0.416 0.000 1.115 132 S HN 0.456 nan 8.310 nan 0.000 0.452 133 N N 0.599 119.273 118.700 -0.044 0.000 2.194 133 N HA 0.042 4.780 4.740 -0.002 0.000 0.231 133 N C 0.060 175.547 175.510 -0.038 0.000 1.247 133 N CA -0.120 52.916 53.050 -0.023 0.000 0.884 133 N CB 0.713 39.213 38.487 0.021 0.000 1.146 133 N HN 0.417 nan 8.380 nan 0.000 0.516 134 S N 0.304 115.951 115.700 -0.088 0.000 3.317 134 S HA -0.255 4.214 4.470 -0.002 0.000 0.358 134 S C 0.075 174.522 174.600 -0.256 0.000 0.945 134 S CA 0.267 58.325 58.200 -0.237 0.000 1.279 134 S CB -2.292 60.837 63.200 -0.118 0.000 0.905 134 S HN 0.393 nan 8.310 nan 0.000 0.507 135 I N 1.850 122.329 120.570 -0.151 0.000 2.224 135 I HA 0.237 4.406 4.170 -0.002 0.000 0.293 135 I C 1.496 177.585 176.117 -0.047 0.000 1.155 135 I CA -0.770 60.516 61.300 -0.023 0.000 1.297 135 I CB -0.017 38.000 38.000 0.029 0.000 1.487 135 I HN 0.364 nan 8.210 nan 0.000 0.564 136 H N 3.378 122.463 119.070 0.026 0.000 2.387 136 H HA -0.021 4.534 4.556 -0.002 0.000 0.299 136 H C 0.192 175.529 175.328 0.015 0.000 1.099 136 H CA 1.190 57.250 56.048 0.021 0.000 1.315 136 H CB -0.086 29.684 29.762 0.012 0.000 1.380 136 H HN 0.435 nan 8.280 nan 0.000 0.513 137 K N 0.005 120.482 120.400 0.128 0.000 2.444 137 K HA 0.619 4.937 4.320 -0.002 0.000 0.252 137 K C -1.197 175.422 176.600 0.032 0.000 0.993 137 K CA -0.707 55.618 56.287 0.064 0.000 0.847 137 K CB 2.975 35.504 32.500 0.047 0.000 1.340 137 K HN -0.126 nan 8.250 nan 0.000 0.446 138 I N 1.560 122.133 120.570 0.005 0.000 2.548 138 I HA 0.263 4.432 4.170 -0.002 0.000 0.287 138 I C -0.914 175.172 176.117 -0.052 0.000 1.103 138 I CA -0.580 60.705 61.300 -0.025 0.000 1.049 138 I CB 2.047 40.035 38.000 -0.020 0.000 1.232 138 I HN 0.451 nan 8.210 nan 0.000 0.429 139 K N 4.434 124.794 120.400 -0.067 0.000 2.166 139 K HA 0.706 5.025 4.320 -0.002 0.000 0.245 139 K C 0.175 176.716 176.600 -0.100 0.000 0.967 139 K CA -0.017 56.227 56.287 -0.071 0.000 0.863 139 K CB 1.736 34.203 32.500 -0.056 0.000 1.107 139 K HN 0.664 nan 8.250 nan 0.000 0.436 140 S N 1.137 116.784 115.700 -0.088 0.000 3.443 140 S HA -0.204 4.265 4.470 -0.002 0.000 0.635 140 S C -1.000 173.525 174.600 -0.125 0.000 2.555 140 S CA 0.415 58.557 58.200 -0.096 0.000 2.778 140 S CB -0.872 62.267 63.200 -0.102 0.000 0.331 140 S HN 0.908 nan 8.310 nan 0.000 1.765 141 N N 2.157 120.782 118.700 -0.125 0.000 3.012 141 N HA 0.321 5.060 4.740 -0.002 0.000 0.270 141 N C -2.374 173.014 175.510 -0.203 0.000 1.469 141 N CA -1.022 51.950 53.050 -0.130 0.000 0.928 141 N CB 1.349 39.802 38.487 -0.056 0.000 1.219 141 N HN 0.271 nan 8.380 nan 0.000 0.492 142 P HA -0.113 nan 4.420 nan 0.000 0.218 142 P C 0.013 176.959 177.300 -0.591 0.000 1.146 142 P CA 1.366 64.087 63.100 -0.632 0.000 0.820 142 P CB 0.032 31.112 31.700 -1.034 0.000 0.778 143 F N -2.258 117.745 119.950 0.088 0.000 2.908 143 F HA 0.355 4.880 4.527 -0.002 0.000 0.328 143 F C 1.448 177.271 175.800 0.039 0.000 1.211 143 F CA -0.630 57.418 58.000 0.080 0.000 1.291 143 F CB -0.010 39.010 39.000 0.033 0.000 0.962 143 F HN -0.340 nan 8.300 nan 0.000 0.505 144 K N 0.697 121.156 120.400 0.098 0.000 2.616 144 K HA 0.001 4.320 4.320 -0.002 0.000 0.192 144 K C 0.946 177.582 176.600 0.060 0.000 1.031 144 K CA 0.891 57.215 56.287 0.062 0.000 1.004 144 K CB -0.309 32.195 32.500 0.006 0.000 0.810 144 K HN 0.266 nan 8.250 nan 0.000 0.497 145 N N -0.576 118.182 118.700 0.097 0.000 2.672 145 N HA -0.008 4.730 4.740 -0.002 0.000 0.229 145 N C -0.418 175.138 175.510 0.077 0.000 1.043 145 N CA 0.055 53.147 53.050 0.070 0.000 0.932 145 N CB 0.129 38.655 38.487 0.065 0.000 1.500 145 N HN 0.125 nan 8.380 nan 0.000 0.445 146 Q N 1.675 121.539 119.800 0.106 0.000 2.242 146 Q HA 0.026 4.365 4.340 -0.002 0.000 0.284 146 Q C 0.604 176.623 176.000 0.031 0.000 1.130 146 Q CA 0.651 56.483 55.803 0.047 0.000 0.940 146 Q CB 0.642 29.381 28.738 0.001 0.000 1.146 146 Q HN 0.043 nan 8.270 nan 0.000 0.388 147 K N 1.848 122.258 120.400 0.017 0.000 2.425 147 K HA 0.108 4.427 4.320 -0.002 0.000 0.201 147 K C 0.040 176.639 176.600 -0.003 0.000 1.128 147 K CA 0.239 56.533 56.287 0.012 0.000 1.000 147 K CB 0.682 33.192 32.500 0.017 0.000 0.961 147 K HN 0.367 nan 8.250 nan 0.000 0.555 148 N N 0.715 119.409 118.700 -0.011 0.000 2.214 148 N HA 0.049 4.788 4.740 -0.002 0.000 0.214 148 N C -0.573 174.915 175.510 -0.038 0.000 1.132 148 N CA -0.110 52.929 53.050 -0.018 0.000 0.856 148 N CB 0.457 38.938 38.487 -0.011 0.000 1.020 148 N HN -0.045 nan 8.380 nan 0.000 0.509 149 L N 1.275 122.465 121.223 -0.056 0.000 2.295 149 L HA 0.391 4.730 4.340 -0.002 0.000 0.288 149 L C 0.453 177.269 176.870 -0.091 0.000 1.079 149 L CA 0.243 55.027 54.840 -0.094 0.000 0.830 149 L CB 0.057 42.025 42.059 -0.152 0.000 1.200 149 L HN 0.093 nan 8.230 nan 0.000 0.438 150 I N 2.483 123.007 120.570 -0.077 0.000 2.522 150 I HA 0.071 4.240 4.170 -0.002 0.000 0.240 150 I C 0.783 176.857 176.117 -0.072 0.000 1.078 150 I CA 0.115 61.377 61.300 -0.063 0.000 1.422 150 I CB -0.149 37.825 38.000 -0.042 0.000 1.188 150 I HN 0.454 nan 8.210 nan 0.000 0.442 151 K N 3.232 123.589 120.400 -0.072 0.000 2.322 151 K HA 0.296 4.614 4.320 -0.002 0.000 0.283 151 K C -0.628 175.910 176.600 -0.104 0.000 1.042 151 K CA 0.003 56.248 56.287 -0.070 0.000 0.958 151 K CB 1.424 33.890 32.500 -0.057 0.000 0.984 151 K HN 0.106 nan 8.250 nan 0.000 0.473 152 L N 4.367 125.531 121.223 -0.099 0.000 2.489 152 L HA 0.178 4.517 4.340 -0.002 0.000 0.257 152 L C -1.204 175.617 176.870 -0.081 0.000 1.215 152 L CA -0.247 54.510 54.840 -0.139 0.000 0.915 152 L CB 1.047 42.986 42.059 -0.200 0.000 1.146 152 L HN 0.710 nan 8.230 nan 0.000 0.494 153 D N 4.548 124.916 120.400 -0.054 0.000 2.339 153 D HA 0.196 4.834 4.640 -0.002 0.000 0.241 153 D C -0.883 175.423 176.300 0.009 0.000 1.183 153 D CA -0.099 53.894 54.000 -0.012 0.000 0.859 153 D CB 1.251 42.050 40.800 -0.001 0.000 1.067 153 D HN 0.523 nan 8.370 nan 0.000 0.484 154 L N 3.397 124.636 121.223 0.028 0.000 2.470 154 L HA 0.259 4.597 4.340 -0.002 0.000 0.253 154 L C -1.031 175.876 176.870 0.061 0.000 1.163 154 L CA -0.194 54.678 54.840 0.053 0.000 0.932 154 L CB 0.852 42.949 42.059 0.063 0.000 1.213 154 L HN 0.216 nan 8.230 nan 0.000 0.485 155 S N 0.338 116.083 115.700 0.075 0.000 2.599 155 S HA 0.451 4.920 4.470 -0.002 0.000 0.287 155 S C 0.040 174.733 174.600 0.156 0.000 1.105 155 S CA -0.400 57.855 58.200 0.092 0.000 0.899 155 S CB 1.675 64.929 63.200 0.091 0.000 1.100 155 S HN 0.677 nan 8.310 nan 0.000 0.482 156 H N 0.976 120.047 119.070 0.001 0.000 2.958 156 H HA -0.148 4.407 4.556 -0.002 0.000 0.274 156 H C 0.152 175.447 175.328 -0.056 0.000 1.184 156 H CA 1.207 57.243 56.048 -0.021 0.000 1.143 156 H CB -1.582 28.175 29.762 -0.008 0.000 1.297 156 H HN 0.734 nan 8.280 nan 0.000 0.356 157 N N -0.243 118.504 118.700 0.077 0.000 2.235 157 N HA 0.237 4.976 4.740 -0.002 0.000 0.209 157 N C 1.399 176.801 175.510 -0.180 0.000 1.122 157 N CA 0.392 53.425 53.050 -0.028 0.000 0.845 157 N CB 0.672 39.157 38.487 -0.004 0.000 1.004 157 N HN 0.517 nan 8.380 nan 0.000 0.499 158 G N 0.786 109.494 108.800 -0.153 0.000 2.159 158 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.256 158 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.256 158 G C 0.036 174.895 174.900 -0.068 0.000 0.977 158 G CA -0.345 44.622 45.100 -0.220 0.000 0.652 158 G HN 0.144 nan 8.290 nan 0.000 0.531 159 L N 1.027 122.231 121.223 -0.031 0.000 2.490 159 L HA 0.318 4.657 4.340 -0.002 0.000 0.274 159 L C 1.560 178.449 176.870 0.031 0.000 1.201 159 L CA 1.540 56.392 54.840 0.019 0.000 0.869 159 L CB 1.237 43.314 42.059 0.030 0.000 1.123 159 L HN 0.248 nan 8.230 nan 0.000 0.484 160 S N 1.101 116.827 115.700 0.042 0.000 2.512 160 S HA 0.090 4.559 4.470 -0.002 0.000 0.216 160 S C 0.637 175.254 174.600 0.029 0.000 1.006 160 S CA 0.028 58.249 58.200 0.035 0.000 0.915 160 S CB 0.318 63.542 63.200 0.040 0.000 0.824 160 S HN 0.724 nan 8.310 nan 0.000 0.497 161 S N -0.559 115.162 115.700 0.035 0.000 2.627 161 S HA 0.492 4.961 4.470 -0.002 0.000 0.283 161 S C 0.897 175.532 174.600 0.060 0.000 1.127 161 S CA 0.146 58.370 58.200 0.040 0.000 0.863 161 S CB 1.534 64.753 63.200 0.032 0.000 1.121 161 S HN 0.340 nan 8.310 nan 0.000 0.479 162 T N 0.197 114.804 114.554 0.088 0.000 3.031 162 T HA 0.240 4.589 4.350 -0.002 0.000 0.254 162 T C 0.724 175.534 174.700 0.184 0.000 1.060 162 T CA 0.322 62.512 62.100 0.151 0.000 1.135 162 T CB -0.376 68.598 68.868 0.176 0.000 0.896 162 T HN 0.561 nan 8.240 nan 0.000 0.472 163 K N 1.215 121.693 120.400 0.131 0.000 2.530 163 K HA 0.059 4.378 4.320 -0.002 0.000 0.280 163 K C -0.030 176.401 176.600 -0.281 0.000 1.004 163 K CA 0.349 56.630 56.287 -0.010 0.000 1.071 163 K CB 0.087 32.596 32.500 0.015 0.000 0.876 163 K HN 0.424 nan 8.250 nan 0.000 0.487 164 L N 3.074 123.808 121.223 -0.815 0.000 3.429 164 L HA 0.316 4.655 4.340 -0.002 0.000 0.311 164 L C 0.344 176.906 176.870 -0.512 0.000 1.274 164 L CA -0.263 54.230 54.840 -0.580 0.000 1.037 164 L CB 1.052 42.807 42.059 -0.507 0.000 1.433 164 L HN 0.945 nan 8.230 nan 0.000 0.614 165 G N -0.516 108.004 108.800 -0.467 0.000 2.339 165 G HA2 0.174 4.133 3.960 -0.002 0.000 0.302 165 G HA3 0.174 4.133 3.960 -0.002 0.000 0.302 165 G C 0.065 174.932 174.900 -0.055 0.000 1.425 165 G CA 0.262 45.240 45.100 -0.203 0.000 0.899 165 G HN -0.103 nan 8.290 nan 0.000 0.619 166 T N -2.167 112.394 114.554 0.011 0.000 2.971 166 T HA 0.508 4.857 4.350 -0.002 0.000 0.252 166 T C 1.190 175.941 174.700 0.085 0.000 1.022 166 T CA 1.139 63.274 62.100 0.059 0.000 0.980 166 T CB 0.766 69.650 68.868 0.026 0.000 1.044 166 T HN 1.421 nan 8.240 nan 0.000 0.501 167 G N 0.909 109.758 108.800 0.081 0.000 2.462 167 G HA2 0.537 4.496 3.960 -0.002 0.000 0.319 167 G HA3 0.537 4.496 3.960 -0.002 0.000 0.319 167 G C -0.804 174.174 174.900 0.129 0.000 1.171 167 G CA -0.653 44.496 45.100 0.083 0.000 0.920 167 G HN 0.229 nan 8.290 nan 0.000 0.499 168 V N 2.003 121.976 119.914 0.099 0.000 2.352 168 V HA 0.218 4.337 4.120 -0.002 0.000 0.253 168 V C 0.486 176.640 176.094 0.100 0.000 1.083 168 V CA 0.045 62.406 62.300 0.102 0.000 0.993 168 V CB -0.630 31.225 31.823 0.054 0.000 1.111 168 V HN 0.865 nan 8.190 nan 0.000 0.490 169 Q N 4.121 124.010 119.800 0.149 0.000 3.017 169 Q HA 0.698 5.037 4.340 -0.002 0.000 0.299 169 Q C -0.725 175.354 176.000 0.133 0.000 1.046 169 Q CA -1.206 54.675 55.803 0.129 0.000 0.821 169 Q CB 1.492 30.315 28.738 0.140 0.000 1.481 169 Q HN 0.139 nan 8.270 nan 0.000 0.494 170 L N 1.316 122.602 121.223 0.105 0.000 3.573 170 L HA -0.189 4.149 4.340 -0.002 0.000 0.578 170 L C 0.962 177.851 176.870 0.032 0.000 1.299 170 L CA 0.596 55.475 54.840 0.065 0.000 0.914 170 L CB -1.731 40.379 42.059 0.085 0.000 1.563 170 L HN 0.907 nan 8.230 nan 0.000 0.860 171 E N 0.853 121.068 120.200 0.024 0.000 2.055 171 E HA -0.159 4.190 4.350 -0.002 0.000 0.209 171 E C 0.722 177.316 176.600 -0.010 0.000 1.036 171 E CA 1.642 58.047 56.400 0.008 0.000 0.849 171 E CB 0.085 29.791 29.700 0.008 0.000 0.767 171 E HN 0.653 nan 8.360 nan 0.000 0.461 172 N N 0.707 119.399 118.700 -0.013 0.000 2.626 172 N HA 0.263 5.001 4.740 -0.002 0.000 0.242 172 N C -0.947 174.544 175.510 -0.032 0.000 1.005 172 N CA -0.241 52.795 53.050 -0.023 0.000 0.905 172 N CB 1.474 39.951 38.487 -0.017 0.000 1.128 172 N HN -0.017 nan 8.380 nan 0.000 0.512 173 L N 1.380 122.579 121.223 -0.040 0.000 2.362 173 L HA 0.359 4.698 4.340 -0.002 0.000 0.275 173 L C 0.548 177.389 176.870 -0.049 0.000 0.998 173 L CA -0.066 54.745 54.840 -0.047 0.000 0.820 173 L CB 2.048 44.080 42.059 -0.044 0.000 1.270 173 L HN 0.331 nan 8.230 nan 0.000 0.415 174 Q N 2.696 122.473 119.800 -0.039 0.000 2.189 174 Q HA 0.364 4.702 4.340 -0.002 0.000 0.223 174 Q C -0.811 175.179 176.000 -0.017 0.000 0.828 174 Q CA 0.125 55.913 55.803 -0.025 0.000 0.967 174 Q CB 1.093 29.828 28.738 -0.004 0.000 1.139 174 Q HN 0.619 nan 8.270 nan 0.000 0.497 175 E N 1.143 121.326 120.200 -0.027 0.000 2.334 175 E HA 0.229 4.578 4.350 -0.002 0.000 0.280 175 E C -1.912 174.674 176.600 -0.024 0.000 0.899 175 E CA -0.435 55.954 56.400 -0.019 0.000 0.813 175 E CB 1.953 31.642 29.700 -0.019 0.000 1.318 175 E HN -0.091 nan 8.360 nan 0.000 0.399 176 L N 4.752 125.972 121.223 -0.005 0.000 2.356 176 L HA 0.380 4.719 4.340 -0.002 0.000 0.264 176 L C -1.810 175.076 176.870 0.026 0.000 1.029 176 L CA -0.648 54.198 54.840 0.010 0.000 0.897 176 L CB 0.529 42.609 42.059 0.036 0.000 1.256 176 L HN 0.400 nan 8.230 nan 0.000 0.444 177 L N 6.254 127.487 121.223 0.017 0.000 2.283 177 L HA 0.434 4.773 4.340 -0.002 0.000 0.287 177 L C -0.468 176.428 176.870 0.044 0.000 1.073 177 L CA 0.407 55.265 54.840 0.029 0.000 0.822 177 L CB 0.859 42.930 42.059 0.021 0.000 1.186 177 L HN 0.499 nan 8.230 nan 0.000 0.436 178 L N 4.259 125.515 121.223 0.056 0.000 2.492 178 L HA 0.785 5.124 4.340 -0.002 0.000 0.258 178 L C -0.290 176.614 176.870 0.057 0.000 1.028 178 L CA -0.200 54.677 54.840 0.062 0.000 0.900 178 L CB 1.115 43.221 42.059 0.079 0.000 1.191 178 L HN 0.706 nan 8.230 nan 0.000 0.459 179 A N 1.592 124.441 122.820 0.047 0.000 2.569 179 A HA 0.745 5.064 4.320 -0.002 0.000 0.290 179 A C 0.230 177.822 177.584 0.013 0.000 1.136 179 A CA -0.544 51.514 52.037 0.035 0.000 0.710 179 A CB 1.480 20.502 19.000 0.037 0.000 1.303 179 A HN 0.598 nan 8.150 nan 0.000 0.413 180 K N -0.657 119.731 120.400 -0.020 0.000 3.193 180 K HA -0.175 4.144 4.320 -0.002 0.000 0.294 180 K C 0.127 176.654 176.600 -0.122 0.000 1.185 180 K CA 1.321 57.549 56.287 -0.098 0.000 0.866 180 K CB -1.327 31.103 32.500 -0.117 0.000 1.227 180 K HN 0.692 nan 8.250 nan 0.000 0.467 181 N N 0.606 119.277 118.700 -0.048 0.000 2.604 181 N HA 0.237 4.975 4.740 -0.002 0.000 0.297 181 N C 0.009 175.503 175.510 -0.027 0.000 1.266 181 N CA -0.444 52.586 53.050 -0.033 0.000 0.961 181 N CB 0.732 39.222 38.487 0.005 0.000 1.166 181 N HN 0.011 nan 8.380 nan 0.000 0.601 182 K N 0.835 121.228 120.400 -0.012 0.000 3.109 182 K HA 0.354 4.673 4.320 -0.002 0.000 0.214 182 K C -0.602 176.001 176.600 0.005 0.000 1.196 182 K CA -0.336 55.948 56.287 -0.004 0.000 1.115 182 K CB -0.029 32.474 32.500 0.004 0.000 1.103 182 K HN 0.309 nan 8.250 nan 0.000 0.467 183 I N 1.407 121.982 120.570 0.008 0.000 2.496 183 I HA -0.050 4.119 4.170 -0.002 0.000 0.285 183 I C 1.060 177.170 176.117 -0.012 0.000 1.080 183 I CA 0.052 61.358 61.300 0.009 0.000 1.404 183 I CB 0.837 38.853 38.000 0.027 0.000 1.403 183 I HN 0.166 nan 8.210 nan 0.000 0.539 184 L N 5.933 127.141 121.223 -0.025 0.000 2.416 184 L HA 0.479 4.818 4.340 -0.002 0.000 0.216 184 L C 0.756 177.566 176.870 -0.101 0.000 1.098 184 L CA 0.581 55.389 54.840 -0.054 0.000 0.840 184 L CB -0.569 41.465 42.059 -0.043 0.000 0.981 184 L HN 0.776 nan 8.230 nan 0.000 0.462 185 A N -1.216 121.552 122.820 -0.087 0.000 2.540 185 A HA 0.709 5.027 4.320 -0.002 0.000 0.291 185 A C -2.111 175.432 177.584 -0.069 0.000 1.083 185 A CA -0.504 51.453 52.037 -0.133 0.000 0.650 185 A CB 0.765 19.683 19.000 -0.135 0.000 1.292 185 A HN -0.139 nan 8.150 nan 0.000 0.435 186 L N 0.621 121.801 121.223 -0.072 0.000 2.385 186 L HA 0.703 5.042 4.340 -0.002 0.000 0.273 186 L C 0.242 177.068 176.870 -0.073 0.000 0.990 186 L CA -0.001 54.805 54.840 -0.056 0.000 0.821 186 L CB 1.811 43.822 42.059 -0.080 0.000 1.279 186 L HN 0.785 nan 8.230 nan 0.000 0.412 187 R N 0.364 120.829 120.500 -0.059 0.000 2.832 187 R HA 0.424 4.763 4.340 -0.002 0.000 0.271 187 R C 0.639 176.903 176.300 -0.060 0.000 0.996 187 R CA -0.691 55.380 56.100 -0.048 0.000 0.977 187 R CB 1.922 32.211 30.300 -0.018 0.000 1.168 187 R HN 0.601 nan 8.270 nan 0.000 0.482 188 S N 0.561 116.232 115.700 -0.048 0.000 2.595 188 S HA -0.085 4.384 4.470 -0.002 0.000 0.235 188 S C 0.607 175.195 174.600 -0.020 0.000 0.974 188 S CA 1.369 59.542 58.200 -0.044 0.000 0.942 188 S CB 0.110 63.293 63.200 -0.029 0.000 0.766 188 S HN 0.544 nan 8.310 nan 0.000 0.536 189 E N 0.701 120.899 120.200 -0.003 0.000 2.175 189 E HA 0.022 4.371 4.350 -0.002 0.000 0.195 189 E C 1.665 178.305 176.600 0.067 0.000 0.934 189 E CA 0.718 57.133 56.400 0.025 0.000 0.870 189 E CB -0.040 29.672 29.700 0.020 0.000 0.838 189 E HN 0.751 nan 8.360 nan 0.000 0.474 190 E N 0.879 121.124 120.200 0.075 0.000 2.476 190 E HA 0.010 4.358 4.350 -0.002 0.000 0.191 190 E C 1.008 177.765 176.600 0.262 0.000 1.064 190 E CA 0.241 56.732 56.400 0.152 0.000 0.866 190 E CB 0.314 30.077 29.700 0.105 0.000 0.952 190 E HN 0.115 nan 8.360 nan 0.000 0.492 191 L N 1.113 122.395 121.223 0.100 0.000 2.642 191 L HA 0.055 4.394 4.340 -0.002 0.000 0.233 191 L C 2.174 178.884 176.870 -0.267 0.000 1.077 191 L CA 0.963 55.749 54.840 -0.090 0.000 0.879 191 L CB -0.415 41.565 42.059 -0.131 0.000 1.151 191 L HN 0.313 nan 8.230 nan 0.000 0.495 192 E N 0.737 120.892 120.200 -0.075 0.000 2.455 192 E HA -0.245 4.104 4.350 -0.002 0.000 0.202 192 E C 1.703 178.276 176.600 -0.044 0.000 1.045 192 E CA 0.927 57.287 56.400 -0.068 0.000 0.872 192 E CB -0.644 29.058 29.700 0.002 0.000 0.792 192 E HN 0.538 nan 8.360 nan 0.000 0.542 193 F N 0.597 120.555 119.950 0.014 0.000 2.722 193 F HA 0.188 4.714 4.527 -0.002 0.000 0.298 193 F C 0.221 176.034 175.800 0.021 0.000 1.175 193 F CA 0.011 58.025 58.000 0.022 0.000 1.462 193 F CB -0.224 38.798 39.000 0.036 0.000 1.111 193 F HN -0.143 nan 8.300 nan 0.000 0.592 194 L N 1.303 122.322 121.223 -0.341 0.000 2.337 194 L HA 0.494 4.833 4.340 -0.002 0.000 0.269 194 L C 1.199 177.990 176.870 -0.132 0.000 1.018 194 L CA -0.466 54.226 54.840 -0.247 0.000 0.876 194 L CB 1.205 43.023 42.059 -0.403 0.000 1.236 194 L HN 0.240 nan 8.230 nan 0.000 0.436 195 G N 2.327 111.094 108.800 -0.054 0.000 2.471 195 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.211 195 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.211 195 G C 0.823 175.700 174.900 -0.039 0.000 1.194 195 G CA 0.449 45.528 45.100 -0.036 0.000 0.816 195 G HN 0.724 nan 8.290 nan 0.000 0.545 196 N N -0.405 118.275 118.700 -0.034 0.000 2.235 196 N HA 0.215 4.954 4.740 -0.002 0.000 0.231 196 N C -0.124 175.353 175.510 -0.055 0.000 1.177 196 N CA -0.286 52.741 53.050 -0.038 0.000 0.874 196 N CB 0.677 39.151 38.487 -0.021 0.000 1.097 196 N HN -0.016 nan 8.380 nan 0.000 0.518 197 S N 0.275 115.936 115.700 -0.066 0.000 2.510 197 S HA 0.191 4.660 4.470 -0.002 0.000 0.279 197 S C -0.185 174.340 174.600 -0.125 0.000 1.284 197 S CA -0.509 57.642 58.200 -0.081 0.000 1.059 197 S CB 0.751 63.903 63.200 -0.081 0.000 0.901 197 S HN 0.318 nan 8.310 nan 0.000 0.491 198 S N 4.074 119.686 115.700 -0.146 0.000 2.601 198 S HA 0.427 4.896 4.470 -0.002 0.000 0.312 198 S C -0.351 174.098 174.600 -0.252 0.000 1.107 198 S CA -0.747 57.303 58.200 -0.250 0.000 1.129 198 S CB -0.216 62.816 63.200 -0.281 0.000 0.982 198 S HN 0.588 nan 8.310 nan 0.000 0.469 199 L N 5.227 126.306 121.223 -0.240 0.000 2.319 199 L HA 0.465 4.804 4.340 -0.002 0.000 0.280 199 L C 1.706 178.478 176.870 -0.164 0.000 1.099 199 L CA -0.337 54.410 54.840 -0.154 0.000 0.828 199 L CB 0.691 42.693 42.059 -0.095 0.000 1.150 199 L HN 0.640 nan 8.230 nan 0.000 0.442 200 R N 2.533 123.015 120.500 -0.029 0.000 2.112 200 R HA 0.096 4.434 4.340 -0.002 0.000 0.216 200 R C 0.323 176.697 176.300 0.124 0.000 1.080 200 R CA 0.786 56.975 56.100 0.148 0.000 0.996 200 R CB 0.406 30.806 30.300 0.168 0.000 0.902 200 R HN 0.499 nan 8.270 nan 0.000 0.449 201 K N 1.020 121.450 120.400 0.051 0.000 2.640 201 K HA 0.205 4.524 4.320 -0.002 0.000 0.245 201 K C -1.971 174.643 176.600 0.024 0.000 0.962 201 K CA -0.592 55.717 56.287 0.037 0.000 0.896 201 K CB 1.484 33.998 32.500 0.023 0.000 1.147 201 K HN -0.017 nan 8.250 nan 0.000 0.445 202 L N 4.344 125.585 121.223 0.030 0.000 2.301 202 L HA 0.388 4.727 