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 2wxn_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.100 176.094 0.010 0.000 1.182 109 V CA 0.000 62.304 62.300 0.007 0.000 1.235 109 V CB 0.000 31.826 31.823 0.005 0.000 1.184 110 K N 2.065 122.472 120.400 0.012 0.000 2.160 110 K HA -0.231 4.292 4.320 0.338 0.000 0.206 110 K C 1.714 178.326 176.600 0.021 0.000 1.047 110 K CA 2.701 58.998 56.287 0.016 0.000 0.930 110 K CB -0.250 32.261 32.500 0.017 0.000 0.720 110 K HN 0.423 nan 8.250 nan 0.000 0.450 111 K N 0.258 120.670 120.400 0.019 0.000 2.002 111 K HA -0.084 4.439 4.320 0.338 0.000 0.209 111 K C 1.981 178.593 176.600 0.020 0.000 1.048 111 K CA 1.503 57.803 56.287 0.021 0.000 0.930 111 K CB -0.578 31.931 32.500 0.016 0.000 0.714 111 K HN 0.188 nan 8.250 nan 0.000 0.438 112 L N 0.923 122.155 121.223 0.014 0.000 1.978 112 L HA -0.242 4.301 4.340 0.338 0.000 0.218 112 L C 2.291 179.169 176.870 0.013 0.000 1.075 112 L CA 1.905 56.752 54.840 0.012 0.000 0.767 112 L CB -0.393 41.671 42.059 0.007 0.000 0.890 112 L HN 0.330 nan 8.230 nan 0.000 0.434 113 I N -0.683 119.895 120.570 0.013 0.000 2.091 113 I HA -0.382 3.991 4.170 0.338 0.000 0.239 113 I C 2.227 178.359 176.117 0.024 0.000 1.061 113 I CA 1.583 62.891 61.300 0.014 0.000 1.317 113 I CB -0.706 37.302 38.000 0.014 0.000 1.031 113 I HN 0.419 nan 8.210 nan 0.000 0.401 114 N N 1.038 119.757 118.700 0.033 0.000 2.096 114 N HA -0.209 4.734 4.740 0.338 0.000 0.195 114 N C 1.983 177.517 175.510 0.040 0.000 1.017 114 N CA 2.180 55.257 53.050 0.045 0.000 0.870 114 N CB -0.508 38.008 38.487 0.049 0.000 1.024 114 N HN 0.488 nan 8.380 nan 0.000 0.434 115 S N 0.175 115.894 115.700 0.032 0.000 2.414 115 S HA -0.034 4.639 4.470 0.338 0.000 0.227 115 S C 1.801 176.415 174.600 0.023 0.000 1.022 115 S CA 0.497 58.715 58.200 0.029 0.000 0.958 115 S CB -0.287 62.928 63.200 0.025 0.000 0.797 115 S HN 0.337 nan 8.310 nan 0.000 0.493 116 Q N 0.887 120.698 119.800 0.017 0.000 2.119 116 Q HA 0.069 4.612 4.340 0.338 0.000 0.201 116 Q C 2.190 178.200 176.000 0.015 0.000 0.972 116 Q CA 1.472 57.281 55.803 0.010 0.000 0.847 116 Q CB -0.503 28.234 28.738 -0.002 0.000 0.903 116 Q HN 0.598 nan 8.270 nan 0.000 0.433 117 I N 0.392 120.978 120.570 0.027 0.000 2.226 117 I HA -0.281 4.092 4.170 0.338 0.000 0.245 117 I C 2.284 178.432 176.117 0.051 0.000 1.100 117 I CA 0.914 62.243 61.300 0.048 0.000 1.374 117 I CB -0.267 37.776 38.000 0.072 0.000 1.057 117 I HN 0.090 nan 8.210 nan 0.000 0.413 118 S N 0.750 116.470 115.700 0.033 0.000 2.370 118 S HA -0.185 4.488 4.470 0.338 0.000 0.226 118 S C 1.920 176.529 174.600 0.015 0.000 1.033 118 S CA 1.363 59.566 58.200 0.004 0.000 1.011 118 S CB -0.347 62.848 63.200 -0.009 0.000 0.852 118 S HN 0.282 nan 8.310 nan 0.000 0.457 119 L N 1.011 122.250 121.223 0.026 0.000 2.109 119 L HA 0.086 4.629 4.340 0.338 0.000 0.207 119 L C 2.013 178.913 176.870 0.050 0.000 1.086 119 L CA 1.124 55.983 54.840 0.033 0.000 0.760 119 L CB -0.500 41.575 42.059 0.027 0.000 0.910 119 L HN 0.251 nan 8.230 nan 0.000 0.437 120 L N 0.018 121.273 121.223 0.053 0.000 2.046 120 L HA -0.157 4.386 4.340 0.338 0.000 0.208 120 L C 2.154 179.103 176.870 0.130 0.000 1.077 120 L CA 2.185 57.073 54.840 0.079 0.000 0.747 120 L CB -0.506 41.579 42.059 0.044 0.000 0.896 120 L HN 0.459 nan 8.230 nan 0.000 0.432 121 I N -4.189 116.448 120.570 0.111 0.000 3.793 121 I HA 0.357 4.730 4.170 0.338 0.000 0.315 121 I C 1.426 177.581 176.117 0.063 0.000 1.275 121 I CA 0.565 61.925 61.300 0.100 0.000 1.214 121 I CB -0.675 37.406 38.000 0.135 0.000 1.018 121 I HN 0.334 nan 8.210 nan 0.000 0.439 122 G N 2.254 111.087 108.800 0.056 0.000 2.179 122 G HA2 -0.346 3.817 3.960 0.338 0.000 0.257 122 G HA3 -0.346 3.817 3.960 0.338 0.000 0.257 122 G C 0.061 174.968 174.900 0.011 0.000 1.010 122 G CA 0.793 45.919 45.100 0.044 0.000 0.736 122 G HN 0.740 nan 8.290 nan 0.000 0.513 123 K N -0.654 119.729 120.400 -0.028 0.000 2.527 123 K HA 0.618 5.141 4.320 0.338 0.000 0.260 123 K C 0.282 176.740 176.600 -0.236 0.000 0.937 123 K CA -0.267 55.945 56.287 -0.125 0.000 0.826 123 K CB 1.171 33.608 32.500 -0.107 0.000 1.359 123 K HN 0.575 nan 8.250 nan 0.000 0.434 124 G N 2.810 111.367 108.800 -0.405 0.000 2.377 124 G HA2 0.292 4.455 3.960 0.338 0.000 0.299 124 G HA3 0.292 4.455 3.960 0.338 0.000 0.299 124 G C 0.692 175.122 174.900 -0.784 0.000 1.150 124 G CA -0.746 44.046 45.100 -0.513 0.000 0.847 124 G HN 0.639 nan 8.290 nan 0.000 0.501 125 L N 1.112 122.054 121.223 -0.469 0.000 2.191 125 L HA -0.130 4.413 4.340 0.338 0.000 0.212 125 L C 2.655 179.330 176.870 -0.326 0.000 1.103 125 L CA 1.555 56.155 54.840 -0.399 0.000 0.769 125 L CB -0.584 41.469 42.059 -0.010 0.000 0.908 125 L HN 0.905 nan 8.230 nan 0.000 0.438 126 H N -0.645 118.318 119.070 -0.178 0.000 2.387 126 H HA -0.155 4.604 4.556 0.338 0.000 0.299 126 H C 1.735 176.988 175.328 -0.125 0.000 1.099 126 H CA 1.294 57.281 56.048 -0.101 0.000 1.315 126 H CB -0.566 29.154 29.762 -0.069 0.000 1.380 126 H HN 0.380 nan 8.280 nan 0.000 0.513 127 E N 0.159 120.029 120.200 -0.551 0.000 2.333 127 E HA -0.104 4.449 4.350 0.338 0.000 0.198 127 E C 0.979 177.499 176.600 -0.133 0.000 1.007 127 E CA 0.663 56.858 56.400 -0.341 0.000 0.845 127 E CB -0.116 29.304 29.700 -0.467 0.000 0.766 127 E HN 0.499 nan 8.360 nan 0.000 0.507 128 F N 1.751 121.672 119.950 -0.047 0.000 2.234 128 F HA -0.075 4.656 4.527 0.339 0.000 0.296 128 F C 1.953 177.761 175.800 0.012 0.000 1.089 128 F CA 0.617 58.609 58.000 -0.013 0.000 1.343 128 F CB -0.569 38.432 39.000 0.002 0.000 1.040 128 F HN -0.047 nan 8.300 nan 0.000 0.498 129 D N -0.617 119.899 120.400 0.193 0.000 2.103 129 D HA -0.128 4.715 4.640 0.338 0.000 0.199 129 D C 2.273 178.632 176.300 0.099 0.000 0.978 129 D CA 1.309 55.389 54.000 0.133 0.000 0.829 129 D CB -0.843 40.025 40.800 0.113 0.000 0.981 129 D HN 0.108 nan 8.370 nan 0.000 0.464 130 S N 0.622 116.373 115.700 0.085 0.000 2.421 130 S HA -0.165 4.508 4.470 0.338 0.000 0.239 130 S C 2.094 176.726 174.600 0.054 0.000 1.054 130 S CA 0.731 58.969 58.200 0.063 0.000 1.035 130 S CB -0.344 62.889 63.200 0.054 0.000 0.840 130 S HN 0.272 nan 8.310 nan 0.000 0.475 131 L N 0.419 121.683 121.223 0.067 0.000 2.217 131 L HA 0.055 4.598 4.340 0.338 0.000 0.211 131 L C 0.722 177.625 176.870 0.055 0.000 1.107 131 L CA 0.435 55.307 54.840 0.055 0.000 0.783 131 L CB -0.353 41.745 42.059 0.065 0.000 0.919 131 L HN 0.204 nan 8.230 nan 0.000 0.442 132 R N 0.542 121.081 120.500 0.064 0.000 3.422 132 R HA -0.182 4.361 4.340 0.338 0.000 0.267 132 R C -0.542 175.797 176.300 0.066 0.000 1.074 132 R CA 0.515 56.653 56.100 0.063 0.000 0.718 132 R CB -2.629 27.704 30.300 0.055 0.000 1.157 132 R HN 0.325 nan 8.270 nan 0.000 0.440 133 D N 0.469 120.907 120.400 0.064 0.000 2.453 133 D HA 0.299 5.142 4.640 0.338 0.000 0.238 133 D C -1.175 175.154 176.300 0.049 0.000 1.088 133 D CA -2.311 51.722 54.000 0.055 0.000 0.854 133 D CB 1.293 42.113 40.800 0.033 0.000 1.076 133 D HN -0.052 nan 8.370 nan 0.000 0.533 134 P HA -0.076 nan 4.420 nan 0.000 0.229 134 P C 1.037 178.358 177.300 0.036 0.000 1.160 134 P CA 0.512 63.673 63.100 0.102 0.000 0.777 134 P CB 0.609 32.414 31.700 0.175 0.000 0.814 135 E N 0.219 120.333 120.200 -0.143 0.000 2.072 135 E HA -0.086 4.467 4.350 0.338 0.000 0.191 135 E C 1.892 178.362 176.600 -0.216 0.000 0.985 135 E CA 0.862 56.939 56.400 -0.539 0.000 0.801 135 E CB -0.142 29.074 29.700 -0.807 0.000 0.750 135 E HN -0.033 nan 8.360 nan 0.000 0.452 136 V N 1.947 121.785 119.914 -0.127 0.000 2.407 136 V HA -0.254 4.069 4.120 0.338 0.000 0.248 136 V C 1.948 178.054 176.094 0.020 0.000 1.055 136 V CA 1.789 64.040 62.300 -0.082 0.000 1.049 136 V CB -0.615 31.159 31.823 -0.082 0.000 0.662 136 V HN 0.261 nan 8.190 nan 0.000 0.455 137 N N 0.475 119.196 118.700 0.036 0.000 2.058 137 N HA -0.151 4.792 4.740 0.338 0.000 0.191 137 N C 1.580 177.141 175.510 0.084 0.000 1.037 137 N CA 1.739 54.832 53.050 0.071 0.000 0.848 137 N CB -0.509 38.025 38.487 0.078 0.000 1.021 137 N HN 0.457 nan 8.380 nan 0.000 0.422 138 D N 0.002 120.454 120.400 0.086 0.000 2.097 138 D HA -0.140 4.703 4.640 0.338 0.000 0.195 138 D C 1.807 178.159 176.300 0.086 0.000 0.989 138 D CA 0.541 54.599 54.000 0.097 0.000 0.827 138 D CB -0.601 40.288 40.800 0.149 0.000 0.966 138 D HN 0.201 nan 8.370 nan 0.000 0.456 139 F N 2.081 121.999 119.950 -0.054 0.000 2.065 139 F HA -0.253 4.477 4.527 0.338 0.000 0.298 139 F C 2.438 178.214 175.800 -0.040 0.000 1.112 139 F CA 1.737 59.702 58.000 -0.058 0.000 1.212 139 F CB 0.014 38.953 39.000 -0.101 0.000 0.975 139 F HN -0.194 nan 8.300 nan 0.000 0.476 140 R N -0.515 120.115 120.500 0.217 0.000 2.127 140 R HA -0.140 4.403 4.340 0.338 0.000 0.238 140 R C 2.011 178.329 176.300 0.030 0.000 1.134 140 R CA 1.890 58.060 56.100 0.116 0.000 0.975 140 R CB -0.816 29.549 30.300 0.109 0.000 0.865 140 R HN 0.363 nan 8.270 nan 0.000 0.447 141 T N 0.685 115.255 114.554 0.027 0.000 2.668 141 T HA -0.098 4.455 4.350 0.338 0.000 0.258 141 T C 1.724 176.418 174.700 -0.011 0.000 1.051 141 T CA 1.030 63.143 62.100 0.021 0.000 1.155 141 T CB -0.141 68.751 68.868 0.040 0.000 0.864 141 T HN 0.084 nan 8.240 nan 0.000 0.413 142 K N 0.667 121.041 120.400 -0.043 0.000 2.044 142 K HA -0.029 4.494 4.320 0.338 0.000 0.210 142 K C 2.305 178.853 176.600 -0.087 0.000 1.049 142 K CA 1.339 57.589 56.287 -0.061 0.000 0.927 142 K CB -0.230 32.213 32.500 -0.094 0.000 0.713 142 K HN 0.121 nan 8.250 nan 0.000 0.443 143 M N 0.015 119.477 119.600 -0.230 0.000 2.175 143 M HA -0.089 4.594 4.480 0.338 0.000 0.264 143 M C 2.176 178.472 176.300 -0.006 0.000 1.063 143 M CA 1.467 56.641 55.300 -0.211 0.000 1.119 143 M CB -0.874 31.398 32.600 -0.547 0.000 1.377 143 M HN 0.193 nan 8.290 nan 0.000 0.415 144 R N 0.314 120.809 120.500 -0.008 0.000 2.083 144 R HA -0.209 4.334 4.340 0.338 0.000 0.237 144 R C 2.240 178.564 176.300 0.040 0.000 1.137 144 R CA 1.961 58.079 56.100 0.030 0.000 0.951 144 R CB -0.233 30.086 30.300 0.031 0.000 0.851 144 R HN 0.432 nan 8.270 nan 0.000 0.434 145 Q N -0.489 119.339 119.800 0.047 0.000 1.975 145 Q HA -0.233 4.310 4.340 0.338 0.000 0.205 145 Q C 1.924 177.964 176.000 0.068 0.000 0.990 145 Q CA 2.259 58.091 55.803 0.048 0.000 0.845 145 Q CB -0.323 28.447 28.738 0.053 0.000 0.913 145 Q HN 0.401 nan 8.270 nan 0.000 0.420 146 F N 0.507 120.430 119.950 -0.045 0.000 2.063 146 F HA -0.365 4.365 4.527 0.338 0.000 0.298 146 F C 2.225 178.004 175.800 -0.035 0.000 1.109 146 F CA 1.822 59.799 58.000 -0.039 0.000 1.212 146 F CB -0.661 38.306 39.000 -0.055 0.000 0.973 146 F HN 0.235 nan 8.300 nan 0.000 0.480 147 C N 0.528 119.862 119.300 0.056 0.000 2.429 147 C HA -0.159 4.504 4.460 0.338 0.000 0.277 147 C C 2.660 177.569 174.990 -0.135 0.000 1.262 147 C CA 1.376 60.358 59.018 -0.061 0.000 1.733 147 C CB -1.237 26.533 27.740 0.051 0.000 2.010 147 C HN 0.554 nan 8.230 nan 0.000 0.483 148 E N 0.746 120.896 120.200 -0.083 0.000 2.110 148 E HA -0.193 4.360 4.350 0.338 0.000 0.193 148 E C 2.067 178.599 176.600 -0.113 0.000 0.988 148 E CA 1.208 57.558 56.400 -0.084 0.000 0.804 148 E CB -0.239 29.434 29.700 -0.045 0.000 0.745 148 E HN 0.732 nan 8.360 nan 0.000 0.458 149 E N 0.837 120.952 120.200 -0.141 0.000 2.204 149 E HA -0.177 4.376 4.350 0.338 0.000 0.195 149 E C 2.055 178.542 176.600 -0.188 0.000 0.990 149 E CA 0.925 57.234 56.400 -0.152 0.000 0.821 149 E CB -0.172 29.429 29.700 -0.165 0.000 0.750 149 E HN 0.206 nan 8.360 nan 0.000 0.477 150 A N 1.770 124.416 122.820 -0.291 0.000 1.929 150 A HA 0.076 4.599 4.320 0.338 0.000 0.216 150 A C 2.431 179.907 177.584 -0.180 0.000 1.176 150 A CA 1.326 53.201 52.037 -0.270 0.000 0.628 150 A CB -0.397 18.395 19.000 -0.346 0.000 0.816 150 A HN 0.297 nan 8.150 nan 0.000 0.444 151 A N -0.194 122.529 122.820 -0.161 0.000 1.968 151 A HA 0.296 4.819 4.320 0.338 0.000 0.217 151 A C 2.421 179.949 177.584 -0.094 0.000 1.169 151 A CA 1.579 53.532 52.037 -0.140 0.000 0.638 151 A CB -0.823 18.101 19.000 -0.127 0.000 0.812 151 A HN 0.915 nan 8.150 nan 0.000 0.446 152 A N -0.650 122.124 122.820 -0.076 0.000 1.865 152 A HA -0.277 4.246 4.320 0.338 0.000 0.217 152 A C 2.166 179.732 177.584 -0.031 0.000 1.191 152 A CA 1.975 53.977 52.037 -0.058 0.000 0.623 152 A CB -1.023 17.942 19.000 -0.059 0.000 0.826 152 A HN 0.676 nan 8.150 nan 0.000 0.444 153 H N 0.000 118.996 119.070 -0.124 0.000 2.352 153 H HA -0.115 4.644 4.556 0.338 0.000 0.299 153 H C 2.200 177.458 175.328 -0.117 0.000 1.097 153 H CA 2.038 58.018 56.048 -0.114 0.000 1.311 153 H CB -0.250 29.438 29.762 -0.124 0.000 1.377 153 H HN 0.529 nan 8.280 nan 0.000 0.504 154 R N -0.002 120.538 120.500 0.066 0.000 2.096 154 R HA -0.083 4.460 4.340 0.338 0.000 0.235 154 R C 1.950 178.244 176.300 -0.010 0.000 1.127 154 R CA 1.240 57.316 56.100 -0.039 0.000 0.968 154 R CB 0.175 30.324 30.300 -0.252 0.000 0.861 154 R HN 0.270 nan 8.270 nan 0.000 0.440 155 Q N 0.238 120.007 119.800 -0.052 0.000 2.482 155 Q HA -0.098 4.445 4.340 0.338 0.000 0.209 155 Q C 1.065 177.013 176.000 -0.085 0.000 0.961 155 Q CA 0.853 56.600 55.803 -0.094 0.000 0.945 155 Q CB 0.634 29.307 28.738 -0.109 0.000 1.012 155 Q HN 0.683 nan 8.270 nan 0.000 0.515 156 Q N -0.851 118.915 119.800 -0.056 0.000 2.317 156 Q HA 0.211 4.754 4.340 0.338 0.000 0.220 156 Q C 0.403 176.384 176.000 -0.032 0.000 0.873 156 Q CA -0.245 55.518 55.803 -0.067 0.000 0.936 156 Q CB 0.173 28.846 28.738 -0.109 0.000 1.105 156 Q HN 0.186 nan 8.270 nan 0.000 0.520 157 L N 2.920 124.162 121.223 0.031 0.000 2.653 157 L HA -0.051 4.492 4.340 0.338 0.000 0.288 157 L C 0.992 177.888 176.870 0.043 0.000 1.243 157 L CA 0.401 55.282 54.840 0.070 0.000 0.906 157 L CB -0.107 42.035 42.059 0.137 0.000 1.154 157 L HN 0.280 nan 8.230 nan 0.000 0.498 158 G N 3.500 112.303 108.800 0.006 0.000 2.630 158 G HA2 -0.108 4.055 3.960 0.338 0.000 0.236 158 G HA3 -0.108 4.055 3.960 0.338 0.000 0.236 158 G C 0.874 175.771 174.900 -0.005 0.000 1.248 158 G CA -0.113 44.969 45.100 -0.030 0.000 0.844 158 G HN 1.049 nan 8.290 nan 0.000 0.588 159 W N 0.761 122.036 121.300 -0.040 0.000 2.358 159 W HA -0.141 4.722 4.660 0.338 0.000 0.303 159 W C 1.364 177.871 176.519 -0.020 0.000 1.208 159 W CA 1.321 58.644 57.345 -0.037 0.000 1.274 159 W CB -1.302 28.086 29.460 -0.120 0.000 1.138 159 W HN 0.213 nan 8.180 nan 0.000 0.515 160 V N 1.930 121.279 119.914 -0.942 0.000 2.407 160 V HA -0.278 4.045 4.120 0.338 0.000 0.248 160 V C 2.447 178.308 176.094 -0.388 0.000 1.055 160 V CA 2.418 64.211 62.300 -0.845 0.000 1.049 160 V CB -0.937 30.252 31.823 -1.056 0.000 0.662 160 V HN 0.145 nan 8.190 nan 0.000 0.455 161 E N -0.675 119.383 120.200 -0.237 0.000 2.107 161 E HA -0.207 4.346 4.350 0.338 0.000 0.191 161 E C 1.987 178.575 176.600 -0.019 0.000 0.982 161 E CA 1.228 57.570 56.400 -0.097 0.000 0.809 161 E CB -0.217 29.458 29.700 -0.041 0.000 0.756 161 E HN 0.797 nan 8.360 nan 0.000 0.459 162 W N 1.750 122.976 121.300 -0.124 0.000 2.338 162 W HA -0.195 4.668 4.660 0.338 0.000 0.304 162 W C 1.479 177.946 176.519 -0.086 0.000 1.212 162 W CA 1.100 58.398 57.345 -0.078 0.000 1.264 162 W CB -0.272 29.146 29.460 -0.070 0.000 1.142 162 W HN 0.075 nan 8.180 nan 0.000 0.512 163 L N 0.760 121.884 121.223 -0.165 0.000 2.083 163 L HA -0.262 4.281 4.340 0.338 0.000 0.209 163 L C 2.700 179.409 176.870 -0.269 0.000 1.083 163 L CA 1.650 56.307 54.840 -0.305 0.000 0.752 163 L CB -0.849 40.923 42.059 -0.479 0.000 0.899 163 L HN 0.052 nan 8.230 nan 0.000 0.433 164 Q N -1.431 118.261 119.800 -0.181 0.000 2.291 164 Q HA -0.234 4.309 4.340 0.338 0.000 0.205 164 Q C 1.884 177.793 176.000 -0.151 0.000 0.970 164 Q CA 1.481 57.270 55.803 -0.023 0.000 0.876 164 Q CB -0.107 28.647 28.738 0.028 0.000 0.935 164 Q HN 0.544 nan 8.270 nan 0.000 0.455 165 Y N -0.235 119.823 120.300 -0.403 0.000 2.206 165 Y HA -0.104 4.649 4.550 0.338 0.000 0.292 165 Y C 2.394 177.904 175.900 -0.650 0.000 1.123 165 Y CA 1.510 59.318 58.100 -0.487 0.000 1.142 165 Y CB -0.226 37.891 38.460 -0.571 0.000 1.006 165 Y HN 0.029 nan 8.280 nan 0.000 0.518 166 S N -0.960 114.007 115.700 -1.222 0.000 2.468 166 S HA 0.135 4.808 4.470 0.338 0.000 0.226 166 S C -0.024 173.785 174.600 -1.319 0.000 1.051 166 S CA -0.097 57.105 58.200 -1.664 0.000 0.943 166 S CB -0.373 61.596 63.200 -2.052 0.000 0.810 166 S HN 0.198 nan 8.310 nan 0.000 0.509 167 F N 2.803 122.517 119.950 -0.392 0.000 2.523 167 F HA 0.575 5.305 4.527 0.338 0.000 0.322 167 F C -2.830 172.958 175.800 -0.020 0.000 1.361 167 F CA -3.069 54.849 58.000 -0.137 0.000 1.151 167 F CB 0.411 39.431 39.000 0.034 0.000 1.391 167 F HN 0.022 nan 8.300 nan 0.000 0.566 168 P HA 0.058 nan 4.420 nan 0.000 0.269 168 P C 0.188 177.501 177.300 0.021 0.000 1.215 168 P CA -0.169 62.937 63.100 0.010 0.000 0.780 168 P CB 0.952 32.589 31.700 -0.105 0.000 0.898 169 L N 2.326 123.529 121.223 -0.034 0.000 2.485 169 L HA 0.038 4.581 4.340 0.338 0.000 0.275 169 L C 0.972 177.798 176.870 -0.073 0.000 1.207 169 L CA 0.480 55.248 54.840 -0.120 0.000 0.855 169 L CB -0.162 41.748 42.059 -0.247 0.000 1.114 169 L HN 0.304 nan 8.230 nan 0.000 0.485 170 Q N 5.174 124.965 119.800 -0.015 0.000 2.462 170 Q HA 0.504 5.047 4.340 0.338 0.000 0.247 170 Q C -1.083 174.934 176.000 0.028 0.000 1.044 170 Q CA -0.268 55.536 55.803 0.001 0.000 0.803 170 Q CB 1.689 30.443 28.738 0.028 0.000 1.190 170 Q HN 0.524 nan 8.270 nan 0.000 0.507 171 L N 0.908 122.091 121.223 -0.067 0.000 2.322 171 L HA 0.451 4.994 4.340 0.338 0.000 0.269 171 L C 0.453 177.266 176.870 -0.095 0.000 1.012 171 L CA -1.156 53.593 54.840 -0.151 0.000 0.815 171 L CB 1.525 43.407 42.059 -0.295 0.000 1.295 171 L HN 0.380 nan 8.230 nan 0.000 0.438 172 E N 1.677 121.811 120.200 -0.110 0.000 2.360 172 E HA 0.218 4.771 4.350 0.338 0.000 0.269 172 E C -1.922 174.612 176.600 -0.110 0.000 1.022 172 E CA -1.268 55.083 56.400 -0.082 0.000 0.887 172 E CB 0.433 30.083 29.700 -0.083 0.000 0.990 172 E HN 0.327 nan 8.360 nan 0.000 0.426 188 R N 1.048 121.550 120.500 0.004 0.000 2.725 188 R HA 0.756 5.299 4.340 0.338 0.000 0.277 188 R C -1.750 174.552 176.300 0.003 0.000 0.987 188 R CA -0.346 55.755 56.100 0.003 0.000 0.901 188 R CB 1.867 32.166 30.300 -0.002 0.000 1.207 188 R HN 0.278 nan 8.270 nan 0.000 0.463 189 A N 4.365 127.187 122.820 0.004 0.000 2.310 189 A HA 0.648 5.171 4.320 0.338 0.000 0.299 189 A C -0.468 177.119 177.584 0.004 0.000 1.147 189 A CA -0.615 51.427 52.037 0.008 0.000 0.818 189 A CB 0.526 19.533 19.000 0.012 0.000 1.096 189 A HN 0.660 nan 8.150 nan 0.000 0.495 190 L N 0.152 121.380 121.223 0.009 0.000 2.409 190 L HA 0.855 5.398 4.340 0.338 0.000 0.255 190 L C -1.577 175.301 176.870 0.013 0.000 1.027 190 L CA -0.943 53.898 54.840 0.002 0.000 0.834 190 L CB 1.654 43.707 42.059 -0.011 0.000 1.426 190 L HN 0.523 nan 8.230 nan 0.000 0.411 191 L N 2.346 123.569 121.223 0.000 0.000 2.307 191 L HA 0.768 5.311 4.340 0.338 0.000 0.284 191 L C -0.795 176.063 176.870 -0.020 0.000 1.023 191 L CA -0.887 53.954 54.840 0.002 0.000 0.810 191 L CB 1.992 44.046 42.059 -0.009 0.000 1.231 191 L HN 0.455 nan 8.230 nan 0.000 0.423 192 V N 3.212 123.128 119.914 0.004 0.000 2.709 192 V HA 0.292 4.615 4.120 0.338 0.000 0.308 192 V C -0.501 175.578 176.094 -0.026 0.000 1.062 192 V CA -0.694 61.595 62.300 -0.018 0.000 0.901 192 V CB 2.371 34.224 31.823 0.050 0.000 1.003 192 V HN 0.778 nan 8.190 nan 0.000 0.425 193 N N 3.504 122.099 118.700 -0.176 0.000 2.426 193 N HA 0.609 5.552 4.740 0.338 0.000 0.275 193 N C -1.075 174.445 175.510 0.016 0.000 1.019 193 N CA -0.296 52.680 53.050 -0.122 0.000 0.941 193 N CB 1.519 39.822 38.487 -0.308 0.000 1.123 193 N HN 0.418 nan 8.380 nan 0.000 0.486 194 V N 2.665 122.670 119.914 0.152 0.000 2.919 194 V HA 0.595 4.918 4.120 0.338 0.000 0.316 194 V C -0.357 175.835 176.094 0.164 0.000 1.077 194 V CA -0.733 61.662 62.300 0.159 0.000 0.977 194 V CB 1.901 33.862 31.823 0.230 0.000 1.039 194 V HN 0.777 nan 8.190 nan 0.000 0.441 195 K N 1.012 121.448 120.400 0.060 0.000 2.579 195 K HA 0.644 5.167 4.320 0.338 0.000 0.284 195 K C -1.799 174.794 176.600 -0.011 0.000 0.990 195 K CA -0.814 55.526 56.287 0.088 0.000 0.880 195 K CB 1.730 34.239 32.500 0.015 0.000 1.488 195 K HN 0.321 nan 8.250 nan 0.000 0.425 196 F N 0.957 120.930 119.950 0.038 0.000 2.457 196 F HA 0.303 5.033 4.527 0.338 0.000 0.330 196 F C 1.946 177.758 175.800 0.020 0.000 1.069 196 F CA -0.560 57.466 58.000 0.042 0.000 1.009 196 F CB 1.620 40.638 39.000 0.030 0.000 1.276 196 F HN 0.802 nan 8.300 nan 0.000 0.492 197 E N 1.064 121.388 120.200 0.206 0.000 2.001 197 E HA -0.098 4.455 4.350 0.338 0.000 0.195 197 E C 1.781 178.434 176.600 0.089 0.000 1.002 197 E CA 1.143 57.612 56.400 0.115 0.000 0.819 197 E CB -0.403 29.364 29.700 0.113 0.000 0.769 197 E HN 0.791 nan 8.360 nan 0.000 0.454 198 G N 0.137 108.991 108.800 0.090 0.000 3.340 198 G HA2 0.070 4.233 3.960 0.338 0.000 0.240 198 G HA3 0.070 4.233 3.960 0.338 0.000 0.240 198 G C -0.207 174.710 174.900 0.028 0.000 1.327 198 G CA 0.284 45.413 45.100 0.049 0.000 1.170 198 G HN 0.099 nan 8.290 nan 0.000 0.520 199 S N -1.353 114.367 115.700 0.034 0.000 2.570 199 S HA 0.375 5.048 4.470 0.338 0.000 0.270 199 S C 0.136 174.734 174.600 -0.003 0.000 1.149 199 S CA -0.637 57.564 58.200 0.002 0.000 0.837 199 S CB 1.550 64.727 63.200 -0.039 0.000 1.124 199 S HN 0.196 nan 8.310 nan 0.000 0.465 200 E N 0.583 120.767 120.200 -0.027 0.000 2.481 200 E HA 0.144 4.697 4.350 0.338 0.000 0.198 200 E C -0.567 175.982 176.600 -0.086 0.000 1.027 200 E CA 0.067 56.443 56.400 -0.040 0.000 0.900 200 E CB 0.477 30.160 29.700 -0.028 0.000 0.993 200 E HN 0.560 nan 8.360 nan 0.000 0.482 201 E N 1.471 121.594 120.200 -0.127 0.000 2.259 201 E HA 0.156 4.709 4.350 0.338 0.000 0.281 201 E C -0.511 175.805 176.600 -0.473 0.000 1.037 201 E CA -0.281 55.968 56.400 -0.251 0.000 0.854 201 E CB 1.225 30.794 29.700 -0.218 0.000 1.051 201 E HN -0.002 nan 8.360 nan 0.000 0.409 202 S N 2.194 117.565 115.700 -0.548 0.000 2.599 202 S HA 0.733 5.406 4.470 0.338 0.000 0.294 202 S C -0.905 173.238 174.600 -0.761 0.000 1.094 202 S CA -0.943 56.884 58.200 -0.623 0.000 0.931 202 S CB 0.820 63.896 63.200 -0.207 0.000 1.093 202 S HN 0.299 nan 8.310 nan 0.000 0.488 203 F N -0.132 119.804 119.950 -0.023 0.000 2.561 203 F HA 0.632 5.362 4.527 0.339 0.000 0.321 203 F C 0.247 175.884 175.800 -0.272 0.000 1.065 203 F CA -0.822 57.052 58.000 -0.210 0.000 0.934 203 F CB 2.271 41.072 39.000 -0.331 0.000 1.215 203 F HN 0.500 nan 8.300 nan 0.000 0.471 204 T N 2.809 117.236 114.554 -0.212 0.000 2.842 204 T HA 0.489 5.042 4.350 0.338 0.000 0.308 204 T C -0.897 173.640 174.700 -0.271 0.000 1.041 204 T CA -0.391 61.610 62.100 -0.166 0.000 0.964 204 T CB -0.174 68.638 68.868 -0.093 0.000 0.972 204 T HN 0.194 nan 8.240 nan 0.000 0.460 205 F N 2.005 121.984 119.950 0.049 0.000 2.385 205 F HA 0.410 5.140 4.527 0.338 0.000 0.336 205 F C 0.941 176.746 175.800 0.009 0.000 1.100 205 F CA -0.929 57.087 58.000 0.028 0.000 1.116 205 F CB 1.067 40.080 39.000 0.022 0.000 1.166 205 F HN 0.322 nan 8.300 nan 0.000 0.511 206 Q N 3.313 123.225 119.800 0.187 0.000 2.274 206 Q HA 0.600 5.143 4.340 0.338 0.000 0.256 206 Q C -1.001 175.062 176.000 0.106 0.000 0.927 206 Q CA -0.531 55.336 55.803 0.107 0.000 0.939 206 Q CB 1.373 30.152 28.738 0.068 0.000 1.201 206 Q HN 0.695 nan 8.270 nan 0.000 0.426 207 V N -0.218 119.739 119.914 0.071 0.000 3.156 207 V HA 0.671 4.994 4.120 0.338 0.000 0.310 207 V C -0.632 175.479 176.094 0.028 0.000 1.234 207 V CA -1.059 61.269 62.300 0.047 0.000 1.065 207 V CB 1.659 33.505 31.823 0.038 0.000 1.088 207 V HN 0.638 nan 8.190 nan 0.000 0.451 208 S N -0.063 115.648 115.700 0.019 0.000 2.508 208 S HA 0.399 5.072 4.470 0.338 0.000 0.284 208 S C 1.345 175.950 174.600 0.009 0.000 1.192 208 S CA 0.242 58.449 58.200 0.011 0.000 1.070 208 S CB 1.260 64.463 63.200 0.006 0.000 1.004 208 S HN 1.377 nan 8.310 nan 0.000 0.493 209 T N 2.454 117.011 114.554 0.005 0.000 2.869 209 T HA -0.201 4.352 4.350 0.338 0.000 0.270 209 T C 1.534 176.225 174.700 -0.015 0.000 1.082 209 T CA 1.564 63.666 62.100 0.003 0.000 1.123 209 T CB -0.443 68.425 68.868 -0.001 0.000 0.856 209 T HN 0.811 nan 8.240 nan 0.000 0.499 210 K N 1.074 121.462 120.400 -0.020 0.000 2.228 210 K HA 0.004 4.527 4.320 0.338 0.000 0.202 210 K C 0.139 176.714 176.600 -0.042 0.000 1.051 210 K CA 0.560 56.819 56.287 -0.046 0.000 0.960 210 K CB -0.252 32.230 32.500 -0.031 0.000 0.743 210 K HN 0.250 nan 8.250 nan 0.000 0.458 211 D N 2.394 122.788 120.400 -0.011 0.000 2.455 211 D HA 0.004 4.847 4.640 0.338 0.000 0.241 211 D C 0.572 176.890 176.300 0.031 0.000 1.138 211 D CA 0.522 54.525 54.000 0.004 0.000 0.877 211 D CB 0.609 41.414 40.800 0.009 0.000 1.187 211 D HN 0.071 nan 8.370 nan 0.000 0.451 212 M N 2.955 122.578 119.600 0.038 0.000 2.245 212 M HA 0.071 4.754 4.480 0.338 0.000 0.330 212 M C -1.333 175.036 176.300 0.114 0.000 1.098 212 M CA -1.585 53.772 55.300 0.094 0.000 1.172 212 M CB -0.250 32.394 32.600 0.072 0.000 1.467 212 M HN 0.018 nan 8.290 nan 0.000 0.454 213 P HA -0.183 nan 4.420 nan 0.000 0.217 213 P C 1.673 179.019 177.300 0.078 0.000 1.151 213 P CA 1.105 64.280 63.100 0.124 0.000 0.849 213 P CB -0.055 31.742 31.700 0.161 0.000 0.787 214 L N -0.724 120.556 121.223 0.095 0.000 2.079 214 L HA -0.142 4.401 4.340 0.338 0.000 0.210 214 L C 2.203 179.081 176.870 0.015 0.000 1.081 214 L CA 2.014 56.896 54.840 0.070 0.000 0.752 214 L CB -1.285 40.824 42.059 0.083 0.000 0.896 214 L HN -0.107 nan 8.230 nan 0.000 0.433 215 A N -0.599 122.223 122.820 0.004 0.000 1.902 215 A HA -0.188 4.335 4.320 0.338 0.000 0.217 215 A C 2.322 179.847 177.584 -0.098 0.000 1.181 215 A CA 1.945 53.961 52.037 -0.035 0.000 0.623 215 A CB -0.877 18.110 19.000 -0.021 0.000 0.818 215 A HN 0.495 nan 8.150 nan 0.000 0.443 216 L N -1.006 120.161 121.223 -0.092 0.000 2.017 216 L HA -0.216 4.327 4.340 0.338 0.000 0.208 216 L C 2.845 179.573 176.870 -0.236 0.000 1.073 216 L CA 1.736 56.475 54.840 -0.169 0.000 0.745 216 L CB -0.283 41.725 42.059 -0.086 0.000 0.894 216 L HN 0.445 nan 8.230 nan 0.000 0.432 217 M N -1.276 118.240 119.600 -0.140 0.000 2.213 217 M HA -0.205 4.478 4.480 0.338 0.000 0.263 217 M C 2.289 178.486 176.300 -0.172 0.000 1.062 217 M CA 1.683 56.890 55.300 -0.155 0.000 1.105 217 M CB -0.461 32.105 32.600 -0.058 0.000 1.385 217 M HN 0.351 nan 8.290 nan 0.000 0.417 218 A N -0.645 122.090 122.820 -0.141 0.000 1.929 218 A HA -0.143 4.380 4.320 0.338 0.000 0.216 218 A C 2.289 179.746 177.584 -0.213 0.000 1.176 218 A CA 1.229 53.190 52.037 -0.127 0.000 0.628 218 A CB -1.120 17.833 19.000 -0.077 0.000 0.816 218 A HN 0.558 nan 8.150 nan 0.000 0.444 219 C N -1.068 118.009 119.300 -0.371 0.000 2.413 219 C HA -0.028 4.635 4.460 0.338 0.000 0.278 219 C C 3.326 177.877 174.990 -0.732 0.000 1.224 219 C CA 1.141 59.755 59.018 -0.674 0.000 1.732 219 C CB -1.268 25.712 27.740 -1.267 0.000 2.050 219 C HN 0.707 nan 8.230 nan 0.000 0.463 220 A N 0.043 122.426 122.820 -0.728 0.000 1.869 220 A HA -0.236 4.287 4.320 0.338 0.000 0.218 220 A C 2.071 179.637 177.584 -0.029 0.000 1.203 220 A CA 2.185 54.093 52.037 -0.214 0.000 0.638 220 A CB -0.877 18.063 19.000 -0.101 0.000 0.831 220 A HN 0.642 nan 8.150 nan 0.000 0.450 221 L N -1.140 120.059 121.223 -0.040 0.000 2.093 221 L HA -0.187 4.356 4.340 0.338 0.000 0.208 221 L C 2.881 179.712 176.870 -0.064 0.000 1.085 221 L CA 1.365 56.203 54.840 -0.004 0.000 0.755 221 L CB -0.438 41.609 42.059 -0.020 0.000 0.904 221 L HN 0.371 nan 8.230 nan 0.000 0.435 222 R N -0.286 120.166 120.500 -0.080 0.000 2.083 222 R HA -0.153 4.390 4.340 0.338 0.000 0.237 222 R C 2.302 178.566 176.300 -0.061 0.000 1.137 222 R CA 0.968 57.034 56.100 -0.056 0.000 0.951 222 R CB -0.360 29.911 30.300 -0.049 0.000 0.851 222 R HN 0.191 nan 8.270 nan 0.000 0.434 223 K N 1.358 121.715 120.400 -0.073 0.000 2.057 223 K HA -0.162 4.361 4.320 0.338 0.000 0.207 223 K C 1.991 178.368 176.600 -0.371 0.000 1.049 223 K CA 1.245 57.403 56.287 -0.215 0.000 0.931 223 K CB -0.206 32.097 32.500 -0.329 0.000 0.714 223 K HN 0.147 nan 8.250 nan 0.000 0.440 224 K N 0.461 120.631 120.400 -0.383 0.000 2.002 224 K HA -0.098 4.425 4.320 0.338 0.000 0.209 224 K C 1.861 178.395 176.600 -0.109 0.000 1.048 224 K CA 1.470 57.570 56.287 -0.312 0.000 0.930 224 K CB -0.151 32.073 32.500 -0.461 0.000 0.714 224 K HN 0.048 nan 8.250 nan 0.000 0.438 225 A N 0.667 123.442 122.820 -0.075 0.000 2.178 225 A HA -0.102 4.421 4.320 0.338 0.000 0.218 225 A C 1.891 179.487 177.584 0.019 0.000 1.157 225 A CA 1.949 53.985 52.037 -0.002 0.000 0.689 225 A CB -0.635 18.360 19.000 -0.008 0.000 0.787 225 A HN 0.697 nan 8.150 nan 0.000 0.465 226 T N -3.322 111.234 114.554 0.003 0.000 2.988 226 T HA 0.011 4.564 4.350 0.338 0.000 0.240 226 T C 1.645 176.379 174.700 0.058 0.000 1.014 226 T CA 0.987 63.099 62.100 0.020 0.000 1.155 226 T CB -0.779 68.093 68.868 0.006 0.000 0.872 226 T HN 0.050 nan 8.240 nan 0.000 0.440 227 V N 0.445 120.411 119.914 0.086 0.000 2.490 227 V HA -0.001 4.322 4.120 0.338 0.000 0.250 227 V C 1.965 178.207 176.094 0.247 0.000 1.061 227 V CA 1.359 63.757 62.300 0.163 0.000 1.064 227 V CB -0.940 31.026 31.823 0.240 0.000 0.670 227 V HN 0.353 nan 8.190 nan 0.000 0.461 228 F N 0.348 120.287 119.950 -0.017 0.000 2.664 228 F HA 0.385 5.115 4.527 0.338 0.000 0.303 228 F C 1.326 177.107 175.800 -0.033 0.000 1.092 228 F CA -0.726 57.256 58.000 -0.031 0.000 1.305 228 F CB -0.279 38.684 39.000 -0.062 0.000 1.054 228 F HN 0.081 nan 8.300 nan 0.000 0.565 229 R N 1.209 121.744 120.500 0.058 0.000 3.405 229 R HA -0.300 4.243 4.340 0.338 0.000 0.258 229 R C 0.362 176.663 176.300 0.001 0.000 1.030 229 R CA 0.883 56.986 56.100 0.003 0.000 0.691 229 R CB -2.091 28.188 30.300 -0.035 0.000 1.093 229 R HN 0.618 nan 8.270 nan 0.000 0.448 236 P HA -0.175 nan 4.420 nan 0.000 0.215 236 P C 0.218 177.698 177.300 0.300 0.000 1.157 236 P CA 1.317 64.531 63.100 0.190 0.000 0.874 236 P CB 0.421 32.182 31.700 0.101 0.000 0.790 237 E N -0.463 119.885 120.200 0.247 0.000 2.515 237 E HA -0.127 4.426 4.350 0.338 0.000 0.201 237 E C 1.466 178.273 176.600 0.344 0.000 1.071 237 E CA 0.534 57.100 56.400 0.277 0.000 0.880 237 E CB -0.731 29.094 29.700 0.209 0.000 0.828 237 E HN 0.383 nan 8.360 nan 0.000 0.540 238 E N -0.388 119.952 120.200 0.235 0.000 2.511 238 E HA -0.037 4.516 4.350 0.338 0.000 0.196 238 E C -0.397 175.843 176.600 -0.600 0.000 1.066 238 E CA 0.450 56.743 56.400 -0.179 0.000 0.871 238 E CB 0.142 29.730 29.700 -0.185 0.000 0.863 238 E HN 0.346 nan 8.360 nan 0.000 0.520 239 Y N -0.585 119.722 120.300 0.012 0.000 2.536 239 Y HA 0.537 5.290 4.550 0.338 0.000 0.347 239 Y C 0.021 176.051 175.900 0.216 0.000 1.000 239 Y CA -0.963 57.149 58.100 0.020 0.000 1.051 239 Y CB 1.902 40.397 38.460 0.058 0.000 1.259 239 Y HN -0.190 nan 8.280 nan 0.000 0.468 240 A N 2.205 125.251 122.820 0.377 0.000 2.423 240 A HA 0.845 5.368 4.320 0.338 0.000 0.304 240 A C -1.800 175.991 177.584 0.345 0.000 1.104 240 A CA -0.808 51.476 52.037 0.411 0.000 0.757 240 A CB 1.157 20.414 19.000 0.429 0.000 1.313 240 A HN 0.731 nan 8.150 nan 0.000 0.423 241 L N 1.453 122.837 121.223 0.269 0.000 2.272 241 L HA 0.412 4.955 4.340 0.338 0.000 0.289 241 L C 0.414 177.225 176.870 -0.098 0.000 1.032 241 L CA -0.168 54.711 54.840 0.065 0.000 0.810 241 L CB 1.535 43.588 42.059 -0.010 0.000 1.205 241 L HN 0.833 nan 8.230 nan 0.000 0.422 242 Q N 2.184 121.789 119.800 -0.325 0.000 2.243 242 Q HA 0.363 4.906 4.340 0.338 0.000 0.252 242 Q C -0.924 174.794 176.000 -0.470 0.000 0.909 242 Q CA -0.781 54.572 55.803 -0.749 0.000 0.922 242 Q CB 1.845 30.127 28.738 -0.761 0.000 1.215 242 Q HN 0.413 nan 8.270 nan 0.000 0.427 243 V N 4.555 124.151 119.914 -0.530 0.000 2.521 243 V HA -0.000 4.323 4.120 0.338 0.000 0.286 243 V C 0.102 175.969 176.094 -0.379 0.000 1.034 243 V CA -0.475 61.519 62.300 -0.511 0.000 1.045 243 V CB 0.422 31.812 31.823 -0.722 0.000 0.974 243 V HN 0.754 nan 8.190 nan 0.000 0.480 244 N N 3.930 122.482 118.700 -0.246 0.000 2.411 244 N HA 0.188 5.131 4.740 0.338 0.000 0.261 244 N C 1.290 176.699 175.510 -0.168 0.000 1.248 244 N CA 1.266 54.218 53.050 -0.163 0.000 0.885 244 N CB 0.619 39.062 38.487 -0.073 0.000 1.062 244 N HN 1.099 nan 8.380 nan 0.000 0.471 245 G N 1.400 110.110 108.800 -0.150 0.000 2.155 245 G HA2 -0.322 3.841 3.960 0.338 0.000 0.257 245 G HA3 -0.322 3.841 3.960 0.338 0.000 0.257 245 G C -0.009 174.787 174.900 -0.173 0.000 0.983 245 G CA 0.274 45.293 45.100 -0.135 0.000 0.676 245 G HN 0.635 nan 8.290 nan 0.000 0.528 246 R N -1.285 119.086 120.500 -0.215 0.000 2.837 246 R HA 0.484 5.027 4.340 0.338 0.000 0.271 246 R C -0.606 175.590 176.300 -0.172 0.000 0.993 246 R CA -0.972 55.000 56.100 -0.212 0.000 0.931 246 R CB 1.095 31.265 30.300 -0.215 0.000 1.206 246 R HN 0.385 nan 8.270 nan 0.000 0.474 247 H N 0.874 119.870 119.070 -0.122 0.000 2.970 247 H HA 0.104 4.863 4.556 0.339 0.000 0.226 247 H C -0.539 174.750 175.328 -0.064 0.000 1.909 247 H CA 0.088 56.080 56.048 -0.093 0.000 1.388 247 H CB 0.238 30.102 29.762 0.170 0.000 1.773 247 H HN 0.286 nan 8.280 nan 0.000 0.559 248 E N 1.690 121.809 120.200 -0.136 0.000 2.304 248 E HA 0.241 4.794 4.350 0.338 0.000 0.277 248 E C -1.627 174.810 176.600 -0.272 0.000 0.898 248 E CA -0.760 55.580 56.400 -0.100 0.000 0.764 248 E CB 1.586 31.194 29.700 -0.153 0.000 1.216 248 E HN 0.317 nan 8.360 nan 0.000 0.419 249 Y N 2.227 122.490 120.300 -0.061 0.000 2.512 249 Y HA 0.466 5.219 4.550 0.338 0.000 0.348 249 Y C -0.763 175.067 175.900 -0.116 0.000 0.990 249 Y CA -0.866 57.238 58.100 0.008 0.000 1.033 249 Y CB 1.560 40.170 38.460 0.250 0.000 1.259 249 Y HN 0.400 nan 8.280 nan 0.000 0.461 250 L N 4.739 125.935 121.223 -0.045 0.000 2.298 250 L HA 0.491 5.034 4.340 0.338 0.000 0.284 250 L C -1.077 175.769 176.870 -0.040 0.000 1.013 250 L CA -0.724 53.825 54.840 -0.486 0.000 0.824 250 L CB 0.192 41.827 42.059 -0.707 0.000 1.221 250 L HN 0.602 nan 8.230 nan 0.000 0.418 251 Y N 1.153 121.452 120.300 -0.002 0.000 2.705 251 Y HA 0.923 5.676 4.550 0.338 0.000 0.332 251 Y C 0.260 176.404 175.900 0.407 0.000 1.221 251 Y CA -1.215 56.999 58.100 0.190 0.000 1.059 251 Y CB 1.060 39.622 38.460 0.171 0.000 1.298 251 Y HN 0.790 nan 8.280 nan 0.000 0.459 252 G N 0.999 110.116 108.800 0.529 0.000 2.663 252 G HA2 -0.152 4.011 3.960 0.338 0.000 0.686 252 G HA3 -0.152 4.011 3.960 0.338 0.000 0.686 252 G C -1.592 173.509 174.900 0.335 0.000 1.288 252 G CA -0.822 44.565 45.100 0.479 0.000 0.836 252 G HN 0.870 nan 8.290 nan 0.000 0.584 253 N N 0.987 119.679 118.700 -0.014 0.000 3.124 253 N HA 0.427 5.370 4.740 0.338 0.000 0.284 253 N C -0.990 174.285 175.510 -0.391 0.000 1.209 253 N CA 0.466 53.423 53.050 -0.156 0.000 1.149 253 N CB -0.210 38.146 38.487 -0.218 0.000 1.434 253 N HN 0.452 nan 8.380 nan 0.000 0.529 254 Y N -0.368 119.931 120.300 -0.003 0.000 2.504 254 Y HA 0.383 5.136 4.550 0.339 0.000 0.344 254 Y C -2.235 173.526 175.900 -0.231 0.000 1.023 254 Y CA -2.465 55.526 58.100 -0.182 0.000 1.020 254 Y CB 1.901 40.105 38.460 -0.427 0.000 1.282 254 Y HN 0.154 nan 8.280 nan 0.000 0.454 255 P HA 0.085 nan 4.420 nan 0.000 0.266 255 P C 0.780 178.026 177.300 -0.090 0.000 1.195 255 P CA 0.127 63.062 63.100 -0.275 0.000 0.768 255 P CB 0.839 32.192 31.700 -0.578 0.000 0.838 256 L N 2.632 123.915 121.223 0.101 0.000 2.034 256 L HA -0.310 4.233 4.340 0.338 0.000 0.217 256 L C 2.384 179.389 176.870 0.226 0.000 1.077 256 L CA 2.243 57.245 54.840 0.271 0.000 0.769 256 L CB -1.152 41.000 42.059 0.155 0.000 0.890 256 L HN 0.545 nan 8.230 nan 0.000 0.435 257 C N -2.395 116.951 119.300 0.076 0.000 2.443 257 C HA -0.123 4.540 4.460 0.338 0.000 0.290 257 C C 2.201 177.286 174.990 0.158 0.000 1.476 257 C CA 0.206 59.278 59.018 0.090 0.000 1.772 257 C CB -1.939 25.837 27.740 0.060 0.000 1.714 257 C HN 0.493 nan 8.230 nan 0.000 0.562 258 H N -1.371 117.641 119.070 -0.096 0.000 2.512 258 H HA 0.188 4.947 4.556 0.338 0.000 0.279 258 H C 0.100 175.245 175.328 -0.305 0.000 0.999 258 H CA 0.035 55.949 56.048 -0.224 0.000 1.283 258 H CB 0.019 29.597 29.762 -0.306 0.000 1.421 258 H HN 0.436 nan 8.280 nan 0.000 0.554 259 F N 1.603 121.599 119.950 0.077 0.000 2.456 259 F HA 0.020 4.750 4.527 0.338 0.000 0.358 259 F C 1.543 177.365 175.800 0.036 0.000 1.095 259 F CA -0.143 57.860 58.000 0.006 0.000 1.216 259 F CB 0.960 39.971 39.000 0.017 0.000 1.125 259 F HN 0.010 nan 8.300 nan 0.000 0.549 260 Q N 1.648 121.570 119.800 0.204 0.000 2.197 260 Q HA -0.277 4.266 4.340 0.338 0.000 0.207 260 Q C 1.552 177.668 176.000 0.193 0.000 0.984 260 Q CA 1.866 57.763 55.803 0.156 0.000 0.869 260 Q CB -0.323 28.489 28.738 0.124 0.000 0.906 260 Q HN 0.824 nan 8.270 nan 0.000 0.426 261 Y N 0.661 121.028 120.300 0.112 0.000 2.243 261 Y HA -0.166 4.587 4.550 0.338 0.000 0.293 261 Y C 1.798 177.747 175.900 0.082 0.000 1.124 261 Y CA 0.911 59.055 58.100 0.074 0.000 1.159 261 Y CB 0.047 38.522 38.460 0.025 0.000 1.008 261 Y HN -0.000 nan 8.280 nan 0.000 0.527 262 I N -0.642 119.913 120.570 -0.025 0.000 2.163 262 I HA -0.298 4.075 4.170 0.338 0.000 0.240 262 I C 2.889 178.953 176.117 -0.088 0.000 1.081 262 I CA 1.101 62.332 61.300 -0.115 0.000 1.353 262 I CB -1.885 36.159 38.000 0.073 0.000 1.054 262 I HN 0.398 nan 8.210 nan 0.000 0.407 263 C N 0.831 120.139 119.300 0.014 0.000 2.349 263 C HA -0.287 4.376 4.460 0.338 0.000 0.274 263 C C 3.534 178.524 174.990 -0.001 0.000 1.178 263 C CA 2.336 61.359 59.018 0.009 0.000 1.769 263 C CB -1.053 26.727 27.740 0.067 0.000 2.047 263 C HN 0.704 nan 8.230 nan 0.000 0.448 264 S N -0.779 114.947 115.700 0.044 0.000 2.365 264 S HA -0.238 4.435 4.470 0.338 0.000 0.225 264 S C 1.874 176.476 174.600 0.004 0.000 1.039 264 S CA 2.361 60.609 58.200 0.080 0.000 1.033 264 S CB -1.066 62.186 63.200 0.086 0.000 0.887 264 S HN 0.761 nan 8.310 nan 0.000 0.447 265 C N 1.057 120.268 119.300 -0.147 0.000 2.403 265 C HA 0.014 4.677 4.460 0.338 0.000 0.279 265 C C 2.619 177.556 174.990 -0.089 0.000 1.269 265 C CA 0.979 59.894 59.018 -0.172 0.000 1.774 265 C CB -1.697 25.835 27.740 -0.346 0.000 1.993 265 C HN 0.646 nan 8.230 nan 0.000 0.496 266 L N -1.013 120.146 121.223 -0.106 0.000 2.109 266 L HA -0.108 4.435 4.340 0.338 0.000 0.207 266 L C 2.764 179.569 176.870 -0.108 0.000 1.086 266 L CA 1.175 55.940 54.840 -0.124 0.000 0.760 266 L CB -0.898 41.052 42.059 -0.183 0.000 0.910 266 L HN 0.453 nan 8.230 nan 0.000 0.437 267 H N 0.259 119.331 119.070 0.003 0.000 2.256 267 H HA -0.104 4.655 4.556 0.338 0.000 0.299 267 H C 2.563 177.901 175.328 0.017 0.000 1.071 267 H CA 1.955 58.013 56.048 0.018 0.000 1.280 267 H CB -0.402 29.378 29.762 0.029 0.000 1.370 267 H HN 0.304 nan 8.280 nan 0.000 0.490 268 S N -0.677 115.116 115.700 0.155 0.000 2.419 268 S HA -0.031 4.642 4.470 0.338 0.000 0.233 268 S C 1.884 176.512 174.600 0.048 0.000 1.016 268 S CA 1.055 59.307 58.200 0.087 0.000 0.974 268 S CB -0.205 63.040 63.200 0.075 0.000 0.786 268 S HN 0.783 nan 8.310 nan 0.000 0.492 269 G N 0.200 109.018 108.800 0.030 0.000 2.176 269 G HA2 -0.209 3.954 3.960 0.338 0.000 0.232 269 G HA3 -0.209 3.954 3.960 0.338 0.000 0.232 269 G C -0.038 174.867 174.900 0.009 0.000 0.986 269 G CA -0.001 45.106 45.100 0.012 0.000 0.643 269 G HN 0.374 nan 8.290 nan 0.000 0.522 270 L N 1.642 122.874 121.223 0.015 0.000 2.482 270 L HA 0.512 5.055 4.340 0.338 0.000 0.273 270 L C 1.533 178.408 176.870 0.009 0.000 1.228 270 L CA 1.328 56.188 54.840 0.033 0.000 0.827 270 L CB 0.696 42.789 42.059 0.056 0.000 1.099 270 L HN 0.472 nan 8.230 nan 0.000 0.494 271 T N 0.973 115.552 114.554 0.041 0.000 2.743 271 T HA 0.563 5.116 4.350 0.338 0.000 0.292 271 T C -2.486 172.195 174.700 -0.032 0.000 0.972 271 T CA -1.988 60.097 62.100 -0.026 0.000 0.967 271 T CB 1.089 69.918 68.868 -0.066 0.000 0.926 271 T HN 0.288 nan 8.240 nan 0.000 0.459 272 P HA 0.104 nan 4.420 nan 0.000 0.266 272 P C -0.472 176.854 177.300 0.043 0.000 1.193 272 P CA 0.012 63.141 63.100 0.048 0.000 0.770 272 P CB 0.191 31.883 31.700 -0.015 0.000 0.836 273 H N 2.151 121.372 119.070 0.252 0.000 2.727 273 H HA 0.455 5.214 4.556 0.339 0.000 0.330 273 H C -0.326 175.025 175.328 0.037 0.000 0.986 273 H CA -0.420 55.694 56.048 0.111 0.000 1.251 273 H CB 1.045 30.848 29.762 0.069 0.000 1.493 273 H HN 0.264 nan 8.280 nan 0.000 0.515 274 L N 1.755 123.026 121.223 0.080 0.000 2.350 274 L HA 0.514 5.057 4.340 0.338 0.000 0.260 274 L C -0.128 176.707 176.870 -0.057 0.000 1.015 274 L CA -0.841 53.984 54.840 -0.026 0.000 0.821 274 L CB 2.527 44.567 42.059 -0.031 0.000 1.370 274 L HN 0.432 nan 8.230 nan 0.000 0.416 275 T N 1.598 116.081 114.554 -0.118 0.000 2.812 275 T HA 0.457 5.010 4.350 0.338 0.000 0.282 275 T C -0.206 174.403 174.700 -0.151 0.000 0.990 275 T CA -0.608 61.414 62.100 -0.131 0.000 0.960 275 T CB 1.543 70.350 68.868 -0.101 0.000 0.948 275 T HN 0.305 nan 8.240 nan 0.000 0.438 276 M N 3.801 123.224 119.600 -0.295 0.000 2.292 276 M HA 0.204 4.887 4.480 0.338 0.000 0.342 276 M C -0.539 175.789 176.300 0.045 0.000 1.538 276 M CA -0.034 55.090 55.300 -0.294 0.000 1.163 276 M CB -0.220 31.760 32.600 -1.034 0.000 1.823 276 M HN 0.327 nan 8.290 nan 0.000 0.462 277 V N 3.834 123.891 119.914 0.239 0.000 2.417 277 V HA 0.238 4.561 4.120 0.338 0.000 0.291 277 V C -0.086 176.098 176.094 0.150 0.000 1.024 277 V CA -0.856 61.587 62.300 0.239 0.000 0.861 277 V CB 1.429 33.395 31.823 0.238 0.000 0.985 277 V HN 0.750 nan 8.190 nan 0.000 0.436 278 H N 2.997 121.974 119.070 -0.155 0.000 2.562 278 H HA 0.239 4.998 4.556 0.338 0.000 0.352 278 H C 1.512 176.442 175.328 -0.662 0.000 1.125 278 H CA 0.439 56.066 56.048 -0.701 0.000 1.379 278 H CB 1.682 31.128 29.762 -0.527 0.000 1.464 278 H HN 0.737 nan 8.280 nan 0.000 0.563 279 S N 1.791 116.368 115.700 -1.871 0.000 2.387 279 S HA -0.283 4.390 4.470 0.338 0.000 0.230 279 S C 2.214 176.243 174.600 -0.953 0.000 1.035 279 S CA 1.423 58.571 58.200 -1.753 0.000 1.014 279 S CB -0.911 60.921 63.200 -2.280 0.000 0.836 279 S HN 0.720 nan 8.310 nan 0.000 0.466 280 S N 1.550 116.832 115.700 -0.697 0.000 2.419 280 S HA -0.089 4.584 4.470 0.338 0.000 0.233 280 S C 1.949 176.463 174.600 -0.142 0.000 1.016 280 S CA 1.245 59.318 58.200 -0.212 0.000 0.974 280 S CB -0.821 62.417 63.200 0.063 0.000 0.786 280 S HN 0.636 nan 8.310 nan 0.000 0.492 281 S N 0.978 116.601 115.700 -0.128 0.000 2.414 281 S HA 0.161 4.834 4.470 0.338 0.000 0.227 281 S C 1.713 176.270 174.600 -0.071 0.000 1.022 281 S CA 0.532 58.699 58.200 -0.055 0.000 0.958 281 S CB -0.516 62.690 63.200 0.011 0.000 0.797 281 S HN 0.596 nan 8.310 nan 0.000 0.493 282 I N 1.052 121.544 120.570 -0.129 0.000 2.333 282 I HA -0.028 4.345 4.170 0.338 0.000 0.246 282 I C 2.162 178.169 176.117 -0.182 0.000 1.106 282 I CA 0.736 62.002 61.300 -0.058 0.000 1.411 282 I CB -0.231 37.788 38.000 0.031 0.000 1.082 282 I HN 0.263 nan 8.210 nan 0.000 0.420 283 L N 0.531 121.623 121.223 -0.217 0.000 2.131 283 L HA -0.215 4.328 4.340 0.338 0.000 0.210 283 L C 2.795 179.495 176.870 -0.282 0.000 1.092 283 L CA 1.253 55.935 54.840 -0.264 0.000 0.759 283 L CB -0.649 41.294 42.059 -0.194 0.000 0.903 283 L HN 0.256 nan 8.230 nan 0.000 0.435 284 A N -0.451 122.250 122.820 -0.198 0.000 1.902 284 A HA -0.253 4.270 4.320 0.338 0.000 0.217 284 A C 2.310 179.779 177.584 -0.192 0.000 1.181 284 A CA 1.766 53.709 52.037 -0.157 0.000 0.623 284 A CB -0.422 18.525 19.000 -0.089 0.000 0.818 284 A HN 0.321 nan 8.150 nan 0.000 0.443 285 M N -1.396 118.084 119.600 -0.200 0.000 2.059 285 M HA -0.178 4.505 4.480 0.338 0.000 0.259 285 M C 2.454 178.429 176.300 -0.541 0.000 1.072 285 M CA 2.104 57.280 55.300 -0.208 0.000 1.117 285 M CB -0.346 32.259 32.600 0.008 0.000 1.320 285 M HN 0.521 nan 8.290 nan 0.000 0.408 286 R N 0.556 120.402 120.500 -1.089 0.000 2.113 286 R HA -0.239 4.304 4.340 0.338 0.000 0.244 286 R C 1.411 177.227 176.300 -0.807 0.000 1.142 286 R CA 2.596 57.675 56.100 -1.701 0.000 0.953 286 R CB -0.488 28.867 30.300 -1.575 0.000 0.860 286 R HN 0.362 nan 8.270 nan 0.000 0.438 287 D N 0.187 120.285 120.400 -0.504 0.000 2.106 287 D HA -0.176 4.667 4.640 0.338 0.000 0.191 287 D C 1.702 177.867 176.300 -0.225 0.000 0.997 287 D CA 1.847 55.668 54.000 -0.298 0.000 0.834 287 D CB -0.157 40.515 40.800 -0.213 0.000 0.956 287 D HN 0.454 nan 8.370 nan 0.000 0.448 288 E N 0.120 120.197 120.200 -0.205 0.000 2.273 288 E HA -0.198 4.355 4.350 0.338 0.000 0.198 288 E C 1.320 177.876 176.600 -0.073 0.000 1.002 288 E CA 0.699 57.036 56.400 -0.105 0.000 0.828 288 E CB -0.134 29.526 29.700 -0.066 0.000 0.747 288 E HN 0.523 nan 8.360 nan 0.000 0.491 289 Q N 0.762 120.448 119.800 -0.191 0.000 2.247 289 Q HA 0.074 4.617 4.340 0.338 0.000 0.204 289 Q C 0.404 176.380 176.000 -0.040 0.000 0.872 289 Q CA -0.120 55.583 55.803 -0.166 0.000 0.951 289 Q CB 0.732 29.277 28.738 -0.320 0.000 1.099 289 Q HN 0.094 nan 8.270 nan 0.000 0.501 290 S N 0.420 116.080 115.700 -0.067 0.000 2.566 290 S HA 0.066 4.739 4.470 0.338 0.000 0.280 290 S C 0.233 174.825 174.600 -0.012 0.000 1.343 290 S CA -0.397 57.770 58.200 -0.055 0.000 1.036 290 S CB 0.958 64.117 63.200 -0.070 0.000 0.866 290 S HN 0.209 nan 8.310 nan 0.000 0.526 317 W N 0.686 121.897 121.300 -0.148 0.000 2.468 317 W HA 0.017 4.880 4.660 0.338 0.000 0.262 317 W C 1.334 177.781 176.519 -0.120 0.000 1.241 317 W CA 1.354 58.584 57.345 -0.191 0.000 1.232 317 W CB -1.528 27.823 29.460 -0.181 0.000 1.124 317 W HN 0.575 nan 8.180 nan 0.000 0.597 318 S N 2.173 117.614 115.700 -0.431 0.000 2.353 318 S HA -0.158 4.515 4.470 0.338 0.000 0.222 318 S C 1.346 175.721 174.600 -0.376 0.000 1.035 318 S CA 1.432 59.296 58.200 -0.559 0.000 1.025 318 S CB -0.991 62.058 63.200 -0.251 0.000 0.902 318 S HN 0.281 nan 8.310 nan 0.000 0.440 319 L N 2.302 123.406 121.223 -0.198 0.000 2.600 319 L HA 0.213 4.756 4.340 0.338 0.000 0.278 319 L C 1.078 177.888 176.870 -0.099 0.000 1.139 319 L CA 0.114 54.886 54.840 -0.113 0.000 0.933 319 L CB -0.151 41.884 42.059 -0.040 0.000 1.266 319 L HN 0.169 nan 8.230 nan 0.000 0.471 320 E N 1.573 121.709 120.200 -0.107 0.000 2.452 320 E HA -0.016 4.537 4.350 0.338 0.000 0.197 320 E C 0.655 177.249 176.600 -0.010 0.000 1.022 320 E CA -0.135 56.226 56.400 -0.064 0.000 0.890 320 E CB 0.511 30.154 29.700 -0.095 0.000 0.918 320 E HN 0.722 nan 8.360 nan 0.000 0.496 321 Q N 1.646 121.443 119.800 -0.005 0.000 2.417 321 Q HA 0.192 4.735 4.340 0.338 0.000 0.241 321 Q C -2.584 173.451 176.000 0.060 0.000 1.008 321 Q CA -1.982 53.832 55.803 0.017 0.000 0.901 321 Q CB -0.159 28.582 28.738 0.005 0.000 1.259 321 Q HN -0.241 nan 8.270 nan 0.000 0.489 322 P HA -0.004 nan 4.420 nan 0.000 0.267 322 P C -0.830 176.575 177.300 0.175 0.000 1.200 322 P CA 0.047 63.220 63.100 0.121 0.000 0.772 322 P CB 0.107 31.857 31.700 0.084 0.000 0.855 323 F N 2.808 122.825 119.950 0.111 0.000 2.418 323 F HA 0.429 5.159 4.527 0.338 0.000 0.341 323 F C 0.070 176.020 175.800 0.250 0.000 1.120 323 F CA 0.628 58.705 58.000 0.128 0.000 1.232 323 F CB 0.627 39.667 39.000 0.067 0.000 1.175 323 F HN 0.393 nan 8.300 nan 0.000 0.569 324 S N 5.418 120.629 115.700 -0.815 0.000 2.547 324 S HA 0.733 5.406 4.470 0.338 0.000 0.270 324 S C -1.067 173.112 174.600 -0.701 0.000 1.150 324 S CA -0.820 57.099 58.200 -0.468 0.000 0.850 324 S CB 1.415 64.504 63.200 -0.184 0.000 1.118 324 S HN 0.907 nan 8.310 nan 0.000 0.461 325 I N -1.831 118.614 120.570 -0.208 0.000 3.002 325 I HA 0.768 5.141 4.170 0.338 0.000 0.310 325 I C -0.526 175.621 176.117 0.049 0.000 1.087 325 I CA -0.975 60.303 61.300 -0.037 0.000 1.017 325 I CB 1.715 39.817 38.000 0.169 0.000 1.226 325 I HN 0.806 nan 8.210 nan 0.000 0.443 326 E N 2.571 122.830 120.200 0.099 0.000 2.115 326 E HA 0.380 4.933 4.350 0.338 0.000 0.282 326 E C -1.255 175.407 176.600 0.103 0.000 0.987 326 E CA -0.890 55.564 56.400 0.089 0.000 0.797 326 E CB 1.294 31.046 29.700 0.087 0.000 1.086 326 E HN 0.683 nan 8.360 nan 0.000 0.397 327 L N 6.088 127.357 121.223 0.077 0.000 2.369 327 L HA 0.227 4.770 4.340 0.338 0.000 0.279 327 L C -0.233 176.736 176.870 0.164 0.000 1.108 327 L CA 0.642 55.515 54.840 0.054 0.000 0.852 327 L CB 0.447 42.456 42.059 -0.082 0.000 1.169 327 L HN 0.743 nan 8.230 nan 0.000 0.452 328 I N 3.152 123.825 120.570 0.173 0.000 3.196 328 I HA 0.254 4.627 4.170 0.338 0.000 0.248 328 I C 0.063 176.305 176.117 0.209 0.000 1.105 328 I CA 0.138 61.539 61.300 0.168 0.000 1.482 328 I CB 0.173 38.226 38.000 0.088 0.000 1.400 328 I HN 0.695 nan 8.210 nan 0.000 0.464 329 E N -0.133 120.181 120.200 0.191 0.000 2.423 329 E HA 0.664 5.217 4.350 0.338 0.000 0.280 329 E C -0.894 175.780 176.600 0.124 0.000 1.030 329 E CA -1.116 55.345 56.400 0.102 0.000 0.812 329 E CB 1.694 31.380 29.700 -0.024 0.000 1.313 329 E HN 0.086 nan 8.360 nan 0.000 0.456 330 G N 0.156 108.985 108.800 0.048 0.000 2.798 330 G HA2 0.696 4.859 3.960 0.338 0.000 0.286 330 G HA3 0.696 4.859 3.960 0.338 0.000 0.286 330 G C -1.113 173.772 174.900 -0.026 0.000 1.389 330 G CA -1.198 43.935 45.100 0.055 0.000 0.894 330 G HN 0.540 nan 8.290 nan 0.000 0.488 331 R N 0.100 120.587 120.500 -0.021 0.000 2.672 331 R HA 0.289 4.832 4.340 0.338 0.000 0.228 331 R C -0.752 175.539 176.300 -0.016 0.000 1.501 331 R CA -0.838 55.244 56.100 -0.029 0.000 1.514 331 R CB 0.435 30.715 30.300 -0.033 0.000 1.489 331 R HN 0.399 nan 8.270 nan 0.000 0.747 332 K N -0.065 120.331 120.400 -0.006 0.000 2.082 332 K HA 0.733 5.256 4.320 0.338 0.000 0.246 332 K C -0.213 176.389 176.600 0.003 0.000 1.061 332 K CA -1.228 55.061 56.287 0.003 0.000 0.952 332 K CB 0.400 32.910 32.500 0.018 0.000 1.513 332 K HN -0.010 nan 8.250 nan 0.000 0.631 333 V N -0.673 119.250 119.914 0.014 0.000 3.087 333 V HA 0.595 4.918 4.120 0.338 0.000 0.306 333 V C -1.049 175.062 176.094 0.028 0.000 1.187 333 V CA -0.681 61.628 62.300 0.014 0.000 0.999 333 V CB 1.813 33.641 31.823 0.009 0.000 1.049 333 V HN 0.858 nan 8.190 nan 0.000 0.431 334 N N -0.247 118.470 118.700 0.028 0.000 3.517 334 N HA 0.832 5.775 4.740 0.338 0.000 0.329 334 N C -0.706 174.824 175.510 0.034 0.000 1.569 334 N CA 0.243 53.316 53.050 0.039 0.000 0.852 334 N CB 1.614 40.135 38.487 0.056 0.000 1.955 334 N HN 1.044 nan 8.380 nan 0.000 0.555 340 K N 2.690 123.133 120.400 0.071 0.000 2.316 340 K HA 0.834 5.357 4.320 0.338 0.000 0.251 340 K C -0.791 175.874 176.600 0.109 0.000 0.934 340 K CA -0.578 55.757 56.287 0.079 0.000 0.802 340 K CB 2.376 34.923 32.500 0.078 0.000 1.171 340 K HN 0.550 nan 8.250 nan 0.000 0.426 341 L N 1.892 123.185 121.223 0.117 0.000 2.395 341 L HA 0.554 5.097 4.340 0.338 0.000 0.269 341 L C -0.454 176.522 176.870 0.178 0.000 1.133 341 L CA -0.822 54.110 54.840 0.153 0.000 0.812 341 L CB 1.039 43.216 42.059 0.198 0.000 1.125 341 L HN 0.302 nan 8.230 nan 0.000 0.452 342 V N 2.818 122.760 119.914 0.047 0.000 3.012 342 V HA 0.452 4.775 4.120 0.338 0.000 0.307 342 V C -0.431 175.412 176.094 -0.418 0.000 1.166 342 V CA -0.559 61.687 62.300 -0.091 0.000 0.974 342 V CB 2.929 34.737 31.823 -0.024 0.000 1.040 342 V HN 0.411 nan 8.190 nan 0.000 0.428 343 V N 3.455 123.117 119.914 -0.420 0.000 2.975 343 V HA 0.657 4.980 4.120 0.338 0.000 0.318 343 V C -0.397 175.549 176.094 -0.246 0.000 1.077 343 V CA -0.505 61.540 62.300 -0.426 0.000 1.000 343 V CB 1.836 33.343 31.823 -0.526 0.000 1.066 343 V HN 0.880 nan 8.190 nan 0.000 0.452 344 Q N 0.814 120.571 119.800 -0.072 0.000 2.309 344 Q HA 0.734 5.277 4.340 0.338 0.000 0.273 344 Q C -1.493 174.598 176.000 0.152 0.000 1.040 344 Q CA -0.530 55.324 55.803 0.085 0.000 0.834 344 Q CB 2.470 31.348 28.738 0.233 0.000 1.345 344 Q HN 0.979 nan 8.270 nan 0.000 0.414 345 A N 1.379 124.280 122.820 0.134 0.000 2.498 345 A HA 1.002 5.525 4.320 0.338 0.000 0.298 345 A C -0.958 176.751 177.584 0.209 0.000 1.075 345 A CA -0.099 52.002 52.037 0.105 0.000 0.714 345 A CB 2.125 21.155 19.000 0.051 0.000 1.299 345 A HN 0.700 nan 8.150 nan 0.000 0.407 346 G N -0.099 108.787 108.800 0.144 0.000 2.733 346 G HA2 0.556 4.719 3.960 0.338 0.000 0.297 346 G HA3 0.556 4.719 3.960 0.338 0.000 0.297 346 G C -1.404 173.343 174.900 -0.255 0.000 1.422 346 G CA -0.630 44.453 45.100 -0.028 0.000 0.942 346 G HN 0.680 nan 8.290 nan 0.000 0.510 347 L N 1.060 122.017 121.223 -0.444 0.000 2.290 347 L HA 0.517 5.060 4.340 0.338 0.000 0.284 347 L C -0.752 175.859 176.870 -0.430 0.000 1.078 347 L CA -0.411 54.174 54.840 -0.426 0.000 0.815 347 L CB 0.767 42.528 42.059 -0.496 0.000 1.162 347 L HN 0.356 nan 8.230 nan 0.000 0.435 348 F N 0.760 120.636 119.950 -0.124 0.000 2.508 348 F HA 0.287 5.018 4.527 0.339 0.000 0.325 348 F C 0.161 175.919 175.800 -0.070 0.000 1.090 348 F CA -0.681 57.268 58.000 -0.085 0.000 0.945 348 F CB 1.425 40.377 39.000 -0.080 0.000 1.156 348 F HN 0.373 nan 8.300 nan 0.000 0.463 349 H N 1.764 120.819 119.070 -0.026 0.000 2.572 349 H HA 0.506 5.265 4.556 0.339 0.000 0.248 349 H C 0.445 175.535 175.328 -0.395 0.000 1.397 349 H CA 0.350 56.282 56.048 -0.193 0.000 1.319 349 H CB -0.101 29.547 29.762 -0.190 0.000 1.452 349 H HN 0.801 nan 8.280 nan 0.000 0.535 350 G N 3.530 111.929 108.800 -0.667 0.000 2.536 350 G HA2 -0.436 3.727 3.960 0.338 0.000 0.277 350 G HA3 -0.436 3.727 3.960 0.338 0.000 0.277 350 G C 1.052 175.593 174.900 -0.598 0.000 1.155 350 G CA 0.368 44.694 45.100 -1.291 0.000 0.960 350 G HN 0.526 nan 8.290 nan 0.000 0.544 351 N N 1.679 120.081 118.700 -0.496 0.000 2.132 351 N HA 0.058 5.001 4.740 0.338 0.000 0.187 351 N C 0.772 176.320 175.510 0.063 0.000 1.038 351 N CA 1.323 54.282 53.050 -0.152 0.000 0.846 351 N CB -0.531 37.856 38.487 -0.167 0.000 1.012 351 N HN 0.589 nan 8.380 nan 0.000 0.429 352 E N 1.891 122.078 120.200 -0.022 0.000 2.480 352 E HA -0.022 4.531 4.350 0.338 0.000 0.258 352 E C 0.341 176.990 176.600 0.082 0.000 0.984 352 E CA 0.129 56.554 56.400 0.041 0.000 0.930 352 E CB -0.004 29.693 29.700 -0.004 0.000 0.936 352 E HN 0.338 nan 8.360 nan 0.000 0.466 353 M N 1.577 121.154 119.600 -0.039 0.000 2.240 353 M HA 0.197 4.880 4.480 0.338 0.000 0.333 353 M C 0.113 176.291 176.300 -0.204 0.000 1.110 353 M CA 0.055 55.108 55.300 -0.411 0.000 1.173 353 M CB 0.543 32.696 32.600 -0.745 0.000 1.458 353 M HN 0.357 nan 8.290 nan 0.000 0.458 354 L N 1.606 122.698 121.223 -0.218 0.000 2.607 354 L HA 0.295 4.838 4.340 0.338 0.000 0.228 354 L C -0.166 176.654 176.870 -0.084 0.000 1.123 354 L CA -0.253 54.522 54.840 -0.108 0.000 0.890 354 L CB -0.100 41.907 42.059 -0.088 0.000 1.103 354 L HN 1.078 nan 8.230 nan 0.000 0.468 355 C N -3.350 115.887 119.300 -0.105 0.000 3.231 355 C HA 0.277 4.940 4.460 0.338 0.000 0.343 355 C C -0.748 174.212 174.990 -0.051 0.000 1.349 355 C CA -1.885 57.111 59.018 -0.037 0.000 1.209 355 C CB 0.951 28.715 27.740 0.041 0.000 1.475 355 C HN 0.292 nan 8.230 nan 0.000 0.460 356 K N 1.091 121.481 120.400 -0.017 0.000 2.485 356 K HA 0.422 4.945 4.320 0.338 0.000 0.277 356 K C 0.483 177.086 176.600 0.005 0.000 0.990 356 K CA 0.853 57.129 56.287 -0.018 0.000 0.994 356 K CB 0.105 32.599 32.500 -0.010 0.000 0.906 356 K HN 1.001 nan 8.250 nan 0.000 0.488 357 T N -0.868 113.684 114.554 -0.003 0.000 2.766 357 T HA 0.328 4.881 4.350 0.338 0.000 0.295 357 T C 0.619 175.318 174.700 -0.001 0.000 1.024 357 T CA -0.535 61.591 62.100 0.044 0.000 1.018 357 T CB 0.870 69.778 68.868 0.066 0.000 1.002 357 T HN 0.601 nan 8.240 nan 0.000 0.532 358 V N -2.080 117.811 119.914 -0.038 0.000 3.156 358 V HA 0.939 5.262 4.120 0.338 0.000 0.311 358 V C -0.256 175.793 176.094 -0.074 0.000 1.208 358 V CA -1.053 61.169 62.300 -0.131 0.000 1.063 358 V CB 1.503 33.115 31.823 -0.351 0.000 1.098 358 V HN 1.094 nan 8.190 nan 0.000 0.452 359 S N -0.682 114.963 115.700 -0.091 0.000 2.732 359 S HA 0.748 5.421 4.470 0.338 0.000 0.293 359 S C -0.454 174.077 174.600 -0.116 0.000 1.159 359 S CA -0.539 57.621 58.200 -0.066 0.000 0.847 359 S CB 1.980 65.174 63.200 -0.011 0.000 1.169 359 S HN 0.978 nan 8.310 nan 0.000 0.501 360 S N 1.645 117.256 115.700 -0.150 0.000 2.687 360 S HA 0.555 5.228 4.470 0.338 0.000 0.283 360 S C 0.271 174.852 174.600 -0.032 0.000 1.170 360 S CA -0.800 57.286 58.200 -0.190 0.000 1.008 360 S CB 1.151 64.100 63.200 -0.418 0.000 1.026 360 S HN 0.820 nan 8.310 nan 0.000 0.541 361 S N 0.733 116.465 115.700 0.054 0.000 2.589 361 S HA 0.182 4.855 4.470 0.338 0.000 0.265 361 S C -0.194 174.514 174.600 0.180 0.000 1.342 361 S CA -0.615 57.654 