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 2wxi_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 XXXXXXXXXX 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 0.000 176.099 176.094 0.009 0.000 1.182 109 V CA 0.000 62.304 62.300 0.006 0.000 1.235 109 V CB 0.000 31.826 31.823 0.004 0.000 1.184 110 K N 2.207 122.614 120.400 0.011 0.000 2.288 110 K HA -0.106 4.336 4.320 0.203 0.000 0.201 110 K C 1.699 178.312 176.600 0.021 0.000 1.048 110 K CA 2.294 58.590 56.287 0.016 0.000 0.956 110 K CB -0.066 32.444 32.500 0.017 0.000 0.746 110 K HN 0.353 nan 8.250 nan 0.000 0.461 111 K N 0.669 121.080 120.400 0.019 0.000 2.057 111 K HA -0.092 4.350 4.320 0.203 0.000 0.207 111 K C 1.852 178.463 176.600 0.018 0.000 1.049 111 K CA 1.365 57.664 56.287 0.020 0.000 0.931 111 K CB -0.474 32.036 32.500 0.016 0.000 0.714 111 K HN 0.234 nan 8.250 nan 0.000 0.440 112 L N 0.450 121.681 121.223 0.013 0.000 1.989 112 L HA -0.109 4.352 4.340 0.203 0.000 0.211 112 L C 2.118 178.995 176.870 0.011 0.000 1.071 112 L CA 1.506 56.352 54.840 0.010 0.000 0.749 112 L CB -0.448 41.615 42.059 0.006 0.000 0.890 112 L HN 0.221 nan 8.230 nan 0.000 0.431 113 I N -0.047 120.530 120.570 0.012 0.000 2.194 113 I HA -0.344 3.948 4.170 0.203 0.000 0.246 113 I C 2.259 178.389 176.117 0.021 0.000 1.093 113 I CA 1.338 62.645 61.300 0.011 0.000 1.355 113 I CB -0.707 37.300 38.000 0.011 0.000 1.046 113 I HN 0.353 nan 8.210 nan 0.000 0.413 114 N N 0.112 118.830 118.700 0.030 0.000 2.069 114 N HA -0.166 4.695 4.740 0.203 0.000 0.191 114 N C 2.091 177.624 175.510 0.038 0.000 1.031 114 N CA 1.957 55.033 53.050 0.043 0.000 0.852 114 N CB -0.379 38.137 38.487 0.048 0.000 1.018 114 N HN 0.488 nan 8.380 nan 0.000 0.423 115 S N 0.397 116.115 115.700 0.030 0.000 2.406 115 S HA -0.047 4.545 4.470 0.203 0.000 0.228 115 S C 1.866 176.479 174.600 0.021 0.000 1.020 115 S CA 0.538 58.754 58.200 0.027 0.000 0.965 115 S CB -0.309 62.905 63.200 0.023 0.000 0.798 115 S HN 0.281 nan 8.310 nan 0.000 0.488 116 Q N 1.011 120.819 119.800 0.014 0.000 2.061 116 Q HA -0.033 4.429 4.340 0.203 0.000 0.204 116 Q C 2.215 178.222 176.000 0.012 0.000 0.984 116 Q CA 1.907 57.713 55.803 0.006 0.000 0.846 116 Q CB -0.549 28.186 28.738 -0.006 0.000 0.902 116 Q HN 0.595 nan 8.270 nan 0.000 0.421 117 I N 0.562 121.147 120.570 0.024 0.000 2.151 117 I HA -0.331 3.961 4.170 0.203 0.000 0.243 117 I C 2.234 178.381 176.117 0.050 0.000 1.080 117 I CA 1.347 62.675 61.300 0.046 0.000 1.339 117 I CB -0.313 37.732 38.000 0.075 0.000 1.039 117 I HN 0.160 nan 8.210 nan 0.000 0.409 118 S N 0.666 116.385 115.700 0.031 0.000 2.402 118 S HA -0.111 4.481 4.470 0.203 0.000 0.229 118 S C 1.942 176.553 174.600 0.017 0.000 1.021 118 S CA 0.746 58.948 58.200 0.003 0.000 0.974 118 S CB -0.325 62.863 63.200 -0.021 0.000 0.800 118 S HN 0.285 nan 8.310 nan 0.000 0.484 119 L N 1.351 122.589 121.223 0.026 0.000 2.027 119 L HA 0.080 4.541 4.340 0.203 0.000 0.206 119 L C 2.204 179.102 176.870 0.048 0.000 1.074 119 L CA 1.506 56.365 54.840 0.031 0.000 0.745 119 L CB -1.263 40.810 42.059 0.023 0.000 0.898 119 L HN 0.309 nan 8.230 nan 0.000 0.433 120 L N 0.475 121.726 121.223 0.045 0.000 2.046 120 L HA -0.156 4.306 4.340 0.203 0.000 0.208 120 L C 2.231 179.186 176.870 0.141 0.000 1.077 120 L CA 1.885 56.765 54.840 0.066 0.000 0.747 120 L CB -0.462 41.597 42.059 0.000 0.000 0.896 120 L HN 0.414 nan 8.230 nan 0.000 0.432 121 I N -4.096 116.547 120.570 0.123 0.000 3.684 121 I HA 0.345 4.637 4.170 0.203 0.000 0.304 121 I C 1.528 177.690 176.117 0.074 0.000 1.278 121 I CA 0.554 61.927 61.300 0.122 0.000 1.272 121 I CB -0.874 37.215 38.000 0.149 0.000 1.029 121 I HN 0.315 nan 8.210 nan 0.000 0.458 122 G N 1.834 110.673 108.800 0.065 0.000 2.186 122 G HA2 -0.359 3.722 3.960 0.203 0.000 0.266 122 G HA3 -0.359 3.722 3.960 0.203 0.000 0.266 122 G C 0.259 175.163 174.900 0.008 0.000 0.982 122 G CA 0.832 45.962 45.100 0.050 0.000 0.670 122 G HN 0.619 nan 8.290 nan 0.000 0.533 123 K N 0.087 120.469 120.400 -0.030 0.000 2.378 123 K HA 0.563 5.005 4.320 0.203 0.000 0.252 123 K C 0.500 176.952 176.600 -0.247 0.000 0.931 123 K CA -0.230 55.969 56.287 -0.146 0.000 0.794 123 K CB 1.353 33.751 32.500 -0.171 0.000 1.181 123 K HN 0.249 nan 8.250 nan 0.000 0.425 124 G N 3.323 111.922 108.800 -0.336 0.000 2.370 124 G HA2 0.183 4.265 3.960 0.203 0.000 0.272 124 G HA3 0.183 4.265 3.960 0.203 0.000 0.272 124 G C 0.899 175.399 174.900 -0.665 0.000 1.208 124 G CA -0.461 44.417 45.100 -0.370 0.000 0.856 124 G HN 0.690 nan 8.290 nan 0.000 0.500 125 L N 1.469 122.452 121.223 -0.400 0.000 2.261 125 L HA -0.150 4.312 4.340 0.203 0.000 0.216 125 L C 2.632 179.328 176.870 -0.290 0.000 1.114 125 L CA 1.562 56.180 54.840 -0.371 0.000 0.777 125 L CB -0.500 41.558 42.059 -0.001 0.000 0.910 125 L HN 0.914 nan 8.230 nan 0.000 0.440 126 H N -1.256 117.725 119.070 -0.148 0.000 2.456 126 H HA -0.114 4.563 4.556 0.202 0.000 0.296 126 H C 1.779 177.056 175.328 -0.085 0.000 1.079 126 H CA 1.107 57.112 56.048 -0.072 0.000 1.322 126 H CB -0.455 29.274 29.762 -0.055 0.000 1.388 126 H HN 0.371 nan 8.280 nan 0.000 0.538 127 E N 0.188 120.028 120.200 -0.600 0.000 2.153 127 E HA -0.114 4.357 4.350 0.203 0.000 0.194 127 E C 1.244 177.765 176.600 -0.131 0.000 0.988 127 E CA 0.889 57.062 56.400 -0.378 0.000 0.811 127 E CB -0.148 29.227 29.700 -0.541 0.000 0.746 127 E HN 0.455 nan 8.360 nan 0.000 0.466 128 F N 2.052 121.959 119.950 -0.071 0.000 2.134 128 F HA -0.151 4.498 4.527 0.203 0.000 0.299 128 F C 2.007 177.810 175.800 0.006 0.000 1.097 128 F CA 0.885 58.870 58.000 -0.024 0.000 1.264 128 F CB -0.728 38.270 39.000 -0.003 0.000 1.001 128 F HN -0.028 nan 8.300 nan 0.000 0.479 129 D N -0.457 120.061 120.400 0.197 0.000 2.117 129 D HA -0.122 4.640 4.640 0.203 0.000 0.198 129 D C 2.220 178.581 176.300 0.102 0.000 0.982 129 D CA 1.472 55.554 54.000 0.137 0.000 0.828 129 D CB -0.636 40.235 40.800 0.119 0.000 0.967 129 D HN 0.173 nan 8.370 nan 0.000 0.464 130 S N 0.739 116.493 115.700 0.090 0.000 2.440 130 S HA -0.094 4.498 4.470 0.203 0.000 0.240 130 S C 2.045 176.677 174.600 0.054 0.000 1.014 130 S CA 0.467 58.708 58.200 0.067 0.000 0.980 130 S CB -0.201 63.038 63.200 0.064 0.000 0.775 130 S HN 0.285 nan 8.310 nan 0.000 0.499 131 L N 0.861 122.124 121.223 0.067 0.000 2.554 131 L HA 0.138 4.600 4.340 0.203 0.000 0.226 131 L C 0.318 177.221 176.870 0.055 0.000 1.137 131 L CA -0.077 54.795 54.840 0.054 0.000 0.863 131 L CB -0.267 41.829 42.059 0.062 0.000 0.985 131 L HN 0.122 nan 8.230 nan 0.000 0.451 132 R N 0.969 121.507 120.500 0.064 0.000 3.184 132 R HA -0.219 4.242 4.340 0.203 0.000 0.242 132 R C -0.413 175.925 176.300 0.064 0.000 0.907 132 R CA 0.541 56.679 56.100 0.063 0.000 0.618 132 R CB -2.486 27.846 30.300 0.053 0.000 1.016 132 R HN 0.310 nan 8.270 nan 0.000 0.469 133 D N -0.293 120.145 120.400 0.064 0.000 2.440 133 D HA 0.340 5.101 4.640 0.203 0.000 0.239 133 D C -1.555 174.782 176.300 0.061 0.000 1.084 133 D CA -2.641 51.394 54.000 0.058 0.000 0.843 133 D CB 1.549 42.371 40.800 0.036 0.000 1.097 133 D HN -0.121 nan 8.370 nan 0.000 0.531 134 P HA -0.174 nan 4.420 nan 0.000 0.216 134 P C 1.127 178.481 177.300 0.090 0.000 1.153 134 P CA 1.054 64.239 63.100 0.142 0.000 0.858 134 P CB 0.429 32.267 31.700 0.230 0.000 0.789 135 E N -0.450 119.703 120.200 -0.077 0.000 2.031 135 E HA -0.158 4.314 4.350 0.203 0.000 0.193 135 E C 1.893 178.373 176.600 -0.200 0.000 0.994 135 E CA 1.257 57.355 56.400 -0.504 0.000 0.800 135 E CB -0.430 28.820 29.700 -0.749 0.000 0.752 135 E HN -0.091 nan 8.360 nan 0.000 0.447 136 V N 2.129 121.977 119.914 -0.111 0.000 2.233 136 V HA -0.339 3.903 4.120 0.203 0.000 0.247 136 V C 2.086 178.192 176.094 0.020 0.000 1.050 136 V CA 2.127 64.381 62.300 -0.077 0.000 1.010 136 V CB -0.780 30.995 31.823 -0.079 0.000 0.637 136 V HN 0.353 nan 8.190 nan 0.000 0.444 137 N N 0.440 119.163 118.700 0.039 0.000 2.037 137 N HA -0.201 4.660 4.740 0.203 0.000 0.196 137 N C 1.525 177.083 175.510 0.081 0.000 1.034 137 N CA 1.977 55.068 53.050 0.069 0.000 0.861 137 N CB -0.749 37.784 38.487 0.077 0.000 1.039 137 N HN 0.517 nan 8.380 nan 0.000 0.427 138 D N 0.523 120.977 120.400 0.090 0.000 2.088 138 D HA -0.153 4.609 4.640 0.203 0.000 0.191 138 D C 1.823 178.169 176.300 0.076 0.000 0.992 138 D CA 0.591 54.649 54.000 0.098 0.000 0.831 138 D CB -0.802 40.097 40.800 0.165 0.000 0.973 138 D HN 0.176 nan 8.370 nan 0.000 0.447 139 F N 2.105 122.021 119.950 -0.057 0.000 2.063 139 F HA -0.337 4.311 4.527 0.203 0.000 0.297 139 F C 2.500 178.268 175.800 -0.053 0.000 1.099 139 F CA 2.015 59.975 58.000 -0.068 0.000 1.220 139 F CB -0.036 38.895 39.000 -0.115 0.000 0.972 139 F HN -0.144 nan 8.300 nan 0.000 0.487 140 R N -0.644 119.980 120.500 0.207 0.000 2.080 140 R HA -0.180 4.282 4.340 0.203 0.000 0.236 140 R C 2.206 178.511 176.300 0.009 0.000 1.137 140 R CA 2.414 58.582 56.100 0.113 0.000 0.943 140 R CB -1.206 29.145 30.300 0.084 0.000 0.846 140 R HN 0.499 nan 8.270 nan 0.000 0.431 141 T N -0.887 113.675 114.554 0.013 0.000 2.942 141 T HA -0.053 4.418 4.350 0.203 0.000 0.265 141 T C 1.839 176.526 174.700 -0.021 0.000 1.062 141 T CA 0.960 63.065 62.100 0.008 0.000 1.139 141 T CB -0.006 68.880 68.868 0.029 0.000 0.883 141 T HN 0.180 nan 8.240 nan 0.000 0.468 142 K N 0.408 120.771 120.400 -0.061 0.000 2.025 142 K HA 0.020 4.462 4.320 0.203 0.000 0.207 142 K C 2.305 178.849 176.600 -0.094 0.000 1.049 142 K CA 1.054 57.296 56.287 -0.074 0.000 0.933 142 K CB -0.193 32.242 32.500 -0.108 0.000 0.714 142 K HN 0.108 nan 8.250 nan 0.000 0.438 143 M N 0.641 120.099 119.600 -0.237 0.000 2.229 143 M HA -0.079 4.523 4.480 0.203 0.000 0.264 143 M C 2.140 178.425 176.300 -0.024 0.000 1.063 143 M CA 1.355 56.521 55.300 -0.223 0.000 1.114 143 M CB -0.833 31.414 32.600 -0.588 0.000 1.387 143 M HN 0.212 nan 8.290 nan 0.000 0.420 144 R N 0.104 120.589 120.500 -0.025 0.000 2.096 144 R HA -0.198 4.264 4.340 0.203 0.000 0.235 144 R C 2.196 178.508 176.300 0.020 0.000 1.127 144 R CA 1.697 57.805 56.100 0.014 0.000 0.968 144 R CB -0.097 30.214 30.300 0.019 0.000 0.861 144 R HN 0.437 nan 8.270 nan 0.000 0.440 145 Q N -0.715 119.103 119.800 0.031 0.000 2.046 145 Q HA -0.182 4.279 4.340 0.203 0.000 0.200 145 Q C 1.796 177.827 176.000 0.051 0.000 0.975 145 Q CA 1.719 57.543 55.803 0.034 0.000 0.836 145 Q CB -0.173 28.590 28.738 0.042 0.000 0.896 145 Q HN 0.345 nan 8.270 nan 0.000 0.428 146 F N 0.197 120.108 119.950 -0.066 0.000 2.095 146 F HA -0.289 4.359 4.527 0.203 0.000 0.298 146 F C 2.057 177.826 175.800 -0.053 0.000 1.104 146 F CA 1.478 59.441 58.000 -0.062 0.000 1.232 146 F CB -0.613 38.339 39.000 -0.080 0.000 0.987 146 F HN 0.189 nan 8.300 nan 0.000 0.475 147 C N 0.519 119.760 119.300 -0.098 0.000 2.446 147 C HA -0.128 4.453 4.460 0.203 0.000 0.277 147 C C 2.592 177.471 174.990 -0.184 0.000 1.275 147 C CA 1.111 60.025 59.018 -0.173 0.000 1.727 147 C CB -1.251 26.472 27.740 -0.028 0.000 2.010 147 C HN 0.514 nan 8.230 nan 0.000 0.486 148 E N 0.907 121.039 120.200 -0.113 0.000 2.160 148 E HA -0.213 4.258 4.350 0.203 0.000 0.195 148 E C 2.001 178.530 176.600 -0.120 0.000 0.991 148 E CA 1.237 57.579 56.400 -0.097 0.000 0.810 148 E CB -0.197 29.471 29.700 -0.054 0.000 0.742 148 E HN 0.726 nan 8.360 nan 0.000 0.466 149 E N 0.719 120.823 120.200 -0.161 0.000 2.107 149 E HA -0.109 4.363 4.350 0.203 0.000 0.191 149 E C 2.193 178.675 176.600 -0.198 0.000 0.982 149 E CA 0.695 57.000 56.400 -0.159 0.000 0.809 149 E CB -0.123 29.477 29.700 -0.167 0.000 0.756 149 E HN 0.208 nan 8.360 nan 0.000 0.459 150 A N 2.204 124.824 122.820 -0.334 0.000 1.873 150 A HA -0.195 4.247 4.320 0.203 0.000 0.218 150 A C 2.517 180.001 177.584 -0.166 0.000 1.193 150 A CA 2.077 53.930 52.037 -0.307 0.000 0.629 150 A CB -0.905 17.866 19.000 -0.382 0.000 0.826 150 A HN 0.298 nan 8.150 nan 0.000 0.447 151 A N -0.485 122.235 122.820 -0.167 0.000 1.978 151 A HA 0.143 4.585 4.320 0.203 0.000 0.220 151 A C 2.473 180.001 177.584 -0.093 0.000 1.170 151 A CA 2.209 54.164 52.037 -0.137 0.000 0.636 151 A CB -0.956 17.970 19.000 -0.124 0.000 0.810 151 A HN 1.091 nan 8.150 nan 0.000 0.448 152 A N -0.852 121.924 122.820 -0.074 0.000 1.855 152 A HA -0.139 4.302 4.320 0.203 0.000 0.215 152 A C 1.950 179.512 177.584 -0.037 0.000 1.191 152 A CA 2.010 54.014 52.037 -0.054 0.000 0.613 152 A CB -1.058 17.914 19.000 -0.047 0.000 0.829 152 A HN 0.737 nan 8.150 nan 0.000 0.442 153 H N -0.227 118.770 119.070 -0.121 0.000 2.255 153 H HA -0.260 4.418 4.556 0.203 0.000 0.290 153 H C 2.251 177.509 175.328 -0.117 0.000 1.087 153 H CA 2.747 58.727 56.048 -0.114 0.000 1.213 153 H CB -0.185 29.497 29.762 -0.132 0.000 1.349 153 H HN 0.448 nan 8.280 nan 0.000 0.487 154 R N -0.255 120.240 120.500 -0.009 0.000 2.119 154 R HA -0.179 4.283 4.340 0.203 0.000 0.246 154 R C 2.070 178.326 176.300 -0.074 0.000 1.146 154 R CA 1.930 57.968 56.100 -0.104 0.000 0.962 154 R CB -0.060 30.088 30.300 -0.254 0.000 0.863 154 R HN 0.417 nan 8.270 nan 0.000 0.442 155 Q N 0.153 119.902 119.800 -0.086 0.000 2.500 155 Q HA -0.141 4.321 4.340 0.203 0.000 0.213 155 Q C 0.863 176.793 176.000 -0.116 0.000 0.974 155 Q CA 1.286 57.030 55.803 -0.098 0.000 0.918 155 Q CB 0.369 29.049 28.738 -0.096 0.000 0.980 155 Q HN 0.726 nan 8.270 nan 0.000 0.505 156 Q N -1.324 118.400 119.800 -0.127 0.000 2.139 156 Q HA 0.266 4.728 4.340 0.203 0.000 0.219 156 Q C 0.006 175.920 176.000 -0.144 0.000 0.805 156 Q CA -0.217 55.505 55.803 -0.134 0.000 1.024 156 Q CB 0.131 28.784 28.738 -0.141 0.000 1.163 156 Q HN 0.112 nan 8.270 nan 0.000 0.485 157 L N 2.151 123.301 121.223 -0.122 0.000 2.514 157 L HA 0.154 4.615 4.340 0.203 0.000 0.280 157 L C 1.055 177.908 176.870 -0.028 0.000 1.223 157 L CA 0.268 55.062 54.840 -0.076 0.000 0.864 157 L CB 0.201 42.268 42.059 0.013 0.000 1.118 157 L HN 0.294 nan 8.230 nan 0.000 0.494 158 G N 1.977 110.745 108.800 -0.054 0.000 2.664 158 G HA2 -0.078 4.004 3.960 0.203 0.000 0.242 158 G HA3 -0.078 4.004 3.960 0.203 0.000 0.242 158 G C 0.776 175.672 174.900 -0.007 0.000 1.225 158 G CA -0.201 44.865 45.100 -0.056 0.000 0.849 158 G HN 1.039 nan 8.290 nan 0.000 0.581 159 W N 0.638 121.909 121.300 -0.047 0.000 2.355 159 W HA -0.124 4.658 4.660 0.203 0.000 0.309 159 W C 1.416 177.912 176.519 -0.039 0.000 1.206 159 W CA 1.191 58.512 57.345 -0.040 0.000 1.284 159 W CB -1.222 28.177 29.460 -0.101 0.000 1.145 159 W HN 0.222 nan 8.180 nan 0.000 0.502 160 V N 2.304 121.656 119.914 -0.938 0.000 2.332 160 V HA -0.316 3.926 4.120 0.203 0.000 0.248 160 V C 2.554 178.421 176.094 -0.377 0.000 1.055 160 V CA 2.569 64.375 62.300 -0.823 0.000 1.038 160 V CB -0.890 30.322 31.823 -1.019 0.000 0.651 160 V HN 0.171 nan 8.190 nan 0.000 0.450 161 E N -0.942 119.110 120.200 -0.246 0.000 2.153 161 E HA -0.256 4.216 4.350 0.203 0.000 0.194 161 E C 1.997 178.593 176.600 -0.006 0.000 0.988 161 E CA 1.478 57.820 56.400 -0.096 0.000 0.811 161 E CB -0.214 29.446 29.700 -0.066 0.000 0.746 161 E HN 0.825 nan 8.360 nan 0.000 0.466 162 W N 1.599 122.826 121.300 -0.122 0.000 2.381 162 W HA -0.133 4.648 4.660 0.202 0.000 0.301 162 W C 1.584 178.024 176.519 -0.131 0.000 1.205 162 W CA 0.856 58.158 57.345 -0.073 0.000 1.285 162 W CB -0.284 29.136 29.460 -0.067 0.000 1.133 162 W HN 0.059 nan 8.180 nan 0.000 0.521 163 L N 0.908 122.065 121.223 -0.111 0.000 1.990 163 L HA -0.321 4.141 4.340 0.203 0.000 0.213 163 L C 2.780 179.503 176.870 -0.245 0.000 1.072 163 L CA 2.082 56.759 54.840 -0.273 0.000 0.755 163 L CB -1.073 40.727 42.059 -0.433 0.000 0.889 163 L HN 0.053 nan 8.230 nan 0.000 0.432 164 Q N -1.251 118.465 119.800 -0.140 0.000 2.133 164 Q HA -0.309 4.153 4.340 0.203 0.000 0.208 164 Q C 2.016 177.930 176.000 -0.143 0.000 0.991 164 Q CA 2.532 58.336 55.803 0.002 0.000 0.867 164 Q CB -0.392 28.369 28.738 0.038 0.000 0.911 164 Q HN 0.520 nan 8.270 nan 0.000 0.417 165 Y N -0.171 119.906 120.300 -0.372 0.000 2.163 165 Y HA -0.201 4.471 4.550 0.203 0.000 0.288 165 Y C 2.458 177.957 175.900 -0.669 0.000 1.136 165 Y CA 1.770 59.581 58.100 -0.482 0.000 1.147 165 Y CB -0.447 37.676 38.460 -0.562 0.000 0.987 165 Y HN 0.041 nan 8.280 nan 0.000 0.509 166 S N -1.064 113.792 115.700 -1.407 0.000 2.441 166 S HA 0.108 4.700 4.470 0.203 0.000 0.224 166 S C -0.055 173.757 174.600 -1.313 0.000 1.043 166 S CA 0.066 57.184 58.200 -1.803 0.000 0.948 166 S CB -0.327 61.516 63.200 -2.262 0.000 0.810 166 S HN 0.226 nan 8.310 nan 0.000 0.504 167 F N 2.643 122.366 119.950 -0.378 0.000 2.531 167 F HA 0.539 5.187 4.527 0.203 0.000 0.333 167 F C -2.815 172.982 175.800 -0.005 0.000 1.292 167 F CA -3.303 54.623 58.000 -0.122 0.000 1.184 167 F CB 0.355 39.380 39.000 0.042 0.000 1.426 167 F HN -0.016 nan 8.300 nan 0.000 0.559 168 P HA 0.040 nan 4.420 nan 0.000 0.266 168 P C 0.235 177.576 177.300 0.069 0.000 1.195 168 P CA -0.072 63.052 63.100 0.040 0.000 0.768 168 P CB 0.910 32.569 31.700 -0.067 0.000 0.838 169 L N 2.580 123.821 121.223 0.029 0.000 2.483 169 L HA 0.022 4.484 4.340 0.203 0.000 0.276 169 L C 0.974 177.805 176.870 -0.065 0.000 1.213 169 L CA 0.531 55.333 54.840 -0.064 0.000 0.843 169 L CB -0.196 41.737 42.059 -0.210 0.000 1.107 169 L HN 0.339 nan 8.230 nan 0.000 0.487 170 Q N 4.372 124.157 119.800 -0.024 0.000 2.413 170 Q HA 0.525 4.987 4.340 0.203 0.000 0.258 170 Q C -1.088 174.862 176.000 -0.084 0.000 1.037 170 Q CA -0.256 55.526 55.803 -0.034 0.000 0.764 170 Q CB 1.661 30.416 28.738 0.028 0.000 1.217 170 Q HN 0.481 nan 8.270 nan 0.000 0.490 171 L N 0.571 121.683 121.223 -0.186 0.000 2.332 171 L HA 0.500 4.962 4.340 0.203 0.000 0.269 171 L C 0.434 177.196 176.870 -0.180 0.000 1.016 171 L CA -1.219 53.447 54.840 -0.291 0.000 0.809 171 L CB 1.165 42.943 42.059 -0.468 0.000 1.280 171 L HN 0.391 nan 8.230 nan 0.000 0.447 172 E N 1.105 121.190 120.200 -0.192 0.000 2.331 172 E HA 0.300 4.772 4.350 0.203 0.000 0.272 