4.340 -0.002 0.000 0.278 202 L C -0.844 176.058 176.870 0.054 0.000 1.022 202 L CA -0.288 54.577 54.840 0.041 0.000 0.854 202 L CB 0.871 42.963 42.059 0.055 0.000 1.226 202 L HN 0.535 nan 8.230 nan 0.000 0.429 203 D N 4.157 124.586 120.400 0.049 0.000 2.345 203 D HA 0.324 4.963 4.640 -0.002 0.000 0.247 203 D C -0.333 176.010 176.300 0.072 0.000 1.108 203 D CA 0.254 54.285 54.000 0.052 0.000 0.894 203 D CB 1.088 41.911 40.800 0.039 0.000 1.203 203 D HN 0.657 nan 8.370 nan 0.000 0.430 204 L N 2.305 123.575 121.223 0.077 0.000 2.625 204 L HA 0.129 4.468 4.340 -0.002 0.000 0.295 204 L C -0.399 176.521 176.870 0.083 0.000 1.368 204 L CA -0.208 54.689 54.840 0.094 0.000 0.685 204 L CB 0.548 42.691 42.059 0.140 0.000 1.012 204 L HN 0.186 nan 8.230 nan 0.000 0.523 205 S N -1.005 114.729 115.700 0.057 0.000 2.652 205 S HA 0.395 4.864 4.470 -0.002 0.000 0.270 205 S C 1.164 175.780 174.600 0.027 0.000 1.243 205 S CA -0.049 58.177 58.200 0.042 0.000 0.999 205 S CB 1.725 64.940 63.200 0.026 0.000 0.973 205 S HN 0.458 nan 8.310 nan 0.000 0.544 206 S N 0.677 116.388 115.700 0.017 0.000 3.017 206 S HA -0.166 4.303 4.470 -0.002 0.000 0.283 206 S C 0.071 174.671 174.600 -0.001 0.000 1.304 206 S CA 0.857 59.055 58.200 -0.003 0.000 1.224 206 S CB -1.334 61.845 63.200 -0.034 0.000 1.480 206 S HN 0.750 nan 8.310 nan 0.000 0.698 207 N N 2.649 121.362 118.700 0.022 0.000 2.442 207 N HA 0.190 4.929 4.740 -0.002 0.000 0.265 207 N C -2.314 173.208 175.510 0.020 0.000 1.138 207 N CA -0.987 52.076 53.050 0.022 0.000 0.956 207 N CB 0.754 39.268 38.487 0.044 0.000 1.067 207 N HN 0.245 nan 8.380 nan 0.000 0.474 208 P HA 0.091 nan 4.420 nan 0.000 0.230 208 P C -0.263 177.018 177.300 -0.031 0.000 1.791 208 P CA 0.006 63.102 63.100 -0.007 0.000 1.020 208 P CB -0.153 31.539 31.700 -0.012 0.000 1.977 209 L N 1.889 123.091 121.223 -0.035 0.000 2.367 209 L HA 0.189 4.527 4.340 -0.002 0.000 0.275 209 L C 1.544 178.300 176.870 -0.190 0.000 1.129 209 L CA 0.112 54.871 54.840 -0.134 0.000 0.839 209 L CB 0.576 42.555 42.059 -0.133 0.000 1.133 209 L HN 0.107 nan 8.230 nan 0.000 0.453 210 K N 1.741 121.994 120.400 -0.245 0.000 2.425 210 K HA 0.133 4.452 4.320 -0.002 0.000 0.201 210 K C -0.254 176.173 176.600 -0.288 0.000 1.128 210 K CA 0.072 56.242 56.287 -0.195 0.000 1.000 210 K CB 0.885 33.321 32.500 -0.106 0.000 0.961 210 K HN 0.713 nan 8.250 nan 0.000 0.555 211 E N 0.110 120.032 120.200 -0.463 0.000 2.335 211 E HA 0.245 4.594 4.350 -0.002 0.000 0.280 211 E C -1.364 174.861 176.600 -0.624 0.000 0.918 211 E CA -0.797 55.333 56.400 -0.449 0.000 0.765 211 E CB 0.962 30.556 29.700 -0.175 0.000 1.218 211 E HN -0.166 nan 8.360 nan 0.000 0.425 212 F N 1.818 121.772 119.950 0.007 0.000 2.310 212 F HA 0.303 4.829 4.527 -0.002 0.000 0.365 212 F C 0.736 176.517 175.800 -0.032 0.000 1.080 212 F CA -0.849 57.135 58.000 -0.027 0.000 1.187 212 F CB 1.458 40.468 39.000 0.018 0.000 1.465 212 F HN 0.451 nan 8.300 nan 0.000 0.496 213 S N 5.116 120.839 115.700 0.038 0.000 2.642 213 S HA 0.006 4.475 4.470 -0.002 0.000 0.308 213 S C -1.905 172.716 174.600 0.036 0.000 1.255 213 S CA -1.077 57.136 58.200 0.021 0.000 1.057 213 S CB 0.110 63.301 63.200 -0.014 0.000 0.785 213 S HN 0.298 nan 8.310 nan 0.000 0.500 214 P HA 0.018 nan 4.420 nan 0.000 0.264 214 P C 0.785 178.092 177.300 0.012 0.000 1.173 214 P CA 1.225 64.349 63.100 0.040 0.000 0.761 214 P CB -0.154 31.558 31.700 0.021 0.000 0.794 215 G N 2.423 111.236 108.800 0.022 0.000 2.225 215 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.267 215 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.267 215 G C 0.693 175.576 174.900 -0.028 0.000 1.024 215 G CA 0.161 45.267 45.100 0.009 0.000 0.784 215 G HN 0.790 nan 8.290 nan 0.000 0.507 216 C N -2.827 116.418 119.300 -0.092 0.000 2.573 216 C HA 0.690 5.149 4.460 -0.002 0.000 0.273 216 C C 1.581 176.286 174.990 -0.475 0.000 1.346 216 C CA 0.284 59.138 59.018 -0.273 0.000 1.702 216 C CB -1.374 26.161 27.740 -0.342 0.000 1.751 216 C HN 0.309 nan 8.230 nan 0.000 0.583 217 F N -0.088 119.863 119.950 0.002 0.000 2.815 217 F HA 0.170 4.696 4.527 -0.002 0.000 0.328 217 F C 2.163 177.945 175.800 -0.031 0.000 0.982 217 F CA -0.007 57.981 58.000 -0.020 0.000 1.154 217 F CB -0.392 38.596 39.000 -0.019 0.000 0.980 217 F HN -0.004 nan 8.300 nan 0.000 0.603 218 Q N 0.205 120.088 119.800 0.137 0.000 2.439 218 Q HA -0.085 4.254 4.340 -0.002 0.000 0.211 218 Q C 1.671 177.687 176.000 0.027 0.000 0.978 218 Q CA 1.712 57.556 55.803 0.068 0.000 0.897 218 Q CB -1.272 27.489 28.738 0.038 0.000 0.956 218 Q HN 0.514 nan 8.270 nan 0.000 0.483 219 T N -2.780 111.780 114.554 0.009 0.000 3.081 219 T HA 0.264 4.613 4.350 -0.002 0.000 0.250 219 T C 0.956 175.621 174.700 -0.058 0.000 1.100 219 T CA -0.215 61.867 62.100 -0.031 0.000 1.038 219 T CB 0.074 68.910 68.868 -0.053 0.000 0.962 219 T HN 0.025 nan 8.240 nan 0.000 0.516 220 I N 2.074 122.627 120.570 -0.029 0.000 2.365 220 I HA 0.411 4.580 4.170 -0.002 0.000 0.291 220 I C 1.935 178.013 176.117 -0.064 0.000 1.004 220 I CA -0.693 60.569 61.300 -0.063 0.000 1.311 220 I CB 1.300 39.298 38.000 -0.002 0.000 1.401 220 I HN 0.213 nan 8.210 nan 0.000 0.491 221 G N 6.436 115.179 108.800 -0.095 0.000 2.672 221 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.218 221 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.218 221 G C 0.396 175.234 174.900 -0.104 0.000 1.238 221 G CA 0.864 45.910 45.100 -0.090 0.000 0.791 221 G HN 0.638 nan 8.290 nan 0.000 0.606 222 K N -0.635 119.659 120.400 -0.176 0.000 2.695 222 K HA 0.397 4.716 4.320 -0.002 0.000 0.255 222 K C -1.915 174.453 176.600 -0.387 0.000 1.016 222 K CA -0.702 55.430 56.287 -0.258 0.000 0.928 222 K CB 2.225 34.519 32.500 -0.342 0.000 1.235 222 K HN 0.116 nan 8.250 nan 0.000 0.467 223 L N 4.257 125.345 121.223 -0.224 0.000 2.272 223 L HA 0.352 4.691 4.340 -0.002 0.000 0.284 223 L C -0.035 176.811 176.870 -0.041 0.000 1.045 223 L CA -0.240 54.498 54.840 -0.170 0.000 0.842 223 L CB 0.008 42.024 42.059 -0.072 0.000 1.224 223 L HN 0.512 nan 8.230 nan 0.000 0.430 224 F N 2.819 122.740 119.950 -0.047 0.000 2.059 224 F HA 0.283 4.809 4.527 -0.002 0.000 0.289 224 F C 1.557 177.318 175.800 -0.064 0.000 1.128 224 F CA 0.584 58.553 58.000 -0.052 0.000 1.181 224 F CB -1.037 37.940 39.000 -0.039 0.000 1.012 224 F HN 0.513 nan 8.300 nan 0.000 0.473 225 A N -0.198 122.725 122.820 0.172 0.000 2.256 225 A HA 0.662 4.981 4.320 -0.002 0.000 0.318 225 A C -1.333 176.259 177.584 0.015 0.000 1.103 225 A CA -0.344 51.729 52.037 0.060 0.000 0.860 225 A CB 1.191 20.221 19.000 0.049 0.000 1.182 225 A HN 0.287 nan 8.150 nan 0.000 0.501 226 L N -0.352 120.869 121.223 -0.005 0.000 2.612 226 L HA 0.617 4.956 4.340 -0.002 0.000 0.256 226 L C -1.846 175.029 176.870 0.007 0.000 0.949 226 L CA -0.149 54.686 54.840 -0.008 0.000 0.867 226 L CB 1.737 43.753 42.059 -0.072 0.000 1.417 226 L HN 0.566 nan 8.230 nan 0.000 0.414 227 L N 6.094 127.336 121.223 0.032 0.000 2.529 227 L HA 0.392 4.730 4.340 -0.002 0.000 0.258 227 L C -0.210 176.695 176.870 0.059 0.000 1.032 227 L CA -0.240 54.622 54.840 0.037 0.000 0.899 227 L CB 1.434 43.510 42.059 0.029 0.000 1.174 227 L HN 0.544 nan 8.230 nan 0.000 0.458 228 L N 1.471 122.735 121.223 0.068 0.000 2.805 228 L HA 0.198 4.537 4.340 -0.002 0.000 0.237 228 L C 0.479 177.401 176.870 0.085 0.000 1.252 228 L CA -0.313 54.586 54.840 0.099 0.000 1.064 228 L CB -0.658 41.476 42.059 0.124 0.000 1.361 228 L HN 0.594 nan 8.230 nan 0.000 0.474 229 N N 2.135 120.870 118.700 0.058 0.000 2.353 229 N HA -0.165 4.574 4.740 -0.002 0.000 0.248 229 N C 0.524 176.058 175.510 0.040 0.000 1.240 229 N CA 0.587 53.661 53.050 0.041 0.000 0.862 229 N CB 0.070 38.565 38.487 0.014 0.000 1.086 229 N HN 0.320 nan 8.380 nan 0.000 0.453 230 N N 0.123 118.843 118.700 0.034 0.000 2.652 230 N HA -0.299 4.440 4.740 -0.002 0.000 0.281 230 N C -0.553 174.982 175.510 0.042 0.000 1.084 230 N CA 0.368 53.436 53.050 0.030 0.000 0.775 230 N CB -0.394 38.095 38.487 0.002 0.000 0.923 230 N HN 0.664 nan 8.380 nan 0.000 0.558 231 A N 2.464 125.324 122.820 0.066 0.000 2.635 231 A HA 0.151 4.470 4.320 -0.002 0.000 0.279 231 A C 0.353 177.982 177.584 0.076 0.000 1.122 231 A CA 0.198 52.280 52.037 0.076 0.000 0.965 231 A CB 0.505 19.576 19.000 0.119 0.000 1.221 231 A HN 0.653 nan 8.150 nan 0.000 0.566 232 Q N -0.467 119.375 119.800 0.069 0.000 2.430 232 Q HA -0.180 4.159 4.340 -0.002 0.000 0.365 232 Q C -1.246 174.803 176.000 0.081 0.000 1.399 232 Q CA 0.370 56.212 55.803 0.065 0.000 1.050 232 Q CB -1.209 27.555 28.738 0.042 0.000 1.201 232 Q HN 0.427 nan 8.270 nan 0.000 0.320 233 L N 1.579 122.864 121.223 0.103 0.000 2.295 233 L HA 0.415 4.754 4.340 -0.002 0.000 0.285 233 L C 0.455 177.381 176.870 0.094 0.000 1.035 233 L CA -0.234 54.682 54.840 0.126 0.000 0.806 233 L CB 1.421 43.577 42.059 0.162 0.000 1.214 233 L HN 0.356 nan 8.230 nan 0.000 0.426 234 N N 3.476 122.231 118.700 0.091 0.000 2.483 234 N HA 0.314 5.053 4.740 -0.002 0.000 0.269 234 N C -1.878 173.665 175.510 0.056 0.000 1.209 234 N CA -1.276 51.816 53.050 0.070 0.000 0.969 234 N CB 1.265 39.798 38.487 0.077 0.000 1.173 234 N HN 0.283 nan 8.380 nan 0.000 0.475 235 P HA -0.132 nan 4.420 nan 0.000 0.218 235 P C 0.311 177.606 177.300 -0.010 0.000 1.146 235 P CA 1.320 64.404 63.100 -0.026 0.000 0.813 235 P CB 0.109 31.793 31.700 -0.026 0.000 0.778 236 H N -1.531 117.503 119.070 -0.060 0.000 2.344 236 H HA 0.050 4.605 4.556 -0.002 0.000 0.307 236 H C 1.661 176.978 175.328 -0.019 0.000 1.057 236 H CA 0.977 56.992 56.048 -0.055 0.000 1.373 236 H CB -0.823 28.928 29.762 -0.018 0.000 1.421 236 H HN -0.154 nan 8.280 nan 0.000 0.532 237 L N 0.097 121.404 121.223 0.139 0.000 2.051 237 L HA -0.220 4.119 4.340 -0.002 0.000 0.214 237 L C 2.363 179.324 176.870 0.151 0.000 1.076 237 L CA 2.068 57.019 54.840 0.185 0.000 0.758 237 L CB -1.087 41.102 42.059 0.216 0.000 0.890 237 L HN 0.342 nan 8.230 nan 0.000 0.433 238 T N -1.476 113.107 114.554 0.048 0.000 2.668 238 T HA -0.231 4.117 4.350 -0.002 0.000 0.262 238 T C 1.794 176.382 174.700 -0.188 0.000 1.045 238 T CA 1.373 63.451 62.100 -0.037 0.000 1.152 238 T CB -0.226 68.603 68.868 -0.064 0.000 0.864 238 T HN 0.397 nan 8.240 nan 0.000 0.419 239 E N 0.908 120.930 120.200 -0.296 0.000 2.114 239 E HA -0.260 4.089 4.350 -0.002 0.000 0.199 239 E C 2.280 178.472 176.600 -0.680 0.000 1.008 239 E CA 1.360 57.463 56.400 -0.496 0.000 0.810 239 E CB -0.046 29.358 29.700 -0.493 0.000 0.739 239 E HN 0.340 nan 8.360 nan 0.000 0.456 240 K N 0.353 120.464 120.400 -0.482 0.000 1.991 240 K HA -0.158 4.161 4.320 -0.002 0.000 0.207 240 K C 2.442 178.961 176.600 -0.136 0.000 1.045 240 K CA 1.052 57.150 56.287 -0.315 0.000 0.937 240 K CB -0.349 32.112 32.500 -0.065 0.000 0.720 240 K HN 0.186 nan 8.250 nan 0.000 0.438 241 L N 2.000 123.184 121.223 -0.066 0.000 2.103 241 L HA -0.288 4.051 4.340 -0.002 0.000 0.215 241 L C 2.133 178.902 176.870 -0.169 0.000 1.080 241 L CA 1.870 56.577 54.840 -0.220 0.000 0.764 241 L CB -0.992 40.684 42.059 -0.639 0.000 0.890 241 L HN 0.296 nan 8.230 nan 0.000 0.435 242 C N -1.037 118.132 119.300 -0.217 0.000 2.376 242 C HA -0.229 4.230 4.460 -0.002 0.000 0.275 242 C C 2.427 177.374 174.990 -0.072 0.000 1.200 242 C CA 1.066 59.971 59.018 -0.189 0.000 1.756 242 C CB -1.665 25.892 27.740 -0.305 0.000 2.050 242 C HN 0.814 nan 8.230 nan 0.000 0.460 243 W N 1.171 122.439 121.300 -0.054 0.000 2.350 243 W HA -0.077 4.581 4.660 -0.002 0.000 0.289 243 W C 2.196 178.684 176.519 -0.052 0.000 1.215 243 W CA 1.166 58.459 57.345 -0.086 0.000 1.236 243 W CB -1.034 28.355 29.460 -0.118 0.000 1.130 243 W HN 0.526 nan 8.180 nan 0.000 0.541 244 E N -0.048 120.290 120.200 0.230 0.000 2.427 244 E HA -0.035 4.313 4.350 -0.002 0.000 0.196 244 E C 1.911 178.686 176.600 0.292 0.000 1.028 244 E CA 0.636 57.194 56.400 0.263 0.000 0.864 244 E CB -0.592 29.296 29.700 0.313 0.000 0.813 244 E HN 0.354 nan 8.360 nan 0.000 0.514 245 L N 0.724 121.996 121.223 0.083 0.000 2.611 245 L HA 0.120 4.459 4.340 -0.002 0.000 0.229 245 L C 0.844 177.699 176.870 -0.024 0.000 1.137 245 L CA -0.156 54.605 54.840 -0.132 0.000 0.901 245 L CB 0.165 42.088 42.059 -0.227 0.000 1.098 245 L HN -0.169 nan 8.230 nan 0.000 0.456 246 S N 0.056 115.793 115.700 0.061 0.000 2.614 246 S HA 0.145 4.614 4.470 -0.002 0.000 0.265 246 S C 0.944 175.602 174.600 0.095 0.000 1.303 246 S CA -0.538 57.720 58.200 0.098 0.000 1.000 246 S CB 0.564 63.802 63.200 0.063 0.000 0.935 246 S HN 0.399 nan 8.310 nan 0.000 0.551 247 N N 0.380 119.184 118.700 0.173 0.000 2.650 247 N HA -0.170 4.569 4.740 -0.002 0.000 0.249 247 N C 0.177 175.747 175.510 0.100 0.000 1.155 247 N CA 1.489 54.639 53.050 0.167 0.000 0.747 247 N CB -1.610 36.967 38.487 0.149 0.000 1.132 247 N HN 0.833 nan 8.380 nan 0.000 0.564 248 T N -3.916 110.681 114.554 0.073 0.000 2.927 248 T HA 0.462 4.811 4.350 -0.002 0.000 0.281 248 T C 0.978 175.713 174.700 0.059 0.000 0.998 248 T CA -0.608 61.517 62.100 0.043 0.000 1.019 248 T CB 1.707 70.567 68.868 -0.013 0.000 1.061 248 T HN -0.015 nan 8.240 nan 0.000 0.518 249 S N 0.636 116.381 115.700 0.075 0.000 2.840 249 S HA 0.184 4.652 4.470 -0.002 0.000 0.235 249 S C 0.596 175.333 174.600 0.229 0.000 0.968 249 S CA -0.556 57.748 58.200 0.173 0.000 1.026 249 S CB -1.059 62.285 63.200 0.240 0.000 0.788 249 S HN 0.674 nan 8.310 nan 0.000 0.487 250 I N 1.752 122.377 120.570 0.091 0.000 2.533 250 I HA 0.020 4.189 4.170 -0.002 0.000 0.284 250 I C 0.858 176.993 176.117 0.031 0.000 1.109 250 I CA 0.320 61.649 61.300 0.049 0.000 1.412 250 I CB 0.716 38.668 38.000 -0.080 0.000 1.396 250 I HN 0.224 nan 8.210 nan 0.000 0.543 251 Q N 4.178 123.994 119.800 0.026 0.000 2.532 251 Q HA 0.228 4.567 4.340 -0.002 0.000 0.247 251 Q C -0.295 175.691 176.000 -0.024 0.000 0.872 251 Q CA 0.062 55.852 55.803 -0.022 0.000 0.963 251 Q CB 0.528 29.216 28.738 -0.083 0.000 1.159 251 Q HN 0.603 nan 8.270 nan 0.000 0.598 252 N N 0.574 119.261 118.700 -0.022 0.000 2.405 252 N HA 0.516 5.255 4.740 -0.002 0.000 0.299 252 N C -1.648 173.842 175.510 -0.033 0.000 1.075 252 N CA -0.373 52.661 53.050 -0.028 0.000 0.884 252 N CB 1.837 40.303 38.487 -0.036 0.000 1.194 252 N HN -0.038 nan 8.380 nan 0.000 0.491 253 L N 0.605 121.808 121.223 -0.034 0.000 2.516 253 L HA 0.495 4.834 4.340 -0.002 0.000 0.267 253 L C -0.976 175.885 176.870 -0.016 0.000 0.957 253 L CA -0.331 54.486 54.840 -0.039 0.000 0.860 253 L CB 1.823 43.841 42.059 -0.067 0.000 1.265 253 L HN 0.471 nan 8.230 nan 0.000 0.403 254 S N 5.599 121.301 115.700 0.003 0.000 2.437 254 S HA 0.767 5.236 4.470 -0.002 0.000 0.305 254 S C -0.698 173.933 174.600 0.050 0.000 1.109 254 S CA -0.474 57.742 58.200 0.028 0.000 1.099 254 S CB 0.496 63.711 63.200 0.025 0.000 1.004 254 S HN 0.629 nan 8.310 nan 0.000 0.475 255 L N 4.400 125.669 121.223 0.076 0.000 2.594 255 L HA 0.505 4.844 4.340 -0.002 0.000 0.245 255 L C 0.088 177.030 176.870 0.120 0.000 1.460 255 L CA -0.531 54.372 54.840 0.106 0.000 0.865 255 L CB 0.646 42.791 42.059 0.143 0.000 1.131 255 L HN 0.698 nan 8.230 nan 0.000 0.506 256 A N 0.796 123.674 122.820 0.097 0.000 2.301 256 A HA 0.594 4.913 4.320 -0.002 0.000 0.312 256 A C 0.387 178.021 177.584 0.084 0.000 1.182 256 A CA -0.331 51.769 52.037 0.105 0.000 0.826 256 A CB 0.389 19.422 19.000 0.056 0.000 1.134 256 A HN 0.672 nan 8.150 nan 0.000 0.501 257 N N 1.865 120.638 118.700 0.123 0.000 2.621 257 N HA -0.123 4.616 4.740 -0.002 0.000 0.269 257 N C -0.799 174.766 175.510 0.092 0.000 1.154 257 N CA 0.923 54.031 53.050 0.096 0.000 0.696 257 N CB -0.928 37.567 38.487 0.013 0.000 0.878 257 N HN 0.822 nan 8.380 nan 0.000 0.550 258 N N 0.295 119.062 118.700 0.113 0.000 3.278 258 N HA 0.274 5.013 4.740 -0.002 0.000 0.307 258 N C -0.117 175.452 175.510 0.098 0.000 1.551 258 N CA -0.458 52.652 53.050 0.101 0.000 0.794 258 N CB 0.426 38.980 38.487 0.112 0.000 1.770 258 N HN 0.073 nan 8.380 nan 0.000 0.612 259 Q N 0.752 120.603 119.800 0.085 0.000 2.241 259 Q HA 0.400 4.739 4.340 -0.002 0.000 0.296 259 Q C -0.720 175.321 176.000 0.068 0.000 0.889 259 Q CA -0.127 55.721 55.803 0.074 0.000 1.089 259 Q CB -0.233 28.540 28.738 0.059 0.000 1.195 259 Q HN 0.291 nan 8.270 nan 0.000 0.451 260 L N 1.117 122.388 121.223 0.079 0.000 2.436 260 L HA 0.035 4.374 4.340 -0.002 0.000 0.244 260 L C 0.770 177.680 176.870 0.067 0.000 1.396 260 L CA 0.594 55.470 54.840 0.060 0.000 1.217 260 L CB -0.548 41.557 42.059 0.077 0.000 1.420 260 L HN 0.403 nan 8.230 nan 0.000 0.434 261 L N 0.761 122.020 121.223 0.059 0.000 2.447 261 L HA -0.042 4.297 4.340 -0.002 0.000 0.225 261 L C 1.037 177.954 176.870 0.078 0.000 1.148 261 L CA 0.642 55.526 54.840 0.073 0.000 0.808 261 L CB -0.572 41.516 42.059 0.048 0.000 0.928 261 L HN 0.669 nan 8.230 nan 0.000 0.448 262 A N -0.964 121.883 122.820 0.044 0.000 2.586 262 A HA 0.630 4.948 4.320 -0.002 0.000 0.291 262 A C -0.504 177.058 177.584 -0.037 0.000 1.062 262 A CA -0.138 51.916 52.037 0.028 0.000 0.666 262 A CB 1.180 20.192 19.000 0.019 0.000 1.281 262 A HN 0.008 nan 8.150 nan 0.000 0.421 263 T N -1.360 113.153 114.554 -0.068 0.000 2.883 263 T HA 0.886 5.235 4.350 -0.002 0.000 0.301 263 T C -0.145 174.450 174.700 -0.175 0.000 1.158 263 T CA 0.160 62.148 62.100 -0.186 0.000 1.007 263 T CB 1.448 70.172 68.868 -0.240 0.000 1.186 263 T HN 2.139 nan 8.240 nan 0.000 0.499 264 S N 0.077 115.641 115.700 -0.226 0.000 2.740 264 S HA 0.505 4.974 4.470 -0.002 0.000 0.300 264 S C 0.826 175.318 174.600 -0.179 0.000 1.147 264 S CA -0.784 57.323 58.200 -0.156 0.000 0.871 264 S CB 1.691 64.837 63.200 -0.092 0.000 1.173 264 S HN 0.883 nan 8.310 nan 0.000 0.510 265 E N 0.689 120.827 120.200 -0.105 0.000 2.204 265 E HA -0.134 4.214 4.350 -0.002 0.000 0.194 265 E C 1.680 178.328 176.600 0.080 0.000 0.989 265 E CA 1.585 57.937 56.400 -0.080 0.000 0.824 265 E CB -0.211 29.441 29.700 -0.080 0.000 0.756 265 E HN 0.733 nan 8.360 nan 0.000 0.477 266 S N -0.563 115.162 115.700 0.042 0.000 2.461 266 S HA -0.060 4.409 4.470 -0.002 0.000 0.228 266 S C 1.949 176.480 174.600 -0.115 0.000 1.005 266 S CA 1.021 59.252 58.200 0.053 0.000 0.942 266 S CB -0.275 62.950 63.200 0.041 0.000 0.776 266 S HN 0.119 nan 8.310 nan 0.000 0.514 267 T N 2.434 116.849 114.554 -0.230 0.000 2.529 267 T HA -0.049 4.299 4.350 -0.002 0.000 0.261 267 T C 0.807 175.224 174.700 -0.471 0.000 1.110 267 T CA 1.632 63.452 62.100 -0.466 0.000 1.192 267 T CB -0.660 67.762 68.868 -0.742 0.000 0.864 267 T HN 0.510 nan 8.240 nan 0.000 0.407 268 F N 1.933 121.819 119.950 -0.106 0.000 2.725 268 F HA 0.210 4.736 4.527 -0.002 0.000 0.303 268 F C 2.336 178.120 175.800 -0.026 0.000 1.167 268 F CA -0.332 57.623 58.000 -0.074 0.000 1.403 268 F CB -1.143 37.860 39.000 0.005 0.000 1.077 268 F HN 0.190 nan 8.300 nan 0.000 0.537 269 S N -0.226 115.506 115.700 0.053 0.000 2.400 269 S HA -0.181 4.288 4.470 -0.002 0.000 0.232 269 S C 2.425 176.849 174.600 -0.293 0.000 1.025 269 S CA 1.322 59.407 58.200 -0.191 0.000 0.993 269 S CB -1.122 62.062 63.200 -0.027 0.000 0.808 269 S HN 0.410 nan 8.310 nan 0.000 0.478 270 G N 1.394 109.978 108.800 -0.360 0.000 2.470 270 G HA2 0.003 3.962 3.960 -0.002 0.000 0.220 270 G HA3 0.003 3.962 3.960 -0.002 0.000 0.220 270 G C 1.231 176.163 174.900 0.055 0.000 1.121 270 G CA 0.633 45.576 45.100 -0.262 0.000 0.766 270 G HN 0.468 nan 8.290 nan 0.000 0.553 271 L N 1.229 122.469 121.223 0.027 0.000 2.395 271 L HA 0.047 4.386 4.340 -0.002 0.000 0.218 271 L C 2.745 179.692 176.870 0.128 0.000 1.130 271 L CA 1.470 56.363 54.840 0.089 0.000 0.826 271 L CB -0.938 41.173 42.059 0.086 0.000 0.941 271 L HN 0.527 nan 8.230 nan 0.000 0.451 272 K N -0.669 119.777 120.400 0.077 0.000 2.144 272 K HA -0.256 4.062 4.320 -0.002 0.000 0.209 272 K C 1.754 178.431 