58.200 0.115 0.000 1.005 361 S CB 0.018 63.301 63.200 0.140 0.000 0.909 361 S HN 0.666 nan 8.310 nan 0.000 0.555 362 E N 0.176 120.460 120.200 0.139 0.000 2.324 362 E HA 0.371 4.924 4.350 0.338 0.000 0.271 362 E C -1.167 175.522 176.600 0.148 0.000 1.028 362 E CA -0.265 56.221 56.400 0.143 0.000 0.890 362 E CB 1.085 30.843 29.700 0.096 0.000 1.004 362 E HN 0.389 nan 8.360 nan 0.000 0.431 363 V N 4.993 125.007 119.914 0.167 0.000 2.483 363 V HA 0.100 4.423 4.120 0.338 0.000 0.297 363 V C -0.148 175.967 176.094 0.034 0.000 1.027 363 V CA -1.071 61.263 62.300 0.058 0.000 0.855 363 V CB 1.795 33.588 31.823 -0.050 0.000 0.995 363 V HN 0.667 nan 8.190 nan 0.000 0.424 364 N N 2.770 121.469 118.700 -0.001 0.000 2.293 364 N HA -0.049 4.894 4.740 0.338 0.000 0.253 364 N C 1.120 176.625 175.510 -0.009 0.000 1.248 364 N CA 0.188 53.239 53.050 0.001 0.000 0.845 364 N CB 1.550 40.029 38.487 -0.014 0.000 1.073 364 N HN 0.476 nan 8.380 nan 0.000 0.464 365 V N 2.278 122.201 119.914 0.016 0.000 3.330 365 V HA -0.262 4.061 4.120 0.338 0.000 0.275 365 V C 2.098 178.188 176.094 -0.007 0.000 1.211 365 V CA 0.762 63.074 62.300 0.020 0.000 1.202 365 V CB -1.038 30.808 31.823 0.037 0.000 0.852 365 V HN 0.760 nan 8.190 nan 0.000 0.563 366 C N -0.270 119.010 119.300 -0.034 0.000 3.731 366 C HA -0.166 4.497 4.460 0.338 0.000 0.291 366 C C 2.607 177.562 174.990 -0.059 0.000 1.186 366 C CA 1.667 60.654 59.018 -0.050 0.000 1.830 366 C CB -0.822 26.874 27.740 -0.073 0.000 1.914 366 C HN 0.707 nan 8.230 nan 0.000 0.398 367 S N -0.652 114.988 115.700 -0.099 0.000 2.136 367 S HA 0.161 4.834 4.470 0.338 0.000 0.205 367 S C 0.627 175.182 174.600 -0.075 0.000 1.346 367 S CA 0.577 58.717 58.200 -0.100 0.000 1.084 367 S CB -0.382 62.729 63.200 -0.147 0.000 0.767 367 S HN 0.718 nan 8.310 nan 0.000 0.423 368 E N 0.250 120.403 120.200 -0.079 0.000 3.070 368 E HA -0.123 4.430 4.350 0.338 0.000 0.285 368 E C -2.517 173.976 176.600 -0.179 0.000 0.972 368 E CA 0.470 56.809 56.400 -0.102 0.000 0.915 368 E CB -1.561 28.090 29.700 -0.081 0.000 1.466 368 E HN 0.371 nan 8.360 nan 0.000 0.432 369 P HA 0.096 nan 4.420 nan 0.000 0.269 369 P C -0.424 176.528 177.300 -0.579 0.000 1.217 369 P CA 0.049 62.815 63.100 -0.558 0.000 0.783 369 P CB 1.001 32.143 31.700 -0.930 0.000 0.898 370 V N 1.873 121.382 119.914 -0.675 0.000 2.567 370 V HA 0.202 4.525 4.120 0.338 0.000 0.298 370 V C 0.393 176.248 176.094 -0.398 0.000 1.047 370 V CA -0.344 61.725 62.300 -0.384 0.000 0.880 370 V CB 1.880 33.581 31.823 -0.203 0.000 1.009 370 V HN 0.724 nan 8.190 nan 0.000 0.429 371 W N 1.256 122.536 121.300 -0.034 0.000 2.777 371 W HA 0.205 5.068 4.660 0.338 0.000 0.260 371 W C 1.052 177.554 176.519 -0.028 0.000 1.194 371 W CA -0.339 56.989 57.345 -0.028 0.000 1.447 371 W CB 0.259 29.705 29.460 -0.024 0.000 1.009 371 W HN 0.607 nan 8.180 nan 0.000 0.613 372 K N 2.128 122.644 120.400 0.193 0.000 3.356 372 K HA -0.238 4.285 4.320 0.338 0.000 0.270 372 K C 0.002 176.651 176.600 0.081 0.000 0.901 372 K CA 0.719 57.062 56.287 0.094 0.000 0.688 372 K CB -1.681 30.838 32.500 0.032 0.000 1.460 372 K HN 0.449 nan 8.250 nan 0.000 0.458 373 Q N 0.230 120.091 119.800 0.103 0.000 2.340 373 Q HA 0.408 4.951 4.340 0.338 0.000 0.268 373 Q C -0.601 175.410 176.000 0.019 0.000 1.031 373 Q CA -1.376 54.458 55.803 0.051 0.000 0.804 373 Q CB 1.612 30.384 28.738 0.057 0.000 1.286 373 Q HN -0.022 nan 8.270 nan 0.000 0.448 374 R N 2.774 123.270 120.500 -0.006 0.000 2.446 374 R HA 0.204 4.747 4.340 0.338 0.000 0.314 374 R C -0.431 175.836 176.300 -0.055 0.000 1.003 374 R CA 0.051 56.135 56.100 -0.027 0.000 1.018 374 R CB -0.435 29.841 30.300 -0.041 0.000 0.945 374 R HN 0.610 nan 8.270 nan 0.000 0.419 375 L N 2.622 123.810 121.223 -0.059 0.000 2.265 375 L HA 0.267 4.810 4.340 0.338 0.000 0.288 375 L C 0.762 177.501 176.870 -0.219 0.000 1.058 375 L CA -0.138 54.609 54.840 -0.155 0.000 0.809 375 L CB 0.923 42.922 42.059 -0.101 0.000 1.179 375 L HN 0.501 nan 8.230 nan 0.000 0.429 376 E N 2.970 122.993 120.200 -0.294 0.000 2.179 376 E HA 0.477 5.030 4.350 0.338 0.000 0.275 376 E C -1.456 174.958 176.600 -0.309 0.000 0.945 376 E CA -0.653 55.631 56.400 -0.193 0.000 0.792 376 E CB 1.219 30.856 29.700 -0.105 0.000 1.125 376 E HN 0.273 nan 8.360 nan 0.000 0.397 377 F N 1.797 121.787 119.950 0.066 0.000 2.480 377 F HA 0.173 4.903 4.527 0.338 0.000 0.329 377 F C 0.895 176.736 175.800 0.069 0.000 1.091 377 F CA -0.768 57.291 58.000 0.099 0.000 0.972 377 F CB 1.482 40.615 39.000 0.222 0.000 1.150 377 F HN 0.414 nan 8.300 nan 0.000 0.467 378 D N 3.590 124.123 120.400 0.222 0.000 2.977 378 D HA 0.138 4.981 4.640 0.338 0.000 0.241 378 D C -0.736 175.630 176.300 0.110 0.000 1.206 378 D CA 0.618 54.686 54.000 0.113 0.000 0.902 378 D CB -0.348 40.491 40.800 0.065 0.000 1.131 378 D HN 0.393 nan 8.370 nan 0.000 0.447 379 I N -0.266 120.390 120.570 0.143 0.000 2.741 379 I HA 0.040 4.413 4.170 0.338 0.000 0.288 379 I C -0.767 175.431 176.117 0.135 0.000 1.482 379 I CA -0.479 60.887 61.300 0.110 0.000 1.050 379 I CB 1.828 39.873 38.000 0.074 0.000 1.388 379 I HN -0.193 nan 8.210 nan 0.000 0.428 380 S N 4.471 120.235 115.700 0.108 0.000 2.562 380 S HA 0.176 4.849 4.470 0.338 0.000 0.281 380 S C 1.065 175.734 174.600 0.115 0.000 1.333 380 S CA -0.157 58.107 58.200 0.106 0.000 1.052 380 S CB 1.456 64.710 63.200 0.090 0.000 0.884 380 S HN 0.500 nan 8.310 nan 0.000 0.506 381 V N 4.291 124.275 119.914 0.116 0.000 2.295 381 V HA -0.201 4.122 4.120 0.338 0.000 0.246 381 V C 2.748 178.893 176.094 0.084 0.000 1.049 381 V CA 2.182 64.554 62.300 0.120 0.000 1.024 381 V CB -1.308 30.596 31.823 0.135 0.000 0.648 381 V HN 1.164 nan 8.190 nan 0.000 0.447 382 C N -0.384 118.936 119.300 0.032 0.000 2.434 382 C HA -0.125 4.538 4.460 0.338 0.000 0.298 382 C C 1.805 176.792 174.990 -0.004 0.000 1.495 382 C CA 0.589 59.587 59.018 -0.034 0.000 1.756 382 C CB -1.689 25.958 27.740 -0.155 0.000 1.647 382 C HN 0.590 nan 8.230 nan 0.000 0.579 383 D N 0.357 120.839 120.400 0.136 0.000 2.355 383 D HA 0.175 5.018 4.640 0.338 0.000 0.206 383 D C 0.763 177.193 176.300 0.218 0.000 1.010 383 D CA 0.083 54.230 54.000 0.247 0.000 0.875 383 D CB -0.062 40.872 40.800 0.225 0.000 0.966 383 D HN 0.526 nan 8.370 nan 0.000 0.512 384 L N 4.333 125.670 121.223 0.190 0.000 2.737 384 L HA -0.012 4.531 4.340 0.338 0.000 0.275 384 L C -1.845 175.262 176.870 0.396 0.000 1.179 384 L CA -0.700 54.264 54.840 0.207 0.000 0.970 384 L CB -0.325 41.822 42.059 0.147 0.000 1.268 384 L HN -0.117 nan 8.230 nan 0.000 0.485 385 P HA -0.014 nan 4.420 nan 0.000 0.271 385 P C 0.289 177.714 177.300 0.208 0.000 1.233 385 P CA -0.510 62.760 63.100 0.282 0.000 0.789 385 P CB 0.671 32.397 31.700 0.044 0.000 0.951 386 R N 1.812 122.140 120.500 -0.286 0.000 2.139 386 R HA -0.082 4.461 4.340 0.338 0.000 0.243 386 R C 1.437 177.640 176.300 -0.161 0.000 1.145 386 R CA 1.927 57.523 56.100 -0.839 0.000 0.976 386 R CB -0.687 28.809 30.300 -1.340 0.000 0.866 386 R HN 0.370 nan 8.270 nan 0.000 0.449 387 M N 0.725 120.346 119.600 0.035 0.000 2.738 387 M HA 0.350 5.033 4.480 0.338 0.000 0.295 387 M C -0.198 176.190 176.300 0.147 0.000 1.266 387 M CA -0.474 54.879 55.300 0.088 0.000 0.985 387 M CB -0.157 32.406 32.600 -0.061 0.000 1.365 387 M HN 0.127 nan 8.290 nan 0.000 0.492 388 A N 2.071 125.028 122.820 0.227 0.000 2.553 388 A HA 0.143 4.666 4.320 0.338 0.000 0.258 388 A C 0.500 178.119 177.584 0.058 0.000 1.069 388 A CA 0.296 52.411 52.037 0.130 0.000 0.767 388 A CB -0.152 18.884 19.000 0.060 0.000 0.997 388 A HN 0.639 nan 8.150 nan 0.000 0.512 389 R N 3.158 123.675 120.500 0.027 0.000 2.310 389 R HA 0.501 5.044 4.340 0.338 0.000 0.324 389 R C -1.251 175.052 176.300 0.004 0.000 0.955 389 R CA -0.742 55.376 56.100 0.029 0.000 0.830 389 R CB 0.802 31.135 30.300 0.055 0.000 1.154 389 R HN 0.625 nan 8.270 nan 0.000 0.458 390 L N 5.705 126.902 121.223 -0.043 0.000 2.272 390 L HA 0.459 5.002 4.340 0.338 0.000 0.289 390 L C -1.480 175.318 176.870 -0.119 0.000 1.032 390 L CA -0.565 54.185 54.840 -0.150 0.000 0.810 390 L CB 1.141 43.068 42.059 -0.220 0.000 1.205 390 L HN 0.701 nan 8.230 nan 0.000 0.422 391 C N 5.702 124.912 119.300 -0.150 0.000 2.319 391 C HA 0.624 5.287 4.460 0.338 0.000 0.323 391 C C -0.423 174.487 174.990 -0.134 0.000 1.277 391 C CA -0.631 58.381 59.018 -0.010 0.000 1.517 391 C CB 0.131 27.963 27.740 0.154 0.000 2.206 391 C HN 0.707 nan 8.230 nan 0.000 0.486 392 F N 2.138 122.223 119.950 0.224 0.000 2.469 392 F HA 0.686 5.416 4.527 0.338 0.000 0.332 392 F C 0.522 176.453 175.800 0.219 0.000 1.103 392 F CA -0.350 57.760 58.000 0.184 0.000 0.979 392 F CB 1.231 40.301 39.000 0.117 0.000 1.137 392 F HN 0.654 nan 8.300 nan 0.000 0.463 393 A N 3.551 126.589 122.820 0.362 0.000 2.365 393 A HA 0.832 5.355 4.320 0.338 0.000 0.318 393 A C -1.779 175.880 177.584 0.125 0.000 1.091 393 A CA -0.702 51.531 52.037 0.326 0.000 0.763 393 A CB 1.490 20.728 19.000 0.397 0.000 1.248 393 A HN 0.850 nan 8.150 nan 0.000 0.442 394 L N 3.034 124.325 121.223 0.113 0.000 2.376 394 L HA 0.804 5.347 4.340 0.338 0.000 0.275 394 L C -1.283 175.622 176.870 0.058 0.000 0.987 394 L CA -0.461 54.343 54.840 -0.060 0.000 0.828 394 L CB 1.106 43.172 42.059 0.012 0.000 1.249 394 L HN 0.836 nan 8.230 nan 0.000 0.409 395 Y N 3.280 123.652 120.300 0.120 0.000 2.818 395 Y HA 0.971 5.724 4.550 0.338 0.000 0.322 395 Y C -0.695 175.267 175.900 0.104 0.000 1.323 395 Y CA -0.889 57.275 58.100 0.108 0.000 1.090 395 Y CB 0.911 39.429 38.460 0.097 0.000 1.328 395 Y HN 0.567 nan 8.280 nan 0.000 0.482 396 A N 0.283 123.319 122.820 0.360 0.000 2.435 396 A HA 0.921 5.444 4.320 0.338 0.000 0.296 396 A C -1.583 176.148 177.584 0.245 0.000 1.147 396 A CA -0.796 51.388 52.037 0.244 0.000 0.775 396 A CB 1.865 20.957 19.000 0.153 0.000 1.340 396 A HN 1.192 nan 8.150 nan 0.000 0.427 397 V N -0.219 119.800 119.914 0.175 0.000 3.225 397 V HA 0.459 4.782 4.120 0.338 0.000 0.293 397 V C -0.391 175.760 176.094 0.095 0.000 1.405 397 V CA -0.469 61.913 62.300 0.136 0.000 1.038 397 V CB 2.217 34.136 31.823 0.160 0.000 1.123 397 V HN 1.023 nan 8.190 nan 0.000 0.447 416 C N 3.609 122.938 119.300 0.047 0.000 2.344 416 C HA 0.648 5.311 4.460 0.338 0.000 0.326 416 C C -2.562 172.515 174.990 0.144 0.000 1.201 416 C CA -1.671 57.394 59.018 0.078 0.000 1.410 416 C CB 0.293 28.083 27.740 0.082 0.000 2.070 416 C HN 0.330 nan 8.230 nan 0.000 0.445 417 P HA 0.447 nan 4.420 nan 0.000 0.278 417 P C 0.007 177.427 177.300 0.200 0.000 1.238 417 P CA -0.101 63.125 63.100 0.210 0.000 0.794 417 P CB 1.052 32.845 31.700 0.156 0.000 0.955 418 I N 0.769 121.478 120.570 0.231 0.000 3.739 418 I HA 0.410 4.783 4.170 0.338 0.000 0.272 418 I C 0.537 176.763 176.117 0.181 0.000 1.167 418 I CA 0.606 62.011 61.300 0.175 0.000 1.386 418 I CB 0.208 38.293 38.000 0.143 0.000 1.490 418 I HN 0.384 nan 8.210 nan 0.000 0.452 419 A N -0.291 122.659 122.820 0.217 0.000 2.610 419 A HA 0.655 5.178 4.320 0.338 0.000 0.291 419 A C -2.082 175.699 177.584 0.329 0.000 1.086 419 A CA -0.612 51.546 52.037 0.201 0.000 0.677 419 A CB 0.869 19.910 19.000 0.068 0.000 1.278 419 A HN 0.230 nan 8.150 nan 0.000 0.414 420 W N -0.682 120.735 121.300 0.195 0.000 3.032 420 W HA 0.875 5.738 4.660 0.338 0.000 0.341 420 W C -0.660 176.022 176.519 0.271 0.000 1.202 420 W CA -0.799 56.672 57.345 0.211 0.000 1.132 420 W CB 1.398 30.960 29.460 0.169 0.000 1.465 420 W HN 1.739 nan 8.180 nan 0.000 0.576 421 A N 2.278 125.427 122.820 0.549 0.000 2.577 421 A HA 0.563 5.086 4.320 0.338 0.000 0.297 421 A C -1.609 176.301 177.584 0.544 0.000 1.060 421 A CA -0.835 51.444 52.037 0.404 0.000 0.697 421 A CB 1.398 20.515 19.000 0.194 0.000 1.281 421 A HN 0.592 nan 8.150 nan 0.000 0.402 422 N N 0.855 119.832 118.700 0.461 0.000 2.240 422 N HA 0.769 5.712 4.740 0.338 0.000 0.302 422 N C -1.258 174.407 175.510 0.259 0.000 1.106 422 N CA -0.507 52.749 53.050 0.344 0.000 0.778 422 N CB 2.165 40.810 38.487 0.264 0.000 1.431 422 N HN 0.710 nan 8.380 nan 0.000 0.479 423 L N -1.657 119.694 121.223 0.213 0.000 2.393 423 L HA 0.637 5.180 4.340 0.338 0.000 0.260 423 L C -0.289 176.637 176.870 0.093 0.000 1.002 423 L CA -1.022 53.907 54.840 0.148 0.000 0.818 423 L CB 0.283 42.441 42.059 0.165 0.000 1.369 423 L HN 0.286 nan 8.230 nan 0.000 0.412 424 M N 2.227 121.867 119.600 0.067 0.000 2.239 424 M HA 0.227 4.910 4.480 0.338 0.000 0.348 424 M C 1.132 177.505 176.300 0.122 0.000 1.239 424 M CA 0.190 55.544 55.300 0.091 0.000 1.114 424 M CB 0.563 33.219 32.600 0.093 0.000 1.641 424 M HN 0.729 nan 8.290 nan 0.000 0.453 425 L N 1.874 123.143 121.223 0.076 0.000 2.418 425 L HA 0.104 4.647 4.340 0.338 0.000 0.218 425 L C -0.029 176.710 176.870 -0.219 0.000 1.125 425 L CA 0.448 55.235 54.840 -0.089 0.000 0.835 425 L CB -0.035 41.855 42.059 -0.280 0.000 0.953 425 L HN 0.453 nan 8.230 nan 0.000 0.454 426 F N 0.151 120.190 119.950 0.150 0.000 2.480 426 F HA 0.223 4.953 4.527 0.338 0.000 0.329 426 F C 0.612 176.556 175.800 0.241 0.000 1.091 426 F CA -1.779 56.319 58.000 0.164 0.000 0.972 426 F CB 0.800 39.894 39.000 0.157 0.000 1.150 426 F HN -0.046 nan 8.300 nan 0.000 0.467 427 D N 1.224 121.828 120.400 0.339 0.000 2.349 427 D HA -0.149 4.694 4.640 0.338 0.000 0.239 427 D C 0.966 177.362 176.300 0.161 0.000 1.315 427 D CA -0.172 54.017 54.000 0.315 0.000 0.937 427 D CB 0.044 40.948 40.800 0.174 0.000 1.133 427 D HN 0.664 nan 8.370 nan 0.000 0.489 428 Y N -1.718 118.550 120.300 -0.055 0.000 2.421 428 Y HA 0.078 4.831 4.550 0.339 0.000 0.292 428 Y C 1.047 176.775 175.900 -0.287 0.000 1.136 428 Y CA 0.692 58.481 58.100 -0.518 0.000 1.255 428 Y CB -0.304 38.043 38.460 -0.189 0.000 0.991 428 Y HN 0.090 nan 8.280 nan 0.000 0.552 429 K N 1.437 121.470 120.400 -0.612 0.000 2.827 429 K HA 0.046 4.569 4.320 0.338 0.000 0.222 429 K C -0.506 176.073 176.600 -0.036 0.000 1.114 429 K CA 0.495 56.549 56.287 -0.389 0.000 1.206 429 K CB -0.204 32.019 32.500 -0.462 0.000 1.035 429 K HN 0.370 nan 8.250 nan 0.000 0.464 430 D N 0.296 120.687 120.400 -0.015 0.000 3.006 430 D HA -0.245 4.598 4.640 0.338 0.000 0.208 430 D C 0.298 176.855 176.300 0.429 0.000 1.116 430 D CA 1.203 55.288 54.000 0.141 0.000 0.998 430 D CB -0.623 40.252 40.800 0.126 0.000 1.124 430 D HN 0.470 nan 8.370 nan 0.000 0.413 431 Q N 0.527 120.541 119.800 0.357 0.000 2.279 431 Q HA 0.368 4.911 4.340 0.338 0.000 0.256 431 Q C 0.036 176.176 176.000 0.234 0.000 0.937 431 Q CA -0.709 55.179 55.803 0.143 0.000 0.933 431 Q CB 0.909 29.592 28.738 -0.091 0.000 1.189 431 Q HN 0.248 nan 8.270 nan 0.000 0.417 432 L N 3.889 125.229 121.223 0.194 0.000 2.492 432 L HA 0.075 4.618 4.340 0.338 0.000 0.280 432 L C -0.733 176.064 176.870 -0.123 0.000 1.240 432 L CA 0.981 55.705 54.840 -0.192 0.000 0.831 432 L CB 0.487 42.382 42.059 -0.273 0.000 1.100 432 L HN 0.578 nan 8.230 nan 0.000 0.505 433 K N 1.919 122.233 120.400 -0.144 0.000 2.182 433 K HA 0.642 5.165 4.320 0.338 0.000 0.262 433 K C -0.762 175.794 176.600 -0.075 0.000 0.957 433 K CA -0.463 55.786 56.287 -0.063 0.000 0.842 433 K CB 1.649 34.139 32.500 -0.016 0.000 1.099 433 K HN 0.826 nan 8.250 nan 0.000 0.438 434 T N -1.531 112.965 114.554 -0.096 0.000 2.840 434 T HA 0.480 5.033 4.350 0.338 0.000 0.317 434 T C 0.193 174.783 174.700 -0.183 0.000 1.401 434 T CA -0.638 61.354 62.100 -0.180 0.000 1.028 434 T CB 1.631 70.408 68.868 -0.152 0.000 1.317 434 T HN 0.526 nan 8.240 nan 0.000 0.495 435 G N 0.217 108.832 108.800 -0.308 0.000 2.613 435 G HA2 0.334 4.497 3.960 0.338 0.000 0.218 435 G HA3 0.334 4.497 3.960 0.338 0.000 0.218 435 G C 0.078 174.497 174.900 -0.801 0.000 1.508 435 G CA -0.129 44.500 45.100 -0.784 0.000 0.788 435 G HN 0.891 nan 8.290 nan 0.000 0.603 436 E N 0.514 120.422 120.200 -0.488 0.000 2.331 436 E HA 0.527 5.080 4.350 0.338 0.000 0.272 436 E C -0.824 175.739 176.600 -0.062 0.000 1.036 436 E CA -0.391 55.932 56.400 -0.129 0.000 0.864 436 E CB 0.899 30.679 29.700 0.134 0.000 1.035 436 E HN -0.009 nan 8.360 nan 0.000 0.408 437 R N 1.977 122.459 120.500 -0.030 0.000 2.575 437 R HA 0.297 4.840 4.340 0.338 0.000 0.293 437 R C -1.413 174.847 176.300 -0.067 0.000 0.983 437 R CA -0.441 55.641 56.100 -0.030 0.000 0.887 437 R CB 1.593 31.887 30.300 -0.010 0.000 1.184 437 R HN 0.524 nan 8.270 nan 0.000 0.445 438 C N 5.419 124.664 119.300 -0.092 0.000 2.295 438 C HA 0.613 5.276 4.460 0.338 0.000 0.331 438 C C -0.678 174.110 174.990 -0.338 0.000 1.280 438 C CA -0.655 58.231 59.018 -0.221 0.000 1.746 438 C CB -0.534 27.074 27.740 -0.219 0.000 2.328 438 C HN 0.743 nan 8.230 nan 0.000 0.521 439 L N 6.939 127.899 121.223 -0.439 0.000 2.324 439 L HA 0.366 4.909 4.340 0.338 0.000 0.274 439 L C -1.031 175.557 176.870 -0.469 0.000 1.012 439 L CA -0.403 54.227 54.840 -0.350 0.000 0.859 439 L CB 0.649 42.556 42.059 -0.253 0.000 1.224 439 L HN 0.697 nan 8.230 nan 0.000 0.429 440 Y N 3.584 123.774 120.300 -0.184 0.000 2.486 440 Y HA 0.292 5.045 4.550 0.339 0.000 0.348 440 Y C 0.635 176.265 175.900 -0.450 0.000 1.000 440 Y CA -0.063 57.866 58.100 -0.284 0.000 1.253 440 Y CB 0.602 38.883 38.460 -0.299 0.000 1.140 440 Y HN 0.456 nan 8.280 nan 0.000 0.526 441 M N 2.879 122.303 119.600 -0.294 0.000 2.314 441 M HA 0.264 4.947 4.480 0.338 0.000 0.342 441 M C -1.007 174.966 176.300 -0.545 0.000 1.171 441 M CA -0.484 54.591 55.300 -0.374 0.000 1.098 441 M CB 1.118 33.607 32.600 -0.186 0.000 1.559 441 M HN 0.582 nan 8.290 nan 0.000 0.459 442 W N 2.354 123.304 121.300 -0.582 0.000 2.351 442 W HA 0.395 5.257 4.660 0.338 0.000 0.311 442 W C -2.146 174.149 176.519 -0.373 0.000 1.168 442 W CA -1.661 55.306 57.345 -0.631 0.000 1.200 442 W CB -0.232 28.489 29.460 -1.232 0.000 1.221 442 W HN 0.301 nan 8.180 nan 0.000 0.519 443 P HA -0.036 nan 4.420 nan 0.000 0.265 443 P C -0.069 177.409 177.300 0.298 0.000 1.187 443 P CA 0.493 63.692 63.100 0.165 0.000 0.766 443 P CB 0.626 32.418 31.700 0.153 0.000 0.820 444 S N 0.800 116.660 115.700 0.266 0.000 2.707 444 S HA 0.256 4.929 4.470 0.338 0.000 0.276 444 S C 0.551 175.263 174.600 0.186 0.000 1.179 444 S CA -0.768 57.605 58.200 0.288 0.000 0.992 444 S CB 0.759 64.112 63.200 0.256 0.000 1.030 444 S HN 0.384 nan 8.310 nan 0.000 0.554 453 L N 1.902 123.147 121.223 0.037 0.000 2.289 453 L HA 0.772 5.315 4.340 0.338 0.000 0.285 453 L C 0.100 176.852 176.870 -0.196 0.000 1.049 453 L CA -0.336 54.516 54.840 0.020 0.000 0.804 453 L CB 1.207 43.346 42.059 0.133 0.000 1.195 453 L HN 0.475 nan 8.230 nan 0.000 0.428 454 N N 5.200 123.722 118.700 -0.297 0.000 2.918 454 N HA 0.365 5.308 4.740 0.338 0.000 0.270 454 N C -1.989 173.204 175.510 -0.529 0.000 1.536 454 N CA -1.627 51.108 53.050 -0.525 0.000 0.877 454 N CB 1.039 38.961 38.487 -0.942 0.000 1.190 454 N HN 0.303 nan 8.380 nan 0.000 0.492 455 P HA -0.106 nan 4.420 nan 0.000 0.218 455 P C 0.900 178.026 177.300 -0.289 0.000 1.149 455 P CA 0.760 63.564 63.100 -0.493 0.000 0.817 455 P CB 0.328 31.579 31.700 -0.748 0.000 0.785 456 A N 0.357 122.931 122.820 -0.409 0.000 2.067 456 A HA 0.144 4.667 4.320 0.338 0.000 0.219 456 A C 1.612 178.876 177.584 -0.533 0.000 1.158 456 A CA 0.831 52.476 52.037 -0.653 0.000 0.661 456 A CB -1.556 17.137 19.000 -0.512 0.000 0.801 456 A HN 0.324 nan 8.150 nan 0.000 0.452 457 G N -0.866 107.608 108.800 -0.544 0.000 2.720 457 G HA2 0.310 4.473 3.960 0.338 0.000 0.237 457 G HA3 0.310 4.473 3.960 0.338 0.000 0.237 457 G C 0.365 175.196 174.900 -0.116 0.000 1.239 457 G CA 0.559 45.377 45.100 -0.471 0.000 0.847 457 G HN 0.267 nan 8.290 nan 0.000 0.593 458 T N -1.501 113.049 114.554 -0.007 0.000 2.795 458 T HA 0.179 4.732 4.350 0.338 0.000 0.314 458 T C 1.344 176.109 174.700 0.109 0.000 1.069 458 T CA 0.380 62.466 62.100 -0.023 0.000 1.071 458 T CB 0.597 69.400 68.868 -0.107 0.000 0.988 458 T HN 1.058 nan 8.240 nan 0.000 0.543 459 V N 1.545 121.493 119.914 0.056 0.000 3.043 459 V HA 0.542 4.865 4.120 0.338 0.000 0.357 459 V C 0.375 176.532 176.094 0.104 0.000 1.372 459 V CA -0.542 61.812 62.300 0.090 0.000 1.214 459 V CB -0.743 31.081 31.823 0.002 0.000 1.224 459 V HN 0.660 nan 8.190 nan 0.000 0.507 460 R N 0.517 121.109 120.500 0.153 0.000 2.711 460 R HA 0.718 5.261 4.340 0.338 0.000 0.284 460 R C 0.729 177.198 176.300 0.282 0.000 0.968 460 R CA 0.017 56.215 56.100 0.164 0.000 0.924 460 R CB 1.769 32.135 30.300 0.111 0.000 1.162 460 R HN 0.495 nan 8.270 nan 0.000 0.465 461 G N 1.665 110.565 108.800 0.167 0.000 2.664 461 G HA2 -0.085 4.078 3.960 0.338 0.000 0.242 461 G HA3 -0.085 4.078 3.960 0.338 0.000 0.242 461 G C -0.412 174.397 174.900 -0.152 0.000 1.225 461 G CA -0.426 44.711 45.100 0.061 0.000 0.849 461 G HN 0.622 nan 8.290 nan 0.000 0.581 462 N N 0.995 119.273 118.700 -0.703 0.000 2.452 462 N HA 0.114 5.057 4.740 0.338 0.000 0.266 462 N C -1.042 174.139 175.510 -0.548 0.000 1.209 462 N CA -1.838 50.525 53.050 -1.144 0.000 0.929 462 N CB 1.639 39.346 38.487 -1.300 0.000 1.063 462 N HN 0.084 nan 8.380 nan 0.000 0.472 463 P HA -0.041 nan 4.420 nan 0.000 0.227 463 P C 0.112 177.235 177.300 -0.295 0.000 1.161 463 P CA 0.510 63.443 63.100 -0.277 0.000 0.788 463 P CB 0.212 31.827 31.700 -0.141 0.000 0.822 464 N N 1.127 119.649 118.700 -0.297 0.000 3.103 464 N HA -0.016 4.927 4.740 0.338 0.000 0.305 464 N C 1.072 176.411 175.510 -0.285 0.000 1.232 464 N CA 0.296 53.203 53.050 -0.237 0.000 1.190 464 N CB -0.582 37.796 38.487 -0.182 0.000 1.461 464 N HN 0.063 nan 8.380 nan 0.000 0.538 465 T N -1.583 112.742 114.554 -0.382 0.000 2.904 465 T HA -0.153 4.400 4.350 0.338 0.000 0.267 465 T C 1.408 175.974 174.700 -0.224 0.000 1.059 465 T CA 1.022 62.801 62.100 -0.535 0.000 1.137 465 T CB -0.169 68.172 68.868 -0.879 0.000 0.879 465 T HN 0.538 nan 8.240 nan 0.000 0.467 466 E N 1.149 121.251 120.200 -0.163 0.000 2.035 466 E HA -0.252 4.301 4.350 0.338 0.000 0.204 466 E C 2.158 178.726 176.600 -0.054 0.000 1.025 466 E CA 1.839 58.188 56.400 -0.084 0.000 0.835 466 E CB -0.645 29.010 29.700 -0.076 0.000 0.764 466 E HN 0.539 nan 8.360 nan 0.000 0.457 467 S N -0.818 114.843 115.700 -0.066 0.000 2.575 467 S HA 0.310 4.983 4.470 0.338 0.000 0.215 467 S C 0.130 174.703 174.600 -0.045 0.000 0.966 467 S CA 0.173 58.345 58.200 -0.046 0.000 0.911 467 S CB 0.184 63.356 63.200 -0.046 0.000 0.780 467 S HN 0.475 nan 8.310 nan 0.000 0.514 468 A N 1.022 123.810 122.820 -0.054 0.000 2.295 468 A HA 0.827 5.350 4.320 0.338 0.000 0.318 468 A C 0.193 177.778 177.584 0.001 0.000 1.134 468 A CA -0.362 51.643 52.037 -0.054 0.000 0.827 468 A CB 0.694 19.615 19.000 -0.131 0.000 1.136 468 A HN 0.538 nan 8.150 nan 0.000 0.493 469 A N 0.637 123.436 122.820 -0.035 0.000 2.488 469 A HA 0.543 5.066 4.320 0.338 0.000 0.249 469 A C 0.441 177.969 177.584 -0.095 0.000 1.083 469 A CA 0.458 52.470 52.037 -0.041 0.000 0.768 469 A CB -0.257 18.722 19.000 -0.034 0.000 1.017 469 A HN 2.127 nan 8.150 nan 0.000 0.496 470 A N 3.711 126.444 122.820 -0.145 0.000 2.310 470 A HA 0.606 5.129 4.320 0.338 0.000 0.304 470 A C -0.375 177.048 177.584 -0.270 0.000 1.231 470 A CA -0.449 51.370 52.037 -0.363 0.000 0.799 470 A CB 0.475 19.085 19.000 -0.650 0.000 1.162 470 A HN 0.798 nan 8.150 nan 0.000 0.486 471 L N 3.001 124.061 121.223 -0.271 0.000 2.350 471 L HA 0.502 5.045 4.340 0.338 0.000 0.275 471 L C -0.336 176.397 176.870 -0.228 0.000 1.099 471 L CA -0.733 53.982 54.840 -0.207 0.000 0.808 471 L CB 1.610 43.500 42.059 -0.282 0.000 1.149 471 L HN 0.545 nan 8.230 nan 0.000 0.442 472 V N 2.734 122.569 119.914 -0.132 0.000 2.459 472 V HA 0.618 4.941 4.120 0.338 0.000 0.295 472 V C -0.118 175.944 176.094 -0.053 0.000 1.029 472 V CA -0.698 61.546 62.300 -0.094 0.000 0.874 472 V CB 1.402 33.199 31.823 -0.043 0.000 0.985 472 V HN 0.698 nan 8.190 nan 0.000 0.438 473 I N 1.179 121.727 120.570 -0.037 0.000 3.042 473 I HA 0.737 5.110 4.170 0.338 0.000 0.310 473 I C -1.610 174.576 176.117 0.114 0.000 1.117 473 I CA -1.226 60.091 61.300 0.028 0.000 1.003 473 I CB 2.653 40.649 38.000 -0.007 0.000 1.228 473 I HN 0.616 nan 8.210 nan 0.000 0.443 474 Y N 3.724 124.033 120.300 0.015 0.000 2.363 474 Y HA 0.623 5.376 4.550 0.338 0.000 0.325 474 Y C -1.312 174.593 175.900 0.008 0.000 0.984 474 Y CA -0.672 57.435 58.100 0.011 0.000 1.248 474 Y CB 1.430 39.890 38.460 -0.000 0.000 1.116 474 Y HN 0.540 nan 8.280 nan 0.000 0.470 475 L N 8.993 130.074 121.223 -0.237 0.000 2.361 475 L HA 0.332 4.875 4.340 0.338 0.000 0.278 475 L C -2.252 174.487 176.870 -0.219 0.000 1.113 475 L CA -1.708 53.042 54.840 -0.149 0.000 0.849 475 L CB 0.537 42.541 42.059 -0.092 0.000 1.155 475 L HN 0.527 nan 8.230 nan 0.000 0.452 476 P HA 0.128 nan 4.420 nan 0.000 0.288 476 P C -0.988 176.342 177.300 0.050 0.000 1.363 476 P CA -0.791 62.388 63.100 0.132 0.000 0.837 476 P CB 0.428 32.183 31.700 0.090 0.000 0.981 477 E N 1.990 122.223 120.200 0.055 0.000 2.603 477 E HA -0.015 4.538 4.350 0.338 0.000 0.242 477 E C 0.678 177.291 176.600 0.021 0.000 1.083 477 E CA -0.377 56.033 56.400 0.016 0.000 0.950 477 E CB 0.083 29.794 29.700 0.018 0.000 0.952 477 E HN 0.295 nan 8.360 nan 0.000 0.498 478 V N 0.695 120.612 119.914 0.004 0.000 3.513 478 V HA 0.428 4.751 4.120 0.338 0.000 0.311 478 V C 0.458 176.550 176.094 -0.003 0.000 1.218 478 V CA 0.497 62.799 62.300 0.004 0.000 1.266 478 V CB -1.634 30.192 31.823 0.007 0.000 1.074 478 V HN 0.817 nan 8.190 nan 0.000 0.421 483 V N -1.898 117.829 119.914 -0.312 0.000 2.588 483 V HA 0.809 5.132 4.120 0.338 0.000 0.304 483 V C -1.307 174.624 176.094 -0.273 0.000 1.042 483 V CA -0.657 61.536 62.300 -0.179 0.000 0.877 483 V CB 1.496 33.302 31.823 -0.028 0.000 0.996 483 V HN 0.466 nan 8.190 nan 0.000 0.425 484 Y N 2.565 122.958 120.300 0.155 0.000 2.524 484 Y HA 0.639 5.392 4.550 0.338 0.000 0.344 484 Y C -0.129 175.864 175.900 0.155 0.000 1.012 484 Y CA -1.238 56.967 58.100 0.176 0.000 1.068 484 Y CB 1.947 40.465 38.460 0.097 0.000 1.249 484 Y HN 0.747 nan 8.280 nan 0.000 0.468 485 F N 4.237 124.262 119.950 0.125 0.000 2.529 485 F HA 0.271 5.001 4.527 0.339 0.000 0.365 485 F C -2.023 173.804 175.800 0.045 0.000 1.102 485 F CA -1.701 56.251 58.000 -0.080 0.000 1.271 485 F CB 0.453 39.186 39.000 -0.445 0.000 1.120 485 F HN 0.262 nan 8.300 nan 0.000 0.579 486 P HA 0.200 nan 4.420 nan 0.000 0.271 486 P C -1.094 176.288 177.300 0.137 0.000 1.216 486 P CA -0.252 62.834 63.100 -0.024 0.000 0.771 486 P CB 0.743 32.354 31.700 -0.148 0.000 0.864 487 A N 2.689 125.575 122.820 0.109 0.000 2.466 487 A HA 0.001 4.524 4.320 0.338 0.000 0.238 487 A C 1.356 179.023 177.584 0.138 0.000 1.074 487 A CA -0.189 51.925 52.037 0.128 0.000 0.774 487 A CB -0.324 18.716 19.000 0.067 0.000 1.015 487 A HN 0.629 nan 8.150 nan 0.000 0.498 488 L N 1.075 122.401 121.223 0.172 0.000 2.189 488 L HA -0.211 4.332 4.340 0.338 0.000 0.214 488 L C 2.436 179.342 176.870 0.060 0.000 1.097 488 L CA 2.700 57.611 54.840 0.119 0.000 0.764 488 L CB -0.985 41.143 42.059 0.116 0.000 0.900 488 L HN 0.981 nan 8.230 nan 0.000 0.436 489 E N -1.312 118.920 120.200 0.053 0.000 2.070 489 E HA -0.261 4.292 4.350 0.338 0.000 0.197 489 E C 1.939 178.544 176.600 0.008 0.000 1.004 489 E CA 1.427 57.844 56.400 0.028 0.000 0.805 489 E CB -0.428 29.284 29.700 0.021 0.000 0.744 489 E HN 0.314 nan 8.360 nan 0.000 0.451 490 K N 0.496 120.900 120.400 0.006 0.000 2.057 490 K HA -0.072 4.451 4.320 0.338 0.000 0.207 490 K C 2.261 178.845 176.600 -0.027 0.000 1.049 490 K CA 1.176 57.448 56.287 -0.024 0.000 0.931 490 K CB -0.231 32.251 32.500 -0.029 0.000 0.714 490 K HN 0.328 nan 8.250 nan 0.000 0.440 491 I N 1.106 121.685 120.570 0.015 0.000 2.361 491 I HA -0.238 4.135 4.170 0.338 0.000 0.251 491 I C 2.435 178.555 176.117 0.005 0.000 1.133 491 I CA 0.942 62.259 61.300 0.029 0.000 1.413 491 I CB -0.841 37.209 38.000 0.084 0.000 1.073 491 I HN 0.070 nan 8.210 nan 0.000 0.424 492 L N 0.656 121.886 121.223 0.011 0.000 2.046 492 L HA -0.205 4.338 4.340 0.338 0.000 0.208 492 L C 2.521 179.305 176.870 -0.143 0.000 1.077 492 L CA 1.527 56.374 54.840 0.011 0.000 0.747 492 L CB -0.252 41.848 42.059 0.069 0.000 0.896 492 L HN 0.119 nan 8.230 nan 0.000 0.432 493 E N -0.573 119.560 120.200 -0.111 0.000 2.017 493 E HA -0.146 4.407 4.350 0.338 0.000 0.193 493 E C 0.793 177.282 176.600 -0.185 0.000 0.997 493 E CA 0.586 56.897 56.400 -0.148 0.000 0.804 493 E CB -0.304 29.328 29.700 -0.112 0.000 0.757 493 E HN 0.132 nan 8.360 nan 0.000 0.448 512 R N 0.951 121.410 120.500 -0.068 0.000 2.102 512 R HA 0.251 4.794 4.340 0.338 0.000 0.208 512 R C 1.341 177.539 176.300 -0.170 0.000 1.131 512 R CA 1.500 57.529 56.100 -0.118 0.000 1.054 512 R CB 0.163 30.383 30.300 -0.134 0.000 0.954 512 R HN 0.574 nan 8.270 nan 0.000 0.465 513 E N 0.894 120.990 120.200 -0.174 0.000 2.106 513 E HA -0.174 4.379 4.350 0.338 0.000 0.192 513 E C 1.926 178.463 176.600 -0.105 0.000 0.984 513 E CA 0.896 57.182 56.400 -0.190 0.000 0.806 513 E CB -0.208 29.429 29.700 -0.105 0.000 0.750 513 E HN 0.105 nan 8.360 nan 0.000 0.458 514 I N 1.707 122.237 120.570 -0.067 0.000 2.194 514 I HA -0.269 4.104 4.170 0.338 0.000 0.246 514 I C 2.120 178.205 176.117 -0.053 0.000 1.093 514 I CA 1.220 62.494 61.300 -0.043 0.000 1.355 514 I CB -0.046 37.940 38.000 -0.023 0.000 1.046 514 I HN 0.105 nan 8.210 nan 0.000 0.413 515 L N -1.150 120.029 121.223 -0.072 0.000 2.179 515 L HA 0.100 4.643 4.340 0.338 0.000 0.208 515 L C 1.563 178.382 176.870 -0.084 0.000 1.096 515 L CA 1.131 55.922 54.840 -0.082 0.000 0.779 515 L CB -1.218 40.782 42.059 -0.097 0.000 0.922 515 L HN 0.110 nan 8.230 nan 0.000 0.443 516 E N 2.549 122.687 120.200 -0.102 0.000 1.999 516 E HA 0.112 4.665 4.350 0.338 0.000 0.296 516 E C -0.406 176.155 176.600 -0.065 0.000 1.187 516 E CA -0.247 56.090 56.400 -0.106 0.000 1.229 516 E CB 0.023 29.603 29.700 -0.199 0.000 1.131 516 E HN 0.413 nan 8.360 nan 0.000 0.478 523 L N -1.432 119.705 121.223 -0.143 0.000 2.333 523 L HA 0.671 5.214 4.340 0.338 0.000 0.263 523 L C -0.566 176.238 176.870 -0.110 0.000 1.014 523 L CA -1.118 53.605 54.840 -0.194 0.000 0.820 523 L CB 0.905 42.894 42.059 -0.117 0.000 1.352 523 L HN 0.144 nan 8.230 nan 0.000 0.421 524 Y N 0.430 120.734 120.300 0.007 0.000 2.296 524 Y HA 0.075 4.828 4.550 0.338 0.000 0.343 524 Y C 1.518 177.457 175.900 0.065 0.000 1.292 524 Y CA 0.005 58.145 58.100 0.067 0.000 1.490 524 Y CB 0.540 39.103 38.460 0.171 0.000 1.359 524 Y HN 0.773 nan 8.280 nan 0.000 0.599 525 E N 0.518 120.902 120.200 0.306 0.000 2.049 525 E HA -0.300 4.253 4.350 0.338 0.000 0.198 525 E C 2.023 178.731 176.600 0.180 0.000 1.007 525 E CA 2.366 58.873 56.400 0.177 0.000 0.809 525 E CB -0.326 29.448 29.700 0.124 0.000 0.749 525 E HN 0.864 nan 8.360 nan 0.000 0.450 526 H N -0.982 118.136 119.070 0.081 0.000 2.353 526 H HA 0.023 4.782 4.556 0.338 0.000 0.300 526 H C 1.916 177.289 175.328 0.075 0.000 1.090 526 H CA 1.269 57.356 56.048 0.066 0.000 1.327 526 H CB -0.243 29.551 29.762 0.052 0.000 1.383 526 H HN 0.216 nan 8.280 nan 0.000 0.508 527 E N 1.237 121.145 120.200 -0.486 0.000 2.070 527 E HA -0.209 4.344 4.350 0.338 0.000 0.197 527 E C 2.161 178.689 176.600 -0.121 0.000 1.004 527 E CA 1.494 57.671 56.400 -0.373 0.000 0.805 527 E CB -0.077 29.464 29.700 -0.264 0.000 0.744 527 E HN 0.563 nan 8.360 nan 0.000 0.451 528 K N 0.606 120.983 120.400 -0.037 0.000 2.074 528 K HA -0.198 4.325 4.320 0.338 0.000 0.209 528 K C 1.784 178.422 176.600 0.064 0.000 1.048 528 K CA 1.714 58.012 56.287 0.018 0.000 0.926 528 K CB -0.072 32.442 32.500 0.023 0.000 0.713 528 K HN 0.096 nan 8.250 nan 0.000 0.444 529 D N 0.713 121.151 120.400 0.064 0.000 2.117 529 D HA -0.160 4.683 4.640 0.338 0.000 0.197 529 D C 1.781 178.152 176.300 0.119 0.000 0.987 529 D CA 0.734 54.802 54.000 0.112 0.000 0.829 529 D CB -0.251 40.611 40.800 0.103 0.000 0.961 529 D HN 0.038 nan 8.370 nan 0.000 0.460 530 L N 0.845 122.098 121.223 0.050 0.000 1.976 530 L HA -0.145 4.398 4.340 0.338 0.000 0.209 530 L C 2.228 179.117 176.870 0.032 0.000 1.071 530 L CA 1.381 56.238 54.840 0.028 0.000 0.746 530 L CB -0.775 41.272 42.059 -0.020 0.000 0.890 530 L HN -0.102 nan 8.230 nan 0.000 0.432 531 V N -0.366 119.565 119.914 0.029 0.000 2.250 531 V HA -0.398 3.925 4.120 0.338 0.000 0.253 531 V C 2.281 178.425 176.094 0.083 0.000 1.065 531 V CA 2.602 64.927 62.300 0.043 0.000 1.039 531 V CB -1.337 30.521 31.823 0.059 0.000 0.647 531 V HN 0.791 nan 8.190 nan 0.000 0.446 532 W N 1.107 122.384 121.300 -0.038 0.000 2.402 532 W HA -0.198 4.665 4.660 0.338 0.000 0.286 532 W C 2.464 178.958 176.519 -0.043 0.000 1.221 532 W CA 1.974 59.289 57.345 -0.050 0.000 1.257 532 W CB -0.050 29.373 29.460 -0.060 0.000 1.120 532 W HN 0.262 nan 8.180 nan 0.000 0.551 533 K N 0.633 120.993 120.400 -0.066 0.000 2.103 533 K HA -0.141 4.381 4.320 0.338 0.000 0.204 533 K C 1.779 178.290 176.600 -0.149 0.000 1.052 533 K CA 1.556 57.771 56.287 -0.120 0.000 0.945 533 K CB -0.707 31.800 32.500 0.011 0.000 0.722 533 K HN -0.055 nan 8.250 nan 0.000 0.443 534 M N 1.654 121.197 119.600 -0.095 0.000 2.628 534 M HA 0.054 4.737 4.480 0.338 0.000 0.232 534 M C 1.268 177.516 176.300 -0.087 0.000 1.128 534 M CA 0.556 55.830 55.300 -0.042 0.000 1.040 534 M CB -0.559 32.040 32.600 -0.001 0.000 1.608 534 M HN 0.231 nan 8.290 nan 0.000 0.507 535 R N -0.254 120.076 120.500 -0.283 0.000 2.154 535 R HA -0.205 4.338 4.340 0.338 0.000 0.248 535 R C 1.288 177.434 176.300 -0.256 0.000 1.155 535 R CA 2.066 57.971 56.100 -0.326 0.000 0.979 535 R CB -1.105 28.799 30.300 -0.660 0.000 0.869 535 R HN 0.386 nan 8.270 nan 0.000 0.452 536 H N 0.650 119.654 119.070 -0.111 0.000 2.423 536 H HA 0.027 4.786 4.556 0.338 0.000 0.297 536 H C 1.686 176.972 175.328 -0.070 0.000 1.075 536 H CA 1.340 57.328 56.048 -0.100 0.000 1.342 536 H CB 0.112 29.821 29.762 -0.088 0.000 1.395 536 H HN 0.338 nan 8.280 nan 0.000 0.530 537 E N 0.667 120.944 120.200 0.129 0.000 2.285 537 E HA -0.053 4.500 4.350 0.338 0.000 0.194 537 E C 2.270 179.028 176.600 0.263 0.000 0.997 537 E CA 0.408 56.932 56.400 0.207 0.000 0.845 537 E CB -0.144 29.682 29.700 0.211 0.000 0.782 537 E HN 0.343 nan 8.360 nan 0.000 0.491 538 V N 1.604 121.631 119.914 0.188 0.000 2.283 538 V HA -0.246 4.077 4.120 0.338 0.000 0.243 538 V C 2.693 178.822 176.094 0.057 0.000 1.039 538 V CA 1.838 64.299 62.300 0.269 0.000 1.016 538 V CB -0.657 31.314 31.823 0.247 0.000 0.650 538 V HN 0.219 nan 8.190 nan 0.000 0.449 539 Q N 0.018 119.637 119.800 -0.302 0.000 2.112 539 Q HA -0.290 4.253 4.340 0.338 0.000 0.206 539 Q C 2.231 177.810 176.000 -0.702 0.000 0.987 539 Q CA 2.388 57.533 55.803 -1.098 0.000 0.858 539 Q CB -0.041 28.152 28.738 -0.908 0.000 0.905 539 Q HN 0.749 nan 8.270 nan 0.000 0.420 540 E N -1.547 118.407 120.200 -0.410 0.000 2.112 540 E HA -0.126 4.427 4.350 0.338 0.000 0.190 540 E C 1.401 177.619 176.600 -0.635 0.000 0.979 540 E CA 1.020 57.124 56.400 -0.493 0.000 0.814 540 E CB 0.152 29.580 29.700 -0.454 0.000 0.762 540 E HN 0.522 nan 8.360 nan 0.000 0.460 541 H N -2.195 116.719 119.070 -0.260 0.000 2.874 541 H HA 0.201 4.960 4.556 0.338 0.000 0.264 541 H C -0.323 174.470 175.328 -0.893 0.000 1.007 541 H CA 0.125 55.836 56.048 -0.562 0.000 1.207 541 H CB 0.694 30.069 29.762 -0.645 0.000 1.487 541 H HN -0.014 nan 8.280 nan 0.000 0.505 542 F N 0.375 120.347 119.950 0.037 0.000 2.541 542 F HA 0.259 4.989 4.527 0.338 0.000 0.368 542 F C -1.986 173.892 175.800 0.130 0.000 1.530 542 F CA -1.713 56.333 58.000 0.076 0.000 1.102 542 F CB 1.287 40.345 39.000 0.098 0.000 1.382 542 F HN -0.043 nan 8.300 nan 0.000 0.541 543 P HA -0.196 nan 4.420 nan 0.000 0.222 543 P C 0.868 178.531 177.300 0.606 0.000 1.142 543 P CA 1.478 64.769 63.100 0.319 0.000 0.788 543 P CB 0.347 32.064 31.700 0.029 0.000 0.767 544 E N -0.824 119.590 120.200 0.356 0.000 2.489 544 E HA 0.141 4.694 4.350 0.338 0.000 0.193 544 E C 1.698 178.417 176.600 0.198 0.000 1.057 544 E CA 0.103 56.652 56.400 0.248 0.000 0.866 544 E CB -0.110 29.696 29.700 0.177 0.000 0.916 544 E HN 0.177 nan 8.360 nan 0.000 0.500 545 A N 0.381 123.361 122.820 0.267 0.000 2.308 545 A HA 0.048 4.571 4.320 0.338 0.000 0.217 545 A C 1.709 179.352 177.584 0.099 0.000 1.216 545 A CA -0.151 51.989 52.037 0.171 0.000 0.864 545 A CB -0.146 18.954 19.000 0.167 0.000 0.902 545 A HN 0.254 nan 8.150 nan 0.000 0.499 546 L N 0.114 121.355 121.223 0.030 0.000 2.113 546 L HA -0.321 4.222 4.340 0.338 0.000 0.221 546 L C 2.479 179.159 176.870 -0.318 0.000 1.084 546 L CA 2.621 57.175 54.840 -0.477 0.000 0.787 546 L CB -0.669 40.761 42.059 -1.048 0.000 0.893 546 L HN 0.401 nan 8.230 nan 0.000 0.440 547 A N -0.904 121.794 122.820 -0.203 0.000 1.873 547 A HA -0.222 4.301 4.320 0.338 0.000 0.215 547 A C 2.490 180.131 177.584 0.096 0.000 1.186 547 A CA 1.574 53.550 52.037 -0.103 0.000 0.616 547 A CB -0.628 18.291 19.000 -0.136 0.000 0.823 547 A HN 0.492 nan 8.150 nan 0.000 0.442 548 R N -0.935 119.604 120.500 0.065 0.000 2.249 548 R HA -0.107 4.436 4.340 0.338 0.000 0.230 548 R C 1.807 178.160 176.300 0.089 0.000 1.121 548 R CA 1.436 57.583 56.100 0.079 0.000 0.997 548 R CB -0.257 30.070 30.300 0.044 0.000 0.867 548 R HN 0.523 nan 8.270 nan 0.000 0.465 549 L N -0.546 120.726 121.223 0.082 0.000 2.253 549 L HA 0.110 4.653 4.340 0.338 0.000 0.205 549 L C 1.596 178.559 176.870 0.156 0.000 1.078 549 L CA 1.123 56.033 54.840 0.116 0.000 0.805 549 L CB -0.151 41.967 42.059 0.098 0.000 0.963 549 L HN 0.119 nan 8.230 nan 0.000 0.459 550 L N -0.388 120.926 121.223 0.152 0.000 2.043 550 L HA -0.253 4.290 4.340 0.338 0.000 0.212 550 L C 2.474 179.622 176.870 0.463 0.000 1.075 550 L CA 1.695 56.736 54.840 0.336 0.000 0.752 550 L CB -0.662 41.612 42.059 0.358 0.000 0.891 550 L HN 0.334 nan 8.230 nan 0.000 0.432 551 L N -0.576 120.838 121.223 0.319 0.000 2.275 551 L HA -0.125 4.418 4.340 0.338 0.000 0.215 551 L C 2.450 179.410 176.870 0.149 0.000 1.119 551 L CA 0.641 55.612 54.840 0.218 0.000 0.790 551 L CB -0.590 41.534 42.059 0.108 0.000 0.919 551 L HN 0.275 nan 8.230 nan 0.000 0.443 552 V N -3.520 116.461 119.914 0.112 0.000 2.951 552 V HA -0.003 4.320 4.120 0.338 0.000 0.255 552 V C 1.520 177.530 176.094 -0.139 0.000 1.088 552 V CA 0.586 62.903 62.300 0.027 0.000 1.109 552 V CB -0.762 31.106 31.823 0.074 0.000 0.724 552 V HN 0.458 nan 8.190 nan 0.000 0.471 553 T N 1.301 115.738 114.554 -0.194 0.000 2.903 553 T HA 0.109 4.662 4.350 0.338 0.000 0.314 553 T C 0.195 174.390 174.700 -0.841 0.000 1.078 553 T CA -0.281 61.392 62.100 -0.712 0.000 1.114 553 T CB 0.373 68.763 68.868 -0.796 0.000 0.987 553 T HN 0.461 nan 8.240 nan 0.000 0.548 554 K N 3.958 123.798 120.400 -0.934 0.000 2.206 554 K HA 0.098 4.621 4.320 0.338 0.000 0.268 554 K C 0.311 176.562 176.600 -0.582 0.000 1.111 554 K CA -0.121 55.798 56.287 -0.612 0.000 0.955 554 K CB 0.161 32.347 32.500 -0.523 0.000 1.406 554 K HN 0.811 nan 8.250 nan 0.000 0.427 555 W N 1.405 122.562 121.300 -0.238 0.000 2.538 555 W HA -0.147 4.716 4.660 0.339 0.000 0.254 555 W C 1.374 177.741 176.519 -0.253 0.000 1.249 555 W CA 0.480 57.643 57.345 -0.304 0.000 1.253 555 W CB -0.131 29.055 29.460 -0.456 0.000 1.130 555 W HN 0.534 nan 8.180 nan 0.000 0.618 556 N N -0.158 118.510 118.700 -0.053 0.000 2.204 556 N HA 0.012 4.955 4.740 0.338 0.000 0.219 556 N C -0.410 175.071 175.510 -0.049 0.000 1.151 556 N CA 0.147 53.178 53.050 -0.032 0.000 0.867 556 N CB -0.056 38.414 38.487 -0.028 0.000 1.043 556 N HN -0.182 nan 8.380 nan 0.000 0.516 557 K N 1.449 121.776 120.400 -0.121 0.000 2.507 557 K HA 0.146 4.669 4.320 0.338 0.000 0.253 557 K C 0.885 177.372 176.600 -0.187 0.000 0.969 557 K CA -0.530 55.652 56.287 -0.176 0.000 0.908 557 K CB 0.867 33.223 32.500 -0.239 0.000 1.127 557 K HN 0.275 nan 8.250 nan 0.000 0.437 558 H N 1.653 120.726 119.070 0.005 0.000 2.352 558 H HA -0.105 4.654 4.556 0.338 0.000 0.299 558 H C 0.623 175.967 175.328 0.027 0.000 1.097 558 H CA 1.529 57.604 56.048 0.045 0.000 1.311 558 H CB 0.276 30.087 29.762 0.083 0.000 1.377 558 H HN 0.566 nan 8.280 nan 0.000 0.504 559 E N 0.868 120.811 120.200 -0.428 0.000 2.070 559 E HA -0.179 4.374 4.350 0.338 0.000 0.197 559 E C 1.881 178.455 176.600 -0.043 0.000 1.004 559 E CA 1.712 58.022 56.400 -0.150 0.000 0.805 559 E CB 0.036 29.605 29.700 -0.219 0.000 0.744 559 E HN 0.576 nan 8.360 nan 0.000 0.451 560 D N -0.169 120.159 120.400 -0.120 0.000 2.144 560 D HA -0.107 4.736 4.640 0.338 0.000 0.200 560 D C 2.031 178.277 176.300 -0.091 0.000 0.978 560 D CA 0.590 54.535 54.000 -0.092 0.000 0.833 560 D CB -0.332 40.214 40.800 -0.424 0.000 0.961 560 D HN 0.025 nan 8.370 nan 0.000 0.470 561 V N 1.695 121.500 119.914 -0.182 0.000 2.233 561 V HA -0.292 4.031 4.120 0.338 0.000 0.247 561 V C 2.604 178.721 176.094 0.039 0.000 1.050 561 V CA 1.963 64.169 62.300 -0.155 0.000 1.010 561 V CB -1.060 30.753 31.823 -0.016 0.000 0.637 561 V HN 0.221 nan 8.190 nan 0.000 0.444 562 A N -0.715 122.166 122.820 0.101 0.000 1.915 562 A HA -0.405 4.118 4.320 0.338 0.000 0.220 562 A C 2.157 179.814 177.584 0.122 0.000 1.198 562 A CA 2.723 54.828 52.037 0.114 0.000 0.647 562 A CB -0.658 18.400 19.000 0.097 0.000 0.825 562 A HN 0.691 nan 8.150 nan 0.000 0.456 563 Q N -2.193 117.689 119.800 0.137 0.000 2.123 563 Q HA -0.122 4.421 4.340 0.338 0.000 0.199 563 Q C 2.146 178.250 176.000 0.173 0.000 0.966 563 Q CA 1.523 57.431 55.803 0.176 0.000 0.845 563 Q CB -0.257 28.586 28.738 0.176 0.000 0.907 563 Q HN 0.721 nan 8.270 nan 0.000 0.439 564 M N 0.571 120.280 119.600 0.181 0.000 2.059 564 M HA -0.162 4.521 4.480 0.338 0.000 0.259 564 M C 1.589 177.934 176.300 0.075 0.000 1.072 564 M CA 1.567 56.942 55.300 0.124 0.000 1.117 564 M CB -0.541 32.084 32.600 0.042 0.000 1.320 564 M HN 0.139 nan 8.290 nan 0.000 0.408 565 L N -0.232 121.037 121.223 0.076 0.000 1.991 565 L HA -0.280 4.263 4.340 0.338 0.000 0.221 565 L C 2.495 179.390 176.870 0.042 0.000 1.079 565 L CA 2.305 57.166 54.840 0.036 0.000 0.778 565 L CB -2.147 39.920 42.059 0.014 0.000 0.893 565 L HN 0.563 nan 8.230 nan 0.000 0.437 566 Y N -0.277 120.012 120.300 -0.018 0.000 2.139 566 Y HA -0.295 4.458 4.550 0.338 0.000 0.282 566 Y C 2.401 178.316 175.900 0.024 0.000 1.179 566 Y CA 1.676 59.772 58.100 -0.008 0.000 1.161 566 Y CB -0.432 38.029 38.460 0.002 0.000 0.970 566 Y HN 0.143 nan 8.280 nan 0.000 0.511 567 L N -0.980 120.187 121.223 -0.092 0.000 2.046 567 L HA -0.213 4.330 4.340 0.338 0.000 0.208 567 L C 2.447 179.354 176.870 0.062 0.000 1.077 567 L CA 1.298 56.093 54.840 -0.075 0.000 0.747 567 L CB -0.810 41.300 42.059 0.086 0.000 0.896 567 L HN 0.320 nan 8.230 nan 0.000 0.432 568 L N -0.582 120.667 121.223 0.044 0.000 2.131 568 L HA -0.206 4.337 4.340 0.338 0.000 0.210 568 L C 2.433 179.338 176.870 0.059 0.000 1.092 568 L CA 1.562 56.395 54.840 -0.012 0.000 0.759 568 L CB -0.576 41.387 42.059 -0.161 0.000 0.903 568 L HN 0.244 nan 8.230 nan 0.000 0.435 569 C N -0.474 118.829 119.300 0.005 0.000 2.419 569 C HA -0.043 4.620 4.460 0.338 0.000 0.283 569 C C 2.334 177.348 174.990 0.040 0.000 1.373 569 C CA 1.057 60.087 59.018 0.021 0.000 1.781 569 C CB -1.325 26.393 27.740 -0.037 0.000 1.886 569 C HN 0.792 nan 8.230 nan 0.000 0.520 570 S N -2.572 113.126 115.700 -0.003 0.000 2.664 570 S HA 0.124 4.797 4.470 0.338 0.000 0.245 570 S C -0.131 174.491 174.600 0.036 0.000 1.019 570 S CA -0.436 57.757 58.200 -0.012 0.000 0.996 570 S CB -0.262 62.862 63.200 -0.127 0.000 0.878 570 S HN 0.621 nan 8.310 nan 0.000 0.493 571 W N 4.812 126.113 121.300 0.001 0.000 2.253 571 W HA 0.302 5.165 4.660 0.339 0.000 0.322 571 W C -2.651 173.975 176.519 0.179 0.000 1.342 571 W CA -1.930 55.432 57.345 0.028 0.000 1.218 571 W CB 0.676 30.055 29.460 -0.136 0.000 1.205 571 W HN 0.138 nan 8.180 nan 0.000 0.551 572 P HA -0.014 nan 4.420 nan 0.000 0.270 572 P C -0.421 177.131 177.300 0.419 0.000 1.223 572 P CA 0.437 63.648 63.100 0.184 0.000 0.785 572 P CB 0.794 32.505 31.700 0.019 0.000 0.923 573 E N 0.235 120.535 120.200 0.166 0.000 2.418 573 E HA 0.148 4.701 4.350 0.338 0.000 0.261 573 E C -0.155 176.516 176.600 0.118 0.000 1.070 573 E CA -0.039 56.367 56.400 0.010 0.000 0.931 573 E CB 0.225 29.863 29.700 -0.103 0.000 0.954 573 E HN 0.328 nan 8.360 nan 0.000 0.439 574 L N 2.760 124.022 121.223 0.065 0.000 2.313 574 L HA 0.469 5.012 4.340 0.338 0.000 0.268 574 L C -2.231 174.656 176.870 0.029 0.000 1.010 574 L CA -2.442 52.464 54.840 0.110 0.000 0.814 574 L CB 1.365 43.530 42.059 0.175 0.000 1.304 574 L HN 0.294 nan 8.230 nan 0.000 0.441 575 P HA 0.023 nan 4.420 nan 0.000 0.269 575 P C 0.895 178.193 177.300 -0.004 0.000 1.215 575 P CA -0.231 62.882 63.100 0.022 0.000 0.780 575 P CB 0.836 32.559 31.700 0.038 0.000 0.898 576 V N 2.365 122.278 119.914 -0.002 0.000 2.278 576 V HA -0.263 4.060 4.120 0.338 0.000 0.251 576 V C 2.186 178.246 176.094 -0.056 0.000 1.062 576 V CA 2.056 64.346 62.300 -0.016 0.000 1.038 576 V CB -1.001 30.844 31.823 0.037 0.000 0.646 576 V HN 0.536 nan 8.190 nan 0.000 0.447 577 L N -0.056 121.151 121.223 -0.026 0.000 2.012 577 L HA -0.153 4.390 4.340 0.338 0.000 0.210 577 L C 2.539 179.359 176.870 -0.084 0.000 1.073 577 L CA 2.499 57.329 54.840 -0.017 0.000 0.748 577 L CB -0.732 41.367 42.059 0.066 0.000 0.891 577 L HN 0.341 nan 8.230 nan 0.000 0.431 578 S N -0.045 115.618 115.700 -0.061 0.000 2.356 578 S HA -0.163 4.510 4.470 0.338 0.000 0.223 578 S C 2.123 176.609 174.600 -0.189 0.000 1.032 578 S CA 1.118 59.250 58.200 -0.114 0.000 1.005 578 S CB -0.792 62.394 63.200 -0.023 0.000 0.867 578 S HN 0.673 nan 8.310 nan 0.000 0.449 579 A N 1.656 124.396 122.820 -0.134 0.000 1.908 579 A HA -0.065 4.458 4.320 0.338 0.000 0.218 579 A C 2.127 179.592 177.584 -0.198 0.000 1.181 579 A CA 1.288 53.236 52.037 -0.148 0.000 0.627 579 A CB -0.870 18.053 19.000 -0.128 0.000 0.818 579 A HN 0.455 nan 8.150 nan 0.000 0.445 580 L N -0.930 120.161 121.223 -0.221 0.000 2.127 580 L HA -0.230 4.313 4.340 0.338 0.000 0.211 580 L C 2.645 179.351 176.870 -0.273 0.000 1.089 580 L CA 1.822 56.524 54.840 -0.231 0.000 0.757 580 L CB -0.388 41.514 42.059 -0.261 0.000 0.899 580 L HN 0.622 nan 8.230 nan 0.000 0.434 581 E N 0.442 120.359 120.200 -0.472 0.000 2.072 581 E HA -0.205 4.348 4.350 0.338 0.000 0.191 581 E C 2.310 178.734 176.600 -0.295 0.000 0.985 581 E CA 0.829 56.944 56.400 -0.475 0.000 0.801 581 E CB 0.012 29.322 29.700 -0.650 0.000 0.750 581 E HN 0.468 nan 8.360 nan 0.000 0.452 582 L N 0.790 121.746 121.223 -0.446 0.000 2.362 582 L HA -0.119 4.424 4.340 0.338 0.000 0.219 582 L C 2.175 178.898 176.870 -0.245 0.000 1.134 582 L CA 0.365 54.799 54.840 -0.677 0.000 0.807 582 L CB -0.125 41.652 42.059 -0.470 0.000 0.927 582 L HN 0.260 nan 8.230 nan 0.000 0.447 583 L N -0.918 120.259 121.223 -0.077 0.000 2.465 583 L HA -0.062 4.481 4.340 0.338 0.000 0.224 583 L C 0.807 177.785 176.870 0.180 0.000 1.145 583 L CA -0.004 54.867 54.840 0.052 0.000 0.834 583 L CB -0.421 41.652 42.059 0.023 0.000 0.944 583 L HN 0.205 nan 8.230 nan 0.000 0.451 584 D N -0.558 119.998 120.400 0.260 0.000 2.382 584 D HA -0.119 4.724 4.640 0.338 0.000 0.240 584 D C 0.844 177.184 176.300 0.067 0.000 1.146 584 D CA -0.045 54.096 54.000 0.234 0.000 0.897 584 D CB 0.794 41.742 40.800 0.247 0.000 1.197 584 D HN -0.048 nan 8.370 nan 0.000 0.432 585 F N 1.870 121.550 119.950 -0.450 0.000 2.250 585 F HA -0.189 4.541 4.527 0.339 0.000 0.301 585 F C 2.263 177.718 175.800 -0.574 0.000 1.077 585 F CA 1.191 58.750 58.000 -0.735 0.000 1.348 585 F CB -0.452 37.843 39.000 -1.176 0.000 1.040 585 F HN 0.271 nan 8.300 nan 0.000 0.509 586 S N -0.376 114.916 115.700 -0.681 0.000 2.512 586 S HA -0.183 4.490 4.470 0.338 0.000 0.253 586 S C 0.266 174.038 174.600 -1.380 0.000 0.984 586 S CA 0.794 58.360 58.200 -1.056 0.000 0.962 586 S CB -0.841 61.633 63.200 -1.210 0.000 0.747 586 S HN 0.333 nan 8.310 nan 0.000 0.525 587 F N 0.248 119.937 119.950 -0.435 0.000 2.584 587 F HA 0.341 5.071 4.527 0.338 0.000 0.328 587 F C -1.949 173.580 175.800 -0.452 0.000 1.407 587 F CA -2.222 55.532 58.000 -0.409 0.000 1.145 587 F CB 0.876 39.731 39.000 -0.242 0.000 1.440 587 F HN -0.077 nan 8.300 nan 0.000 0.580 588 P HA -0.126 nan 4.420 nan 0.000 0.219 588 P C 0.294 177.388 177.300 -0.343 0.000 1.150 588 P CA 0.793 63.575 63.100 -0.531 0.000 0.814 588 P CB 0.167 31.335 31.700 -0.887 0.000 0.787 589 D N -0.062 120.119 120.400 -0.365 0.000 2.583 589 D HA -0.106 4.737 4.640 0.338 0.000 0.232 589 D C 1.392 177.656 176.300 -0.061 0.000 1.128 589 D CA 0.122 54.042 54.000 -0.134 0.000 0.859 589 D CB 0.507 41.295 40.800 -0.020 0.000 1.169 589 D HN 0.193 nan 8.370 nan 0.000 0.481 590 C N 3.430 122.674 119.300 -0.093 0.000 2.432 590 C HA -0.061 4.602 4.460 0.338 0.000 0.282 590 C C 2.157 177.087 174.990 -0.099 0.000 1.388 590 C CA 0.016 58.960 59.018 -0.123 0.000 1.777 590 C CB -1.568 26.049 27.740 -0.205 0.000 1.882 590 C HN 0.712 nan 8.230 nan 0.000 0.520 591 Y N 1.716 122.036 120.300 0.034 0.000 2.220 591 Y HA -0.013 4.740 4.550 0.338 0.000 0.291 591 Y C 2.838 178.781 175.900 0.071 0.000 1.129 591 Y CA 1.502 59.641 58.100 0.064 0.000 1.161 591 Y CB -0.815 37.697 38.460 0.087 0.000 0.997 591 Y HN 0.190 nan 8.280 nan 0.000 0.522 592 V N -0.567 119.466 119.914 0.197 0.000 2.343 592 V HA -0.271 4.052 4.120 0.338 0.000 0.247 592 V C 2.506 178.653 176.094 0.088 0.000 1.051 592 V CA 2.009 64.356 62.300 0.078 0.000 1.036 592 V CB -1.417 30.419 31.823 0.022 0.000 0.654 592 V HN 0.537 nan 8.190 nan 0.000 0.451 593 G N -1.092 107.742 108.800 0.058 0.000 2.404 593 G HA2 -0.291 3.872 3.960 0.338 0.000 0.215 593 G HA3 -0.291 3.872 3.960 0.338 0.000 0.215 593 G C 1.917 176.836 174.900 0.033 0.000 1.174 593 G CA 1.198 46.315 45.100 0.030 0.000 0.780 593 G HN 0.495 nan 8.290 nan 0.000 0.537 594 S N -0.051 115.683 115.700 0.057 0.000 2.374 594 S HA -0.185 4.488 4.470 0.338 0.000 0.227 594 S C 2.103 176.742 174.600 0.066 0.000 1.037 594 S CA 1.663 59.896 58.200 0.054 0.000 1.024 594 S CB -0.472 62.782 63.200 0.089 0.000 0.861 594 S HN 0.378 nan 8.310 nan 0.000 0.456 595 F N 1.967 121.909 119.950 -0.013 0.000 2.202 595 F HA 0.005 4.735 4.527 0.338 0.000 0.301 595 F C 2.205 177.949 175.800 -0.093 0.000 1.082 595 F CA 1.245 59.223 58.000 -0.037 0.000 1.313 595 F CB -0.595 38.380 39.000 -0.041 0.000 1.024 595 F HN 0.308 nan 8.300 nan 0.000 0.495 596 A N 0.560 123.420 122.820 0.067 0.000 1.897 596 A HA -0.068 4.455 4.320 0.338 0.000 0.215 596 A C 2.126 179.585 177.584 -0.209 0.000 1.181 596 A CA 1.377 53.376 52.037 -0.063 0.000 0.620 596 A CB -0.837 18.132 19.000 -0.052 0.000 0.821 596 A HN 0.344 nan 8.150 nan 0.000 0.443 597 I N 0.441 120.881 120.570 -0.217 0.000 2.127 597 I HA -0.269 4.104 4.170 0.338 0.000 0.241 597 I C 2.346 178.225 176.117 -0.397 0.000 1.075 597 I CA 2.122 63.193 61.300 -0.383 0.000 1.334 597 I CB -1.326 36.473 38.000 -0.335 0.000 1.040 597 I HN 0.445 nan 8.210 nan 0.000 0.405 598 K N 0.942 121.167 120.400 -0.292 0.000 2.034 598 K HA -0.212 4.311 4.320 0.338 0.000 0.214 598 K C 2.287 178.697 176.600 -0.316 0.000 1.051 598 K CA 2.302 58.421 56.287 -0.281 0.000 0.931 598 K CB -0.172 32.148 32.500 -0.299 0.000 0.715 598 K HN 0.091 nan 8.250 nan 0.000 0.446 599 S N 0.169 115.622 115.700 -0.412 0.000 2.442 599 S HA -0.023 4.650 4.470 0.338 0.000 0.236 599 S C 1.526 176.006 174.600 -0.201 0.000 1.007 599 S CA 0.919 58.925 58.200 -0.323 0.000 0.965 599 S CB -0.076 62.918 63.200 -0.342 0.000 0.773 599 S HN 0.270 nan 8.310 nan 0.000 0.504 600 L N 0.413 121.493 121.223 -0.238 0.000 2.529 600 L HA 0.190 4.733 4.340 0.338 0.000 0.223 600 L C 2.168 178.972 176.870 -0.111 0.000 1.113 600 L CA 0.157 54.886 54.840 -0.185 0.000 0.861 600 L CB -0.118 41.773 42.059 -0.281 0.000 1.012 600 L HN 0.122 nan 8.230 nan 0.000 0.461 601 R N 1.066 121.486 120.500 -0.133 0.000 2.159 601 R HA -0.172 4.371 4.340 0.338 0.000 0.237 601 R C 1.840 178.215 176.300 0.124 0.000 1.131 601 R CA 1.228 57.384 56.100 0.093 0.000 0.982 601 R CB -0.325 30.016 30.300 0.069 0.000 0.868 601 R HN 0.455 nan 8.270 nan 0.000 0.453 602 K N 0.871 121.301 120.400 0.049 0.000 2.555 602 K HA 0.008 4.531 4.320 0.338 0.000 0.193 602 K C 0.318 176.966 176.600 0.080 0.000 1.032 602 K CA 0.354 56.673 56.287 0.054 0.000 1.004 602 K CB -0.093 32.420 32.500 0.022 0.000 0.804 602 K HN 0.102 nan 8.250 nan 0.000 0.496 603 L N 3.608 124.903 121.223 0.120 0.000 2.499 603 L HA -0.019 4.524 4.340 0.338 0.000 0.273 603 L C 1.006 177.940 176.870 0.107 0.000 1.195 603 L CA -0.144 54.776 54.840 0.134 0.000 0.882 603 L CB 0.477 42.657 42.059 0.201 0.000 1.133 603 L HN 0.310 nan 8.230 nan 0.000 0.483 604 T N -1.242 113.353 114.554 0.068 0.000 2.748 604 T HA 0.004 4.557 4.350 0.338 0.000 0.304 604 T C 0.892 175.613 174.700 0.035 0.000 1.041 604 T CA -0.660 61.466 62.100 0.043 0.000 1.033 604 T CB 0.790 69.672 68.868 0.023 0.000 0.995 604 T HN 0.551 nan 8.240 nan 0.000 0.536 605 D N 0.513 120.923 120.400 0.018 0.000 2.117 605 D HA -0.080 4.763 4.640 0.338 0.000 0.197 605 D C 1.781 178.092 176.300 0.019 0.000 0.987 605 D CA 1.230 55.235 54.000 0.009 0.000 0.829 605 D CB -0.255 40.532 40.800 -0.021 0.000 0.961 605 D HN 0.627 nan 8.370 nan 0.000 0.460 606 D N 0.787 121.186 120.400 -0.002 0.000 2.144 606 D HA -0.108 4.735 4.640 0.338 0.000 0.200 606 D C 1.935 178.201 176.300 -0.056 0.000 0.978 606 D CA 0.658 54.663 54.000 0.008 0.000 0.833 606 D CB -0.102 40.684 40.800 -0.023 0.000 0.961 606 D HN 0.413 nan 8.370 nan 0.000 0.470 607 E N 0.354 120.489 120.200 -0.107 0.000 2.031 607 E HA -0.159 4.394 4.350 0.338 0.000 0.193 607 E C 2.186 178.588 176.600 -0.331 0.000 0.994 607 E CA 0.355 56.590 56.400 -0.276 0.000 0.800 607 E CB -0.188 29.463 29.700 -0.082 0.000 0.752 607 E HN 0.102 nan 8.360 nan 0.000 0.447 608 L N 1.075 122.265 121.223 -0.055 0.000 1.990 608 L HA -0.218 4.325 4.340 0.338 0.000 0.213 608 L C 2.224 179.105 176.870 0.019 0.000 1.072 608 L CA 1.672 56.537 54.840 0.041 0.000 0.755 608 L CB -0.827 41.288 42.059 0.094 0.000 0.889 608 L HN 0.074 nan 8.230 nan 0.000 0.432 609 F N 0.453 120.322 119.950 -0.134 0.000 2.120 609 F HA -0.318 4.412 4.527 0.338 0.000 0.300 609 F C 2.631 178.302 175.800 -0.216 0.000 1.095 609 F CA 2.160 60.074 58.000 -0.143 0.000 1.249 609 F CB -0.747 38.164 39.000 -0.149 0.000 0.995 609 F HN 0.334 nan 8.300 nan 0.000 0.480 610 Q N -0.646 118.880 119.800 -0.457 0.000 2.181 610 Q HA -0.219 4.324 4.340 0.338 0.000 0.205 610 Q C 0.926 176.628 176.000 -0.496 0.000 0.980 610 Q CA 2.034 57.450 55.803 -0.646 0.000 0.862 610 Q CB -0.445 27.828 28.738 -0.775 0.000 0.905 610 Q HN 0.606 nan 8.270 nan 0.000 0.429 611 Y N -1.846 118.353 120.300 -0.168 0.000 2.588 611 Y HA 0.209 4.962 4.550 0.338 0.000 0.247 611 Y C 1.014 176.841 175.900 -0.121 0.000 1.157 611 Y CA -0.689 57.325 58.100 -0.144 0.000 1.215 611 Y CB -0.270 38.137 38.460 -0.089 0.000 1.245 611 Y HN 0.033 nan 8.280 nan 0.000 0.534 612 L N 0.524 121.737 121.223 -0.017 0.000 1.997 612 L HA -0.258 4.285 4.340 0.338 0.000 0.216 612 L C 2.309 179.108 176.870 -0.118 0.000 1.074 612 L CA 1.672 56.516 54.840 0.006 0.000 0.763 612 L CB -0.878 41.237 42.059 0.094 0.000 0.890 612 L HN 0.319 nan 8.230 nan 0.000 0.434 613 L N -0.552 120.523 121.223 -0.247 0.000 1.991 613 L HA -0.334 4.209 4.340 0.338 0.000 0.221 613 L C 2.457 179.149 176.870 -0.297 0.000 1.079 613 L CA 2.256 56.821 54.840 -0.457 0.000 0.778 613 L CB -1.072 40.780 42.059 -0.344 0.000 0.893 613 L HN 0.451 nan 8.230 nan 0.000 0.437 614 Q N -0.919 118.778 119.800 -0.171 0.000 2.172 614 Q HA -0.011 4.532 4.340 0.338 0.000 0.200 614 Q C 2.207 178.149 176.000 -0.096 0.000 0.964 614 Q CA 1.378 57.100 55.803 -0.135 0.000 0.855 614 Q CB -0.351 28.327 28.738 -0.100 0.000 0.918 614 Q HN 0.551 nan 8.270 nan 0.000 0.444 615 L N -0.608 120.587 121.223 -0.047 0.000 2.127 615 L HA -0.162 4.381 4.340 0.338 0.000 0.211 615 L C 1.928 178.770 176.870 -0.047 0.000 1.089 615 L CA 0.657 55.493 54.840 -0.007 0.000 0.757 615 L CB -0.425 41.675 42.059 0.068 0.000 0.899 615 L HN 0.108 nan 8.230 nan 0.000 0.434 616 V N -1.121 118.723 119.914 -0.115 0.000 2.488 616 V HA -0.182 4.141 4.120 0.338 0.000 0.246 616 V C 2.501 178.527 176.094 -0.113 0.000 1.046 616 V CA 1.139 63.345 62.300 -0.156 0.000 1.053 616 V CB -0.370 31.308 31.823 -0.241 0.000 0.679 616 V HN 0.413 nan 8.190 nan 0.000 0.458 617 Q N -0.077 119.635 119.800 -0.147 0.000 2.050 617 Q HA -0.151 4.392 4.340 0.338 0.000 0.202 617 Q C 2.448 178.290 176.000 -0.264 0.000 0.980 617 Q CA 1.513 57.210 55.803 -0.177 0.000 0.840 617 Q CB -0.918 27.686 28.738 -0.224 0.000 0.898 617 Q HN 0.502 nan 8.270 nan 0.000 0.424 618 V N 1.623 121.398 119.914 -0.231 0.000 2.370 618 V HA -0.292 4.031 4.120 0.338 0.000 0.252 618 V C 2.467 178.509 176.094 -0.086 0.000 1.068 618 V CA 1.484 63.672 62.300 -0.187 0.000 1.061 618 V CB -0.695 31.136 31.823 0.013 0.000 0.656 618 V HN 0.303 nan 8.190 nan 0.000 0.455 619 L N -0.475 120.732 121.223 -0.025 0.000 2.051 619 L HA -0.308 4.235 4.340 0.338 0.000 0.214 619 L C 2.492 179.382 176.870 0.033 0.000 1.076 619 L CA 1.973 56.847 54.840 0.057 0.000 0.758 619 L CB -0.683 41.449 42.059 0.121 0.000 0.890 619 L HN 0.323 nan 8.230 nan 0.000 0.433 620 K N -1.123 119.240 120.400 -0.063 0.000 2.442 620 K HA -0.206 4.317 4.320 0.338 0.000 0.200 620 K C 1.587 178.099 176.600 -0.147 0.000 1.045 620 K CA 1.062 57.243 56.287 -0.176 0.000 0.937 620 K CB -0.148 32.175 32.500 -0.295 0.000 0.757 620 K HN 0.287 nan 8.250 nan 0.000 0.474 621 Y N 1.271 121.495 120.300 -0.127 0.000 2.500 621 Y HA 0.094 4.847 4.550 0.339 0.000 0.270 621 Y C 0.660 176.510 175.900 -0.083 0.000 1.134 621 Y CA -0.183 57.816 58.100 -0.168 0.000 1.293 621 Y CB 0.105 38.521 38.460 -0.073 0.000 1.063 621 Y HN -0.085 nan 8.280 nan 0.000 0.534 622 E N -0.129 120.128 120.200 0.096 0.000 2.360 622 E HA 0.090 4.643 4.350 0.338 0.000 0.269 622 E C 0.820 177.402 176.600 -0.031 0.000 1.022 622 E CA 0.105 56.539 56.400 0.058 0.000 0.887 622 E CB 1.438 31.178 29.700 0.066 0.000 0.990 622 E HN 0.069 nan 8.360 nan 0.000 0.426 623 S N 1.904 117.546 115.700 -0.096 0.000 2.478 623 S HA 0.049 4.722 4.470 0.338 0.000 0.222 623 S C -0.041 174.184 174.600 -0.626 0.000 1.008 623 S CA 0.520 58.501 58.200 -0.365 0.000 0.928 623 S CB 0.102 63.031 63.200 -0.450 0.000 0.781 623 S HN 0.393 nan 8.310 nan 0.000 0.518 624 Y N -0.789 119.540 120.300 0.049 0.000 2.665 624 Y HA 0.493 5.246 4.550 0.338 0.000 0.336 624 Y C 0.869 176.775 175.900 0.010 0.000 1.085 624 Y CA -1.097 57.029 58.100 0.043 0.000 1.096 624 Y CB 0.697 39.213 38.460 0.094 0.000 1.301 624 Y HN -0.206 nan 8.280 nan 0.000 0.493 625 L N -0.305 121.010 121.223 0.153 0.000 2.102 625 L HA 0.049 4.592 4.340 0.338 0.000 0.202 625 L C 0.138 177.192 176.870 0.308 0.000 1.076 625 L CA 0.843 55.672 54.840 -0.018 0.000 0.761 625 L CB -0.023 41.822 42.059 -0.355 0.000 0.921 625 L HN 0.545 nan 8.230 nan 0.000 0.444 626 D N 0.737 121.390 120.400 0.421 0.000 2.344 626 D HA 0.204 5.047 4.640 0.338 0.000 0.253 626 D C -0.525 175.892 176.300 0.195 0.000 1.255 626 D CA -0.130 54.069 54.000 0.332 0.000 0.894 626 D CB 0.426 41.336 40.800 0.182 0.000 1.067 626 D HN 0.244 nan 8.370 nan 0.000 0.492 627 C N 2.328 121.726 119.300 0.164 0.000 3.090 627 C HA 0.522 5.185 4.460 0.338 0.000 0.305 627 C C 1.399 176.425 174.990 0.061 0.000 1.292 627 C CA -0.799 58.286 59.018 0.112 0.000 1.482 627 C CB 1.913 29.736 27.740 0.137 0.000 1.897 627 C HN 0.455 nan 8.230 nan 0.000 0.469 628 E N 0.140 120.364 120.200 0.040 0.000 2.110 628 E HA -0.148 4.405 4.350 0.338 0.000 0.193 628 E C 1.716 178.355 176.600 0.066 0.000 0.988 628 E CA 1.149 57.563 56.400 0.023 0.000 0.804 628 E CB -0.165 29.535 29.700 0.000 0.000 0.745 628 E HN 0.764 nan 8.360 nan 0.000 0.458 629 L N 0.763 122.035 121.223 0.082 0.000 2.141 629 L HA -0.097 4.446 4.340 0.338 0.000 0.209 629 L C 2.094 179.069 176.870 0.175 0.000 1.094 629 L CA 1.675 56.596 54.840 0.136 0.000 0.763 629 L CB -0.685 41.438 42.059 0.105 0.000 0.908 629 L HN 0.015 nan 8.230 nan 0.000 0.437 630 T N -0.747 113.881 114.554 0.123 0.000 2.732 630 T HA -0.173 4.380 4.350 0.338 0.000 0.261 630 T C 1.892 176.626 174.700 0.057 0.000 1.040 630 T CA 1.477 63.644 62.100 0.111 0.000 1.145 630 T CB -0.088 68.885 68.868 0.176 0.000 0.866 630 T HN 0.280 nan 8.240 nan 0.000 0.427 631 K N 0.007 120.389 120.400 -0.030 0.000 2.063 631 K HA -0.128 4.395 4.320 0.338 0.000 0.208 631 K C 2.084 178.691 176.600 0.012 0.000 1.048 631 K CA 1.284 57.448 56.287 -0.205 0.000 0.928 631 K CB -0.327 31.942 32.500 -0.385 0.000 0.713 631 K HN 0.244 nan 8.250 nan 0.000 0.442 632 F N 1.827 121.757 119.950 -0.033 0.000 2.025 632 F HA -0.241 4.489 4.527 0.338 0.000 0.297 632 F C 1.842 177.684 175.800 0.071 0.000 1.132 632 F CA 1.638 59.657 58.000 0.033 0.000 1.191 632 F CB -0.587 38.425 39.000 0.020 0.000 0.963 632 F HN -0.031 nan 8.300 nan 0.000 0.481 633 L N -0.589 120.641 121.223 0.012 0.000 2.043 633 L HA -0.264 4.279 4.340 0.338 0.000 0.212 633 L C 2.443 179.284 176.870 -0.048 0.000 1.075 633 L CA 0.935 55.723 54.840 -0.087 0.000 0.752 633 L CB -0.814 41.263 42.059 0.030 0.000 0.891 633 L HN 0.243 nan 8.230 nan 0.000 0.432 634 L N -0.159 121.097 121.223 0.056 0.000 2.056 634 L HA -0.072 4.471 4.340 0.338 0.000 0.207 634 L C 2.476 179.480 176.870 0.223 0.000 1.078 634 L CA 1.988 56.931 54.840 0.173 0.000 0.749 634 L CB -1.342 40.844 42.059 0.213 0.000 0.901 634 L HN 0.185 nan 8.230 nan 0.000 0.433 635 G N -1.103 107.838 108.800 0.234 0.000 2.421 635 G HA2 -0.239 3.924 3.960 0.338 0.000 0.216 635 G HA3 -0.239 3.924 3.960 0.338 0.000 0.216 635 G C 1.712 176.613 174.900 0.003 0.000 1.171 635 G CA 0.309 45.532 45.100 0.205 0.000 0.775 635 G HN 0.195 nan 8.290 nan 0.000 0.543 636 R N 0.754 121.154 120.500 -0.167 0.000 2.115 636 R HA 0.093 4.636 4.340 0.338 0.000 0.230 636 R C 2.848 179.115 176.300 -0.056 0.000 1.111 636 R CA 1.141 57.120 56.100 -0.202 0.000 0.976 636 R CB -1.045 28.986 30.300 -0.450 0.000 0.870 636 R HN 0.360 nan 8.270 nan 0.000 0.445 637 A N 0.686 123.512 122.820 0.010 0.000 2.015 637 A HA -0.035 4.488 4.320 0.338 0.000 0.219 637 A C 2.199 179.965 177.584 0.303 0.000 1.163 637 A CA 0.879 52.990 52.037 0.123 0.000 0.646 637 A CB -0.304 18.747 19.000 0.086 0.000 0.806 637 A HN 0.188 nan 8.150 nan 0.000 0.448 638 L N -1.386 119.980 121.223 0.240 0.000 2.446 638 L HA 0.048 4.591 4.340 0.338 0.000 0.219 638 L C 2.768 179.716 176.870 0.129 0.000 1.116 638 L CA 0.620 55.572 54.840 0.185 0.000 0.844 638 L CB -0.152 41.931 42.059 0.040 0.000 0.970 638 L HN 0.396 nan 8.230 nan 0.000 0.457 639 A N -0.731 122.134 122.820 0.074 0.000 2.016 639 A HA -0.042 4.481 4.320 0.338 0.000 0.217 639 A C 1.020 178.687 177.584 0.138 0.000 1.162 639 A CA 0.704 52.771 52.037 0.050 0.000 0.662 639 A CB -0.111 18.865 19.000 -0.040 0.000 0.812 639 A HN 0.357 nan 8.150 nan 0.000 0.450 640 N N -0.840 117.880 118.700 0.033 0.000 2.399 640 N HA 0.229 5.172 4.740 0.338 0.000 0.284 640 N C 0.266 175.579 175.510 -0.329 0.000 1.025 640 N CA -0.426 52.512 53.050 -0.188 0.000 0.885 640 N CB 1.482 39.896 38.487 -0.123 0.000 1.339 640 N HN 0.245 nan 8.380 nan 0.000 0.487 641 R N 2.753 122.774 120.500 -0.798 0.000 2.115 641 R HA -0.024 4.519 4.340 0.338 0.000 0.226 641 R C 1.677 177.809 176.300 -0.280 0.000 1.100 641 R CA 1.078 56.773 56.100 -0.676 0.000 0.980 641 R CB 0.220 29.826 30.300 -1.157 0.000 0.875 641 R HN 0.555 nan 8.270 nan 0.000 0.445 642 K N 0.504 120.750 120.400 -0.256 0.000 2.032 642 K HA -0.141 4.382 4.320 0.338 0.000 0.209 642 K C 1.873 178.567 176.600 0.156 0.000 1.048 642 K CA 1.417 57.661 56.287 -0.071 0.000 0.927 642 K CB -0.007 32.391 32.500 -0.171 0.000 0.712 642 K HN 0.057 nan 8.250 nan 0.000 0.441 643 I N 1.054 121.670 120.570 0.078 0.000 2.179 643 I HA -0.161 4.212 4.170 0.338 0.000 0.242 643 I C 2.494 178.696 176.117 0.142 0.000 1.088 643 I CA 1.740 63.142 61.300 0.169 0.000 1.357 643 I CB -1.874 36.168 38.000 0.071 0.000 1.051 643 I HN 0.396 nan 8.210 nan 0.000 0.409 644 G N -0.222 108.627 108.800 0.082 0.000 2.446 644 G HA2 -0.342 3.821 3.960 0.338 0.000 0.217 644 G HA3 -0.342 3.821 3.960 0.338 0.000 0.217 644 G C 1.645 176.502 174.900 -0.071 0.000 1.168 644 G CA 1.382 46.457 45.100 -0.042 0.000 0.771 644 G HN 0.456 nan 8.290 nan 0.000 0.551 645 H N 0.327 119.427 119.070 0.049 0.000 2.252 645 H HA -0.139 4.620 4.556 0.338 0.000 0.292 645 H C 2.212 177.481 175.328 -0.099 0.000 1.082 645 H CA 2.314 58.337 56.048 -0.041 0.000 1.229 645 H CB -0.447 29.193 29.762 -0.202 0.000 1.353 645 H HN 0.355 nan 8.280 nan 0.000 0.488 646 F N -0.686 119.357 119.950 0.156 0.000 2.325 646 F HA -0.030 4.700 4.527 0.338 0.000 0.299 646 F C 2.355 178.090 175.800 -0.109 0.000 1.090 646 F CA 0.627 58.638 58.000 0.018 0.000 1.392 646 F CB -0.444 38.662 39.000 0.177 0.000 1.053 646 F HN 0.224 nan 8.300 nan 0.000 0.521 647 L N -0.223 121.058 121.223 0.097 0.000 2.046 647 L HA -0.202 4.341 4.340 0.338 0.000 0.208 647 L C 2.244 179.033 176.870 -0.134 0.000 1.077 647 L CA 1.658 56.507 54.840 0.014 0.000 0.747 647 L CB -1.070 40.943 42.059 -0.077 0.000 0.896 647 L HN 0.194 nan 8.230 nan 0.000 0.432 648 F N -0.967 118.750 119.950 -0.388 0.000 2.102 648 F HA -0.221 4.509 4.527 0.337 0.000 0.298 648 F C 1.863 177.404 175.800 -0.430 0.000 1.105 648 F CA 1.789 59.484 58.000 -0.509 0.000 1.239 648 F CB -0.711 37.846 39.000 -0.737 0.000 0.991 648 F HN 0.124 nan 8.300 nan 0.000 0.474 649 W N -0.056 121.013 121.300 -0.384 0.000 2.381 649 W HA -0.172 4.691 4.660 0.339 0.000 0.301 649 W C 2.729 179.082 176.519 -0.277 0.000 1.205 649 W CA 1.252 58.355 57.345 -0.404 0.000 1.285 649 W CB -0.666 28.629 29.460 -0.275 0.000 1.133 649 W HN 0.069 nan 8.180 nan 0.000 0.521 650 H N 0.079 119.189 119.070 0.067 0.000 2.390 650 H HA -0.161 4.598 4.556 0.338 0.000 0.298 650 H C 2.125 177.391 175.328 -0.104 0.000 1.106 650 H CA 1.685 57.733 56.048 -0.000 0.000 1.297 650 H CB -0.802 28.936 29.762 -0.039 0.000 1.375 650 H HN 0.258 nan 8.280 nan 0.000 0.509 651 L N -0.201 120.922 121.223 -0.166 0.000 2.068 651 L HA -0.072 4.471 4.340 0.338 0.000 0.204 651 L C 2.773 179.582 176.870 -0.103 0.000 1.076 651 L CA 0.668 55.348 54.840 -0.266 0.000 0.753 651 L CB -0.199 41.608 42.059 -0.420 0.000 0.910 651 L HN 0.052 nan 8.230 nan 0.000 0.439 652 R N 1.010 121.274 120.500 -0.393 0.000 2.105 652 R HA -0.154 4.389 4.340 0.338 0.000 0.239 652 R C 2.410 178.731 176.300 0.034 0.000 1.135 652 R CA 1.913 57.816 56.100 -0.327 0.000 0.967 652 R CB -0.890 28.934 30.300 -0.793 0.000 0.861 652 R HN 0.473 nan 8.270 nan 0.000 0.442 653 S N -0.184 115.595 115.700 0.132 0.000 2.507 653 S HA -0.044 4.629 4.470 0.338 0.000 0.235 653 S C 0.780 175.537 174.600 0.262 0.000 0.988 653 S CA 0.961 59.295 58.200 0.224 0.000 0.944 653 S CB -0.130 63.201 63.200 0.219 0.000 0.762 653 S HN 0.466 nan 8.310 nan 0.000 0.526 654 E N 0.060 120.379 120.200 0.197 0.000 2.548 654 E HA 0.248 4.801 4.350 0.338 0.000 0.206 654 E C 0.647 177.193 176.600 -0.090 0.000 1.005 654 E CA -0.264 56.152 56.400 0.026 0.000 0.951 654 E CB 0.085 29.821 29.700 0.061 0.000 1.035 654 E HN 0.456 nan 8.360 nan 0.000 0.470 655 M N 1.092 120.739 119.600 0.078 0.000 2.557 655 M HA -0.075 4.608 4.480 0.338 0.000 0.259 655 M C 1.879 178.198 176.300 0.031 0.000 1.086 655 M CA 1.177 56.504 55.300 0.045 0.000 1.096 655 M CB -0.842 31.807 32.600 0.082 0.000 1.424 655 M HN 0.279 nan 8.290 nan 0.000 0.488 656 H N -1.082 117.995 119.070 0.012 0.000 2.551 656 H HA 0.194 4.954 4.556 0.340 0.000 0.266 656 H C 0.053 175.379 175.328 -0.003 0.000 0.977 656 H CA 0.158 56.212 56.048 0.010 0.000 1.163 656 H CB -0.603 29.171 29.762 0.020 0.000 1.381 656 H HN 0.084 nan 8.280 nan 0.000 0.581 657 V N 4.114 123.761 119.914 -0.446 0.000 2.353 657 V HA 0.096 4.419 4.120 0.338 0.000 0.264 657 V C -1.379 174.614 176.094 -0.168 0.000 1.049 657 V CA -1.108 60.996 62.300 -0.326 0.000 0.896 657 V CB 1.488 33.059 31.823 -0.420 0.000 1.025 657 V HN 0.124 nan 8.190 nan 0.000 0.475 658 P HA -0.176 nan 4.420 nan 0.000 0.217 658 P C 1.790 179.151 177.300 0.102 0.000 1.148 658 P CA 1.715 64.861 63.100 0.076 0.000 0.828 658 P CB 0.179 32.008 31.700 0.215 0.000 0.783 659 S N -1.540 114.139 115.700 -0.035 0.000 2.453 659 S HA -0.067 4.606 4.470 0.338 0.000 0.231 659 S C 1.652 176.107 174.600 -0.241 0.000 1.005 659 S CA 1.200 59.282 58.200 -0.198 0.000 0.949 659 S CB -1.265 61.599 63.200 -0.560 0.000 0.774 659 S HN 0.193 nan 8.310 nan 0.000 0.510 660 V N -2.854 116.855 119.914 -0.342 0.000 3.556 660 V HA 0.655 4.978 4.120 0.338 0.000 0.287 660 V C 2.222 178.028 176.094 -0.481 0.000 1.422 660 V CA 0.168 62.116 62.300 -0.588 0.000 1.038 660 V CB -0.631 30.521 31.823 -1.119 0.000 0.850 660 V HN 0.372 nan 8.190 nan 0.000 0.437 661 A N 1.741 124.413 122.820 -0.246 0.000 1.884 661 A HA -0.232 4.291 4.320 0.338 0.000 0.219 661 A C 2.106 179.678 177.584 -0.019 0.000 1.197 661 A CA 2.719 54.695 52.037 -0.101 0.000 0.637 661 A CB -0.713 18.268 19.000 -0.032 0.000 0.827 661 A HN 0.693 nan 8.150 nan 0.000 0.450 662 L N -0.436 120.774 121.223 -0.021 0.000 1.988 662 L HA -0.123 4.420 4.340 0.338 0.000 0.207 662 L C 2.523 179.331 176.870 -0.103 0.000 1.071 662 L CA 2.579 57.419 54.840 0.000 0.000 0.744 662 L CB -0.667 41.383 42.059 -0.016 0.000 0.893 662 L HN 0.501 nan 8.230 nan 0.000 0.433 663 R N -1.083 119.338 120.500 -0.131 0.000 2.136 663 R HA -0.262 4.281 4.340 0.338 0.000 0.242 663 R C 2.238 178.607 176.300 0.116 0.000 1.131 663 R CA 2.582 58.625 56.100 -0.096 0.000 0.937 663 R CB -0.587 29.692 30.300 -0.034 0.000 0.863 663 R HN 0.384 nan 8.270 nan 0.000 0.435 664 F N 0.127 120.015 119.950 -0.104 0.000 2.234 664 F HA 0.053 4.783 4.527 0.338 0.000 0.299 664 F C 2.482 178.263 175.800 -0.032 0.000 1.087 664 F CA 0.999 58.958 58.000 -0.068 0.000 1.340 664 F CB -1.436 37.520 39.000 -0.074 0.000 1.031 664 F HN 0.271 nan 8.300 nan 0.000 0.500 665 G N 0.526 109.439 108.800 0.190 0.000 2.433 665 G HA2 -0.206 3.957 3.960 0.338 0.000 0.216 665 G HA3 -0.206 3.957 3.960 0.338 0.000 0.216 665 G C 1.905 176.884 174.900 0.132 0.000 1.186 665 G CA 0.725 45.963 45.100 0.230 0.000 0.779 665 G HN 0.308 nan 8.290 nan 0.000 0.543 666 L N 0.146 121.288 121.223 -0.135 0.000 2.051 666 L HA -0.156 4.387 4.340 0.338 0.000 0.214 666 L C 2.909 179.864 176.870 0.142 0.000 1.076 666 L CA 1.036 55.744 54.840 -0.220 0.000 0.758 666 L CB -0.449 41.311 42.059 -0.498 0.000 0.890 666 L HN 0.252 nan 8.230 nan 0.000 0.433 667 I N -0.983 119.680 120.570 0.156 0.000 2.202 667 I HA -0.315 4.058 4.170 0.338 0.000 0.242 667 I C 2.638 178.865 176.117 0.183 0.000 1.091 667 I CA 1.369 62.798 61.300 0.216 0.000 1.368 667 I CB -0.258 37.818 38.000 0.127 0.000 1.058 667 I HN 0.230 nan 8.210 nan 0.000 0.410 668 M N 0.118 119.806 119.600 0.146 0.000 2.149 668 M HA -0.252 4.431 4.480 0.338 0.000 0.261 668 M C 2.337 178.780 176.300 0.238 0.000 1.064 668 M CA 1.755 57.171 55.300 0.194 0.000 1.102 668 M CB -0.505 32.188 32.600 0.156 0.000 1.369 668 M HN 0.263 nan 8.290 nan 0.000 0.408 669 E N 0.572 120.901 120.200 0.215 0.000 2.038 669 E HA -0.232 4.321 4.350 0.338 0.000 0.195 669 E C 1.938 178.643 176.600 0.175 0.000 1.000 669 E CA 1.577 58.098 56.400 0.202 0.000 0.803 669 E CB -0.015 29.819 29.700 0.223 0.000 0.750 669 E HN 0.477 nan 8.360 nan 0.000 0.448 670 A N 0.526 123.455 122.820 0.183 0.000 1.865 670 A HA -0.248 4.275 4.320 0.338 0.000 0.217 670 A C 2.112 179.796 177.584 0.167 0.000 1.191 670 A CA 1.775 53.902 52.037 0.150 0.000 0.623 670 A CB -1.287 17.793 19.000 0.133 0.000 0.826 670 A HN 0.606 nan 8.150 nan 0.000 0.444 671 Y N 0.313 120.666 120.300 0.087 0.000 2.062 671 Y HA -0.373 4.380 4.550 0.338 0.000 0.276 671 Y C 2.696 178.625 175.900 0.049 0.000 1.189 671 Y CA 1.662 59.806 58.100 0.073 0.000 1.130 671 Y CB -0.965 37.541 38.460 0.076 0.000 0.959 671 Y HN 0.405 nan 8.280 nan 0.000 0.499 672 C N 0.571 119.938 119.300 0.112 0.000 2.413 672 C HA -0.192 4.471 4.460 0.338 0.000 0.277 672 C C 2.744 177.701 174.990 -0.054 0.000 1.265 672 C CA 1.187 60.204 59.018 -0.003 0.000 1.752 672 C CB -1.099 26.678 27.740 0.062 0.000 1.998 672 C HN 0.517 nan 8.230 nan 0.000 0.489 673 R N 0.246 120.739 120.500 -0.012 0.000 2.092 673 R HA -0.050 4.493 4.340 0.338 0.000 0.231 673 R C 2.121 178.383 176.300 -0.063 0.000 1.119 673 R CA 1.541 57.632 56.100 -0.015 0.000 0.970 673 R CB -0.997 29.314 30.300 0.019 0.000 0.864 673 R HN 0.580 nan 8.270 nan 0.000 0.440 674 G N -0.363 108.371 108.800 -0.110 0.000 3.383 674 G HA2 0.007 4.170 3.960 0.338 0.000 0.251 674 G HA3 0.007 4.170 3.960 0.338 0.000 0.251 674 G C 0.081 174.836 174.900 -0.242 0.000 1.203 674 G CA -0.012 44.993 45.100 -0.158 0.000 0.852 674 G HN 0.186 nan 8.290 nan 0.000 0.531 675 S N -0.893 114.661 115.700 -0.243 0.000 2.751 675 S HA 0.174 4.847 4.470 0.338 0.000 0.148 675 S C 1.338 175.888 174.600 -0.083 0.000 1.057 675 S CA -0.099 57.974 58.200 -0.212 0.000 1.103 675 S CB -0.428 62.509 63.200 -0.439 0.000 1.709 675 S HN 0.075 nan 8.310 nan 0.000 0.484 676 T N 1.843 116.379 114.554 -0.030 0.000 2.720 676 T HA -0.157 4.396 4.350 0.338 0.000 0.268 676 T C 1.645 176.367 174.700 0.036 0.000 1.037 676 T CA 1.714 63.812 62.100 -0.003 0.000 1.144 676 T CB -0.444 68.426 68.868 0.004 0.000 0.864 676 T HN 0.744 nan 8.240 nan 0.000 0.444 677 H N 0.463 119.543 119.070 0.016 0.000 2.321 677 H HA -0.116 4.643 4.556 0.339 0.000 0.300 677 H C 2.244 177.639 175.328 0.112 0.000 1.087 677 H CA 1.966 58.049 56.048 0.058 0.000 1.319 677 H CB -0.498 29.310 29.762 0.077 0.000 1.379 677 H HN 0.584 nan 8.280 nan 0.000 0.501 678 H N -0.079 119.065 119.070 0.123 0.000 2.421 678 H HA -0.129 4.630 4.556 0.338 0.000 0.298 678 H C 2.665 177.945 175.328 -0.080 0.000 1.087 678 H CA 1.067 57.153 56.048 0.064 0.000 1.330 678 H CB 0.101 29.928 29.762 0.108 0.000 1.388 678 H HN 0.375 nan 8.280 nan 0.000 0.526 679 M N 1.026 120.570 119.600 -0.092 0.000 2.065 679 M HA -0.210 4.473 4.480 0.338 0.000 0.259 679 M C 1.938 178.130 176.300 -0.180 0.000 1.069 679 M CA 1.830 57.011 55.300 -0.198 0.000 1.110 679 M CB -0.092 32.440 32.600 -0.112 0.000 1.328 679 M HN 0.150 nan 8.290 nan 0.000 0.405 680 K N -0.173 120.144 120.400 -0.138 0.000 2.074 680 K HA -0.175 4.348 4.320 0.338 0.000 0.209 680 K C 1.871 178.401 176.600 -0.117 0.000 1.048 680 K CA 1.808 58.014 56.287 -0.135 0.000 0.926 680 K CB -0.549 31.840 32.500 -0.185 0.000 0.713 680 K HN 0.322 nan 8.250 nan 0.000 0.444 681 V N 1.716 121.566 119.914 -0.106 0.000 2.427 681 V HA -0.194 4.129 4.120 0.338 0.000 0.248 681 V C 2.140 178.230 176.094 -0.006 0.000 1.051 681 V CA 1.469 63.772 62.300 0.006 0.000 1.048 681 V CB -0.323 31.608 31.823 0.180 0.000 0.666 681 V HN 0.259 nan 8.190 nan 0.000 0.456 682 L N -1.353 119.768 121.223 -0.169 0.000 2.156 682 L HA -0.122 4.421 4.340 0.338 0.000 0.208 682 L C 2.479 179.285 176.870 -0.106 0.000 1.095 682 L CA 1.232 55.916 54.840 -0.260 0.000 0.770 682 L CB -0.503 41.026 42.059 -0.883 0.000 0.914 682 L HN 0.287 nan 8.230 nan 0.000 0.439 683 M N -0.325 119.211 119.600 -0.107 0.000 2.108 683 M HA -0.215 4.468 4.480 0.338 0.000 0.261 683 M C 2.349 178.668 176.300 0.033 0.000 1.066 683 M CA 1.475 56.763 55.300 -0.021 0.000 1.107 683 M CB -0.411 32.169 32.600 -0.033 0.000 1.356 683 M HN 0.038 nan 8.290 nan 0.000 0.406 684 K N 1.063 121.479 120.400 0.026 0.000 2.034 684 K HA -0.202 4.321 4.320 0.338 0.000 0.214 684 K C 1.791 178.446 176.600 0.092 0.000 1.051 684 K CA 1.933 58.251 56.287 0.052 0.000 0.931 684 K CB -0.603 31.928 32.500 0.053 0.000 0.715 684 K HN 0.417 nan 8.250 nan 0.000 0.446 685 Q N -1.279 118.610 119.800 0.148 0.000 2.061 685 Q HA -0.103 4.440 4.340 0.338 0.000 0.204 685 Q C 2.101 178.264 176.000 0.270 0.000 0.984 685 Q CA 1.795 57.740 55.803 0.237 0.000 0.846 685 Q CB -0.485 28.518 28.738 0.442 0.000 0.902 685 Q HN 0.554 nan 8.270 nan 0.000 0.421 686 G N 0.547 109.544 108.800 0.329 0.000 2.422 686 G HA2 -0.264 3.899 3.960 0.338 0.000 0.218 686 G HA3 -0.264 3.899 3.960 0.338 0.000 0.218 686 G C 0.999 175.992 174.900 0.155 0.000 1.146 686 G CA 0.729 46.021 45.100 0.320 0.000 0.769 686 G HN 0.329 nan 8.290 nan 0.000 0.547 687 E N 0.455 120.711 120.200 0.095 0.000 2.118 687 E HA -0.087 4.466 4.350 0.338 0.000 0.195 687 E C 2.834 179.432 176.600 -0.004 0.000 0.992 687 E CA 0.871 57.288 56.400 0.030 0.000 0.804 687 E CB -0.149 29.559 29.700 0.013 0.000 0.741 687 E HN 0.442 nan 8.360 nan 0.000 0.458 688 A N 0.612 123.444 122.820 0.021 0.000 1.968 688 A HA -0.074 4.449 4.320 0.338 0.000 0.217 688 A C 2.090 179.634 177.584 -0.067 0.000 1.169 688 A CA 0.756 52.783 52.037 -0.016 0.000 0.638 688 A CB -0.302 18.711 19.000 0.023 0.000 0.812 688 A HN 0.127 nan 8.150 nan 0.000 0.446 689 L N -0.974 120.239 121.223 -0.017 0.000 2.179 689 L HA -0.079 4.464 4.340 0.338 0.000 0.208 689 L C 2.846 179.669 176.870 -0.079 0.000 1.096 689 L CA 1.116 55.926 54.840 -0.049 0.000 0.779 689 L CB -0.282 41.841 42.059 0.107 0.000 0.922 689 L HN 0.487 nan 8.230 nan 0.000 0.443 690 S N -0.086 115.601 115.700 -0.021 0.000 2.353 690 S HA -0.189 4.484 4.470 0.338 0.000 0.222 690 S C 2.159 176.700 174.600 -0.100 0.000 1.035 690 S CA 1.275 59.459 58.200 -0.026 0.000 1.025 690 S CB 0.013 63.205 63.200 -0.014 0.000 0.902 690 S HN 0.223 nan 8.310 nan 0.000 0.440 691 K N 1.077 121.372 120.400 -0.175 0.000 2.032 691 K HA -0.054 4.469 4.320 0.338 0.000 0.209 691 K C 2.170 178.703 176.600 -0.112 0.000 1.048 691 K CA 1.340 57.480 56.287 -0.246 0.000 0.927 691 K CB -1.073 31.202 32.500 -0.375 0.000 0.712 691 K HN 0.443 nan 8.250 nan 0.000 0.441 692 L N 1.017 122.070 121.223 -0.283 0.000 2.042 692 L HA -0.226 4.317 4.340 0.338 0.000 0.210 692 L C 2.534 179.109 176.870 -0.493 0.000 1.076 692 L CA 1.339 55.853 54.840 -0.543 0.000 0.749 692 L CB -0.516 40.833 42.059 -1.183 0.000 0.893 692 L HN 0.105 nan 8.230 nan 0.000 0.432 693 K N 0.676 120.862 120.400 -0.357 0.000 2.097 693 K HA -0.138 4.385 4.320 0.338 0.000 0.206 693 K C 1.933 178.603 176.600 0.117 0.000 1.049 693 K CA 1.652 58.000 56.287 0.101 0.000 0.933 693 K CB -0.295 32.313 32.500 0.179 0.000 0.717 693 K HN 0.252 nan 8.250 nan 0.000 0.442 694 A N 0.031 122.896 122.820 0.074 0.000 1.970 694 A HA 0.019 4.542 4.320 0.338 0.000 0.216 694 A C 2.047 179.743 177.584 0.186 0.000 1.170 694 A CA 1.135 53.252 52.037 0.134 0.000 0.645 694 A CB -0.474 18.607 19.000 0.136 0.000 0.816 694 A HN 0.337 nan 8.150 nan 0.000 0.447 695 L N 0.048 121.380 121.223 0.181 0.000 2.095 695 L HA -0.033 4.510 4.340 0.338 0.000 0.204 695 L C 1.986 178.968 176.870 0.187 0.000 1.080 695 L CA 1.984 56.926 54.840 0.170 0.000 0.759 695 L CB -0.589 41.555 42.059 0.143 0.000 0.914 695 L HN 0.385 nan 8.230 nan 0.000 0.439 696 N N 0.069 118.872 118.700 0.172 0.000 2.084 696 N HA -0.208 4.735 4.740 0.338 0.000 0.190 696 N C 1.443 177.033 175.510 0.133 0.000 1.030 696 N CA 1.674 54.846 53.050 0.203 0.000 0.849 696 N CB -0.213 38.512 38.487 0.396 0.000 1.012 696 N HN 0.363 nan 8.380 nan 0.000 0.423 697 D N -0.126 120.361 120.400 0.145 0.000 2.116 697 D HA -0.185 4.658 4.640 0.338 0.000 0.193 697 D C 1.703 178.041 176.300 0.063 0.000 0.998 697 D CA 0.718 54.774 54.000 0.092 0.000 0.836 697 D CB -0.698 40.165 40.800 0.104 0.000 0.951 697 D HN 0.343 nan 8.370 nan 0.000 0.449 698 F N 1.474 121.415 119.950 -0.014 0.000 2.120 698 F HA -0.251 4.259 4.527 -0.028 0.000 0.300 698 F C 2.169 177.908 175.800 -0.102 0.000 1.095 698 F CA 1.181 59.154 58.000 -0.045 0.000 1.249 698 F CB -0.294 38.679 39.000 -0.045 0.000 0.995 698 F HN -0.186 nan 8.300 nan 0.000 0.480 699 V N 0.823 120.648 119.914 -0.148 0.000 2.427 699 V HA -0.281 4.042 4.120 0.338 0.000 0.248 699 V C 2.332 178.147 176.094 -0.464 0.000 1.051 699 V CA 2.219 64.280 62.300 -0.399 0.000 1.048 699 V CB -0.644 30.971 31.823 -0.348 0.000 0.666 699 V HN 0.314 nan 8.190 nan 0.000 0.456 700 K N -0.349 119.889 120.400 -0.270 0.000 2.057 700 K HA -0.142 4.381 4.320 0.338 0.000 0.207 700 K C 2.031 178.504 176.600 -0.212 0.000 1.049 700 K CA 1.467 57.633 56.287 -0.201 0.000 0.931 700 K CB -0.421 32.022 32.500 -0.096 0.000 0.714 700 K HN 0.334 nan 8.250 nan 0.000 0.440 701 V N 0.799 120.568 119.914 -0.243 0.000 2.244 701 V HA -0.252 4.071 4.120 0.338 0.000 0.244 701 V C 2.422 178.332 176.094 -0.308 0.000 1.042 701 V CA 1.967 64.129 62.300 -0.231 0.000 1.006 701 V CB -0.520 31.174 31.823 -0.215 0.000 0.641 701 V HN 0.372 nan 8.190 nan 0.000 0.446 702 S N 1.028 116.407 115.700 -0.535 0.000 2.378 702 S HA -0.283 4.390 4.470 0.338 0.000 0.229 702 S C 2.187 176.602 174.600 -0.308 0.000 1.052 702 S CA 2.567 60.441 58.200 -0.544 0.000 1.084 702 S CB -0.589 62.028 63.200 -0.972 0.000 0.950 702 S HN 0.831 nan 8.310 nan 0.000 0.440 703 S N 0.407 115.919 115.700 -0.314 0.000 2.500 703 S HA -0.036 4.637 4.470 0.338 0.000 0.239 703 S C 1.509 176.058 174.600 -0.086 0.000 0.989 703 S CA 0.814 58.918 58.200 -0.158 0.000 0.951 703 S CB -0.477 62.612 63.200 -0.185 0.000 0.759 703 S HN 0.740 nan 8.310 nan 0.000 0.523 704 Q N -0.200 119.532 119.800 -0.112 0.000 2.360 704 Q HA 0.241 4.784 4.340 0.338 0.000 0.202 704 Q C 1.014 176.977 176.000 -0.062 0.000 0.915 704 Q CA 0.378 56.138 55.803 -0.071 0.000 0.943 704 Q CB 0.149 28.845 28.738 -0.070 0.000 1.064 704 Q HN 0.471 nan 8.270 nan 0.000 0.511 705 K N -0.851 119.503 120.400 -0.077 0.000 2.412 705 K HA 0.159 4.682 4.320 0.338 0.000 0.202 705 K C 0.209 176.784 176.600 -0.042 0.000 1.102 705 K CA 0.311 56.563 56.287 -0.058 0.000 1.027 705 K CB 1.570 34.029 32.500 -0.069 0.000 0.931 705 K HN -0.083 nan 8.250 nan 0.000 0.557 706 T N -0.832 113.698 114.554 -0.039 0.000 2.731 706 T HA 0.253 4.806 4.350 0.338 0.000 0.300 706 T C -1.352 173.350 174.700 0.003 0.000 1.283 706 T CA -0.699 61.390 62.100 -0.019 0.000 1.005 706 T CB 1.040 69.896 68.868 -0.020 0.000 1.420 706 T HN 0.131 nan 8.240 nan 0.000 0.503 707 T N 0.356 114.917 114.554 0.013 0.000 2.909 707 T HA 0.366 4.919 4.350 0.338 0.000 0.289 707 T C 1.259 175.990 174.700 0.051 0.000 1.005 707 T CA -0.457 61.656 62.100 0.022 0.000 1.084 707 T CB 1.204 70.076 68.868 0.007 0.000 0.975 707 T HN 0.764 nan 8.240 nan 0.000 0.509 708 K N 1.917 122.350 120.400 0.056 0.000 2.044 708 K HA -0.093 4.430 4.320 0.338 0.000 0.210 708 K C -0.891 175.726 176.600 0.027 0.000 1.049 708 K CA 1.642 57.972 56.287 0.072 0.000 0.927 708 K CB -1.257 31.205 32.500 -0.062 0.000 0.713 708 K HN 0.470 nan 8.250 nan 0.000 0.443 709 P HA -0.150 nan 4.420 nan 0.000 0.215 709 P C 0.920 178.221 177.300 0.001 0.000 1.153 709 P CA 1.352 64.437 63.100 -0.026 0.000 0.853 709 P CB 0.020 31.704 31.700 -0.026 0.000 0.788 710 Q N -1.163 118.648 119.800 0.020 0.000 2.084 710 Q HA -0.118 4.425 4.340 0.338 0.000 0.202 710 Q C 2.034 178.070 176.000 0.060 0.000 0.978 710 Q CA 2.082 57.903 55.803 0.030 0.000 0.844 710 Q CB -0.707 28.046 28.738 0.025 0.000 0.898 710 Q HN 0.206 nan 8.270 nan 0.000 0.426 711 T N 0.268 114.881 114.554 0.098 0.000 2.904 711 T HA -0.131 4.422 4.350 0.338 0.000 0.267 711 T C 1.579 176.396 174.700 0.196 0.000 1.059 711 T CA 1.289 63.476 62.100 0.144 0.000 1.137 711 T CB -0.073 68.868 68.868 0.122 0.000 0.879 711 T HN 0.262 nan 8.240 nan 0.000 0.467 712 K N 1.125 121.614 120.400 0.149 0.000 2.025 712 K HA -0.144 4.379 4.320 0.338 0.000 0.207 712 K C 2.267 178.694 176.600 -0.289 0.000 1.049 712 K CA 1.402 57.673 56.287 -0.027 0.000 0.933 712 K CB -0.091 32.333 32.500 -0.127 0.000 0.714 712 K HN 0.010 nan 8.250 nan 0.000 0.438 713 E N 0.520 120.616 120.200 -0.172 0.000 2.171 713 E HA -0.177 4.376 4.350 0.338 0.000 0.197 713 E C 1.813 178.404 176.600 -0.016 0.000 0.997 713 E CA 1.575 57.908 56.400 -0.111 0.000 0.810 713 E CB -0.025 29.658 29.700 -0.027 0.000 0.738 713 E HN 0.351 nan 8.360 nan 0.000 0.467 714 M N -0.874 118.757 119.600 0.051 0.000 2.236 714 M HA -0.020 4.663 4.480 0.338 0.000 0.266 714 M C 2.366 178.631 176.300 -0.060 0.000 1.070 714 M CA 1.021 56.361 55.300 0.066 0.000 1.137 714 M CB -0.818 31.974 32.600 0.320 0.000 1.378 714 M HN 0.261 nan 8.290 nan 0.000 0.426 715 M N -0.124 119.517 119.600 0.067 0.000 2.073 715 M HA -0.277 4.406 4.480 0.338 0.000 0.258 715 M C 2.170 178.490 176.300 0.032 0.000 1.070 715 M CA 1.942 57.257 55.300 0.026 0.000 1.103 715 M CB -0.484 32.212 32.600 0.160 0.000 1.321 715 M HN 0.356 nan 8.290 nan 0.000 0.405 716 H N -0.946 118.099 119.070 -0.042 0.000 2.387 716 H HA -0.141 4.620 4.556 0.342 0.000 0.299 716 H C 2.135 177.399 175.328 -0.106 0.000 1.090 716 H CA 1.504 57.516 56.048 -0.059 0.000 1.332 716 H CB -0.045 29.706 29.762 -0.018 0.000 1.386 716 H HN 0.462 nan 8.280 nan 0.000 0.516 717 M N -0.258 119.352 119.600 0.017 0.000 2.175 717 M HA -0.177 4.506 4.480 0.338 0.000 0.264 717 M C 2.834 179.021 176.300 -0.189 0.000 1.063 717 M CA 0.843 56.099 55.300 -0.075 0.000 1.119 717 M CB -0.299 32.257 32.600 -0.073 0.000 1.377 717 M HN 0.397 nan 8.290 nan 0.000 0.415 718 C N 1.132 120.239 119.300 -0.322 0.000 2.446 718 C HA -0.108 4.555 4.460 0.338 0.000 0.277 718 C C 2.710 177.312 174.990 -0.648 0.000 1.275 718 C CA 0.762 59.455 59.018 -0.541 0.000 1.727 718 C CB -0.686 26.597 27.740 -0.763 0.000 2.010 718 C HN 0.528 nan 8.230 nan 0.000 0.486 719 M N 0.091 119.424 119.600 -0.446 0.000 2.202 719 M HA -0.119 4.564 4.480 0.338 0.000 0.262 719 M C 2.347 178.575 176.300 -0.120 0.000 1.063 719 M CA 1.558 56.704 55.300 -0.258 0.000 1.097 719 M CB -0.573 31.956 32.600 -0.118 0.000 1.382 719 M HN 0.418 nan 8.290 nan 0.000 0.413 720 R N 0.198 120.628 120.500 -0.117 0.000 2.235 720 R HA 0.022 4.565 4.340 0.338 0.000 0.213 720 R C 0.480 176.763 176.300 -0.029 0.000 1.059 720 R CA 0.241 56.304 56.100 -0.060 0.000 0.997 720 R CB -0.172 30.097 30.300 -0.052 0.000 0.884 720 R HN 0.542 nan 8.270 nan 0.000 0.462 721 Q N 0.933 120.709 119.800 -0.040 0.000 2.304 721 Q HA -0.112 4.431 4.340 0.338 0.000 0.301 721 Q C 0.776 176.827 176.000 0.085 0.000 1.063 721 Q CA 0.314 56.133 55.803 0.027 0.000 0.947 721 Q CB 0.606 29.376 28.738 0.053 0.000 1.201 721 Q HN 0.249 nan 8.270 nan 0.000 0.389 722 E N 0.841 121.078 120.200 0.061 0.000 2.086 722 E HA -0.282 4.271 4.350 0.338 0.000 0.200 722 E C 1.981 178.621 176.600 0.067 0.000 1.012 722 E CA 2.012 58.445 56.400 0.055 0.000 0.812 722 E CB -0.144 29.578 29.700 0.038 0.000 0.743 722 E HN 0.851 nan 8.360 nan 0.000 0.453 723 T N -1.260 113.339 114.554 0.075 0.000 2.759 723 T HA -0.212 4.341 4.350 0.338 0.000 0.269 723 T C 1.800 176.496 174.700 -0.007 0.000 1.042 723 T CA 1.189 63.305 62.100 0.026 0.000 1.140 723 T CB -0.466 68.405 68.868 0.006 0.000 0.864 723 T HN 0.152 nan 8.240 nan 0.000 0.455 724 Y N 0.885 121.169 120.300 -0.026 0.000 2.176 724 Y HA 0.168 4.935 4.550 0.363 0.000 0.291 724 Y C 2.937 178.818 175.900 -0.030 0.000 1.122 724 Y CA 1.019 59.099 58.100 -0.034 0.000 1.128 724 Y CB -0.366 38.064 38.460 -0.052 0.000 1.005 724 Y HN 0.042 nan 8.280 nan 0.000 0.509 725 M N 0.053 119.732 119.600 0.132 0.000 2.106 725 M HA -0.275 4.408 4.480 0.338 0.000 0.259 725 M C 2.128 178.449 176.300 0.034 0.000 1.068 725 M CA 1.659 56.990 55.300 0.051 0.000 1.100 725 M CB -1.111 31.509 32.600 0.032 0.000 1.351 725 M HN 0.393 nan 8.290 nan 0.000 0.404 726 E N -0.133 120.094 120.200 0.045 0.000 2.077 726 E HA -0.127 4.426 4.350 0.338 0.000 0.193 726 E C 1.885 178.503 176.600 0.030 0.000 0.989 726 E CA 1.382 57.809 56.400 0.045 0.000 0.800 726 E CB 0.106 29.829 29.700 0.039 0.000 0.746 726 E HN 0.467 nan 8.360 nan 0.000 0.452 727 A N 0.304 123.123 122.820 -0.001 0.000 2.021 727 A HA 0.060 4.583 4.320 0.338 0.000 0.216 727 A C 1.934 179.521 177.584 0.005 0.000 1.163 727 A CA 0.310 52.334 52.037 -0.023 0.000 0.676 727 A CB -0.088 18.850 19.000 -0.103 0.000 0.818 727 A HN 0.266 nan 8.150 nan 0.000 0.453 728 L N -0.104 121.136 121.223 0.028 0.000 2.558 728 L HA 0.119 4.662 4.340 0.338 0.000 0.225 728 L C 0.141 177.088 176.870 0.128 0.000 1.128 728 L CA 0.017 54.907 54.840 0.083 0.000 0.868 728 L CB 0.039 42.147 42.059 0.082 0.000 1.006 728 L HN 0.163 nan 8.230 nan 0.000 0.454 729 S N -1.526 114.188 115.700 0.023 0.000 2.578 729 S HA 0.466 5.139 4.470 0.338 0.000 0.301 729 S C -0.388 174.136 174.600 -0.127 0.000 1.091 729 S CA -0.491 57.631 58.200 -0.131 0.000 1.032 729 S CB 1.058 64.020 63.200 -0.396 0.000 1.064 729 S HN 0.271 nan 8.310 nan 0.000 0.508 730 H N 0.027 119.129 119.070 0.053 0.000 2.889 730 H HA -0.129 4.631 4.556 0.340 0.000 0.324 730 H C -0.697 174.633 175.328 0.003 0.000 1.274 730 H CA 0.736 56.794 56.048 0.017 0.000 1.176 730 H CB -2.254 27.526 29.762 0.030 0.000 1.479 730 H HN 0.607 nan 8.280 nan 0.000 0.438 731 L N -2.387 118.856 121.223 0.034 0.000 2.303 731 L HA 0.656 5.199 4.340 0.338 0.000 0.256 731 L C 0.089 176.936 176.870 -0.040 0.000 1.034 731 L CA -1.266 53.583 54.840 0.016 0.000 0.832 731 L CB 1.968 44.035 42.059 0.013 0.000 1.403 731 L HN 0.006 nan 8.230 nan 0.000 0.419 732 Q N 0.832 120.641 119.800 0.015 0.000 2.259 732 Q HA 0.298 4.841 4.340 0.338 0.000 0.249 732 Q C -0.300 175.685 176.000 -0.025 0.000 0.914 732 Q CA -0.550 55.248 55.803 -0.008 0.000 0.904 732 Q CB 1.653 30.436 28.738 0.074 0.000 1.213 732 Q HN 0.707 nan 8.270 nan 0.000 0.428 733 S N 2.331 117.983 115.700 -0.080 0.000 2.488 733 S HA 0.095 4.768 4.470 0.338 0.000 0.278 733 S C -1.735 172.867 174.600 0.004 0.000 1.259 733 S CA -1.393 56.762 58.200 -0.075 0.000 1.061 733 S CB 0.420 63.567 63.200 -0.088 0.000 0.910 733 S HN 0.364 nan 8.310 nan 0.000 0.491 734 P HA -0.069 nan 4.420 nan 0.000 0.221 734 P C 0.995 178.328 177.300 0.055 0.000 1.145 734 P CA 0.930 64.031 63.100 0.000 0.000 0.795 734 P CB 0.051 31.490 31.700 -0.435 0.000 0.775 735 L N -1.735 119.524 121.223 0.060 0.000 2.217 735 L HA 0.027 4.570 4.340 0.338 0.000 0.211 735 L C 0.598 177.661 176.870 0.320 0.000 1.107 735 L CA 0.902 55.855 54.840 0.189 0.000 0.783 735 L CB -0.311 41.817 42.059 0.115 0.000 0.919 735 L HN 0.007 nan 8.230 nan 0.000 0.442 736 D N -1.556 118.939 120.400 0.158 0.000 2.484 736 D HA 0.090 4.933 4.640 0.338 0.000 0.206 736 D C -2.256 173.999 176.300 -0.074 0.000 1.322 736 D CA -1.324 52.763 54.000 0.145 0.000 0.913 736 D CB 1.522 42.399 40.800 0.127 0.000 1.559 736 D HN -0.295 nan 8.370 nan 0.000 0.565 737 P HA -0.103 nan 4.420 nan 0.000 0.225 737 P C 0.958 178.228 177.300 -0.049 0.000 1.148 737 P CA 0.742 63.660 63.100 -0.303 0.000 0.779 737 P CB 0.138 31.524 31.700 -0.524 0.000 0.780 738 S N -2.440 113.255 115.700 -0.008 0.000 2.603 738 S HA 0.043 4.716 4.470 0.338 0.000 0.220 738 S C 0.886 175.470 174.600 -0.027 0.000 0.967 738 S CA 0.033 58.270 58.200 0.062 0.000 0.920 738 S CB -1.164 62.081 63.200 0.074 0.000 0.773 738 S HN 0.005 nan 8.310 nan 0.000 0.529 739 T N 3.425 117.946 114.554 -0.055 0.000 2.743 739 T HA 0.462 5.015 4.350 0.338 0.000 0.293 739 T C -0.309 174.305 174.700 -0.142 0.000 0.945 739 T CA -0.411 61.636 62.100 -0.089 0.000 1.030 739 T CB 0.702 69.535 68.868 -0.059 0.000 0.912 739 T HN 0.267 nan 8.240 nan 0.000 0.483 740 L N 4.647 125.764 121.223 -0.177 0.000 2.265 740 L HA 0.436 4.979 4.340 0.338 0.000 0.288 740 L C -0.108 176.642 176.870 -0.201 0.000 1.058 740 L CA -0.654 54.066 54.840 -0.199 0.000 0.809 740 L CB 0.684 42.607 42.059 -0.226 0.000 1.179 740 L HN 0.427 nan 8.230 nan 0.000 0.429 741 L N 4.345 125.401 121.223 -0.279 0.000 2.287 741 L HA 0.273 4.816 4.340 0.338 0.000 0.280 741 L C 0.757 177.471 176.870 -0.259 0.000 1.055 741 L CA -0.441 54.089 54.840 -0.517 0.000 0.863 741 L CB 0.801 42.236 42.059 -1.041 0.000 1.245 741 L HN 0.669 nan 8.230 nan 0.000 0.432 742 E N 2.613 122.786 120.200 -0.044 0.000 2.332 742 E HA 0.058 4.611 4.350 0.338 0.000 0.257 742 E C 0.081 176.659 176.600 -0.037 0.000 0.786 742 E CA 0.250 56.684 56.400 0.057 0.000 1.380 742 E CB 0.156 29.931 29.700 0.125 0.000 1.300 742 E HN 0.479 nan 8.360 nan 0.000 0.536 743 E N 2.125 122.345 120.200 0.033 0.000 2.194 743 E HA 0.218 4.771 4.350 0.338 0.000 0.284 743 E C -0.031 176.580 176.600 0.019 0.000 1.035 743 E CA -0.366 56.020 56.400 -0.024 0.000 0.836 743 E CB 1.715 31.419 29.700 0.006 0.000 1.070 743 E HN 0.011 nan 8.360 nan 0.000 0.401 744 V N 3.381 123.236 119.914 -0.098 0.000 2.521 744 V HA 0.003 4.326 4.120 0.338 0.000 0.286 744 V C -0.261 175.688 176.094 -0.242 0.000 1.034 744 V CA -0.627 61.437 62.300 -0.394 0.000 1.045 744 V CB 0.037 31.541 31.823 -0.531 0.000 0.974 744 V HN 0.790 nan 8.190 nan 0.000 0.480 745 C N 7.080 126.245 119.300 -0.225 0.000 2.345 745 C HA 0.196 4.859 4.460 0.338 0.000 0.349 745 C C 1.846 176.722 174.990 -0.190 0.000 1.130 745 C CA -0.667 58.262 59.018 -0.149 0.000 1.574 745 C CB -1.202 26.485 27.740 -0.090 0.000 2.108 745 C HN 0.862 nan 8.230 nan 0.000 0.516 746 V N 2.716 122.498 119.914 -0.220 0.000 2.392 746 V HA -0.181 4.142 4.120 0.338 0.000 0.249 746 V C 2.473 178.233 176.094 -0.557 0.000 1.059 746 V CA 1.842 63.941 62.300 -0.336 0.000 1.051 746 V CB -0.296 31.346 31.823 -0.302 0.000 0.658 746 V HN 0.770 nan 8.190 nan 0.000 0.455 747 E N -0.437 119.548 120.200 -0.358 0.000 2.268 747 E HA -0.145 4.408 4.350 0.338 0.000 0.195 747 E C 2.153 178.698 176.600 -0.092 0.000 0.995 747 E CA 0.687 56.914 56.400 -0.290 0.000 0.836 747 E CB -0.051 29.592 29.700 -0.094 0.000 0.763 747 E HN 0.579 nan 8.360 nan 0.000 0.491 748 Q N -0.768 118.998 119.800 -0.058 0.000 2.356 748 Q HA 0.064 4.607 4.340 0.338 0.000 0.205 748 Q C 0.653 176.763 176.000 0.182 0.000 0.901 748 Q CA 0.039 55.885 55.803 0.070 0.000 0.938 748 Q CB 0.030 28.812 28.738 0.073 0.000 1.081 748 Q HN 0.170 nan 8.270 nan 0.000 0.517 749 C N 0.379 119.775 119.300 0.160 0.000 2.534 749 C HA 0.665 5.328 4.460 0.338 0.000 0.385 749 C C 1.167 176.380 174.990 0.371 0.000 1.264 749 C CA -0.231 58.954 59.018 0.279 0.000 2.342 749 C CB 0.962 28.793 27.740 0.151 0.000 2.564 749 C HN 0.396 nan 8.230 nan 0.000 0.603 750 T N -0.145 114.615 114.554 0.343 0.000 2.646 750 T HA 0.690 5.243 4.350 0.338 0.000 0.297 750 T C -1.944 172.954 174.700 0.330 0.000 1.363 750 T CA -0.355 61.878 62.100 0.221 0.000 1.056 750 T CB 0.587 69.432 68.868 -0.038 0.000 1.779 750 T HN 0.898 nan 8.240 nan 0.000 0.459 751 F N 0.310 120.314 119.950 0.091 0.000 2.619 751 F HA 0.866 5.598 4.527 0.341 0.000 0.308 751 F C -0.963 174.870 175.800 0.054 0.000 1.097 751 F CA -1.362 56.706 58.000 0.115 0.000 0.953 751 F CB 1.052 40.113 39.000 0.102 0.000 1.287 751 F HN 0.513 nan 8.300 nan 0.000 0.446 752 M N 2.492 122.223 119.600 0.218 0.000 2.255 752 M HA 0.229 4.912 4.480 0.338 0.000 0.336 752 M C 0.719 177.106 176.300 0.146 0.000 1.135 752 M CA 0.113 55.456 55.300 0.072 0.000 1.145 752 M CB 0.548 33.218 32.600 0.116 0.000 1.473 752 M HN 0.613 nan 8.290 nan 0.000 0.462 753 D N 0.110 120.522 120.400 0.019 0.000 2.363 753 D HA 0.017 4.860 4.640 0.338 0.000 0.226 753 D C -0.053 176.297 176.300 0.085 0.000 1.020 753 D CA 0.325 54.364 54.000 0.064 0.000 0.892 753 D CB -0.066 40.719 40.800 -0.026 0.000 0.900 753 D HN 0.550 nan 8.370 nan 0.000 0.531 754 S N 0.723 116.473 115.700 0.083 0.000 2.589 754 S HA 0.015 4.688 4.470 0.338 0.000 0.265 754 S C 1.375 176.018 174.600 0.072 0.000 1.342 754 S CA -0.622 57.617 58.200 0.066 0.000 1.005 754 S CB 2.019 65.256 63.200 0.062 0.000 0.909 754 S HN 0.059 nan 8.310 nan 0.000 0.555 755 K N 0.112 120.541 120.400 0.048 0.000 2.030 755 K HA -0.204 4.319 4.320 0.338 0.000 0.222 755 K C 1.421 178.042 176.600 0.035 0.000 1.056 755 K CA 1.751 58.059 56.287 0.036 0.000 0.957 755 K CB -0.250 32.266 32.500 0.026 0.000 0.727 755 K HN 0.508 nan 8.250 nan 0.000 0.452 756 M N 1.330 120.951 119.600 0.035 0.000 2.659 756 M HA 0.003 4.686 4.480 0.338 0.000 0.243 756 M C -0.319 176.010 176.300 0.047 0.000 1.111 756 M CA 0.556 55.870 55.300 0.024 0.000 1.070 756 M CB -0.341 32.261 32.600 0.004 0.000 1.525 756 M HN 0.036 nan 8.290 nan 0.000 0.517 757 K N -0.069 120.383 120.400 0.086 0.000 4.040 757 K HA -0.138 4.385 4.320 0.338 0.000 0.279 757 K C -2.556 174.154 176.600 0.182 0.000 0.890 757 K CA 0.230 56.612 56.287 0.158 0.000 0.782 757 K CB -2.106 30.412 32.500 0.029 0.000 1.613 757 K HN 0.298 nan 8.250 nan 0.000 0.440 758 P HA 0.094 nan 4.420 nan 0.000 0.272 758 P C 0.558 178.044 177.300 0.309 0.000 1.223 758 P CA -0.283 62.937 63.100 0.200 0.000 0.784 758 P CB 0.751 32.539 31.700 0.146 0.000 0.923 759 L N 1.652 123.082 121.223 0.344 0.000 2.375 759 L HA 0.378 4.921 4.340 0.338 0.000 0.271 759 L C 0.397 177.494 176.870 0.379 0.000 1.107 759 L CA -0.409 54.658 54.840 0.379 0.000 0.806 759 L CB 0.993 43.262 42.059 0.349 0.000 1.146 759 L HN 0.438 nan 8.230 nan 0.000 0.447 760 W N 5.365 126.764 121.300 0.165 0.000 2.362 760 W HA 0.427 5.287 4.660 0.334 0.000 0.316 760 W C -1.693 174.876 176.519 0.083 0.000 1.024 760 W CA -0.602 56.809 57.345 0.111 0.000 1.270 760 W CB 1.456 30.962 29.460 0.077 0.000 1.273 760 W HN 0.223 nan 8.180 nan 0.000 0.424 761 I N 7.557 128.098 120.570 -0.049 0.000 2.418 761 I HA 0.288 4.661 4.170 0.338 0.000 0.287 761 I C 0.177 176.161 176.117 -0.222 0.000 1.008 761 I CA -1.173 60.077 61.300 -0.084 0.000 1.104 761 I CB 1.422 39.385 38.000 -0.062 0.000 1.264 761 I HN 0.271 nan 8.210 nan 0.000 0.438 762 M N 5.743 125.212 119.600 -0.219 0.000 2.444 762 M HA 0.469 5.152 4.480 0.338 0.000 0.319 762 M C -0.931 175.142 176.300 -0.377 0.000 1.183 762 M CA -0.500 54.696 55.300 -0.173 0.000 1.032 762 M CB 1.401 33.992 32.600 -0.016 0.000 1.569 762 M HN 0.305 nan 8.290 nan 0.000 0.468 763 Y N -0.674 119.600 120.300 -0.043 0.000 2.553 763 Y HA 0.555 5.310 4.550 0.342 0.000 0.347 763 Y C 0.141 176.023 175.900 -0.031 0.000 1.019 763 Y CA -0.599 57.475 58.100 -0.044 0.000 1.032 763 Y CB 2.207 40.634 38.460 -0.055 0.000 1.284 763 Y HN 0.749 nan 8.280 nan 0.000 0.466 764 S N 0.130 115.916 115.700 0.143 0.000 2.661 764 S HA 0.843 5.516 4.470 0.338 0.000 0.285 764 S C -1.124 173.520 174.600 0.074 0.000 1.138 764 S CA -0.871 57.379 58.200 0.082 0.000 0.855 764 S CB 1.978 65.203 63.200 0.043 0.000 1.136 764 S HN 0.577 nan 8.310 nan 0.000 0.484 765 S N -0.312 115.413 115.700 0.042 0.000 2.720 765 S HA 0.333 5.006 4.470 0.338 0.000 0.278 765 S C 0.358 174.964 174.600 0.009 0.000 1.172 765 S CA -0.558 57.659 58.200 0.028 0.000 1.019 765 S CB 1.528 64.731 63.200 0.005 0.000 1.049 765 S HN 0.849 nan 8.310 nan 0.000 0.483 766 E N 2.351 122.558 120.200 0.012 0.000 2.077 766 E HA -0.175 4.378 4.350 0.338 0.000 0.193 766 E C 1.338 177.926 176.600 -0.021 0.000 0.989 766 E CA 1.250 57.649 56.400 -0.002 0.000 0.800 766 E CB 0.034 29.737 29.700 0.005 0.000 0.746 766 E HN 0.713 nan 8.360 nan 0.000 0.452 767 E N 0.156 120.345 120.200 -0.020 0.000 2.204 767 E HA -0.078 4.475 4.350 0.338 0.000 0.194 767 E C 1.304 177.869 176.600 -0.059 0.000 0.989 767 E CA 1.224 57.602 56.400 -0.035 0.000 0.824 767 E CB -0.040 29.643 29.700 -0.029 0.000 0.756 767 E HN 0.276 nan 8.360 nan 0.000 0.477 768 A N -0.761 122.023 122.820 -0.059 0.000 2.169 768 A HA 0.528 5.051 4.320 0.338 0.000 0.210 768 A C 1.506 179.038 177.584 -0.086 0.000 1.168 768 A CA 0.936 52.927 52.037 -0.077 0.000 0.813 768 A CB -0.377 18.582 19.000 -0.069 0.000 0.861 768 A HN 0.424 nan 8.150 nan 0.000 0.481 769 G N -0.148 108.607 108.800 -0.076 0.000 2.514 769 G HA2 -0.310 3.853 3.960 0.338 0.000 0.265 769 G HA3 -0.310 3.853 3.960 0.338 0.000 0.265 769 G C 1.293 176.172 174.900 -0.036 0.000 1.150 769 G CA 0.968 46.019 45.100 -0.082 0.000 0.959 769 G HN 1.446 nan 8.290 nan 0.000 0.556 770 S N 1.036 116.719 115.700 -0.028 0.000 2.561 770 S HA 0.436 5.109 4.470 0.338 0.000 0.225 770 S C 2.311 176.937 174.600 0.043 0.000 0.977 770 S CA 1.392 59.606 58.200 0.023 0.000 0.926 770 S CB -0.207 63.018 63.200 0.041 0.000 0.769 770 S HN 1.974 nan 8.310 nan 0.000 0.533 771 A N 0.666 123.500 122.820 0.024 0.000 2.081 771 A HA 0.466 4.989 4.320 0.338 0.000 0.214 771 A C 2.059 179.654 177.584 0.018 0.000 1.158 771 A CA 0.675 52.738 52.037 0.043 0.000 0.724 771 A CB -0.964 18.064 19.000 0.046 0.000 0.826 771 A HN 0.617 nan 8.150 nan 0.000 0.463 772 G N -0.330 108.471 108.800 0.001 0.000 2.920 772 G HA2 0.011 4.174 3.960 0.338 0.000 0.208 772 G HA3 0.011 4.174 3.960 0.338 0.000 0.208 772 G C 0.229 175.147 174.900 0.031 0.000 1.159 772 G CA -0.234 44.866 45.100 -0.000 0.000 0.784 772 G HN 0.360 nan 8.290 nan 0.000 0.535 773 N N 1.338 120.062 118.700 0.041 0.000 3.083 773 N HA 0.268 5.211 4.740 0.338 0.000 0.260 773 N C -0.097 175.442 175.510 0.048 0.000 1.163 773 N CA 0.035 53.118 53.050 0.054 0.000 1.060 773 N CB 1.439 39.958 38.487 0.054 0.000 1.345 773 N HN 0.180 nan 8.380 nan 0.000 0.515 774 V N -1.921 118.027 119.914 0.056 0.000 3.158 774 V HA 1.037 5.360 4.120 0.338 0.000 0.315 774 V C 0.518 176.639 176.094 0.045 0.000 1.148 774 V CA -0.993 61.325 62.300 0.028 0.000 1.042 774 V CB 1.810 33.638 31.823 0.009 0.000 1.101 774 V HN 0.303 nan 8.190 nan 0.000 0.448 775 G N 0.431 109.208 108.800 -0.038 0.000 2.690 775 G HA2 0.798 4.961 3.960 0.338 0.000 0.293 775 G HA3 0.798 4.961 3.960 0.338 0.000 0.293 775 G C -1.291 173.511 174.900 -0.164 0.000 1.399 775 G CA -0.488 44.534 45.100 -0.130 0.000 0.890 775 G HN 1.495 nan 8.290 nan 0.000 0.485 776 I N -2.065 118.415 120.570 -0.149 0.000 3.074 776 I HA 0.803 5.176 4.170 0.338 0.000 0.310 776 I C -1.394 174.647 176.117 -0.126 0.000 1.153 776 I CA -1.585 59.662 61.300 -0.089 0.000 0.993 776 I CB 2.639 40.667 38.000 0.047 0.000 1.237 776 I HN 0.344 nan 8.210 nan 0.000 0.443 777 I N 2.865 123.415 120.570 -0.034 0.000 2.466 777 I HA 0.391 4.764 4.170 0.338 0.000 0.289 777 I C -1.347 174.867 176.117 0.162 0.000 1.026 777 I CA -0.479 60.852 61.300 0.052 0.000 1.078 777 I CB 2.335 40.354 38.000 0.033 0.000 1.249 777 I HN 0.465 nan 8.210 nan 0.000 0.429 778 F N 7.285 127.269 119.950 0.057 0.000 2.420 778 F HA 0.562 5.291 4.527 0.337 0.000 0.342 778 F C -0.310 175.532 175.800 0.071 0.000 1.113 778 F CA -0.341 57.692 58.000 0.056 0.000 1.059 778 F CB 0.865 39.905 39.000 0.066 0.000 1.128 778 F HN 0.290 nan 8.300 nan 0.000 0.475 779 K N 4.858 124.935 120.400 -0.539 0.000 2.443 779 K HA 0.396 4.919 4.320 0.338 0.000 0.252 779 K C -1.884 174.346 176.600 -0.616 0.000 0.933 779 K CA -0.835 55.209 56.287 -0.404 0.000 0.792 779 K CB 1.512 33.919 32.500 -0.155 0.000 1.185 779 K HN 0.776 nan 8.250 nan 0.000 0.425 780 N N 1.955 120.419 118.700 -0.394 0.000 2.430 780 N HA 0.481 5.424 4.740 0.338 0.000 0.290 780 N C -0.108 175.330 175.510 -0.119 0.000 1.063 780 N CA 0.349 53.224 53.050 -0.291 0.000 0.883 780 N CB 1.978 40.348 38.487 -0.194 0.000 1.465 780 N HN 0.684 nan 8.380 nan 0.000 0.493 781 G N 1.745 110.485 108.800 -0.100 0.000 2.421 781 G HA2 -0.122 4.041 3.960 0.338 0.000 0.188 781 G HA3 -0.122 4.041 3.960 0.338 0.000 0.188 781 G C -0.895 173.973 174.900 -0.053 0.000 1.001 781 G CA -0.313 44.752 45.100 -0.058 0.000 0.693 781 G HN 0.606 nan 8.290 nan 0.000 0.479 782 D N 0.380 120.739 120.400 -0.069 0.000 2.527 782 D HA 0.490 5.333 4.640 0.338 0.000 0.233 782 D C -1.351 174.915 176.300 -0.056 0.000 1.063 782 D CA -0.427 53.542 54.000 -0.052 0.000 0.880 782 D CB 1.827 42.602 40.800 -0.041 0.000 1.457 782 D HN -0.003 nan 8.370 nan 0.000 0.475 783 D N 0.995 121.368 120.400 -0.044 0.000 2.348 783 D HA 0.135 4.978 4.640 0.338 0.000 0.253 783 D C 0.712 176.988 176.300 -0.040 0.000 1.161 783 D CA 0.053 54.030 54.000 -0.038 0.000 0.876 783 D CB 0.893 41.670 40.800 -0.039 0.000 1.160 783 D HN 0.250 nan 8.370 nan 0.000 0.459 784 L N 3.649 124.855 121.223 -0.028 0.000 2.590 784 L HA 0.177 4.720 4.340 0.338 0.000 0.227 784 L C 2.308 179.171 176.870 -0.012 0.000 1.099 784 L CA -0.221 54.611 54.840 -0.013 0.000 0.872 784 L CB 0.122 42.177 42.059 -0.007 0.000 1.088 784 L HN 0.300 nan 8.230 nan 0.000 0.479 785 R N 0.455 120.943 120.500 -0.021 0.000 2.115 785 R HA -0.312 4.231 4.340 0.338 0.000 0.239 785 R C 2.153 178.400 176.300 -0.088 0.000 1.133 785 R CA 2.345 58.424 56.100 -0.036 0.000 0.935 785 R CB -0.497 29.784 30.300 -0.032 0.000 0.853 785 R HN 0.316 nan 8.270 nan 0.000 0.433 786 Q N 1.077 120.791 119.800 -0.144 0.000 2.045 786 Q HA -0.233 4.310 4.340 0.338 0.000 0.206 786 Q C 1.399 177.267 176.000 -0.220 0.000 0.991 786 Q CA 2.342 57.977 55.803 -0.280 0.000 0.851 786 Q CB -0.184 28.331 28.738 -0.372 0.000 0.911 786 Q HN 0.276 nan 8.270 nan 0.000 0.418 787 D N -0.487 119.868 120.400 -0.075 0.000 2.123 787 D HA -0.193 4.650 4.640 0.338 0.000 0.196 787 D C 1.794 178.113 176.300 0.030 0.000 0.992 787 D CA 1.574 55.619 54.000 0.075 0.000 0.833 787 D CB -0.078 40.818 40.800 0.160 0.000 0.954 787 D HN 0.351 nan 8.370 nan 0.000 0.455 788 M N -0.216 119.380 119.600 -0.006 0.000 2.117 788 M HA -0.159 4.524 4.480 0.338 0.000 0.262 788 M C 1.883 178.143 176.300 -0.068 0.000 1.065 788 M CA 1.189 56.476 55.300 -0.021 0.000 1.114 788 M CB 0.009 32.613 32.600 0.006 0.000 1.361 788 M HN 0.152 nan 8.290 nan 0.000 0.408 789 L N 0.079 121.249 121.223 -0.089 0.000 1.988 789 L HA -0.129 4.414 4.340 0.338 0.000 0.207 789 L C 2.099 178.931 176.870 -0.063 0.000 1.071 789 L CA 2.276 57.056 54.840 -0.100 0.000 0.744 789 L CB -1.163 40.835 42.059 -0.101 0.000 0.893 789 L HN 0.303 nan 8.230 nan 0.000 0.433 790 T N 0.523 115.039 114.554 -0.064 0.000 2.564 790 T HA -0.324 4.229 4.350 0.338 0.000 0.264 790 T C 1.924 176.502 174.700 -0.202 0.000 1.100 790 T CA 2.524 64.543 62.100 -0.135 0.000 1.171 790 T CB -0.784 67.846 68.868 -0.398 0.000 0.863 790 T HN 0.346 nan 8.240 nan 0.000 0.430 791 L N 0.898 122.000 121.223 -0.202 0.000 2.129 791 L HA -0.217 4.326 4.340 0.338 0.000 0.212 791 L C 2.940 179.731 176.870 -0.132 0.000 1.087 791 L CA 1.513 56.257 54.840 -0.159 0.000 0.757 791 L CB -0.608 41.346 42.059 -0.175 0.000 0.896 791 L HN 0.381 nan 8.230 nan 0.000 0.434 792 Q N -1.222 118.504 119.800 -0.124 0.000 2.123 792 Q HA -0.154 4.389 4.340 0.338 0.000 0.199 792 Q C 2.304 178.249 176.000 -0.092 0.000 0.966 792 Q CA 1.057 56.776 55.803 -0.141 0.000 0.845 792 Q CB -0.071 28.560 28.738 -0.178 0.000 0.907 792 Q HN 0.474 nan 8.270 nan 0.000 0.439 793 M N -0.014 119.575 119.600 -0.018 0.000 2.229 793 M HA -0.104 4.579 4.480 0.338 0.000 0.264 793 M C 2.079 178.403 176.300 0.040 0.000 1.063 793 M CA 1.280 56.647 55.300 0.112 0.000 1.114 793 M CB -0.604 32.149 32.600 0.255 0.000 1.387 793 M HN 0.226 nan 8.290 nan 0.000 0.420 794 I N 0.030 120.574 120.570 -0.043 0.000 2.233 794 I HA -0.303 4.070 4.170 0.338 0.000 0.243 794 I C 2.634 178.684 176.117 -0.112 0.000 1.093 794 I CA 1.107 62.358 61.300 -0.083 0.000 1.380 794 I CB -0.371 37.613 38.000 -0.027 0.000 1.067 794 I HN 0.301 nan 8.210 nan 0.000 0.413 795 Q N 1.070 120.817 119.800 -0.088 0.000 2.135 795 Q HA -0.261 4.282 4.340 0.338 0.000 0.204 795 Q C 2.102 178.024 176.000 -0.130 0.000 0.981 795 Q CA 1.933 57.681 55.803 -0.091 0.000 0.856 795 Q CB -0.304 28.372 28.738 -0.103 0.000 0.902 795 Q HN 0.438 nan 8.270 nan 0.000 0.425 796 L N -0.303 120.834 121.223 -0.144 0.000 2.072 796 L HA -0.008 4.535 4.340 0.338 0.000 0.205 796 L C 2.108 178.835 176.870 -0.239 0.000 1.079 796 L CA 1.717 56.451 54.840 -0.176 0.000 0.752 796 L CB -0.431 41.526 42.059 -0.169 0.000 0.906 796 L HN 0.383 nan 8.230 nan 0.000 0.436 797 M N -0.591 118.827 119.600 -0.304 0.000 2.082 797 M HA -0.259 4.424 4.480 0.338 0.000 0.258 797 M C 1.992 177.713 176.300 -0.965 0.000 1.069 797 M CA 2.273 57.069 55.300 -0.841 0.000 1.102 797 M CB -0.667 31.227 32.600 -1.176 0.000 1.336 797 M HN 0.327 nan 8.290 nan 0.000 0.404 798 D N 0.042 120.183 120.400 -0.431 0.000 2.117 798 D HA -0.116 4.727 4.640 0.338 0.000 0.198 798 D C 1.782 178.079 176.300 -0.004 0.000 0.982 798 D CA 1.137 55.139 54.000 0.004 0.000 0.828 798 D CB 0.041 40.877 40.800 0.060 0.000 0.967 798 D HN 0.099 nan 8.370 nan 0.000 0.464 799 V N 0.593 120.446 119.914 -0.102 0.000 2.332 799 V HA -0.240 4.083 4.120 0.338 0.000 0.248 799 V C 2.677 178.715 176.094 -0.092 0.000 1.055 799 V CA 1.400 63.647 62.300 -0.088 0.000 1.038 799 V CB -0.479 31.268 31.823 -0.126 0.000 0.651 799 V HN 0.320 nan 8.190 nan 0.000 0.450 800 L N -1.921 119.189 121.223 -0.188 0.000 2.072 800 L HA -0.115 4.428 4.340 0.338 0.000 0.205 800 L C 2.618 179.513 176.870 0.040 0.000 1.079 800 L CA 1.404 56.136 54.840 -0.180 0.000 0.752 800 L CB -0.611 41.257 42.059 -0.318 0.000 0.906 800 L HN 0.395 nan 8.230 nan 0.000 0.436 801 W N 1.250 122.556 121.300 0.010 0.000 2.332 801 W HA -0.184 4.678 4.660 0.338 0.000 0.321 801 W C 2.569 179.090 176.519 0.003 0.000 1.219 801 W CA 0.947 58.299 57.345 0.012 0.000 1.277 801 W CB -1.028 28.430 29.460 -0.003 0.000 1.161 801 W HN 0.125 nan 8.180 nan 0.000 0.476 802 K N 0.145 120.689 120.400 0.240 0.000 2.074 802 K HA -0.226 4.297 4.320 0.338 0.000 0.209 802 K C 1.928 178.578 176.600 0.084 0.000 1.048 802 K CA 1.818 58.182 56.287 0.128 0.000 0.926 802 K CB -0.540 32.010 32.500 0.083 0.000 0.713 802 K HN 0.273 nan 8.250 nan 0.000 0.444 803 Q N 0.394 120.233 119.800 0.064 0.000 2.368 803 Q HA -0.134 4.409 4.340 0.338 0.000 0.210 803 Q C 0.491 176.536 176.000 0.075 0.000 0.982 803 Q CA 0.854 56.685 55.803 0.046 0.000 0.884 803 Q CB 0.169 28.921 28.738 0.023 0.000 0.933 803 Q HN 0.307 nan 8.270 nan 0.000 0.460 804 E N -0.431 119.837 120.200 0.112 0.000 2.496 804 E HA 0.143 4.696 4.350 0.338 0.000 0.202 804 E C 0.380 177.029 176.600 0.082 0.000 1.021 804 E CA 0.134 56.598 56.400 0.106 0.000 1.015 804 E CB 0.721 30.505 29.700 0.140 0.000 1.102 804 E HN 0.379 nan 8.360 nan 0.000 0.452 805 G N 2.005 110.846 108.800 0.069 0.000 2.323 805 G HA2 -0.274 3.889 3.960 0.338 0.000 0.292 805 G HA3 -0.274 3.889 3.960 0.338 0.000 0.292 805 G C -0.226 174.704 174.900 0.049 0.000 1.040 805 G CA 0.509 45.641 45.100 0.054 0.000 0.942 805 G HN 0.254 nan 8.290 nan 0.000 0.506 806 L N 0.425 121.686 121.223 0.063 0.000 2.372 806 L HA 0.676 5.219 4.340 0.338 0.000 0.273 806 L C -1.001 175.883 176.870 0.024 0.000 0.989 806 L CA -1.270 53.575 54.840 0.008 0.000 0.841 806 L CB 1.926 43.961 42.059 -0.040 0.000 1.225 806 L HN 0.110 nan 8.230 nan 0.000 0.414 807 D N 5.002 125.391 120.400 -0.018 0.000 2.427 807 D HA 0.261 5.104 4.640 0.338 0.000 0.226 807 D C 0.234 176.476 176.300 -0.096 0.000 1.076 807 D CA -0.114 53.883 54.000 -0.005 0.000 0.849 807 D CB 1.021 41.838 40.800 0.028 0.000 1.052 807 D HN 0.644 nan 8.370 nan 0.000 0.515 808 L N 3.959 125.124 121.223 -0.097 0.000 2.685 808 L HA 0.211 4.754 4.340 0.338 0.000 0.233 808 L C 0.675 177.510 176.870 -0.059 0.000 1.173 808 L CA -0.332 54.400 54.840 -0.180 0.000 0.961 808 L CB -0.079 41.776 42.059 -0.340 0.000 1.217 808 L HN 0.284 nan 8.230 nan 0.000 0.478 809 R N -0.861 119.624 120.500 -0.025 0.000 3.525 809 R HA -0.158 4.385 4.340 0.338 0.000 0.276 809 R C 0.010 176.366 176.300 0.093 0.000 1.116 809 R CA 0.547 56.642 56.100 -0.009 0.000 0.745 809 R CB -1.957 28.323 30.300 -0.034 0.000 1.185 809 R HN 0.292 nan 8.270 nan 0.000 0.454 810 M N 0.029 119.704 119.600 0.124 0.000 2.245 810 M HA 0.030 4.713 4.480 0.338 0.000 0.312 810 M C 0.998 177.433 176.300 0.224 0.000 1.070 810 M CA 1.034 56.461 55.300 0.212 0.000 1.162 810 M CB -0.043 32.645 32.600 0.146 0.000 1.448 810 M HN 0.001 nan 8.290 nan 0.000 0.446 811 T N 3.421 118.179 114.554 0.340 0.000 3.401 811 T HA 0.313 4.866 4.350 0.338 0.000 0.341 811 T C -2.258 172.545 174.700 0.171 0.000 1.674 811 T CA -0.930 61.247 62.100 0.128 0.000 1.600 811 T CB 0.211 68.943 68.868 -0.227 0.000 0.974 811 T HN 0.390 nan 8.240 nan 0.000 0.672 812 P HA 0.113 nan 4.420 nan 0.000 0.241 812 P C -0.320 176.985 177.300 0.009 0.000 1.760 812 P CA -0.483 62.644 63.100 0.044 0.000 1.081 812 P CB -0.993 30.722 31.700 0.025 0.000 1.975 813 Y N -0.315 120.007 120.300 0.036 0.000 2.397 813 Y HA 0.502 5.256 4.550 0.339 0.000 0.335 813 Y C 0.985 176.923 175.900 0.063 0.000 1.213 813 Y CA -1.223 56.888 58.100 0.018 0.000 1.391 813 Y CB -0.102 38.344 38.460 -0.023 0.000 1.293 813 Y HN 0.240 nan 8.280 nan 0.000 0.557 814 G N 1.194 110.105 108.800 0.186 0.000 2.353 814 G HA2 0.269 4.432 3.960 0.338 0.000 0.239 814 G HA3 0.269 4.432 3.960 0.338 0.000 0.239 814 G C -1.110 173.897 174.900 0.178 0.000 1.295 814 G CA -0.097 45.088 45.100 0.142 0.000 0.884 814 G HN 1.130 nan 8.290 nan 0.000 0.537 815 C N 4.029 123.390 119.300 0.103 0.000 2.705 815 C HA 0.654 5.317 4.460 0.338 0.000 0.369 815 C C -1.147 173.891 174.990 0.081 0.000 1.069 815 C CA -0.938 58.148 59.018 0.112 0.000 1.260 815 C CB 0.367 28.164 27.740 0.095 0.000 1.764 815 C HN 0.826 nan 8.230 nan 0.000 0.469 816 L N 8.890 130.152 121.223 0.065 0.000 2.504 816 L HA 0.680 5.223 4.340 0.338 0.000 0.265 816 L C -2.593 174.273 176.870 -0.007 0.000 0.975 816 L CA -1.301 53.567 54.840 0.047 0.000 0.864 816 L CB 2.087 44.162 42.059 0.025 0.000 1.212 816 L HN 0.487 nan 8.230 nan 0.000 0.416 817 P HA 0.428 nan 4.420 nan 0.000 0.275 817 P C -0.029 177.284 177.300 0.021 0.000 1.228 817 P CA -0.188 62.925 63.100 0.021 0.000 0.786 817 P CB 1.021 32.760 31.700 0.066 0.000 0.927 818 T N -1.190 113.370 114.554 0.009 0.000 2.966 818 T HA 0.495 5.048 