172 E C -2.003 174.495 176.600 -0.170 0.000 1.036 172 E CA -1.375 54.940 56.400 -0.140 0.000 0.864 172 E CB 0.671 30.291 29.700 -0.132 0.000 1.035 172 E HN 0.330 nan 8.360 nan 0.000 0.408 188 R N 1.327 121.836 120.500 0.016 0.000 2.711 188 R HA 0.774 5.236 4.340 0.203 0.000 0.284 188 R C -0.790 175.519 176.300 0.015 0.000 0.968 188 R CA -0.290 55.818 56.100 0.014 0.000 0.924 188 R CB 1.553 31.859 30.300 0.010 0.000 1.162 188 R HN 0.402 nan 8.270 nan 0.000 0.465 189 A N 3.715 126.545 122.820 0.016 0.000 2.366 189 A HA 0.513 4.955 4.320 0.203 0.000 0.249 189 A C -0.292 177.304 177.584 0.020 0.000 1.084 189 A CA -0.319 51.730 52.037 0.021 0.000 0.794 189 A CB 0.278 19.292 19.000 0.022 0.000 1.034 189 A HN 0.681 nan 8.150 nan 0.000 0.491 190 L N -0.679 120.560 121.223 0.026 0.000 2.556 190 L HA 0.614 5.076 4.340 0.203 0.000 0.257 190 L C -1.333 175.559 176.870 0.037 0.000 0.955 190 L CA -0.906 53.949 54.840 0.024 0.000 0.850 190 L CB 1.421 43.489 42.059 0.014 0.000 1.398 190 L HN 0.526 nan 8.230 nan 0.000 0.412 191 L N 3.445 124.686 121.223 0.030 0.000 2.361 191 L HA 0.484 4.946 4.340 0.203 0.000 0.278 191 L C -0.473 176.412 176.870 0.024 0.000 1.113 191 L CA -0.429 54.429 54.840 0.030 0.000 0.849 191 L CB 1.251 43.320 42.059 0.017 0.000 1.155 191 L HN 0.456 nan 8.230 nan 0.000 0.452 192 V N 3.537 123.475 119.914 0.039 0.000 2.555 192 V HA 0.285 4.527 4.120 0.203 0.000 0.302 192 V C 0.073 176.136 176.094 -0.052 0.000 1.038 192 V CA -0.836 61.477 62.300 0.022 0.000 0.887 192 V CB 1.921 33.793 31.823 0.081 0.000 0.991 192 V HN 0.708 nan 8.190 nan 0.000 0.434 193 N N 2.814 121.391 118.700 -0.205 0.000 2.426 193 N HA 0.561 5.423 4.740 0.203 0.000 0.275 193 N C -1.342 174.048 175.510 -0.201 0.000 1.019 193 N CA -0.080 52.763 53.050 -0.346 0.000 0.941 193 N CB 1.773 39.736 38.487 -0.873 0.000 1.123 193 N HN 0.454 nan 8.380 nan 0.000 0.486 194 V N 3.113 122.972 119.914 -0.091 0.000 2.876 194 V HA 0.552 4.794 4.120 0.203 0.000 0.312 194 V C -0.380 175.739 176.094 0.042 0.000 1.085 194 V CA -0.739 61.569 62.300 0.013 0.000 0.945 194 V CB 2.182 34.111 31.823 0.176 0.000 1.017 194 V HN 0.770 nan 8.190 nan 0.000 0.428 195 K N 1.814 122.205 120.400 -0.016 0.000 2.571 195 K HA 0.670 5.112 4.320 0.203 0.000 0.289 195 K C -1.784 174.785 176.600 -0.052 0.000 1.028 195 K CA -0.830 55.483 56.287 0.043 0.000 0.895 195 K CB 1.823 34.305 32.500 -0.030 0.000 1.534 195 K HN 0.294 nan 8.250 nan 0.000 0.421 196 F N 0.892 120.909 119.950 0.112 0.000 2.457 196 F HA 0.291 4.939 4.527 0.203 0.000 0.330 196 F C 1.969 177.824 175.800 0.090 0.000 1.069 196 F CA -0.515 57.559 58.000 0.123 0.000 1.009 196 F CB 1.687 40.781 39.000 0.156 0.000 1.276 196 F HN 0.850 nan 8.300 nan 0.000 0.492 197 E N 1.045 121.431 120.200 0.309 0.000 2.023 197 E HA -0.135 4.337 4.350 0.203 0.000 0.196 197 E C 2.184 178.875 176.600 0.151 0.000 1.003 197 E CA 1.602 58.117 56.400 0.191 0.000 0.809 197 E CB -0.460 29.355 29.700 0.192 0.000 0.755 197 E HN 0.903 nan 8.360 nan 0.000 0.449 198 G N 0.496 109.396 108.800 0.166 0.000 2.628 198 G HA2 -0.309 3.772 3.960 0.203 0.000 0.217 198 G HA3 -0.309 3.772 3.960 0.203 0.000 0.217 198 G C 0.963 175.905 174.900 0.069 0.000 1.240 198 G CA 1.068 46.231 45.100 0.105 0.000 0.792 198 G HN 0.412 nan 8.290 nan 0.000 0.593 199 S N -0.778 114.961 115.700 0.065 0.000 2.707 199 S HA 0.379 4.970 4.470 0.203 0.000 0.276 199 S C 0.960 175.558 174.600 -0.003 0.000 1.179 199 S CA 0.109 58.311 58.200 0.003 0.000 0.992 199 S CB 1.886 65.051 63.200 -0.059 0.000 1.030 199 S HN 0.311 nan 8.310 nan 0.000 0.554 200 E N 0.198 120.371 120.200 -0.045 0.000 2.415 200 E HA 0.191 4.662 4.350 0.203 0.000 0.197 200 E C -0.252 176.275 176.600 -0.121 0.000 1.007 200 E CA 0.018 56.383 56.400 -0.059 0.000 0.890 200 E CB 0.048 29.718 29.700 -0.051 0.000 0.891 200 E HN 0.654 nan 8.360 nan 0.000 0.496 201 E N 1.239 121.337 120.200 -0.170 0.000 2.502 201 E HA 0.057 4.529 4.350 0.203 0.000 0.261 201 E C -0.437 175.874 176.600 -0.482 0.000 0.974 201 E CA 0.276 56.492 56.400 -0.308 0.000 0.936 201 E CB 0.509 30.019 29.700 -0.317 0.000 0.926 201 E HN 0.102 nan 8.360 nan 0.000 0.459 202 S N 2.020 117.334 115.700 -0.644 0.000 2.588 202 S HA 0.752 5.344 4.470 0.203 0.000 0.275 202 S C -1.186 172.877 174.600 -0.895 0.000 1.130 202 S CA -1.019 56.744 58.200 -0.729 0.000 0.855 202 S CB 0.802 63.808 63.200 -0.323 0.000 1.116 202 S HN 0.276 nan 8.310 nan 0.000 0.472 203 F N 0.220 120.013 119.950 -0.261 0.000 2.532 203 F HA 0.578 5.227 4.527 0.203 0.000 0.321 203 F C 0.262 175.692 175.800 -0.617 0.000 1.089 203 F CA -0.783 56.933 58.000 -0.473 0.000 0.926 203 F CB 2.399 40.977 39.000 -0.704 0.000 1.168 203 F HN 0.517 nan 8.300 nan 0.000 0.459 204 T N 3.643 117.982 114.554 -0.359 0.000 2.929 204 T HA 0.440 4.912 4.350 0.203 0.000 0.331 204 T C -0.570 173.970 174.700 -0.266 0.000 1.120 204 T CA -0.383 61.542 62.100 -0.292 0.000 0.973 204 T CB -0.457 68.319 68.868 -0.153 0.000 1.036 204 T HN 0.155 nan 8.240 nan 0.000 0.502 205 F N 1.696 121.665 119.950 0.031 0.000 2.382 205 F HA 0.358 5.007 4.527 0.203 0.000 0.331 205 F C 1.079 176.881 175.800 0.004 0.000 1.121 205 F CA -1.001 57.008 58.000 0.015 0.000 1.183 205 F CB 0.695 39.695 39.000 0.000 0.000 1.207 205 F HN 0.278 nan 8.300 nan 0.000 0.555 206 Q N 2.345 122.283 119.800 0.231 0.000 2.303 206 Q HA 0.583 5.044 4.340 0.203 0.000 0.257 206 Q C -1.197 174.863 176.000 0.100 0.000 0.941 206 Q CA -0.557 55.322 55.803 0.126 0.000 0.931 206 Q CB 1.519 30.308 28.738 0.085 0.000 1.215 206 Q HN 0.660 nan 8.270 nan 0.000 0.437 207 V N -0.078 119.878 119.914 0.070 0.000 3.078 207 V HA 0.584 4.826 4.120 0.203 0.000 0.311 207 V C -0.173 175.937 176.094 0.027 0.000 1.138 207 V CA -1.100 61.219 62.300 0.032 0.000 1.007 207 V CB 1.701 33.533 31.823 0.016 0.000 1.045 207 V HN 0.668 nan 8.190 nan 0.000 0.432 208 S N 0.712 116.421 115.700 0.016 0.000 2.579 208 S HA 0.223 4.815 4.470 0.203 0.000 0.275 208 S C 1.507 176.120 174.600 0.022 0.000 1.345 208 S CA 0.339 58.549 58.200 0.017 0.000 1.031 208 S CB 0.961 64.168 63.200 0.011 0.000 0.892 208 S HN 1.308 nan 8.310 nan 0.000 0.529 209 T N 1.663 116.231 114.554 0.024 0.000 3.025 209 T HA -0.106 4.366 4.350 0.203 0.000 0.270 209 T C 1.334 176.055 174.700 0.036 0.000 1.126 209 T CA 1.289 63.409 62.100 0.033 0.000 1.105 209 T CB -0.322 68.563 68.868 0.028 0.000 0.884 209 T HN 0.804 nan 8.240 nan 0.000 0.522 210 K N 0.753 121.166 120.400 0.021 0.000 2.393 210 K HA 0.107 4.548 4.320 0.203 0.000 0.193 210 K C -0.388 176.213 176.600 0.002 0.000 1.026 210 K CA -0.175 56.116 56.287 0.006 0.000 1.064 210 K CB 0.213 32.716 32.500 0.004 0.000 0.833 210 K HN 0.134 nan 8.250 nan 0.000 0.521 211 D N 2.512 122.921 120.400 0.015 0.000 2.389 211 D HA 0.051 4.812 4.640 0.203 0.000 0.247 211 D C 0.591 176.914 176.300 0.039 0.000 1.128 211 D CA 0.205 54.212 54.000 0.013 0.000 0.884 211 D CB 0.753 41.553 40.800 0.000 0.000 1.194 211 D HN 0.057 nan 8.370 nan 0.000 0.441 212 M N 2.744 122.367 119.600 0.038 0.000 2.240 212 M HA 0.043 4.644 4.480 0.203 0.000 0.317 212 M C -1.329 175.012 176.300 0.069 0.000 1.087 212 M CA -1.462 53.886 55.300 0.080 0.000 1.176 212 M CB -0.521 32.112 32.600 0.054 0.000 1.439 212 M HN 0.042 nan 8.290 nan 0.000 0.452 213 P HA -0.118 nan 4.420 nan 0.000 0.219 213 P C 1.600 178.918 177.300 0.029 0.000 1.146 213 P CA 0.838 63.952 63.100 0.023 0.000 0.808 213 P CB 0.034 31.746 31.700 0.020 0.000 0.779 214 L N -0.654 120.602 121.223 0.054 0.000 2.141 214 L HA -0.016 4.446 4.340 0.203 0.000 0.209 214 L C 2.164 179.032 176.870 -0.003 0.000 1.094 214 L CA 1.545 56.413 54.840 0.047 0.000 0.763 214 L CB -1.313 40.785 42.059 0.065 0.000 0.908 214 L HN -0.125 nan 8.230 nan 0.000 0.437 215 A N -0.624 122.185 122.820 -0.020 0.000 1.902 215 A HA -0.187 4.255 4.320 0.203 0.000 0.217 215 A C 2.325 179.836 177.584 -0.121 0.000 1.181 215 A CA 1.887 53.889 52.037 -0.059 0.000 0.623 215 A CB -0.866 18.107 19.000 -0.046 0.000 0.818 215 A HN 0.465 nan 8.150 nan 0.000 0.443 216 L N -1.089 120.067 121.223 -0.111 0.000 2.046 216 L HA -0.181 4.281 4.340 0.203 0.000 0.208 216 L C 2.717 179.462 176.870 -0.208 0.000 1.077 216 L CA 1.664 56.402 54.840 -0.170 0.000 0.747 216 L CB -0.277 41.733 42.059 -0.081 0.000 0.896 216 L HN 0.468 nan 8.230 nan 0.000 0.432 217 M N -1.152 118.374 119.600 -0.122 0.000 2.132 217 M HA -0.162 4.440 4.480 0.203 0.000 0.263 217 M C 2.410 178.628 176.300 -0.136 0.000 1.065 217 M CA 1.563 56.788 55.300 -0.126 0.000 1.122 217 M CB -0.443 32.135 32.600 -0.037 0.000 1.365 217 M HN 0.333 nan 8.290 nan 0.000 0.411 218 A N -0.110 122.645 122.820 -0.109 0.000 1.927 218 A HA -0.233 4.208 4.320 0.203 0.000 0.220 218 A C 2.286 179.760 177.584 -0.184 0.000 1.185 218 A CA 2.021 53.995 52.037 -0.105 0.000 0.639 218 A CB -1.353 17.596 19.000 -0.085 0.000 0.820 218 A HN 0.607 nan 8.150 nan 0.000 0.451 219 C N -1.522 117.573 119.300 -0.342 0.000 2.473 219 C HA 0.128 4.710 4.460 0.203 0.000 0.279 219 C C 3.301 177.978 174.990 -0.521 0.000 1.250 219 C CA 0.648 59.305 59.018 -0.601 0.000 1.713 219 C CB -1.410 25.605 27.740 -1.208 0.000 2.066 219 C HN 0.745 nan 8.230 nan 0.000 0.474 220 A N 0.826 123.393 122.820 -0.421 0.000 1.882 220 A HA -0.265 4.177 4.320 0.203 0.000 0.220 220 A C 2.074 179.695 177.584 0.061 0.000 1.253 220 A CA 2.289 54.335 52.037 0.016 0.000 0.664 220 A CB -1.022 17.940 19.000 -0.063 0.000 0.838 220 A HN 0.633 nan 8.150 nan 0.000 0.460 221 L N -1.475 119.780 121.223 0.052 0.000 2.083 221 L HA -0.192 4.269 4.340 0.203 0.000 0.209 221 L C 2.883 179.745 176.870 -0.013 0.000 1.083 221 L CA 1.413 56.300 54.840 0.078 0.000 0.752 221 L CB -0.516 41.580 42.059 0.061 0.000 0.899 221 L HN 0.387 nan 8.230 nan 0.000 0.433 222 R N -0.233 120.231 120.500 -0.060 0.000 2.096 222 R HA -0.137 4.324 4.340 0.203 0.000 0.235 222 R C 2.283 178.544 176.300 -0.065 0.000 1.127 222 R CA 0.879 56.943 56.100 -0.060 0.000 0.968 222 R CB -0.160 30.093 30.300 -0.077 0.000 0.861 222 R HN 0.194 nan 8.270 nan 0.000 0.440 223 K N 1.047 121.377 120.400 -0.117 0.000 2.076 223 K HA -0.087 4.355 4.320 0.203 0.000 0.204 223 K C 1.880 178.326 176.600 -0.257 0.000 1.051 223 K CA 1.014 57.159 56.287 -0.237 0.000 0.949 223 K CB -0.113 32.089 32.500 -0.497 0.000 0.726 223 K HN 0.063 nan 8.250 nan 0.000 0.443 224 K N 0.579 120.854 120.400 -0.208 0.000 2.032 224 K HA -0.141 4.301 4.320 0.203 0.000 0.209 224 K C 1.992 178.620 176.600 0.047 0.000 1.048 224 K CA 1.508 57.772 56.287 -0.039 0.000 0.927 224 K CB -0.144 32.246 32.500 -0.183 0.000 0.712 224 K HN 0.062 nan 8.250 nan 0.000 0.441 225 A N 0.809 123.631 122.820 0.003 0.000 1.892 225 A HA -0.236 4.206 4.320 0.203 0.000 0.218 225 A C 2.258 179.868 177.584 0.043 0.000 1.188 225 A CA 2.761 54.809 52.037 0.017 0.000 0.631 225 A CB -1.449 17.548 19.000 -0.006 0.000 0.822 225 A HN 0.699 nan 8.150 nan 0.000 0.447 226 T N -2.241 112.331 114.554 0.030 0.000 2.737 226 T HA -0.111 4.360 4.350 0.203 0.000 0.265 226 T C 1.718 176.466 174.700 0.079 0.000 1.038 226 T CA 1.728 63.854 62.100 0.044 0.000 1.144 226 T CB -0.977 67.909 68.868 0.031 0.000 0.866 226 T HN 0.142 nan 8.240 nan 0.000 0.434 227 V N 0.299 120.277 119.914 0.107 0.000 2.307 227 V HA 0.039 4.281 4.120 0.203 0.000 0.245 227 V C 2.224 178.426 176.094 0.180 0.000 1.045 227 V CA 1.146 63.525 62.300 0.131 0.000 1.024 227 V CB -0.960 30.965 31.823 0.171 0.000 0.651 227 V HN 0.369 nan 8.190 nan 0.000 0.449 228 F N 0.709 120.670 119.950 0.018 0.000 2.769 228 F HA 0.301 4.950 4.527 0.203 0.000 0.304 228 F C 1.545 177.334 175.800 -0.017 0.000 1.158 228 F CA -0.222 57.773 58.000 -0.008 0.000 1.398 228 F CB -0.585 38.392 39.000 -0.038 0.000 1.094 228 F HN 0.117 nan 8.300 nan 0.000 0.553 229 R N 0.476 121.076 120.500 0.165 0.000 3.922 229 R HA -0.270 4.192 4.340 0.203 0.000 0.447 229 R C 0.486 176.786 176.300 -0.000 0.000 1.035 229 R CA 1.141 57.278 56.100 0.062 0.000 1.289 229 R CB -1.785 28.546 30.300 0.052 0.000 1.906 229 R HN 0.707 nan 8.270 nan 0.000 0.540 236 P HA -0.119 nan 4.420 nan 0.000 0.218 236 P C 0.378 177.843 177.300 0.275 0.000 1.149 236 P CA 1.037 64.274 63.100 0.227 0.000 0.817 236 P CB 0.526 32.294 31.700 0.114 0.000 0.785 237 E N -0.183 120.145 120.200 0.213 0.000 2.333 237 E HA -0.148 4.324 4.350 0.203 0.000 0.198 237 E C 1.243 178.019 176.600 0.293 0.000 1.007 237 E CA 0.784 57.318 56.400 0.223 0.000 0.845 237 E CB -0.723 29.074 29.700 0.162 0.000 0.766 237 E HN 0.462 nan 8.360 nan 0.000 0.507 238 E N -0.626 119.668 120.200 0.157 0.000 2.445 238 E HA 0.019 4.491 4.350 0.203 0.000 0.189 238 E C -0.612 175.619 176.600 -0.615 0.000 1.069 238 E CA 0.042 56.302 56.400 -0.233 0.000 0.871 238 E CB 0.201 29.654 29.700 -0.412 0.000 0.991 238 E HN 0.261 nan 8.360 nan 0.000 0.481 239 Y N -0.125 120.177 120.300 0.004 0.000 2.499 239 Y HA 0.543 5.215 4.550 0.203 0.000 0.347 239 Y C -0.050 175.974 175.900 0.207 0.000 0.987 239 Y CA -1.029 57.082 58.100 0.019 0.000 1.044 239 Y CB 1.831 40.336 38.460 0.075 0.000 1.245 239 Y HN -0.152 nan 8.280 nan 0.000 0.461 240 A N 2.698 125.750 122.820 0.387 0.000 2.380 240 A HA 0.831 5.273 4.320 0.203 0.000 0.315 240 A C -1.632 176.172 177.584 0.366 0.000 1.101 240 A CA -0.811 51.493 52.037 0.444 0.000 0.771 240 A CB 0.959 20.271 19.000 0.520 0.000 1.287 240 A HN 0.746 nan 8.150 nan 0.000 0.436 241 L N 1.741 123.128 121.223 0.274 0.000 2.264 241 L HA 0.400 4.862 4.340 0.203 0.000 0.289 241 L C 0.470 177.280 176.870 -0.100 0.000 1.044 241 L CA -0.182 54.697 54.840 0.065 0.000 0.807 241 L CB 1.348 43.395 42.059 -0.020 0.000 1.192 241 L HN 0.836 nan 8.230 nan 0.000 0.425 242 Q N 2.287 121.884 119.800 -0.339 0.000 2.235 242 Q HA 0.386 4.848 4.340 0.203 0.000 0.250 242 Q C -0.947 174.770 176.000 -0.471 0.000 0.909 242 Q CA -0.755 54.566 55.803 -0.803 0.000 0.910 242 Q CB 1.975 30.214 28.738 -0.831 0.000 1.223 242 Q HN 0.417 nan 8.270 nan 0.000 0.432 243 V N 4.394 123.996 119.914 -0.520 0.000 2.508 243 V HA 0.048 4.289 4.120 0.203 0.000 0.281 243 V C 0.017 175.894 176.094 -0.363 0.000 1.041 243 V CA -0.534 61.463 62.300 -0.505 0.000 1.016 243 V CB 0.748 32.111 31.823 -0.767 0.000 0.984 243 V HN 0.759 nan 8.190 nan 0.000 0.478 244 N N 3.541 122.106 118.700 -0.226 0.000 2.458 244 N HA 0.274 5.136 4.740 0.203 0.000 0.258 244 N C 1.237 176.665 175.510 -0.137 0.000 1.219 244 N CA 1.099 54.071 53.050 -0.130 0.000 0.902 244 N CB 0.761 39.233 38.487 -0.024 0.000 1.076 244 N HN 1.068 nan 8.380 nan 0.000 0.455 245 G N 1.042 109.775 108.800 -0.113 0.000 2.168 245 G HA2 -0.318 3.764 3.960 0.203 0.000 0.257 245 G HA3 -0.318 3.764 3.960 0.203 0.000 0.257 245 G C -0.015 174.798 174.900 -0.146 0.000 0.997 245 G CA 0.280 45.318 45.100 -0.104 0.000 0.708 245 G HN 0.619 nan 8.290 nan 0.000 0.520 246 R N -1.380 119.008 120.500 -0.186 0.000 2.837 246 R HA 0.476 4.938 4.340 0.203 0.000 0.271 246 R C -0.977 175.234 176.300 -0.148 0.000 0.993 246 R CA -1.096 54.888 56.100 -0.193 0.000 0.931 246 R CB 0.929 31.104 30.300 -0.208 0.000 1.206 246 R HN 0.170 nan 8.270 nan 0.000 0.474 247 H N 1.551 120.518 119.070 -0.170 0.000 2.923 247 H HA 0.260 4.938 4.556 0.204 0.000 0.251 247 H C -0.638 174.570 175.328 -0.200 0.000 1.741 247 H CA 0.136 56.035 56.048 -0.249 0.000 1.387 247 H CB -0.160 29.597 29.762 -0.010 0.000 1.740 247 H HN 0.427 nan 8.280 nan 0.000 0.544 248 E N 1.651 121.748 120.200 -0.171 0.000 2.352 248 E HA 0.331 4.803 4.350 0.203 0.000 0.280 248 E C -1.509 174.965 176.600 -0.210 0.000 0.930 248 E CA -0.644 55.722 56.400 -0.055 0.000 0.765 248 E CB 1.798 31.422 29.700 -0.127 0.000 1.219 248 E HN 0.210 nan 8.360 nan 0.000 0.434 249 Y N 1.546 121.857 120.300 0.018 0.000 2.588 249 Y HA 0.543 5.215 4.550 0.203 0.000 0.343 249 Y C -0.979 174.949 175.900 0.047 0.000 1.065 249 Y CA -0.821 57.347 58.100 0.114 0.000 1.038 249 Y CB 1.629 40.324 38.460 0.392 0.000 1.297 249 Y HN 0.383 nan 8.280 nan 0.000 0.467 250 L N 3.478 124.799 121.223 0.162 0.000 2.372 250 L HA 0.560 5.022 4.340 0.203 0.000 0.274 250 L C -1.295 175.627 176.870 0.088 0.000 0.988 250 L CA -0.757 53.938 54.840 -0.241 0.000 0.833 250 L CB 0.849 42.580 42.059 -0.546 0.000 1.236 250 L HN 0.626 nan 8.230 nan 0.000 0.410 251 Y N 1.386 121.777 120.300 0.152 0.000 2.779 251 Y HA 0.849 5.520 4.550 0.203 0.000 0.340 251 Y C 0.061 176.243 175.900 0.470 0.000 1.252 251 Y CA -1.070 57.191 58.100 0.268 0.000 1.072 251 Y CB 0.762 39.371 38.460 0.249 0.000 1.343 251 Y HN 0.880 nan 8.280 nan 0.000 0.450 252 G N 1.206 110.328 108.800 0.536 0.000 2.661 252 G HA2 -0.109 3.973 3.960 0.203 0.000 0.685 252 G HA3 -0.109 3.973 3.960 0.203 0.000 0.685 252 G C -1.480 173.507 174.900 0.145 0.000 1.298 252 G CA -0.532 44.786 45.100 0.363 0.000 0.855 252 G HN 1.136 nan 8.290 nan 0.000 0.560 253 N N 0.600 119.137 118.700 -0.272 0.000 3.188 253 N HA 0.522 5.383 4.740 0.203 0.000 0.279 253 N C -1.282 173.910 175.510 -0.530 0.000 1.213 253 N CA -0.084 52.778 53.050 -0.314 0.000 1.138 253 N CB -0.601 37.702 38.487 -0.306 0.000 1.417 253 N HN 0.478 nan 8.380 nan 0.000 0.526 254 Y N 0.636 120.986 120.300 0.084 0.000 2.479 254 Y HA 0.410 5.082 4.550 0.203 0.000 0.338 254 Y C -2.175 173.744 175.900 0.032 0.000 1.055 254 Y CA -2.165 55.915 58.100 -0.034 0.000 1.023 254 Y CB 1.962 40.295 38.460 -0.211 0.000 1.287 254 Y HN 0.234 nan 8.280 nan 0.000 0.447 255 P HA 0.143 nan 4.420 nan 0.000 0.272 255 P C 0.626 178.026 177.300 0.166 0.000 1.223 255 P CA -0.094 62.983 63.100 -0.038 0.000 0.784 255 P CB 1.328 32.869 31.700 -0.266 0.000 0.923 256 L N 2.071 123.430 121.223 0.227 0.000 2.131 256 L HA -0.168 4.293 4.340 0.203 0.000 0.210 256 L C 2.433 179.502 176.870 0.331 0.000 1.092 256 L CA 1.796 56.841 54.840 0.341 0.000 0.759 256 L CB -0.876 41.271 42.059 0.147 0.000 0.903 256 L HN 0.511 nan 8.230 nan 0.000 0.435 257 C N -3.138 116.284 119.300 0.203 0.000 2.576 257 C HA 0.024 4.605 