176.600 0.130 0.000 1.047 272 K CA 1.784 58.114 56.287 0.073 0.000 0.927 272 K CB -0.583 31.843 32.500 -0.124 0.000 0.716 272 K HN 0.319 nan 8.250 nan 0.000 0.454 273 W N 3.543 124.842 121.300 -0.003 0.000 3.310 273 W HA 0.019 4.678 4.660 -0.002 0.000 0.259 273 W C 0.327 176.855 176.519 0.015 0.000 1.324 273 W CA 0.864 58.218 57.345 0.014 0.000 1.636 273 W CB -0.094 29.383 29.460 0.028 0.000 1.104 273 W HN 0.323 nan 8.180 nan 0.000 0.722 274 T N -2.300 112.361 114.554 0.178 0.000 2.870 274 T HA 0.292 4.641 4.350 -0.002 0.000 0.277 274 T C -0.209 174.523 174.700 0.054 0.000 1.000 274 T CA -0.634 61.529 62.100 0.105 0.000 0.982 274 T CB 2.097 71.008 68.868 0.072 0.000 1.249 274 T HN -0.190 nan 8.240 nan 0.000 0.589 275 N N 1.465 120.187 118.700 0.036 0.000 2.804 275 N HA 0.271 5.010 4.740 -0.002 0.000 0.251 275 N C -1.553 173.959 175.510 0.004 0.000 1.250 275 N CA -0.377 52.682 53.050 0.014 0.000 0.820 275 N CB 0.479 38.975 38.487 0.014 0.000 1.156 275 N HN 0.480 nan 8.380 nan 0.000 0.512 276 L N 2.334 123.558 121.223 0.001 0.000 2.262 276 L HA 0.318 4.657 4.340 -0.002 0.000 0.288 276 L C 1.551 178.417 176.870 -0.006 0.000 1.035 276 L CA 0.106 54.941 54.840 -0.009 0.000 0.820 276 L CB 1.161 43.210 42.059 -0.017 0.000 1.204 276 L HN 0.344 nan 8.230 nan 0.000 0.424 277 T N 2.496 117.056 114.554 0.010 0.000 2.739 277 T HA -0.038 4.311 4.350 -0.002 0.000 0.249 277 T C 0.622 175.408 174.700 0.144 0.000 1.050 277 T CA 0.844 62.983 62.100 0.066 0.000 1.165 277 T CB 0.225 69.140 68.868 0.078 0.000 0.872 277 T HN 0.541 nan 8.240 nan 0.000 0.411 278 Q N 0.645 120.517 119.800 0.121 0.000 2.312 278 Q HA 0.577 4.916 4.340 -0.002 0.000 0.263 278 Q C -1.866 174.153 176.000 0.031 0.000 0.995 278 Q CA -0.773 55.110 55.803 0.132 0.000 0.853 278 Q CB 1.352 30.129 28.738 0.066 0.000 1.300 278 Q HN 0.269 nan 8.270 nan 0.000 0.448 279 L N 3.204 124.439 121.223 0.019 0.000 2.409 279 L HA 0.555 4.894 4.340 -0.002 0.000 0.272 279 L C -1.787 175.080 176.870 -0.006 0.000 0.980 279 L CA -0.193 54.621 54.840 -0.043 0.000 0.826 279 L CB 2.144 44.120 42.059 -0.137 0.000 1.268 279 L HN 0.739 nan 8.230 nan 0.000 0.407 280 D N 3.839 124.247 120.400 0.013 0.000 2.362 280 D HA 0.572 5.211 4.640 -0.002 0.000 0.247 280 D C -0.367 175.984 176.300 0.086 0.000 1.050 280 D CA -0.183 53.852 54.000 0.060 0.000 0.839 280 D CB 1.315 42.156 40.800 0.069 0.000 1.283 280 D HN 0.639 nan 8.370 nan 0.000 0.477 281 L N 2.366 123.662 121.223 0.121 0.000 3.510 281 L HA 0.193 4.532 4.340 -0.002 0.000 0.324 281 L C 0.263 177.239 176.870 0.177 0.000 1.307 281 L CA -0.429 54.511 54.840 0.166 0.000 1.011 281 L CB 0.406 42.590 42.059 0.209 0.000 1.422 281 L HN 0.348 nan 8.230 nan 0.000 0.617 282 S N -1.402 114.417 115.700 0.199 0.000 2.576 282 S HA 0.195 4.664 4.470 -0.002 0.000 0.272 282 S C 0.123 174.941 174.600 0.364 0.000 1.352 282 S CA -0.212 58.148 58.200 0.266 0.000 1.021 282 S CB 0.015 63.443 63.200 0.380 0.000 0.887 282 S HN 0.274 nan 8.310 nan 0.000 0.542 283 Y N 0.143 120.525 120.300 0.136 0.000 2.982 283 Y HA -0.188 4.361 4.550 -0.002 0.000 0.192 283 Y C 0.803 176.758 175.900 0.092 0.000 1.397 283 Y CA 0.496 58.660 58.100 0.106 0.000 0.844 283 Y CB -2.194 36.294 38.460 0.047 0.000 1.290 283 Y HN 0.816 nan 8.280 nan 0.000 0.408 284 N N 0.870 119.684 118.700 0.189 0.000 2.232 284 N HA 0.021 4.759 4.740 -0.002 0.000 0.240 284 N C -0.047 175.539 175.510 0.126 0.000 1.307 284 N CA -0.005 53.139 53.050 0.156 0.000 0.859 284 N CB 0.302 38.883 38.487 0.157 0.000 1.260 284 N HN 0.515 nan 8.380 nan 0.000 0.501 285 N N 1.248 120.017 118.700 0.115 0.000 2.686 285 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 285 N C -0.072 175.510 175.510 0.120 0.000 1.082 285 N CA 0.440 53.554 53.050 0.107 0.000 0.725 285 N CB -1.017 37.533 38.487 0.106 0.000 1.009 285 N HN 0.330 nan 8.380 nan 0.000 0.545 286 L N 1.602 122.892 121.223 0.113 0.000 2.597 286 L HA -0.018 4.320 4.340 -0.002 0.000 0.271 286 L C 1.581 178.539 176.870 0.145 0.000 1.157 286 L CA 0.730 55.644 54.840 0.125 0.000 0.928 286 L CB 0.309 42.440 42.059 0.121 0.000 1.216 286 L HN 0.140 nan 8.230 nan 0.000 0.481 287 H N 2.429 121.538 119.070 0.065 0.000 2.639 287 H HA 0.267 4.822 4.556 -0.002 0.000 0.267 287 H C -0.528 174.844 175.328 0.073 0.000 0.958 287 H CA 0.153 56.242 56.048 0.070 0.000 1.221 287 H CB 0.606 30.401 29.762 0.055 0.000 1.446 287 H HN 0.686 nan 8.280 nan 0.000 0.512 288 D N -0.058 120.494 120.400 0.254 0.000 2.505 288 D HA 0.316 4.955 4.640 -0.002 0.000 0.249 288 D C -0.831 175.531 176.300 0.104 0.000 1.082 288 D CA -0.391 53.716 54.000 0.179 0.000 0.839 288 D CB 3.028 43.901 40.800 0.122 0.000 1.317 288 D HN -0.153 nan 8.370 nan 0.000 0.497 289 V N 2.470 122.440 119.914 0.094 0.000 2.384 289 V HA 0.453 4.572 4.120 -0.002 0.000 0.257 289 V C 0.956 177.061 176.094 0.018 0.000 0.969 289 V CA -0.857 61.477 62.300 0.058 0.000 0.910 289 V CB 0.952 32.849 31.823 0.124 0.000 1.150 289 V HN 0.696 nan 8.190 nan 0.000 0.481 290 G N 2.099 110.884 108.800 -0.025 0.000 2.818 290 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.235 290 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.235 290 G C 0.185 175.062 174.900 -0.039 0.000 1.244 290 G CA -0.157 44.926 45.100 -0.029 0.000 0.853 290 G HN 0.585 nan 8.290 nan 0.000 0.596 291 N N 0.428 119.126 118.700 -0.003 0.000 2.483 291 N HA 0.194 4.933 4.740 -0.002 0.000 0.264 291 N C 1.303 176.799 175.510 -0.024 0.000 1.197 291 N CA 1.235 54.297 53.050 0.020 0.000 0.927 291 N CB 0.996 39.509 38.487 0.043 0.000 1.065 291 N HN 1.079 nan 8.380 nan 0.000 0.461 292 G N 1.666 110.462 108.800 -0.005 0.000 2.283 292 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.280 292 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.280 292 G C 0.956 175.724 174.900 -0.219 0.000 1.029 292 G CA 0.620 45.670 45.100 -0.084 0.000 0.840 292 G HN 0.542 nan 8.290 nan 0.000 0.505 293 S N -0.961 114.566 115.700 -0.289 0.000 2.447 293 S HA 0.080 4.549 4.470 -0.002 0.000 0.233 293 S C 1.304 175.616 174.600 -0.480 0.000 1.006 293 S CA 1.274 59.204 58.200 -0.451 0.000 0.957 293 S CB -0.168 62.615 63.200 -0.694 0.000 0.773 293 S HN 0.498 nan 8.310 nan 0.000 0.507 294 F N 0.861 120.783 119.950 -0.048 0.000 2.654 294 F HA 0.234 4.760 4.527 -0.002 0.000 0.303 294 F C 1.951 177.624 175.800 -0.211 0.000 1.099 294 F CA -0.438 57.522 58.000 -0.066 0.000 1.270 294 F CB -0.496 38.450 39.000 -0.089 0.000 1.024 294 F HN 0.089 nan 8.300 nan 0.000 0.548 295 S N -1.173 114.353 115.700 -0.291 0.000 2.493 295 S HA -0.236 4.233 4.470 -0.002 0.000 0.243 295 S C 1.329 175.687 174.600 -0.403 0.000 0.991 295 S CA 1.115 58.980 58.200 -0.559 0.000 0.957 295 S CB -0.999 61.773 63.200 -0.713 0.000 0.756 295 S HN 0.579 nan 8.310 nan 0.000 0.521 296 Y N 0.859 121.144 120.300 -0.025 0.000 2.461 296 Y HA 0.444 4.993 4.550 -0.002 0.000 0.277 296 Y C 0.627 176.537 175.900 0.017 0.000 1.182 296 Y CA -0.432 57.675 58.100 0.011 0.000 1.276 296 Y CB 0.166 38.667 38.460 0.068 0.000 1.087 296 Y HN 0.208 nan 8.280 nan 0.000 0.519 297 L N 2.851 124.148 121.223 0.124 0.000 2.825 297 L HA 0.256 4.595 4.340 -0.002 0.000 0.236 297 L C -1.929 174.949 176.870 0.014 0.000 1.301 297 L CA -1.266 53.616 54.840 0.070 0.000 0.977 297 L CB 0.458 42.553 42.059 0.061 0.000 1.300 297 L HN -0.088 nan 8.230 nan 0.000 0.486 298 P HA -0.042 nan 4.420 nan 0.000 0.259 298 P C 0.879 178.169 177.300 -0.016 0.000 1.307 298 P CA 0.679 63.771 63.100 -0.014 0.000 0.768 298 P CB 0.694 32.385 31.700 -0.015 0.000 1.199 299 S N -1.473 114.216 115.700 -0.018 0.000 2.684 299 S HA 0.150 4.618 4.470 -0.002 0.000 0.268 299 S C 0.419 174.992 174.600 -0.045 0.000 1.075 299 S CA -0.418 57.761 58.200 -0.034 0.000 1.184 299 S CB -0.276 62.908 63.200 -0.025 0.000 1.129 299 S HN 0.069 nan 8.310 nan 0.000 0.630 300 L N 3.360 124.560 121.223 -0.038 0.000 2.584 300 L HA 0.213 4.552 4.340 -0.002 0.000 0.272 300 L C 0.939 177.749 176.870 -0.100 0.000 1.195 300 L CA 0.356 55.165 54.840 -0.052 0.000 0.920 300 L CB 0.463 42.485 42.059 -0.061 0.000 1.173 300 L HN 0.208 nan 8.230 nan 0.000 0.489 301 R N 3.445 123.847 120.500 -0.164 0.000 2.225 301 R HA 0.175 4.514 4.340 -0.002 0.000 0.194 301 R C -0.708 175.215 176.300 -0.629 0.000 0.957 301 R CA 0.152 55.998 56.100 -0.423 0.000 1.042 301 R CB 0.241 30.182 30.300 -0.598 0.000 1.004 301 R HN 0.462 nan 8.270 nan 0.000 0.509 302 Y N 0.416 120.737 120.300 0.034 0.000 2.462 302 Y HA 0.563 5.112 4.550 -0.002 0.000 0.346 302 Y C -0.791 175.137 175.900 0.047 0.000 0.976 302 Y CA -1.527 56.644 58.100 0.118 0.000 1.044 302 Y CB 2.160 40.678 38.460 0.097 0.000 1.230 302 Y HN -0.217 nan 8.280 nan 0.000 0.455 303 L N 2.333 123.665 121.223 0.182 0.000 2.639 303 L HA 0.523 4.862 4.340 -0.002 0.000 0.264 303 L C -1.209 175.655 176.870 -0.010 0.000 0.948 303 L CA -0.330 54.518 54.840 0.013 0.000 0.912 303 L CB 1.999 43.975 42.059 -0.138 0.000 1.294 303 L HN 0.540 nan 8.230 nan 0.000 0.412 304 S N 4.982 120.706 115.700 0.040 0.000 2.438 304 S HA 0.592 5.060 4.470 -0.002 0.000 0.316 304 S C -0.104 174.526 174.600 0.049 0.000 1.084 304 S CA -0.415 57.812 58.200 0.046 0.000 1.107 304 S CB 0.698 63.978 63.200 0.133 0.000 0.981 304 S HN 0.626 nan 8.310 nan 0.000 0.466 305 L N 4.571 125.805 121.223 0.017 0.000 2.928 305 L HA 0.422 4.761 4.340 -0.002 0.000 0.246 305 L C 0.758 177.619 176.870 -0.016 0.000 1.239 305 L CA 0.203 55.057 54.840 0.025 0.000 1.035 305 L CB -0.348 41.720 42.059 0.015 0.000 1.360 305 L HN 0.729 nan 8.230 nan 0.000 0.529 306 E N -0.590 119.627 120.200 0.029 0.000 2.458 306 E HA -0.086 4.263 4.350 -0.002 0.000 0.264 306 E C -0.474 176.114 176.600 -0.019 0.000 1.097 306 E CA -0.010 56.398 56.400 0.013 0.000 0.973 306 E CB 0.123 29.970 29.700 0.246 0.000 0.963 306 E HN 0.091 nan 8.360 nan 0.000 0.451 307 Y N 0.282 120.379 120.300 -0.339 0.000 2.984 307 Y HA -0.287 4.262 4.550 -0.002 0.000 0.193 307 Y C 0.018 175.715 175.900 -0.338 0.000 1.413 307 Y CA 0.501 58.305 58.100 -0.494 0.000 0.832 307 Y CB -1.429 36.325 38.460 -1.176 0.000 1.314 307 Y HN 0.403 nan 8.280 nan 0.000 0.386 308 N N 0.715 119.334 118.700 -0.135 0.000 2.647 308 N HA 0.308 5.047 4.740 -0.002 0.000 0.266 308 N C -0.722 174.749 175.510 -0.065 0.000 1.373 308 N CA -0.993 52.023 53.050 -0.057 0.000 0.807 308 N CB 1.363 39.834 38.487 -0.026 0.000 1.513 308 N HN 0.267 nan 8.380 nan 0.000 0.505 309 N N 1.314 120.010 118.700 -0.007 0.000 3.112 309 N HA 0.350 5.089 4.740 -0.002 0.000 0.270 309 N C -0.681 174.802 175.510 -0.044 0.000 1.385 309 N CA -0.067 52.977 53.050 -0.010 0.000 0.986 309 N CB 0.816 39.323 38.487 0.032 0.000 1.261 309 N HN 0.430 nan 8.380 nan 0.000 0.495 310 I N 1.477 122.050 120.570 0.006 0.000 2.395 310 I HA 0.005 4.173 4.170 -0.002 0.000 0.289 310 I C 1.697 177.862 176.117 0.080 0.000 1.023 310 I CA -0.146 61.200 61.300 0.076 0.000 1.350 310 I CB 1.827 39.963 38.000 0.227 0.000 1.409 310 I HN 0.228 nan 8.210 nan 0.000 0.507 311 Q N 5.846 125.578 119.800 -0.114 0.000 2.020 311 Q HA -0.024 4.315 4.340 -0.002 0.000 0.198 311 Q C 0.139 176.145 176.000 0.010 0.000 0.974 311 Q CA 1.495 57.227 55.803 -0.119 0.000 0.829 311 Q CB 0.318 28.974 28.738 -0.136 0.000 0.894 311 Q HN 0.732 nan 8.270 nan 0.000 0.433 312 R N -2.295 118.240 120.500 0.059 0.000 2.741 312 R HA 0.535 4.874 4.340 -0.002 0.000 0.274 312 R C -1.722 174.637 176.300 0.099 0.000 1.029 312 R CA -0.776 55.336 56.100 0.020 0.000 0.880 312 R CB 0.445 30.743 30.300 -0.003 0.000 1.264 312 R HN 0.006 nan 8.270 nan 0.000 0.465 313 L N 2.417 123.676 121.223 0.060 0.000 2.442 313 L HA 0.399 4.737 4.340 -0.002 0.000 0.261 313 L C -0.149 176.773 176.870 0.087 0.000 1.000 313 L CA -0.852 54.080 54.840 0.153 0.000 0.882 313 L CB 1.842 44.051 42.059 0.249 0.000 1.207 313 L HN 0.959 nan 8.230 nan 0.000 0.443 314 S N 2.287 118.056 115.700 0.115 0.000 2.617 314 S HA 0.333 4.801 4.470 -0.002 0.000 0.259 314 S C -1.353 173.344 174.600 0.163 0.000 1.301 314 S CA -0.877 57.383 58.200 0.100 0.000 0.984 314 S CB 0.631 63.892 63.200 0.102 0.000 0.954 314 S HN 0.442 nan 8.310 nan 0.000 0.572 315 P HA -0.145 nan 4.420 nan 0.000 0.216 315 P C 1.139 178.737 177.300 0.496 0.000 1.150 315 P CA 1.228 64.467 63.100 0.232 0.000 0.837 315 P CB 0.008 31.808 31.700 0.168 0.000 0.786 316 R N -0.113 120.626 120.500 0.399 0.000 2.323 316 R HA 0.129 4.468 4.340 -0.002 0.000 0.198 316 R C 2.208 178.723 176.300 0.358 0.000 0.988 316 R CA 0.416 56.758 56.100 0.404 0.000 1.041 316 R CB -1.100 29.321 30.300 0.201 0.000 0.926 316 R HN 0.043 nan 8.270 nan 0.000 0.476 317 S N -0.311 115.631 115.700 0.403 0.000 2.343 317 S HA -0.104 4.365 4.470 -0.002 0.000 0.219 317 S C 0.750 175.532 174.600 0.305 0.000 1.033 317 S CA 1.238 59.635 58.200 0.327 0.000 1.014 317 S CB -0.192 63.248 63.200 0.401 0.000 0.915 317 S HN 0.343 nan 8.310 nan 0.000 0.435 318 F N 0.441 120.661 119.950 0.449 0.000 2.773 318 F HA 0.283 4.809 4.527 -0.002 0.000 0.304 318 F C 0.448 176.366 175.800 0.198 0.000 1.129 318 F CA -0.922 57.343 58.000 0.442 0.000 1.378 318 F CB -0.578 38.756 39.000 0.556 0.000 1.095 318 F HN 0.166 nan 8.300 nan 0.000 0.565 319 Y N 1.329 121.517 120.300 -0.187 0.000 2.729 319 Y HA 0.342 4.891 4.550 -0.002 0.000 0.331 319 Y C 1.073 176.770 175.900 -0.338 0.000 1.208 319 Y CA 0.546 58.127 58.100 -0.866 0.000 1.521 319 Y CB 0.204 38.125 38.460 -0.898 0.000 1.233 319 Y HN 0.305 nan 8.280 nan 0.000 0.539 320 G N 4.185 112.504 108.800 -0.802 0.000 2.796 320 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.198 320 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.198 320 G C -0.236 174.553 174.900 -0.185 0.000 1.062 320 G CA -0.144 44.612 45.100 -0.573 0.000 0.752 320 G HN 0.604 nan 8.290 nan 0.000 0.487 321 L N 3.559 124.773 121.223 -0.015 0.000 2.387 321 L HA 0.403 4.742 4.340 -0.002 0.000 0.267 321 L C 1.559 178.506 176.870 0.129 0.000 1.197 321 L CA 0.354 55.227 54.840 0.054 0.000 1.070 321 L CB 0.861 42.964 42.059 0.074 0.000 1.349 321 L HN 0.371 nan 8.230 nan 0.000 0.422 322 S N -1.152 114.607 115.700 0.098 0.000 2.556 322 S HA 0.045 4.514 4.470 -0.002 0.000 0.216 322 S C 1.194 175.907 174.600 0.188 0.000 0.970 322 S CA -0.289 58.020 58.200 0.181 0.000 0.912 322 S CB 0.104 63.403 63.200 0.164 0.000 0.790 322 S HN 0.612 nan 8.310 nan 0.000 0.504 323 N N 0.595 119.348 118.700 0.088 0.000 2.273 323 N HA 0.214 4.953 4.740 -0.002 0.000 0.192 323 N C -0.001 175.499 175.510 -0.018 0.000 1.132 323 N CA -0.116 52.941 53.050 0.012 0.000 0.887 323 N CB 0.091 38.546 38.487 -0.052 0.000 1.048 323 N HN 0.313 nan 8.380 nan 0.000 0.490 324 L N 2.167 123.394 121.223 0.007 0.000 2.593 324 L HA -0.055 4.283 4.340 -0.002 0.000 0.287 324 L C 1.121 177.977 176.870 -0.024 0.000 1.243 324 L CA 1.003 55.822 54.840 -0.036 0.000 0.890 324 L CB 0.391 42.462 42.059 0.020 0.000 1.134 324 L HN 0.067 nan 8.230 nan 0.000 0.502 325 R N 3.464 123.899 120.500 -0.108 0.000 2.517 325 R HA 0.137 4.476 4.340 -0.002 0.000 0.265 325 R C -1.052 175.296 176.300 0.080 0.000 0.921 325 R CA -0.182 55.895 56.100 -0.040 0.000 1.054 325 R CB 0.669 30.896 30.300 -0.122 0.000 1.340 325 R HN 0.636 nan 8.270 nan 0.000 0.551 326 Y N 0.987 121.234 120.300 -0.088 0.000 2.315 326 Y HA 0.464 5.013 4.550 -0.002 0.000 0.324 326 Y C -1.923 173.999 175.900 0.037 0.000 1.062 326 Y CA -1.391 56.716 58.100 0.012 0.000 1.159 326 Y CB 1.207 39.679 38.460 0.020 0.000 1.145 326 Y HN -0.146 nan 8.280 nan 0.000 0.442 327 L N 5.311 126.325 121.223 -0.349 0.000 2.346 327 L HA 0.723 5.062 4.340 -0.002 0.000 0.276 327 L C -0.997 175.620 176.870 -0.422 0.000 1.006 327 L CA -0.247 54.382 54.840 -0.352 0.000 0.817 327 L CB 2.130 44.102 42.059 -0.145 0.000 1.272 327 L HN 0.609 nan 8.230 nan 0.000 0.421 328 S N 5.243 120.718 115.700 -0.375 0.000 2.596 328 S HA 0.561 5.029 4.470 -0.002 0.000 0.318 328 S C -0.233 174.306 174.600 -0.103 0.000 1.097 328 S CA -0.576 57.494 58.200 -0.218 0.000 1.080 328 S CB 0.488 63.564 63.200 -0.205 0.000 0.991 328 S HN 0.689 nan 8.310 nan 0.000 0.471 329 L N 4.248 125.419 121.223 -0.088 0.000 3.141 329 L HA 0.390 4.729 4.340 -0.002 0.000 0.267 329 L C 0.620 177.351 176.870 -0.232 0.000 1.281 329 L CA -0.298 54.441 54.840 -0.167 0.000 1.037 329 L CB 0.152 42.151 42.059 -0.101 0.000 1.407 329 L HN 0.571 nan 8.230 nan 0.000 0.566 330 K N 1.744 122.031 120.400 -0.188 0.000 2.402 330 K HA -0.051 4.268 4.320 -0.002 0.000 0.279 330 K C 0.647 176.963 176.600 -0.473 0.000 1.082 330 K CA -0.034 56.099 56.287 -0.258 0.000 1.080 330 K CB 0.171 32.560 32.500 -0.184 0.000 0.899 330 K HN 0.083 nan 8.250 nan 0.000 0.469 331 R N 2.683 122.928 120.500 -0.426 0.000 3.422 331 R HA -0.234 4.105 4.340 -0.002 0.000 0.267 331 R C -0.248 175.798 176.300 -0.423 0.000 1.074 331 R CA 1.066 56.893 56.100 -0.454 0.000 0.718 331 R CB -1.886 27.952 30.300 -0.770 0.000 1.157 331 R HN 0.705 nan 8.270 nan 0.000 0.440 332 A N -0.545 121.978 122.820 -0.496 0.000 2.308 332 A HA 0.387 4.705 4.320 -0.002 0.000 0.217 332 A C -0.247 176.894 177.584 -0.739 0.000 1.216 332 A CA 0.265 51.942 52.037 -0.599 0.000 0.864 332 A CB 0.156 18.765 19.000 -0.651 0.000 0.902 332 A HN 0.194 nan 8.150 nan 0.000 0.499 333 F N -1.569 118.362 119.950 -0.031 0.000 2.551 333 F HA 0.463 4.989 4.527 -0.002 0.000 0.316 333 F C 0.746 176.524 175.800 -0.036 0.000 1.089 333 F CA -1.120 56.866 58.000 -0.024 0.000 0.915 333 F CB 1.056 40.055 39.000 -0.002 0.000 1.186 333 F HN -0.145 nan 8.300 nan 0.000 0.456 334 T N 2.667 117.296 114.554 0.125 0.000 2.906 334 T HA -0.004 4.344 4.350 -0.002 0.000 0.329 334 T C 0.456 175.202 174.700 0.078 0.000 1.091 334 T CA -0.222 61.913 62.100 0.059 0.000 1.127 334 T CB 0.105 68.975 68.868 0.002 0.000 1.035 334 T HN 0.354 nan 8.240 nan 0.000 0.547 335 K N 3.100 123.536 120.400 0.060 0.000 2.397 335 K HA 0.034 4.353 4.320 -0.002 0.000 0.265 335 K C 0.490 177.131 176.600 0.068 0.000 0.982 335 K CA 0.094 56.418 56.287 0.061 0.000 0.931 335 K CB 0.354 32.885 32.500 0.053 0.000 0.943 335 K HN 0.700 nan 8.250 nan 0.000 0.501 336 Q N 0.570 120.413 119.800 0.073 0.000 2.288 336 Q HA 0.072 4.411 4.340 -0.002 0.000 0.254 336 Q C 0.235 176.273 176.000 0.064 0.000 0.932 336 Q CA -0.090 55.766 55.803 0.087 0.000 0.902 336 Q CB 0.889 29.684 28.738 0.095 0.000 1.203 336 Q HN 0.536 nan 8.270 nan 0.000 0.415 337 S N 1.830 117.562 115.700 0.053 0.000 2.404 337 S HA -0.039 4.429 4.470 -0.002 0.000 0.223 337 S C 1.306 175.928 174.600 0.037 0.000 1.040 337 S CA 0.558 58.778 58.200 0.034 0.000 0.957 337 S CB 0.196 63.403 63.200 0.013 0.000 0.826 337 S HN 0.676 nan 8.310 nan 0.000 0.491 338 V N 0.460 120.405 119.914 0.052 0.000 0.516 338 V HA -0.375 3.744 4.120 -0.002 0.000 0.092 338 V C 2.124 178.240 176.094 0.036 0.000 2.243 338 V CA 2.210 64.544 62.300 0.058 0.000 3.573 338 V CB -2.033 29.816 31.823 0.043 0.000 0.862 338 V HN 0.626 nan 8.190 nan 0.000 0.902 339 S N 0.332 116.046 115.700 0.023 0.000 2.406 339 S HA 0.170 4.639 4.470 -0.002 0.000 0.224 339 S C 1.377 175.981 174.600 0.006 0.000 1.030 339 S CA 1.487 59.696 58.200 0.015 0.000 0.958 339 S CB -0.124 63.085 63.200 0.015 0.000 0.811 339 S HN 0.684 nan 8.310 nan 0.000 0.489 340 L N 1.342 122.565 121.223 0.001 0.000 2.628 340 L HA 0.440 4.779 4.340 -0.002 0.000 0.229 340 L C 1.076 177.922 176.870 -0.041 0.000 1.137 340 L CA 0.072 54.905 54.840 -0.012 0.000 0.909 340 L CB -0.792 41.264 42.059 -0.004 0.000 1.137 340 L HN 0.385 nan 8.230 nan 0.000 0.470 341 A N 0.412 123.202 122.820 -0.049 0.000 2.312 341 A HA -0.209 4.109 4.320 -0.002 0.000 0.286 341 A C 0.837 178.269 177.584 -0.253 0.000 1.425 341 A CA 0.921 52.879 52.037 -0.132 0.000 0.748 341 A CB -1.666 17.274 19.000 -0.099 0.000 1.126 341 A HN 0.376 nan 8.150 nan 0.000 0.368 342 S N 0.152 115.730 115.700 -0.204 0.000 