4.350 0.338 0.000 0.254 818 T C 0.640 175.449 174.700 0.182 0.000 0.961 818 T CA 0.372 62.495 62.100 0.039 0.000 0.915 818 T CB -0.124 68.631 68.868 -0.188 0.000 1.186 818 T HN 0.499 nan 8.240 nan 0.000 0.505 819 G N 0.423 109.289 108.800 0.109 0.000 2.570 819 G HA2 0.433 4.596 3.960 0.338 0.000 0.310 819 G HA3 0.433 4.596 3.960 0.338 0.000 0.310 819 G C -1.967 172.889 174.900 -0.073 0.000 1.266 819 G CA -0.579 44.581 45.100 0.100 0.000 0.825 819 G HN 0.023 nan 8.290 nan 0.000 0.483 820 D N 0.857 121.071 120.400 -0.310 0.000 2.383 820 D HA 0.120 4.963 4.640 0.338 0.000 0.275 820 D C 1.107 177.210 176.300 -0.328 0.000 1.344 820 D CA 0.397 53.948 54.000 -0.749 0.000 0.984 820 D CB -0.138 40.306 40.800 -0.593 0.000 1.104 820 D HN 0.504 nan 8.370 nan 0.000 0.524 821 R N 1.664 122.020 120.500 -0.239 0.000 3.627 821 R HA -0.170 4.373 4.340 0.338 0.000 0.281 821 R C -0.371 175.842 176.300 -0.145 0.000 1.140 821 R CA 0.916 56.935 56.100 -0.134 0.000 0.761 821 R CB -2.156 28.077 30.300 -0.113 0.000 1.181 821 R HN 0.376 nan 8.270 nan 0.000 0.472 822 T N -1.124 113.344 114.554 -0.143 0.000 2.916 822 T HA 0.732 5.285 4.350 0.338 0.000 0.298 822 T C 0.306 174.912 174.700 -0.156 0.000 1.031 822 T CA -0.071 61.906 62.100 -0.205 0.000 0.993 822 T CB 2.369 71.166 68.868 -0.119 0.000 1.045 822 T HN 0.422 nan 8.240 nan 0.000 0.454 823 G N 1.219 109.881 108.800 -0.230 0.000 2.500 823 G HA2 0.624 4.787 3.960 0.338 0.000 0.299 823 G HA3 0.624 4.787 3.960 0.338 0.000 0.299 823 G C -2.331 172.500 174.900 -0.115 0.000 1.242 823 G CA -0.703 44.319 45.100 -0.131 0.000 0.859 823 G HN 0.704 nan 8.290 nan 0.000 0.481 824 L N 0.142 121.340 121.223 -0.041 0.000 2.401 824 L HA 0.698 5.241 4.340 0.338 0.000 0.266 824 L C -0.876 176.023 176.870 0.049 0.000 0.991 824 L CA -0.755 54.095 54.840 0.016 0.000 0.818 824 L CB 2.423 44.484 42.059 0.003 0.000 1.321 824 L HN 0.409 nan 8.230 nan 0.000 0.413 825 I N 1.302 121.914 120.570 0.070 0.000 2.569 825 I HA 0.323 4.696 4.170 0.338 0.000 0.296 825 I C -0.173 175.992 176.117 0.079 0.000 1.028 825 I CA -0.564 60.809 61.300 0.122 0.000 1.082 825 I CB 2.180 40.257 38.000 0.128 0.000 1.264 825 I HN 0.565 nan 8.210 nan 0.000 0.429 826 E N 4.139 124.426 120.200 0.146 0.000 2.313 826 E HA 0.279 4.832 4.350 0.338 0.000 0.276 826 E C -1.145 175.414 176.600 -0.069 0.000 1.031 826 E CA -0.533 55.903 56.400 0.059 0.000 0.857 826 E CB 1.587 31.370 29.700 0.139 0.000 1.040 826 E HN 0.308 nan 8.360 nan 0.000 0.408 827 V N 5.023 124.840 119.914 -0.162 0.000 2.455 827 V HA 0.054 4.377 4.120 0.338 0.000 0.273 827 V C -0.019 176.000 176.094 -0.125 0.000 1.045 827 V CA -0.308 61.832 62.300 -0.267 0.000 0.976 827 V CB 1.303 32.803 31.823 -0.539 0.000 0.993 827 V HN 0.427 nan 8.190 nan 0.000 0.475 828 V N 7.726 127.594 119.914 -0.076 0.000 2.364 828 V HA 0.347 4.670 4.120 0.338 0.000 0.272 828 V C 0.221 176.375 176.094 0.100 0.000 1.036 828 V CA -0.323 61.967 62.300 -0.016 0.000 0.880 828 V CB 1.187 32.935 31.823 -0.126 0.000 0.991 828 V HN 0.606 nan 8.190 nan 0.000 0.460 829 L N 4.697 125.965 121.223 0.074 0.000 2.421 829 L HA 0.493 5.036 4.340 0.338 0.000 0.263 829 L C 0.747 177.697 176.870 0.133 0.000 1.122 829 L CA -0.458 54.397 54.840 0.026 0.000 0.804 829 L CB 0.324 42.287 42.059 -0.159 0.000 1.150 829 L HN 0.822 nan 8.230 nan 0.000 0.457 830 H N -1.018 118.179 119.070 0.211 0.000 2.886 830 H HA -0.138 4.622 4.556 0.340 0.000 0.294 830 H C -0.383 175.119 175.328 0.290 0.000 1.246 830 H CA 0.507 56.685 56.048 0.216 0.000 1.142 830 H CB -1.272 28.590 29.762 0.167 0.000 1.358 830 H HN 0.622 nan 8.280 nan 0.000 0.406 831 S N -0.963 114.948 115.700 0.352 0.000 2.627 831 S HA 0.756 5.429 4.470 0.338 0.000 0.283 831 S C -1.110 173.592 174.600 0.171 0.000 1.127 831 S CA -0.930 57.461 58.200 0.319 0.000 0.863 831 S CB 3.992 67.421 63.200 0.382 0.000 1.121 831 S HN 0.201 nan 8.310 nan 0.000 0.479 832 D N 0.434 120.825 120.400 -0.014 0.000 2.654 832 D HA 0.475 5.318 4.640 0.338 0.000 0.231 832 D C -0.779 175.353 176.300 -0.279 0.000 1.239 832 D CA -0.100 53.813 54.000 -0.145 0.000 0.790 832 D CB 2.296 42.989 40.800 -0.179 0.000 1.480 832 D HN 0.837 nan 8.370 nan 0.000 0.442 833 T N 0.689 115.099 114.554 -0.240 0.000 2.919 833 T HA 0.150 4.703 4.350 0.338 0.000 0.302 833 T C 2.051 176.590 174.700 -0.267 0.000 1.031 833 T CA -0.658 61.289 62.100 -0.255 0.000 1.127 833 T CB 0.403 69.165 68.868 -0.176 0.000 0.952 833 T HN 0.283 nan 8.240 nan 0.000 0.540 834 I N 2.536 122.964 120.570 -0.238 0.000 2.147 834 I HA -0.293 4.080 4.170 0.338 0.000 0.245 834 I C 2.939 178.986 176.117 -0.117 0.000 1.059 834 I CA 2.027 63.237 61.300 -0.151 0.000 1.320 834 I CB -2.296 35.695 38.000 -0.016 0.000 1.021 834 I HN 0.924 nan 8.210 nan 0.000 0.415 835 A N 0.918 123.685 122.820 -0.088 0.000 1.927 835 A HA -0.262 4.261 4.320 0.338 0.000 0.220 835 A C 2.168 179.700 177.584 -0.088 0.000 1.185 835 A CA 2.274 54.272 52.037 -0.065 0.000 0.639 835 A CB -0.760 18.212 19.000 -0.047 0.000 0.820 835 A HN 0.506 nan 8.150 nan 0.000 0.451 836 N N -0.204 118.421 118.700 -0.124 0.000 2.171 836 N HA -0.050 4.893 4.740 0.338 0.000 0.184 836 N C 1.701 177.125 175.510 -0.144 0.000 1.021 836 N CA 1.515 54.490 53.050 -0.124 0.000 0.854 836 N CB -0.428 37.977 38.487 -0.136 0.000 0.994 836 N HN 0.569 nan 8.380 nan 0.000 0.426 837 I N 1.549 121.972 120.570 -0.246 0.000 2.208 837 I HA -0.254 4.119 4.170 0.338 0.000 0.245 837 I C 1.866 177.909 176.117 -0.123 0.000 1.097 837 I CA 1.208 62.328 61.300 -0.299 0.000 1.363 837 I CB -0.225 37.425 38.000 -0.582 0.000 1.051 837 I HN 0.104 nan 8.210 nan 0.000 0.413 838 Q N 0.340 120.084 119.800 -0.094 0.000 2.482 838 Q HA 0.011 4.554 4.340 0.338 0.000 0.209 838 Q C 2.116 178.103 176.000 -0.023 0.000 0.961 838 Q CA 0.348 56.130 55.803 -0.035 0.000 0.945 838 Q CB 0.100 28.828 28.738 -0.018 0.000 1.012 838 Q HN 0.584 nan 8.270 nan 0.000 0.515 839 L N 0.533 121.735 121.223 -0.034 0.000 2.353 839 L HA -0.140 4.403 4.340 0.338 0.000 0.220 839 L C 0.489 177.353 176.870 -0.009 0.000 1.133 839 L CA 0.362 55.188 54.840 -0.023 0.000 0.798 839 L CB -0.498 41.543 42.059 -0.030 0.000 0.922 839 L HN 0.416 nan 8.230 nan 0.000 0.445 840 N N 1.235 119.935 118.700 0.000 0.000 2.688 840 N HA -0.195 4.748 4.740 0.338 0.000 0.258 840 N C -0.080 175.434 175.510 0.007 0.000 1.016 840 N CA 0.661 53.718 53.050 0.011 0.000 0.747 840 N CB -0.497 37.996 38.487 0.009 0.000 0.895 840 N HN 0.409 nan 8.380 nan 0.000 0.543 841 K N -0.630 119.777 120.400 0.012 0.000 2.140 841 K HA 0.452 4.975 4.320 0.338 0.000 0.237 841 K C 0.655 177.259 176.600 0.006 0.000 1.045 841 K CA -0.284 56.007 56.287 0.006 0.000 0.896 841 K CB 0.389 32.895 32.500 0.009 0.000 1.122 841 K HN 0.364 nan 8.250 nan 0.000 0.503 842 S N -0.187 115.514 115.700 0.001 0.000 2.672 842 S HA 0.151 4.824 4.470 0.338 0.000 0.276 842 S C 0.208 174.811 174.600 0.004 0.000 1.207 842 S CA -0.759 57.440 58.200 -0.001 0.000 1.002 842 S CB 0.687 63.883 63.200 -0.007 0.000 0.998 842 S HN 0.837 nan 8.310 nan 0.000 0.542 843 N N -0.423 118.278 118.700 0.003 0.000 2.740 843 N HA -0.129 4.814 4.740 0.338 0.000 0.248 843 N C -1.165 174.351 175.510 0.012 0.000 1.062 843 N CA 0.813 53.866 53.050 0.004 0.000 0.704 843 N CB -1.084 37.403 38.487 0.001 0.000 0.968 843 N HN 0.587 nan 8.380 nan 0.000 0.547 844 M N -0.996 118.614 119.600 0.018 0.000 2.457 844 M HA 0.505 5.188 4.480 0.338 0.000 0.300 844 M C 1.476 177.793 176.300 0.027 0.000 1.141 844 M CA -0.291 55.028 55.300 0.031 0.000 0.901 844 M CB 1.029 33.660 32.600 0.052 0.000 1.687 844 M HN -0.020 nan 8.290 nan 0.000 0.449 845 A N 2.239 125.072 122.820 0.022 0.000 1.984 845 A HA -0.187 4.336 4.320 0.338 0.000 0.224 845 A C 1.578 179.178 177.584 0.026 0.000 1.256 845 A CA 3.022 55.064 52.037 0.009 0.000 0.679 845 A CB -0.672 18.318 19.000 -0.017 0.000 0.829 845 A HN 0.957 nan 8.150 nan 0.000 0.483 846 A N -1.465 121.392 122.820 0.061 0.000 2.423 846 A HA 0.417 4.940 4.320 0.338 0.000 0.246 846 A C 0.748 178.372 177.584 0.067 0.000 1.278 846 A CA 0.547 52.636 52.037 0.087 0.000 0.903 846 A CB -0.417 18.695 19.000 0.187 0.000 0.997 846 A HN 0.323 nan 8.150 nan 0.000 0.510 847 T N 1.933 116.510 114.554 0.038 0.000 2.775 847 T HA 0.519 5.072 4.350 0.338 0.000 0.287 847 T C 0.518 175.218 174.700 -0.000 0.000 0.909 847 T CA 0.443 62.553 62.100 0.017 0.000 1.081 847 T CB 0.732 69.602 68.868 0.002 0.000 0.891 847 T HN 0.460 nan 8.240 nan 0.000 0.544 848 A N 2.786 125.606 122.820 0.000 0.000 2.580 848 A HA 0.902 5.425 4.320 0.338 0.000 0.275 848 A C 1.623 179.139 177.584 -0.112 0.000 1.321 848 A CA -0.232 51.790 52.037 -0.025 0.000 0.924 848 A CB -0.016 19.003 19.000 0.031 0.000 1.512 848 A HN 0.748 nan 8.150 nan 0.000 0.492 849 A N -1.570 121.121 122.820 -0.216 0.000 2.072 849 A HA 0.505 5.028 4.320 0.338 0.000 0.216 849 A C -0.122 176.958 177.584 -0.841 0.000 1.156 849 A CA 0.790 52.466 52.037 -0.601 0.000 0.701 849 A CB -0.245 18.255 19.000 -0.832 0.000 0.816 849 A HN 0.547 nan 8.150 nan 0.000 0.458 850 F N -1.631 118.308 119.950 -0.019 0.000 2.557 850 F HA 0.344 5.074 4.527 0.338 0.000 0.316 850 F C 0.657 176.435 175.800 -0.035 0.000 1.141 850 F CA -1.173 56.807 58.000 -0.034 0.000 0.922 850 F CB 1.267 40.234 39.000 -0.054 0.000 1.194 850 F HN 0.054 nan 8.300 nan 0.000 0.443 851 N N 2.330 121.111 118.700 0.135 0.000 2.192 851 N HA -0.251 4.692 4.740 0.338 0.000 0.188 851 N C 1.899 177.439 175.510 0.051 0.000 1.013 851 N CA 1.961 55.057 53.050 0.076 0.000 0.863 851 N CB 0.063 38.593 38.487 0.071 0.000 0.990 851 N HN 0.700 nan 8.380 nan 0.000 0.430 852 K N -0.586 119.827 120.400 0.022 0.000 2.360 852 K HA -0.114 4.409 4.320 0.338 0.000 0.201 852 K C 0.514 177.008 176.600 -0.176 0.000 1.046 852 K CA 1.446 57.648 56.287 -0.141 0.000 0.945 852 K CB 0.137 32.450 32.500 -0.313 0.000 0.750 852 K HN 0.202 nan 8.250 nan 0.000 0.464 853 D N 1.155 121.548 120.400 -0.011 0.000 2.289 853 D HA 0.026 4.869 4.640 0.338 0.000 0.207 853 D C 1.888 178.237 176.300 0.082 0.000 0.966 853 D CA 0.934 54.978 54.000 0.073 0.000 0.868 853 D CB 0.198 41.078 40.800 0.133 0.000 0.943 853 D HN 0.403 nan 8.370 nan 0.000 0.514 854 A N 1.244 124.104 122.820 0.066 0.000 1.902 854 A HA -0.120 4.403 4.320 0.338 0.000 0.217 854 A C 2.197 179.852 177.584 0.119 0.000 1.181 854 A CA 0.763 52.850 52.037 0.082 0.000 0.623 854 A CB -0.717 18.316 19.000 0.056 0.000 0.818 854 A HN 0.283 nan 8.150 nan 0.000 0.443 855 L N -1.284 119.991 121.223 0.088 0.000 2.156 855 L HA -0.070 4.473 4.340 0.338 0.000 0.208 855 L C 2.328 179.281 176.870 0.138 0.000 1.095 855 L CA 1.258 56.155 54.840 0.095 0.000 0.770 855 L CB -0.117 41.972 42.059 0.049 0.000 0.914 855 L HN 0.422 nan 8.230 nan 0.000 0.439 856 L N 0.168 121.446 121.223 0.092 0.000 2.095 856 L HA -0.097 4.446 4.340 0.338 0.000 0.204 856 L C 1.988 178.914 176.870 0.093 0.000 1.080 856 L CA 1.538 56.414 54.840 0.059 0.000 0.759 856 L CB -0.689 41.395 42.059 0.041 0.000 0.914 856 L HN 0.216 nan 8.230 nan 0.000 0.439 857 N N -1.124 117.643 118.700 0.111 0.000 2.192 857 N HA -0.281 4.662 4.740 0.338 0.000 0.188 857 N C 1.378 176.965 175.510 0.128 0.000 1.013 857 N CA 1.722 54.831 53.050 0.099 0.000 0.863 857 N CB -0.517 38.029 38.487 0.098 0.000 0.990 857 N HN 0.568 nan 8.380 nan 0.000 0.430 858 W N 0.925 122.226 121.300 0.001 0.000 2.409 858 W HA 0.089 4.951 4.660 0.338 0.000 0.299 858 W C 1.659 178.182 176.519 0.007 0.000 1.203 858 W CA 0.762 58.111 57.345 0.007 0.000 1.298 858 W CB -0.247 29.220 29.460 0.012 0.000 1.127 858 W HN -0.003 nan 8.180 nan 0.000 0.528 859 L N 0.572 121.924 121.223 0.215 0.000 2.083 859 L HA -0.225 4.318 4.340 0.338 0.000 0.209 859 L C 2.453 179.276 176.870 -0.079 0.000 1.083 859 L CA 1.511 56.383 54.840 0.052 0.000 0.752 859 L CB -0.780 41.336 42.059 0.096 0.000 0.899 859 L HN -0.078 nan 8.230 nan 0.000 0.433 860 K N 0.027 120.400 120.400 -0.044 0.000 2.032 860 K HA -0.175 4.348 4.320 0.338 0.000 0.209 860 K C 2.250 178.786 176.600 -0.107 0.000 1.048 860 K CA 1.896 58.148 56.287 -0.057 0.000 0.927 860 K CB -0.280 32.208 32.500 -0.020 0.000 0.712 860 K HN 0.368 nan 8.250 nan 0.000 0.441 861 S N 0.769 116.377 115.700 -0.154 0.000 2.474 861 S HA -0.020 4.653 4.470 0.338 0.000 0.235 861 S C 1.510 175.956 174.600 -0.258 0.000 0.997 861 S CA 0.762 58.852 58.200 -0.184 0.000 0.949 861 S CB 0.031 63.117 63.200 -0.189 0.000 0.766 861 S HN 0.103 nan 8.310 nan 0.000 0.517 862 K N 1.622 121.804 120.400 -0.363 0.000 2.379 862 K HA 0.260 4.783 4.320 0.338 0.000 0.194 862 K C -0.042 176.441 176.600 -0.196 0.000 1.031 862 K CA 0.205 56.278 56.287 -0.356 0.000 1.037 862 K CB -0.078 32.077 32.500 -0.574 0.000 0.824 862 K HN 0.408 nan 8.250 nan 0.000 0.516 863 N N 1.663 120.278 118.700 -0.142 0.000 2.750 863 N HA 0.223 5.166 4.740 0.338 0.000 0.253 863 N C -2.849 172.627 175.510 -0.056 0.000 1.408 863 N CA -0.981 52.022 53.050 -0.079 0.000 0.780 863 N CB 2.085 40.540 38.487 -0.053 0.000 1.191 863 N HN -0.057 nan 8.380 nan 0.000 0.511 864 P HA 0.213 nan 4.420 nan 0.000 0.274 864 P C 0.976 178.263 177.300 -0.022 0.000 1.246 864 P CA 0.436 63.514 63.100 -0.037 0.000 0.795 864 P CB 0.642 32.320 31.700 -0.036 0.000 1.006 865 G N 0.957 109.748 108.800 -0.015 0.000 2.581 865 G HA2 -0.365 3.798 3.960 0.338 0.000 0.289 865 G HA3 -0.365 3.798 3.960 0.338 0.000 0.289 865 G C 0.935 175.833 174.900 -0.003 0.000 1.303 865 G CA 0.709 45.805 45.100 -0.008 0.000 0.931 865 G HN 0.515 nan 8.290 nan 0.000 0.555 866 E N -0.508 119.693 120.200 0.002 0.000 2.277 866 E HA -0.278 4.275 4.350 0.338 0.000 0.216 866 E C 2.874 179.480 176.600 0.011 0.000 1.068 866 E CA 2.554 58.959 56.400 0.008 0.000 0.866 866 E CB -0.430 29.276 29.700 0.011 0.000 0.749 866 E HN 1.036 nan 8.360 nan 0.000 0.465 867 A N 0.330 123.154 122.820 0.007 0.000 2.225 867 A HA -0.126 4.397 4.320 0.338 0.000 0.215 867 A C 1.973 179.566 177.584 0.014 0.000 1.164 867 A CA 0.861 52.905 52.037 0.011 0.000 0.710 867 A CB -0.406 18.595 19.000 0.003 0.000 0.780 867 A HN 0.270 nan 8.150 nan 0.000 0.473 868 L N -0.039 121.188 121.223 0.008 0.000 2.056 868 L HA -0.139 4.404 4.340 0.338 0.000 0.207 868 L C 1.520 178.406 176.870 0.026 0.000 1.078 868 L CA 2.429 57.275 54.840 0.009 0.000 0.749 868 L CB -0.600 41.459 42.059 -0.000 0.000 0.901 868 L HN 0.322 nan 8.230 nan 0.000 0.433 869 D N -0.382 120.036 120.400 0.031 0.000 2.149 869 D HA -0.239 4.604 4.640 0.338 0.000 0.198 869 D C 2.246 178.585 176.300 0.066 0.000 0.990 869 D CA 1.332 55.359 54.000 0.046 0.000 0.839 869 D CB -0.139 40.688 40.800 0.044 0.000 0.948 869 D HN 0.265 nan 8.370 nan 0.000 0.460 870 R N 1.169 121.706 120.500 0.062 0.000 2.081 870 R HA -0.033 4.510 4.340 0.338 0.000 0.235 870 R C 2.013 178.368 176.300 0.093 0.000 1.131 870 R CA 1.706 57.852 56.100 0.077 0.000 0.960 870 R CB -0.670 29.672 30.300 0.070 0.000 0.856 870 R HN 0.091 nan 8.270 nan 0.000 0.436 871 A N 0.375 123.246 122.820 0.086 0.000 1.930 871 A HA -0.058 4.465 4.320 0.338 0.000 0.217 871 A C 2.253 179.933 177.584 0.161 0.000 1.175 871 A CA 1.504 53.612 52.037 0.117 0.000 0.627 871 A CB -0.548 18.508 19.000 0.092 0.000 0.815 871 A HN 0.381 nan 8.150 nan 0.000 0.443 872 I N -0.662 119.978 120.570 0.117 0.000 2.361 872 I HA -0.211 4.162 4.170 0.338 0.000 0.251 872 I C 2.501 178.741 176.117 0.206 0.000 1.133 872 I CA 1.675 63.052 61.300 0.129 0.000 1.413 872 I CB -0.230 37.803 38.000 0.054 0.000 1.073 872 I HN 0.385 nan 8.210 nan 0.000 0.424 873 E N 1.344 121.643 120.200 0.166 0.000 2.072 873 E HA -0.194 4.359 4.350 0.338 0.000 0.190 873 E C 2.042 178.737 176.600 0.159 0.000 0.982 873 E CA 1.310 57.811 56.400 0.169 0.000 0.803 873 E CB -0.003 29.774 29.700 0.129 0.000 0.755 873 E HN 0.340 nan 8.360 nan 0.000 0.453 874 E N -0.294 119.996 120.200 0.150 0.000 2.110 874 E HA -0.179 4.374 4.350 0.338 0.000 0.193 874 E C 2.039 178.738 176.600 0.165 0.000 0.988 874 E CA 0.823 57.295 56.400 0.120 0.000 0.804 874 E CB -0.435 29.333 29.700 0.113 0.000 0.745 874 E HN 0.349 nan 8.360 nan 0.000 0.458 875 F N 2.354 122.354 119.950 0.083 0.000 2.095 875 F HA -0.229 4.501 4.527 0.338 0.000 0.298 875 F C 2.409 178.266 175.800 0.095 0.000 1.104 875 F CA 1.921 59.966 58.000 0.075 0.000 1.232 875 F CB -0.292 38.743 39.000 0.057 0.000 0.987 875 F HN -0.091 nan 8.300 nan 0.000 0.475 876 T N 1.644 116.417 114.554 0.364 0.000 2.674 876 T HA -0.192 4.361 4.350 0.338 0.000 0.265 876 T C 2.113 176.997 174.700 0.307 0.000 1.039 876 T CA 1.849 64.171 62.100 0.370 0.000 1.150 876 T CB -0.645 68.488 68.868 0.442 0.000 0.864 876 T HN 0.226 nan 8.240 nan 0.000 0.427 877 L N 1.496 122.784 121.223 0.109 0.000 1.989 877 L HA -0.150 4.393 4.340 0.338 0.000 0.211 877 L C 2.999 179.851 176.870 -0.031 0.000 1.071 877 L CA 1.714 56.489 54.840 -0.109 0.000 0.749 877 L CB -0.885 41.041 42.059 -0.222 0.000 0.890 877 L HN 0.389 nan 8.230 nan 0.000 0.431 878 S N -1.368 114.342 115.700 0.016 0.000 2.383 878 S HA -0.237 4.436 4.470 0.338 0.000 0.227 878 S C 2.188 176.892 174.600 0.174 0.000 1.026 878 S CA 1.001 59.266 58.200 0.108 0.000 0.981 878 S CB -1.238 62.068 63.200 0.176 0.000 0.818 878 S HN 0.513 nan 8.310 nan 0.000 0.472 879 C N 2.291 121.597 119.300 0.010 0.000 2.413 879 C HA 0.030 4.693 4.460 0.338 0.000 0.276 879 C C 3.143 178.350 174.990 0.361 0.000 1.248 879 C CA 0.978 60.028 59.018 0.052 0.000 1.742 879 C CB -1.769 25.866 27.740 -0.175 0.000 2.017 879 C HN 0.691 nan 8.230 nan 0.000 0.481 880 A N 0.219 123.292 122.820 0.422 0.000 1.902 880 A HA 0.083 4.606 4.320 0.338 0.000 0.217 880 A C 2.466 180.096 177.584 0.077 0.000 1.181 880 A CA 2.175 54.372 52.037 0.267 0.000 0.623 880 A CB -1.479 17.576 19.000 0.091 0.000 0.818 880 A HN 0.674 nan 8.150 nan 0.000 0.443 881 G N -1.540 107.208 108.800 -0.087 0.000 2.459 881 G HA2 -0.232 3.931 3.960 0.338 0.000 0.217 881 G HA3 -0.232 3.931 3.960 0.338 0.000 0.217 881 G C 1.454 176.346 174.900 -0.013 0.000 1.183 881 G CA 1.247 46.224 45.100 -0.205 0.000 0.776 881 G HN 0.542 nan 8.290 nan 0.000 0.552 882 Y N 0.016 120.435 120.300 0.199 0.000 2.352 882 Y HA -0.047 4.706 4.550 0.339 0.000 0.292 882 Y C 3.052 179.033 175.900 0.135 0.000 1.136 882 Y CA 0.492 58.690 58.100 0.164 0.000 1.227 882 Y CB -0.462 38.120 38.460 0.204 0.000 0.991 882 Y HN 0.220 nan 8.280 nan 0.000 0.545 883 C N -1.364 118.100 119.300 0.274 0.000 2.440 883 C HA -0.089 4.574 4.460 0.338 0.000 0.278 883 C C 2.727 177.819 174.990 0.170 0.000 1.295 883 C CA 0.721 59.796 59.018 0.094 0.000 1.738 883 C CB -0.975 26.817 27.740 0.087 0.000 1.987 883 C HN 0.344 nan 8.230 nan 0.000 0.492 884 V N 1.186 121.339 119.914 0.398 0.000 2.255 884 V HA -0.132 4.191 4.120 0.338 0.000 0.243 884 V C 2.731 179.102 176.094 0.461 0.000 1.038 884 V CA 2.141 64.787 62.300 0.576 0.000 1.008 884 V CB -1.340 30.799 31.823 0.526 0.000 0.645 884 V HN 0.538 nan 8.190 nan 0.000 0.449 885 A N 0.940 123.968 122.820 0.347 0.000 1.917 885 A HA -0.288 4.235 4.320 0.338 0.000 0.219 885 A C 2.462 180.142 177.584 0.159 0.000 1.182 885 A CA 2.977 55.133 52.037 0.197 0.000 0.633 885 A CB -1.108 17.959 19.000 0.112 0.000 0.819 885 A HN 0.670 nan 8.150 nan 0.000 0.448 886 T N -3.717 110.942 114.554 0.174 0.000 2.857 886 T HA -0.179 4.374 4.350 0.338 0.000 0.266 886 T C 1.856 176.677 174.700 0.201 0.000 1.048 886 T CA 1.450 63.640 62.100 0.150 0.000 1.139 886 T CB -0.556 68.379 68.868 0.112 0.000 0.874 886 T HN 0.498 nan 8.240 nan 0.000 0.455 887 Y N 2.352 122.751 120.300 0.166 0.000 2.133 887 Y HA -0.029 4.724 4.550 0.338 0.000 0.287 887 Y C 2.350 178.416 175.900 0.277 0.000 1.134 887 Y CA 0.952 59.205 58.100 0.255 0.000 1.133 887 Y CB -0.658 38.063 38.460 0.436 0.000 0.987 887 Y HN 0.043 nan 8.280 nan 0.000 0.502 888 V N 0.899 120.881 119.914 0.112 0.000 2.295 888 V HA -0.318 4.005 4.120 0.338 0.000 0.246 888 V C 2.326 178.363 176.094 -0.094 0.000 1.049 888 V CA 2.151 64.425 62.300 -0.044 0.000 1.024 888 V CB -0.764 31.082 31.823 0.040 0.000 0.648 888 V HN 0.457 nan 8.190 nan 0.000 0.447 889 L N 0.298 121.497 121.223 -0.040 0.000 2.552 889 L HA 0.235 4.778 4.340 0.338 0.000 0.227 889 L C 1.715 178.560 176.870 -0.042 0.000 1.146 889 L CA 0.803 55.604 54.840 -0.065 0.000 0.858 889 L CB -0.714 41.354 42.059 0.015 0.000 0.969 889 L HN 0.573 nan 8.230 nan 0.000 0.451 890 G N 1.119 109.950 108.800 0.052 0.000 2.176 890 G HA2 -0.284 3.879 3.960 0.338 0.000 0.252 890 G HA3 -0.284 3.879 3.960 0.338 0.000 0.252 890 G C 0.255 175.200 174.900 0.074 0.000 1.024 890 G CA -0.136 44.977 45.100 0.022 0.000 0.755 890 G HN 0.326 nan 8.290 nan 0.000 0.507 891 I N 0.789 121.453 120.570 0.156 0.000 2.496 891 I HA 0.513 4.886 4.170 0.338 0.000 0.285 891 I C 1.160 177.406 176.117 0.215 0.000 1.080 891 I CA 0.570 62.007 61.300 0.229 0.000 1.404 891 I CB 1.032 39.190 38.000 0.264 0.000 1.403 891 I HN 0.219 nan 8.210 nan 0.000 0.539 892 G N 2.657 111.590 108.800 0.222 0.000 2.733 892 G HA2 0.448 4.611 3.960 0.338 0.000 0.288 892 G HA3 0.448 4.611 3.960 0.338 0.000 0.288 892 G C -0.481 174.515 174.900 0.160 0.000 1.373 892 G CA -0.288 44.915 45.100 0.172 0.000 0.895 892 G HN 0.643 nan 8.290 nan 0.000 0.479 893 D N -1.326 119.145 120.400 0.119 0.000 3.051 893 D HA -0.140 4.703 4.640 0.338 0.000 0.218 893 D C 0.525 176.824 176.300 -0.002 0.000 1.129 893 D CA 0.449 54.524 54.000 0.126 0.000 0.868 893 D CB -0.567 40.313 40.800 0.134 0.000 1.100 893 D HN 0.403 nan 8.370 nan 0.000 0.429 894 R N 0.624 121.135 120.500 0.018 0.000 2.590 894 R HA 0.511 5.054 4.340 0.338 0.000 0.274 894 R C 0.712 176.958 176.300 -0.091 0.000 1.061 894 R CA 0.412 56.464 56.100 -0.080 0.000 1.081 894 R CB 0.324 30.702 30.300 0.131 0.000 0.984 894 R HN 0.680 nan 8.270 nan 0.000 0.448 895 H N -3.503 115.583 119.070 0.027 0.000 2.904 895 H HA 0.102 4.860 4.556 0.338 0.000 0.290 895 H C 0.182 175.495 175.328 -0.025 0.000 1.437 895 H CA -0.319 55.727 56.048 -0.003 0.000 1.147 895 H CB 0.099 29.855 29.762 -0.010 0.000 1.824 895 H HN 0.373 nan 8.280 nan 0.000 0.505 896 S N -1.219 114.594 115.700 0.187 0.000 2.561 896 S HA -0.092 4.581 4.470 0.338 0.000 0.225 896 S C 0.481 175.103 174.600 0.037 0.000 0.977 896 S CA 1.103 59.348 58.200 0.074 0.000 0.926 896 S CB -0.271 62.960 63.200 0.052 0.000 0.769 896 S HN 0.571 nan 8.310 nan 0.000 0.533 897 D N 2.772 123.266 120.400 0.158 0.000 2.249 897 D HA -0.032 4.811 4.640 0.338 0.000 0.205 897 D C 1.279 177.562 176.300 -0.029 0.000 0.962 897 D CA 0.956 55.001 54.000 0.075 0.000 0.860 897 D CB -0.272 40.609 40.800 0.134 0.000 0.955 897 D HN 0.885 nan 8.370 nan 0.000 0.505 898 N N 0.054 118.685 118.700 -0.114 0.000 2.273 898 N HA 0.139 5.082 4.740 0.338 0.000 0.231 898 N C -0.038 175.238 175.510 -0.390 0.000 1.134 898 N CA -0.100 52.796 53.050 -0.257 0.000 0.856 898 N CB 0.890 39.194 38.487 -0.305 0.000 1.068 898 N HN 0.040 nan 8.380 nan 0.000 0.510 899 I N 1.023 121.355 120.570 -0.397 0.000 2.569 899 I HA 0.439 4.812 4.170 0.338 0.000 0.296 899 I C -0.413 175.383 176.117 -0.534 0.000 1.028 899 I CA -0.798 60.155 61.300 -0.579 0.000 1.082 899 I CB 2.145 39.867 38.000 -0.464 0.000 1.264 899 I HN -0.060 nan 8.210 nan 0.000 0.429 900 M N 5.702 124.835 119.600 -0.778 0.000 2.619 900 M HA 0.631 5.314 4.480 0.338 0.000 0.297 900 M C -1.221 174.676 176.300 -0.671 0.000 1.229 900 M CA -0.693 54.135 55.300 -0.787 0.000 0.860 900 M CB 3.095 35.004 32.600 -1.152 0.000 1.741 900 M HN 0.343 nan 8.290 nan 0.000 0.462 901 I N 0.819 121.165 120.570 -0.374 0.000 2.582 901 I HA 0.471 4.844 4.170 0.338 0.000 0.292 901 I C -0.383 175.837 176.117 0.171 0.000 1.066 901 I CA -0.838 60.417 61.300 -0.075 0.000 1.053 901 I CB 2.291 40.263 38.000 -0.047 0.000 1.241 901 I HN 0.582 nan 8.210 nan 0.000 0.421 902 R N 3.323 124.050 120.500 0.378 0.000 2.543 902 R HA 0.266 4.809 4.340 0.338 0.000 0.268 902 R C 0.519 177.112 176.300 0.488 0.000 1.067 902 R CA -0.527 55.840 56.100 0.445 0.000 1.142 902 R CB 1.065 31.591 30.300 0.376 0.000 1.110 902 R HN 0.641 nan 8.270 nan 0.000 0.549 903 E N 0.195 120.625 120.200 0.384 0.000 2.338 903 E HA -0.131 4.422 4.350 0.338 0.000 0.197 903 E C 1.507 178.166 176.600 0.098 0.000 1.007 903 E CA 1.249 57.748 56.400 0.165 0.000 0.849 903 E CB 0.161 29.869 29.700 0.013 0.000 0.774 903 E HN 0.560 nan 8.360 nan 0.000 0.506 904 S N -1.047 114.744 115.700 0.153 0.000 2.522 904 S HA 0.082 4.755 4.470 0.338 0.000 0.227 904 S C 1.675 176.376 174.600 0.170 0.000 0.986 904 S CA 0.616 58.891 58.200 0.125 0.000 0.929 904 S CB 0.413 63.682 63.200 0.116 0.000 0.769 904 S HN 0.371 nan 8.310 nan 0.000 0.529 905 G N 0.176 109.132 108.800 0.259 0.000 2.278 905 G HA2 -0.218 3.945 3.960 0.338 0.000 0.210 905 G HA3 -0.218 3.945 3.960 0.338 0.000 0.210 905 G C -0.105 174.998 174.900 0.339 0.000 1.000 905 G CA -0.170 45.128 45.100 0.330 0.000 0.635 905 G HN 0.563 nan 8.290 nan 0.000 0.495 906 Q N 0.681 120.631 119.800 0.250 0.000 2.263 906 Q HA 0.473 5.016 4.340 0.338 0.000 0.289 906 Q C 0.364 176.494 176.000 0.217 0.000 1.061 906 Q CA 0.312 56.243 55.803 0.213 0.000 0.927 906 Q CB 1.152 30.021 28.738 0.219 0.000 1.154 906 Q HN 0.614 nan 8.270 nan 0.000 0.378 907 L N 4.410 125.662 121.223 0.048 0.000 2.334 907 L HA 0.745 5.288 4.340 0.338 0.000 0.275 907 L C -1.064 175.801 176.870 -0.008 0.000 1.036 907 L CA -0.671 54.083 54.840 -0.143 0.000 0.807 907 L CB 0.617 42.328 42.059 -0.581 0.000 1.231 907 L HN 0.715 nan 8.230 nan 0.000 0.438 908 F N 0.334 120.044 119.950 -0.401 0.000 2.779 908 F HA 0.537 5.266 4.527 0.337 0.000 0.316 908 F C -1.406 174.084 175.800 -0.516 0.000 1.164 908 F CA -1.072 56.484 58.000 -0.739 0.000 0.924 908 F CB 1.189 40.042 39.000 -0.244 0.000 1.348 908 F HN 0.377 nan 8.300 nan 0.000 0.467 909 H N 1.423 120.262 119.070 -0.385 0.000 2.524 909 H HA 0.747 5.506 4.556 0.338 0.000 0.353 909 H C -0.866 174.400 175.328 -0.104 0.000 1.136 909 H CA -0.657 55.254 56.048 -0.228 0.000 1.193 909 H CB 2.747 32.518 29.762 0.014 0.000 1.558 909 H HN 0.772 nan 8.280 nan 0.000 0.515 910 I N -1.010 119.401 120.570 -0.266 0.000 2.785 910 I HA 0.389 4.762 4.170 0.338 0.000 0.302 910 I C -0.614 175.203 176.117 -0.501 0.000 1.069 910 I CA -0.855 60.287 61.300 -0.264 0.000 1.045 910 I CB 2.238 40.145 38.000 -0.155 0.000 1.236 910 I HN 0.482 nan 8.210 nan 0.000 0.429 911 D N 3.366 123.520 120.400 -0.410 0.000 3.092 911 D HA -0.156 4.687 4.640 0.338 0.000 0.253 911 D C -1.466 174.719 176.300 -0.193 0.000 1.063 911 D CA 0.697 54.578 54.000 -0.199 0.000 0.886 911 D CB -0.739 39.996 40.800 -0.108 0.000 1.021 911 D HN 0.509 nan 8.370 nan 0.000 0.425 912 F N -0.052 119.949 119.950 0.086 0.000 2.329 912 F HA 0.479 5.210 4.527 0.339 0.000 0.362 912 F C 1.789 177.559 175.800 -0.050 0.000 1.113 912 F CA -0.202 57.831 58.000 0.054 0.000 1.212 912 F CB 1.283 40.313 39.000 0.050 0.000 1.509 912 F HN 0.172 nan 8.300 nan 0.000 0.546 913 G N 0.379 109.232 108.800 0.088 0.000 3.042 913 G HA2 0.028 4.191 3.960 0.338 0.000 0.212 913 G HA3 0.028 4.191 3.960 0.338 0.000 0.212 913 G C -0.205 174.369 174.900 -0.544 0.000 1.166 913 G CA 0.151 45.130 45.100 -0.201 0.000 0.767 913 G HN 0.540 nan 8.290 nan 0.000 0.546 914 H N -0.560 118.546 119.070 0.061 0.000 3.018 914 H HA 0.488 5.247 4.556 0.338 0.000 0.334 914 H C -0.706 174.726 175.328 0.174 0.000 0.983 914 H CA -0.942 55.157 56.048 0.086 0.000 1.363 914 H CB 1.290 31.128 29.762 0.127 0.000 1.668 914 H HN 0.205 nan 8.280 nan 0.000 0.513 915 F N 0.101 120.110 119.950 0.098 0.000 2.764 915 F HA 0.485 5.215 4.527 0.340 0.000 0.347 915 F C -0.146 175.576 175.800 -0.130 0.000 1.151 915 F CA -1.733 56.271 58.000 0.006 0.000 1.021 915 F CB 1.381 40.387 39.000 0.009 0.000 1.438 915 F HN 0.393 nan 8.300 nan 0.000 0.516 916 L N 1.006 122.063 121.223 -0.277 0.000 3.976 916 L HA -0.249 4.294 4.340 0.338 0.000 0.418 916 L C 0.936 177.264 176.870 -0.903 0.000 1.177 916 L CA 0.953 55.294 54.840 -0.832 0.000 0.968 916 L CB -2.228 39.493 42.059 -0.564 0.000 1.933 916 L HN 1.354 nan 8.230 nan 0.000 0.976 917 G N -0.339 108.152 108.800 -0.514 0.000 2.176 917 G HA2 -0.327 3.836 3.960 0.338 0.000 0.252 917 G HA3 -0.327 3.836 3.960 0.338 0.000 0.252 917 G C 0.055 175.051 174.900 0.159 0.000 1.024 917 G CA 0.478 45.496 45.100 -0.137 0.000 