4.460 0.203 0.000 0.267 257 C C 2.131 177.261 174.990 0.234 0.000 1.364 257 C CA -0.455 58.668 59.018 0.175 0.000 1.723 257 C CB -1.798 26.007 27.740 0.108 0.000 1.778 257 C HN 0.457 nan 8.230 nan 0.000 0.572 258 H N -0.929 118.158 119.070 0.028 0.000 2.502 258 H HA 0.133 4.811 4.556 0.203 0.000 0.283 258 H C -0.001 175.177 175.328 -0.249 0.000 1.015 258 H CA 0.346 56.310 56.048 -0.140 0.000 1.298 258 H CB -0.028 29.592 29.762 -0.236 0.000 1.411 258 H HN 0.460 nan 8.280 nan 0.000 0.556 259 F N 2.080 122.085 119.950 0.091 0.000 2.471 259 F HA -0.002 4.646 4.527 0.203 0.000 0.365 259 F C 1.561 177.392 175.800 0.052 0.000 1.095 259 F CA -0.072 57.949 58.000 0.035 0.000 1.174 259 F CB 0.845 39.881 39.000 0.060 0.000 1.105 259 F HN 0.033 nan 8.300 nan 0.000 0.535 260 Q N 2.199 122.092 119.800 0.154 0.000 2.156 260 Q HA -0.319 4.143 4.340 0.203 0.000 0.211 260 Q C 1.742 177.854 176.000 0.187 0.000 0.995 260 Q CA 2.338 58.220 55.803 0.132 0.000 0.877 260 Q CB -0.389 28.411 28.738 0.103 0.000 0.920 260 Q HN 0.845 nan 8.270 nan 0.000 0.416 261 Y N 0.682 121.053 120.300 0.119 0.000 2.114 261 Y HA -0.249 4.423 4.550 0.203 0.000 0.284 261 Y C 1.923 177.880 175.900 0.096 0.000 1.143 261 Y CA 1.321 59.476 58.100 0.092 0.000 1.135 261 Y CB -0.164 38.335 38.460 0.064 0.000 0.980 261 Y HN 0.058 nan 8.280 nan 0.000 0.499 262 I N -0.532 120.071 120.570 0.056 0.000 2.179 262 I HA -0.343 3.949 4.170 0.203 0.000 0.242 262 I C 2.929 179.008 176.117 -0.064 0.000 1.088 262 I CA 1.380 62.643 61.300 -0.062 0.000 1.357 262 I CB -1.811 36.249 38.000 0.100 0.000 1.051 262 I HN 0.468 nan 8.210 nan 0.000 0.409 263 C N 0.316 119.632 119.300 0.026 0.000 2.388 263 C HA -0.245 4.337 4.460 0.203 0.000 0.277 263 C C 3.467 178.457 174.990 -0.000 0.000 1.210 263 C CA 2.014 61.037 59.018 0.007 0.000 1.743 263 C CB -0.980 26.788 27.740 0.047 0.000 2.047 263 C HN 0.635 nan 8.230 nan 0.000 0.458 264 S N -0.896 114.823 115.700 0.032 0.000 2.380 264 S HA -0.257 4.335 4.470 0.203 0.000 0.229 264 S C 1.905 176.505 174.600 0.000 0.000 1.043 264 S CA 2.371 60.604 58.200 0.056 0.000 1.038 264 S CB -0.827 62.409 63.200 0.059 0.000 0.872 264 S HN 0.794 nan 8.310 nan 0.000 0.456 265 C N 0.779 119.992 119.300 -0.146 0.000 2.425 265 C HA 0.065 4.647 4.460 0.203 0.000 0.277 265 C C 2.570 177.524 174.990 -0.061 0.000 1.280 265 C CA 0.808 59.727 59.018 -0.164 0.000 1.744 265 C CB -1.585 25.956 27.740 -0.331 0.000 1.989 265 C HN 0.621 nan 8.230 nan 0.000 0.491 266 L N -0.786 120.401 121.223 -0.059 0.000 2.027 266 L HA -0.144 4.318 4.340 0.203 0.000 0.206 266 L C 2.761 179.632 176.870 0.002 0.000 1.074 266 L CA 1.342 56.153 54.840 -0.049 0.000 0.745 266 L CB -0.948 41.052 42.059 -0.099 0.000 0.898 266 L HN 0.400 nan 8.230 nan 0.000 0.433 267 H N 0.059 119.128 119.070 -0.002 0.000 2.387 267 H HA -0.114 4.563 4.556 0.203 0.000 0.299 267 H C 2.392 177.727 175.328 0.012 0.000 1.099 267 H CA 1.695 57.751 56.048 0.012 0.000 1.315 267 H CB -0.040 29.736 29.762 0.022 0.000 1.380 267 H HN 0.376 nan 8.280 nan 0.000 0.513 268 S N -1.466 114.315 115.700 0.135 0.000 2.577 268 S HA 0.253 4.845 4.470 0.203 0.000 0.219 268 S C 1.776 176.399 174.600 0.038 0.000 0.962 268 S CA 0.590 58.832 58.200 0.069 0.000 0.921 268 S CB 0.490 63.719 63.200 0.049 0.000 0.789 268 S HN 0.616 nan 8.310 nan 0.000 0.497 269 G N 1.159 109.981 108.800 0.036 0.000 2.458 269 G HA2 -0.298 3.784 3.960 0.203 0.000 0.237 269 G HA3 -0.298 3.784 3.960 0.203 0.000 0.237 269 G C 0.056 174.962 174.900 0.011 0.000 1.113 269 G CA 0.218 45.331 45.100 0.020 0.000 0.655 269 G HN 0.536 nan 8.290 nan 0.000 0.513 270 L N 1.905 123.132 121.223 0.007 0.000 2.554 270 L HA 0.298 4.760 4.340 0.203 0.000 0.293 270 L C 1.189 178.070 176.870 0.017 0.000 1.252 270 L CA 1.166 56.013 54.840 0.012 0.000 0.862 270 L CB 0.377 42.438 42.059 0.005 0.000 1.113 270 L HN 0.199 nan 8.230 nan 0.000 0.510 271 T N 5.395 119.996 114.554 0.078 0.000 2.727 271 T HA 0.199 4.671 4.350 0.203 0.000 0.295 271 T C -2.241 172.587 174.700 0.213 0.000 0.915 271 T CA -0.985 61.186 62.100 0.119 0.000 1.066 271 T CB 0.344 69.305 68.868 0.154 0.000 0.891 271 T HN 0.355 nan 8.240 nan 0.000 0.516 272 P HA -0.032 nan 4.420 nan 0.000 0.264 272 P C -0.501 176.958 177.300 0.266 0.000 1.179 272 P CA 0.245 63.439 63.100 0.157 0.000 0.763 272 P CB 0.437 32.173 31.700 0.059 0.000 0.806 273 H N 2.594 121.805 119.070 0.236 0.000 2.800 273 H HA 0.435 5.114 4.556 0.204 0.000 0.322 273 H C -0.251 175.104 175.328 0.045 0.000 0.979 273 H CA -0.582 55.528 56.048 0.103 0.000 1.277 273 H CB 1.125 30.930 29.762 0.072 0.000 1.484 273 H HN 0.278 nan 8.280 nan 0.000 0.512 274 L N 2.110 123.358 121.223 0.041 0.000 2.350 274 L HA 0.481 4.943 4.340 0.203 0.000 0.260 274 L C -0.093 176.735 176.870 -0.069 0.000 1.015 274 L CA -0.824 53.996 54.840 -0.033 0.000 0.821 274 L CB 2.573 44.615 42.059 -0.029 0.000 1.370 274 L HN 0.449 nan 8.230 nan 0.000 0.416 275 T N 1.966 116.456 114.554 -0.106 0.000 2.824 275 T HA 0.448 4.919 4.350 0.203 0.000 0.282 275 T C -0.112 174.520 174.700 -0.113 0.000 0.993 275 T CA -0.612 61.427 62.100 -0.102 0.000 0.967 275 T CB 1.593 70.428 68.868 -0.055 0.000 0.960 275 T HN 0.303 nan 8.240 nan 0.000 0.441 276 M N 3.732 123.185 119.600 -0.245 0.000 2.292 276 M HA 0.220 4.822 4.480 0.203 0.000 0.342 276 M C -0.642 175.754 176.300 0.160 0.000 1.538 276 M CA -0.055 55.099 55.300 -0.243 0.000 1.163 276 M CB -0.067 31.897 32.600 -1.061 0.000 1.823 276 M HN 0.307 nan 8.290 nan 0.000 0.462 277 V N 4.100 124.217 119.914 0.337 0.000 2.384 277 V HA 0.226 4.468 4.120 0.203 0.000 0.287 277 V C -0.138 176.115 176.094 0.266 0.000 1.020 277 V CA -0.825 61.678 62.300 0.338 0.000 0.850 277 V CB 1.429 33.435 31.823 0.306 0.000 0.987 277 V HN 0.748 nan 8.190 nan 0.000 0.436 278 H N 3.022 122.088 119.070 -0.007 0.000 2.562 278 H HA 0.213 4.891 4.556 0.203 0.000 0.352 278 H C 1.540 176.541 175.328 -0.545 0.000 1.125 278 H CA 0.533 56.255 56.048 -0.543 0.000 1.379 278 H CB 1.584 31.091 29.762 -0.425 0.000 1.464 278 H HN 0.758 nan 8.280 nan 0.000 0.563 279 S N 1.820 116.681 115.700 -1.398 0.000 2.389 279 S HA -0.319 4.272 4.470 0.203 0.000 0.231 279 S C 2.259 176.431 174.600 -0.714 0.000 1.052 279 S CA 1.565 58.866 58.200 -1.500 0.000 1.053 279 S CB -0.900 61.052 63.200 -2.080 0.000 0.886 279 S HN 0.749 nan 8.310 nan 0.000 0.456 280 S N 1.778 117.314 115.700 -0.274 0.000 2.419 280 S HA -0.119 4.473 4.470 0.203 0.000 0.233 280 S C 1.960 176.500 174.600 -0.100 0.000 1.016 280 S CA 1.290 59.430 58.200 -0.099 0.000 0.974 280 S CB -0.775 62.446 63.200 0.036 0.000 0.786 280 S HN 0.658 nan 8.310 nan 0.000 0.492 281 S N 1.343 116.999 115.700 -0.073 0.000 2.388 281 S HA 0.131 4.722 4.470 0.203 0.000 0.223 281 S C 1.807 176.377 174.600 -0.049 0.000 1.034 281 S CA 0.560 58.743 58.200 -0.028 0.000 0.963 281 S CB -0.598 62.629 63.200 0.045 0.000 0.827 281 S HN 0.565 nan 8.310 nan 0.000 0.481 282 I N 1.433 121.948 120.570 -0.091 0.000 2.252 282 I HA -0.111 4.181 4.170 0.203 0.000 0.245 282 I C 2.363 178.385 176.117 -0.158 0.000 1.102 282 I CA 1.008 62.286 61.300 -0.037 0.000 1.385 282 I CB -0.317 37.705 38.000 0.035 0.000 1.064 282 I HN 0.299 nan 8.210 nan 0.000 0.414 283 L N 0.439 121.547 121.223 -0.191 0.000 2.079 283 L HA -0.247 4.215 4.340 0.203 0.000 0.210 283 L C 2.842 179.552 176.870 -0.268 0.000 1.081 283 L CA 1.358 56.055 54.840 -0.238 0.000 0.752 283 L CB -0.686 41.271 42.059 -0.171 0.000 0.896 283 L HN 0.283 nan 8.230 nan 0.000 0.433 284 A N -0.269 122.440 122.820 -0.184 0.000 1.940 284 A HA -0.269 4.172 4.320 0.203 0.000 0.219 284 A C 2.275 179.746 177.584 -0.188 0.000 1.176 284 A CA 1.906 53.853 52.037 -0.151 0.000 0.631 284 A CB -0.442 18.508 19.000 -0.084 0.000 0.814 284 A HN 0.357 nan 8.150 nan 0.000 0.446 285 M N -1.461 118.019 119.600 -0.200 0.000 2.067 285 M HA -0.163 4.439 4.480 0.203 0.000 0.260 285 M C 2.434 178.407 176.300 -0.545 0.000 1.069 285 M CA 2.028 57.194 55.300 -0.223 0.000 1.117 285 M CB -0.387 32.190 32.600 -0.039 0.000 1.334 285 M HN 0.510 nan 8.290 nan 0.000 0.407 286 R N 0.667 120.539 120.500 -1.047 0.000 2.119 286 R HA -0.220 4.242 4.340 0.203 0.000 0.246 286 R C 1.404 177.224 176.300 -0.799 0.000 1.146 286 R CA 2.319 57.435 56.100 -1.640 0.000 0.962 286 R CB -0.368 29.029 30.300 -1.504 0.000 0.863 286 R HN 0.335 nan 8.270 nan 0.000 0.442 287 D N 0.526 120.635 120.400 -0.484 0.000 2.117 287 D HA -0.177 4.585 4.640 0.203 0.000 0.197 287 D C 1.725 177.898 176.300 -0.211 0.000 0.987 287 D CA 1.755 55.582 54.000 -0.287 0.000 0.829 287 D CB -0.316 40.364 40.800 -0.200 0.000 0.961 287 D HN 0.584 nan 8.370 nan 0.000 0.460 288 E N 0.598 120.684 120.200 -0.190 0.000 2.333 288 E HA -0.169 4.303 4.350 0.203 0.000 0.198 288 E C 1.114 177.692 176.600 -0.038 0.000 1.007 288 E CA 0.632 56.984 56.400 -0.081 0.000 0.845 288 E CB -0.383 29.303 29.700 -0.024 0.000 0.766 288 E HN 0.435 nan 8.360 nan 0.000 0.507 289 Q N 1.521 121.227 119.800 -0.157 0.000 2.280 289 Q HA 0.085 4.546 4.340 0.203 0.000 0.201 289 Q C 0.358 176.355 176.000 -0.005 0.000 0.890 289 Q CA 0.036 55.776 55.803 -0.106 0.000 0.947 289 Q CB 0.654 29.250 28.738 -0.237 0.000 1.081 289 Q HN 0.205 nan 8.270 nan 0.000 0.502 290 S N 0.537 116.210 115.700 -0.045 0.000 2.566 290 S HA 0.081 4.673 4.470 0.203 0.000 0.280 290 S C 0.228 174.827 174.600 -0.001 0.000 1.343 290 S CA -0.356 57.821 58.200 -0.038 0.000 1.036 290 S CB 1.078 64.243 63.200 -0.058 0.000 0.866 290 S HN 0.201 nan 8.310 nan 0.000 0.526 317 W N 0.609 121.800 121.300 -0.182 0.000 2.468 317 W HA 0.043 4.825 4.660 0.203 0.000 0.262 317 W C 1.312 177.761 176.519 -0.117 0.000 1.241 317 W CA 1.224 58.428 57.345 -0.236 0.000 1.232 317 W CB -1.820 27.505 29.460 -0.224 0.000 1.124 317 W HN 0.473 nan 8.180 nan 0.000 0.597 318 S N 1.446 116.966 115.700 -0.299 0.000 2.474 318 S HA -0.020 4.572 4.470 0.203 0.000 0.235 318 S C 1.067 175.500 174.600 -0.280 0.000 0.997 318 S CA 0.673 58.580 58.200 -0.488 0.000 0.949 318 S CB -0.450 62.622 63.200 -0.213 0.000 0.766 318 S HN 0.242 nan 8.310 nan 0.000 0.517 319 L N 1.596 122.734 121.223 -0.142 0.000 2.272 319 L HA 0.456 4.918 4.340 0.203 0.000 0.284 319 L C 0.478 177.328 176.870 -0.033 0.000 1.045 319 L CA -0.185 54.617 54.840 -0.063 0.000 0.842 319 L CB 0.575 42.633 42.059 -0.003 0.000 1.224 319 L HN -0.012 nan 8.230 nan 0.000 0.430 320 E N 1.152 121.326 120.200 -0.044 0.000 2.498 320 E HA 0.008 4.479 4.350 0.203 0.000 0.203 320 E C 0.232 176.848 176.600 0.026 0.000 1.013 320 E CA -0.258 56.138 56.400 -0.006 0.000 0.927 320 E CB 0.576 30.252 29.700 -0.039 0.000 1.012 320 E HN 0.640 nan 8.360 nan 0.000 0.482 321 Q N 1.673 121.488 119.800 0.026 0.000 2.421 321 Q HA 0.171 4.633 4.340 0.203 0.000 0.255 321 Q C -2.597 173.450 176.000 0.077 0.000 1.013 321 Q CA -2.030 53.795 55.803 0.037 0.000 0.895 321 Q CB -0.080 28.672 28.738 0.023 0.000 1.271 321 Q HN -0.204 nan 8.270 nan 0.000 0.460 322 P HA 0.102 nan 4.420 nan 0.000 0.276 322 P C -0.666 176.738 177.300 0.173 0.000 1.235 322 P CA -0.376 62.801 63.100 0.128 0.000 0.772 322 P CB 0.070 31.825 31.700 0.092 0.000 0.871 323 F N 3.576 123.594 119.950 0.113 0.000 2.595 323 F HA 0.272 4.921 4.527 0.203 0.000 0.359 323 F C 0.279 176.213 175.800 0.223 0.000 1.147 323 F CA 1.090 59.164 58.000 0.122 0.000 1.341 323 F CB 0.407 39.449 39.000 0.070 0.000 1.104 323 F HN 0.448 nan 8.300 nan 0.000 0.603 324 S N 6.226 121.331 115.700 -0.991 0.000 2.570 324 S HA 0.803 5.395 4.470 0.203 0.000 0.270 324 S C -0.939 173.240 174.600 -0.702 0.000 1.149 324 S CA -0.840 57.020 58.200 -0.567 0.000 0.837 324 S CB 1.613 64.692 63.200 -0.201 0.000 1.124 324 S HN 0.933 nan 8.310 nan 0.000 0.465 325 I N -1.778 118.667 120.570 -0.208 0.000 2.969 325 I HA 0.690 4.982 4.170 0.203 0.000 0.307 325 I C -0.801 175.343 176.117 0.045 0.000 1.149 325 I CA -0.903 60.380 61.300 -0.030 0.000 1.008 325 I CB 2.140 40.246 38.000 0.177 0.000 1.232 325 I HN 0.829 nan 8.210 nan 0.000 0.435 326 E N 3.037 123.293 120.200 0.094 0.000 2.134 326 E HA 0.365 4.837 4.350 0.203 0.000 0.278 326 E C -1.380 175.271 176.600 0.086 0.000 0.959 326 E CA -0.917 55.530 56.400 0.078 0.000 0.783 326 E CB 1.784 31.517 29.700 0.056 0.000 1.095 326 E HN 0.576 nan 8.360 nan 0.000 0.399 327 L N 6.277 127.525 121.223 0.042 0.000 2.325 327 L HA 0.228 4.689 4.340 0.203 0.000 0.284 327 L C -0.022 176.908 176.870 0.100 0.000 1.089 327 L CA 0.572 55.405 54.840 -0.012 0.000 0.836 327 L CB 0.401 42.361 42.059 -0.164 0.000 1.184 327 L HN 0.777 nan 8.230 nan 0.000 0.444 328 I N 3.496 124.127 120.570 0.102 0.000 2.368 328 I HA 0.104 4.396 4.170 0.203 0.000 0.238 328 I C 0.672 176.916 176.117 0.211 0.000 1.076 328 I CA 0.930 62.309 61.300 0.131 0.000 1.397 328 I CB 0.087 38.137 38.000 0.083 0.000 1.141 328 I HN 0.842 nan 8.210 nan 0.000 0.430 329 E N -1.250 119.078 120.200 0.212 0.000 2.388 329 E HA 0.584 5.055 4.350 0.203 0.000 0.269 329 E C -0.840 175.872 176.600 0.187 0.000 1.172 329 E CA -0.997 55.536 56.400 0.222 0.000 0.887 329 E CB 0.830 30.553 29.700 0.038 0.000 1.544 329 E HN 0.039 nan 8.360 nan 0.000 0.451 330 G N -0.507 108.350 108.800 0.096 0.000 2.708 330 G HA2 0.688 4.769 3.960 0.203 0.000 0.289 330 G HA3 0.688 4.769 3.960 0.203 0.000 0.289 330 G C -1.500 173.387 174.900 -0.023 0.000 1.416 330 G CA -1.157 43.973 45.100 0.050 0.000 0.829 330 G HN 0.535 nan 8.290 nan 0.000 0.480 331 R N 0.438 120.919 120.500 -0.033 0.000 2.984 331 R HA 0.468 4.930 4.340 0.203 0.000 0.252 331 R C -0.931 175.357 176.300 -0.021 0.000 1.842 331 R CA -0.951 55.129 56.100 -0.033 0.000 1.389 331 R CB 1.032 31.310 30.300 -0.036 0.000 1.454 331 R HN 0.516 nan 8.270 nan 0.000 0.578 332 K N -0.734 119.658 120.400 -0.013 0.000 2.305 332 K HA 0.613 5.055 4.320 0.203 0.000 0.268 332 K C -1.179 175.424 176.600 0.005 0.000 1.034 332 K CA -1.051 55.236 56.287 -0.001 0.000 0.879 332 K CB 0.987 33.494 32.500 0.012 0.000 1.506 332 K HN 0.008 nan 8.250 nan 0.000 0.425 333 V N 0.720 120.644 119.914 0.017 0.000 2.524 333 V HA 0.560 4.802 4.120 0.203 0.000 0.297 333 V C -1.215 174.899 176.094 0.033 0.000 1.035 333 V CA -0.256 62.056 62.300 0.020 0.000 0.867 333 V CB 1.087 32.921 31.823 0.018 0.000 1.004 333 V HN 0.855 nan 8.190 nan 0.000 0.426 334 N N 2.890 121.609 118.700 0.031 0.000 3.522 334 N HA 0.887 5.749 4.740 0.203 0.000 0.328 334 N C -0.822 174.708 175.510 0.033 0.000 1.623 334 N CA 0.220 53.295 53.050 0.041 0.000 0.812 334 N CB 1.799 40.319 38.487 0.056 0.000 2.008 334 N HN 0.738 nan 8.380 nan 0.000 0.601 340 K N 1.724 122.168 120.400 0.073 0.000 2.281 340 K HA 0.873 5.314 4.320 0.203 0.000 0.242 340 K C -1.193 175.479 176.600 0.120 0.000 0.971 340 K CA -0.448 55.888 56.287 0.081 0.000 0.834 340 K CB 2.036 34.587 32.500 0.084 0.000 1.181 340 K HN 0.480 nan 8.250 nan 0.000 0.435 341 L N 0.930 122.231 121.223 0.130 0.000 2.352 341 L HA 0.685 5.147 4.340 0.203 0.000 0.269 341 L C -0.762 176.244 176.870 0.226 0.000 1.034 341 L CA -0.996 53.952 54.840 0.180 0.000 0.806 341 L CB 1.587 43.760 42.059 0.190 0.000 1.244 341 L HN 0.227 nan 8.230 nan 0.000 0.447 342 V N 1.401 121.373 119.914 0.097 0.000 2.971 342 V HA 0.469 4.711 4.120 0.203 0.000 0.309 342 V C -0.717 175.101 176.094 -0.459 0.000 1.130 342 V CA -0.734 61.535 62.300 -0.051 0.000 0.964 342 V CB 2.532 34.396 31.823 0.068 0.000 1.029 342 V HN 0.365 nan 8.190 nan 0.000 0.427 343 V N 2.838 122.477 119.914 -0.458 0.000 2.459 343 V HA 0.483 4.725 4.120 0.203 0.000 0.295 343 V C -0.255 175.687 176.094 -0.253 0.000 1.029 343 V CA -0.420 61.591 62.300 -0.482 0.000 0.874 343 V CB 1.572 33.028 31.823 -0.613 0.000 0.985 343 V HN 0.916 nan 8.190 nan 0.000 0.438 344 Q N 2.709 122.443 119.800 -0.110 0.000 2.322 344 Q HA 0.755 5.217 4.340 0.203 0.000 0.265 344 Q C -0.740 175.386 176.000 0.210 0.000 0.985 344 Q CA -0.525 55.359 55.803 0.134 0.000 0.849 344 Q CB 1.940 30.884 28.738 0.344 0.000 1.274 344 Q HN 0.914 nan 8.270 nan 0.000 0.449 345 A N 2.310 125.256 122.820 0.211 0.000 2.365 345 A HA 0.936 5.378 4.320 0.203 0.000 0.318 345 A C -0.613 177.157 177.584 0.311 0.000 1.091 345 A CA -0.240 51.911 52.037 0.189 0.000 0.763 345 A CB 1.800 20.973 19.000 0.289 0.000 1.248 345 A HN 0.741 nan 8.150 nan 0.000 0.442 346 G N 0.201 109.134 108.800 0.222 0.000 2.696 346 G HA2 0.571 4.652 3.960 0.203 0.000 0.295 346 G HA3 0.571 4.652 3.960 0.203 0.000 0.295 346 G C -1.481 173.401 174.900 -0.029 0.000 1.398 346 G CA -0.591 44.628 45.100 0.199 0.000 0.920 346 G HN 0.663 nan 8.290 nan 0.000 0.492 347 L N 1.077 122.151 121.223 -0.248 0.000 2.287 347 L HA 0.555 5.016 4.340 0.203 0.000 0.287 347 L C -0.901 175.766 176.870 -0.339 0.000 1.022 347 L CA -0.575 54.087 54.840 -0.296 0.000 0.814 347 L CB 1.260 43.073 42.059 -0.410 0.000 1.217 347 L HN 0.367 nan 8.230 nan 0.000 0.420 348 F N 0.765 120.652 119.950 -0.104 0.000 2.507 348 F HA 0.383 5.032 4.527 0.203 0.000 0.327 348 F C 0.065 175.831 175.800 -0.056 0.000 1.068 348 F CA -0.634 57.323 58.000 -0.071 0.000 0.965 348 F CB 1.574 40.532 39.000 -0.070 0.000 1.192 348 F HN 0.395 nan 8.300 nan 0.000 0.476 349 H N 1.127 120.177 119.070 -0.033 0.000 2.953 349 H HA 0.517 5.194 4.556 0.203 0.000 0.290 349 H C 0.226 175.321 175.328 -0.387 0.000 1.113 349 H CA 0.261 56.189 56.048 -0.199 0.000 1.454 349 H CB 0.357 29.998 29.762 -0.202 0.000 1.525 349 H HN 0.807 nan 8.280 nan 0.000 0.505 350 G N 4.092 112.435 108.800 -0.761 0.000 2.523 350 G HA2 -0.403 3.679 3.960 0.203 0.000 0.271 350 G HA3 -0.403 3.679 3.960 0.203 0.000 0.271 350 G C 0.700 175.246 174.900 -0.591 0.000 1.146 350 G CA 0.372 44.763 45.100 -1.181 0.000 0.961 350 G HN 0.566 nan 8.290 nan 0.000 0.549 351 N N 1.455 119.912 118.700 -0.405 0.000 2.305 351 N HA 0.097 4.959 4.740 0.203 0.000 0.179 351 N C 0.724 176.313 175.510 0.131 0.000 1.019 351 N CA 1.080 54.080 53.050 -0.084 0.000 0.869 351 N CB -0.202 38.210 38.487 -0.124 