2.751 342 S HA 0.274 4.743 4.470 -0.002 0.000 0.247 342 S C 0.012 174.537 174.600 -0.125 0.000 1.103 342 S CA -0.003 58.094 58.200 -0.172 0.000 1.090 342 S CB -0.046 63.124 63.200 -0.050 0.000 0.928 342 S HN 0.991 nan 8.310 nan 0.000 0.502 343 H N 1.626 120.700 119.070 0.007 0.000 3.017 343 H HA 0.368 4.923 4.556 -0.002 0.000 0.276 343 H C -2.454 172.866 175.328 -0.013 0.000 1.062 343 H CA -2.126 53.924 56.048 0.003 0.000 1.486 343 H CB -0.645 29.117 29.762 -0.000 0.000 1.507 343 H HN 0.105 nan 8.280 nan 0.000 0.508 344 P HA 0.087 nan 4.420 nan 0.000 0.269 344 P C -0.503 176.783 177.300 -0.023 0.000 1.215 344 P CA -0.152 62.971 63.100 0.039 0.000 0.780 344 P CB 1.097 32.829 31.700 0.053 0.000 0.898 345 N N 1.228 119.851 118.700 -0.128 0.000 2.815 345 N HA 0.198 4.936 4.740 -0.002 0.000 0.253 345 N C -1.182 174.166 175.510 -0.271 0.000 1.202 345 N CA -0.791 52.126 53.050 -0.221 0.000 0.925 345 N CB 0.881 39.312 38.487 -0.093 0.000 1.622 345 N HN 0.366 nan 8.380 nan 0.000 0.497 346 I N -0.971 119.390 120.570 -0.350 0.000 2.392 346 I HA 0.576 4.745 4.170 -0.002 0.000 0.295 346 I C -0.506 175.456 176.117 -0.259 0.000 0.985 346 I CA -0.764 60.354 61.300 -0.303 0.000 1.221 346 I CB 1.065 38.841 38.000 -0.373 0.000 1.366 346 I HN 0.471 nan 8.210 nan 0.000 0.467 347 D N 3.639 123.911 120.400 -0.213 0.000 2.478 347 D HA 0.293 4.932 4.640 -0.002 0.000 0.263 347 D C -0.517 175.617 176.300 -0.277 0.000 1.153 347 D CA -0.633 53.244 54.000 -0.205 0.000 1.038 347 D CB 0.459 41.188 40.800 -0.118 0.000 1.120 347 D HN 0.442 nan 8.370 nan 0.000 0.564 348 D N -0.840 119.387 120.400 -0.289 0.000 2.364 348 D HA 0.004 4.643 4.640 -0.002 0.000 0.236 348 D C 0.330 176.457 176.300 -0.290 0.000 1.221 348 D CA 0.147 53.880 54.000 -0.446 0.000 0.891 348 D CB -0.007 40.425 40.800 -0.614 0.000 1.190 348 D HN 0.397 nan 8.370 nan 0.000 0.449 349 F N -0.355 119.462 119.950 -0.221 0.000 3.079 349 F HA -0.246 4.280 4.527 -0.002 0.000 0.274 349 F C 1.499 177.145 175.800 -0.258 0.000 0.940 349 F CA 0.368 58.228 58.000 -0.233 0.000 0.932 349 F CB -2.463 36.410 39.000 -0.211 0.000 0.891 349 F HN 0.099 nan 8.300 nan 0.000 0.722 350 S N -1.651 113.922 115.700 -0.212 0.000 2.517 350 S HA 0.203 4.672 4.470 -0.002 0.000 0.214 350 S C 1.065 175.530 174.600 -0.226 0.000 0.991 350 S CA 0.075 58.144 58.200 -0.220 0.000 0.906 350 S CB 0.034 62.981 63.200 -0.421 0.000 0.789 350 S HN 0.335 nan 8.310 nan 0.000 0.513 351 F N 2.082 121.972 119.950 -0.101 0.000 2.682 351 F HA 0.222 4.748 4.527 -0.002 0.000 0.308 351 F C 2.010 177.743 175.800 -0.112 0.000 1.093 351 F CA -1.013 56.910 58.000 -0.128 0.000 1.244 351 F CB -0.616 38.325 39.000 -0.099 0.000 1.052 351 F HN 0.224 nan 8.300 nan 0.000 0.573 352 Q N -0.740 118.998 119.800 -0.103 0.000 2.308 352 Q HA -0.230 4.109 4.340 -0.002 0.000 0.209 352 Q C 1.150 177.018 176.000 -0.221 0.000 0.985 352 Q CA 2.287 57.939 55.803 -0.252 0.000 0.881 352 Q CB -0.847 27.581 28.738 -0.516 0.000 0.917 352 Q HN 0.577 nan 8.270 nan 0.000 0.443 353 W N 1.104 122.529 121.300 0.209 0.000 2.576 353 W HA 0.205 4.864 4.660 -0.002 0.000 0.270 353 W C 0.610 177.227 176.519 0.163 0.000 1.255 353 W CA -0.457 57.015 57.345 0.211 0.000 1.314 353 W CB 0.181 29.824 29.460 0.304 0.000 1.101 353 W HN -0.044 nan 8.180 nan 0.000 0.595 354 L N 2.857 124.280 121.223 0.334 0.000 2.672 354 L HA 0.121 4.460 4.340 -0.002 0.000 0.238 354 L C 1.389 178.311 176.870 0.087 0.000 1.392 354 L CA 0.036 54.996 54.840 0.200 0.000 1.238 354 L CB -0.711 41.415 42.059 0.111 0.000 1.548 354 L HN 0.061 nan 8.230 nan 0.000 0.423 355 K N -1.736 118.693 120.400 0.049 0.000 2.515 355 K HA -0.140 4.179 4.320 -0.002 0.000 0.196 355 K C 0.733 177.143 176.600 -0.315 0.000 1.038 355 K CA 1.350 57.554 56.287 -0.139 0.000 0.967 355 K CB -0.201 32.173 32.500 -0.209 0.000 0.780 355 K HN 0.289 nan 8.250 nan 0.000 0.483 356 Y N 0.210 120.529 120.300 0.032 0.000 2.481 356 Y HA 0.299 4.848 4.550 -0.002 0.000 0.247 356 Y C 0.139 176.028 175.900 -0.018 0.000 1.151 356 Y CA -1.377 56.724 58.100 0.002 0.000 1.238 356 Y CB 0.468 38.926 38.460 -0.003 0.000 1.179 356 Y HN 0.013 nan 8.280 nan 0.000 0.524 357 L N 1.990 123.261 121.223 0.079 0.000 2.456 357 L HA 0.121 4.460 4.340 -0.002 0.000 0.272 357 L C 0.966 177.843 176.870 0.012 0.000 1.189 357 L CA 0.743 55.603 54.840 0.033 0.000 0.846 357 L CB 0.659 42.697 42.059 -0.034 0.000 1.111 357 L HN 0.442 nan 8.230 nan 0.000 0.475 358 E N 3.202 123.431 120.200 0.048 0.000 2.676 358 E HA 0.072 4.421 4.350 -0.002 0.000 0.225 358 E C -0.771 175.886 176.600 0.094 0.000 0.944 358 E CA -0.260 56.137 56.400 -0.004 0.000 1.156 358 E CB 0.268 29.957 29.700 -0.019 0.000 1.117 358 E HN 0.545 nan 8.360 nan 0.000 0.523 359 Y N 1.267 121.600 120.300 0.056 0.000 2.344 359 Y HA 0.430 4.979 4.550 -0.002 0.000 0.328 359 Y C -1.913 173.993 175.900 0.010 0.000 1.067 359 Y CA -1.516 56.680 58.100 0.160 0.000 1.247 359 Y CB 1.475 40.168 38.460 0.390 0.000 1.113 359 Y HN 0.095 nan 8.280 nan 0.000 0.465 360 L N 7.216 128.431 121.223 -0.013 0.000 2.325 360 L HA 0.555 4.894 4.340 -0.002 0.000 0.281 360 L C -1.601 175.179 176.870 -0.149 0.000 1.004 360 L CA -0.388 54.389 54.840 -0.104 0.000 0.823 360 L CB 1.345 43.247 42.059 -0.263 0.000 1.236 360 L HN 0.745 nan 8.230 nan 0.000 0.415 361 N N 5.684 124.357 118.700 -0.044 0.000 2.314 361 N HA 0.470 5.209 4.740 -0.002 0.000 0.294 361 N C -0.931 174.573 175.510 -0.009 0.000 1.029 361 N CA -0.273 52.758 53.050 -0.033 0.000 0.845 361 N CB 1.702 40.249 38.487 0.101 0.000 1.321 361 N HN 0.779 nan 8.380 nan 0.000 0.481 362 M N 1.768 121.366 119.600 -0.003 0.000 3.181 362 M HA 0.192 4.671 4.480 -0.002 0.000 0.422 362 M C -0.828 175.451 176.300 -0.036 0.000 1.481 362 M CA -0.600 54.717 55.300 0.028 0.000 0.783 362 M CB 0.532 33.219 32.600 0.146 0.000 1.437 362 M HN 0.284 nan 8.290 nan 0.000 0.505 363 D N 1.124 121.488 120.400 -0.060 0.000 2.369 363 D HA 0.006 4.644 4.640 -0.002 0.000 0.241 363 D C 0.381 176.621 176.300 -0.101 0.000 1.271 363 D CA 0.561 54.517 54.000 -0.074 0.000 0.942 363 D CB 0.446 41.216 40.800 -0.050 0.000 1.129 363 D HN 0.184 nan 8.370 nan 0.000 0.476 364 D N 0.657 121.008 120.400 -0.082 0.000 2.904 364 D HA -0.169 4.470 4.640 -0.002 0.000 0.231 364 D C -0.799 175.456 176.300 -0.074 0.000 1.185 364 D CA 0.760 54.711 54.000 -0.083 0.000 0.783 364 D CB -0.654 40.060 40.800 -0.144 0.000 0.961 364 D HN 0.302 nan 8.370 nan 0.000 0.409 365 N N 0.222 118.904 118.700 -0.029 0.000 3.039 365 N HA 0.263 5.002 4.740 -0.002 0.000 0.257 365 N C 0.314 175.855 175.510 0.052 0.000 1.497 365 N CA -0.587 52.487 53.050 0.040 0.000 0.861 365 N CB 0.645 39.221 38.487 0.148 0.000 1.479 365 N HN 0.093 nan 8.380 nan 0.000 0.547 366 N N -0.191 118.570 118.700 0.103 0.000 2.187 366 N HA 0.261 5.000 4.740 -0.002 0.000 0.212 366 N C -0.402 175.155 175.510 0.077 0.000 1.152 366 N CA -0.216 52.885 53.050 0.085 0.000 0.872 366 N CB 0.592 39.135 38.487 0.094 0.000 1.025 366 N HN 0.380 nan 8.380 nan 0.000 0.514 367 I N 2.045 122.653 120.570 0.063 0.000 2.989 367 I HA -0.124 4.044 4.170 -0.002 0.000 0.311 367 I C -1.380 174.829 176.117 0.155 0.000 1.221 367 I CA -0.691 60.642 61.300 0.056 0.000 1.449 367 I CB 0.200 38.252 38.000 0.087 0.000 1.325 367 I HN -0.032 nan 8.210 nan 0.000 0.557 368 P HA -0.121 nan 4.420 nan 0.000 0.210 368 P C 0.191 177.505 177.300 0.023 0.000 1.185 368 P CA 1.244 64.312 63.100 -0.052 0.000 0.924 368 P CB 0.263 31.840 31.700 -0.204 0.000 0.786 369 S N -4.152 111.519 115.700 -0.049 0.000 2.703 369 S HA 0.402 4.871 4.470 -0.002 0.000 0.273 369 S C -1.051 173.357 174.600 -0.319 0.000 1.178 369 S CA -0.388 57.639 58.200 -0.288 0.000 0.838 369 S CB 0.201 63.222 63.200 -0.298 0.000 1.178 369 S HN 0.124 nan 8.310 nan 0.000 0.494 370 T N 0.634 114.880 114.554 -0.513 0.000 2.828 370 T HA 0.605 4.954 4.350 -0.002 0.000 0.290 370 T C -0.297 174.204 174.700 -0.331 0.000 1.019 370 T CA -0.412 61.457 62.100 -0.386 0.000 1.031 370 T CB 0.441 69.060 68.868 -0.416 0.000 1.001 370 T HN 0.654 nan 8.240 nan 0.000 0.531 371 K N 0.231 120.430 120.400 -0.334 0.000 2.306 371 K HA 0.445 4.764 4.320 -0.002 0.000 0.236 371 K C 1.551 177.961 176.600 -0.317 0.000 1.013 371 K CA -0.660 55.445 56.287 -0.303 0.000 0.857 371 K CB 1.588 33.905 32.500 -0.305 0.000 1.214 371 K HN 0.716 nan 8.250 nan 0.000 0.449 372 S N -0.018 115.512 115.700 -0.284 0.000 2.419 372 S HA -0.128 4.341 4.470 -0.002 0.000 0.235 372 S C 0.846 175.239 174.600 -0.345 0.000 1.019 372 S CA 1.034 59.065 58.200 -0.282 0.000 0.982 372 S CB -0.176 62.889 63.200 -0.225 0.000 0.789 372 S HN 0.552 nan 8.310 nan 0.000 0.490 373 N N 0.179 118.615 118.700 -0.440 0.000 2.299 373 N HA 0.199 4.938 4.740 -0.002 0.000 0.246 373 N C 0.194 175.341 175.510 -0.605 0.000 1.254 373 N CA 0.224 52.913 53.050 -0.602 0.000 0.879 373 N CB 0.720 38.566 38.487 -1.068 0.000 1.214 373 N HN 0.320 nan 8.380 nan 0.000 0.510 374 T N 0.388 114.625 114.554 -0.528 0.000 2.569 374 T HA -0.095 4.254 4.350 -0.002 0.000 0.263 374 T C 1.115 175.527 174.700 -0.480 0.000 1.074 374 T CA 1.313 63.041 62.100 -0.620 0.000 1.176 374 T CB -0.277 68.073 68.868 -0.864 0.000 0.863 374 T HN 0.160 nan 8.240 nan 0.000 0.410 375 F N 2.002 121.957 119.950 0.007 0.000 2.754 375 F HA 0.186 4.712 4.527 -0.002 0.000 0.303 375 F C 1.271 177.091 175.800 0.033 0.000 1.196 375 F CA -0.296 57.766 58.000 0.104 0.000 1.416 375 F CB -1.555 37.505 39.000 0.099 0.000 1.092 375 F HN -0.049 nan 8.300 nan 0.000 0.541 376 T N 0.364 114.934 114.554 0.028 0.000 2.853 376 T HA 0.385 4.734 4.350 -0.002 0.000 0.298 376 T C 1.233 175.998 174.700 0.109 0.000 0.978 376 T CA 1.065 63.188 62.100 0.038 0.000 1.152 376 T CB 0.627 69.445 68.868 -0.082 0.000 0.914 376 T HN 0.620 nan 8.240 nan 0.000 0.539 377 G N 3.023 111.887 108.800 0.108 0.000 2.436 377 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.204 377 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.204 377 G C 0.194 175.124 174.900 0.051 0.000 1.026 377 G CA -0.739 44.400 45.100 0.064 0.000 0.658 377 G HN 0.667 nan 8.290 nan 0.000 0.499 378 L N 3.007 124.279 121.223 0.082 0.000 2.505 378 L HA 0.326 4.665 4.340 -0.002 0.000 0.279 378 L C 1.830 178.704 176.870 0.006 0.000 1.211 378 L CA 0.044 54.899 54.840 0.026 0.000 1.059 378 L CB 0.754 42.822 42.059 0.015 0.000 1.340 378 L HN 0.332 nan 8.230 nan 0.000 0.447 379 V N -2.293 117.606 119.914 -0.025 0.000 3.596 379 V HA 0.141 4.260 4.120 -0.002 0.000 0.289 379 V C 1.287 177.348 176.094 -0.055 0.000 1.336 379 V CA 0.474 62.760 62.300 -0.024 0.000 1.137 379 V CB 0.357 32.153 31.823 -0.045 0.000 0.966 379 V HN 0.668 nan 8.190 nan 0.000 0.428 380 S N -0.375 115.282 115.700 -0.072 0.000 2.604 380 S HA 0.414 4.883 4.470 -0.002 0.000 0.235 380 S C 0.610 175.151 174.600 -0.098 0.000 1.043 380 S CA -0.394 57.763 58.200 -0.072 0.000 0.997 380 S CB 0.236 63.408 63.200 -0.047 0.000 0.956 380 S HN 0.450 nan 8.310 nan 0.000 0.535 381 L N 4.065 125.226 121.223 -0.103 0.000 2.660 381 L HA -0.016 4.323 4.340 -0.002 0.000 0.272 381 L C 1.298 178.044 176.870 -0.207 0.000 1.194 381 L CA 0.682 55.432 54.840 -0.149 0.000 0.945 381 L CB 0.433 42.399 42.059 -0.154 0.000 1.212 381 L HN 0.332 nan 8.230 nan 0.000 0.490 382 K N 3.758 123.952 120.400 -0.343 0.000 2.450 382 K HA 0.101 4.420 4.320 -0.002 0.000 0.206 382 K C -0.548 175.756 176.600 -0.494 0.000 1.148 382 K CA -0.026 55.967 56.287 -0.489 0.000 1.014 382 K CB 0.613 32.691 32.500 -0.703 0.000 0.966 382 K HN 0.425 nan 8.250 nan 0.000 0.566 383 Y N 1.535 121.766 120.300 -0.116 0.000 2.327 383 Y HA 0.473 5.022 4.550 -0.002 0.000 0.325 383 Y C -1.088 174.625 175.900 -0.312 0.000 0.999 383 Y CA -1.401 56.577 58.100 -0.204 0.000 1.195 383 Y CB 1.998 40.332 38.460 -0.210 0.000 1.132 383 Y HN -0.106 nan 8.280 nan 0.000 0.455 384 L N 2.920 124.053 121.223 -0.150 0.000 2.385 384 L HA 0.728 5.067 4.340 -0.002 0.000 0.273 384 L C -0.804 175.958 176.870 -0.180 0.000 0.990 384 L CA -0.262 54.441 54.840 -0.228 0.000 0.821 384 L CB 2.190 44.080 42.059 -0.283 0.000 1.279 384 L HN 0.492 nan 8.230 nan 0.000 0.412 385 S N 5.049 120.644 115.700 -0.175 0.000 2.502 385 S HA 0.754 5.223 4.470 -0.002 0.000 0.304 385 S C -0.664 173.916 174.600 -0.033 0.000 1.097 385 S CA -0.502 57.640 58.200 -0.098 0.000 1.045 385 S CB 0.756 63.883 63.200 -0.121 0.000 1.019 385 S HN 0.655 nan 8.310 nan 0.000 0.481 386 L N 3.649 124.888 121.223 0.027 0.000 3.025 386 L HA 0.346 4.685 4.340 -0.002 0.000 0.307 386 L C 0.197 177.083 176.870 0.028 0.000 1.303 386 L CA -0.344 54.514 54.840 0.030 0.000 0.817 386 L CB 1.048 43.244 42.059 0.228 0.000 1.227 386 L HN 0.589 nan 8.230 nan 0.000 0.571 387 S N 1.673 117.380 115.700 0.012 0.000 2.448 387 S HA 0.196 4.665 4.470 -0.002 0.000 0.279 387 S C 0.722 175.324 174.600 0.003 0.000 1.195 387 S CA -0.010 58.210 58.200 0.033 0.000 1.051 387 S CB 0.229 63.445 63.200 0.026 0.000 0.948 387 S HN 0.516 nan 8.310 nan 0.000 0.493 388 K N 3.333 123.754 120.400 0.035 0.000 3.150 388 K HA -0.152 4.167 4.320 -0.002 0.000 0.267 388 K C -0.006 176.567 176.600 -0.045 0.000 1.028 388 K CA 1.182 57.490 56.287 0.034 0.000 0.753 388 K CB -1.727 30.794 32.500 0.035 0.000 1.288 388 K HN 0.758 nan 8.250 nan 0.000 0.473 389 T N -0.101 114.346 114.554 -0.177 0.000 2.971 389 T HA 0.211 4.560 4.350 -0.002 0.000 0.252 389 T C -0.021 174.345 174.700 -0.556 0.000 1.022 389 T CA 0.374 62.222 62.100 -0.421 0.000 0.980 389 T CB 0.047 68.486 68.868 -0.715 0.000 1.044 389 T HN 0.231 nan 8.240 nan 0.000 0.501 390 F N 1.263 121.283 119.950 0.116 0.000 2.538 390 F HA 0.487 5.013 4.527 -0.002 0.000 0.325 390 F C 1.419 177.258 175.800 0.065 0.000 1.066 390 F CA -1.216 56.831 58.000 0.078 0.000 0.946 390 F CB 1.550 40.594 39.000 0.074 0.000 1.199 390 F HN -0.122 nan 8.300 nan 0.000 0.473 391 T N -4.380 110.308 114.554 0.224 0.000 2.987 391 T HA 0.088 4.437 4.350 -0.002 0.000 0.248 391 T C 0.783 175.504 174.700 0.036 0.000 0.997 391 T CA 0.242 62.396 62.100 0.091 0.000 1.013 391 T CB 0.003 68.896 68.868 0.042 0.000 1.077 391 T HN 0.328 nan 8.240 nan 0.000 0.483 392 S N 0.893 116.609 115.700 0.027 0.000 2.651 392 S HA 0.440 4.909 4.470 -0.002 0.000 0.246 392 S C 0.361 174.932 174.600 -0.048 0.000 1.039 392 S CA -0.436 57.744 58.200 -0.033 0.000 1.013 392 S CB -0.028 63.121 63.200 -0.085 0.000 0.861 392 S HN 0.359 nan 8.310 nan 0.000 0.485 393 L N 1.841 123.059 121.223 -0.009 0.000 3.001 393 L HA 0.264 4.603 4.340 -0.002 0.000 0.234 393 L C 1.507 178.369 176.870 -0.012 0.000 1.321 393 L CA -0.086 54.709 54.840 -0.076 0.000 1.138 393 L CB 0.020 41.995 42.059 -0.140 0.000 1.503 393 L HN 0.110 nan 8.230 nan 0.000 0.487 394 Q N -0.176 119.620 119.800 -0.006 0.000 2.133 394 Q HA -0.107 4.232 4.340 -0.002 0.000 0.208 394 Q C 0.257 176.257 176.000 0.000 0.000 0.991 394 Q CA 1.362 57.175 55.803 0.016 0.000 0.867 394 Q CB -0.044 28.690 28.738 -0.006 0.000 0.911 394 Q HN 0.379 nan 8.270 nan 0.000 0.417 395 T N -0.133 114.394 114.554 -0.045 0.000 2.848 395 T HA 0.510 4.859 4.350 -0.002 0.000 0.285 395 T C -0.724 173.913 174.700 -0.105 0.000 0.995 395 T CA -0.613 61.449 62.100 -0.063 0.000 0.970 395 T CB 0.992 69.816 68.868 -0.074 0.000 0.976 395 T HN 0.019 nan 8.240 nan 0.000 0.441 396 L N 4.488 125.651 121.223 -0.100 0.000 2.283 396 L HA 0.372 4.711 4.340 -0.002 0.000 0.287 396 L C 1.164 177.925 176.870 -0.181 0.000 1.073 396 L CA -0.495 54.254 54.840 -0.151 0.000 0.822 396 L CB 0.505 42.509 42.059 -0.092 0.000 1.186 396 L HN 0.766 nan 8.230 nan 0.000 0.436 397 T N -1.498 112.936 114.554 -0.200 0.000 2.936 397 T HA 0.174 4.523 4.350 -0.002 0.000 0.282 397 T C 1.132 175.761 174.700 -0.119 0.000 1.003 397 T CA -0.914 61.094 62.100 -0.153 0.000 1.005 397 T CB 1.141 69.928 68.868 -0.134 0.000 1.097 397 T HN 0.599 nan 8.240 nan 0.000 0.532 398 N N 0.172 118.835 118.700 -0.060 0.000 2.573 398 N HA -0.113 4.626 4.740 -0.002 0.000 0.187 398 N C 0.726 176.388 175.510 0.253 0.000 1.107 398 N CA 0.605 53.676 53.050 0.034 0.000 0.918 398 N CB -0.227 38.251 38.487 -0.015 0.000 0.966 398 N HN 0.813 nan 8.380 nan 0.000 0.448 399 E N -0.546 119.710 120.200 0.092 0.000 2.501 399 E HA 0.108 4.457 4.350 -0.002 0.000 0.201 399 E C 0.462 176.998 176.600 -0.107 0.000 1.016 399 E CA -0.079 56.352 56.400 0.052 0.000 0.920 399 E CB 0.370 30.053 29.700 -0.028 0.000 1.023 399 E HN 0.339 nan 8.360 nan 0.000 0.474 400 T N 0.663 115.106 114.554 -0.186 0.000 2.668 400 T HA -0.062 4.287 4.350 -0.002 0.000 0.258 400 T C 0.917 175.347 174.700 -0.451 0.000 1.051 400 T CA 0.943 62.753 62.100 -0.483 0.000 1.155 400 T CB -0.168 68.169 68.868 -0.884 0.000 0.864 400 T HN 0.105 nan 8.240 nan 0.000 0.413 401 F N 1.523 121.550 119.950 0.127 0.000 2.696 401 F HA 0.317 4.843 4.527 -0.002 0.000 0.296 401 F C 1.689 177.484 175.800 -0.008 0.000 1.181 401 F CA -0.921 57.189 58.000 0.183 0.000 1.411 401 F CB -1.047 38.152 39.000 0.331 0.000 1.014 401 F HN -0.050 nan 8.300 nan 0.000 0.512 402 V N -0.380 119.366 119.914 -0.279 0.000 2.343 402 V HA -0.268 3.851 4.120 -0.002 0.000 0.247 402 V C 2.159 177.934 176.094 -0.533 0.000 1.051 402 V CA 2.562 64.255 62.300 -1.012 0.000 1.036 402 V CB -0.353 30.911 31.823 -0.931 0.000 0.654 402 V HN 0.420 nan 8.190 nan 0.000 0.451 403 S N 0.777 116.339 115.700 -0.230 0.000 2.387 403 S HA -0.161 4.307 4.470 -0.002 0.000 0.230 403 S C 1.492 176.118 174.600 0.045 0.000 1.035 403 S CA 2.002 60.151 58.200 -0.085 0.000 1.014 403 S CB -0.565 62.627 63.200 -0.013 0.000 0.836 403 S HN 0.626 nan 8.310 nan 0.000 0.466 404 L N 1.182 122.492 121.223 0.144 0.000 2.682 404 L HA 0.198 4.537 4.340 -0.002 0.000 0.240 404 L C 2.112 179.009 176.870 0.044 0.000 1.178 404 L CA -0.050 54.867 54.840 0.128 0.000 0.970 404 L CB -0.684 41.475 42.059 0.168 0.000 1.179 404 L HN 0.251 nan 8.230 nan 0.000 0.435 405 A N -0.089 122.669 122.820 -0.103 0.000 1.858 405 A HA -0.191 4.128 4.320 -0.002 0.000 0.216 405 A C 1.861 179.298 177.584 -0.244 0.000 1.190 405 A CA 1.346 53.261 52.037 -0.203 0.000 0.617 405 A CB -0.461 18.213 19.000 -0.543 0.000 0.827 405 A HN 0.486 nan 8.150 nan 0.000 0.443 406 H N 0.017 119.116 119.070 0.049 0.000 2.524 406 H HA 0.253 4.808 4.556 -0.002 0.000 0.280 406 H C -0.335 175.001 175.328 0.015 0.000 1.018 406 H CA 0.344 56.413 56.048 0.034 0.000 1.165 406 H CB -0.128 29.644 29.762 0.016 0.000 1.411 406 H HN 0.326 nan 8.280 nan 0.000 0.569 407 S N 3.778 119.520 115.700 0.071 0.000 2.442 407 S HA 0.177 4.645 4.470 -0.002 0.000 0.297 407 S C -2.274 172.322 174.600 -0.006 0.000 1.131 407 S CA -1.351 56.861 58.200 0.021 0.000 1.092 407 S CB 1.924 65.121 63.200 -0.005 0.000 0.998 407 S HN 0.147 nan 8.310 nan 0.000 0.478 408 P HA 0.079 nan 4.420 nan 0.000 0.238 408 P C -0.623 176.624 177.300 -0.090 0.000 1.729 408 P CA 0.014 63.087 63.100 -0.046 0.000 1.055 408 P CB -0.147 31.521 31.700 -0.054 0.000 1.980 409 L N 2.683 123.862 121.223 -0.072 0.000 2.319 409 L HA 0.079 4.417 4.340 -0.002 0.000 0.280 409 L C 1.136 177.960 176.870 -0.077 0.000 1.099 409 L CA -0.360 54.422 54.840 -0.097 0.000 0.828 409 L CB 1.032 43.036 42.059 -0.092 0.000 1.150 409 L HN 0.129 nan 8.230 nan 0.000 0.442 410 L N 2.122 123.302 121.223 -0.072 0.000 2.653 410 L HA 0.188 4.527 4.340 -0.002 0.000 0.230 410 L C 0.715 177.584 176.870 -0.002 0.000 1.055 410 L CA 0.600 55.426 54.840 -0.023 0.000 0.880 410 L CB -0.023 42.045 42.059 0.015 0.000 1.195 410 L HN 0.500 nan 8.230 nan 0.000 0.492 411 T N 0.335 114.907 114.554 0.031 0.000 2.829 411 T HA 0.698 5.047 4.350 -0.002 0.000 0.280 411 T C -0.895 173.765 174.700 -0.068 0.000 0.999 411 T CA -0.279 61.822 62.100 0.001 0.000 0.983 411 T CB 2.490 71.389 68.868 0.052 0.000 0.968 411 T HN -0.122 nan 8.240 nan 0.000 0.446 412 L N 3.231 124.401 121.223 -0.090 0.000 2.568 412 L HA 0.434 