0.755 917 G HN 0.682 nan 8.290 nan 0.000 0.507 918 N N 0.901 119.677 118.700 0.127 0.000 2.918 918 N HA 0.497 5.440 4.740 0.338 0.000 0.247 918 N C 0.820 176.425 175.510 0.159 0.000 1.117 918 N CA -0.794 52.303 53.050 0.079 0.000 1.005 918 N CB 0.138 38.669 38.487 0.074 0.000 1.297 918 N HN 0.454 nan 8.380 nan 0.000 0.513 930 V N 5.871 125.967 119.914 0.304 0.000 2.479 930 V HA 0.527 4.850 4.120 0.338 0.000 0.281 930 V C -1.712 174.538 176.094 0.259 0.000 1.031 930 V CA -1.104 61.331 62.300 0.226 0.000 1.038 930 V CB 0.536 32.483 31.823 0.207 0.000 0.981 930 V HN 0.637 nan 8.190 nan 0.000 0.478 931 P HA 0.096 nan 4.420 nan 0.000 0.269 931 P C -0.438 177.051 177.300 0.315 0.000 1.215 931 P CA -0.285 62.951 63.100 0.227 0.000 0.780 931 P CB 0.474 32.240 31.700 0.111 0.000 0.898 932 F N 2.654 122.699 119.950 0.160 0.000 2.572 932 F HA 0.130 4.860 4.527 0.339 0.000 0.370 932 F C 0.202 176.004 175.800 0.004 0.000 1.103 932 F CA 0.194 58.219 58.000 0.043 0.000 1.286 932 F CB 0.218 38.975 39.000 -0.405 0.000 1.105 932 F HN 0.092 nan 8.300 nan 0.000 0.583 933 I N 7.906 128.249 120.570 -0.377 0.000 2.389 933 I HA 0.281 4.654 4.170 0.338 0.000 0.288 933 I C -0.770 175.233 176.117 -0.191 0.000 0.999 933 I CA -0.628 60.568 61.300 -0.173 0.000 1.129 933 I CB 1.380 39.339 38.000 -0.068 0.000 1.288 933 I HN 0.529 nan 8.210 nan 0.000 0.444 934 L N 5.955 127.157 121.223 -0.035 0.000 2.316 934 L HA 0.380 4.923 4.340 0.338 0.000 0.280 934 L C 0.144 177.003 176.870 -0.018 0.000 1.006 934 L CA -0.321 54.546 54.840 0.045 0.000 0.836 934 L CB 1.760 43.877 42.059 0.096 0.000 1.221 934 L HN 0.524 nan 8.230 nan 0.000 0.418 935 T N 1.475 115.931 114.554 -0.163 0.000 2.817 935 T HA 0.045 4.598 4.350 0.338 0.000 0.293 935 T C 0.770 175.357 174.700 -0.188 0.000 0.964 935 T CA -0.167 61.722 62.100 -0.352 0.000 1.085 935 T CB 1.044 69.299 68.868 -1.021 0.000 0.921 935 T HN 0.429 nan 8.240 nan 0.000 0.502 936 Y N 3.382 123.616 120.300 -0.111 0.000 2.139 936 Y HA -0.274 4.479 4.550 0.338 0.000 0.282 936 Y C 1.805 177.740 175.900 0.059 0.000 1.179 936 Y CA 1.922 60.048 58.100 0.042 0.000 1.161 936 Y CB -0.145 38.439 38.460 0.207 0.000 0.970 936 Y HN 0.654 nan 8.280 nan 0.000 0.511 937 D N -0.905 119.376 120.400 -0.199 0.000 2.323 937 D HA -0.095 4.748 4.640 0.338 0.000 0.209 937 D C 1.908 178.301 176.300 0.154 0.000 0.973 937 D CA 0.663 54.571 54.000 -0.153 0.000 0.874 937 D CB -0.251 40.541 40.800 -0.013 0.000 0.930 937 D HN 0.336 nan 8.370 nan 0.000 0.521 938 F N 1.071 121.080 119.950 0.099 0.000 2.128 938 F HA -0.082 4.648 4.527 0.338 0.000 0.295 938 F C 2.588 178.459 175.800 0.118 0.000 1.100 938 F CA -0.071 58.089 58.000 0.267 0.000 1.260 938 F CB -1.414 37.781 39.000 0.324 0.000 1.009 938 F HN -0.183 nan 8.300 nan 0.000 0.476 939 V N 0.130 120.175 119.914 0.218 0.000 2.380 939 V HA -0.348 3.975 4.120 0.338 0.000 0.251 939 V C 2.413 178.524 176.094 0.028 0.000 1.063 939 V CA 2.456 64.831 62.300 0.125 0.000 1.055 939 V CB -1.016 30.897 31.823 0.150 0.000 0.657 939 V HN 0.384 nan 8.190 nan 0.000 0.455 940 H N -0.280 118.662 119.070 -0.214 0.000 2.353 940 H HA -0.115 4.644 4.556 0.338 0.000 0.300 940 H C 2.050 177.286 175.328 -0.154 0.000 1.090 940 H CA 1.996 57.888 56.048 -0.261 0.000 1.327 940 H CB -0.087 29.409 29.762 -0.443 0.000 1.383 940 H HN 0.203 nan 8.280 nan 0.000 0.508 941 V N 0.469 120.312 119.914 -0.119 0.000 2.407 941 V HA -0.230 4.093 4.120 0.338 0.000 0.248 941 V C 2.484 178.467 176.094 -0.185 0.000 1.055 941 V CA 1.857 63.984 62.300 -0.289 0.000 1.049 941 V CB -0.497 30.868 31.823 -0.764 0.000 0.662 941 V HN 0.442 nan 8.190 nan 0.000 0.455 942 I N -0.307 120.244 120.570 -0.031 0.000 2.226 942 I HA -0.265 4.108 4.170 0.338 0.000 0.245 942 I C 2.094 178.228 176.117 0.028 0.000 1.100 942 I CA 1.492 62.824 61.300 0.052 0.000 1.374 942 I CB -0.319 37.687 38.000 0.009 0.000 1.057 942 I HN 0.334 nan 8.210 nan 0.000 0.413 943 Q N 1.228 121.016 119.800 -0.019 0.000 2.265 943 Q HA -0.010 4.533 4.340 0.338 0.000 0.217 943 Q C -0.240 175.688 176.000 -0.121 0.000 0.916 943 Q CA -0.036 55.747 55.803 -0.034 0.000 0.948 943 Q CB -0.068 28.645 28.738 -0.041 0.000 1.020 943 Q HN 0.452 nan 8.270 nan 0.000 0.462 944 Q N -0.912 118.819 119.800 -0.115 0.000 2.358 944 Q HA -0.325 4.218 4.340 0.338 0.000 0.318 944 Q C 0.858 176.743 176.000 -0.192 0.000 1.243 944 Q CA 0.444 56.172 55.803 -0.125 0.000 0.949 944 Q CB -1.952 26.754 28.738 -0.054 0.000 1.224 944 Q HN 0.762 nan 8.270 nan 0.000 0.473 945 G N -1.073 107.487 108.800 -0.400 0.000 2.253 945 G HA2 -0.349 3.814 3.960 0.338 0.000 0.251 945 G HA3 -0.349 3.814 3.960 0.338 0.000 0.251 945 G C 0.115 174.772 174.900 -0.406 0.000 0.998 945 G CA 0.374 45.177 45.100 -0.495 0.000 0.621 945 G HN 0.346 nan 8.290 nan 0.000 0.524 946 K N 0.746 120.988 120.400 -0.264 0.000 2.185 946 K HA 0.528 5.051 4.320 0.338 0.000 0.271 946 K C 1.509 178.043 176.600 -0.109 0.000 1.013 946 K CA 0.171 56.382 56.287 -0.128 0.000 0.943 946 K CB 0.896 33.353 32.500 -0.071 0.000 0.998 946 K HN 0.077 nan 8.250 nan 0.000 0.468 947 T N 1.255 115.786 114.554 -0.038 0.000 2.708 947 T HA -0.093 4.460 4.350 0.338 0.000 0.266 947 T C 0.424 175.115 174.700 -0.014 0.000 1.037 947 T CA 1.226 63.322 62.100 -0.006 0.000 1.146 947 T CB -0.072 68.785 68.868 -0.018 0.000 0.865 947 T HN 0.513 nan 8.240 nan 0.000 0.435 948 N N 1.925 120.613 118.700 -0.020 0.000 2.296 948 N HA 0.410 5.353 4.740 0.338 0.000 0.294 948 N C -1.243 174.267 175.510 0.000 0.000 1.033 948 N CA -0.424 52.617 53.050 -0.015 0.000 0.839 948 N CB 1.594 40.073 38.487 -0.013 0.000 1.395 948 N HN 0.072 nan 8.380 nan 0.000 0.479 949 N N 0.353 119.068 118.700 0.025 0.000 3.029 949 N HA -0.009 4.934 4.740 0.338 0.000 0.198 949 N C -0.092 175.494 175.510 0.128 0.000 1.444 949 N CA -0.146 52.938 53.050 0.057 0.000 0.784 949 N CB 0.043 38.554 38.487 0.039 0.000 1.539 949 N HN 0.379 nan 8.380 nan 0.000 0.582 950 S N -0.392 115.380 115.700 0.121 0.000 2.489 950 S HA -0.074 4.599 4.470 0.338 0.000 0.228 950 S C 1.461 176.161 174.600 0.166 0.000 0.995 950 S CA 0.688 59.006 58.200 0.196 0.000 0.934 950 S CB 0.125 63.415 63.200 0.151 0.000 0.771 950 S HN 0.598 nan 8.310 nan 0.000 0.522 951 E N 1.729 121.991 120.200 0.102 0.000 2.038 951 E HA -0.221 4.332 4.350 0.338 0.000 0.195 951 E C 1.713 178.361 176.600 0.080 0.000 1.000 951 E CA 1.162 57.604 56.400 0.070 0.000 0.803 951 E CB -0.010 29.721 29.700 0.050 0.000 0.750 951 E HN 0.249 nan 8.360 nan 0.000 0.448 952 K N -0.007 120.459 120.400 0.110 0.000 2.076 952 K HA -0.090 4.433 4.320 0.338 0.000 0.204 952 K C 1.999 178.707 176.600 0.180 0.000 1.051 952 K CA 0.743 57.103 56.287 0.122 0.000 0.949 952 K CB -0.626 31.943 32.500 0.115 0.000 0.726 952 K HN 0.207 nan 8.250 nan 0.000 0.443 953 F N 3.027 123.043 119.950 0.111 0.000 2.134 953 F HA -0.173 4.557 4.527 0.338 0.000 0.299 953 F C 1.966 177.906 175.800 0.234 0.000 1.097 953 F CA 1.558 59.675 58.000 0.195 0.000 1.264 953 F CB 0.136 39.239 39.000 0.171 0.000 1.001 953 F HN 0.004 nan 8.300 nan 0.000 0.479 954 E N 0.354 120.619 120.200 0.108 0.000 2.152 954 E HA -0.133 4.420 4.350 0.338 0.000 0.192 954 E C 2.336 178.807 176.600 -0.215 0.000 0.983 954 E CA 0.675 57.029 56.400 -0.076 0.000 0.818 954 E CB -0.381 29.332 29.700 0.022 0.000 0.758 954 E HN 0.513 nan 8.360 nan 0.000 0.467 955 R N 0.105 120.493 120.500 -0.187 0.000 2.091 955 R HA -0.137 4.406 4.340 0.338 0.000 0.238 955 R C 2.312 178.215 176.300 -0.662 0.000 1.136 955 R CA 1.153 57.010 56.100 -0.405 0.000 0.959 955 R CB -0.604 29.516 30.300 -0.299 0.000 0.856 955 R HN 0.174 nan 8.270 nan 0.000 0.437 956 F N 2.111 121.787 119.950 -0.457 0.000 2.095 956 F HA -0.197 4.533 4.527 0.338 0.000 0.298 956 F C 2.583 178.211 175.800 -0.288 0.000 1.104 956 F CA 1.500 59.330 58.000 -0.283 0.000 1.232 956 F CB -0.300 38.617 39.000 -0.139 0.000 0.987 956 F HN -0.182 nan 8.300 nan 0.000 0.475 957 R N 0.273 120.379 120.500 -0.656 0.000 2.105 957 R HA -0.142 4.401 4.340 0.338 0.000 0.239 957 R C 2.416 178.379 176.300 -0.563 0.000 1.135 957 R CA 1.486 57.103 56.100 -0.806 0.000 0.967 957 R CB -1.098 28.692 30.300 -0.850 0.000 0.861 957 R HN 0.514 nan 8.270 nan 0.000 0.442 958 G N 0.008 108.531 108.800 -0.462 0.000 2.433 958 G HA2 -0.278 3.885 3.960 0.338 0.000 0.216 958 G HA3 -0.278 3.885 3.960 0.338 0.000 0.216 958 G C 0.912 175.688 174.900 -0.206 0.000 1.186 958 G CA 0.802 45.710 45.100 -0.321 0.000 0.779 958 G HN 0.289 nan 8.290 nan 0.000 0.543 959 Y N 0.816 120.975 120.300 -0.234 0.000 2.062 959 Y HA -0.254 4.499 4.550 0.338 0.000 0.273 959 Y C 3.212 178.935 175.900 -0.295 0.000 1.206 959 Y CA 0.534 58.484 58.100 -0.250 0.000 1.125 959 Y CB -1.474 36.859 38.460 -0.212 0.000 0.951 959 Y HN 0.230 nan 8.280 nan 0.000 0.501 960 C N -0.404 118.789 119.300 -0.177 0.000 2.429 960 C HA -0.171 4.492 4.460 0.338 0.000 0.277 960 C C 2.610 177.557 174.990 -0.073 0.000 1.262 960 C CA 1.070 60.045 59.018 -0.071 0.000 1.733 960 C CB -0.972 26.774 27.740 0.010 0.000 2.010 960 C HN 0.577 nan 8.230 nan 0.000 0.483 961 E N 0.073 120.200 120.200 -0.122 0.000 2.076 961 E HA -0.127 4.426 4.350 0.338 0.000 0.190 961 E C 2.388 178.916 176.600 -0.120 0.000 0.979 961 E CA 0.581 56.885 56.400 -0.160 0.000 0.807 961 E CB -0.171 29.465 29.700 -0.107 0.000 0.761 961 E HN 0.505 nan 8.360 nan 0.000 0.454 962 R N 0.671 121.118 120.500 -0.088 0.000 2.097 962 R HA -0.210 4.333 4.340 0.338 0.000 0.236 962 R C 2.351 178.625 176.300 -0.044 0.000 1.135 962 R CA 1.714 57.781 56.100 -0.056 0.000 0.934 962 R CB -0.358 29.914 30.300 -0.047 0.000 0.846 962 R HN 0.129 nan 8.270 nan 0.000 0.431 963 A N -0.198 122.540 122.820 -0.137 0.000 1.883 963 A HA -0.251 4.272 4.320 0.338 0.000 0.217 963 A C 2.039 179.791 177.584 0.281 0.000 1.186 963 A CA 1.627 53.575 52.037 -0.148 0.000 0.624 963 A CB -0.949 17.712 19.000 -0.565 0.000 0.822 963 A HN 0.558 nan 8.150 nan 0.000 0.444 964 Y N 1.946 122.198 120.300 -0.080 0.000 2.097 964 Y HA -0.247 4.506 4.550 0.338 0.000 0.282 964 Y C 2.896 178.730 175.900 -0.111 0.000 1.152 964 Y CA 2.599 60.590 58.100 -0.180 0.000 1.136 964 Y CB -0.839 37.145 38.460 -0.793 0.000 0.975 964 Y HN 0.450 nan 8.280 nan 0.000 0.498 965 T N -1.439 113.006 114.554 -0.182 0.000 2.867 965 T HA -0.154 4.399 4.350 0.338 0.000 0.268 965 T C 2.029 176.657 174.700 -0.119 0.000 1.057 965 T CA 1.564 63.533 62.100 -0.217 0.000 1.136 965 T CB -0.845 67.970 68.868 -0.088 0.000 0.874 965 T HN 0.411 nan 8.240 nan 0.000 0.466 966 I N 1.207 121.796 120.570 0.031 0.000 2.226 966 I HA -0.114 4.259 4.170 0.338 0.000 0.245 966 I C 2.372 178.567 176.117 0.131 0.000 1.100 966 I CA 1.321 62.705 61.300 0.140 0.000 1.374 966 I CB -0.428 37.776 38.000 0.339 0.000 1.057 966 I HN 0.205 nan 8.210 nan 0.000 0.413 967 L N -0.112 121.159 121.223 0.080 0.000 2.201 967 L HA -0.115 4.428 4.340 0.338 0.000 0.212 967 L C 2.618 179.429 176.870 -0.097 0.000 1.105 967 L CA 0.950 55.795 54.840 0.007 0.000 0.775 967 L CB -0.624 41.336 42.059 -0.166 0.000 0.913 967 L HN 0.143 nan 8.230 nan 0.000 0.440 968 R N 0.154 120.498 120.500 -0.260 0.000 2.120 968 R HA -0.131 4.412 4.340 0.338 0.000 0.234 968 R C 2.401 178.608 176.300 -0.155 0.000 1.123 968 R CA 1.108 57.056 56.100 -0.252 0.000 0.975 968 R CB -0.274 29.826 30.300 -0.335 0.000 0.866 968 R HN 0.311 nan 8.270 nan 0.000 0.446 969 R N -0.342 120.058 120.500 -0.167 0.000 2.127 969 R HA -0.119 4.424 4.340 0.338 0.000 0.238 969 R C 0.624 176.710 176.300 -0.357 0.000 1.134 969 R CA 1.334 57.273 56.100 -0.269 0.000 0.975 969 R CB -0.056 30.040 30.300 -0.339 0.000 0.865 969 R HN 0.409 nan 8.270 nan 0.000 0.447 970 H N -1.835 117.253 119.070 0.029 0.000 2.503 970 H HA 0.214 4.973 4.556 0.339 0.000 0.296 970 H C 1.383 176.796 175.328 0.142 0.000 1.097 970 H CA 0.030 56.118 56.048 0.066 0.000 1.055 970 H CB 0.739 30.552 29.762 0.086 0.000 1.580 970 H HN 0.249 nan 8.280 nan 0.000 0.546 971 G N 0.735 109.602 108.800 0.112 0.000 2.476 971 G HA2 -0.262 3.901 3.960 0.338 0.000 0.218 971 G HA3 -0.262 3.901 3.960 0.338 0.000 0.218 971 G C 1.446 176.383 174.900 0.062 0.000 1.164 971 G CA 0.636 45.782 45.100 0.076 0.000 0.768 971 G HN 0.409 nan 8.290 nan 0.000 0.560 972 L N -0.151 121.044 121.223 -0.046 0.000 2.362 972 L HA 0.071 4.614 4.340 0.338 0.000 0.219 972 L C 2.556 179.239 176.870 -0.312 0.000 1.134 972 L CA 0.041 54.734 54.840 -0.246 0.000 0.807 972 L CB -0.163 41.750 42.059 -0.244 0.000 0.927 972 L HN 0.255 nan 8.230 nan 0.000 0.447 973 L N -1.092 120.078 121.223 -0.088 0.000 2.131 973 L HA -0.074 4.469 4.340 0.338 0.000 0.206 973 L C 2.141 178.893 176.870 -0.196 0.000 1.087 973 L CA 1.656 56.406 54.840 -0.150 0.000 0.767 973 L CB -0.382 41.562 42.059 -0.193 0.000 0.917 973 L HN -0.011 nan 8.230 nan 0.000 0.441 974 F N -0.484 119.444 119.950 -0.036 0.000 2.186 974 F HA -0.143 4.586 4.527 0.338 0.000 0.299 974 F C 2.222 178.040 175.800 0.030 0.000 1.090 974 F CA 1.368 59.384 58.000 0.027 0.000 1.307 974 F CB -0.647 38.312 39.000 -0.068 0.000 1.019 974 F HN -0.012 nan 8.300 nan 0.000 0.489 975 L N -0.850 120.413 121.223 0.067 0.000 2.046 975 L HA -0.258 4.285 4.340 0.338 0.000 0.208 975 L C 2.382 179.296 176.870 0.074 0.000 1.077 975 L CA 1.691 56.526 54.840 -0.008 0.000 0.747 975 L CB -0.933 41.052 42.059 -0.123 0.000 0.896 975 L HN 0.265 nan 8.230 nan 0.000 0.432 976 H N -0.503 118.605 119.070 0.063 0.000 2.326 976 H HA -0.127 4.632 4.556 0.338 0.000 0.301 976 H C 2.401 177.742 175.328 0.022 0.000 1.081 976 H CA 0.982 57.043 56.048 0.022 0.000 1.334 976 H CB 0.041 29.774 29.762 -0.050 0.000 1.385 976 H HN 0.199 nan 8.280 nan 0.000 0.504 977 L N -0.262 121.035 121.223 0.124 0.000 2.042 977 L HA -0.206 4.337 4.340 0.338 0.000 0.210 977 L C 1.935 178.843 176.870 0.063 0.000 1.076 977 L CA 1.108 55.973 54.840 0.041 0.000 0.749 977 L CB -0.383 41.663 42.059 -0.023 0.000 0.893 977 L HN 0.240 nan 8.230 nan 0.000 0.432 978 F N -0.024 119.937 119.950 0.017 0.000 2.206 978 F HA -0.101 4.629 4.527 0.338 0.000 0.298 978 F C 2.599 178.417 175.800 0.030 0.000 1.090 978 F CA 0.913 58.922 58.000 0.014 0.000 1.323 978 F CB -0.887 38.105 39.000 -0.014 0.000 1.028 978 F HN -0.013 nan 8.300 nan 0.000 0.492 979 A N 0.295 123.249 122.820 0.222 0.000 1.908 979 A HA -0.173 4.350 4.320 0.338 0.000 0.218 979 A C 2.216 179.891 177.584 0.152 0.000 1.181 979 A CA 1.636 53.776 52.037 0.172 0.000 0.627 979 A CB -1.106 18.006 19.000 0.186 0.000 0.818 979 A HN 0.410 nan 8.150 nan 0.000 0.445 980 L N -1.376 119.916 121.223 0.114 0.000 2.240 980 L HA -0.069 4.474 4.340 0.338 0.000 0.211 980 L C 2.393 179.247 176.870 -0.027 0.000 1.106 980 L CA 0.415 55.303 54.840 0.080 0.000 0.793 980 L CB -0.430 41.650 42.059 0.034 0.000 0.927 980 L HN 0.291 nan 8.230 nan 0.000 0.446 981 M N -0.322 119.242 119.600 -0.060 0.000 2.476 981 M HA -0.073 4.610 4.480 0.338 0.000 0.262 981 M C 2.131 178.384 176.300 -0.079 0.000 1.079 981 M CA 1.211 56.437 55.300 -0.124 0.000 1.104 981 M CB -0.868 31.597 32.600 -0.223 0.000 1.409 981 M HN 0.181 nan 8.290 nan 0.000 0.467 982 R N -0.145 120.352 120.500 -0.005 0.000 2.211 982 R HA -0.118 4.425 4.340 0.338 0.000 0.240 982 R C 2.007 178.268 176.300 -0.065 0.000 1.144 982 R CA 1.352 57.458 56.100 0.010 0.000 0.992 982 R CB -0.521 29.826 30.300 0.080 0.000 0.869 982 R HN 0.365 nan 8.270 nan 0.000 0.462 983 A N 0.895 123.599 122.820 -0.194 0.000 2.119 983 A HA 0.044 4.567 4.320 0.338 0.000 0.217 983 A C 2.250 179.645 177.584 -0.316 0.000 1.153 983 A CA 1.155 52.911 52.037 -0.468 0.000 0.692 983 A CB -0.260 18.074 19.000 -1.110 0.000 0.799 983 A HN 0.359 nan 8.150 nan 0.000 0.458 984 A N -1.431 121.263 122.820 -0.210 0.000 2.015 984 A HA 0.296 4.819 4.320 0.338 0.000 0.219 984 A C 2.207 179.715 177.584 -0.127 0.000 1.163 984 A CA 1.611 53.556 52.037 -0.154 0.000 0.646 984 A CB -0.922 18.005 19.000 -0.122 0.000 0.806 984 A HN 1.791 nan 8.150 nan 0.000 0.448 985 G N -1.922 106.809 108.800 -0.115 0.000 2.234 985 G HA2 -0.251 3.912 3.960 0.338 0.000 0.260 985 G HA3 -0.251 3.912 3.960 0.338 0.000 0.260 985 G C 0.235 175.100 174.900 -0.060 0.000 0.987 985 G CA 0.231 45.273 45.100 -0.096 0.000 0.625 985 G HN 0.627 nan 8.290 nan 0.000 0.532 986 L N 1.521 122.714 121.223 -0.049 0.000 2.972 986 L HA 0.003 4.546 4.340 0.338 0.000 0.312 986 L C -0.057 176.809 176.870 -0.007 0.000 1.169 986 L CA 0.879 55.702 54.840 -0.029 0.000 0.873 986 L CB 0.370 42.426 42.059 -0.005 0.000 1.237 986 L HN 0.100 nan 8.230 nan 0.000 0.510 987 P HA -0.158 nan 4.420 nan 0.000 0.218 987 P C 0.884 178.199 177.300 0.026 0.000 1.149 987 P CA 1.076 64.172 63.100 -0.006 0.000 0.817 987 P CB 0.254 31.944 31.700 -0.018 0.000 0.785 988 E N -1.638 118.600 120.200 0.062 0.000 2.463 988 E HA 0.126 4.679 4.350 0.338 0.000 0.193 988 E C -0.296 176.455 176.600 0.251 0.000 1.041 988 E CA -0.140 56.351 56.400 0.151 0.000 0.879 988 E CB 0.002 29.808 29.700 0.177 0.000 0.997 988 E HN -0.031 nan 8.360 nan 0.000 0.478 989 L N 0.375 121.705 121.223 0.178 0.000 2.480 989 L HA 0.294 4.837 4.340 0.338 0.000 0.253 989 L C -0.202 176.711 176.870 0.071 0.000 1.324 989 L CA 0.074 55.010 54.840 0.160 0.000 0.916 989 L CB 0.842 43.032 42.059 0.218 0.000 1.160 989 L HN -0.050 nan 8.230 nan 0.000 0.503 990 S N -0.236 115.492 115.700 0.047 0.000 3.186 990 S HA 0.245 4.918 4.470 0.338 0.000 0.253 990 S C 0.733 175.334 174.600 0.001 0.000 1.071 990 S CA 0.374 58.579 58.200 0.009 0.000 0.796 990 S CB 0.123 63.321 63.200 -0.003 0.000 0.818 990 S HN 0.613 nan 8.310 nan 0.000 0.498 991 C N 0.719 120.025 119.300 0.010 0.000 2.656 991 C HA 0.803 5.466 4.460 0.338 0.000 0.404 991 C C 1.889 176.890 174.990 0.017 0.000 1.423 991 C CA -0.301 58.720 59.018 0.004 0.000 1.784 991 C CB 0.762 28.502 27.740 -0.001 0.000 2.093 991 C HN 0.316 nan 8.230 nan 0.000 0.492 992 S N 0.348 116.055 115.700 0.012 0.000 2.423 992 S HA -0.083 4.590 4.470 0.338 0.000 0.231 992 S C 1.910 176.524 174.600 0.022 0.000 1.014 992 S CA 1.011 59.220 58.200 0.016 0.000 0.965 992 S CB -0.304 62.900 63.200 0.007 0.000 0.785 992 S HN 0.687 nan 8.310 nan 0.000 0.495 993 K N 1.632 122.048 120.400 0.027 0.000 2.147 993 K HA -0.062 4.461 4.320 0.338 0.000 0.205 993 K C 1.289 177.928 176.600 0.065 0.000 1.049 993 K CA 1.006 57.319 56.287 0.043 0.000 0.936 993 K CB -0.535 31.992 32.500 0.047 0.000 0.722 993 K HN 0.396 nan 8.250 nan 0.000 0.446 994 D N 0.723 121.151 120.400 0.048 0.000 2.149 994 D HA -0.094 4.749 4.640 0.338 0.000 0.201 994 D C 1.941 178.248 176.300 0.013 0.000 0.972 994 D CA 0.632 54.652 54.000 0.032 0.000 0.835 994 D CB -0.028 40.785 40.800 0.021 0.000 0.966 994 D HN 0.103 nan 8.370 nan 0.000 0.476 995 I N 0.777 121.353 120.570 0.011 0.000 2.286 995 I HA -0.201 4.172 4.170 0.338 0.000 0.245 995 I C 2.429 178.528 176.117 -0.030 0.000 1.104 995 I CA 0.770 62.057 61.300 -0.022 0.000 1.397 995 I CB -0.819 37.188 38.000 0.011 0.000 1.072 995 I HN -0.003 nan 8.210 nan 0.000 0.417 996 Q N 0.938 120.738 119.800 -0.001 0.000 2.152 996 Q HA -0.281 4.262 4.340 0.338 0.000 0.206 996 Q C 2.194 178.177 176.000 -0.028 0.000 0.985 996 Q CA 1.891 57.684 55.803 -0.016 0.000 0.863 996 Q CB -0.807 27.932 28.738 0.002 0.000 0.904 996 Q HN 0.538 nan 8.270 nan 0.000 0.422 997 Y N -0.206 120.033 120.300 -0.101 0.000 2.128 997 Y HA -0.247 4.506 4.550 0.339 0.000 0.284 997 Y C 1.825 177.623 175.900 -0.170 0.000 1.154 997 Y CA 1.937 59.967 58.100 -0.117 0.000 1.149 997 Y CB -0.146 38.238 38.460 -0.126 0.000 0.976 997 Y HN 0.170 nan 8.280 nan 0.000 0.505 998 L N -0.036 121.157 121.223 -0.050 0.000 2.046 998 L HA -0.262 4.281 4.340 0.338 0.000 0.208 998 L C 2.442 179.210 176.870 -0.171 0.000 1.077 998 L CA 1.531 56.259 54.840 -0.186 0.000 0.747 998 L CB -0.489 41.369 42.059 -0.335 0.000 0.896 998 L HN 0.254 nan 8.230 nan 0.000 0.432 999 K N -0.050 120.269 120.400 -0.135 0.000 2.044 999 K HA -0.226 4.297 4.320 0.338 0.000 0.210 999 K C 1.606 178.134 176.600 -0.120 0.000 1.049 999 K CA 1.854 58.074 56.287 -0.111 0.000 0.927 999 K CB -0.304 32.145 32.500 -0.084 0.000 0.713 999 K HN 0.417 nan 8.250 nan 0.000 0.443 1000 D N 0.199 120.502 120.400 -0.162 0.000 2.149 1000 D HA -0.093 4.750 4.640 0.338 0.000 0.201 1000 D C 2.093 178.315 176.300 -0.131 0.000 0.972 1000 D CA 1.385 55.284 54.000 -0.169 0.000 0.835 1000 D CB -0.188 40.478 40.800 -0.223 0.000 0.966 1000 D HN 0.218 nan 8.370 nan 0.000 0.476 1001 S N 0.631 116.207 115.700 -0.208 0.000 2.402 1001 S HA -0.058 4.615 4.470 0.338 0.000 0.229 1001 S C 2.039 176.735 174.600 0.161 0.000 1.021 1001 S CA 0.498 58.622 58.200 -0.126 0.000 0.974 1001 S CB -0.557 62.456 63.200 -0.312 0.000 0.800 1001 S HN 0.218 nan 8.310 nan 0.000 0.484 1002 L N 1.187 122.427 121.223 0.029 0.000 2.591 1002 L HA 0.378 4.921 4.340 0.338 0.000 0.228 1002 L C 1.433 178.314 176.870 0.019 0.000 1.133 1002 L CA 0.176 55.012 54.840 -0.006 0.000 0.880 1002 L CB -0.785 41.187 42.059 -0.146 0.000 1.033 1002 L HN 0.443 nan 8.230 nan 0.000 0.450 1003 A N 0.790 123.639 122.820 0.049 0.000 2.596 1003 A HA -0.224 4.299 4.320 0.338 0.000 0.300 1003 A C 1.356 178.917 177.584 -0.038 0.000 1.495 1003 A CA 0.524 52.560 52.037 -0.002 0.000 0.769 1003 A CB -1.548 17.489 19.000 0.062 0.000 1.047 1003 A HN 0.361 nan 8.150 nan 0.000 0.436 1004 L N -0.781 120.405 121.223 -0.062 0.000 2.610 1004 L HA 0.037 4.580 4.340 0.338 0.000 0.232 1004 L C 1.925 178.760 176.870 -0.058 0.000 1.149 1004 L CA 2.018 56.815 54.840 -0.071 0.000 0.872 1004 L CB -0.982 41.028 42.059 -0.082 0.000 0.992 1004 L HN 0.698 nan 8.230 nan 0.000 0.447 1005 G N -0.712 108.056 108.800 -0.054 0.000 2.744 1005 G HA2 -0.034 4.129 3.960 0.338 0.000 0.211 1005 G HA3 -0.034 4.129 3.960 0.338 0.000 0.211 1005 G C 0.846 175.724 174.900 -0.037 0.000 1.146 1005 G CA -0.212 44.861 45.100 -0.046 0.000 0.787 1005 G HN 0.255 nan 8.290 nan 0.000 0.534 1006 K N 0.838 121.217 120.400 -0.035 0.000 2.090 1006 K HA 0.433 4.956 4.320 0.338 0.000 0.249 1006 K C 0.621 177.211 176.600 -0.016 0.000 0.995 1006 K CA -0.381 55.892 56.287 -0.022 0.000 0.914 1006 K CB 0.929 33.420 32.500 -0.016 0.000 1.057 1006 K HN 0.138 nan 8.250 nan 0.000 0.462 1007 T N -2.349 112.201 114.554 -0.007 0.000 2.802 1007 T HA -0.017 4.536 4.350 0.338 0.000 0.305 1007 T C 1.080 175.782 174.700 0.003 0.000 1.053 1007 T CA -0.336 61.761 62.100 -0.005 0.000 1.058 1007 T CB 0.971 69.840 68.868 0.000 0.000 0.988 1007 T HN 0.714 nan 8.240 nan 0.000 0.539 1008 E N -0.322 119.876 120.200 -0.003 0.000 2.418 1008 E HA -0.123 4.430 4.350 0.338 0.000 0.197 1008 E C 1.750 178.366 176.600 0.026 0.000 1.026 1008 E CA 0.624 57.025 56.400 0.003 0.000 0.862 1008 E CB 0.063 29.754 29.700 -0.016 0.000 0.799 1008 E HN 0.841 nan 8.360 nan 0.000 0.518 1009 E N 0.943 121.157 120.200 0.024 0.000 2.046 1009 E HA -0.172 4.381 4.350 0.338 0.000 0.190 1009 E C 1.666 178.298 176.600 0.053 0.000 0.982 1009 E CA 1.514 57.932 56.400 0.031 0.000 0.800 1009 E CB 0.143 29.855 29.700 0.021 0.000 0.756 1009 E HN 0.303 nan 8.360 nan 0.000 0.449 1010 E N 0.195 120.427 120.200 0.053 0.000 2.072 1010 E HA -0.122 4.431 4.350 0.338 0.000 0.190 1010 E C 2.151 178.827 176.600 0.126 0.000 0.982 1010 E CA 0.789 57.231 56.400 0.071 0.000 0.803 1010 E CB -0.197 29.529 29.700 0.043 0.000 0.755 1010 E HN 0.348 nan 8.360 nan 0.000 0.453 1011 A N 1.686 124.583 122.820 0.128 0.000 1.902 1011 A HA -0.160 4.363 4.320 0.338 0.000 0.217 1011 A C 2.196 179.973 177.584 0.321 0.000 1.181 1011 A CA 1.020 53.191 52.037 0.224 0.000 0.623 1011 A CB -0.489 18.619 19.000 0.179 0.000 0.818 1011 A HN 0.190 nan 8.150 nan 0.000 0.443 1012 L N -0.398 120.958 121.223 0.222 0.000 2.141 1012 L HA -0.053 4.490 4.340 0.338 0.000 0.209 1012 L C 2.188 179.159 176.870 0.169 0.000 1.094 1012 L CA 2.464 57.426 54.840 0.203 0.000 0.763 1012 L CB -0.598 41.526 42.059 0.109 0.000 0.908 1012 L HN 0.403 nan 8.230 nan 0.000 0.437 1013 K N -1.367 119.113 120.400 0.133 0.000 2.031 1013 K HA -0.226 4.297 4.320 0.338 0.000 0.205 1013 K C 2.270 178.924 176.600 0.091 0.000 1.049 1013 K CA 1.770 58.109 56.287 0.087 0.000 0.939 1013 K CB -0.379 32.166 32.500 0.076 0.000 0.717 1013 K HN 0.526 nan 8.250 nan 0.000 0.438 1014 H N -0.737 118.368 119.070 0.058 0.000 2.256 1014 H HA -0.139 4.620 4.556 0.338 0.000 0.299 1014 H C 1.730 177.060 175.328 0.003 0.000 1.071 1014 H CA 2.465 58.539 56.048 0.043 0.000 1.280 1014 H CB -0.699 29.112 29.762 0.081 0.000 1.370 1014 H HN 0.227 nan 8.280 nan 0.000 0.490 1015 F N 1.470 121.340 119.950 -0.134 0.000 2.106 1015 F HA -0.313 4.417 4.527 0.338 0.000 0.299 1015 F C 2.432 177.998 175.800 -0.390 0.000 1.082 1015 F CA 2.134 59.890 58.000 -0.407 0.000 1.244 1015 F CB -0.266 38.412 39.000 -0.536 0.000 0.997 1015 F HN 0.132 nan 8.300 nan 0.000 0.486 1016 R N -0.588 119.788 120.500 -0.206 0.000 2.115 1016 R HA -0.092 4.451 4.340 0.338 0.000 0.230 1016 R C 2.173 178.336 176.300 -0.228 0.000 1.111 1016 R CA 1.308 57.264 56.100 -0.240 0.000 0.976 1016 R CB -0.596 29.645 30.300 -0.099 0.000 0.870 1016 R HN 0.280 nan 8.270 nan 0.000 0.445 1017 V N 1.396 121.172 119.914 -0.230 0.000 2.358 1017 V HA -0.223 4.100 4.120 0.338 0.000 0.246 1017 V C 2.261 178.188 176.094 -0.280 0.000 1.047 1017 V CA 1.566 63.743 62.300 -0.206 0.000 1.035 1017 V CB -0.279 31.437 31.823 -0.178 0.000 0.658 1017 V HN 0.199 nan 8.190 nan 0.000 0.452 1018 K N -0.555 119.571 120.400 -0.456 0.000 2.026 1018 K HA -0.177 4.346 4.320 0.338 0.000 0.208 1018 K C 2.079 178.379 176.600 -0.500 0.000 1.048 1018 K CA 1.771 57.766 56.287 -0.487 0.000 0.929 1018 K CB -0.711 31.397 32.500 -0.652 0.000 0.713 1018 K HN 0.502 nan 8.250 nan 0.000 0.439 1019 F N 2.807 122.213 119.950 -0.908 0.000 2.134 1019 F HA -0.220 4.510 4.527 0.338 0.000 0.299 1019 F C 1.873 177.502 175.800 -0.285 0.000 1.097 1019 F CA 1.355 58.875 58.000 -0.800 0.000 1.264 1019 F CB -0.128 38.286 39.000 -0.977 0.000 1.001 1019 F HN 0.066 nan 8.300 nan 0.000 0.479 1020 N N 0.838 119.574 118.700 0.060 0.000 2.043 1020 N HA -0.210 4.733 4.740 0.338 0.000 0.193 1020 N C 1.758 177.250 175.510 -0.031 0.000 1.037 1020 N CA 1.852 54.945 53.050 0.071 0.000 0.851 1020 N CB -0.692 37.817 38.487 0.036 0.000 1.027 1020 N HN 0.450 nan 8.380 nan 0.000 0.422 1021 E N 0.410 120.561 120.200 -0.081 0.000 2.130 1021 E HA -0.161 4.392 4.350 0.338 0.000 0.196 1021 E C 1.848 178.410 176.600 -0.064 0.000 0.998 1021 E CA 1.257 57.615 56.400 -0.070 0.000 0.806 1021 E CB -0.103 29.549 29.700 -0.080 0.000 0.738 1021 E HN 0.403 nan 8.360 nan 0.000 0.459 1022 A N 0.679 123.441 122.820 -0.096 0.000 1.898 1022 A HA -0.158 4.365 4.320 0.338 0.000 0.216 1022 A C 2.083 179.625 177.584 -0.069 0.000 1.181 1022 A CA 0.871 52.873 52.037 -0.059 0.000 0.620 1022 A CB -0.454 18.553 19.000 0.013 0.000 0.819 1022 A HN 0.188 nan 8.150 nan 0.000 0.442 1023 L N -0.267 120.897 121.223 -0.100 0.000 2.012 1023 L HA -0.146 4.397 4.340 0.338 0.000 0.210 1023 L C 2.416 179.279 176.870 -0.012 0.000 1.073 1023 L CA 2.100 56.924 54.840 -0.026 0.000 0.748 1023 L CB -0.834 41.246 42.059 0.035 0.000 0.891 1023 L HN 0.398 nan 8.230 nan 0.000 0.431 1024 R N -0.446 120.043 120.500 -0.018 0.000 2.159 1024 R HA -0.230 4.313 4.340 0.338 0.000 0.249 1024 R C 2.164 178.447 176.300 -0.029 0.000 1.136 1024 R CA 2.167 58.254 56.100 -0.021 0.000 0.951 1024 R CB -0.309 29.975 30.300 -0.027 0.000 0.876 1024 R HN 0.464 nan 8.270 nan 0.000 0.440 1025 E N 0.225 120.402 120.200 -0.039 0.000 2.110 1025 E HA -0.098 4.455 4.350 0.338 0.000 0.193 1025 E C 0.682 177.249 176.600 -0.055 0.000 0.988 1025 E CA 0.496 56.860 56.400 -0.060 0.000 0.804 1025 E CB -0.322 29.344 29.700 -0.058 0.000 0.745 1025 E HN 0.113 nan 8.360 nan 0.000 0.458 1026 S N 0.637 116.341 115.700 0.006 0.000 2.555 1026 S HA -0.032 4.641 4.470 0.338 0.000 0.293 1026 S C -0.297 174.362 174.600 0.099 0.000 1.248 1026 S CA -0.372 57.886 58.200 0.096 0.000 1.096 1026 S CB -0.297 63.006 63.200 0.172 0.000 0.881 1026 S HN 0.155 nan 8.310 nan 0.000 0.498 1027 W N 0.000 121.172 121.300 -0.214 0.000 2.388 1027 W HA 0.000 4.863 4.660 0.338 0.000 0.303 1027 W CA 0.000 57.170 57.345 -0.292 0.000 1.226 1027 W CB 0.000 29.152 29.460 -0.512 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535