0.000 1.000 351 N HN 0.577 nan 8.380 nan 0.000 0.431 352 E N 1.275 121.474 120.200 -0.002 0.000 2.415 352 E HA 0.082 4.554 4.350 0.203 0.000 0.263 352 E C 0.138 176.724 176.600 -0.024 0.000 0.995 352 E CA 0.194 56.600 56.400 0.010 0.000 0.915 352 E CB 0.397 30.076 29.700 -0.034 0.000 0.951 352 E HN 0.203 nan 8.360 nan 0.000 0.449 353 M N 3.103 122.590 119.600 -0.188 0.000 2.241 353 M HA 0.120 4.722 4.480 0.203 0.000 0.335 353 M C 0.616 176.780 176.300 -0.227 0.000 1.122 353 M CA -0.035 54.981 55.300 -0.473 0.000 1.164 353 M CB 0.488 32.759 32.600 -0.549 0.000 1.459 353 M HN 0.408 nan 8.290 nan 0.000 0.461 354 L N 1.721 122.814 121.223 -0.217 0.000 2.611 354 L HA 0.188 4.650 4.340 0.203 0.000 0.229 354 L C 0.074 176.908 176.870 -0.061 0.000 1.137 354 L CA -0.284 54.498 54.840 -0.098 0.000 0.901 354 L CB -0.651 41.364 42.059 -0.073 0.000 1.098 354 L HN 1.041 nan 8.230 nan 0.000 0.456 355 C N -4.145 115.105 119.300 -0.083 0.000 3.059 355 C HA 0.146 4.728 4.460 0.203 0.000 0.292 355 C C -0.933 174.033 174.990 -0.039 0.000 1.299 355 C CA -1.851 57.151 59.018 -0.026 0.000 1.171 355 C CB 0.513 28.280 27.740 0.045 0.000 1.397 355 C HN 0.252 nan 8.230 nan 0.000 0.416 356 K N 0.563 120.961 120.400 -0.004 0.000 2.138 356 K HA 0.545 4.987 4.320 0.203 0.000 0.251 356 K C 0.100 176.709 176.600 0.014 0.000 1.015 356 K CA 0.658 56.937 56.287 -0.013 0.000 0.917 356 K CB 0.292 32.783 32.500 -0.015 0.000 1.021 356 K HN 1.027 nan 8.250 nan 0.000 0.485 357 T N -1.923 112.639 114.554 0.014 0.000 3.629 357 T HA 0.186 4.658 4.350 0.203 0.000 0.317 357 T C 0.430 175.134 174.700 0.007 0.000 1.690 357 T CA -0.947 61.191 62.100 0.064 0.000 1.276 357 T CB -0.979 67.951 68.868 0.102 0.000 1.205 357 T HN 0.442 nan 8.240 nan 0.000 0.824 358 V N 1.176 121.006 119.914 -0.141 0.000 2.539 358 V HA 0.138 4.380 4.120 0.203 0.000 0.294 358 V C 0.729 176.742 176.094 -0.134 0.000 0.994 358 V CA -0.423 61.740 62.300 -0.227 0.000 1.169 358 V CB -1.342 30.197 31.823 -0.474 0.000 0.898 358 V HN 0.678 nan 8.190 nan 0.000 0.471 359 S N 3.466 119.138 115.700 -0.046 0.000 2.598 359 S HA 0.481 5.072 4.470 0.203 0.000 0.267 359 S C 0.587 175.151 174.600 -0.060 0.000 1.189 359 S CA -0.345 57.853 58.200 -0.003 0.000 1.010 359 S CB 1.127 64.371 63.200 0.073 0.000 1.084 359 S HN 0.929 nan 8.310 nan 0.000 0.541 360 S N 0.449 116.106 115.700 -0.072 0.000 2.758 360 S HA 0.561 5.153 4.470 0.203 0.000 0.292 360 S C -0.232 174.381 174.600 0.022 0.000 1.131 360 S CA -0.817 57.316 58.200 -0.111 0.000 0.997 360 S CB 1.029 64.050 63.200 -0.298 0.000 1.111 360 S HN 0.751 nan 8.310 nan 0.000 0.552 361 S N 0.656 116.415 115.700 0.098 0.000 2.601 361 S HA 0.377 4.969 4.470 0.203 0.000 0.271 361 S C -0.315 174.421 174.600 0.228 0.000 1.305 361 S CA -0.791 57.500 58.200 0.153 0.000 1.022 361 S CB 0.459 63.752 63.200 0.155 0.000 0.940 361 S HN 0.669 nan 8.310 nan 0.000 0.525 362 E N 0.547 120.846 120.200 0.165 0.000 2.344 362 E HA 0.398 4.870 4.350 0.203 0.000 0.270 362 E C -0.963 175.718 176.600 0.135 0.000 1.021 362 E CA -0.144 56.351 56.400 0.159 0.000 0.887 362 E CB 0.793 30.561 29.700 0.113 0.000 0.997 362 E HN 0.420 nan 8.360 nan 0.000 0.429 363 V N 3.775 123.763 119.914 0.124 0.000 3.049 363 V HA 0.157 4.398 4.120 0.203 0.000 0.309 363 V C -0.178 175.912 176.094 -0.006 0.000 1.148 363 V CA -1.241 61.065 62.300 0.009 0.000 0.990 363 V CB 2.301 34.038 31.823 -0.142 0.000 1.039 363 V HN 0.668 nan 8.190 nan 0.000 0.430 364 N N 1.070 119.743 118.700 -0.044 0.000 2.374 364 N HA 0.037 4.899 4.740 0.203 0.000 0.241 364 N C 1.157 176.645 175.510 -0.036 0.000 1.262 364 N CA 0.112 53.143 53.050 -0.031 0.000 0.880 364 N CB 1.422 39.883 38.487 -0.042 0.000 1.105 364 N HN 0.512 nan 8.380 nan 0.000 0.438 365 V N 1.908 121.817 119.914 -0.008 0.000 2.317 365 V HA -0.278 3.964 4.120 0.203 0.000 0.251 365 V C 1.354 177.438 176.094 -0.017 0.000 1.065 365 V CA 1.559 63.862 62.300 0.005 0.000 1.049 365 V CB -0.328 31.506 31.823 0.018 0.000 0.651 365 V HN 1.003 nan 8.190 nan 0.000 0.450 366 C N -0.143 119.135 119.300 -0.037 0.000 0.168 366 C HA -0.263 4.319 4.460 0.203 0.000 0.017 366 C C 2.246 177.206 174.990 -0.049 0.000 0.171 366 C CA 1.438 60.420 59.018 -0.060 0.000 0.499 366 C CB -1.214 26.461 27.740 -0.109 0.000 3.212 366 C HN 1.050 nan 8.230 nan 0.000 1.118 367 S N 0.101 115.767 115.700 -0.057 0.000 2.663 367 S HA 0.281 4.872 4.470 0.203 0.000 0.247 367 S C 0.426 174.995 174.600 -0.052 0.000 1.074 367 S CA 0.692 58.868 58.200 -0.041 0.000 0.955 367 S CB -0.010 63.174 63.200 -0.027 0.000 0.901 367 S HN 0.857 nan 8.310 nan 0.000 0.505 368 E N 2.588 122.743 120.200 -0.075 0.000 3.582 368 E HA 0.382 4.854 4.350 0.203 0.000 0.217 368 E C -2.803 173.717 176.600 -0.132 0.000 1.092 368 E CA -1.918 54.433 56.400 -0.081 0.000 1.365 368 E CB 1.276 30.939 29.700 -0.061 0.000 1.278 368 E HN 0.433 nan 8.360 nan 0.000 0.439 369 P HA 0.025 nan 4.420 nan 0.000 0.269 369 P C -0.644 176.414 177.300 -0.404 0.000 1.215 369 P CA -0.096 62.762 63.100 -0.403 0.000 0.780 369 P CB 0.939 32.265 31.700 -0.623 0.000 0.898 370 V N 2.421 122.036 119.914 -0.499 0.000 2.638 370 V HA 0.313 4.555 4.120 0.203 0.000 0.306 370 V C -0.146 175.750 176.094 -0.329 0.000 1.052 370 V CA -0.405 61.729 62.300 -0.277 0.000 0.885 370 V CB 2.423 34.151 31.823 -0.158 0.000 0.999 370 V HN 0.742 nan 8.190 nan 0.000 0.424 371 W N 0.866 122.144 121.300 -0.037 0.000 3.178 371 W HA 0.232 5.014 4.660 0.203 0.000 0.241 371 W C 1.063 177.565 176.519 -0.029 0.000 1.122 371 W CA -0.178 57.148 57.345 -0.031 0.000 1.595 371 W CB 0.312 29.752 29.460 -0.033 0.000 0.918 371 W HN 0.647 nan 8.180 nan 0.000 0.700 372 K N 1.510 122.022 120.400 0.187 0.000 2.975 372 K HA -0.247 4.194 4.320 0.203 0.000 0.257 372 K C 0.140 176.779 176.600 0.066 0.000 1.005 372 K CA 0.999 57.336 56.287 0.083 0.000 0.738 372 K CB -1.674 30.846 32.500 0.033 0.000 1.236 372 K HN 0.468 nan 8.250 nan 0.000 0.483 373 Q N -0.256 119.598 119.800 0.090 0.000 2.413 373 Q HA 0.470 4.932 4.340 0.203 0.000 0.276 373 Q C -0.744 175.269 176.000 0.021 0.000 1.099 373 Q CA -1.375 54.459 55.803 0.053 0.000 0.814 373 Q CB 1.616 30.402 28.738 0.079 0.000 1.379 373 Q HN -0.078 nan 8.270 nan 0.000 0.436 374 R N 2.072 122.571 120.500 -0.002 0.000 2.316 374 R HA 0.342 4.804 4.340 0.203 0.000 0.314 374 R C -0.490 175.789 176.300 -0.036 0.000 1.069 374 R CA -0.101 55.988 56.100 -0.019 0.000 0.959 374 R CB -0.065 30.216 30.300 -0.032 0.000 0.987 374 R HN 0.601 nan 8.270 nan 0.000 0.446 375 L N 2.497 123.699 121.223 -0.035 0.000 2.272 375 L HA 0.354 4.816 4.340 0.203 0.000 0.289 375 L C 0.598 177.403 176.870 -0.110 0.000 1.032 375 L CA -0.285 54.495 54.840 -0.100 0.000 0.810 375 L CB 1.260 43.281 42.059 -0.063 0.000 1.205 375 L HN 0.429 nan 8.230 nan 0.000 0.422 376 E N 3.157 123.252 120.200 -0.175 0.000 2.158 376 E HA 0.413 4.885 4.350 0.203 0.000 0.271 376 E C -1.380 175.131 176.600 -0.148 0.000 0.911 376 E CA -0.699 55.645 56.400 -0.093 0.000 0.767 376 E CB 1.425 31.092 29.700 -0.055 0.000 1.120 376 E HN 0.279 nan 8.360 nan 0.000 0.405 377 F N 1.929 121.915 119.950 0.059 0.000 2.385 377 F HA 0.088 4.736 4.527 0.203 0.000 0.336 377 F C 1.081 176.938 175.800 0.094 0.000 1.100 377 F CA -0.622 57.451 58.000 0.122 0.000 1.116 377 F CB 0.824 39.987 39.000 0.270 0.000 1.166 377 F HN 0.398 nan 8.300 nan 0.000 0.511 378 D N 4.368 124.886 120.400 0.198 0.000 2.745 378 D HA 0.198 4.959 4.640 0.203 0.000 0.229 378 D C -0.756 175.623 176.300 0.132 0.000 1.088 378 D CA 0.533 54.603 54.000 0.117 0.000 1.054 378 D CB -0.551 40.283 40.800 0.056 0.000 1.132 378 D HN 0.462 nan 8.370 nan 0.000 0.464 379 I N -0.614 120.056 120.570 0.167 0.000 2.746 379 I HA 0.151 4.443 4.170 0.203 0.000 0.290 379 I C -1.263 174.951 176.117 0.162 0.000 1.600 379 I CA -0.576 60.807 61.300 0.137 0.000 1.019 379 I CB 1.627 39.693 38.000 0.111 0.000 1.426 379 I HN -0.083 nan 8.210 nan 0.000 0.460 380 S N 4.147 119.927 115.700 0.133 0.000 2.549 380 S HA 0.257 4.849 4.470 0.203 0.000 0.279 380 S C 1.061 175.756 174.600 0.158 0.000 1.321 380 S CA -0.283 57.999 58.200 0.137 0.000 1.054 380 S CB 1.374 64.650 63.200 0.127 0.000 0.899 380 S HN 0.504 nan 8.310 nan 0.000 0.497 381 V N 4.860 124.872 119.914 0.163 0.000 2.392 381 V HA -0.200 4.041 4.120 0.203 0.000 0.249 381 V C 2.633 178.811 176.094 0.140 0.000 1.059 381 V CA 2.125 64.528 62.300 0.172 0.000 1.051 381 V CB -1.307 30.622 31.823 0.176 0.000 0.658 381 V HN 1.134 nan 8.190 nan 0.000 0.455 382 C N -0.826 118.536 119.300 0.104 0.000 2.485 382 C HA -0.060 4.522 4.460 0.203 0.000 0.283 382 C C 1.946 177.007 174.990 0.119 0.000 1.478 382 C CA 0.181 59.233 59.018 0.057 0.000 1.741 382 C CB -1.306 26.410 27.740 -0.039 0.000 1.675 382 C HN 0.558 nan 8.230 nan 0.000 0.573 383 D N 1.114 121.648 120.400 0.223 0.000 2.232 383 D HA 0.120 4.882 4.640 0.203 0.000 0.220 383 D C 0.951 177.412 176.300 0.268 0.000 0.982 383 D CA 0.325 54.507 54.000 0.303 0.000 0.892 383 D CB -0.433 40.501 40.800 0.224 0.000 1.040 383 D HN 0.507 nan 8.370 nan 0.000 0.463 384 L N 3.342 124.686 121.223 0.202 0.000 3.963 384 L HA -0.157 4.305 4.340 0.203 0.000 0.470 384 L C -1.989 175.110 176.870 0.382 0.000 1.007 384 L CA -0.480 54.487 54.840 0.211 0.000 0.675 384 L CB -0.812 41.343 42.059 0.161 0.000 1.045 384 L HN 0.076 nan 8.230 nan 0.000 0.885 385 P HA 0.094 nan 4.420 nan 0.000 0.275 385 P C 0.345 177.714 177.300 0.114 0.000 1.266 385 P CA -0.674 62.602 63.100 0.293 0.000 0.793 385 P CB 0.577 32.358 31.700 0.134 0.000 1.074 386 R N 0.580 120.809 120.500 -0.451 0.000 2.127 386 R HA -0.042 4.419 4.340 0.203 0.000 0.238 386 R C 1.387 177.535 176.300 -0.254 0.000 1.134 386 R CA 1.987 57.473 56.100 -1.023 0.000 0.975 386 R CB -0.852 28.640 30.300 -1.347 0.000 0.865 386 R HN 0.343 nan 8.270 nan 0.000 0.447 387 M N 0.238 119.829 119.600 -0.016 0.000 2.560 387 M HA 0.378 4.980 4.480 0.203 0.000 0.297 387 M C -0.106 176.258 176.300 0.106 0.000 1.201 387 M CA -0.558 54.768 55.300 0.043 0.000 0.973 387 M CB -0.247 32.303 32.600 -0.083 0.000 1.401 387 M HN 0.088 nan 8.290 nan 0.000 0.497 388 A N 1.961 124.892 122.820 0.185 0.000 2.567 388 A HA 0.156 4.598 4.320 0.203 0.000 0.240 388 A C 0.495 178.105 177.584 0.042 0.000 1.053 388 A CA 0.417 52.523 52.037 0.115 0.000 0.755 388 A CB -0.042 19.003 19.000 0.076 0.000 0.978 388 A HN 0.588 nan 8.150 nan 0.000 0.507 389 R N 2.956 123.459 120.500 0.005 0.000 2.422 389 R HA 0.435 4.897 4.340 0.203 0.000 0.307 389 R C -1.300 174.985 176.300 -0.027 0.000 1.004 389 R CA -0.732 55.373 56.100 0.008 0.000 0.882 389 R CB 0.685 31.012 30.300 0.044 0.000 1.164 389 R HN 0.672 nan 8.270 nan 0.000 0.489 390 L N 5.216 126.380 121.223 -0.099 0.000 2.319 390 L HA 0.386 4.848 4.340 0.203 0.000 0.280 390 L C -1.321 175.426 176.870 -0.205 0.000 1.099 390 L CA -0.055 54.650 54.840 -0.225 0.000 0.828 390 L CB 0.933 42.851 42.059 -0.235 0.000 1.150 390 L HN 0.687 nan 8.230 nan 0.000 0.442 391 C N 5.614 124.756 119.300 -0.264 0.000 2.396 391 C HA 0.616 5.198 4.460 0.203 0.000 0.321 391 C C -0.398 174.437 174.990 -0.259 0.000 1.233 391 C CA -0.767 58.184 59.018 -0.111 0.000 1.440 391 C CB 0.362 28.145 27.740 0.072 0.000 2.110 391 C HN 0.703 nan 8.230 nan 0.000 0.473 392 F N 1.813 121.887 119.950 0.208 0.000 2.507 392 F HA 0.756 5.405 4.527 0.203 0.000 0.327 392 F C 0.482 176.403 175.800 0.202 0.000 1.068 392 F CA -0.480 57.621 58.000 0.169 0.000 0.965 392 F CB 1.274 40.328 39.000 0.090 0.000 1.192 392 F HN 0.649 nan 8.300 nan 0.000 0.476 393 A N 2.647 125.678 122.820 0.351 0.000 2.398 393 A HA 0.747 5.188 4.320 0.203 0.000 0.301 393 A C -1.976 175.623 177.584 0.024 0.000 1.041 393 A CA -0.592 51.618 52.037 0.288 0.000 0.711 393 A CB 1.458 20.693 19.000 0.393 0.000 1.240 393 A HN 0.846 nan 8.150 nan 0.000 0.420 394 L N 3.511 124.756 121.223 0.036 0.000 2.325 394 L HA 0.852 5.313 4.340 0.203 0.000 0.281 394 L C -1.225 175.653 176.870 0.013 0.000 1.004 394 L CA -0.444 54.321 54.840 -0.124 0.000 0.823 394 L CB 0.854 42.907 42.059 -0.010 0.000 1.236 394 L HN 0.796 nan 8.230 nan 0.000 0.415 395 Y N 3.262 123.642 120.300 0.133 0.000 2.705 395 Y HA 0.969 5.641 4.550 0.203 0.000 0.332 395 Y C -0.665 175.305 175.900 0.117 0.000 1.157 395 Y CA -1.019 57.153 58.100 0.119 0.000 1.091 395 Y CB 0.996 39.519 38.460 0.106 0.000 1.301 395 Y HN 0.587 nan 8.280 nan 0.000 0.488 396 A N 0.427 123.460 122.820 0.354 0.000 2.469 396 A HA 0.907 5.349 4.320 0.203 0.000 0.299 396 A C -1.537 176.172 177.584 0.208 0.000 1.098 396 A CA -0.651 51.529 52.037 0.239 0.000 0.737 396 A CB 1.896 20.989 19.000 0.156 0.000 1.312 396 A HN 1.447 nan 8.150 nan 0.000 0.414 397 V N 0.871 120.882 119.914 0.161 0.000 3.278 397 V HA 0.491 4.733 4.120 0.203 0.000 0.288 397 V C -0.555 175.594 176.094 0.092 0.000 1.514 397 V CA -0.395 61.976 62.300 0.117 0.000 1.051 397 V CB 1.955 33.855 31.823 0.128 0.000 1.163 397 V HN 1.256 nan 8.190 nan 0.000 0.458 416 C N 2.793 122.118 119.300 0.041 0.000 2.789 416 C HA 0.601 5.183 4.460 0.203 0.000 0.367 416 C C -2.916 172.171 174.990 0.162 0.000 1.062 416 C CA -1.248 57.822 59.018 0.088 0.000 1.297 416 C CB 0.605 28.398 27.740 0.087 0.000 1.794 416 C HN 0.357 nan 8.230 nan 0.000 0.474 417 P HA 0.543 nan 4.420 nan 0.000 0.282 417 P C -0.013 177.406 177.300 0.198 0.000 1.249 417 P CA -0.206 63.028 63.100 0.224 0.000 0.806 417 P CB 1.225 33.035 31.700 0.183 0.000 0.984 418 I N 0.954 121.655 120.570 0.219 0.000 3.650 418 I HA 0.413 4.705 4.170 0.203 0.000 0.261 418 I C 0.662 176.886 176.117 0.179 0.000 1.154 418 I CA 0.570 61.971 61.300 0.168 0.000 1.418 418 I CB -0.018 38.063 38.000 0.136 0.000 1.539 418 I HN 0.362 nan 8.210 nan 0.000 0.449 419 A N -0.042 122.898 122.820 0.201 0.000 2.587 419 A HA 0.694 5.136 4.320 0.203 0.000 0.293 419 A C -2.046 175.712 177.584 0.290 0.000 1.087 419 A CA -0.555 51.587 52.037 0.175 0.000 0.692 419 A CB 1.099 20.130 19.000 0.052 0.000 1.291 419 A HN 0.282 nan 8.150 nan 0.000 0.407 420 W N -0.561 120.845 121.300 0.176 0.000 3.062 420 W HA 0.850 5.631 4.660 0.202 0.000 0.336 420 W C -0.829 175.836 176.519 0.244 0.000 1.224 420 W CA -0.745 56.712 57.345 0.188 0.000 1.159 420 W CB 1.433 30.982 29.460 0.148 0.000 1.454 420 W HN 1.711 nan 8.180 nan 0.000 0.569 421 A N 2.593 125.712 122.820 0.498 0.000 2.547 421 A HA 0.523 4.965 4.320 0.203 0.000 0.298 421 A C -1.788 176.092 177.584 0.494 0.000 1.062 421 A CA -0.763 51.459 52.037 0.309 0.000 0.748 421 A CB 1.239 20.323 19.000 0.140 0.000 1.288 421 A HN 0.581 nan 8.150 nan 0.000 0.396 422 N N 1.001 119.957 118.700 0.425 0.000 2.265 422 N HA 0.812 5.674 4.740 0.203 0.000 0.300 422 N C -1.137 174.512 175.510 0.232 0.000 1.148 422 N CA -0.508 52.728 53.050 0.311 0.000 0.772 422 N CB 2.340 40.985 38.487 0.262 0.000 1.434 422 N HN 0.908 nan 8.380 nan 0.000 0.481 423 L N -1.627 119.701 121.223 0.174 0.000 2.465 423 L HA 0.620 5.082 4.340 0.203 0.000 0.257 423 L C -0.653 176.266 176.870 0.081 0.000 0.988 423 L CA -0.943 53.977 54.840 0.133 0.000 0.827 423 L CB 0.443 42.599 42.059 0.162 0.000 1.397 423 L HN 0.268 nan 8.230 nan 0.000 0.410 424 M N 2.594 122.237 119.600 0.070 0.000 2.239 424 M HA 0.223 4.825 4.480 0.203 0.000 0.348 424 M C 1.328 177.690 176.300 0.103 0.000 1.239 424 M CA 0.124 55.477 55.300 0.089 0.000 1.114 424 M CB 0.444 33.126 32.600 0.136 0.000 1.641 424 M HN 0.767 nan 8.290 nan 0.000 0.453 425 L N 1.515 122.768 121.223 0.050 0.000 2.179 425 L HA 0.023 4.484 4.340 0.203 0.000 0.208 425 L C 0.428 177.231 176.870 -0.112 0.000 1.096 425 L CA 0.792 55.589 54.840 -0.071 0.000 0.779 425 L CB -0.152 41.752 42.059 -0.257 0.000 0.922 425 L HN 0.427 nan 8.230 nan 0.000 0.443 426 F N 0.453 120.471 119.950 0.113 0.000 2.399 426 F HA 0.177 4.826 4.527 0.203 0.000 0.328 426 F C 0.727 176.671 175.800 0.240 0.000 1.084 426 F CA -1.334 56.760 58.000 0.157 0.000 1.053 426 F CB 0.802 39.894 39.000 0.154 0.000 1.209 426 F HN -0.014 nan 8.300 nan 0.000 0.502 427 D N 0.693 121.336 120.400 0.405 0.000 2.511 427 D HA 0.018 4.780 4.640 0.203 0.000 0.276 427 D C 0.509 176.898 176.300 0.149 0.000 1.220 427 D CA -0.358 53.864 54.000 0.371 0.000 1.077 427 D CB -0.170 40.785 40.800 0.258 0.000 1.126 427 D HN 0.589 nan 8.370 nan 0.000 0.583 428 Y N -1.929 118.273 120.300 -0.164 0.000 2.529 428 Y HA 0.334 5.006 4.550 0.203 0.000 0.290 428 Y C 1.013 176.742 175.900 -0.285 0.000 1.177 428 Y CA 0.094 57.803 58.100 -0.651 0.000 1.305 428 Y CB -0.038 38.147 38.460 -0.457 0.000 1.047 428 Y HN -0.007 nan 8.280 nan 0.000 0.522 429 K N 0.813 120.908 120.400 -0.509 0.000 2.372 429 K HA 0.063 4.505 4.320 0.203 0.000 0.200 429 K C -0.310 176.286 176.600 -0.008 0.000 1.022 429 K CA 0.546 56.618 56.287 -0.358 0.000 1.125 429 K CB -0.265 32.025 32.500 -0.349 0.000 0.855 429 K HN 0.461 nan 8.250 nan 0.000 0.524 430 D N 0.632 121.060 120.400 0.046 0.000 3.068 430 D HA -0.207 4.554 4.640 0.203 0.000 0.218 430 D C 0.126 176.766 176.300 0.567 0.000 1.145 430 D CA 0.818 54.927 54.000 0.181 0.000 0.896 430 D CB -1.301 39.553 40.800 0.090 0.000 1.105 430 D HN 0.435 nan 8.370 nan 0.000 0.423 431 Q N 0.673 120.776 119.800 0.506 0.000 2.271 431 Q HA 0.457 4.919 4.340 0.203 0.000 0.258 431 Q C -0.349 175.821 176.000 0.283 0.000 0.936 431 Q CA -0.910 55.086 55.803 0.321 0.000 0.909 431 Q CB 1.367 30.128 28.738 0.038 0.000 1.253 431 Q HN 0.201 nan 8.270 nan 0.000 0.440 432 L N 3.652 124.865 121.223 -0.017 0.000 2.453 432 L HA 0.173 4.635 4.340 0.203 0.000 0.272 432 L C -0.692 176.054 176.870 -0.208 0.000 1.182 432 L CA 0.618 55.140 54.840 -0.530 0.000 0.858 432 L CB 0.439 42.134 42.059 -0.606 0.000 1.120 432 L HN 0.631 nan 8.230 nan 0.000 0.474 433 K N 3.341 123.644 120.400 -0.162 0.000 2.326 433 K HA 0.458 4.900 4.320 0.203 0.000 0.275 433 K C -0.150 176.412 176.600 -0.064 0.000 1.018 433 K CA 0.108 56.362 56.287 -0.056 0.000 0.962 433 K CB 0.664 33.164 32.500 -0.001 