4.773 4.340 -0.002 0.000 0.262 412 L C -1.087 175.753 176.870 -0.049 0.000 0.980 412 L CA -0.481 54.296 54.840 -0.105 0.000 0.882 412 L CB 1.409 43.357 42.059 -0.185 0.000 1.198 412 L HN 0.676 nan 8.230 nan 0.000 0.425 413 N N 5.243 123.930 118.700 -0.022 0.000 2.419 413 N HA 0.358 5.097 4.740 -0.002 0.000 0.264 413 N C -0.240 175.326 175.510 0.094 0.000 1.031 413 N CA -0.171 52.895 53.050 0.027 0.000 0.951 413 N CB 1.238 39.723 38.487 -0.003 0.000 1.101 413 N HN 0.772 nan 8.380 nan 0.000 0.488 414 L N 2.251 123.566 121.223 0.153 0.000 3.122 414 L HA 0.118 4.457 4.340 -0.002 0.000 0.274 414 L C 0.698 177.697 176.870 0.215 0.000 1.222 414 L CA -0.253 54.728 54.840 0.236 0.000 1.028 414 L CB 0.203 42.454 42.059 0.320 0.000 1.386 414 L HN 0.518 nan 8.230 nan 0.000 0.578 415 T N -1.593 113.063 114.554 0.171 0.000 2.932 415 T HA 0.113 4.462 4.350 -0.002 0.000 0.312 415 T C 0.522 175.292 174.700 0.117 0.000 1.071 415 T CA -0.227 61.967 62.100 0.156 0.000 1.128 415 T CB 0.578 69.536 68.868 0.151 0.000 0.984 415 T HN 0.306 nan 8.240 nan 0.000 0.549 416 K N 1.630 122.077 120.400 0.079 0.000 3.372 416 K HA -0.149 4.170 4.320 -0.002 0.000 0.272 416 K C -0.007 176.649 176.600 0.092 0.000 1.037 416 K CA 0.492 56.795 56.287 0.027 0.000 0.777 416 K CB -1.540 30.980 32.500 0.034 0.000 1.347 416 K HN 0.656 nan 8.250 nan 0.000 0.460 417 N N -0.303 118.476 118.700 0.132 0.000 2.143 417 N HA 0.053 4.792 4.740 -0.002 0.000 0.222 417 N C -0.409 175.312 175.510 0.352 0.000 1.264 417 N CA 0.114 53.333 53.050 0.281 0.000 0.897 417 N CB 0.417 39.108 38.487 0.340 0.000 1.092 417 N HN 0.471 nan 8.380 nan 0.000 0.516 418 H N -0.377 118.769 119.070 0.126 0.000 3.109 418 H HA -0.100 4.455 4.556 -0.002 0.000 0.245 418 H C -0.171 175.212 175.328 0.092 0.000 1.187 418 H CA 0.449 56.555 56.048 0.098 0.000 1.136 418 H CB -2.054 27.756 29.762 0.079 0.000 1.243 418 H HN 0.218 nan 8.280 nan 0.000 0.328 419 I N 1.295 121.973 120.570 0.181 0.000 2.828 419 I HA -0.101 4.068 4.170 -0.002 0.000 0.292 419 I C 1.374 177.558 176.117 0.112 0.000 1.206 419 I CA 1.419 62.805 61.300 0.144 0.000 1.420 419 I CB 0.541 38.642 38.000 0.168 0.000 1.368 419 I HN 0.421 nan 8.210 nan 0.000 0.556 420 S N 4.527 120.275 115.700 0.079 0.000 2.559 420 S HA 0.215 4.684 4.470 -0.002 0.000 0.226 420 S C 0.309 174.925 174.600 0.027 0.000 1.030 420 S CA -0.389 57.846 58.200 0.059 0.000 0.956 420 S CB 0.505 63.736 63.200 0.052 0.000 0.900 420 S HN 0.681 nan 8.310 nan 0.000 0.510 421 K N 0.910 121.315 120.400 0.008 0.000 2.550 421 K HA 0.498 4.817 4.320 -0.002 0.000 0.252 421 K C -2.219 174.349 176.600 -0.054 0.000 0.943 421 K CA -0.487 55.783 56.287 -0.029 0.000 0.806 421 K CB 1.726 34.198 32.500 -0.047 0.000 1.289 421 K HN 0.247 nan 8.250 nan 0.000 0.435 422 I N 3.542 124.058 120.570 -0.090 0.000 2.420 422 I HA 0.312 4.481 4.170 -0.002 0.000 0.282 422 I C 0.401 176.396 176.117 -0.203 0.000 1.019 422 I CA -0.653 60.556 61.300 -0.152 0.000 1.130 422 I CB 1.694 39.591 38.000 -0.172 0.000 1.262 422 I HN 0.665 nan 8.210 nan 0.000 0.454 423 A N 5.169 127.875 122.820 -0.189 0.000 2.310 423 A HA 0.376 4.695 4.320 -0.002 0.000 0.260 423 A C 0.180 177.635 177.584 -0.215 0.000 1.112 423 A CA -0.365 51.564 52.037 -0.180 0.000 0.804 423 A CB 0.138 19.053 19.000 -0.142 0.000 1.081 423 A HN 0.709 nan 8.150 nan 0.000 0.499 424 N N -0.108 118.482 118.700 -0.184 0.000 2.407 424 N HA 0.339 5.078 4.740 -0.002 0.000 0.250 424 N C 1.182 176.582 175.510 -0.183 0.000 1.236 424 N CA 1.644 54.585 53.050 -0.181 0.000 0.879 424 N CB 0.155 38.557 38.487 -0.141 0.000 1.088 424 N HN 1.271 nan 8.380 nan 0.000 0.450 425 G N 0.571 109.262 108.800 -0.183 0.000 2.233 425 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.270 425 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.270 425 G C 1.049 175.809 174.900 -0.234 0.000 1.011 425 G CA 1.068 46.044 45.100 -0.205 0.000 0.762 425 G HN 0.601 nan 8.290 nan 0.000 0.511 426 T N -0.453 113.944 114.554 -0.261 0.000 2.849 426 T HA -0.014 4.334 4.350 -0.002 0.000 0.270 426 T C 1.454 176.001 174.700 -0.254 0.000 1.066 426 T CA 1.630 63.533 62.100 -0.329 0.000 1.130 426 T CB -0.214 68.301 68.868 -0.590 0.000 0.864 426 T HN 0.412 nan 8.240 nan 0.000 0.481 427 F N 0.466 120.461 119.950 0.076 0.000 2.688 427 F HA 0.266 4.792 4.527 -0.002 0.000 0.310 427 F C 2.157 177.939 175.800 -0.029 0.000 1.098 427 F CA -0.637 57.425 58.000 0.104 0.000 1.228 427 F CB -0.433 38.640 39.000 0.121 0.000 1.042 427 F HN 0.068 nan 8.300 nan 0.000 0.557 428 S N -0.560 115.069 115.700 -0.119 0.000 2.407 428 S HA -0.290 4.179 4.470 -0.002 0.000 0.235 428 S C 1.578 176.051 174.600 -0.211 0.000 1.036 428 S CA 1.703 59.733 58.200 -0.284 0.000 1.013 428 S CB -1.032 61.813 63.200 -0.593 0.000 0.820 428 S HN 0.595 nan 8.310 nan 0.000 0.476 429 W N 0.421 121.791 121.300 0.116 0.000 2.584 429 W HA 0.427 5.086 4.660 -0.002 0.000 0.264 429 W C 0.495 177.051 176.519 0.062 0.000 1.264 429 W CA -0.771 56.614 57.345 0.067 0.000 1.306 429 W CB -0.426 29.070 29.460 0.060 0.000 1.110 429 W HN 0.171 nan 8.180 nan 0.000 0.606 430 L N 2.222 123.620 121.223 0.292 0.000 2.672 430 L HA 0.282 4.621 4.340 -0.002 0.000 0.238 430 L C 1.884 178.811 176.870 0.095 0.000 1.392 430 L CA -0.031 54.906 54.840 0.161 0.000 1.238 430 L CB -0.838 41.286 42.059 0.107 0.000 1.548 430 L HN 0.119 nan 8.230 nan 0.000 0.423 431 G N 0.168 109.026 108.800 0.098 0.000 2.529 431 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.219 431 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.219 431 G C 1.180 176.106 174.900 0.042 0.000 1.177 431 G CA 0.395 45.535 45.100 0.067 0.000 0.773 431 G HN 0.559 nan 8.290 nan 0.000 0.573 432 Q N -0.390 119.428 119.800 0.030 0.000 2.322 432 Q HA 0.281 4.620 4.340 -0.002 0.000 0.203 432 Q C 0.161 176.156 176.000 -0.008 0.000 0.923 432 Q CA -0.682 55.127 55.803 0.010 0.000 0.949 432 Q CB 0.171 28.910 28.738 0.002 0.000 1.039 432 Q HN 0.340 nan 8.270 nan 0.000 0.496 433 L N 1.058 122.272 121.223 -0.015 0.000 2.499 433 L HA -0.057 4.282 4.340 -0.002 0.000 0.273 433 L C 0.797 177.649 176.870 -0.030 0.000 1.195 433 L CA 0.997 55.809 54.840 -0.046 0.000 0.882 433 L CB 0.442 42.444 42.059 -0.094 0.000 1.133 433 L HN 0.071 nan 8.230 nan 0.000 0.483 434 R N 3.831 124.316 120.500 -0.024 0.000 2.215 434 R HA 0.313 4.652 4.340 -0.002 0.000 0.190 434 R C -0.446 175.880 176.300 0.042 0.000 0.968 434 R CA -0.119 55.993 56.100 0.021 0.000 1.122 434 R CB 0.294 30.587 30.300 -0.012 0.000 1.151 434 R HN 0.389 nan 8.270 nan 0.000 0.582 435 I N 2.238 122.809 120.570 0.001 0.000 2.354 435 I HA 0.290 4.459 4.170 -0.002 0.000 0.286 435 I C -0.789 175.295 176.117 -0.056 0.000 1.007 435 I CA -0.287 61.014 61.300 0.002 0.000 1.167 435 I CB 1.786 39.789 38.000 0.005 0.000 1.320 435 I HN 0.011 nan 8.210 nan 0.000 0.458 436 L N 6.060 127.234 121.223 -0.082 0.000 2.346 436 L HA 0.705 5.044 4.340 -0.002 0.000 0.274 436 L C -1.432 175.424 176.870 -0.024 0.000 1.007 436 L CA -0.357 54.406 54.840 -0.127 0.000 0.818 436 L CB 1.727 43.616 42.059 -0.283 0.000 1.284 436 L HN 0.458 nan 8.230 nan 0.000 0.424 437 D N 4.980 125.399 120.400 0.032 0.000 2.473 437 D HA 0.289 4.928 4.640 -0.002 0.000 0.253 437 D C -0.678 175.748 176.300 0.211 0.000 1.233 437 D CA -0.154 53.943 54.000 0.162 0.000 0.908 437 D CB 1.453 42.339 40.800 0.142 0.000 1.170 437 D HN 0.565 nan 8.370 nan 0.000 0.558 438 L N 3.136 124.504 121.223 0.242 0.000 3.108 438 L HA 0.456 4.795 4.340 -0.002 0.000 0.251 438 L C 1.203 178.200 176.870 0.211 0.000 1.315 438 L CA -0.607 54.386 54.840 0.254 0.000 1.048 438 L CB 1.025 43.272 42.059 0.314 0.000 1.432 438 L HN 0.302 nan 8.230 nan 0.000 0.543 439 G N -0.707 108.245 108.800 0.253 0.000 2.547 439 G HA2 0.455 4.414 3.960 -0.002 0.000 0.291 439 G HA3 0.455 4.414 3.960 -0.002 0.000 0.291 439 G C 0.495 175.516 174.900 0.202 0.000 1.211 439 G CA -0.653 44.560 45.100 0.188 0.000 0.950 439 G HN 0.311 nan 8.290 nan 0.000 0.504 440 L N 0.009 121.352 121.223 0.200 0.000 3.762 440 L HA -0.199 4.140 4.340 -0.002 0.000 0.460 440 L C 0.143 177.051 176.870 0.063 0.000 1.255 440 L CA 0.129 55.043 54.840 0.124 0.000 0.783 440 L CB -1.550 40.551 42.059 0.069 0.000 1.600 440 L HN 0.513 nan 8.230 nan 0.000 0.862 441 N N -0.598 118.151 118.700 0.082 0.000 2.761 441 N HA 0.294 5.033 4.740 -0.002 0.000 0.283 441 N C 0.320 175.865 175.510 0.059 0.000 1.377 441 N CA -0.668 52.413 53.050 0.052 0.000 0.791 441 N CB 1.500 40.053 38.487 0.111 0.000 1.540 441 N HN 0.061 nan 8.380 nan 0.000 0.539 442 E N 0.344 120.581 120.200 0.062 0.000 2.437 442 E HA 0.313 4.662 4.350 -0.002 0.000 0.189 442 E C -0.197 176.455 176.600 0.088 0.000 1.054 442 E CA -0.206 56.241 56.400 0.078 0.000 0.874 442 E CB -0.350 29.407 29.700 0.095 0.000 1.011 442 E HN 0.430 nan 8.360 nan 0.000 0.474 443 I N 2.150 122.778 120.570 0.097 0.000 3.045 443 I HA -0.168 4.001 4.170 -0.002 0.000 0.306 443 I C 0.566 176.741 176.117 0.097 0.000 1.232 443 I CA 1.178 62.535 61.300 0.096 0.000 1.415 443 I CB 0.141 38.213 38.000 0.120 0.000 1.364 443 I HN 0.127 nan 8.210 nan 0.000 0.538 444 E N 8.567 128.806 120.200 0.065 0.000 2.923 444 E HA 0.314 4.662 4.350 -0.002 0.000 0.266 444 E C -0.857 175.731 176.600 -0.019 0.000 1.157 444 E CA -0.524 55.908 56.400 0.052 0.000 0.795 444 E CB 0.751 30.459 29.700 0.013 0.000 1.454 444 E HN 0.716 nan 8.360 nan 0.000 0.386 445 Q N 2.185 121.997 119.800 0.019 0.000 2.737 445 Q HA 0.394 4.732 4.340 -0.002 0.000 0.307 445 Q C -1.647 174.369 176.000 0.027 0.000 0.905 445 Q CA -1.176 54.609 55.803 -0.030 0.000 0.753 445 Q CB 1.155 29.863 28.738 -0.051 0.000 1.463 445 Q HN 0.160 nan 8.270 nan 0.000 0.455 446 K N 1.824 122.214 120.400 -0.016 0.000 2.464 446 K HA 0.441 4.760 4.320 -0.002 0.000 0.252 446 K C -0.696 175.865 176.600 -0.065 0.000 1.000 446 K CA -0.644 55.646 56.287 0.005 0.000 0.951 446 K CB 0.933 33.438 32.500 0.008 0.000 1.183 446 K HN 0.450 nan 8.250 nan 0.000 0.445 447 L N 2.613 123.790 121.223 -0.077 0.000 2.628 447 L HA -0.074 4.265 4.340 -0.002 0.000 0.274 447 L C 0.418 177.175 176.870 -0.188 0.000 1.209 447 L CA 0.331 55.065 54.840 -0.177 0.000 0.930 447 L CB -0.027 41.936 42.059 -0.160 0.000 1.183 447 L HN 0.778 nan 8.230 nan 0.000 0.492 448 S N 0.563 116.138 115.700 -0.209 0.000 2.592 448 S HA 0.401 4.870 4.470 -0.002 0.000 0.243 448 S C 1.223 175.729 174.600 -0.155 0.000 1.160 448 S CA -0.177 57.928 58.200 -0.157 0.000 1.145 448 S CB 0.970 64.096 63.200 -0.124 0.000 0.909 448 S HN 1.044 nan 8.310 nan 0.000 0.487 449 G N 2.178 110.871 108.800 -0.178 0.000 2.494 449 G HA2 -0.402 3.557 3.960 -0.002 0.000 0.252 449 G HA3 -0.402 3.557 3.960 -0.002 0.000 0.252 449 G C 1.183 176.030 174.900 -0.088 0.000 1.025 449 G CA 0.927 45.983 45.100 -0.072 0.000 0.638 449 G HN 0.527 nan 8.290 nan 0.000 0.544 450 Q N 0.476 120.175 119.800 -0.169 0.000 2.245 450 Q HA -0.002 4.337 4.340 -0.002 0.000 0.201 450 Q C 2.445 178.296 176.000 -0.249 0.000 0.955 450 Q CA 1.477 57.185 55.803 -0.158 0.000 0.870 450 Q CB -0.235 28.417 28.738 -0.143 0.000 0.945 450 Q HN 0.850 nan 8.270 nan 0.000 0.461 451 E N -0.351 119.559 120.200 -0.484 0.000 2.331 451 E HA -0.193 4.156 4.350 -0.002 0.000 0.199 451 E C 0.741 177.037 176.600 -0.507 0.000 1.008 451 E CA 0.798 56.805 56.400 -0.656 0.000 0.843 451 E CB -0.526 28.553 29.700 -1.034 0.000 0.761 451 E HN 0.553 nan 8.360 nan 0.000 0.507 452 W N 1.542 122.898 121.300 0.093 0.000 3.102 452 W HA 0.267 4.926 4.660 -0.002 0.000 0.401 452 W C 0.717 177.289 176.519 0.087 0.000 1.070 452 W CA -1.189 56.240 57.345 0.140 0.000 1.921 452 W CB 0.266 29.793 29.460 0.111 0.000 1.118 452 W HN -0.199 nan 8.180 nan 0.000 0.647 453 R N 1.526 122.120 120.500 0.156 0.000 2.399 453 R HA 0.340 4.679 4.340 -0.002 0.000 0.324 453 R C 1.158 177.501 176.300 0.072 0.000 1.030 453 R CA 1.555 57.701 56.100 0.077 0.000 0.984 453 R CB -0.144 30.144 30.300 -0.019 0.000 0.961 453 R HN 0.299 nan 8.270 nan 0.000 0.433 454 G N 3.626 112.473 108.800 0.078 0.000 2.211 454 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.201 454 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.201 454 G C 0.110 175.064 174.900 0.089 0.000 0.997 454 G CA -0.173 44.958 45.100 0.053 0.000 0.652 454 G HN 0.543 nan 8.290 nan 0.000 0.500 455 L N 2.165 123.467 121.223 0.132 0.000 2.437 455 L HA 0.317 4.656 4.340 -0.002 0.000 0.243 455 L C 2.131 179.041 176.870 0.066 0.000 1.346 455 L CA -0.336 54.560 54.840 0.094 0.000 1.233 455 L CB 0.095 42.214 42.059 0.101 0.000 1.436 455 L HN 0.296 nan 8.230 nan 0.000 0.416 456 R N 2.122 122.656 120.500 0.055 0.000 2.136 456 R HA -0.195 4.144 4.340 -0.002 0.000 0.242 456 R C 0.715 177.039 176.300 0.040 0.000 1.131 456 R CA 2.076 58.204 56.100 0.046 0.000 0.937 456 R CB 0.064 30.388 30.300 0.040 0.000 0.863 456 R HN 0.688 nan 8.270 nan 0.000 0.435 457 N N 0.700 119.422 118.700 0.037 0.000 2.851 457 N HA 0.098 4.837 4.740 -0.002 0.000 0.248 457 N C -1.248 174.291 175.510 0.048 0.000 1.221 457 N CA -0.374 52.702 53.050 0.043 0.000 0.847 457 N CB 0.924 39.436 38.487 0.042 0.000 1.150 457 N HN 0.132 nan 8.380 nan 0.000 0.507 458 I N 1.371 121.963 120.570 0.037 0.000 2.354 458 I HA 0.386 4.554 4.170 -0.002 0.000 0.292 458 I C 0.167 176.324 176.117 0.066 0.000 0.989 458 I CA -0.793 60.521 61.300 0.023 0.000 1.188 458 I CB 0.987 38.959 38.000 -0.046 0.000 1.342 458 I HN 0.271 nan 8.210 nan 0.000 0.457 459 F N 6.068 125.967 119.950 -0.085 0.000 2.085 459 F HA 0.212 4.738 4.527 -0.002 0.000 0.284 459 F C 0.702 176.441 175.800 -0.102 0.000 1.127 459 F CA 0.995 58.946 58.000 -0.081 0.000 1.164 459 F CB 0.034 38.996 39.000 -0.064 0.000 1.035 459 F HN 0.591 nan 8.300 nan 0.000 0.481 460 E N -0.066 120.173 120.200 0.065 0.000 2.312 460 E HA 0.519 4.868 4.350 -0.002 0.000 0.267 460 E C -1.332 175.224 176.600 -0.073 0.000 0.894 460 E CA -0.653 55.705 56.400 -0.070 0.000 0.773 460 E CB 2.286 31.988 29.700 0.004 0.000 1.241 460 E HN 0.206 nan 8.360 nan 0.000 0.432 461 I N 2.965 123.461 120.570 -0.122 0.000 2.537 461 I HA 0.150 4.318 4.170 -0.002 0.000 0.276 461 I C -1.304 174.804 176.117 -0.017 0.000 1.063 461 I CA -0.902 60.318 61.300 -0.133 0.000 1.144 461 I CB 0.757 38.555 38.000 -0.337 0.000 1.252 461 I HN 0.591 nan 8.210 nan 0.000 0.480 462 Y N 6.889 127.153 120.300 -0.059 0.000 2.531 462 Y HA 0.270 4.819 4.550 -0.002 0.000 0.347 462 Y C 0.098 176.020 175.900 0.036 0.000 1.024 462 Y CA 0.098 58.191 58.100 -0.012 0.000 1.306 462 Y CB 0.772 39.238 38.460 0.010 0.000 1.149 462 Y HN 0.539 nan 8.280 nan 0.000 0.527 463 L N 4.787 125.865 121.223 -0.241 0.000 3.289 463 L HA 0.394 4.733 4.340 -0.002 0.000 0.291 463 L C -0.110 176.613 176.870 -0.245 0.000 1.279 463 L CA 0.217 54.982 54.840 -0.125 0.000 1.025 463 L CB 0.046 42.141 42.059 0.060 0.000 1.413 463 L HN 0.456 nan 8.230 nan 0.000 0.593 464 S N -0.201 115.152 115.700 -0.577 0.000 2.580 464 S HA 0.405 4.874 4.470 -0.002 0.000 0.274 464 S C -0.851 173.633 174.600 -0.193 0.000 1.329 464 S CA 0.007 57.911 58.200 -0.493 0.000 1.036 464 S CB 0.288 63.091 63.200 -0.661 0.000 0.919 464 S HN 0.280 nan 8.310 nan 0.000 0.515 465 Y N 0.076 120.310 120.300 -0.111 0.000 3.101 465 Y HA -0.202 4.347 4.550 -0.002 0.000 0.165 465 Y C -0.110 175.782 175.900 -0.013 0.000 1.901 465 Y CA -0.151 57.923 58.100 -0.044 0.000 1.173 465 Y CB -2.279 36.167 38.460 -0.023 0.000 1.568 465 Y HN 0.649 nan 8.280 nan 0.000 0.405 466 N N -0.576 118.173 118.700 0.083 0.000 3.038 466 N HA 0.503 5.241 4.740 -0.002 0.000 0.307 466 N C 0.749 176.313 175.510 0.090 0.000 1.441 466 N CA -1.028 52.078 53.050 0.093 0.000 0.772 466 N CB 0.763 39.305 38.487 0.091 0.000 1.651 466 N HN -0.030 nan 8.380 nan 0.000 0.593 467 K N -0.370 120.095 120.400 0.108 0.000 2.044 467 K HA 0.076 4.395 4.320 -0.002 0.000 0.204 467 K C -0.517 176.202 176.600 0.200 0.000 1.049 467 K CA 1.360 57.725 56.287 0.130 0.000 0.945 467 K CB 0.087 32.660 32.500 0.122 0.000 0.724 467 K HN 0.538 nan 8.250 nan 0.000 0.440 468 Y N -0.649 119.664 120.300 0.022 0.000 2.474 468 Y HA 0.280 4.829 4.550 -0.002 0.000 0.326 468 Y C -1.735 174.176 175.900 0.019 0.000 1.160 468 Y CA -0.944 57.164 58.100 0.015 0.000 1.056 468 Y CB 1.041 39.507 38.460 0.010 0.000 1.330 468 Y HN -0.144 nan 8.280 nan 0.000 0.447 469 L N 6.539 127.865 121.223 0.171 0.000 2.480 469 L HA 0.344 4.683 4.340 -0.002 0.000 0.253 469 L C -0.471 176.462 176.870 0.105 0.000 1.324 469 L CA -0.382 54.562 54.840 0.174 0.000 0.916 469 L CB 1.459 43.584 42.059 0.110 0.000 1.160 469 L HN 0.636 nan 8.230 nan 0.000 0.503 470 Q N 2.184 122.155 119.800 0.286 0.000 2.289 470 Q HA 0.362 4.701 4.340 -0.002 0.000 0.273 470 Q C -0.929 175.118 176.000 0.079 0.000 1.029 470 Q CA 0.151 56.071 55.803 0.196 0.000 0.896 470 Q CB 0.982 29.960 28.738 0.400 0.000 1.182 470 Q HN 0.521 nan 8.270 nan 0.000 0.385 471 L N 2.267 123.502 121.223 0.020 0.000 2.352 471 L HA 0.538 4.877 4.340 -0.002 0.000 0.269 471 L C 0.089 176.931 176.870 -0.045 0.000 1.034 471 L CA -0.499 54.325 54.840 -0.025 0.000 0.806 471 L CB 1.861 43.899 42.059 -0.035 0.000 1.244 471 L HN 0.773 nan 8.230 nan 0.000 0.447 472 S N -1.649 114.003 115.700 -0.079 0.000 2.745 472 S HA 0.189 4.658 4.470 -0.002 0.000 0.306 472 S C 0.457 175.010 174.600 -0.079 0.000 1.137 472 S CA -0.096 58.063 58.200 -0.067 0.000 0.900 472 S CB 1.562 64.723 63.200 -0.064 0.000 1.176 472 S HN 0.629 nan 8.310 nan 0.000 0.520 473 T N -0.125 114.395 114.554 -0.056 0.000 3.098 473 T HA 0.022 4.371 4.350 -0.002 0.000 0.266 473 T C 1.210 175.890 174.700 -0.033 0.000 1.145 473 T CA 1.637 63.710 62.100 -0.046 0.000 1.092 473 T CB -0.665 68.187 68.868 -0.028 0.000 0.908 473 T HN 0.662 nan 8.240 nan 0.000 0.526 474 S N -1.044 114.629 115.700 -0.046 0.000 2.666 474 S HA 0.231 4.700 4.470 -0.002 0.000 0.239 474 S C 1.894 176.460 174.600 -0.058 0.000 1.031 474 S CA 0.519 58.702 58.200 -0.028 0.000 1.015 474 S CB -0.138 63.046 63.200 -0.027 0.000 0.981 474 S HN 0.456 nan 8.310 nan 0.000 0.547 475 S N 1.109 116.718 115.700 -0.152 0.000 2.399 475 S HA -0.148 4.320 4.470 -0.002 0.000 0.235 475 S C 0.694 175.023 174.600 -0.452 0.000 1.063 475 S CA 1.996 59.971 58.200 -0.374 0.000 1.070 475 S CB -0.390 62.456 63.200 -0.590 0.000 0.904 475 S HN 0.723 nan 8.310 nan 0.000 0.456 476 F N -0.142 119.903 119.950 0.159 0.000 2.706 476 F HA 0.518 5.044 4.527 -0.002 0.000 0.313 476 F C 1.852 177.723 175.800 0.118 0.000 1.096 476 F CA -0.311 57.792 58.000 0.172 0.000 1.219 476 F CB -0.450 38.617 39.000 0.111 0.000 1.051 476 F HN 0.094 nan 8.300 nan 0.000 0.568 477 A N 0.364 123.306 122.820 0.202 0.000 2.032 477 A HA -0.197 4.122 4.320 -0.002 0.000 0.221 477 A C 2.163 179.825 177.584 0.129 0.000 1.165 477 A CA 1.554 53.673 52.037 0.137 0.000 0.645 477 A CB -0.777 18.271 19.000 0.079 0.000 0.807 477 A HN 0.476 nan 8.150 nan 0.000 0.453 478 L N -0.359 120.958 121.223 0.157 0.000 2.395 478 L HA 0.013 4.352 4.340 -0.002 0.000 0.218 478 L C 0.374 177.335 176.870 0.152 0.000 1.130 478 L CA 0.684 55.611 54.840 0.145 0.000 0.826 478 L CB 0.336 42.492 42.059 0.162 0.000 0.941 478 L HN 0.360 nan 8.230 nan 0.000 0.451 479 V N -3.205 116.812 119.914 0.172 0.000 2.315 479 V HA 0.378 4.497 4.120 -0.002 0.000 0.265 479 V C -2.213 173.919 176.094 0.063 0.000 1.019 479 V CA -1.207 61.156 62.300 0.105 0.000 0.824 479 V CB 0.531 32.393 31.823 0.064 0.000 1.072 479 V HN 0.001 nan 8.190 nan 0.000 0.448 480 P HA 0.191 nan 4.420 nan 0.000 0.256 480 P C 0.604 177.897 177.300 -0.012 0.000 1.384 480 P CA 0.071 63.184 63.100 0.023 0.000 0.879 480 P CB 0.537 32.257 31.700 0.034 0.000 1.403 481 S N -0.622 115.066 115.700 -0.020 0.000 2.556 481 S HA 0.157 4.626 4.470 -0.002 0.000 0.216 481 S C 0.922 175.464 174.600 -0.096 0.000 0.970 481 S CA -0.306 57.875 58.200 -0.031 