0.000 0.953 433 K HN 0.857 nan 8.250 nan 0.000 0.475 434 T N -1.693 112.816 114.554 -0.076 0.000 2.840 434 T HA 0.448 4.920 4.350 0.203 0.000 0.317 434 T C 0.400 175.007 174.700 -0.155 0.000 1.401 434 T CA -0.670 61.356 62.100 -0.123 0.000 1.028 434 T CB 1.691 70.512 68.868 -0.078 0.000 1.317 434 T HN 0.499 nan 8.240 nan 0.000 0.495 435 G N 0.230 108.857 108.800 -0.288 0.000 2.571 435 G HA2 0.344 4.426 3.960 0.203 0.000 0.225 435 G HA3 0.344 4.426 3.960 0.203 0.000 0.225 435 G C 0.292 174.614 174.900 -0.963 0.000 1.731 435 G CA -0.155 44.529 45.100 -0.693 0.000 0.858 435 G HN 0.921 nan 8.290 nan 0.000 0.611 436 E N -0.112 119.468 120.200 -1.033 0.000 2.428 436 E HA 0.466 4.938 4.350 0.203 0.000 0.257 436 E C -0.610 175.876 176.600 -0.189 0.000 1.197 436 E CA 0.157 56.283 56.400 -0.457 0.000 0.974 436 E CB 0.486 30.141 29.700 -0.075 0.000 0.976 436 E HN 0.069 nan 8.360 nan 0.000 0.463 437 R N 0.089 120.538 120.500 -0.086 0.000 2.808 437 R HA 0.180 4.642 4.340 0.203 0.000 0.254 437 R C -1.814 174.443 176.300 -0.071 0.000 1.145 437 R CA -0.406 55.663 56.100 -0.052 0.000 1.066 437 R CB 0.939 31.221 30.300 -0.031 0.000 1.268 437 R HN 0.526 nan 8.270 nan 0.000 0.447 438 C N 5.849 125.102 119.300 -0.078 0.000 2.273 438 C HA 0.625 5.207 4.460 0.203 0.000 0.328 438 C C -0.548 174.284 174.990 -0.262 0.000 1.275 438 C CA -0.625 58.275 59.018 -0.197 0.000 1.704 438 C CB -0.509 27.104 27.740 -0.211 0.000 2.326 438 C HN 0.735 nan 8.230 nan 0.000 0.517 439 L N 7.239 128.264 121.223 -0.330 0.000 2.264 439 L HA 0.351 4.813 4.340 0.203 0.000 0.287 439 L C -0.814 175.829 176.870 -0.379 0.000 1.039 439 L CA -0.401 54.294 54.840 -0.241 0.000 0.829 439 L CB 0.366 42.328 42.059 -0.162 0.000 1.211 439 L HN 0.659 nan 8.230 nan 0.000 0.427 440 Y N 3.693 123.882 120.300 -0.185 0.000 2.480 440 Y HA 0.233 4.905 4.550 0.203 0.000 0.341 440 Y C 0.749 176.392 175.900 -0.428 0.000 1.031 440 Y CA -0.004 57.931 58.100 -0.276 0.000 1.295 440 Y CB 0.457 38.743 38.460 -0.289 0.000 1.162 440 Y HN 0.472 nan 8.280 nan 0.000 0.523 441 M N 2.759 122.184 119.600 -0.292 0.000 2.359 441 M HA 0.245 4.847 4.480 0.203 0.000 0.322 441 M C -0.935 175.059 176.300 -0.511 0.000 1.166 441 M CA -0.464 54.619 55.300 -0.362 0.000 1.067 441 M CB 1.080 33.562 32.600 -0.196 0.000 1.523 441 M HN 0.592 nan 8.290 nan 0.000 0.467 442 W N 1.251 122.183 121.300 -0.613 0.000 2.496 442 W HA 0.441 5.223 4.660 0.202 0.000 0.327 442 W C -2.213 174.100 176.519 -0.344 0.000 1.086 442 W CA -1.538 55.446 57.345 -0.601 0.000 1.222 442 W CB 0.014 28.848 29.460 -1.043 0.000 1.304 442 W HN 0.309 nan 8.180 nan 0.000 0.547 443 P HA 0.062 nan 4.420 nan 0.000 0.270 443 P C -0.578 176.916 177.300 0.323 0.000 1.223 443 P CA 0.092 63.307 63.100 0.191 0.000 0.785 443 P CB 0.642 32.441 31.700 0.166 0.000 0.923 444 S N 0.840 116.702 115.700 0.270 0.000 2.449 444 S HA 0.320 4.912 4.470 0.203 0.000 0.310 444 S C -0.092 174.612 174.600 0.173 0.000 1.096 444 S CA -0.674 57.694 58.200 0.281 0.000 1.095 444 S CB 0.581 63.943 63.200 0.269 0.000 1.007 444 S HN 0.317 nan 8.310 nan 0.000 0.474 453 L N 1.674 122.938 121.223 0.069 0.000 2.350 453 L HA 0.725 5.187 4.340 0.203 0.000 0.275 453 L C 0.402 177.153 176.870 -0.198 0.000 1.099 453 L CA -0.024 54.831 54.840 0.025 0.000 0.808 453 L CB 1.222 43.366 42.059 0.142 0.000 1.149 453 L HN 0.502 nan 8.230 nan 0.000 0.442 454 N N 4.116 122.632 118.700 -0.306 0.000 2.813 454 N HA 0.326 5.188 4.740 0.203 0.000 0.282 454 N C -2.037 173.137 175.510 -0.560 0.000 1.748 454 N CA -1.589 51.144 53.050 -0.529 0.000 0.860 454 N CB 0.863 38.815 38.487 -0.891 0.000 1.204 454 N HN 0.232 nan 8.380 nan 0.000 0.490 455 P HA -0.156 nan 4.420 nan 0.000 0.216 455 P C 1.075 178.169 177.300 -0.344 0.000 1.150 455 P CA 1.031 63.773 63.100 -0.596 0.000 0.837 455 P CB 0.266 31.444 31.700 -0.869 0.000 0.786 456 A N 0.606 123.173 122.820 -0.420 0.000 1.908 456 A HA 0.033 4.475 4.320 0.203 0.000 0.218 456 A C 1.701 178.962 177.584 -0.538 0.000 1.181 456 A CA 1.287 52.951 52.037 -0.621 0.000 0.627 456 A CB -1.838 16.877 19.000 -0.474 0.000 0.818 456 A HN 0.334 nan 8.150 nan 0.000 0.445 457 G N -0.490 107.972 108.800 -0.564 0.000 2.460 457 G HA2 0.275 4.357 3.960 0.203 0.000 0.230 457 G HA3 0.275 4.357 3.960 0.203 0.000 0.230 457 G C 0.416 175.242 174.900 -0.122 0.000 1.248 457 G CA 0.626 45.413 45.100 -0.522 0.000 0.863 457 G HN 0.488 nan 8.290 nan 0.000 0.549 458 T N -0.997 113.542 114.554 -0.026 0.000 2.854 458 T HA 0.074 4.546 4.350 0.203 0.000 0.336 458 T C 1.436 176.203 174.700 0.111 0.000 1.095 458 T CA 0.683 62.767 62.100 -0.027 0.000 1.118 458 T CB 0.382 69.186 68.868 -0.108 0.000 1.025 458 T HN 1.286 nan 8.240 nan 0.000 0.549 459 V N 2.059 122.003 119.914 0.050 0.000 3.043 459 V HA 0.507 4.748 4.120 0.203 0.000 0.357 459 V C 0.289 176.443 176.094 0.101 0.000 1.372 459 V CA -0.425 61.923 62.300 0.079 0.000 1.214 459 V CB -0.842 30.973 31.823 -0.014 0.000 1.224 459 V HN 0.785 nan 8.190 nan 0.000 0.507 460 R N 0.189 120.779 120.500 0.151 0.000 2.744 460 R HA 0.721 5.183 4.340 0.203 0.000 0.279 460 R C 0.374 176.832 176.300 0.264 0.000 0.977 460 R CA -0.060 56.132 56.100 0.153 0.000 0.906 460 R CB 1.934 32.289 30.300 0.091 0.000 1.197 460 R HN 0.357 nan 8.270 nan 0.000 0.463 461 G N 1.401 110.288 108.800 0.145 0.000 2.634 461 G HA2 -0.009 4.072 3.960 0.203 0.000 0.255 461 G HA3 -0.009 4.072 3.960 0.203 0.000 0.255 461 G C -0.497 174.245 174.900 -0.263 0.000 1.205 461 G CA -0.588 44.517 45.100 0.008 0.000 0.884 461 G HN 0.644 nan 8.290 nan 0.000 0.549 462 N N 0.857 119.051 118.700 -0.843 0.000 2.452 462 N HA 0.121 4.983 4.740 0.203 0.000 0.266 462 N C -0.975 174.162 175.510 -0.623 0.000 1.209 462 N CA -1.862 50.380 53.050 -1.347 0.000 0.929 462 N CB 1.618 39.273 38.487 -1.387 0.000 1.063 462 N HN 0.080 nan 8.380 nan 0.000 0.472 463 P HA -0.070 nan 4.420 nan 0.000 0.223 463 P C 0.113 177.249 177.300 -0.273 0.000 1.151 463 P CA 0.605 63.546 63.100 -0.265 0.000 0.787 463 P CB 0.203 31.827 31.700 -0.127 0.000 0.788 464 N N 1.070 119.595 118.700 -0.290 0.000 3.103 464 N HA -0.023 4.839 4.740 0.203 0.000 0.305 464 N C 1.168 176.523 175.510 -0.259 0.000 1.232 464 N CA 0.265 53.181 53.050 -0.223 0.000 1.190 464 N CB -0.711 37.675 38.487 -0.168 0.000 1.461 464 N HN 0.057 nan 8.380 nan 0.000 0.538 465 T N -1.547 112.792 114.554 -0.358 0.000 2.803 465 T HA -0.232 4.240 4.350 0.203 0.000 0.269 465 T C 1.459 176.023 174.700 -0.225 0.000 1.052 465 T CA 1.459 63.239 62.100 -0.534 0.000 1.136 465 T CB -0.279 68.128 68.868 -0.768 0.000 0.864 465 T HN 0.571 nan 8.240 nan 0.000 0.467 466 E N 0.790 120.902 120.200 -0.148 0.000 2.048 466 E HA -0.222 4.250 4.350 0.203 0.000 0.202 466 E C 2.274 178.856 176.600 -0.030 0.000 1.021 466 E CA 1.801 58.161 56.400 -0.067 0.000 0.825 466 E CB -0.588 29.076 29.700 -0.061 0.000 0.756 466 E HN 0.538 nan 8.360 nan 0.000 0.454 467 S N -0.845 114.829 115.700 -0.044 0.000 2.492 467 S HA 0.318 4.910 4.470 0.203 0.000 0.218 467 S C 0.319 174.908 174.600 -0.019 0.000 1.016 467 S CA 0.171 58.355 58.200 -0.027 0.000 0.916 467 S CB 0.175 63.355 63.200 -0.033 0.000 0.791 467 S HN 0.486 nan 8.310 nan 0.000 0.513 468 A N 1.562 124.369 122.820 -0.022 0.000 2.425 468 A HA 0.680 5.122 4.320 0.203 0.000 0.249 468 A C 0.478 178.067 177.584 0.008 0.000 1.084 468 A CA -0.033 51.988 52.037 -0.028 0.000 0.781 468 A CB 0.002 18.967 19.000 -0.059 0.000 1.019 468 A HN 0.546 nan 8.150 nan 0.000 0.490 469 A N 1.163 123.959 122.820 -0.040 0.000 2.498 469 A HA 0.516 4.958 4.320 0.203 0.000 0.239 469 A C 0.573 178.079 177.584 -0.129 0.000 1.068 469 A CA 0.513 52.517 52.037 -0.056 0.000 0.766 469 A CB -0.166 18.809 19.000 -0.041 0.000 1.003 469 A HN 2.229 nan 8.150 nan 0.000 0.497 470 A N 2.666 125.379 122.820 -0.178 0.000 2.356 470 A HA 0.651 5.092 4.320 0.203 0.000 0.310 470 A C -0.659 176.768 177.584 -0.260 0.000 1.075 470 A CA -0.435 51.380 52.037 -0.369 0.000 0.746 470 A CB 0.877 19.549 19.000 -0.546 0.000 1.221 470 A HN 0.809 nan 8.150 nan 0.000 0.443 471 L N 3.690 124.735 121.223 -0.296 0.000 2.305 471 L HA 0.495 4.957 4.340 0.203 0.000 0.284 471 L C -0.390 176.326 176.870 -0.256 0.000 1.013 471 L CA -0.887 53.805 54.840 -0.247 0.000 0.819 471 L CB 1.712 43.567 42.059 -0.340 0.000 1.227 471 L HN 0.650 nan 8.230 nan 0.000 0.417 472 V N 3.053 122.870 119.914 -0.162 0.000 2.439 472 V HA 0.642 4.884 4.120 0.203 0.000 0.282 472 V C -0.057 175.986 176.094 -0.086 0.000 1.039 472 V CA -0.589 61.643 62.300 -0.114 0.000 0.913 472 V CB 1.268 33.059 31.823 -0.052 0.000 0.983 472 V HN 0.708 nan 8.190 nan 0.000 0.460 473 I N 1.539 122.070 120.570 -0.066 0.000 3.239 473 I HA 0.729 5.021 4.170 0.203 0.000 0.314 473 I C -1.551 174.626 176.117 0.100 0.000 1.126 473 I CA -1.324 59.969 61.300 -0.011 0.000 0.973 473 I CB 2.634 40.588 38.000 -0.076 0.000 1.252 473 I HN 0.577 nan 8.210 nan 0.000 0.463 474 Y N 2.797 123.103 120.300 0.009 0.000 2.445 474 Y HA 0.584 5.256 4.550 0.203 0.000 0.332 474 Y C -1.171 174.738 175.900 0.015 0.000 1.037 474 Y CA -0.529 57.578 58.100 0.012 0.000 1.296 474 Y CB 1.410 39.869 38.460 -0.001 0.000 1.099 474 Y HN 0.480 nan 8.280 nan 0.000 0.496 475 L N 8.282 129.460 121.223 -0.074 0.000 2.418 475 L HA 0.287 4.748 4.340 0.203 0.000 0.274 475 L C -2.224 174.622 176.870 -0.040 0.000 1.135 475 L CA -1.516 53.313 54.840 -0.018 0.000 0.870 475 L CB 0.245 42.301 42.059 -0.005 0.000 1.154 475 L HN 0.434 nan 8.230 nan 0.000 0.462 476 P HA 0.144 nan 4.420 nan 0.000 0.282 476 P C -1.206 176.136 177.300 0.070 0.000 1.259 476 P CA -0.812 62.382 63.100 0.156 0.000 0.826 476 P CB 0.605 32.377 31.700 0.121 0.000 1.064 477 E N 0.711 120.961 120.200 0.083 0.000 1.865 477 E HA 0.115 4.586 4.350 0.203 0.000 0.269 477 E C 0.553 177.170 176.600 0.028 0.000 1.177 477 E CA -0.576 55.846 56.400 0.037 0.000 0.932 477 E CB -0.026 29.697 29.700 0.038 0.000 1.066 477 E HN 0.223 nan 8.360 nan 0.000 0.405 478 V N 0.691 120.615 119.914 0.017 0.000 3.504 478 V HA 0.152 4.394 4.120 0.203 0.000 0.273 478 V C 0.557 176.655 176.094 0.007 0.000 1.228 478 V CA 0.834 63.142 62.300 0.015 0.000 1.189 478 V CB -1.681 30.154 31.823 0.019 0.000 0.881 478 V HN 0.687 nan 8.190 nan 0.000 0.529 483 V N -1.753 117.975 119.914 -0.311 0.000 2.567 483 V HA 0.686 4.928 4.120 0.203 0.000 0.298 483 V C -1.291 174.722 176.094 -0.134 0.000 1.047 483 V CA -0.628 61.581 62.300 -0.151 0.000 0.880 483 V CB 1.337 33.150 31.823 -0.017 0.000 1.009 483 V HN 0.505 nan 8.190 nan 0.000 0.429 484 Y N 3.235 123.664 120.300 0.214 0.000 2.387 484 Y HA 0.648 5.319 4.550 0.203 0.000 0.336 484 Y C 0.043 176.086 175.900 0.239 0.000 1.067 484 Y CA -1.546 56.701 58.100 0.246 0.000 1.114 484 Y CB 1.817 40.355 38.460 0.129 0.000 1.208 484 Y HN 0.754 nan 8.280 nan 0.000 0.458 485 F N 4.920 124.988 119.950 0.197 0.000 2.578 485 F HA 0.239 4.888 4.527 0.203 0.000 0.376 485 F C -1.760 174.068 175.800 0.046 0.000 1.085 485 F CA -1.581 56.381 58.000 -0.064 0.000 1.260 485 F CB 0.340 39.062 39.000 -0.462 0.000 1.095 485 F HN 0.360 nan 8.300 nan 0.000 0.573 486 P HA 0.040 nan 4.420 nan 0.000 0.266 486 P C -0.998 176.350 177.300 0.079 0.000 1.186 486 P CA -0.036 63.006 63.100 -0.096 0.000 0.767 486 P CB 0.378 31.924 31.700 -0.255 0.000 0.820 487 A N 2.202 125.058 122.820 0.060 0.000 2.386 487 A HA 0.064 4.505 4.320 0.203 0.000 0.246 487 A C 1.353 179.004 177.584 0.111 0.000 1.089 487 A CA -0.308 51.784 52.037 0.092 0.000 0.790 487 A CB -0.326 18.701 19.000 0.045 0.000 1.042 487 A HN 0.639 nan 8.150 nan 0.000 0.497 488 L N 0.912 122.224 121.223 0.150 0.000 2.013 488 L HA -0.218 4.243 4.340 0.203 0.000 0.212 488 L C 2.429 179.319 176.870 0.033 0.000 1.073 488 L CA 2.933 57.830 54.840 0.094 0.000 0.753 488 L CB -1.162 40.960 42.059 0.105 0.000 0.890 488 L HN 0.955 nan 8.230 nan 0.000 0.432 489 E N -1.286 118.934 120.200 0.033 0.000 2.204 489 E HA -0.232 4.239 4.350 0.203 0.000 0.195 489 E C 1.786 178.378 176.600 -0.013 0.000 0.990 489 E CA 1.088 57.496 56.400 0.014 0.000 0.821 489 E CB -0.265 29.442 29.700 0.012 0.000 0.750 489 E HN 0.450 nan 8.360 nan 0.000 0.477 490 K N 0.569 120.955 120.400 -0.022 0.000 2.062 490 K HA -0.030 4.412 4.320 0.203 0.000 0.205 490 K C 2.242 178.803 176.600 -0.064 0.000 1.051 490 K CA 0.703 56.953 56.287 -0.062 0.000 0.941 490 K CB -0.104 32.348 32.500 -0.079 0.000 0.719 490 K HN 0.269 nan 8.250 nan 0.000 0.440 491 I N 1.710 122.264 120.570 -0.026 0.000 2.099 491 I HA -0.276 4.016 4.170 0.203 0.000 0.239 491 I C 2.522 178.630 176.117 -0.014 0.000 1.066 491 I CA 1.268 62.563 61.300 -0.009 0.000 1.324 491 I CB -1.006 37.010 38.000 0.028 0.000 1.037 491 I HN 0.116 nan 8.210 nan 0.000 0.401 492 L N 0.355 121.585 121.223 0.012 0.000 2.051 492 L HA -0.275 4.186 4.340 0.203 0.000 0.214 492 L C 2.557 179.383 176.870 -0.073 0.000 1.076 492 L CA 1.470 56.351 54.840 0.069 0.000 0.758 492 L CB -0.610 41.522 42.059 0.121 0.000 0.890 492 L HN 0.340 nan 8.230 nan 0.000 0.433 493 E N -0.141 120.011 120.200 -0.079 0.000 2.026 493 E HA -0.242 4.230 4.350 0.203 0.000 0.206 493 E C 0.999 177.495 176.600 -0.173 0.000 1.028 493 E CA 1.299 57.623 56.400 -0.125 0.000 0.845 493 E CB -0.162 29.471 29.700 -0.113 0.000 0.772 493 E HN 0.145 nan 8.360 nan 0.000 0.462 523 L N -1.455 119.674 121.223 -0.157 0.000 2.582 523 L HA 0.595 5.056 4.340 0.203 0.000 0.257 523 L C -1.399 175.402 176.870 -0.115 0.000 0.974 523 L CA -1.100 53.602 54.840 -0.229 0.000 0.851 523 L CB 1.194 43.161 42.059 -0.153 0.000 1.424 523 L HN 0.401 nan 8.230 nan 0.000 0.412 524 Y N 0.689 120.979 120.300 -0.018 0.000 2.314 524 Y HA 0.207 4.879 4.550 0.203 0.000 0.334 524 Y C 1.525 177.451 175.900 0.043 0.000 1.266 524 Y CA 0.012 58.137 58.100 0.041 0.000 1.391 524 Y CB 0.582 39.127 38.460 0.142 0.000 1.306 524 Y HN 0.783 nan 8.280 nan 0.000 0.558 525 E N 1.148 121.526 120.200 0.298 0.000 2.072 525 E HA -0.339 4.133 4.350 0.203 0.000 0.218 525 E C 2.099 178.808 176.600 0.181 0.000 1.051 525 E CA 2.580 59.090 56.400 0.183 0.000 0.880 525 E CB -0.651 29.132 29.700 0.138 0.000 0.783 525 E HN 0.908 nan 8.360 nan 0.000 0.473 526 H N -0.938 118.177 119.070 0.075 0.000 2.319 526 H HA -0.039 4.639 4.556 0.203 0.000 0.297 526 H C 2.036 177.405 175.328 0.068 0.000 1.097 526 H CA 1.415 57.501 56.048 0.063 0.000 1.285 526 H CB -0.409 29.385 29.762 0.054 0.000 1.368 526 H HN 0.269 nan 8.280 nan 0.000 0.495 527 E N 1.313 121.217 120.200 -0.493 0.000 2.070 527 E HA -0.223 4.249 4.350 0.203 0.000 0.197 527 E C 2.183 178.718 176.600 -0.108 0.000 1.004 527 E CA 1.509 57.704 56.400 -0.341 0.000 0.805 527 E CB -0.107 29.401 29.700 -0.320 0.000 0.744 527 E HN 0.542 nan 8.360 nan 0.000 0.451 528 K N 0.778 121.149 120.400 -0.048 0.000 2.032 528 K HA -0.251 4.191 4.320 0.203 0.000 0.218 528 K C 1.864 178.498 176.600 0.056 0.000 1.054 528 K CA 2.153 58.443 56.287 0.004 0.000 0.941 528 K CB -0.277 32.224 32.500 0.001 0.000 0.720 528 K HN 0.077 nan 8.250 nan 0.000 0.449 529 D N 0.333 120.772 120.400 0.066 0.000 2.203 529 D HA -0.182 4.580 4.640 0.203 0.000 0.199 529 D C 1.603 177.987 176.300 0.140 0.000 0.997 529 D CA 0.834 54.908 54.000 0.123 0.000 0.863 529 D CB -0.076 40.791 40.800 0.111 0.000 0.928 529 D HN 0.044 nan 8.370 nan 0.000 0.458 530 L N 0.075 121.341 121.223 0.072 0.000 2.127 530 L HA -0.017 4.445 4.340 0.203 0.000 0.203 530 L C 1.996 178.893 176.870 0.045 0.000 1.080 530 L CA 1.081 55.948 54.840 0.045 0.000 0.768 530 L CB -0.527 41.532 42.059 0.001 0.000 0.924 530 L HN -0.062 nan 8.230 nan 0.000 0.444 531 V N -0.721 119.224 119.914 0.052 0.000 2.233 531 V HA -0.359 3.882 4.120 0.203 0.000 0.247 531 V C 2.292 178.456 176.094 0.116 0.000 1.050 531 V CA 2.343 64.679 62.300 0.061 0.000 1.010 531 V CB -1.352 30.512 31.823 0.069 0.000 0.637 531 V HN 0.680 nan 8.190 nan 0.000 0.444 532 W N 1.392 122.664 121.300 -0.047 0.000 2.302 532 W HA -0.387 4.395 4.660 0.203 0.000 0.320 532 W C 2.668 179.153 176.519 -0.056 0.000 1.241 532 W CA 2.581 59.890 57.345 -0.061 0.000 1.264 532 W CB -0.142 29.280 29.460 -0.063 0.000 1.154 532 W HN 0.236 nan 8.180 nan 0.000 0.483 533 K N 0.164 120.530 120.400 -0.058 0.000 2.032 533 K HA -0.203 4.239 4.320 0.203 0.000 0.209 533 K C 1.704 178.230 176.600 -0.123 0.000 1.048 533 K CA 1.873 58.085 56.287 -0.125 0.000 0.927 533 K CB -0.640 31.861 32.500 0.000 0.000 0.712 533 K HN -0.050 nan 8.250 nan 0.000 0.441 534 M N 1.787 121.352 119.600 -0.060 0.000 2.608 534 M HA 0.076 4.678 4.480 0.203 0.000 0.224 534 M C 0.945 177.216 176.300 -0.049 0.000 1.204 534 M CA 0.426 55.717 55.300 -0.015 0.000 0.984 534 M CB -0.485 32.125 32.600 0.016 0.000 1.691 534 M HN 0.218 nan 8.290 nan 0.000 0.469 535 R N -0.685 119.687 120.500 -0.213 0.000 2.096 535 R HA -0.161 4.300 4.340 0.203 0.000 0.235 535 R C 1.298 177.466 176.300 -0.220 0.000 1.127 535 R CA 1.774 57.731 56.100 -0.238 0.000 0.968 535 R CB -0.950 29.076 30.300 -0.458 0.000 0.861 535 R HN 0.367 nan 8.270 nan 0.000 0.440 536 H N 1.102 120.119 119.070 -0.088 0.000 2.357 536 H HA -0.014 4.664 4.556 0.203 0.000 0.301 536 H C 1.977 177.234 175.328 -0.118 0.000 1.082 536 H CA 1.541 57.526 56.048 -0.106 0.000 1.342 536 H CB 0.000 29.705 29.762 -0.096 0.000 1.389 536 H HN 0.325 nan 8.280 nan 0.000 0.511 537 E N 0.817 121.077 120.200 0.100 0.000 2.106 537 E HA -0.100 4.372 4.350 0.203 0.000 0.192 537 E C 2.472 179.179 176.600 0.177 0.000 0.984 537 E CA 0.717 57.200 56.400 0.140 0.000 0.806 537 E CB -0.637 29.209 29.700 0.243 0.000 0.750 537 E HN 0.319 nan 8.360 nan 0.000 0.458 538 V N 1.839 121.841 119.914 0.147 0.000 2.332 538 V HA -0.282 3.960 4.120 0.203 0.000 0.248 538 V C 2.668 178.766 176.094 0.006 0.000 1.055 538 V CA 2.119 64.541 62.300 0.203 0.000 1.038 538 V CB -0.563 31.373 31.823 0.189 0.000 0.651 538 V HN 0.289 nan 8.190 nan 0.000 0.450 539 Q N -0.308 119.304 119.800 -0.313 0.000 2.083 539 Q HA -0.219 4.243 4.340 