0.000 0.912 481 S CB -0.167 63.036 63.200 0.005 0.000 0.790 481 S HN 0.194 nan 8.310 nan 0.000 0.504 482 L N 2.414 123.555 121.223 -0.137 0.000 2.455 482 L HA 0.096 4.435 4.340 -0.002 0.000 0.272 482 L C 1.392 178.076 176.870 -0.311 0.000 1.174 482 L CA 0.063 54.763 54.840 -0.232 0.000 0.869 482 L CB 0.606 42.517 42.059 -0.246 0.000 1.130 482 L HN 0.238 nan 8.230 nan 0.000 0.474 483 Q N 3.067 122.586 119.800 -0.468 0.000 2.499 483 Q HA 0.209 4.547 4.340 -0.002 0.000 0.213 483 Q C 0.079 175.834 176.000 -0.409 0.000 0.929 483 Q CA 0.667 56.145 55.803 -0.542 0.000 0.904 483 Q CB 0.627 28.730 28.738 -1.058 0.000 1.052 483 Q HN 0.578 nan 8.270 nan 0.000 0.589 484 R N 0.482 120.749 120.500 -0.388 0.000 2.562 484 R HA 0.571 4.910 4.340 -0.002 0.000 0.298 484 R C -1.136 175.023 176.300 -0.235 0.000 0.961 484 R CA -0.582 55.365 56.100 -0.255 0.000 0.881 484 R CB 1.805 32.005 30.300 -0.167 0.000 1.159 484 R HN -0.067 nan 8.270 nan 0.000 0.450 485 L N 3.974 125.052 121.223 -0.242 0.000 2.457 485 L HA 0.424 4.763 4.340 -0.002 0.000 0.266 485 L C -1.336 175.412 176.870 -0.204 0.000 0.979 485 L CA -0.481 54.201 54.840 -0.264 0.000 0.857 485 L CB 1.715 43.520 42.059 -0.422 0.000 1.213 485 L HN 0.561 nan 8.230 nan 0.000 0.418 486 M N 6.056 125.576 119.600 -0.134 0.000 2.264 486 M HA 0.474 4.953 4.480 -0.002 0.000 0.352 486 M C -0.622 175.569 176.300 -0.181 0.000 1.173 486 M CA -0.467 54.747 55.300 -0.143 0.000 1.075 486 M CB 1.581 34.123 32.600 -0.097 0.000 1.621 486 M HN 0.371 nan 8.290 nan 0.000 0.457 487 L N 2.285 123.395 121.223 -0.188 0.000 2.980 487 L HA 0.355 4.694 4.340 -0.002 0.000 0.314 487 L C 0.045 176.776 176.870 -0.232 0.000 1.303 487 L CA 0.051 54.793 54.840 -0.163 0.000 0.785 487 L CB -0.162 41.859 42.059 -0.063 0.000 1.190 487 L HN 0.801 nan 8.230 nan 0.000 0.567 488 R N 0.773 121.074 120.500 -0.332 0.000 2.539 488 R HA 0.230 4.569 4.340 -0.002 0.000 0.275 488 R C 0.700 176.674 176.300 -0.543 0.000 1.077 488 R CA -0.328 55.522 56.100 -0.417 0.000 1.097 488 R CB 0.586 30.603 30.300 -0.472 0.000 1.018 488 R HN 0.188 nan 8.270 nan 0.000 0.483 489 R N 2.243 122.493 120.500 -0.416 0.000 3.034 489 R HA -0.160 4.179 4.340 -0.002 0.000 0.237 489 R C 0.246 176.412 176.300 -0.222 0.000 0.861 489 R CA 0.903 56.822 56.100 -0.302 0.000 0.588 489 R CB -1.025 29.094 30.300 -0.301 0.000 1.035 489 R HN 0.522 nan 8.270 nan 0.000 0.488 490 V N -2.326 117.486 119.914 -0.170 0.000 3.253 490 V HA 0.457 4.576 4.120 -0.002 0.000 0.320 490 V C 0.810 176.849 176.094 -0.091 0.000 1.442 490 V CA 0.468 62.711 62.300 -0.094 0.000 1.097 490 V CB 0.577 32.356 31.823 -0.074 0.000 1.008 490 V HN 0.555 nan 8.190 nan 0.000 0.463 491 A N 0.877 123.626 122.820 -0.117 0.000 2.560 491 A HA -0.204 4.115 4.320 -0.002 0.000 0.299 491 A C 0.241 177.675 177.584 -0.249 0.000 1.484 491 A CA 1.025 52.966 52.037 -0.160 0.000 0.749 491 A CB -2.217 16.697 19.000 -0.143 0.000 1.072 491 A HN 0.750 nan 8.150 nan 0.000 0.426 492 L N -0.563 120.555 121.223 -0.174 0.000 2.529 492 L HA 0.205 4.544 4.340 -0.002 0.000 0.287 492 L C 0.801 177.549 176.870 -0.202 0.000 1.241 492 L CA 1.091 55.837 54.840 -0.156 0.000 0.857 492 L CB 0.540 42.564 42.059 -0.058 0.000 1.113 492 L HN 0.653 nan 8.230 nan 0.000 0.504 493 K N 2.968 123.249 120.400 -0.198 0.000 2.501 493 K HA 0.269 4.588 4.320 -0.002 0.000 0.252 493 K C -0.804 175.759 176.600 -0.062 0.000 0.934 493 K CA -0.598 55.594 56.287 -0.159 0.000 0.797 493 K CB 1.208 33.553 32.500 -0.259 0.000 1.270 493 K HN 0.698 nan 8.250 nan 0.000 0.431 494 N N 2.278 120.961 118.700 -0.029 0.000 2.725 494 N HA -0.154 4.585 4.740 -0.002 0.000 0.256 494 N C 0.099 175.600 175.510 -0.014 0.000 1.087 494 N CA 0.513 53.557 53.050 -0.010 0.000 0.690 494 N CB -0.892 37.593 38.487 -0.003 0.000 0.891 494 N HN 0.395 nan 8.380 nan 0.000 0.553 495 V N -2.815 117.105 119.914 0.009 0.000 3.578 495 V HA 0.107 4.226 4.120 -0.002 0.000 0.290 495 V C 1.457 177.581 176.094 0.051 0.000 1.376 495 V CA 0.857 63.171 62.300 0.023 0.000 1.083 495 V CB 0.489 32.374 31.823 0.104 0.000 0.911 495 V HN 0.422 nan 8.190 nan 0.000 0.433 496 D N 1.863 122.288 120.400 0.042 0.000 2.350 496 D HA 0.069 4.708 4.640 -0.002 0.000 0.213 496 D C 0.968 177.285 176.300 0.028 0.000 1.031 496 D CA -0.014 54.017 54.000 0.053 0.000 0.861 496 D CB 0.116 40.947 40.800 0.051 0.000 0.926 496 D HN 0.717 nan 8.370 nan 0.000 0.520 497 I N -0.475 120.099 120.570 0.006 0.000 2.754 497 I HA 0.231 4.399 4.170 -0.002 0.000 0.285 497 I C -0.392 175.721 176.117 -0.006 0.000 1.166 497 I CA -0.348 60.949 61.300 -0.004 0.000 1.417 497 I CB 0.966 38.955 38.000 -0.019 0.000 1.382 497 I HN -0.313 nan 8.210 nan 0.000 0.588 498 S N 6.380 122.079 115.700 -0.001 0.000 2.472 498 S HA 0.562 5.031 4.470 -0.002 0.000 0.303 498 S C -1.889 172.709 174.600 -0.003 0.000 1.099 498 S CA -0.905 57.296 58.200 0.001 0.000 1.077 498 S CB 1.285 64.490 63.200 0.008 0.000 1.031 498 S HN 0.702 nan 8.310 nan 0.000 0.487 499 P HA 0.197 nan 4.420 nan 0.000 0.275 499 P C -0.249 177.044 177.300 -0.010 0.000 1.266 499 P CA -0.460 62.640 63.100 0.001 0.000 0.793 499 P CB 0.375 32.080 31.700 0.008 0.000 1.074 500 S N 1.342 117.043 115.700 0.002 0.000 2.544 500 S HA 0.046 4.515 4.470 -0.002 0.000 0.290 500 S C -1.042 173.513 174.600 -0.076 0.000 1.276 500 S CA -1.027 57.167 58.200 -0.011 0.000 1.075 500 S CB -0.300 62.945 63.200 0.075 0.000 0.849 500 S HN 0.290 nan 8.310 nan 0.000 0.494 501 P HA -0.099 nan 4.420 nan 0.000 0.226 501 P C 0.435 177.628 177.300 -0.178 0.000 1.146 501 P CA 1.145 64.088 63.100 -0.262 0.000 0.773 501 P CB -0.113 31.341 31.700 -0.410 0.000 0.772 502 F N -0.662 119.358 119.950 0.117 0.000 2.693 502 F HA 0.281 4.807 4.527 -0.002 0.000 0.303 502 F C 2.346 178.158 175.800 0.019 0.000 1.097 502 F CA -0.487 57.536 58.000 0.037 0.000 1.330 502 F CB -0.827 38.142 39.000 -0.051 0.000 1.067 502 F HN -0.217 nan 8.300 nan 0.000 0.565 503 R N 2.596 123.182 120.500 0.144 0.000 2.113 503 R HA -0.139 4.200 4.340 -0.002 0.000 0.244 503 R C -0.670 175.679 176.300 0.082 0.000 1.142 503 R CA 2.011 58.166 56.100 0.091 0.000 0.953 503 R CB -1.931 28.401 30.300 0.054 0.000 0.860 503 R HN 0.141 nan 8.270 nan 0.000 0.438 504 P HA -0.037 nan 4.420 nan 0.000 0.236 504 P C -0.251 177.088 177.300 0.064 0.000 1.177 504 P CA 0.651 63.798 63.100 0.078 0.000 0.773 504 P CB 0.102 31.858 31.700 0.093 0.000 0.878 505 L N 1.057 122.322 121.223 0.070 0.000 2.404 505 L HA 0.209 4.548 4.340 -0.002 0.000 0.277 505 L C 1.907 178.766 176.870 -0.019 0.000 1.184 505 L CA -0.311 54.533 54.840 0.007 0.000 1.013 505 L CB 0.155 42.193 42.059 -0.034 0.000 1.318 505 L HN -0.129 nan 8.230 nan 0.000 0.435 506 R N 0.698 121.186 120.500 -0.020 0.000 2.090 506 R HA 0.035 4.374 4.340 -0.002 0.000 0.219 506 R C 1.206 177.473 176.300 -0.055 0.000 1.100 506 R CA 0.374 56.459 56.100 -0.025 0.000 0.991 506 R CB 0.046 30.341 30.300 -0.008 0.000 0.893 506 R HN 0.529 nan 8.270 nan 0.000 0.443 507 N N 1.554 120.213 118.700 -0.069 0.000 2.575 507 N HA -0.045 4.694 4.740 -0.002 0.000 0.192 507 N C -0.119 175.301 175.510 -0.151 0.000 1.200 507 N CA 0.109 53.100 53.050 -0.099 0.000 0.897 507 N CB 0.029 38.460 38.487 -0.094 0.000 0.990 507 N HN 0.018 nan 8.380 nan 0.000 0.449 508 L N 1.343 122.476 121.223 -0.150 0.000 2.418 508 L HA 0.050 4.388 4.340 -0.002 0.000 0.274 508 L C 1.661 178.424 176.870 -0.178 0.000 1.135 508 L CA 0.509 55.232 54.840 -0.196 0.000 0.870 508 L CB 0.832 42.770 42.059 -0.202 0.000 1.154 508 L HN 0.036 nan 8.230 nan 0.000 0.462 509 T N 2.636 117.068 114.554 -0.203 0.000 3.053 509 T HA 0.309 4.657 4.350 -0.002 0.000 0.236 509 T C 0.754 175.365 174.700 -0.147 0.000 0.996 509 T CA 0.074 62.075 62.100 -0.166 0.000 1.185 509 T CB -0.235 68.527 68.868 -0.177 0.000 0.892 509 T HN 0.337 nan 8.240 nan 0.000 0.432 510 I N 2.573 123.043 120.570 -0.167 0.000 2.321 510 I HA 0.533 4.702 4.170 -0.002 0.000 0.291 510 I C -0.860 175.152 176.117 -0.174 0.000 0.998 510 I CA -0.851 60.367 61.300 -0.136 0.000 1.227 510 I CB 1.749 39.683 38.000 -0.111 0.000 1.368 510 I HN 0.300 nan 8.210 nan 0.000 0.466 511 L N 6.559 127.684 121.223 -0.163 0.000 2.410 511 L HA 0.570 4.909 4.340 -0.002 0.000 0.270 511 L C -1.618 175.154 176.870 -0.163 0.000 0.983 511 L CA -0.423 54.278 54.840 -0.233 0.000 0.822 511 L CB 2.017 43.873 42.059 -0.339 0.000 1.285 511 L HN 0.512 nan 8.230 nan 0.000 0.409 512 D N 5.559 125.848 120.400 -0.186 0.000 2.492 512 D HA 0.363 5.002 4.640 -0.002 0.000 0.248 512 D C -0.672 175.495 176.300 -0.222 0.000 1.101 512 D CA -0.201 53.705 54.000 -0.157 0.000 0.840 512 D CB 1.841 42.574 40.800 -0.112 0.000 1.209 512 D HN 0.564 nan 8.370 nan 0.000 0.524 513 L N 3.119 124.158 121.223 -0.306 0.000 3.193 513 L HA 0.165 4.504 4.340 -0.002 0.000 0.305 513 L C 0.541 177.143 176.870 -0.446 0.000 1.299 513 L CA -0.470 54.135 54.840 -0.393 0.000 0.904 513 L CB 0.510 42.246 42.059 -0.538 0.000 1.331 513 L HN 0.251 nan 8.230 nan 0.000 0.588 514 S N -1.781 113.744 115.700 -0.291 0.000 2.617 514 S HA 0.297 4.766 4.470 -0.002 0.000 0.269 514 S C 0.579 175.088 174.600 -0.152 0.000 1.292 514 S CA -0.444 57.631 58.200 -0.209 0.000 1.010 514 S CB 0.896 64.026 63.200 -0.118 0.000 0.944 514 S HN 0.492 nan 8.310 nan 0.000 0.536 515 N N 1.373 120.044 118.700 -0.049 0.000 2.705 515 N HA -0.150 4.589 4.740 -0.002 0.000 0.255 515 N C -0.330 175.127 175.510 -0.088 0.000 1.008 515 N CA 0.857 53.902 53.050 -0.008 0.000 0.742 515 N CB -1.468 37.021 38.487 0.003 0.000 0.906 515 N HN 0.684 nan 8.380 nan 0.000 0.541 516 N N 0.140 118.776 118.700 -0.106 0.000 2.145 516 N HA 0.052 4.791 4.740 -0.002 0.000 0.219 516 N C -0.153 175.302 175.510 -0.091 0.000 1.266 516 N CA -0.135 52.844 53.050 -0.117 0.000 0.902 516 N CB 0.255 38.651 38.487 -0.151 0.000 1.078 516 N HN 0.395 nan 8.380 nan 0.000 0.513 517 N N 1.703 120.363 118.700 -0.067 0.000 2.714 517 N HA -0.182 4.556 4.740 -0.002 0.000 0.253 517 N C -0.714 174.764 175.510 -0.054 0.000 1.024 517 N CA 0.259 53.281 53.050 -0.047 0.000 0.726 517 N CB -1.500 36.963 38.487 -0.040 0.000 0.908 517 N HN 0.326 nan 8.380 nan 0.000 0.542 518 I N 1.094 121.627 120.570 -0.063 0.000 2.671 518 I HA -0.047 4.122 4.170 -0.002 0.000 0.285 518 I C 2.005 178.113 176.117 -0.015 0.000 1.148 518 I CA 0.285 61.562 61.300 -0.038 0.000 1.386 518 I CB 0.399 38.385 38.000 -0.023 0.000 1.406 518 I HN 0.339 nan 8.210 nan 0.000 0.540 519 A N 6.169 128.980 122.820 -0.015 0.000 1.873 519 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 519 A C 0.758 178.341 177.584 -0.003 0.000 1.193 519 A CA 2.372 54.402 52.037 -0.011 0.000 0.629 519 A CB -0.547 18.448 19.000 -0.008 0.000 0.826 519 A HN 0.955 nan 8.150 nan 0.000 0.447 520 N N -3.842 114.870 118.700 0.021 0.000 3.261 520 N HA 0.590 5.329 4.740 -0.002 0.000 0.248 520 N C -1.151 174.412 175.510 0.089 0.000 1.498 520 N CA -0.311 52.759 53.050 0.034 0.000 0.884 520 N CB 1.327 39.829 38.487 0.025 0.000 1.428 520 N HN 0.412 nan 8.380 nan 0.000 0.517 521 I N 0.171 120.814 120.570 0.122 0.000 2.746 521 I HA 0.286 4.455 4.170 -0.002 0.000 0.290 521 I C -1.692 174.551 176.117 0.210 0.000 1.600 521 I CA -0.437 60.981 61.300 0.197 0.000 1.019 521 I CB 1.650 39.861 38.000 0.353 0.000 1.426 521 I HN 0.957 nan 8.210 nan 0.000 0.460 522 N N 5.693 124.491 118.700 0.164 0.000 2.489 522 N HA 0.256 4.994 4.740 -0.002 0.000 0.284 522 N C 0.589 176.179 175.510 0.133 0.000 1.158 522 N CA -0.552 52.581 53.050 0.138 0.000 0.965 522 N CB 1.489 40.025 38.487 0.082 0.000 1.195 522 N HN 0.646 nan 8.380 nan 0.000 0.506 523 E N 0.059 120.326 120.200 0.111 0.000 2.219 523 E HA -0.353 3.996 4.350 -0.002 0.000 0.198 523 E C 0.663 177.255 176.600 -0.013 0.000 0.998 523 E CA 1.399 57.827 56.400 0.047 0.000 0.818 523 E CB -0.192 29.532 29.700 0.039 0.000 0.741 523 E HN 0.644 nan 8.360 nan 0.000 0.477 524 D N 1.287 121.695 120.400 0.013 0.000 2.157 524 D HA -0.194 4.445 4.640 -0.002 0.000 0.191 524 D C 0.844 177.140 176.300 -0.006 0.000 1.004 524 D CA 0.620 54.623 54.000 0.004 0.000 0.854 524 D CB -0.344 40.467 40.800 0.017 0.000 0.936 524 D HN 0.201 nan 8.370 nan 0.000 0.446 525 L N 0.367 121.591 121.223 0.001 0.000 2.554 525 L HA -0.073 4.266 4.340 -0.002 0.000 0.293 525 L C 0.914 177.747 176.870 -0.062 0.000 1.252 525 L CA 0.619 55.472 54.840 0.021 0.000 0.862 525 L CB 0.158 42.249 42.059 0.054 0.000 1.113 525 L HN 0.370 nan 8.230 nan 0.000 0.510 526 L N 0.420 121.654 121.223 0.017 0.000 5.051 526 L HA -0.251 4.088 4.340 -0.002 0.000 0.432 526 L C 0.679 177.524 176.870 -0.042 0.000 1.055 526 L CA 0.933 55.742 54.840 -0.052 0.000 1.095 526 L CB -1.376 40.564 42.059 -0.199 0.000 1.957 526 L HN 0.797 nan 8.230 nan 0.000 0.727 527 E N 0.833 121.022 120.200 -0.017 0.000 2.383 527 E HA 0.283 4.632 4.350 -0.002 0.000 0.257 527 E C 1.383 177.985 176.600 0.004 0.000 1.079 527 E CA 0.923 57.316 56.400 -0.012 0.000 0.934 527 E CB 0.193 29.891 29.700 -0.003 0.000 0.978 527 E HN 0.362 nan 8.360 nan 0.000 0.462 528 G N 4.058 112.858 108.800 0.001 0.000 2.176 528 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.232 528 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.232 528 G C 0.308 175.214 174.900 0.010 0.000 0.986 528 G CA 0.061 45.167 45.100 0.010 0.000 0.643 528 G HN 0.553 nan 8.290 nan 0.000 0.522 529 L N 1.343 122.566 121.223 -0.001 0.000 2.384 529 L HA 0.390 4.729 4.340 -0.002 0.000 0.258 529 L C 1.555 178.434 176.870 0.015 0.000 1.266 529 L CA 0.091 54.924 54.840 -0.011 0.000 1.162 529 L CB 0.643 42.679 42.059 -0.039 0.000 1.375 529 L HN 0.257 nan 8.230 nan 0.000 0.420 530 E N 1.476 121.697 120.200 0.035 0.000 2.478 530 E HA -0.120 4.229 4.350 -0.002 0.000 0.198 530 E C 1.071 177.735 176.600 0.107 0.000 1.046 530 E CA 0.955 57.414 56.400 0.098 0.000 0.870 530 E CB 0.207 29.970 29.700 0.105 0.000 0.818 530 E HN 0.523 nan 8.360 nan 0.000 0.527 531 N N -0.026 118.676 118.700 0.004 0.000 2.197 531 N HA 0.010 4.748 4.740 -0.002 0.000 0.201 531 N C -0.115 175.363 175.510 -0.052 0.000 1.148 531 N CA -0.236 52.768 53.050 -0.076 0.000 0.883 531 N CB 0.358 38.769 38.487 -0.126 0.000 1.012 531 N HN 0.196 nan 8.380 nan 0.000 0.507 532 L N 2.969 124.179 121.223 -0.022 0.000 2.698 532 L HA -0.013 4.325 4.340 -0.002 0.000 0.272 532 L C 0.851 177.740 176.870 0.031 0.000 1.154 532 L CA 1.106 55.928 54.840 -0.030 0.000 0.964 532 L CB 0.108 42.145 42.059 -0.037 0.000 1.272 532 L HN 0.181 nan 8.230 nan 0.000 0.483 533 E N 4.442 124.641 120.200 -0.003 0.000 2.152 533 E HA 0.109 4.458 4.350 -0.002 0.000 0.195 533 E C -0.206 176.435 176.600 0.068 0.000 0.934 533 E CA 0.236 56.661 56.400 0.041 0.000 0.869 533 E CB 0.368 29.991 29.700 -0.128 0.000 0.842 533 E HN 0.527 nan 8.360 nan 0.000 0.472 534 I N 1.833 122.410 120.570 0.012 0.000 2.377 534 I HA 0.236 4.405 4.170 -0.002 0.000 0.293 534 I C -0.817 175.316 176.117 0.026 0.000 0.987 534 I CA -0.617 60.702 61.300 0.032 0.000 1.185 534 I CB 1.552 39.557 38.000 0.008 0.000 1.341 534 I HN -0.006 nan 8.210 nan 0.000 0.455 535 L N 6.175 127.441 121.223 0.071 0.000 2.438 535 L HA 0.675 5.014 4.340 -0.002 0.000 0.270 535 L C -1.718 175.250 176.870 0.163 0.000 0.972 535 L CA -0.211 54.694 54.840 0.109 0.000 0.831 535 L CB 1.766 43.910 42.059 0.141 0.000 1.273 535 L HN 0.419 nan 8.230 nan 0.000 0.405 536 D N 4.629 125.124 120.400 0.157 0.000 2.391 536 D HA 0.400 5.039 4.640 -0.002 0.000 0.245 536 D C -0.460 175.930 176.300 0.151 0.000 1.069 536 D CA 0.400 54.477 54.000 0.128 0.000 0.831 536 D CB 1.426 42.236 40.800 0.017 0.000 1.204 536 D HN 0.501 nan 8.370 nan 0.000 0.503 537 F N 0.711 120.629 119.950 -0.054 0.000 2.815 537 F HA 0.111 4.637 4.527 -0.002 0.000 0.323 537 F C 0.253 175.970 175.800 -0.137 0.000 1.151 537 F CA -0.511 57.441 58.000 -0.080 0.000 1.191 537 F CB 0.727 39.673 39.000 -0.090 0.000 1.069 537 F HN 0.047 nan 8.300 nan 0.000 0.514 538 Q N 0.969 120.716 119.800 -0.090 0.000 2.263 538 Q HA 0.046 4.385 4.340 -0.002 0.000 0.289 538 Q C -0.247 175.564 176.000 -0.315 0.000 1.061 538 Q CA 0.717 56.319 55.803 -0.334 0.000 0.927 538 Q CB -0.239 28.229 28.738 -0.451 0.000 1.154 538 Q HN 0.188 nan 8.270 nan 0.000 0.378 539 H N 2.127 121.185 119.070 -0.020 0.000 2.935 539 H HA -0.156 4.399 4.556 -0.002 0.000 0.341 539 H C -0.786 174.505 175.328 -0.062 0.000 1.161 539 H CA 0.394 56.419 56.048 -0.039 0.000 1.135 539 H CB -1.530 28.208 29.762 -0.039 0.000 1.605 539 H HN 0.802 nan 8.280 nan 0.000 0.409 540 N N 1.137 119.849 118.700 0.020 0.000 2.286 540 N HA -0.053 4.686 4.740 -0.002 0.000 0.245 540 N C 0.328 175.823 175.510 -0.024 0.000 1.363 540 N CA -0.203 52.836 53.050 -0.019 0.000 0.822 540 N CB 0.425 38.882 38.487 -0.050 0.000 1.345 540 N HN 0.489 nan 8.380 nan 0.000 0.494 541 N N 1.656 120.340 118.700 -0.025 0.000 2.718 541 N HA -0.206 4.533 4.740 -0.002 0.000 0.268 541 N C -0.034 175.429 175.510 -0.079 0.000 0.965 541 N CA 0.186 53.208 53.050 -0.046 0.000 0.817 541 N CB -0.600 37.868 38.487 -0.031 0.000 0.914 541 N HN 0.238 nan 8.380 nan 0.000 0.558 542 L N 0.744 121.885 121.223 -0.136 0.000 2.728 542 L HA 0.357 4.696 4.340 -0.002 0.000 0.235 542 L C 1.930 178.616 176.870 -0.307 0.000 1.197 542 L CA 0.719 55.414 54.840 -0.242 0.000 0.992 542 L CB -0.499 41.346 42.059 -0.356 0.000 1.263 542 L HN 0.351 nan 8.230 nan 0.000 0.484 543 A N 1.163 123.875 122.820 -0.181 0.000 1.859 543 A HA -0.273 4.046 4.320 -0.002 0.000 0.218 543 A C 2.146 179.678 177.584 -0.086 0.000 1.209 543 A CA 2.239 54.200 52.037 -0.127 0.000 0.639 543 A CB -0.394 18.566 19.000 -0.066 0.000 0.835 543 A HN 0.615 nan 8.150 nan 0.000 0.450 544 R N 0.129 120.595 120.500 -0.057 0.000 2.280 544 R HA 0.164 4.503 4.340 -0.002 0.000 0.207 544 R C 1.266 177.573 176.300 0.010 0.000 1.043 544 R CA 0.589 56.682 56.100 -0.013 0.000 1.006 544 R CB -0.716 29.580 30.300 -0.008 0.000 0.885 544 R HN 0.376 nan 8.270 nan 0.000 0.467 545 L N -0.603 120.594 121.223 -0.042 0.000 2.549 545 L HA -0.003 4.336 4.340 -0.002 0.000 0.229 545 L C -0.095 176.958 176.870 0.304 0.000 1.158 545 L CA 0.977 55.831 54.840 0.024 0.000 0.842 545 L CB -0.818 41.153 42.059 -0.146 0.000 0.952 545 L HN 0.274 nan 8.230 nan 0.000 0.452 551 P HA 0.302 nan 4.420 nan 0.000 0.263 551 P C 0.691 178.002 177.300 0.018 0.000 1.601 551 P CA 0.638 63.748 63.100 0.017 0.000 1.161 551 P CB -0.186 31.526 31.700 0.020 0.000 1.730 552 G N 1.727 110.534 108.800 0.012 0.000 2.198 552 G HA2 0.050 4.009 3.960 -0.002 0.000 0.260 552 G HA3 0.050 4.009 3.960 -0.002 0.000 0.260 552 G C 0.464 175.370 174.900 0.011 0.000 1.025 552 G CA 0.264 45.370 45.100 0.011 0.000 0.769 552 G HN 1.069 nan 8.290 nan 0.000 0.507 553 G N -1.077 107.729 108.800 0.009 0.000 2.692 553 G HA2 0.322 4.281 3.960 -0.002 0.000 0.686 553 G HA3 0.322 4.281 3.960 -0.002 0.000 0.686 553 G C -1.449 173.460 174.900 0.016 0.000 1.243 553 G CA -0.049 45.053 45.100 0.004 0.000 0.782 553 G HN 1.071 nan 8.290 nan 0.000 0.625 554 P HA 0.394 nan 4.420 nan 0.000 0.271 554 P C 0.272 177.599 177.300 0.045 0.000 1.218 554 P CA -0.234 62.883 63.100 0.029 0.000 0.780 554 P CB 1.228 32.905 31.700 -0.038 0.000 0.901 555 V N 4.027 124.017 119.914 0.127 0.000 2.415 555 V HA 0.006 4.125 4.120 -0.002 0.000 0.267 555 V C 1.637 177.833 176.094 0.170 0.000 1.042 555 V CA -0.024 62.370 62.300 0.158 0.000 1.000 555 V CB -0.800 31.158 31.823 0.225 0.000 1.015 555 V HN 0.651 nan 8.190 nan 0.000 0.478 556 N N 4.813 123.561 118.700 0.079 0.000 3.117 556 N HA -0.015 4.724 4.740 -0.002 0.000 0.323 556 N C 0.307 175.873 175.510 0.094 0.000 1.245 556 N CA -0.397 52.670 53.050 0.029 0.000 1.191 556 N CB -0.137 38.340 38.487 -0.017 0.000 1.451 556 N HN 0.592 nan 8.380 nan 0.000 0.555 557 F N 1.280 121.244 119.950 0.023 0.000 2.640 557 F HA -0.065 4.461 4.527 -0.002 0.000 0.329 557 F C 1.270 