0.203 0.000 0.198 539 Q C 2.249 177.857 176.000 -0.654 0.000 0.969 539 Q CA 1.766 56.994 55.803 -0.957 0.000 0.838 539 Q CB 0.000 28.234 28.738 -0.840 0.000 0.900 539 Q HN 0.728 nan 8.270 nan 0.000 0.436 540 E N -1.038 118.889 120.200 -0.455 0.000 2.106 540 E HA -0.167 4.304 4.350 0.203 0.000 0.192 540 E C 1.032 177.208 176.600 -0.708 0.000 0.984 540 E CA 1.294 57.326 56.400 -0.612 0.000 0.806 540 E CB 0.132 29.384 29.700 -0.747 0.000 0.750 540 E HN 0.554 nan 8.360 nan 0.000 0.458 541 H N -2.887 116.075 119.070 -0.181 0.000 3.170 541 H HA 0.219 4.896 4.556 0.203 0.000 0.264 541 H C -0.371 174.525 175.328 -0.721 0.000 1.113 541 H CA -0.152 55.642 56.048 -0.423 0.000 1.194 541 H CB 0.777 30.245 29.762 -0.491 0.000 1.553 541 H HN -0.025 nan 8.280 nan 0.000 0.538 542 F N 0.816 120.773 119.950 0.012 0.000 2.556 542 F HA 0.241 4.889 4.527 0.203 0.000 0.384 542 F C -1.910 173.942 175.800 0.087 0.000 1.493 542 F CA -1.644 56.390 58.000 0.057 0.000 1.119 542 F CB 1.300 40.352 39.000 0.086 0.000 1.280 542 F HN -0.027 nan 8.300 nan 0.000 0.525 543 P HA -0.205 nan 4.420 nan 0.000 0.222 543 P C 0.793 178.417 177.300 0.539 0.000 1.142 543 P CA 1.529 64.738 63.100 0.182 0.000 0.788 543 P CB 0.304 31.970 31.700 -0.057 0.000 0.767 544 E N -0.485 119.916 120.200 0.334 0.000 2.482 544 E HA 0.070 4.542 4.350 0.203 0.000 0.196 544 E C 1.656 178.390 176.600 0.223 0.000 1.047 544 E CA 0.289 56.846 56.400 0.261 0.000 0.869 544 E CB -0.137 29.673 29.700 0.183 0.000 0.836 544 E HN 0.249 nan 8.360 nan 0.000 0.520 545 A N 0.639 123.630 122.820 0.286 0.000 2.307 545 A HA 0.046 4.487 4.320 0.203 0.000 0.218 545 A C 1.749 179.401 177.584 0.113 0.000 1.228 545 A CA -0.146 52.001 52.037 0.183 0.000 0.857 545 A CB -0.154 18.944 19.000 0.164 0.000 0.897 545 A HN 0.174 nan 8.150 nan 0.000 0.495 546 L N 0.311 121.566 121.223 0.053 0.000 2.011 546 L HA -0.317 4.145 4.340 0.203 0.000 0.225 546 L C 2.674 179.389 176.870 -0.258 0.000 1.084 546 L CA 2.644 57.261 54.840 -0.371 0.000 0.791 546 L CB -0.903 40.642 42.059 -0.858 0.000 0.898 546 L HN 0.425 nan 8.230 nan 0.000 0.440 547 A N -0.957 121.728 122.820 -0.225 0.000 1.896 547 A HA -0.337 4.105 4.320 0.203 0.000 0.220 547 A C 2.541 180.187 177.584 0.102 0.000 1.206 547 A CA 2.420 54.383 52.037 -0.122 0.000 0.647 547 A CB -0.779 18.162 19.000 -0.097 0.000 0.828 547 A HN 0.543 nan 8.150 nan 0.000 0.455 548 R N -1.272 119.268 120.500 0.067 0.000 2.096 548 R HA -0.110 4.352 4.340 0.203 0.000 0.235 548 R C 2.137 178.489 176.300 0.087 0.000 1.127 548 R CA 1.512 57.661 56.100 0.081 0.000 0.968 548 R CB -0.388 29.942 30.300 0.050 0.000 0.861 548 R HN 0.526 nan 8.270 nan 0.000 0.440 549 L N 1.064 122.334 121.223 0.077 0.000 2.027 549 L HA -0.117 4.345 4.340 0.203 0.000 0.206 549 L C 1.915 178.859 176.870 0.124 0.000 1.074 549 L CA 1.604 56.509 54.840 0.108 0.000 0.745 549 L CB -0.483 41.642 42.059 0.109 0.000 0.898 549 L HN 0.153 nan 8.230 nan 0.000 0.433 550 L N -0.934 120.364 121.223 0.126 0.000 2.079 550 L HA -0.242 4.220 4.340 0.203 0.000 0.210 550 L C 2.437 179.558 176.870 0.419 0.000 1.081 550 L CA 1.304 56.322 54.840 0.297 0.000 0.752 550 L CB -0.558 41.698 42.059 0.328 0.000 0.896 550 L HN 0.327 nan 8.230 nan 0.000 0.433 551 L N -0.653 120.742 121.223 0.286 0.000 2.465 551 L HA -0.096 4.366 4.340 0.203 0.000 0.224 551 L C 2.223 179.158 176.870 0.109 0.000 1.145 551 L CA 0.381 55.331 54.840 0.183 0.000 0.834 551 L CB -0.300 41.816 42.059 0.095 0.000 0.944 551 L HN 0.238 nan 8.230 nan 0.000 0.451 552 V N -5.131 114.822 119.914 0.065 0.000 3.471 552 V HA 0.062 4.304 4.120 0.203 0.000 0.258 552 V C 1.340 177.286 176.094 -0.246 0.000 1.192 552 V CA 0.234 62.508 62.300 -0.042 0.000 1.116 552 V CB -0.368 31.454 31.823 -0.002 0.000 0.792 552 V HN 0.340 nan 8.190 nan 0.000 0.459 553 T N 2.092 116.459 114.554 -0.312 0.000 2.940 553 T HA 0.091 4.563 4.350 0.203 0.000 0.309 553 T C 0.208 174.376 174.700 -0.886 0.000 1.056 553 T CA -0.100 61.488 62.100 -0.853 0.000 1.137 553 T CB 0.160 68.511 68.868 -0.862 0.000 0.976 553 T HN 0.445 nan 8.240 nan 0.000 0.547 554 K N 4.722 124.560 120.400 -0.936 0.000 2.219 554 K HA 0.081 4.523 4.320 0.203 0.000 0.280 554 K C 0.241 176.523 176.600 -0.531 0.000 1.104 554 K CA -0.048 55.893 56.287 -0.576 0.000 0.925 554 K CB 0.336 32.530 32.500 -0.509 0.000 1.261 554 K HN 0.799 nan 8.250 nan 0.000 0.445 555 W N 1.236 122.383 121.300 -0.256 0.000 2.678 555 W HA -0.097 4.685 4.660 0.203 0.000 0.256 555 W C 1.422 177.800 176.519 -0.235 0.000 1.280 555 W CA 0.230 57.396 57.345 -0.298 0.000 1.345 555 W CB -0.002 29.172 29.460 -0.477 0.000 1.118 555 W HN 0.542 nan 8.180 nan 0.000 0.629 556 N N 0.408 119.099 118.700 -0.014 0.000 2.295 556 N HA 0.017 4.879 4.740 0.203 0.000 0.221 556 N C -0.396 175.101 175.510 -0.023 0.000 1.129 556 N CA 0.225 53.272 53.050 -0.005 0.000 0.836 556 N CB -0.223 38.258 38.487 -0.010 0.000 1.040 556 N HN -0.141 nan 8.380 nan 0.000 0.494 557 K N 1.033 121.386 120.400 -0.079 0.000 2.640 557 K HA 0.102 4.544 4.320 0.203 0.000 0.245 557 K C 0.499 177.014 176.600 -0.143 0.000 0.962 557 K CA -0.519 55.687 56.287 -0.136 0.000 0.896 557 K CB 0.983 33.368 32.500 -0.192 0.000 1.147 557 K HN 0.289 nan 8.250 nan 0.000 0.445 558 H N 1.388 120.479 119.070 0.035 0.000 2.387 558 H HA -0.081 4.597 4.556 0.203 0.000 0.299 558 H C 0.861 176.215 175.328 0.042 0.000 1.099 558 H CA 1.296 57.383 56.048 0.065 0.000 1.315 558 H CB 0.398 30.217 29.762 0.096 0.000 1.380 558 H HN 0.590 nan 8.280 nan 0.000 0.513 559 E N 0.939 120.967 120.200 -0.286 0.000 2.085 559 E HA -0.155 4.316 4.350 0.203 0.000 0.194 559 E C 1.588 178.194 176.600 0.010 0.000 0.994 559 E CA 1.591 57.954 56.400 -0.061 0.000 0.801 559 E CB 0.068 29.693 29.700 -0.125 0.000 0.743 559 E HN 0.623 nan 8.360 nan 0.000 0.453 560 D N -0.288 120.087 120.400 -0.042 0.000 2.144 560 D HA -0.123 4.639 4.640 0.203 0.000 0.200 560 D C 1.891 178.158 176.300 -0.055 0.000 0.978 560 D CA 0.611 54.624 54.000 0.022 0.000 0.833 560 D CB -0.056 40.575 40.800 -0.282 0.000 0.961 560 D HN 0.026 nan 8.370 nan 0.000 0.470 561 V N 0.780 120.606 119.914 -0.147 0.000 2.667 561 V HA -0.130 4.112 4.120 0.203 0.000 0.252 561 V C 2.311 178.418 176.094 0.021 0.000 1.065 561 V CA 1.437 63.637 62.300 -0.166 0.000 1.083 561 V CB -0.653 31.142 31.823 -0.047 0.000 0.692 561 V HN 0.228 nan 8.190 nan 0.000 0.468 562 A N -0.435 122.430 122.820 0.075 0.000 1.855 562 A HA -0.268 4.174 4.320 0.203 0.000 0.215 562 A C 2.185 179.823 177.584 0.089 0.000 1.191 562 A CA 1.835 53.923 52.037 0.084 0.000 0.613 562 A CB -0.462 18.581 19.000 0.071 0.000 0.829 562 A HN 0.552 nan 8.150 nan 0.000 0.442 563 Q N -1.731 118.129 119.800 0.101 0.000 2.084 563 Q HA -0.210 4.252 4.340 0.203 0.000 0.202 563 Q C 2.137 178.211 176.000 0.123 0.000 0.978 563 Q CA 1.796 57.661 55.803 0.104 0.000 0.844 563 Q CB -0.304 28.478 28.738 0.074 0.000 0.898 563 Q HN 0.650 nan 8.270 nan 0.000 0.426 564 M N 0.366 120.060 119.600 0.157 0.000 2.065 564 M HA -0.173 4.429 4.480 0.203 0.000 0.259 564 M C 1.659 178.000 176.300 0.069 0.000 1.071 564 M CA 1.588 56.950 55.300 0.104 0.000 1.109 564 M CB -0.568 32.009 32.600 -0.039 0.000 1.313 564 M HN 0.175 nan 8.290 nan 0.000 0.408 565 L N -0.593 120.667 121.223 0.063 0.000 2.013 565 L HA -0.235 4.226 4.340 0.203 0.000 0.212 565 L C 2.464 179.361 176.870 0.046 0.000 1.073 565 L CA 2.003 56.865 54.840 0.037 0.000 0.753 565 L CB -1.902 40.156 42.059 -0.001 0.000 0.890 565 L HN 0.546 nan 8.230 nan 0.000 0.432 566 Y N -0.380 119.905 120.300 -0.025 0.000 2.165 566 Y HA -0.266 4.406 4.550 0.203 0.000 0.286 566 Y C 2.397 178.318 175.900 0.035 0.000 1.155 566 Y CA 1.592 59.686 58.100 -0.010 0.000 1.164 566 Y CB -0.271 38.185 38.460 -0.008 0.000 0.978 566 Y HN 0.109 nan 8.280 nan 0.000 0.513 567 L N -0.817 120.425 121.223 0.030 0.000 2.017 567 L HA -0.227 4.235 4.340 0.203 0.000 0.208 567 L C 2.462 179.417 176.870 0.143 0.000 1.073 567 L CA 1.278 56.139 54.840 0.036 0.000 0.745 567 L CB -0.917 41.249 42.059 0.177 0.000 0.894 567 L HN 0.333 nan 8.230 nan 0.000 0.432 568 L N -0.295 120.982 121.223 0.091 0.000 2.081 568 L HA -0.257 4.205 4.340 0.203 0.000 0.212 568 L C 2.374 179.279 176.870 0.058 0.000 1.080 568 L CA 1.744 56.573 54.840 -0.019 0.000 0.754 568 L CB -0.837 41.147 42.059 -0.126 0.000 0.893 568 L HN 0.276 nan 8.230 nan 0.000 0.433 569 C N -0.586 118.719 119.300 0.007 0.000 2.456 569 C HA 0.021 4.602 4.460 0.203 0.000 0.279 569 C C 2.512 177.516 174.990 0.022 0.000 1.427 569 C CA 0.899 59.926 59.018 0.015 0.000 1.778 569 C CB -1.326 26.381 27.740 -0.056 0.000 1.842 569 C HN 0.802 nan 8.230 nan 0.000 0.531 570 S N -2.572 113.114 115.700 -0.023 0.000 2.559 570 S HA 0.085 4.677 4.470 0.203 0.000 0.226 570 S C 0.185 174.826 174.600 0.069 0.000 1.000 570 S CA -0.405 57.773 58.200 -0.035 0.000 0.948 570 S CB -0.241 62.843 63.200 -0.194 0.000 0.870 570 S HN 0.641 nan 8.310 nan 0.000 0.497 571 W N 4.964 126.258 121.300 -0.010 0.000 2.210 571 W HA 0.264 5.046 4.660 0.203 0.000 0.330 571 W C -2.548 174.085 176.519 0.190 0.000 1.334 571 W CA -1.512 55.852 57.345 0.032 0.000 1.227 571 W CB 0.576 29.963 29.460 -0.123 0.000 1.178 571 W HN 0.134 nan 8.180 nan 0.000 0.560 572 P HA 0.035 nan 4.420 nan 0.000 0.272 572 P C -0.675 176.861 177.300 0.393 0.000 1.240 572 P CA 0.223 63.446 63.100 0.205 0.000 0.791 572 P CB 0.835 32.559 31.700 0.039 0.000 0.978 573 E N 0.317 120.611 120.200 0.158 0.000 2.398 573 E HA 0.182 4.654 4.350 0.203 0.000 0.263 573 E C -0.130 176.555 176.600 0.141 0.000 1.046 573 E CA -0.183 56.235 56.400 0.031 0.000 0.908 573 E CB 0.267 29.916 29.700 -0.086 0.000 0.963 573 E HN 0.338 nan 8.360 nan 0.000 0.431 574 L N 2.991 124.292 121.223 0.130 0.000 2.334 574 L HA 0.431 4.893 4.340 0.203 0.000 0.270 574 L C -2.199 174.708 176.870 0.063 0.000 1.018 574 L CA -2.455 52.477 54.840 0.155 0.000 0.811 574 L CB 1.024 43.214 42.059 0.218 0.000 1.271 574 L HN 0.239 nan 8.230 nan 0.000 0.443 575 P HA 0.032 nan 4.420 nan 0.000 0.272 575 P C 0.939 178.258 177.300 0.032 0.000 1.223 575 P CA -0.309 62.819 63.100 0.046 0.000 0.784 575 P CB 0.779 32.513 31.700 0.056 0.000 0.923 576 V N 2.279 122.211 119.914 0.031 0.000 2.277 576 V HA -0.278 3.964 4.120 0.203 0.000 0.253 576 V C 2.230 178.327 176.094 0.006 0.000 1.067 576 V CA 2.124 64.440 62.300 0.026 0.000 1.047 576 V CB -1.094 30.773 31.823 0.074 0.000 0.649 576 V HN 0.551 nan 8.190 nan 0.000 0.447 577 L N 0.043 121.286 121.223 0.033 0.000 2.013 577 L HA -0.180 4.282 4.340 0.203 0.000 0.212 577 L C 2.490 179.385 176.870 0.041 0.000 1.073 577 L CA 2.499 57.373 54.840 0.057 0.000 0.753 577 L CB -0.868 41.245 42.059 0.091 0.000 0.890 577 L HN 0.322 nan 8.230 nan 0.000 0.432 578 S N -0.413 115.300 115.700 0.022 0.000 2.368 578 S HA -0.101 4.491 4.470 0.203 0.000 0.224 578 S C 2.081 176.603 174.600 -0.130 0.000 1.029 578 S CA 1.008 59.187 58.200 -0.036 0.000 0.988 578 S CB -0.559 62.657 63.200 0.026 0.000 0.838 578 S HN 0.689 nan 8.310 nan 0.000 0.462 579 A N 1.440 124.210 122.820 -0.083 0.000 1.902 579 A HA -0.020 4.422 4.320 0.203 0.000 0.217 579 A C 2.089 179.583 177.584 -0.151 0.000 1.181 579 A CA 1.123 53.097 52.037 -0.105 0.000 0.623 579 A CB -0.732 18.214 19.000 -0.090 0.000 0.818 579 A HN 0.455 nan 8.150 nan 0.000 0.443 580 L N -0.859 120.268 121.223 -0.160 0.000 2.083 580 L HA -0.215 4.247 4.340 0.203 0.000 0.209 580 L C 2.669 179.382 176.870 -0.261 0.000 1.083 580 L CA 1.799 56.531 54.840 -0.180 0.000 0.752 580 L CB -0.408 41.534 42.059 -0.196 0.000 0.899 580 L HN 0.600 nan 8.230 nan 0.000 0.433 581 E N 0.559 120.452 120.200 -0.512 0.000 2.077 581 E HA -0.215 4.256 4.350 0.203 0.000 0.193 581 E C 2.244 178.664 176.600 -0.301 0.000 0.989 581 E CA 0.932 56.957 56.400 -0.625 0.000 0.800 581 E CB -0.008 29.134 29.700 -0.929 0.000 0.746 581 E HN 0.490 nan 8.360 nan 0.000 0.452 582 L N 0.747 121.734 121.223 -0.393 0.000 2.456 582 L HA -0.101 4.360 4.340 0.203 0.000 0.224 582 L C 2.075 178.855 176.870 -0.149 0.000 1.148 582 L CA 0.268 54.769 54.840 -0.566 0.000 0.825 582 L CB -0.112 41.663 42.059 -0.473 0.000 0.937 582 L HN 0.219 nan 8.230 nan 0.000 0.450 583 L N -0.868 120.340 121.223 -0.024 0.000 2.554 583 L HA 0.004 4.466 4.340 0.203 0.000 0.226 583 L C 0.764 177.757 176.870 0.204 0.000 1.137 583 L CA -0.192 54.699 54.840 0.085 0.000 0.863 583 L CB -0.330 41.757 42.059 0.047 0.000 0.985 583 L HN 0.191 nan 8.230 nan 0.000 0.451 584 D N -0.506 120.041 120.400 0.245 0.000 2.443 584 D HA -0.199 4.563 4.640 0.203 0.000 0.234 584 D C 0.929 177.262 176.300 0.055 0.000 1.172 584 D CA 0.175 54.301 54.000 0.210 0.000 0.878 584 D CB 0.558 41.489 40.800 0.218 0.000 1.204 584 D HN 0.023 nan 8.370 nan 0.000 0.453 585 F N 1.756 121.447 119.950 -0.431 0.000 2.408 585 F HA -0.073 4.576 4.527 0.203 0.000 0.300 585 F C 2.097 177.539 175.800 -0.597 0.000 1.090 585 F CA 0.814 58.361 58.000 -0.754 0.000 1.427 585 F CB -0.320 37.876 39.000 -1.340 0.000 1.070 585 F HN 0.259 nan 8.300 nan 0.000 0.549 586 S N -0.168 115.058 115.700 -0.790 0.000 2.584 586 S HA -0.080 4.512 4.470 0.203 0.000 0.240 586 S C 0.037 173.759 174.600 -1.464 0.000 0.975 586 S CA 0.460 57.967 58.200 -1.155 0.000 0.949 586 S CB -0.774 61.679 63.200 -1.244 0.000 0.761 586 S HN 0.301 nan 8.310 nan 0.000 0.536 587 F N 0.589 120.257 119.950 -0.471 0.000 2.646 587 F HA 0.338 4.987 4.527 0.203 0.000 0.336 587 F C -1.954 173.586 175.800 -0.433 0.000 1.437 587 F CA -2.285 55.470 58.000 -0.409 0.000 1.142 587 F CB 0.810 39.667 39.000 -0.238 0.000 1.530 587 F HN -0.073 nan 8.300 nan 0.000 0.591 588 P HA -0.137 nan 4.420 nan 0.000 0.219 588 P C 0.338 177.445 177.300 -0.321 0.000 1.150 588 P CA 0.836 63.630 63.100 -0.511 0.000 0.814 588 P CB 0.208 31.381 31.700 -0.878 0.000 0.787 589 D N 0.041 120.254 120.400 -0.311 0.000 2.583 589 D HA -0.094 4.667 4.640 0.203 0.000 0.232 589 D C 1.315 177.599 176.300 -0.025 0.000 1.128 589 D CA 0.092 54.040 54.000 -0.086 0.000 0.859 589 D CB 0.482 41.304 40.800 0.036 0.000 1.169 589 D HN 0.192 nan 8.370 nan 0.000 0.481 590 C N 3.131 122.396 119.300 -0.059 0.000 2.468 590 C HA 0.026 4.607 4.460 0.203 0.000 0.277 590 C C 2.218 177.150 174.990 -0.098 0.000 1.400 590 C CA -0.204 58.755 59.018 -0.098 0.000 1.770 590 C CB -1.593 26.056 27.740 -0.152 0.000 1.905 590 C HN 0.703 nan 8.230 nan 0.000 0.519 591 Y N 1.709 122.046 120.300 0.061 0.000 2.352 591 Y HA -0.026 4.645 4.550 0.203 0.000 0.292 591 Y C 2.709 178.666 175.900 0.095 0.000 1.136 591 Y CA 1.521 59.672 58.100 0.086 0.000 1.227 591 Y CB -0.507 38.017 38.460 0.107 0.000 0.991 591 Y HN 0.235 nan 8.280 nan 0.000 0.545 592 V N -1.127 118.907 119.914 0.200 0.000 2.535 592 V HA -0.117 4.125 4.120 0.203 0.000 0.246 592 V C 2.459 178.610 176.094 0.096 0.000 1.045 592 V CA 1.594 63.956 62.300 0.104 0.000 1.058 592 V CB -1.150 30.700 31.823 0.044 0.000 0.689 592 V HN 0.484 nan 8.190 nan 0.000 0.461 593 G N -0.874 107.963 108.800 0.062 0.000 2.433 593 G HA2 -0.287 3.795 3.960 0.203 0.000 0.216 593 G HA3 -0.287 3.795 3.960 0.203 0.000 0.216 593 G C 1.926 176.843 174.900 0.029 0.000 1.186 593 G CA 1.234 46.354 45.100 0.033 0.000 0.779 593 G HN 0.440 nan 8.290 nan 0.000 0.543 594 S N -0.243 115.485 115.700 0.045 0.000 2.374 594 S HA -0.152 4.440 4.470 0.203 0.000 0.227 594 S C 2.010 176.638 174.600 0.047 0.000 1.037 594 S CA 1.511 59.734 58.200 0.038 0.000 1.024 594 S CB -0.413 62.830 63.200 0.072 0.000 0.861 594 S HN 0.376 nan 8.310 nan 0.000 0.456 595 F N 1.948 121.887 119.950 -0.019 0.000 2.126 595 F HA -0.089 4.560 4.527 0.203 0.000 0.299 595 F C 2.220 177.964 175.800 -0.094 0.000 1.096 595 F CA 1.373 59.348 58.000 -0.043 0.000 1.255 595 F CB -0.658 38.307 39.000 -0.057 0.000 0.997 595 F HN 0.252 nan 8.300 nan 0.000 0.479 596 A N 0.591 123.443 122.820 0.053 0.000 1.873 596 A HA -0.111 4.331 4.320 0.203 0.000 0.215 596 A C 2.153 179.616 177.584 -0.201 0.000 1.186 596 A CA 1.594 53.599 52.037 -0.053 0.000 0.616 596 A CB -0.935 18.042 19.000 -0.038 0.000 0.823 596 A HN 0.369 nan 8.150 nan 0.000 0.442 597 I N 0.200 120.639 120.570 -0.218 0.000 2.208 597 I HA -0.237 4.055 4.170 0.203 0.000 0.245 597 I C 2.348 178.225 176.117 -0.401 0.000 1.097 597 I CA 2.011 63.081 61.300 -0.384 0.000 1.363 597 I CB -1.228 36.588 38.000 -0.306 0.000 1.051 597 I HN 0.432 nan 8.210 nan 0.000 0.413 598 K N 0.653 120.869 120.400 -0.306 0.000 2.097 598 K HA -0.134 4.308 4.320 0.203 0.000 0.206 598 K C 2.298 178.710 176.600 -0.314 0.000 1.049 598 K CA 1.571 57.684 56.287 -0.290 0.000 0.933 598 K CB 0.051 32.381 32.500 -0.284 0.000 0.717 598 K HN 0.079 nan 8.250 nan 0.000 0.442 599 S N 0.581 116.048 115.700 -0.388 0.000 2.428 599 S HA 0.043 4.635 4.470 0.203 0.000 0.230 599 S C 1.551 176.041 174.600 -0.184 0.000 1.014 599 S CA 0.554 58.581 58.200 -0.290 0.000 0.957 599 S CB 0.002 63.031 63.200 -0.285 0.000 0.784 599 S HN 0.278 nan 8.310 nan 0.000 0.499 600 L N 0.903 121.983 121.223 -0.238 0.000 2.395 600 L HA 0.072 4.534 4.340 0.203 0.000 0.218 600 L C 2.352 179.135 176.870 -0.146 0.000 1.130 600 L CA 0.433 55.151 54.840 -0.204 0.000 0.826 600 L CB -0.217 41.629 42.059 -0.355 0.000 0.941 600 L HN 0.226 nan 8.230 nan 0.000 0.451 601 R N 0.947 121.345 120.500 -0.170 0.000 2.127 601 R HA -0.195 4.266 4.340 0.203 0.000 0.238 601 R C 1.927 178.286 176.300 0.099 0.000 1.134 601 R CA 1.470 57.590 56.100 0.033 0.000 0.975 601 R CB -0.350 29.960 30.300 0.016 0.000 0.865 601 R HN 0.461 nan 8.270 nan 0.000 0.447 602 K N 1.048 121.469 120.400 0.036 0.000 2.555 602 K HA 0.004 4.446 4.320 0.203 0.000 0.193 602 K C 0.381 177.027 176.600 0.078 0.000 1.032 602 K CA 0.341 56.658 56.287 0.050 0.000 1.004 602 K CB -0.147 32.366 32.500 0.022 0.000 0.804 602 K HN 0.110 nan 8.250 nan 0.000 0.496 603 L N 3.725 125.018 121.223 0.117 0.000 2.559 603 L HA -0.026 4.435 4.340 0.203 0.000 0.274 603 L C 0.796 177.730 176.870 0.107 0.000 1.205 603 L CA -0.032 54.889 54.840 0.136 0.000 0.907 603 L CB 0.355 42.542 42.059 0.214 0.000 1.153 603 L HN 0.356 nan 8.230 nan 0.000 0.490 604 T N -1.343 113.249 114.554 0.063 0.000 2.813 604 T HA 0.041 4.513 4.350 0.203 0.000 0.297 604 T C 0.863 175.580 174.700 0.028 0.000 1.036 604 T CA -0.879 61.243 62.100 0.038 0.000 1.044 604 T CB 1.014 69.891 68.868 0.015 0.000 0.993 604 T HN 0.501 nan 8.240 nan 0.000 0.535 605 D N 0.649 121.061 120.400 0.019 0.000 2.149 605 D HA -0.100 4.662 4.640 0.203 0.000 0.198 605 D C 1.694 178.004 176.300 0.017 0.000 0.990 605 D CA 1.170 55.179 54.000 0.014 0.000 0.839 605 D CB -0.220 40.578 40.800 -0.002 0.000 0.948 605 D HN 0.609 nan 8.370 nan 0.000 0.460 606 D N 0.738 121.133 120.400 -0.008 0.000 2.117 606 D HA -0.130 4.632 4.640 0.203 0.000 0.197 606 D C 1.960 178.207 176.300 -0.088 0.000 0.987 606 D CA 0.798 54.793 54.000 -0.009 0.000 0.829 606 D CB -0.189 40.584 40.800 -0.044 0.000 0.961 606 D HN 0.386 nan 8.370 nan 0.000 0.460 607 E N -0.029 120.082 120.200 -0.149 0.000 2.072 607 E HA -0.143 4.329 4.350 0.203 0.000 0.191 607 E C 2.067 178.405 176.600 -0.437 0.000 0.985 607 E CA 0.201 56.378 56.400 -0.371 0.000 0.801 607 E CB -0.068 29.514 29.700 -0.196 0.000 0.750 607 E HN 0.062 nan 8.360 nan 0.000 0.452 608 L N 0.753 121.910 121.223 -0.111 0.000 1.990 608 L HA -0.210 4.252 4.340 0.203 0.000 0.213 608 L C 2.105 178.967 176.870 -0.012 0.000 1.072 608 L CA 1.733 56.578 54.840 0.009 0.000 0.755 608 L CB -0.808 41.294 42.059 0.072 0.000 0.889 608 L HN 0.117 nan 8.230 nan 0.000 0.432 609 F N 0.446 120.307 119.950 -0.149 0.000 2.120 609 F HA -0.299 4.350 4.527 0.202 0.000 0.300 609 F C 2.614 178.284 175.800 -0.217 0.000 1.095 609 F CA 2.149 60.057 58.000 -0.153 0.000 1.249 609 F CB -0.745 38.161 39.000 -0.156 0.000 0.995 609 F HN 0.349 nan 8.300 nan 0.000 0.480 610 Q N -0.508 118.989 119.800 -0.505 0.000 2.135 610 Q HA -0.220 4.242 4.340 0.203 0.000 0.204 610 Q C 1.133 176.848 176.000 -0.475 0.000 0.981 610 Q CA 2.060 57.464 55.803 -0.665 0.000 0.856 610 Q CB -0.517 27.782 28.738 -0.732 0.000 0.902 610 Q HN 0.583 nan 8.270 nan 0.000 0.425 611 Y N -1.224 118.962 120.300 -0.191 0.000 2.531 611 Y HA 0.200 4.872 4.550 0.203 0.000 0.249 611 Y C 1.098 176.933 175.900 -0.108 0.000 1.168 611 Y CA -0.692 57.319 58.100 -0.149 0.000 1.226 611 Y CB -0.303 38.107 38.460 -0.084 0.000 1.177 611 Y HN 0.077 nan 8.280 nan 0.000 0.527 612 L N 0.551 121.772 121.223 -0.002 0.000 1.990 612 L HA -0.242 4.220 4.340 0.203 0.000 0.213 612 L C 2.279 179.168 176.870 0.031 0.000 1.072 612 L CA 1.637 56.515 54.840 0.064 0.000 0.755 612 L CB -0.913 41.221 42.059 0.125 0.000 0.889 612 L HN 0.318 nan 8.230 nan 0.000 0.432 613 L N -0.718 120.450 121.223 -0.093 0.000 2.051 613 L HA -0.297 4.165 4.340 0.203 0.000 0.214 613 L C 2.421 179.165 176.870 -0.210 0.000 1.076 613 L CA 1.986 56.627 54.840 -0.332 0.000 0.758 613 L CB -0.793 41.039 42.059 -0.379 0.000 0.890 613 L HN 0.419 nan 8.230 nan 0.000 0.433 614 Q N -0.819 118.907 119.800 -0.122 0.000 2.049 614 Q HA -0.055 4.407 4.340 0.203 0.000 0.198 614 Q C 2.222 178.188 176.000 -0.058 0.000 0.971 614 Q CA 1.776 57.518 55.803 -0.101 0.000 0.833 614 Q CB -0.405 28.282 28.738 -0.085 0.000 0.896 614 Q HN 0.521 nan 8.270 nan 0.000 0.434 615 L N -0.524 120.702 121.223 0.006 0.000 2.079 615 L HA -0.195 4.267 4.340 0.203 0.000 0.210 615 L C 2.158 179.033 176.870 0.008 0.000 1.081 615 L CA 0.754 55.620 54.840 0.043 0.000 0.752 615 L CB -0.618 41.516 42.059 0.124 0.000 0.896 615 L HN 0.104 nan 8.230 nan 0.000 0.433 616 V N -0.662 119.239 119.914 -0.022 0.000 2.332 616 V HA -0.286 3.956 4.120 0.203 0.000 0.248 616 V C 2.610 178.666 176.094 -0.063 0.000 1.055 616 V CA 1.573 63.835 62.300 -0.064 0.000 1.038 616 V CB -0.495 31.270 31.823 -0.097 0.000 0.651 616 V HN 0.488 nan 8.190 nan 0.000 0.450 617 Q N -0.582 119.154 119.800 -0.108 0.000 2.124 617 Q HA -0.122 4.340 4.340 0.203 0.000 0.202 617 Q C 2.313 178.151 176.000 -0.271 0.000 0.977 617 Q CA 1.300 57.009 55.803 -0.157 0.000 0.850 617 Q CB -0.638 27.980 28.738 -0.199 0.000 0.901 617 Q HN 0.534 nan 8.270 nan 0.000 0.429 618 V N 1.218 120.995 119.914 -0.228 0.000 2.913 618 V HA -0.189 4.053 4.120 0.203 0.000 0.260 618 V C 2.192 178.209 176.094 -0.128 0.000 1.098 618 V CA 0.798 62.945 62.300 -0.254 0.000 1.121 618 V CB -0.491 31.322 31.823 -0.016 0.000 0.714 618 V HN 0.275 nan 8.190 nan 0.000 0.487 619 L N -0.595 120.601 121.223 -0.044 0.000 2.191 619 L HA -0.200 4.262 4.340 0.203 0.000 0.212 619 L C 2.415 179.279 176.870 -0.010 0.000 1.103 619 L CA 1.502 56.366 54.840 0.040 0.000 0.769 619 L CB -0.552 41.587 42.059 0.133 0.000 0.908 619 L HN 0.273 nan 8.230 nan 0.000 0.438 620 K N -1.030 119.289 120.400 -0.134 0.000 2.280 620 K HA -0.167 4.275 4.320 0.203 0.000 0.202 620 K C 1.865 178.354 176.600 -0.186 0.000 1.047 620 K CA 1.097 57.249 56.287 -0.225 0.000 0.942 620 K CB -0.077 32.219 32.500 -0.341 0.000 0.739 620 K HN 0.203 nan 8.250 nan 0.000 0.457 621 Y N 1.664 121.864 120.300 -0.167 0.000 2.395 621 Y HA 0.017 4.689 4.550 0.203 0.000 0.293 621 Y C 0.752 176.570 175.900 -0.138 0.000 1.123 621 Y CA 0.082 58.036 58.100 -0.243 0.000 1.227 621 Y CB -0.271 38.121 38.460 -0.114 0.000 1.012 621 Y HN -0.070 nan 8.280 nan 0.000 0.552 622 E N 0.188 120.434 120.200 0.078 0.000 2.481 622 E HA -0.043 4.429 4.350 0.203 0.000 0.263 622 E C 1.039 177.607 176.600 -0.055 0.000 0.992 622 E CA 0.298 56.724 56.400 0.042 0.000 0.938 622 E CB 0.996 30.726 29.700 0.051 0.000 0.933 622 E HN 0.128 nan 8.360 nan 0.000 0.453 623 S N 1.775 117.396 115.700 -0.132 0.000 2.458 623 S HA 0.021 4.613 4.470 0.203 0.000 0.223 623 S C -0.117 174.080 174.600 -0.672 0.000 1.019 623 S CA 0.587 58.531 58.200 -0.428 0.000 0.937 623 S CB 0.111 62.971 63.200 -0.568 0.000 0.788 623 S HN 0.377 nan 8.310 nan 0.000 0.511 624 Y N -0.795 119.528 120.300 0.037 0.000 2.605 624 Y HA 0.469 5.141 4.550 0.203 0.000 0.343 624 Y C 0.840 176.739 175.900 -0.001 0.000 1.036 624 Y CA -1.107 57.008 58.100 0.025 0.000 1.065 624 Y CB 0.740 39.245 38.460 0.075 0.000 1.288 624 Y HN -0.199 nan 8.280 nan 0.000 0.481 625 L N -0.159 121.134 121.223 0.116 0.000 2.044 625 L HA -0.038 4.423 4.340 0.203 0.000 0.205 625 L C 0.362 177.405 176.870 0.288 0.000 1.075 625 L CA 1.117 55.935 54.840 -0.037 0.000 0.747 625 L CB -0.082 41.754 42.059 -0.371 0.000 0.903 625 L HN 0.569 nan 8.230 nan 0.000 0.435 626 D N 0.339 120.991 120.400 0.420 0.000 2.343 626 D HA 0.253 5.015 4.640 0.203 0.000 0.255 626 D C -0.563 175.865 176.300 0.213 0.000 1.187 626 D CA -0.058 54.155 54.000 0.355 0.000 0.875 626 D CB 0.752 41.663 40.800 0.185 0.000 1.136 626 D HN 0.286 nan 8.370 nan 0.000 0.469 627 C N 2.062 121.459 119.300 0.161 0.000 3.311 627 C HA 0.440 5.022 4.460 0.203 0.000 0.325 627 C C 1.311 176.335 174.990 0.057 0.000 1.352 627 C CA -0.793 58.291 59.018 0.110 0.000 1.308 627 C CB 1.399 29.221 27.740 0.137 0.000 1.619 627 C HN 0.579 nan 8.230 nan 0.000 0.469 628 E N -0.024 120.196 120.200 0.035 0.000 2.077 628 E HA -0.177 4.295 4.350 0.203 0.000 0.193 628 E C 1.749 178.393 176.600 0.074 0.000 0.989 628 E CA 1.285 57.696 56.400 0.017 0.000 0.800 628 E CB -0.097 29.599 29.700 -0.006 0.000 0.746 628 E HN 0.706 nan 8.360 nan 0.000 0.452 629 L N 1.092 122.372 121.223 0.096 0.000 2.131 629 L HA -0.125 4.336 4.340 0.203 0.000 0.210 629 L C 2.144 179.128 176.870 0.190 0.000 1.092 629 L CA 1.701 56.637 54.840 0.161 0.000 0.759 629 L CB -0.581 41.555 42.059 0.128 0.000 0.903 629 L HN 0.010 nan 8.230 nan 0.000 0.435 630 T N -0.984 113.654 114.554 0.141 0.000 2.809 630 T HA -0.159 4.313 4.350 0.203 0.000 0.260 630 T C 1.842 176.594 174.700 0.087 0.000 1.039 630 T CA 1.457 63.640 62.100 0.139 0.000 1.141 630 T CB -0.076 68.920 68.868 0.214 0.000 0.869 630 T HN 0.192 nan 8.240 nan 0.000 0.437 631 K N 0.921 121.322 120.400 0.001 0.000 2.063 631 K HA -0.098 4.344 4.320 0.203 0.000 0.208 631 K C 1.881 178.498 176.600 0.029 0.000 1.048 631 K CA 1.262 57.451 56.287 -0.164 0.000 0.928 631 K CB -0.627 31.683 32.500 -0.317 0.000 0.713 631 K HN 0.259 nan 8.250 nan 0.000 0.442 632 F N 1.066 121.001 119.950 -0.025 0.000 2.046 632 F HA -0.138 4.511 4.527 0.203 0.000 0.297 632 F C 1.603 177.453 175.800 0.082 0.000 1.123 632 F CA 1.705 59.725 58.000 0.033 0.000 1.199 632 F CB -0.579 38.435 39.000 0.022 0.000 0.972 632 F HN 0.006 nan 8.300 nan 0.000 0.474 633 L N -0.571 120.608 121.223 -0.073 0.000 2.083 633 L HA -0.230 4.232 4.340 0.203 0.000 0.209 633 L C 2.428 179.260 176.870 -0.064 0.000 1.083 633 L CA 0.652 55.395 54.840 -0.162 0.000 0.752 633 L CB -0.774 41.287 42.059 0.004 0.000 0.899 633 L HN 0.243 nan 8.230 nan 0.000 0.433 634 L N 0.013 121.275 121.223 0.066 0.000 2.056 634 L HA -0.049 4.412 4.340 0.203 0.000 0.207 634 L C 2.514 179.515 176.870 0.218 0.000 1.078 634 L CA 1.993 56.945 54.840 0.187 0.000 0.749 634 L CB -1.478 40.734 42.059 0.255 0.000 0.901 634 L HN 0.171 nan 8.230 nan 0.000 0.433 635 G N -0.874 108.085 108.800 0.266 0.000 2.446 635 G HA2 -0.251 3.831 3.960 0.203 0.000 0.217 635 G HA3 -0.251 3.831 3.960 0.203 0.000 0.217 635 G C 1.717 176.625 174.900 0.014 0.000 1.168 635 G CA 0.408 45.635 45.100 0.211 0.000 0.771 635 G HN 0.226 nan 8.290 nan 0.000 0.551 636 R N 0.738 121.159 120.500 -0.131 0.000 2.073 636 R HA 0.101 4.562 4.340 0.203 0.000 0.229 636 R C 2.951 179.233 176.300 -0.029 0.000 1.120 636 R CA 1.204 57.203 56.100 -0.168 0.000 0.967 636 R CB -1.199 28.857 30.300 -0.406 0.000 0.862 636 R HN 0.344 nan 8.270 nan 0.000 0.436 637 A N 1.298 124.131 122.820 0.022 0.000 1.933 637 A HA -0.089 4.353 4.320 0.203 0.000 0.218 637 A C 2.314 180.075 177.584 0.294 0.000 1.175 637 A CA 1.102 53.219 52.037 0.134 0.000 0.628 637 A CB -0.519 18.538 19.000 0.095 0.000 0.814 637 A HN 0.187 nan 8.150 nan 0.000 0.444 638 L N -1.302 120.063 121.223 0.236 0.000 2.313 638 L HA -0.063 4.398 4.340 0.203 0.000 0.214 638 L C 2.784 179.719 176.870 0.109 0.000 1.119 638 L CA 0.747 55.686 54.840 0.164 0.000 0.809 638 L CB -0.270 41.797 42.059 0.012 0.000 0.933 638 L HN 0.446 nan 8.230 nan 0.000 0.449 639 A N -1.016 121.858 122.820 0.091 0.000 2.132 639 A HA -0.007 4.435 4.320 0.203 0.000 0.213 639 A C 0.818 178.542 177.584 0.233 0.000 1.154 639 A CA 0.432 52.519 52.037 0.084 0.000 0.753 639 A CB -0.055 18.950 19.000 0.008 0.000 0.826 639 A HN 0.365 nan 8.150 nan 0.000 0.469 640 N N -0.602 118.203 118.700 0.175 0.000 2.533 640 N HA 0.183 5.045 4.740 0.203 0.000 0.289 640 N C 0.198 175.616 175.510 -0.154 0.000 1.103 640 N CA -0.424 52.610 53.050 -0.027 0.000 0.877 640 N CB 1.179 39.644 38.487 -0.036 0.000 1.419 640 N HN 0.204 nan 8.380 nan 0.000 0.517 641 R N 2.390 122.523 120.500 -0.612 0.000 2.152 641 R HA -0.106 4.356 4.340 0.203 0.000 0.232 641 R C 1.600 177.767 176.300 -0.221 0.000 1.117 641 R CA 1.396 57.175 56.100 -0.534 0.000 0.981 641 R CB 0.289 29.955 30.300 -1.056 0.000 0.870 641 R HN 0.540 nan 8.270 nan 0.000 0.451 642 K N 0.535 120.813 120.400 -0.203 0.000 2.001 642 K HA -0.109 4.333 4.320 0.203 0.000 0.208 642 K C 1.914 178.592 176.600 0.129 0.000 1.048 642 K CA 1.331 57.578 56.287 -0.068 0.000 0.932 642 K CB -0.053 32.355 32.500 -0.153 0.000 0.715 642 K HN 0.015 nan 8.250 nan 0.000 0.437 643 I N 1.527 122.145 120.570 0.080 0.000 2.194 643 I HA -0.204 4.088 4.170 0.203 0.000 0.246 643 I C 2.482 178.681 176.117 0.137 0.000 1.093 643 I CA 1.867 63.263 61.300 0.161 0.000 1.355 643 I CB -1.912 36.135 38.000 0.079 0.000 1.046 643 I HN 0.477 nan 8.210 nan 0.000 0.413 644 G N -0.073 108.795 108.800 0.113 0.000 2.446 644 G HA2 -0.343 3.739 3.960 0.203 0.000 0.217 644 G HA3 -0.343 3.739 3.960 0.203 0.000 0.217 644 G C 1.623 176.519 174.900 -0.007 0.000 1.168 644 G CA 1.411 46.536 45.100 0.042 0.000 0.771 644 G HN 0.467 nan 8.290 nan 0.000 0.551 645 H N -0.001 119.142 119.070 0.122 0.000 2.265 645 H HA -0.120 4.558 4.556 0.202 0.000 0.293 645 H C 2.227 177.505 175.328 -0.084 0.000 1.089 645 H CA 2.289 58.341 56.048 0.006 0.000 1.244 645 H CB -0.330 29.333 29.762 -0.164 0.000 1.355 645 H HN 0.346 nan 8.280 nan 0.000 0.485 646 F N -0.709 119.367 119.950 0.209 0.000 2.325 646 F HA -0.032 4.617 4.527 0.203 0.000 0.299 646 F C 2.296 177.961 175.800 -0.224 0.000 1.090 646 F CA 0.619 58.638 58.000 0.032 0.000 1.392 646 F CB -0.424 38.669 39.000 0.156 0.000 1.053 646 F HN 0.221 nan 8.300 nan 0.000 0.521 647 L N -0.308 120.925 121.223 0.016 0.000 2.017 647 L HA -0.209 4.252 4.340 0.203 0.000 0.208 647 L C 2.314 179.052 176.870 -0.219 0.000 1.073 647 L CA 1.669 56.456 54.840 -0.089 0.000 0.745 647 L CB -1.140 40.839 42.059 -0.134 0.000 0.894 647 L HN 0.167 nan 8.230 nan 0.000 0.432 648 F N -0.617 119.066 119.950 -0.445 0.000 2.063 648 F HA -0.301 4.347 4.527 0.202 0.000 0.298 648 F C 1.913 177.451 175.800 -0.436 0.000 1.109 648 F CA 2.179 59.844 58.000 -0.559 0.000 1.212 648 F CB -0.881 37.642 39.000 -0.795 0.000 0.973 648 F HN 0.164 nan 8.300 nan 0.000 0.480 649 W N -0.605 120.443 121.300 -0.420 0.000 2.436 649 W HA -0.141 4.641 4.660 0.203 0.000 0.284 649 W C 2.664 179.046 176.519 -0.229 0.000 1.225 649 W CA 0.940 58.052 57.345 -0.389 0.000 1.271 649 W CB -0.445 28.898 29.460 -0.194 0.000 1.114 649 W HN 0.084 nan 8.180 nan 0.000 0.559 650 H N 0.130 119.218 119.070 0.031 0.000 2.353 650 H HA -0.126 4.552 4.556 0.203 0.000 0.300 650 H C 2.161 177.375 175.328 -0.191 0.000 1.090 650 H CA 1.594 57.621 56.048 -0.035 0.000 1.327 650 H CB -0.887 28.843 29.762 -0.053 0.000 1.383 650 H HN 0.202 nan 8.280 nan 0.000 0.508 651 L N -0.065 120.984 121.223 -0.289 0.000 1.988 651 L HA -0.120 4.342 4.340 0.203 0.000 0.207 651 L C 2.727 179.450 176.870 -0.245 0.000 1.071 651 L CA 1.214 55.760 54.840 -0.490 0.000 0.744 651 L CB -0.409 41.296 42.059 -0.589 0.000 0.893 651 L HN 0.100 nan 8.230 nan 0.000 0.433 652 R N 1.121 121.295 120.500 -0.543 0.000 2.117 652 R HA -0.188 4.274 4.340 0.203 0.000 0.243 652 R C 2.437 178.727 176.300 -0.017 0.000 1.143 652 R CA 2.029 57.849 56.100 -0.467 0.000 0.968 652 R CB -0.830 28.826 30.300 -1.074 0.000 0.863 652 R HN 0.522 nan 8.270 nan 0.000 0.444 653 S N -0.901 114.865 115.700 0.109 0.000 2.481 653 S HA -0.043 4.549 4.470 0.203 0.000 0.231 653 S C 1.123 175.886 174.600 0.273 0.000 0.996 653 S CA 0.963 59.306 58.200 0.238 0.000 0.942 653 S CB -0.055 63.295 63.200 0.250 0.000 0.768 653 S HN 0.517 nan 8.310 nan 0.000 0.520 654 E N 0.113 120.445 120.200 0.219 0.000 2.451 654 E HA 0.294 4.766 4.350 0.203 0.000 0.194 654 E C 0.956 177.517 176.600 -0.065 0.000 1.027 654 E CA -0.279 56.174 56.400 0.087 0.000 0.914 654 E CB 0.115 29.916 29.700 0.170 0.000 1.054 654 E HN 0.407 nan 8.360 nan 0.000 0.461 655 M N 0.537 120.186 119.600 0.083 0.000 2.476 655 M HA -0.079 4.522 4.480 0.203 0.000 0.262 655 M C 1.715 178.020 176.300 0.007 0.000 1.079 655 M CA 1.152 56.480 55.300 0.048 0.000 1.104 655 M CB -0.658 31.999 32.600 0.094 0.000 1.409 655 M HN 0.352 nan 8.290 nan 0.000 0.467 656 H N -0.761 118.332 119.070 0.038 0.000 2.556 656 H HA 0.180 4.859 4.556 0.204 0.000 0.268 656 H C -0.153 175.185 175.328 0.016 0.000 0.996 656 H CA 0.227 56.293 56.048 0.030 0.000 1.157 656 H CB -0.770 29.015 29.762 0.038 0.000 1.355 656 H HN 0.081 nan 8.280 nan 0.000 0.597 657 V N 3.677 123.315 119.914 -0.459 0.000 2.304 657 V HA 0.109 4.351 4.120 0.203 0.000 0.269 657 V C -1.417 174.570 176.094 -0.178 0.000 1.036 657 V CA -1.272 60.820 62.300 -0.347 0.000 0.840 657 V CB 1.578 33.127 31.823 -0.457 0.000 1.036 657 V HN 0.114 nan 8.190 nan 0.000 0.466 658 P HA -0.225 nan 4.420 nan 0.000 0.216 658 P C 1.934 179.299 177.300 0.109 0.000 1.157 658 P CA 2.039 65.197 63.100 0.097 0.000 0.880 658 P CB 0.137 32.005 31.700 0.279 0.000 0.791 659 S N -1.268 114.416 115.700 -0.027 0.000 2.442 659 S HA -0.107 4.484 4.470 0.203 0.000 0.236 659 S C 1.731 176.180 174.600 -0.252 0.000 1.007 659 S CA 1.455 59.527 58.200 -0.213 0.000 0.965 659 S CB -1.465 61.323 63.200 -0.687 0.000 0.773 659 S HN 0.192 nan 8.310 nan 0.000 0.504 660 V N -2.598 117.099 119.914 -0.362 0.000 3.635 660 V HA 0.621 4.863 4.120 0.203 0.000 0.266 660 V C 2.363 178.178 176.094 -0.464 0.000 1.316 660 V CA 0.302 62.235 62.300 -0.612 0.000 1.060 660 V CB -0.749 30.351 31.823 -1.206 0.000 0.820 660 V HN 0.402 nan 8.190 nan 0.000 0.447 661 A N 1.729 124.404 122.820 -0.240 0.000 1.881 661 A HA -0.279 4.163 4.320 0.203 0.000 0.219 661 A C 2.133 179.729 177.584 0.019 0.000 1.215 661 A CA 2.829 54.822 52.037 -0.074 0.000 0.648 661 A CB -0.892 18.093 19.000 -0.026 0.000 0.832 661 A HN 0.707 nan 8.150 nan 0.000 0.455 662 L N -0.368 120.864 121.223 0.015 0.000 1.970 662 L HA -0.183 4.278 4.340 0.203 0.000 0.212 662 L C 2.547 179.388 176.870 -0.048 0.000 1.071 662 L CA 2.764 57.639 54.840 0.058 0.000 0.751 662 L CB -0.724 41.343 42.059 0.013 0.000 0.889 662 L HN 0.526 nan 8.230 nan 0.000 0.432 663 R N -1.288 119.144 120.500 -0.112 0.000 2.122 663 R HA -0.245 4.217 4.340 0.203 0.000 0.236 663 R C 2.308 178.662 176.300 0.090 0.000 1.129 663 R CA 2.409 58.439 56.100 -0.116 0.000 0.925 663 R CB -0.603 29.648 30.300 -0.082 0.000 0.850 663 R HN 0.348 nan 8.270 nan 0.000 0.431 664 F N 0.420 120.309 119.950 -0.102 0.000 2.091 664 F HA -0.073 4.576 4.527 0.202 0.000 0.299 664 F C 2.555 178.342 175.800 -0.022 0.000 1.103 664 F CA 1.340 59.300 58.000 -0.067 0.000 1.228 664 F CB -1.503 37.452 39.000 -0.075 0.000 0.984 664 F HN 0.301 nan 8.300 nan 0.000 0.477 665 G N 0.253 109.194 108.800 0.234 0.000 2.476 665 G HA2 -0.248 3.834 3.960 0.203 0.000 0.218 665 G HA3 -0.248 3.834 3.960 0.203 0.000 0.218 665 G C 1.849 176.881 174.900 0.220 0.000 1.164 665 G CA 1.028 46.303 45.100 0.292 0.000 0.768 665 G HN 0.373 nan 8.290 nan 0.000 0.560 666 L N -0.143 121.048 121.223 -0.054 0.000 2.201 666 L HA 0.066 4.528 4.340 0.203 0.000 0.212 666 L C 2.768 179.713 176.870 0.125 0.000 1.105 666 L CA 