177.048 175.800 -0.038 0.000 1.224 557 F CA 0.506 58.523 58.000 0.029 0.000 1.373 557 F CB 0.404 39.481 39.000 0.129 0.000 1.129 557 F HN 0.232 nan 8.300 nan 0.000 0.610 558 L N 1.145 122.208 121.223 -0.267 0.000 3.737 558 L HA -0.307 4.032 4.340 -0.002 0.000 0.418 558 L C 0.262 177.075 176.870 -0.095 0.000 1.216 558 L CA 0.455 55.215 54.840 -0.134 0.000 0.915 558 L CB -1.567 40.498 42.059 0.009 0.000 1.834 558 L HN 0.535 nan 8.230 nan 0.000 0.943 559 K N 1.412 121.752 120.400 -0.101 0.000 2.322 559 K HA 0.317 4.636 4.320 -0.002 0.000 0.283 559 K C 1.376 177.948 176.600 -0.046 0.000 1.042 559 K CA 0.639 56.887 56.287 -0.065 0.000 0.958 559 K CB 0.955 33.422 32.500 -0.053 0.000 0.984 559 K HN 0.313 nan 8.250 nan 0.000 0.473 560 G N 3.629 112.412 108.800 -0.029 0.000 2.309 560 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.286 560 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.286 560 G C 0.017 174.925 174.900 0.013 0.000 1.002 560 G CA 0.699 45.797 45.100 -0.003 0.000 0.786 560 G HN 0.570 nan 8.290 nan 0.000 0.511 561 L N 1.429 122.656 121.223 0.008 0.000 2.511 561 L HA 0.344 4.683 4.340 -0.002 0.000 0.239 561 L C 1.978 178.888 176.870 0.067 0.000 1.400 561 L CA 0.593 55.457 54.840 0.040 0.000 1.226 561 L CB -0.312 41.764 42.059 0.029 0.000 1.475 561 L HN 0.312 nan 8.230 nan 0.000 0.428 562 S N -0.786 114.947 115.700 0.055 0.000 2.393 562 S HA -0.323 4.146 4.470 -0.002 0.000 0.234 562 S C 1.674 176.281 174.600 0.013 0.000 1.064 562 S CA 1.619 59.835 58.200 0.026 0.000 1.088 562 S CB -0.666 62.513 63.200 -0.036 0.000 0.939 562 S HN 0.644 nan 8.310 nan 0.000 0.448 563 H N 0.955 120.092 119.070 0.112 0.000 2.543 563 H HA 0.348 4.903 4.556 -0.002 0.000 0.269 563 H C 0.610 176.098 175.328 0.267 0.000 1.005 563 H CA 0.010 56.165 56.048 0.177 0.000 1.146 563 H CB -0.354 29.485 29.762 0.129 0.000 1.353 563 H HN 0.420 nan 8.280 nan 0.000 0.595 564 L N 1.505 122.886 121.223 0.263 0.000 2.477 564 L HA -0.028 4.311 4.340 -0.002 0.000 0.272 564 L C 0.811 177.838 176.870 0.262 0.000 1.157 564 L CA -0.099 54.882 54.840 0.235 0.000 0.889 564 L CB 0.532 42.671 42.059 0.133 0.000 1.158 564 L HN 0.101 nan 8.230 nan 0.000 0.473 565 H N 4.504 123.624 119.070 0.084 0.000 2.315 565 H HA 0.272 4.827 4.556 -0.002 0.000 0.318 565 H C -0.007 175.364 175.328 0.071 0.000 1.068 565 H CA 0.532 56.627 56.048 0.078 0.000 1.465 565 H CB 0.302 30.105 29.762 0.069 0.000 1.475 565 H HN 0.435 nan 8.280 nan 0.000 0.597 566 I N 2.156 122.851 120.570 0.209 0.000 2.330 566 I HA 0.242 4.411 4.170 -0.002 0.000 0.289 566 I C -1.243 174.949 176.117 0.126 0.000 1.001 566 I CA -0.839 60.543 61.300 0.136 0.000 1.193 566 I CB 0.695 38.762 38.000 0.112 0.000 1.345 566 I HN 0.070 nan 8.210 nan 0.000 0.461 567 L N 9.054 130.355 121.223 0.131 0.000 2.322 567 L HA 0.548 4.887 4.340 -0.002 0.000 0.281 567 L C -0.900 176.051 176.870 0.136 0.000 1.014 567 L CA -0.082 54.848 54.840 0.150 0.000 0.815 567 L CB 1.281 43.462 42.059 0.204 0.000 1.247 567 L HN 0.595 nan 8.230 nan 0.000 0.421 568 N N 4.812 123.591 118.700 0.133 0.000 2.442 568 N HA 0.390 5.128 4.740 -0.002 0.000 0.274 568 N C -0.963 174.612 175.510 0.108 0.000 1.002 568 N CA -0.256 52.856 53.050 0.104 0.000 0.910 568 N CB 1.602 40.136 38.487 0.078 0.000 1.244 568 N HN 0.641 nan 8.380 nan 0.000 0.492 569 L N 2.276 123.539 121.223 0.067 0.000 3.366 569 L HA 0.289 4.628 4.340 -0.002 0.000 0.304 569 L C 0.591 177.448 176.870 -0.022 0.000 1.292 569 L CA -0.190 54.659 54.840 0.014 0.000 1.012 569 L CB -0.008 42.023 42.059 -0.047 0.000 1.414 569 L HN 0.579 nan 8.230 nan 0.000 0.603 570 E N 0.478 120.656 120.200 -0.038 0.000 2.481 570 E HA -0.019 4.330 4.350 -0.002 0.000 0.263 570 E C 0.617 177.144 176.600 -0.121 0.000 0.992 570 E CA 0.586 56.945 56.400 -0.069 0.000 0.938 570 E CB 0.446 30.088 29.700 -0.096 0.000 0.933 570 E HN 0.212 nan 8.360 nan 0.000 0.453 571 S N 3.160 118.830 115.700 -0.050 0.000 3.255 571 S HA -0.264 4.205 4.470 -0.002 0.000 0.358 571 S C -0.063 174.528 174.600 -0.015 0.000 0.915 571 S CA 1.420 59.620 58.200 0.000 0.000 1.335 571 S CB -1.417 61.850 63.200 0.112 0.000 0.938 571 S HN 0.754 nan 8.310 nan 0.000 0.550 572 N N 1.099 119.775 118.700 -0.040 0.000 2.241 572 N HA 0.400 5.138 4.740 -0.002 0.000 0.238 572 N C 1.163 176.622 175.510 -0.086 0.000 1.244 572 N CA 0.279 53.288 53.050 -0.069 0.000 0.880 572 N CB 0.174 38.586 38.487 -0.125 0.000 1.179 572 N HN 0.945 nan 8.380 nan 0.000 0.513 573 G N 0.868 109.638 108.800 -0.049 0.000 2.205 573 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.261 573 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.261 573 G C -0.045 174.825 174.900 -0.050 0.000 0.980 573 G CA -0.103 44.970 45.100 -0.046 0.000 0.632 573 G HN 0.212 nan 8.290 nan 0.000 0.533 574 L N 2.094 123.275 121.223 -0.071 0.000 2.628 574 L HA 0.318 4.657 4.340 -0.002 0.000 0.274 574 L C 1.426 178.313 176.870 0.028 0.000 1.209 574 L CA 1.445 56.265 54.840 -0.033 0.000 0.930 574 L CB 0.834 42.881 42.059 -0.021 0.000 1.183 574 L HN 0.490 nan 8.230 nan 0.000 0.492 575 D N 1.697 122.127 120.400 0.050 0.000 2.498 575 D HA 0.047 4.686 4.640 -0.002 0.000 0.223 575 D C 0.186 176.524 176.300 0.063 0.000 1.125 575 D CA -0.026 54.002 54.000 0.047 0.000 0.835 575 D CB 0.322 41.138 40.800 0.027 0.000 1.086 575 D HN 0.501 nan 8.370 nan 0.000 0.510 576 E N 1.024 121.285 120.200 0.102 0.000 2.334 576 E HA 0.346 4.695 4.350 -0.002 0.000 0.280 576 E C -1.317 175.373 176.600 0.150 0.000 0.899 576 E CA -0.819 55.632 56.400 0.085 0.000 0.813 576 E CB 1.276 31.006 29.700 0.051 0.000 1.318 576 E HN 0.081 nan 8.360 nan 0.000 0.399 577 I N 3.449 124.078 120.570 0.099 0.000 2.322 577 I HA 0.380 4.549 4.170 -0.002 0.000 0.292 577 I C -2.086 173.941 176.117 -0.150 0.000 1.060 577 I CA -2.132 59.203 61.300 0.060 0.000 1.309 577 I CB 0.003 38.058 38.000 0.091 0.000 1.415 577 I HN 0.242 nan 8.210 nan 0.000 0.492 578 P HA 0.081 nan 4.420 nan 0.000 0.272 578 P C -0.136 176.992 177.300 -0.287 0.000 1.240 578 P CA -0.380 62.560 63.100 -0.268 0.000 0.791 578 P CB 0.868 32.382 31.700 -0.310 0.000 0.978 579 V N -2.138 117.650 119.914 -0.210 0.000 2.486 579 V HA 0.233 4.352 4.120 -0.002 0.000 0.290 579 V C 1.399 177.385 176.094 -0.181 0.000 0.991 579 V CA 0.270 62.466 62.300 -0.174 0.000 1.142 579 V CB -1.423 30.331 31.823 -0.116 0.000 0.926 579 V HN 1.032 nan 8.190 nan 0.000 0.472 580 G N 3.158 111.862 108.800 -0.159 0.000 2.305 580 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.287 580 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.287 580 G C 0.354 175.144 174.900 -0.184 0.000 1.036 580 G CA 0.557 45.579 45.100 -0.129 0.000 0.887 580 G HN 2.312 nan 8.290 nan 0.000 0.505 581 V N -3.904 115.820 119.914 -0.317 0.000 3.620 581 V HA 0.578 4.697 4.120 -0.002 0.000 0.286 581 V C 1.226 176.974 176.094 -0.576 0.000 1.288 581 V CA 0.738 62.718 62.300 -0.532 0.000 1.178 581 V CB -0.730 30.492 31.823 -1.002 0.000 0.986 581 V HN 0.333 nan 8.190 nan 0.000 0.431 582 F N -0.024 119.802 119.950 -0.207 0.000 2.791 582 F HA 0.482 5.007 4.527 -0.002 0.000 0.316 582 F C 0.967 176.669 175.800 -0.163 0.000 1.134 582 F CA -0.790 57.138 58.000 -0.119 0.000 1.222 582 F CB 0.487 39.469 39.000 -0.030 0.000 1.034 582 F HN -0.021 nan 8.300 nan 0.000 0.516 583 K N 0.997 121.361 120.400 -0.060 0.000 2.270 583 K HA 0.123 4.442 4.320 -0.002 0.000 0.276 583 K C 0.629 177.085 176.600 -0.239 0.000 1.023 583 K CA 0.274 56.467 56.287 -0.157 0.000 0.955 583 K CB 0.303 32.727 32.500 -0.126 0.000 0.975 583 K HN 0.171 nan 8.250 nan 0.000 0.471 584 N N 1.247 119.654 118.700 -0.489 0.000 2.936 584 N HA -0.218 4.521 4.740 -0.002 0.000 0.236 584 N C -0.801 174.382 175.510 -0.546 0.000 0.930 584 N CA 0.878 53.569 53.050 -0.598 0.000 0.966 584 N CB -1.173 37.251 38.487 -0.104 0.000 1.090 584 N HN 0.497 nan 8.380 nan 0.000 0.592 585 L N 1.191 122.148 121.223 -0.444 0.000 2.389 585 L HA 0.288 4.626 4.340 -0.002 0.000 0.265 585 L C 1.051 177.765 176.870 -0.260 0.000 1.167 585 L CA -0.342 54.385 54.840 -0.187 0.000 1.045 585 L CB -0.402 41.644 42.059 -0.022 0.000 1.351 585 L HN -0.088 nan 8.230 nan 0.000 0.419 586 F N 0.037 119.976 119.950 -0.018 0.000 2.262 586 F HA -0.002 4.524 4.527 -0.002 0.000 0.292 586 F C 2.094 177.854 175.800 -0.066 0.000 1.081 586 F CA 0.582 58.562 58.000 -0.034 0.000 1.355 586 F CB 0.079 39.052 39.000 -0.045 0.000 1.069 586 F HN 0.389 nan 8.300 nan 0.000 0.506 587 E N 0.749 121.001 120.200 0.087 0.000 2.511 587 E HA -0.028 4.321 4.350 -0.002 0.000 0.196 587 E C 0.499 176.959 176.600 -0.234 0.000 1.066 587 E CA -0.121 56.215 56.400 -0.108 0.000 0.871 587 E CB -0.045 29.570 29.700 -0.141 0.000 0.863 587 E HN 0.262 nan 8.360 nan 0.000 0.520 588 L N 1.599 122.772 121.223 -0.083 0.000 2.530 588 L HA -0.023 4.316 4.340 -0.002 0.000 0.273 588 L C 1.038 177.877 176.870 -0.051 0.000 1.141 588 L CA 0.037 54.852 54.840 -0.042 0.000 0.905 588 L CB 0.522 42.600 42.059 0.032 0.000 1.202 588 L HN -0.154 nan 8.230 nan 0.000 0.473 589 K N 2.018 122.391 120.400 -0.046 0.000 2.168 589 K HA 0.098 4.417 4.320 -0.002 0.000 0.201 589 K C 0.192 176.805 176.600 0.023 0.000 1.049 589 K CA 0.485 56.768 56.287 -0.006 0.000 0.974 589 K CB 0.371 32.890 32.500 0.032 0.000 0.792 589 K HN 0.512 nan 8.250 nan 0.000 0.463 590 S N 0.205 115.932 115.700 0.045 0.000 2.733 590 S HA 0.511 4.980 4.470 -0.002 0.000 0.294 590 S C -0.978 173.650 174.600 0.046 0.000 1.149 590 S CA -0.848 57.376 58.200 0.040 0.000 1.034 590 S CB 0.226 63.461 63.200 0.057 0.000 1.015 590 S HN 0.114 nan 8.310 nan 0.000 0.486 591 I N 4.391 124.966 120.570 0.009 0.000 2.392 591 I HA 0.451 4.619 4.170 -0.002 0.000 0.295 591 I C -0.184 175.954 176.117 0.035 0.000 0.985 591 I CA -0.729 60.586 61.300 0.026 0.000 1.221 591 I CB 1.712 39.663 38.000 -0.082 0.000 1.366 591 I HN 0.620 nan 8.210 nan 0.000 0.467 592 N N 7.067 125.812 118.700 0.074 0.000 2.540 592 N HA 0.395 5.133 4.740 -0.002 0.000 0.275 592 N C -0.844 174.715 175.510 0.082 0.000 1.053 592 N CA -0.422 52.669 53.050 0.068 0.000 0.876 592 N CB 1.003 39.524 38.487 0.057 0.000 1.284 592 N HN 0.588 nan 8.380 nan 0.000 0.518 593 L N 2.051 123.329 121.223 0.092 0.000 3.110 593 L HA 0.488 4.826 4.340 -0.002 0.000 0.266 593 L C 1.337 178.252 176.870 0.075 0.000 1.257 593 L CA -0.696 54.207 54.840 0.104 0.000 1.038 593 L CB 0.263 42.423 42.059 0.168 0.000 1.395 593 L HN 0.565 nan 8.230 nan 0.000 0.566 594 G N -0.308 108.525 108.800 0.055 0.000 2.744 594 G HA2 0.179 4.138 3.960 -0.002 0.000 0.257 594 G HA3 0.179 4.138 3.960 -0.002 0.000 0.257 594 G C 0.782 175.697 174.900 0.024 0.000 1.244 594 G CA -0.478 44.648 45.100 0.043 0.000 0.916 594 G HN 0.353 nan 8.290 nan 0.000 0.564 595 L N -0.385 120.846 121.223 0.014 0.000 3.829 595 L HA -0.201 4.138 4.340 -0.002 0.000 0.440 595 L C 0.263 177.140 176.870 0.011 0.000 1.192 595 L CA 0.179 55.023 54.840 0.006 0.000 0.848 595 L CB -1.439 40.633 42.059 0.021 0.000 1.744 595 L HN 0.495 nan 8.230 nan 0.000 0.920 596 N N -0.303 118.407 118.700 0.016 0.000 2.653 596 N HA 0.436 5.175 4.740 -0.002 0.000 0.294 596 N C -0.194 175.326 175.510 0.017 0.000 1.305 596 N CA -0.723 52.338 53.050 0.018 0.000 0.827 596 N CB 0.946 39.454 38.487 0.034 0.000 1.415 596 N HN -0.004 nan 8.380 nan 0.000 0.546 597 N N 0.832 119.543 118.700 0.019 0.000 2.936 597 N HA 0.374 5.113 4.740 -0.002 0.000 0.243 597 N C -1.107 174.420 175.510 0.030 0.000 1.149 597 N CA -0.048 53.012 53.050 0.016 0.000 0.914 597 N CB 0.357 38.850 38.487 0.011 0.000 1.179 597 N HN 0.297 nan 8.380 nan 0.000 0.502 598 L N 1.909 123.155 121.223 0.038 0.000 2.388 598 L HA 0.375 4.714 4.340 -0.002 0.000 0.267 598 L C 0.597 177.495 176.870 0.048 0.000 0.995 598 L CA -0.454 54.418 54.840 0.054 0.000 0.864 598 L CB 1.000 43.114 42.059 0.092 0.000 1.216 598 L HN 0.320 nan 8.230 nan 0.000 0.430 599 N N 0.803 119.521 118.700 0.030 0.000 2.382 599 N HA -0.000 4.739 4.740 -0.002 0.000 0.200 599 N C 0.078 175.598 175.510 0.018 0.000 1.122 599 N CA -0.162 52.904 53.050 0.027 0.000 0.870 599 N CB 0.314 38.808 38.487 0.012 0.000 1.176 599 N HN 0.226 nan 8.380 nan 0.000 0.474 600 K N 1.327 121.726 120.400 -0.001 0.000 2.171 600 K HA 0.201 4.520 4.320 -0.002 0.000 0.274 600 K C -0.932 175.627 176.600 -0.068 0.000 1.110 600 K CA -0.215 56.054 56.287 -0.031 0.000 0.952 600 K CB 0.501 32.984 32.500 -0.029 0.000 1.309 600 K HN 0.116 nan 8.250 nan 0.000 0.414 601 L N 3.567 124.729 121.223 -0.101 0.000 2.283 601 L HA 0.230 4.569 4.340 -0.002 0.000 0.281 601 L C 0.302 177.020 176.870 -0.254 0.000 1.033 601 L CA -0.290 54.423 54.840 -0.211 0.000 0.848 601 L CB 0.736 42.628 42.059 -0.278 0.000 1.226 601 L HN 0.463 nan 8.230 nan 0.000 0.429 602 E N 4.787 124.835 120.200 -0.254 0.000 2.220 602 E HA 0.158 4.507 4.350 -0.002 0.000 0.272 602 E C -2.097 174.291 176.600 -0.354 0.000 1.099 602 E CA -1.752 54.495 56.400 -0.254 0.000 0.907 602 E CB 0.546 30.129 29.700 -0.195 0.000 1.022 602 E HN 0.269 nan 8.360 nan 0.000 0.428 603 P HA -0.162 nan 4.420 nan 0.000 0.261 603 P C -0.314 176.575 177.300 -0.684 0.000 1.140 603 P CA 1.033 63.702 63.100 -0.718 0.000 0.757 603 P CB -0.114 31.040 31.700 -0.910 0.000 0.735 604 F N -0.386 119.388 119.950 -0.293 0.000 2.359 604 F HA -0.213 4.312 4.527 -0.002 0.000 0.297 604 F C 1.617 177.222 175.800 -0.325 0.000 0.635 604 F CA -0.527 57.317 58.000 -0.260 0.000 1.791 604 F CB -1.623 37.267 39.000 -0.184 0.000 2.250 604 F HN 0.275 nan 8.300 nan 0.000 0.294 605 I N -1.653 118.684 120.570 -0.387 0.000 2.361 605 I HA -0.089 4.080 4.170 -0.002 0.000 0.251 605 I C 0.790 176.577 176.117 -0.550 0.000 1.133 605 I CA 1.714 62.678 61.300 -0.560 0.000 1.413 605 I CB -1.036 36.406 38.000 -0.929 0.000 1.073 605 I HN 0.030 nan 8.210 nan 0.000 0.424 606 F N 2.156 121.988 119.950 -0.196 0.000 2.375 606 F HA 0.487 5.013 4.527 -0.001 0.000 0.361 606 F C 0.658 176.389 175.800 -0.116 0.000 1.117 606 F CA -1.038 56.836 58.000 -0.210 0.000 1.037 606 F CB 0.996 39.833 39.000 -0.272 0.000 1.192 606 F HN -0.136 nan 8.300 nan 0.000 0.452 607 D N 0.590 121.024 120.400 0.056 0.000 2.559 607 D HA 0.008 4.647 4.640 -0.002 0.000 0.296 607 D C 0.884 177.183 176.300 -0.002 0.000 1.118 607 D CA 0.494 54.499 54.000 0.008 0.000 0.967 607 D CB 0.081 40.846 40.800 -0.058 0.000 1.607 607 D HN 0.398 nan 8.370 nan 0.000 0.493 608 D N 0.612 120.969 120.400 -0.072 0.000 2.349 608 D HA 0.012 4.651 4.640 -0.002 0.000 0.215 608 D C 0.088 176.348 176.300 -0.066 0.000 1.016 608 D CA 0.449 54.354 54.000 -0.158 0.000 0.870 608 D CB 0.089 40.502 40.800 -0.644 0.000 0.917 608 D HN 0.029 nan 8.370 nan 0.000 0.524 609 Q N 0.111 119.897 119.800 -0.022 0.000 3.006 609 Q HA 0.197 4.536 4.340 -0.002 0.000 0.260 609 Q C 0.560 176.578 176.000 0.029 0.000 1.356 609 Q CA 0.044 55.841 55.803 -0.011 0.000 1.070 609 Q CB 0.003 28.701 28.738 -0.067 0.000 1.507 609 Q HN 0.138 nan 8.270 nan 0.000 0.568 610 T N -4.732 109.865 114.554 0.072 0.000 3.105 610 T HA 0.131 4.479 4.350 -0.002 0.000 0.253 610 T C 1.220 175.971 174.700 0.085 0.000 1.047 610 T CA 0.091 62.245 62.100 0.091 0.000 0.944 610 T CB 0.335 69.269 68.868 0.110 0.000 1.016 610 T HN 0.233 nan 8.240 nan 0.000 0.544 611 S N 0.149 115.890 115.700 0.068 0.000 2.603 611 S HA 0.363 4.832 4.470 -0.002 0.000 0.232 611 S C 0.396 175.015 174.600 0.032 0.000 1.016 611 S CA -0.626 57.605 58.200 0.052 0.000 0.976 611 S CB -0.334 62.893 63.200 0.044 0.000 0.921 611 S HN 0.433 nan 8.310 nan 0.000 0.516 612 L N 2.952 124.188 121.223 0.022 0.000 2.593 612 L HA 0.194 4.533 4.340 -0.002 0.000 0.287 612 L C 1.052 177.937 176.870 0.026 0.000 1.243 612 L CA 0.922 55.762 54.840 0.000 0.000 0.890 612 L CB 0.417 42.453 42.059 -0.039 0.000 1.134 612 L HN 0.225 nan 8.230 nan 0.000 0.502 613 R N 1.265 121.779 120.500 0.023 0.000 2.316 613 R HA 0.262 4.601 4.340 -0.002 0.000 0.201 613 R C -0.693 175.629 176.300 0.037 0.000 0.888 613 R CA 0.716 56.840 56.100 0.039 0.000 1.041 613 R CB 0.434 30.760 30.300 0.042 0.000 1.115 613 R HN 0.849 nan 8.270 nan 0.000 0.559 614 S N -0.054 115.661 115.700 0.024 0.000 2.605 614 S HA 0.331 4.800 4.470 -0.002 0.000 0.279 614 S C -1.464 173.142 174.600 0.010 0.000 1.166 614 S CA -1.054 57.161 58.200 0.027 0.000 0.975 614 S CB 1.451 64.675 63.200 0.040 0.000 1.111 614 S HN 0.042 nan 8.310 nan 0.000 0.465 615 L N 2.683 123.910 121.223 0.008 0.000 2.331 615 L HA 0.739 5.077 4.340 -0.002 0.000 0.275 615 L C -0.622 176.279 176.870 0.053 0.000 1.022 615 L CA -0.268 54.569 54.840 -0.004 0.000 0.812 615 L CB 1.689 43.733 42.059 -0.025 0.000 1.257 615 L HN 0.947 nan 8.230 nan 0.000 0.435 616 N N 5.033 123.768 118.700 0.059 0.000 2.480 616 N HA 0.324 5.063 4.740 -0.002 0.000 0.289 616 N C -1.334 174.237 175.510 0.101 0.000 1.073 616 N CA -0.247 52.857 53.050 0.089 0.000 0.885 616 N CB 1.337 39.869 38.487 0.076 0.000 1.421 616 N HN 0.746 nan 8.380 nan 0.000 0.503 617 L N 3.220 124.516 121.223 0.122 0.000 3.393 617 L HA 0.141 4.480 4.340 -0.002 0.000 0.319 617 L C 0.825 177.744 176.870 0.082 0.000 1.309 617 L CA -0.329 54.585 54.840 0.123 0.000 0.962 617 L CB 0.521 42.692 42.059 0.187 0.000 1.391 617 L HN 0.582 nan 8.230 nan 0.000 0.607 618 Q N 0.356 120.203 119.800 0.079 0.000 2.535 618 Q HA 0.101 4.440 4.340 -0.002 0.000 0.228 618 Q C -0.030 175.995 176.000 0.042 0.000 1.062 618 Q CA -0.275 55.571 55.803 0.072 0.000 0.967 618 Q CB 0.369 29.178 28.738 0.118 0.000 1.273 618 Q HN 0.117 nan 8.270 nan 0.000 0.554 619 K N 0.026 120.455 120.400 0.048 0.000 2.948 619 K HA -0.268 4.051 4.320 -0.002 0.000 0.253 619 K C -0.736 175.852 176.600 -0.020 0.000 0.970 619 K CA 0.921 57.202 56.287 -0.010 0.000 0.716 619 K CB -1.639 30.812 32.500 -0.081 0.000 1.249 619 K HN 0.628 nan 8.250 nan 0.000 0.483 620 N N -0.142 118.544 118.700 -0.022 0.000 2.645 620 N HA 0.433 5.172 4.740 -0.002 0.000 0.308 620 N C 0.053 175.537 175.510 -0.043 0.000 1.335 620 N CA -0.418 52.621 53.050 -0.017 0.000 0.909 620 N CB 0.328 38.819 38.487 0.006 0.000 1.109 620 N HN -0.038 nan 8.380 nan 0.000 0.555 621 L N 0.659 121.863 121.223 -0.033 0.000 3.168 621 L HA 0.458 4.796 4.340 -0.002 0.000 0.277 621 L C -0.866 175.975 176.870 -0.048 0.000 1.308 621 L CA 0.063 54.879 54.840 -0.040 0.000 0.976 621 L CB -0.296 41.755 42.059 -0.013 0.000 1.383 621 L HN 0.386 nan 8.230 nan 0.000 0.572 622 I N -0.336 120.178 120.570 -0.093 0.000 2.436 622 I HA 0.071 4.240 4.170 -0.002 0.000 0.289 622 I C 1.298 177.344 176.117 -0.118 0.000 1.083 622 I CA 0.261 61.513 61.300 -0.081 0.000 1.372 622 I CB 1.039 38.989 38.000 -0.085 0.000 1.408 622 I HN 0.301 nan 8.210 nan 0.000 0.516 623 T N 3.355 117.897 114.554 -0.020 0.000 2.755 623 T HA -0.005 4.344 4.350 -0.002 0.000 0.251 623 T C 0.725 175.477 174.700 0.086 0.000 1.044 623 T CA 0.623 62.737 62.100 0.023 0.000 1.154 623 T CB 0.077 68.965 68.868 0.033 0.000 0.866 623 T HN 0.707 nan 8.240 nan 0.000 0.416 624 S N 0.584 116.327 115.700 0.073 0.000 2.566 624 S HA 0.678 5.147 4.470 -0.002 0.000 0.298 624 S C -0.934 173.689 174.600 0.038 0.000 1.083 624 S CA -0.925 57.320 58.200 0.075 0.000 0.978 624 S CB 2.178 65.414 63.200 0.060 0.000 1.073 624 S HN 0.063 nan 8.310 nan 0.000 0.491 625 V N 2.653 122.534 119.914 -0.055 0.000 2.284 625 V HA 0.407 4.525 4.120 -0.002 0.000 0.274 625 V C -0.321 175.801 176.094 0.046 0.000 1.023 625 V CA -0.550 61.583 62.300 -0.279 0.000 0.808 625 V CB 0.527 31.823 31.823 -0.879 0.000 1.035 625 V HN 0.832 nan 8.190 nan 0.000 0.445 626 E N 2.870 123.145 120.200 0.124 0.000 2.280 626 E HA 0.288 4.637 4.350 -0.002 0.000 0.264 626 E C 0.760 177.090 176.600 -0.450 0.000 1.064 626 E CA -0.528 55.826 56.400 -0.077 0.000 0.900 626 E CB 1.903 31.532 29.700 -0.119 0.000 1.123 626 E HN 0.475 nan 8.360 nan 0.000 0.418 627 K N 0.996 120.872 120.400 -0.874 0.000 2.186 627 K HA -0.107 4.212 4.320 -0.002 0.000 0.202 627 K C 0.753 176.917 176.600 -0.727 0.000 1.052 627 K CA 1.251 56.680 56.287 -1.431 0.000 0.965 627 K CB 0.086 31.546 32.500 -1.733 0.000 0.746 627 K HN 0.354 nan 8.250 nan 0.000 0.457 628 D N 0.274 120.372 120.400 -0.502 0.000 2.263 628 D HA -0.146 4.493 4.640 -0.002 0.000 0.208 628 D C 1.673 177.722 176.300 -0.418 0.000 0.971 628 D CA 0.764 54.515 54.000 -0.415 0.000 0.867 628 D CB -0.097 40.354 40.800 -0.582 0.000 0.929 628 D HN 0.061 nan 8.370 nan 0.000 0.492 629 V N -0.794 118.840 119.914 -0.467 0.000 2.484 629 V HA 0.026 4.144 4.120 -0.002 0.000 0.236 629 V C 1.564 177.355 176.094 -0.506 0.000 1.062 629 V CA 0.764 62.738 62.300 -0.543 0.000 1.081 629 V CB -0.426 30.980 31.823 -0.696 0.000 0.751 629 V HN 0.053 nan 8.190 nan 0.000 0.484 630 F N 1.165 120.863 119.950 -0.421 0.000 2.797 630 F HA 0.298 4.824 4.527 -0.001 0.000 0.302 630 F C 2.098 177.370 175.800 -0.879 0.000 1.130 630 F CA 0.569 58.202 58.000 -0.612 0.000 1.387 630 F CB -1.004 37.366 39.000 -1.050 0.000 1.107 630 F HN 0.164 nan 8.300 nan 0.000 0.577 631 G N 1.935 110.386 108.800 -0.583 0.000 2.639 631 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.216 631 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.216 631 G C -0.524 174.345 174.900 -0.051 0.000 1.267 631 G CA 0.861 45.731 45.100 -0.384 0.000 0.801 631 G HN 0.179 nan 8.290 nan 0.000 0.592 632 P HA -0.125 nan 4.420 nan 0.000 0.218 632 P C -1.135 176.232 177.300 0.112 0.000 1.154 632 P CA 2.605 65.747 63.100 0.070 0.000 0.872 632 P CB -0.642 31.095 31.700 0.060 0.000 0.790 633 P HA -0.090 nan 4.420 nan 0.000 0.221 633 P C 1.300 178.770 177.300 0.284 0.000 1.155 633 P CA 1.115 64.288 63.100 0.121 0.000 0.812 633 P CB -0.372 31.306 31.700 -0.038 0.000 0.801 634 F N 1.050 121.002 119.950 0.002 0.000 2.333 634 F HA -0.101 4.425 4.527 -0.002 0.000 0.300 634 F C 2.552 178.509 175.800 0.262 0.000 1.083 634 F CA 0.440 58.444 58.000 0.006 0.000 1.395 634 F CB -1.240 37.521 39.000 -0.399 0.000 1.056 634 F HN -0.068 nan 8.300 nan 0.000 0.529 635 Q N 0.419 120.451 119.800 0.387 0.000 1.943 635 Q HA -0.244 4.095 4.340 -0.002 0.000 0.213 635 Q C 1.147 177.311 176.000 0.275 0.000 1.017 635 Q CA 1.758 57.751 55.803 0.317 0.000 0.874 635 Q CB -0.764 28.100 28.738 0.210 0.000 0.960 635 Q HN 0.396 nan 8.270 nan 0.000 0.417 636 N N 0.465 119.286 118.700 0.201 0.000 2.273 636 N HA 0.101 4.840 4.740 -0.002 0.000 0.231 636 N C -0.018 175.576 175.510 0.141 0.000 1.134 636 N CA -0.151 52.992 53.050 0.154 0.000 0.856 636 N CB 0.303 38.856 38.487 0.110 0.000 1.068 636 N HN 0.090 nan 8.380 nan 0.000 0.510 637 L N 1.323 122.655 121.223 0.182 0.000 2.506 637 L HA -0.016 4.323 4.340 -0.002 0.000 0.281 637 L C 1.372 178.309 176.870 0.112 0.000 1.228 637 L CA 0.771 55.696 54.840 0.142 0.000 0.850 637 L CB 0.290 42.445 42.059 0.160 0.000 1.110 637 L HN 0.137 nan 8.230 nan 0.000 0.496 638 N N -0.178 118.566 118.700 0.074 0.000 2.428 638 N HA 0.058 4.797 4.740 -0.002 0.000 0.181 638 N C -0.760 174.775 175.510 0.043 0.000 1.028 638 N CA 0.599 53.679 53.050 0.052 0.000 0.877 638 N CB 0.344 38.857 38.487 0.043 0.000 1.064 638 N HN 0.715 nan 8.380 nan 0.000 0.434 639 S N 0.723 116.452 115.700 0.049 0.000 2.649 639 S HA 0.420 4.889 4.470 -0.002 0.000 0.274 639 S C -1.165 173.471 174.600 0.060 0.000 1.176 639 S CA -0.948 57.282 58.200 0.050 0.000 0.988 639 S CB 1.639 64.867 63.200 0.048 0.000 1.071 639 S HN 0.181 nan 8.310 nan 0.000 0.478 640 L N 1.881 123.149 121.223 0.075 0.000 2.352 640 L HA 0.930 5.268 4.340 -0.002 0.000 0.269 640 L C -1.187 175.787 176.870 0.172 0.000 1.034 640 L CA 0.065 54.959 54.840 0.090 0.000 0.806 640 L CB 1.747 43.834 42.059 0.047 0.000 1.244 640 L HN 0.909 nan 8.230 nan 0.000 0.447 641 D N 3.838 124.362 120.400 0.207 0.000 2.470 641 D HA 0.323 4.962 4.640 -0.002 0.000 0.233 641 D C -1.058 175.386 176.300 0.239 0.000 1.372 641 D CA -0.049 54.107 54.000 0.260 0.000 0.994 641 D CB 0.821 41.731 40.800 0.182 0.000 1.377 641 D HN 0.610 nan 8.370 nan 0.000 0.586 642 M N 3.679 123.458 119.600 0.300 0.000 3.320 642 M HA 0.171 4.650 4.480 -0.002 0.000 0.414 642 M C 0.123 176.315 176.300 -0.180 0.000 1.553 642 M CA -0.559 54.830 55.300 0.149 0.000 0.742 642 M CB 0.694 33.459 32.600 0.276 0.000 1.434 642 M HN 0.190 nan 8.290 nan 0.000 0.505 643 R N -0.697 119.571 120.500 -0.386 0.000 2.582 643 R HA 0.493 4.832 4.340 -0.002 0.000 0.271 643 R C -0.454 175.681 176.300 -0.275 0.000 1.078 643 R CA -0.210 55.427 56.100 -0.771 0.000 1.127 643 R CB 0.308 30.195 30.300 -0.688 0.000 1.038 643 R HN 0.250 nan 8.270 nan 0.000 0.500 644 F N -2.507 117.280 119.950 -0.271 0.000 2.582 644 F HA -0.256 4.270 4.527 -0.002 0.000 0.350 644 F C -0.502 175.148 175.800 -0.250 0.000 0.615 644 F CA 0.700 58.585 58.000 -0.191 0.000 1.488 644 F CB -2.042 36.860 39.000 -0.164 0.000 1.958 644 F HN 0.653 nan 8.300 nan 0.000 0.294 645 N N 1.216 119.710 118.700 -0.343 0.000 2.493 645 N HA 0.427 5.166 4.740 -0.002 0.000 0.275 645 N C -2.460 172.759 175.510 -0.485 0.000 1.186 645 N CA -1.575 51.185 53.050 -0.483 0.000 0.978 645 N CB 0.443 38.466 38.487 -0.774 0.000 1.184 645 N HN -0.225 nan 8.380 nan 0.000 0.487 646 P HA 0.109 nan 4.420 nan 0.000 0.235 646 P C -0.831 176.428 177.300 -0.068 0.000 1.765 646 P CA -0.038 62.999 63.100 -0.106 0.000 1.034 646 P CB -0.508 31.170 31.700 -0.035 0.000 1.984 647 F N 1.231 121.194 119.950 0.021 0.000 2.572 647 F HA 0.055 4.580 4.527 -0.002 0.000 0.370 647 F C 1.331 177.131 175.800 -0.000 0.000 1.103 647 F CA 0.175 58.178 58.000 0.004 0.000 1.286 647 F CB 0.108 39.119 39.000 0.019 0.000 1.105 647 F HN 0.088 nan 8.300 nan 0.000 0.583 648 D N 2.642 123.159 120.400 0.195 0.000 2.373 648 D HA 0.164 4.803 4.640 -0.002 0.000 0.227 648 D C -0.779 175.474 176.300 -0.078 0.000 1.091 648 D CA -0.383 53.663 54.000 0.076 0.000 0.840 648 D CB 0.627 41.465 40.800 0.064 0.000 1.060 648 D HN 0.485 nan 8.370 nan 0.000 0.502 649 c N 4.708 123.218 118.600 -0.151 0.000 3.247 649 c HA 0.337 4.906 4.570 -0.002 0.000 0.573 649 c C 0.648 174.424 174.090 -0.523 0.000 1.106 649 c CA -0.112 55.870 56.329 -0.579 0.000 1.209 649 c CB -2.382 39.758 42.510 -0.617 0.000 1.460 649 c HN 0.637 nan 8.230 nan 0.000 0.634 650 T N -2.874 111.493 114.554 -0.310 0.000 2.864 650 T HA 0.318 4.667 4.350 -0.002 0.000 0.289 650 T C 0.712 175.429 174.700 0.027 0.000 1.082 650 T CA -0.583 61.507 62.100 -0.016 0.000 1.009 650 T CB 0.914 69.814 68.868 0.054 0.000 1.234 650 T HN 0.323 nan 8.240 nan 0.000 0.526 651 c N -0.471 118.225 118.600 0.160 0.000 2.594 651 c HA 0.276 4.845 4.570 -0.002 0.000 0.265 651 c C 2.269 176.427 174.090 0.114 0.000 1.351 651 c CA -0.045 56.388 56.329 0.172 0.000 1.744 651 c CB -1.575 41.044 42.510 0.181 0.000 1.890 651 c HN 1.035 nan 8.230 nan 0.000 0.551 652 E N 2.007 122.256 120.200 0.081 0.000 2.347 652 E HA -0.116 4.233 4.350 -0.002 0.000 0.196 652 E C 1.876 178.512 176.600 0.061 0.000 1.008 652 E CA 1.413 57.851 56.400 0.064 0.000 0.852 652 E CB 0.291 30.020 29.700 0.048 0.000 0.783 652 E HN 0.865 nan 8.360 nan 0.000 0.505 653 S N 0.229 115.962 115.700 0.056 0.000 3.036 653 S HA -0.017 4.452 4.470 -0.002 0.000 0.194 653 S C 1.682 176.329 174.600 0.080 0.000 0.797 653 S CA 0.154 58.386 58.200 0.053 0.000 0.822 653 S CB -0.384 62.833 63.200 0.029 0.000 0.810 653 S HN 0.249 nan 8.310 nan 0.000 0.629 654 I N 2.062 122.632 120.570 0.001 0.000 3.428 654 I HA 0.297 4.466 4.170 -0.002 0.000 0.286 654 I C 1.736 177.926 176.117 0.121 0.000 1.287 654 I CA -0.072 61.244 61.300 0.026 0.000 1.396 654 I CB -2.025 35.830 38.000 -0.241 0.000 1.062 654 I HN 0.212 nan 8.210 nan 0.000 0.471 655 S N 1.339 117.133 115.700 0.156 0.000 2.392 655 S HA -0.277 4.191 4.470 -0.002 0.000 0.225 655 S C 1.522 176.258 174.600 0.227 0.000 1.041 655 S CA 2.392 60.731 58.200 0.233 0.000 1.100 655 S CB -0.806 62.529 63.200 0.224 0.000 1.029 655 S HN 0.818 nan 8.310 nan 0.000 0.424 656 W N 1.067 122.444 121.300 0.129 0.000 2.342 656 W HA -0.166 4.494 4.660 -0.001 0.000 0.297 656 W C 1.863 178.516 176.519 0.223 0.000 1.213 656 W CA 1.278 58.707 57.345 0.140 0.000 1.251 656 W CB -0.492 29.025 29.460 0.094 0.000 1.136 656 W HN 0.301 nan 8.180 nan 0.000 0.526 657 F N 0.507 120.510 119.950 0.089 0.000 2.074 657 F HA -0.174 4.352 4.527 -0.002 0.000 0.293 657 F C 2.311 178.057 175.800 -0.090 0.000 1.116 657 F CA 2.325 60.303 58.000 -0.036 0.000 1.212 657 F CB -1.140 37.915 39.000 0.093 0.000 0.998 657 F HN -0.247 nan 8.300 nan 0.000 0.471 658 V N 1.386 121.224 119.914 -0.128 0.000 2.363 658 V HA -0.418 3.700 4.120 -0.002 0.000 0.254 658 V C 2.320 178.265 176.094 -0.249 0.000 1.074 658 V CA 2.212 64.377 62.300 -0.224 0.000 1.069 658 V CB -1.048 30.789 31.823 0.023 0.000 0.659 658 V HN 0.417 nan 8.190 nan 0.000 0.455 659 N N -1.162 117.418 118.700 -0.200 0.000 2.039 659 N HA -0.223 4.516 4.740 -0.002 0.000 0.193 659 N C 1.540 176.877 175.510 -0.288 0.000 1.044 659 N CA 1.892 54.811 53.050 -0.219 0.000 0.847 659 N CB -0.492 37.881 38.487 -0.191 0.000 1.030 659 N HN 0.677 nan 8.380 nan 0.000 0.422 660 W N 2.578 123.526 121.300 -0.585 0.000 2.305 660 W HA -0.162 4.497 4.660 -0.001 0.000 0.308 660 W C 1.989 178.246 176.519 -0.435 0.000 1.226 660 W CA 1.170 58.197 57.345 -0.530 0.000 1.253 660 W CB -0.311 28.760 29.460 -0.647 0.000 1.146 660 W HN -0.022 nan 8.180 nan 0.000 0.507 661 I N 0.653 120.951 120.570 -0.454 0.000 2.127 661 I HA -0.356 3.813 4.170 -0.002 0.000 0.241 661 I C 2.427 178.241 176.117 -0.505 0.000 1.075 661 I CA 1.974 62.935 61.300 -0.566 0.000 1.334 661 I CB -1.851 35.798 38.000 -0.584 0.000 1.040 661 I HN 0.176 nan 8.210 nan 0.000 0.405 662 N N 1.536 120.002 118.700 -0.389 0.000 2.149 662 N HA -0.221 4.518 4.740 -0.002 0.000 0.188 662 N C 1.510 176.799 175.510 -0.369 0.000 1.019 662 N CA 1.492 54.351 53.050 -0.319 0.000 0.857 662 N CB 0.073 38.424 38.487 -0.227 0.000 0.997 662 N HN 0.661 nan 8.380 nan 0.000 0.426 663 Q N -0.862 118.692 119.800 -0.410 0.000 2.189 663 Q HA 0.200 4.539 4.340 -0.002 0.000 0.221 663 Q C -0.242 175.427 176.000 -0.553 0.000 0.848 663 Q CA -0.275 55.281 55.803 -0.411 0.000 1.007 663 Q CB 0.381 28.961 28.738 -0.264 0.000 1.116 663 Q HN -0.079 nan 8.270 nan 0.000 0.481 664 T N -0.484 113.598 114.554 -0.787 0.000 2.916 664 T HA 0.297 4.646 4.350 -0.002 0.000 0.292 664 T C -0.915 173.322 174.700 -0.771 0.000 1.055 664 T CA -0.539 61.037 62.100 -0.873 0.000 1.009 664 T CB 1.392 69.296 68.868 -1.607 0.000 1.118 664 T HN 0.304 nan 8.240 nan 0.000 0.497 665 H N 2.237 121.067 119.070 -0.399 0.000 2.502 665 H HA 0.298 4.853 4.556 -0.002 0.000 0.268 665 H C -0.089 175.101 175.328 -0.230 0.000 1.177 665 H CA -0.212 55.668 56.048 -0.279 0.000 0.961 665 H CB 0.011 29.665 29.762 -0.180 0.000 1.737 665 H HN 0.456 nan 8.280 nan 0.000 0.569 666 T N 1.524 115.947 114.554 -0.218 0.000 2.729 666 T HA -0.003 4.346 4.350 -0.002 0.000 0.296 666 T C 0.875 175.520 174.700 -0.093 0.000 0.928 666 T CA -0.553 61.483 62.100 -0.106 0.000 1.045 666 T CB 0.778 69.621 68.868 -0.042 0.000 0.902 666 T HN 0.302 nan 8.240 nan 0.000 0.500 667 N N 3.742 122.420 118.700 -0.035 0.000 2.315 667 N HA -0.026 4.713 4.740 -0.002 0.000 0.270 667 N C -0.780 174.721 175.510 -0.014 0.000 1.329 667 N CA 0.506 53.539 53.050 -0.027 0.000 0.860 667 N CB 0.089 38.572 38.487 -0.006 0.000 1.095 667 N HN 0.581 nan 8.380 nan 0.000 0.487 668 I N 2.142 122.687 120.570 -0.041 0.000 2.466 668 I HA 0.030 4.199 4.170 -0.002 0.000 0.279 668 I C 0.408 176.522 176.117 -0.005 0.000 1.033 668 I CA -0.490 60.801 61.300 -0.016 0.000 1.123 668 I CB 1.360 39.296 38.000 -0.107 0.000 1.237 668 I HN 0.351 nan 8.210 nan 0.000 0.460 669 S N 4.096 119.843 115.700 0.078 0.000 2.573 669 S HA 0.060 4.529 4.470 -0.002 0.000 0.277 669 S C 0.868 175.567 174.600 0.164 0.000 1.346 669 S CA 0.347 58.607 58.200 0.100 0.000 1.034 669 S CB 0.257 63.532 63.200 0.125 0.000 0.879 669 S HN 0.741 nan 8.310 nan 0.000 0.528 670 E N 0.540 120.810 120.200 0.117 0.000 2.551 670 E HA -0.247 4.102 4.350 -0.002 0.000 0.251 670 E C 0.582 177.270 176.600 0.147 0.000 1.210 670 E CA 0.590 57.062 56.400 0.120 0.000 0.725 670 E CB -1.322 28.515 29.700 0.228 0.000 1.290 670 E HN 0.585 nan 8.360 nan 0.000 0.413 671 L N -0.368 120.827 121.223 -0.047 0.000 2.187 671 L HA -0.201 4.138 4.340 -0.002 0.000 0.213 671 L C 1.791 178.575 176.870 -0.144 0.000 1.100 671 L CA 2.442 57.065 54.840 -0.361 0.000 0.765 671 L CB -0.176 41.610 42.059 -0.455 0.000 0.904 671 L HN 0.208 nan 8.230 nan 0.000 0.437 672 S N -1.508 114.134 115.700 -0.097 0.000 2.368 672 S HA -0.109 4.360 4.470 -0.002 0.000 0.224 672 S C 1.617 176.153 174.600 -0.106 0.000 1.029 672 S CA 1.639 59.779 58.200 -0.099 0.000 0.988 672 S CB -0.552 62.588 63.200 -0.100 0.000 0.838 672 S HN 0.674 nan 8.310 nan 0.000 0.462 673 T N 0.061 114.515 114.554 -0.166 0.000 3.087 673 T HA 0.111 4.460 4.350 -0.002 0.000 0.237 673 T C 0.839 175.368 174.700 -0.285 0.000 0.990 673 T CA 0.247 62.168 62.100 -0.297 0.000 1.160 673 T CB -0.344 68.191 68.868 -0.554 0.000 0.923 673 T HN 0.351 nan 8.240 nan 0.000 0.442 674 H N 0.301 119.316 119.070 -0.090 0.000 2.708 674 H HA 0.285 4.840 4.556 -0.002 0.000 0.309 674 H C -0.529 174.592 175.328 -0.344 0.000 1.084 674 H CA -0.230 55.578 56.048 -0.400 0.000 1.165 674 H CB -0.499 28.717 29.762 -0.910 0.000 1.388 674 H HN 0.430 nan 8.280 nan 0.000 0.553 675 Y N 0.142 120.442 120.300 -0.000 0.000 2.715 675 Y HA 0.191 4.740 4.550 -0.002 0.000 0.255 675 Y C 0.774 176.794 175.900 0.199 0.000 1.139 675 Y CA -0.408 57.806 58.100 0.191 0.000 1.151 675 Y CB 0.404 38.915 38.460 0.085 0.000 1.201 675 Y HN 0.047 nan 8.280 nan 0.000 0.556 676 L N -0.523 120.823 121.223 0.207 0.000 2.483 676 L HA 0.006 4.345 4.340 -0.002 0.000 0.277 676 L C 0.404 177.418 176.870 0.240 0.000 1.248 676 L CA -0.041 54.883 54.840 0.141 0.000 0.825 676 L CB 0.185 42.244 42.059 -0.000 0.000 1.096 676 L HN 0.141 nan 8.230 nan 0.000 0.512 677 c N 0.847 119.550 118.600 0.170 0.000 2.364 677 c HA 0.182 4.751 4.570 -0.002 0.000 0.356 677 c C 1.409 175.577 174.090 0.129 0.000 1.201 677 c CA -0.343 56.108 56.329 0.204 0.000 2.227 677 c CB 1.071 43.692 42.510 0.184 0.000 2.387 677 c HN 0.904 nan 8.230 nan 0.000 0.546 678 N N -0.171 118.644 118.700 0.191 0.000 2.227 678 N HA 0.122 4.861 4.740 -0.002 0.000 0.196 678 N C -0.125 175.584 175.510 0.332 0.000 1.142 678 N CA 0.464 53.666 53.050 0.254 0.000 0.887 678 N CB 0.527 39.126 38.487 0.186 0.000 1.022 678 N HN 0.813 nan 8.380 nan 0.000 0.500 679 T N -1.069 113.641 114.554 0.261 0.000 2.957 679 T HA 0.464 4.813 4.350 -0.002 0.000 0.336 679 T C -3.131 171.706 174.700 0.229 0.000 1.462 679 T CA -1.345 60.901 62.100 0.244 0.000 1.073 679 T CB 1.512 70.487 68.868 0.178 0.000 1.319 679 T HN -0.243 nan 8.240 nan 0.000 0.485 680 P HA 0.432 nan 4.420 nan 0.000 0.306 680 P C 0.560 178.042 177.300 0.303 0.000 1.309 680 P CA -0.295 62.963 63.100 0.264 0.000 0.759 680 P CB 0.359 32.200 31.700 0.236 0.000 1.314 681 H N -0.756 118.388 119.070 0.123 0.000 2.297 681 H HA -0.238 4.317 4.556 -0.002 0.000 0.289 681 H C 1.715 177.072 175.328 0.048 0.000 1.105 681 H CA 2.262 58.338 56.048 0.048 0.000 1.219 681 H CB -0.815 28.906 29.762 -0.068 0.000 1.351 681 H HN 0.522 nan 8.280 nan 0.000 0.481 682 H N -2.326 116.794 119.070 0.083 0.000 2.521 682 H HA -0.084 4.470 4.556 -0.002 0.000 0.286 682 H C 0.752 175.884 175.328 -0.325 0.000 1.034 682 H CA 1.026 56.986 56.048 -0.146 0.000 1.278 682 H CB 0.235 29.831 29.762 -0.276 0.000 1.386 682 H HN 0.379 nan 8.280 nan 0.000 0.567 683 Y N -1.351 119.022 120.300 0.122 0.000 2.507 683 Y HA 0.071 4.620 4.550 -0.002 0.000 0.254 683 Y C -0.191 175.855 175.900 0.243 0.000 1.171 683 Y CA -0.802 57.337 58.100 0.065 0.000 1.238 683 Y CB -0.226 38.280 38.460 0.076 0.000 1.148 683 Y HN 0.144 nan 8.280 nan 0.000 0.525 684 Y N 0.661 121.107 120.300 0.244 0.000 2.497 684 Y HA 0.372 4.921 4.550 -0.002 0.000 0.334 684 Y C 1.411 177.467 175.900 0.260 0.000 1.199 684 Y CA 0.498 58.714 58.100 0.194 0.000 1.425 684 Y CB 0.653 39.137 38.460 0.040 0.000 1.291 684 Y HN 0.353 nan 8.280 nan 0.000 0.562 685 G N 4.650 113.135 108.800 -0.525 0.000 2.258 685 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.274 685 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.274 685 G C -0.501 174.383 174.900 -0.027 0.000 1.021 685 G CA 0.169 45.050 45.100 -0.366 0.000 0.798 685 G HN 0.535 nan 8.290 nan 0.000 0.507 686 F N 0.594 120.545 119.950 0.002 0.000 2.415 686 F HA 0.508 5.034 4.527 -0.002 0.000 0.348 686 F C -1.777 174.065 175.800 0.071 0.000 1.119 686 F CA -2.556 55.500 58.000 0.094 0.000 1.069 686 F CB 1.804 40.958 39.000 0.257 0.000 1.124 686 F HN -0.156 nan 8.300 nan 0.000 0.472 687 P HA -0.110 nan 4.420 nan 0.000 0.256 687 P C 0.819 178.176 177.300 0.096 0.000 1.173 687 P CA 0.326 63.440 63.100 0.024 0.000 0.768 687 P CB 0.371 32.036 31.700 -0.057 0.000 0.758 688 L N 6.438 127.689 121.223 0.046 0.000 2.051 688 L HA -0.265 4.074 4.340 -0.002 0.000 0.214 688 L C 2.236 179.071 176.870 -0.057 0.000 1.076 688 L CA 2.073 56.877 54.840 -0.061 0.000 0.758 688 L CB -0.877 41.043 42.059 -0.232 0.000 0.890 688 L HN 0.335 nan 8.230 nan 0.000 0.433 689 K N -0.336 120.012 120.400 -0.087 0.000 2.044 689 K HA -0.191 4.128 4.320 -0.002 0.000 0.210 689 K C 1.153 177.747 176.600 -0.010 0.000 1.049 689 K CA 1.727 57.946 56.287 -0.113 0.000 0.927 689 K CB -0.880 31.529 32.500 -0.151 0.000 0.713 689 K HN 0.402 nan 8.250 nan 0.000 0.443 690 L N 1.875 123.137 121.223 0.066 0.000 2.672 690 L HA 0.215 4.554 4.340 -0.002 0.000 0.238 690 L C -0.537 176.486 176.870 0.255 0.000 1.392 690 L CA -0.465 54.451 54.840 0.128 0.000 1.238 690 L CB -0.562 41.580 42.059 0.139 0.000 1.548 690 L HN 0.169 nan 8.230 nan 0.000 0.423 691 F N 2.354 122.309 119.950 0.008 0.000 2.430 691 F HA 0.234 4.760 4.527 -0.002 0.000 0.362 691 F C 0.380 176.158 175.800 -0.037 0.000 1.103 691 F CA -1.378 56.611 58.000 -0.018 0.000 1.045 691 F CB 0.813 39.745 39.000 -0.112 0.000 1.276 691 F HN 0.247 nan 8.300 nan 0.000 0.444 692 D N 3.644 123.805 120.400 -0.398 0.000 2.349 692 D HA -0.034 4.605 4.640 -0.002 0.000 0.266 692 D C 0.737 176.715 176.300 -0.536 0.000 1.293 692 D CA -0.091 53.699 54.000 -0.349 0.000 0.926 692 D CB 1.023 41.687 40.800 -0.227 0.000 1.090 692 D HN 0.600 nan 8.370 nan 0.000 0.502 693 T N -1.045 113.326 114.554 -0.304 0.000 3.278 693 T HA 0.012 4.361 4.350 -0.002 0.000 0.251 693 T C 1.406 176.034 174.700 -0.120 0.000 1.039 693 T CA -0.092 61.893 62.100 -0.191 0.000 0.935 693 T CB -0.359 68.507 68.868 -0.004 0.000 1.034 693 T HN 0.335 nan 8.240 nan 0.000 0.575 694 S N 0.211 115.826 115.700 -0.142 0.000 2.522 694 S HA 0.052 4.520 4.470 -0.002 0.000 0.227 694 S C 1.805 176.361 174.600 -0.073 0.000 0.986 694 S CA 0.406 58.553 58.200 -0.089 0.000 0.929 694 S CB -0.235 62.914 63.200 -0.086 0.000 0.769 694 S HN 0.421 nan 8.310 nan 0.000 0.529 695 S N -0.412 115.232 115.700 -0.093 0.000 2.539 695 S HA 0.388 4.856 4.470 -0.002 0.000 0.221 695 S C 0.397 174.981 174.600 -0.026 0.000 0.987 695 S CA -0.426 57.739 58.200 -0.058 0.000 0.929 695 S CB -0.547 62.612 63.200 -0.068 0.000 0.832 695 S HN 0.693 nan 8.310 nan 0.000 0.492 696 c N 1.373 119.961 118.600 -0.018 0.000 2.967 696 c HA 0.896 5.465 4.570 -0.002 0.000 0.372 696 c C -0.338 173.773 174.090 0.035 0.000 1.455 696 c CA -0.998 55.346 56.329 0.024 0.000 1.638 696 c CB 1.180 43.727 42.510 0.062 0.000 2.096 696 c HN 0.784 nan 8.230 nan 0.000 0.466 697 K N 0.000 120.434 120.400 0.057 0.000 2.780 697 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 697 K CA 0.000 56.325 56.287 0.064 0.000 0.838 697 K CB 0.000 32.538 32.500 0.064 0.000 1.064 697 K HN 0.000 nan 8.250 nan 0.000 0.543