0.373 55.074 54.840 -0.230 0.000 0.775 666 L CB -0.259 41.445 42.059 -0.590 0.000 0.913 666 L HN 0.219 nan 8.230 nan 0.000 0.440 667 I N -0.874 119.779 120.570 0.140 0.000 2.277 667 I HA -0.252 4.039 4.170 0.203 0.000 0.243 667 I C 2.562 178.799 176.117 0.201 0.000 1.094 667 I CA 1.178 62.612 61.300 0.223 0.000 1.393 667 I CB -0.119 37.962 38.000 0.135 0.000 1.078 667 I HN 0.197 nan 8.210 nan 0.000 0.417 668 M N 0.118 119.812 119.600 0.157 0.000 2.108 668 M HA -0.262 4.340 4.480 0.203 0.000 0.261 668 M C 2.311 178.769 176.300 0.263 0.000 1.066 668 M CA 1.785 57.213 55.300 0.213 0.000 1.107 668 M CB -0.456 32.244 32.600 0.168 0.000 1.356 668 M HN 0.230 nan 8.290 nan 0.000 0.406 669 E N 0.470 120.811 120.200 0.236 0.000 2.049 669 E HA -0.257 4.215 4.350 0.203 0.000 0.198 669 E C 1.904 178.615 176.600 0.183 0.000 1.007 669 E CA 1.675 58.206 56.400 0.219 0.000 0.809 669 E CB -0.048 29.801 29.700 0.250 0.000 0.749 669 E HN 0.489 nan 8.360 nan 0.000 0.450 670 A N 0.568 123.507 122.820 0.198 0.000 1.873 670 A HA -0.263 4.179 4.320 0.203 0.000 0.218 670 A C 2.127 179.807 177.584 0.161 0.000 1.193 670 A CA 1.892 54.026 52.037 0.162 0.000 0.629 670 A CB -1.328 17.774 19.000 0.170 0.000 0.826 670 A HN 0.627 nan 8.150 nan 0.000 0.447 671 Y N 0.327 120.681 120.300 0.090 0.000 2.102 671 Y HA -0.356 4.316 4.550 0.203 0.000 0.280 671 Y C 2.678 178.607 175.900 0.047 0.000 1.178 671 Y CA 1.603 59.746 58.100 0.072 0.000 1.146 671 Y CB -0.963 37.544 38.460 0.079 0.000 0.968 671 Y HN 0.412 nan 8.280 nan 0.000 0.504 672 C N 0.753 120.080 119.300 0.044 0.000 2.413 672 C HA -0.183 4.399 4.460 0.203 0.000 0.276 672 C C 2.684 177.620 174.990 -0.089 0.000 1.236 672 C CA 1.183 60.162 59.018 -0.065 0.000 1.735 672 C CB -1.129 26.630 27.740 0.032 0.000 2.031 672 C HN 0.517 nan 8.230 nan 0.000 0.474 673 R N 0.539 121.023 120.500 -0.026 0.000 2.170 673 R HA -0.104 4.357 4.340 0.203 0.000 0.242 673 R C 2.212 178.467 176.300 -0.075 0.000 1.145 673 R CA 1.663 57.747 56.100 -0.027 0.000 0.984 673 R CB -1.044 29.261 30.300 0.008 0.000 0.869 673 R HN 0.662 nan 8.270 nan 0.000 0.455 674 G N -0.952 107.768 108.800 -0.133 0.000 2.777 674 G HA2 -0.066 4.015 3.960 0.203 0.000 0.211 674 G HA3 -0.066 4.015 3.960 0.203 0.000 0.211 674 G C 0.372 175.124 174.900 -0.247 0.000 1.149 674 G CA 0.030 45.019 45.100 -0.185 0.000 0.785 674 G HN 0.211 nan 8.290 nan 0.000 0.536 675 S N -0.454 115.070 115.700 -0.294 0.000 2.386 675 S HA 0.341 4.932 4.470 0.203 0.000 0.152 675 S C 1.263 175.812 174.600 -0.084 0.000 1.511 675 S CA -0.280 57.798 58.200 -0.203 0.000 1.246 675 S CB 0.159 63.191 63.200 -0.280 0.000 1.338 675 S HN 0.089 nan 8.310 nan 0.000 0.409 676 T N 2.795 117.332 114.554 -0.029 0.000 2.624 676 T HA -0.203 4.269 4.350 0.203 0.000 0.268 676 T C 1.688 176.420 174.700 0.053 0.000 1.041 676 T CA 1.834 63.937 62.100 0.004 0.000 1.159 676 T CB -0.512 68.364 68.868 0.014 0.000 0.863 676 T HN 0.759 nan 8.240 nan 0.000 0.434 677 H N 0.282 119.370 119.070 0.030 0.000 2.319 677 H HA -0.129 4.549 4.556 0.203 0.000 0.299 677 H C 2.272 177.677 175.328 0.129 0.000 1.092 677 H CA 2.140 58.233 56.048 0.076 0.000 1.302 677 H CB -0.580 29.244 29.762 0.104 0.000 1.373 677 H HN 0.614 nan 8.280 nan 0.000 0.497 678 H N -0.142 119.037 119.070 0.182 0.000 2.422 678 H HA -0.138 4.540 4.556 0.203 0.000 0.298 678 H C 2.671 177.971 175.328 -0.047 0.000 1.098 678 H CA 1.105 57.216 56.048 0.106 0.000 1.315 678 H CB 0.077 29.903 29.762 0.107 0.000 1.382 678 H HN 0.382 nan 8.280 nan 0.000 0.523 679 M N 0.920 120.485 119.600 -0.058 0.000 2.080 679 M HA -0.225 4.376 4.480 0.203 0.000 0.260 679 M C 2.037 178.234 176.300 -0.172 0.000 1.068 679 M CA 1.924 57.113 55.300 -0.186 0.000 1.109 679 M CB -0.016 32.513 32.600 -0.120 0.000 1.342 679 M HN 0.056 nan 8.290 nan 0.000 0.405 680 K N -0.256 120.069 120.400 -0.125 0.000 2.074 680 K HA -0.145 4.297 4.320 0.203 0.000 0.209 680 K C 1.736 178.279 176.600 -0.096 0.000 1.048 680 K CA 1.847 58.060 56.287 -0.124 0.000 0.926 680 K CB -0.382 32.009 32.500 -0.182 0.000 0.713 680 K HN 0.291 nan 8.250 nan 0.000 0.444 681 V N 1.181 121.058 119.914 -0.062 0.000 2.358 681 V HA -0.216 4.026 4.120 0.203 0.000 0.246 681 V C 2.025 178.131 176.094 0.019 0.000 1.047 681 V CA 1.577 63.909 62.300 0.054 0.000 1.035 681 V CB -0.391 31.587 31.823 0.259 0.000 0.658 681 V HN 0.261 nan 8.190 nan 0.000 0.452 682 L N -1.173 119.959 121.223 -0.152 0.000 2.093 682 L HA -0.153 4.309 4.340 0.203 0.000 0.208 682 L C 2.484 179.263 176.870 -0.151 0.000 1.085 682 L CA 1.449 56.109 54.840 -0.299 0.000 0.755 682 L CB -0.537 40.966 42.059 -0.926 0.000 0.904 682 L HN 0.284 nan 8.230 nan 0.000 0.435 683 M N -0.295 119.229 119.600 -0.127 0.000 2.213 683 M HA -0.186 4.416 4.480 0.203 0.000 0.263 683 M C 2.270 178.583 176.300 0.022 0.000 1.062 683 M CA 1.362 56.637 55.300 -0.041 0.000 1.105 683 M CB -0.275 32.299 32.600 -0.043 0.000 1.385 683 M HN 0.010 nan 8.290 nan 0.000 0.417 684 K N 0.848 121.262 120.400 0.023 0.000 2.147 684 K HA -0.138 4.304 4.320 0.203 0.000 0.205 684 K C 1.745 178.402 176.600 0.095 0.000 1.049 684 K CA 1.662 57.980 56.287 0.053 0.000 0.936 684 K CB -0.141 32.391 32.500 0.053 0.000 0.722 684 K HN 0.401 nan 8.250 nan 0.000 0.446 685 Q N -1.186 118.705 119.800 0.151 0.000 2.083 685 Q HA 0.016 4.477 4.340 0.203 0.000 0.198 685 Q C 2.086 178.252 176.000 0.277 0.000 0.969 685 Q CA 1.383 57.332 55.803 0.244 0.000 0.838 685 Q CB -0.308 28.688 28.738 0.431 0.000 0.900 685 Q HN 0.498 nan 8.270 nan 0.000 0.436 686 G N 1.214 110.197 108.800 0.305 0.000 2.446 686 G HA2 -0.298 3.784 3.960 0.203 0.000 0.217 686 G HA3 -0.298 3.784 3.960 0.203 0.000 0.217 686 G C 1.025 176.015 174.900 0.151 0.000 1.168 686 G CA 1.009 46.280 45.100 0.286 0.000 0.771 686 G HN 0.341 nan 8.290 nan 0.000 0.551 687 E N 0.658 120.909 120.200 0.086 0.000 2.110 687 E HA -0.013 4.459 4.350 0.203 0.000 0.193 687 E C 2.838 179.438 176.600 -0.001 0.000 0.988 687 E CA 0.846 57.261 56.400 0.025 0.000 0.804 687 E CB -0.211 29.490 29.700 0.002 0.000 0.745 687 E HN 0.426 nan 8.360 nan 0.000 0.458 688 A N 0.878 123.718 122.820 0.032 0.000 1.930 688 A HA -0.120 4.321 4.320 0.203 0.000 0.217 688 A C 2.138 179.701 177.584 -0.035 0.000 1.175 688 A CA 0.999 53.038 52.037 0.004 0.000 0.627 688 A CB -0.434 18.594 19.000 0.046 0.000 0.815 688 A HN 0.144 nan 8.150 nan 0.000 0.443 689 L N -1.105 120.133 121.223 0.025 0.000 2.179 689 L HA -0.063 4.399 4.340 0.203 0.000 0.208 689 L C 2.825 179.681 176.870 -0.023 0.000 1.096 689 L CA 1.100 55.951 54.840 0.019 0.000 0.779 689 L CB -0.268 41.891 42.059 0.166 0.000 0.922 689 L HN 0.468 nan 8.230 nan 0.000 0.443 690 S N -0.205 115.500 115.700 0.008 0.000 2.356 690 S HA -0.158 4.433 4.470 0.203 0.000 0.223 690 S C 2.158 176.701 174.600 -0.094 0.000 1.032 690 S CA 1.188 59.381 58.200 -0.010 0.000 1.005 690 S CB 0.033 63.233 63.200 -0.001 0.000 0.867 690 S HN 0.209 nan 8.310 nan 0.000 0.449 691 K N 1.153 121.453 120.400 -0.167 0.000 2.057 691 K HA 0.033 4.475 4.320 0.203 0.000 0.207 691 K C 2.143 178.663 176.600 -0.133 0.000 1.049 691 K CA 0.988 57.120 56.287 -0.258 0.000 0.931 691 K CB -0.958 31.296 32.500 -0.409 0.000 0.714 691 K HN 0.423 nan 8.250 nan 0.000 0.440 692 L N 0.978 122.036 121.223 -0.275 0.000 2.013 692 L HA -0.251 4.211 4.340 0.203 0.000 0.212 692 L C 2.549 179.053 176.870 -0.610 0.000 1.073 692 L CA 1.449 55.938 54.840 -0.585 0.000 0.753 692 L CB -0.527 40.878 42.059 -1.089 0.000 0.890 692 L HN 0.115 nan 8.230 nan 0.000 0.432 693 K N 0.610 120.764 120.400 -0.410 0.000 2.063 693 K HA -0.176 4.266 4.320 0.203 0.000 0.208 693 K C 1.957 178.597 176.600 0.066 0.000 1.048 693 K CA 1.789 58.087 56.287 0.019 0.000 0.928 693 K CB -0.411 32.180 32.500 0.151 0.000 0.713 693 K HN 0.255 nan 8.250 nan 0.000 0.442 694 A N 0.407 123.255 122.820 0.047 0.000 1.898 694 A HA -0.074 4.367 4.320 0.203 0.000 0.216 694 A C 2.116 179.802 177.584 0.169 0.000 1.181 694 A CA 1.507 53.614 52.037 0.117 0.000 0.620 694 A CB -0.692 18.383 19.000 0.124 0.000 0.819 694 A HN 0.362 nan 8.150 nan 0.000 0.442 695 L N 0.348 121.669 121.223 0.164 0.000 2.056 695 L HA -0.115 4.347 4.340 0.203 0.000 0.207 695 L C 1.968 178.925 176.870 0.144 0.000 1.078 695 L CA 2.197 57.127 54.840 0.150 0.000 0.749 695 L CB -0.825 41.301 42.059 0.111 0.000 0.901 695 L HN 0.412 nan 8.230 nan 0.000 0.433 696 N N -0.238 118.530 118.700 0.113 0.000 2.188 696 N HA -0.180 4.682 4.740 0.203 0.000 0.184 696 N C 1.449 177.015 175.510 0.092 0.000 1.018 696 N CA 1.367 54.499 53.050 0.137 0.000 0.858 696 N CB -0.122 38.533 38.487 0.282 0.000 0.989 696 N HN 0.361 nan 8.380 nan 0.000 0.426 697 D N -0.345 120.123 120.400 0.114 0.000 2.144 697 D HA -0.140 4.622 4.640 0.203 0.000 0.199 697 D C 1.653 177.979 176.300 0.045 0.000 0.984 697 D CA 0.507 54.553 54.000 0.076 0.000 0.834 697 D CB -0.442 40.415 40.800 0.095 0.000 0.955 697 D HN 0.298 nan 8.370 nan 0.000 0.465 698 F N 1.439 121.372 119.950 -0.029 0.000 2.075 698 F HA -0.229 4.275 4.527 -0.037 0.000 0.297 698 F C 2.194 177.922 175.800 -0.120 0.000 1.113 698 F CA 1.098 59.061 58.000 -0.062 0.000 1.218 698 F CB -0.460 38.501 39.000 -0.065 0.000 0.984 698 F HN -0.211 nan 8.300 nan 0.000 0.472 699 V N 1.065 120.861 119.914 -0.197 0.000 2.250 699 V HA -0.407 3.835 4.120 0.203 0.000 0.250 699 V C 2.369 178.196 176.094 -0.445 0.000 1.060 699 V CA 2.655 64.685 62.300 -0.451 0.000 1.030 699 V CB -0.891 30.653 31.823 -0.465 0.000 0.643 699 V HN 0.342 nan 8.190 nan 0.000 0.445 700 K N -0.503 119.747 120.400 -0.250 0.000 2.057 700 K HA -0.107 4.335 4.320 0.203 0.000 0.206 700 K C 2.051 178.543 176.600 -0.181 0.000 1.050 700 K CA 1.290 57.478 56.287 -0.165 0.000 0.935 700 K CB -0.503 31.956 32.500 -0.069 0.000 0.715 700 K HN 0.307 nan 8.250 nan 0.000 0.439 701 V N 1.106 120.894 119.914 -0.210 0.000 2.255 701 V HA -0.295 3.946 4.120 0.203 0.000 0.247 701 V C 2.531 178.469 176.094 -0.260 0.000 1.051 701 V CA 2.269 64.450 62.300 -0.198 0.000 1.018 701 V CB -0.436 31.281 31.823 -0.177 0.000 0.641 701 V HN 0.445 nan 8.190 nan 0.000 0.445 702 S N 0.533 115.963 115.700 -0.449 0.000 2.355 702 S HA -0.178 4.414 4.470 0.203 0.000 0.222 702 S C 2.252 176.693 174.600 -0.265 0.000 1.031 702 S CA 1.954 59.882 58.200 -0.454 0.000 0.993 702 S CB -0.513 62.160 63.200 -0.879 0.000 0.859 702 S HN 0.784 nan 8.310 nan 0.000 0.453 703 S N 0.722 116.266 115.700 -0.260 0.000 2.440 703 S HA -0.084 4.507 4.470 0.203 0.000 0.238 703 S C 1.693 176.261 174.600 -0.053 0.000 1.010 703 S CA 0.920 59.057 58.200 -0.104 0.000 0.972 703 S CB -0.689 62.468 63.200 -0.073 0.000 0.774 703 S HN 0.708 nan 8.310 nan 0.000 0.501 704 Q N 0.265 120.014 119.800 -0.085 0.000 2.415 704 Q HA 0.218 4.680 4.340 0.203 0.000 0.206 704 Q C 0.711 176.681 176.000 -0.050 0.000 0.946 704 Q CA 0.420 56.191 55.803 -0.053 0.000 0.951 704 Q CB 0.106 28.809 28.738 -0.058 0.000 1.026 704 Q HN 0.598 nan 8.270 nan 0.000 0.510 705 K N -1.486 118.879 120.400 -0.059 0.000 2.608 705 K HA 0.145 4.586 4.320 0.203 0.000 0.209 705 K C -0.330 176.248 176.600 -0.038 0.000 1.369 705 K CA 0.062 56.320 56.287 -0.048 0.000 1.029 705 K CB 1.757 34.220 32.500 -0.062 0.000 1.139 705 K HN -0.136 nan 8.250 nan 0.000 0.623 706 T N 0.261 114.796 114.554 -0.032 0.000 2.802 706 T HA 0.178 4.650 4.350 0.203 0.000 0.311 706 T C -1.358 173.346 174.700 0.007 0.000 1.405 706 T CA -0.566 61.524 62.100 -0.016 0.000 1.016 706 T CB 1.495 70.348 68.868 -0.025 0.000 1.352 706 T HN 0.174 nan 8.240 nan 0.000 0.498 707 T N 0.680 115.242 114.554 0.012 0.000 2.913 707 T HA 0.341 4.812 4.350 0.203 0.000 0.297 707 T C 1.394 176.123 174.700 0.048 0.000 1.029 707 T CA -0.400 61.711 62.100 0.020 0.000 1.104 707 T CB 1.054 69.924 68.868 0.003 0.000 0.964 707 T HN 0.765 nan 8.240 nan 0.000 0.532 708 K N 2.145 122.575 120.400 0.051 0.000 2.052 708 K HA -0.153 4.289 4.320 0.203 0.000 0.215 708 K C -0.892 175.744 176.600 0.060 0.000 1.053 708 K CA 2.001 58.333 56.287 0.074 0.000 0.934 708 K CB -1.329 31.113 32.500 -0.095 0.000 0.717 708 K HN 0.476 nan 8.250 nan 0.000 0.450 709 P HA -0.204 nan 4.420 nan 0.000 0.215 709 P C 0.950 178.258 177.300 0.013 0.000 1.163 709 P CA 1.702 64.798 63.100 -0.006 0.000 0.894 709 P CB -0.025 31.667 31.700 -0.013 0.000 0.791 710 Q N -1.288 118.526 119.800 0.023 0.000 2.077 710 Q HA -0.150 4.312 4.340 0.203 0.000 0.206 710 Q C 2.093 178.119 176.000 0.042 0.000 0.989 710 Q CA 2.283 58.101 55.803 0.026 0.000 0.853 710 Q CB -0.847 27.902 28.738 0.019 0.000 0.907 710 Q HN 0.279 nan 8.270 nan 0.000 0.418 711 T N 0.674 115.270 114.554 0.071 0.000 2.821 711 T HA -0.151 4.321 4.350 0.203 0.000 0.267 711 T C 1.652 176.415 174.700 0.104 0.000 1.046 711 T CA 1.394 63.532 62.100 0.063 0.000 1.139 711 T CB -0.123 68.751 68.868 0.010 0.000 0.871 711 T HN 0.255 nan 8.240 nan 0.000 0.454 712 K N 1.109 121.601 120.400 0.154 0.000 2.032 712 K HA -0.176 4.265 4.320 0.203 0.000 0.209 712 K C 2.308 178.735 176.600 -0.289 0.000 1.048 712 K CA 1.404 57.690 56.287 -0.003 0.000 0.927 712 K CB -0.090 32.395 32.500 -0.025 0.000 0.712 712 K HN -0.014 nan 8.250 nan 0.000 0.441 713 E N 0.497 120.608 120.200 -0.147 0.000 2.085 713 E HA -0.192 4.279 4.350 0.203 0.000 0.194 713 E C 1.857 178.434 176.600 -0.038 0.000 0.994 713 E CA 1.421 57.759 56.400 -0.103 0.000 0.801 713 E CB -0.200 29.490 29.700 -0.018 0.000 0.743 713 E HN 0.265 nan 8.360 nan 0.000 0.453 714 M N -0.390 119.228 119.600 0.031 0.000 2.117 714 M HA -0.071 4.531 4.480 0.203 0.000 0.262 714 M C 2.246 178.572 176.300 0.042 0.000 1.065 714 M CA 1.426 56.791 55.300 0.108 0.000 1.114 714 M CB -0.545 32.246 32.600 0.319 0.000 1.361 714 M HN 0.259 nan 8.290 nan 0.000 0.408 715 M N -1.311 118.337 119.600 0.081 0.000 2.080 715 M HA -0.278 4.324 4.480 0.203 0.000 0.260 715 M C 1.977 178.289 176.300 0.021 0.000 1.068 715 M CA 1.928 57.254 55.300 0.044 0.000 1.109 715 M CB -0.472 32.175 32.600 0.078 0.000 1.342 715 M HN 0.384 nan 8.290 nan 0.000 0.405 716 H N -0.329 118.725 119.070 -0.026 0.000 2.353 716 H HA -0.140 4.545 4.556 0.214 0.000 0.300 716 H C 2.171 177.434 175.328 -0.110 0.000 1.090 716 H CA 1.670 57.685 56.048 -0.055 0.000 1.327 716 H CB -0.134 29.619 29.762 -0.016 0.000 1.383 716 H HN 0.473 nan 8.280 nan 0.000 0.508 717 M N -0.108 119.496 119.600 0.006 0.000 2.117 717 M HA -0.194 4.408 4.480 0.203 0.000 0.262 717 M C 2.815 178.995 176.300 -0.200 0.000 1.065 717 M CA 0.896 56.147 55.300 -0.081 0.000 1.114 717 M CB -0.566 31.983 32.600 -0.085 0.000 1.361 717 M HN 0.410 nan 8.290 nan 0.000 0.408 718 C N 1.289 120.388 119.300 -0.335 0.000 2.413 718 C HA -0.162 4.420 4.460 0.203 0.000 0.276 718 C C 2.776 177.381 174.990 -0.641 0.000 1.236 718 C CA 1.064 59.739 59.018 -0.571 0.000 1.735 718 C CB -0.733 26.539 27.740 -0.780 0.000 2.031 718 C HN 0.541 nan 8.230 nan 0.000 0.474 719 M N -0.223 119.128 119.600 -0.415 0.000 2.213 719 M HA -0.087 4.515 4.480 0.203 0.000 0.263 719 M C 2.258 178.479 176.300 -0.132 0.000 1.062 719 M CA 1.452 56.594 55.300 -0.264 0.000 1.105 719 M CB -0.422 32.119 32.600 -0.099 0.000 1.385 719 M HN 0.385 nan 8.290 nan 0.000 0.417 720 R N 0.221 120.649 120.500 -0.119 0.000 2.323 720 R HA 0.036 4.498 4.340 0.203 0.000 0.198 720 R C 0.166 176.442 176.300 -0.039 0.000 0.988 720 R CA 0.148 56.211 56.100 -0.062 0.000 1.041 720 R CB -0.123 30.147 30.300 -0.050 0.000 0.926 720 R HN 0.551 nan 8.270 nan 0.000 0.476 721 Q N 0.740 120.506 119.800 -0.056 0.000 2.330 721 Q HA -0.055 4.407 4.340 0.203 0.000 0.279 721 Q C 0.598 176.644 176.000 0.078 0.000 1.024 721 Q CA 0.155 55.966 55.803 0.014 0.000 0.900 721 Q CB 0.761 29.519 28.738 0.034 0.000 1.221 721 Q HN 0.194 nan 8.270 nan 0.000 0.396 722 E N 0.832 121.066 120.200 0.057 0.000 2.086 722 E HA -0.281 4.191 4.350 0.203 0.000 0.200 722 E C 1.960 178.605 176.600 0.074 0.000 1.012 722 E CA 2.163 58.596 56.400 0.056 0.000 0.812 722 E CB -0.059 29.664 29.700 0.038 0.000 0.743 722 E HN 0.847 nan 8.360 nan 0.000 0.453 723 T N -1.285 113.322 114.554 0.088 0.000 2.759 723 T HA -0.218 4.254 4.350 0.203 0.000 0.269 723 T C 1.712 176.428 174.700 0.026 0.000 1.042 723 T CA 1.324 63.452 62.100 0.046 0.000 1.140 723 T CB -0.484 68.400 68.868 0.026 0.000 0.864 723 T HN 0.156 nan 8.240 nan 0.000 0.455 724 Y N 0.836 121.118 120.300 -0.030 0.000 2.243 724 Y HA 0.256 4.939 4.550 0.222 0.000 0.293 724 Y C 2.808 178.688 175.900 -0.032 0.000 1.124 724 Y CA 0.449 58.527 58.100 -0.037 0.000 1.159 724 Y CB -0.396 38.032 38.460 -0.055 0.000 1.008 724 Y HN 0.073 nan 8.280 nan 0.000 0.527 725 M N -0.157 119.516 119.600 0.122 0.000 2.213 725 M HA -0.193 4.409 4.480 0.203 0.000 0.263 725 M C 1.913 178.232 176.300 0.032 0.000 1.062 725 M CA 1.446 56.775 55.300 0.049 0.000 1.105 725 M CB -0.860 31.759 32.600 0.032 0.000 1.385 725 M HN 0.374 nan 8.290 nan 0.000 0.417 726 E N 0.096 120.323 120.200 0.045 0.000 2.046 726 E HA -0.082 4.389 4.350 0.203 0.000 0.190 726 E C 2.073 178.691 176.600 0.031 0.000 0.982 726 E CA 1.177 57.606 56.400 0.048 0.000 0.800 726 E CB 0.111 29.836 29.700 0.041 0.000 0.756 726 E HN 0.446 nan 8.360 nan 0.000 0.449 727 A N 1.024 123.842 122.820 -0.003 0.000 1.902 727 A HA -0.121 4.321 4.320 0.203 0.000 0.217 727 A C 2.074 179.663 177.584 0.008 0.000 1.181 727 A CA 1.009 53.030 52.037 -0.026 0.000 0.623 727 A CB -0.509 18.419 19.000 -0.119 0.000 0.818 727 A HN 0.185 nan 8.150 nan 0.000 0.443 728 L N -0.080 121.158 121.223 0.026 0.000 2.599 728 L HA 0.093 4.555 4.340 0.203 0.000 0.230 728 L C 0.170 177.119 176.870 0.132 0.000 1.141 728 L CA -0.155 54.731 54.840 0.077 0.000 0.877 728 L CB -0.020 42.078 42.059 0.064 0.000 1.009 728 L HN 0.167 nan 8.230 nan 0.000 0.447 729 S N -1.856 113.857 115.700 0.021 0.000 2.607 729 S HA 0.486 5.078 4.470 0.203 0.000 0.303 729 S C -0.522 174.001 174.600 -0.127 0.000 1.086 729 S CA -0.549 57.571 58.200 -0.134 0.000 0.995 729 S CB 1.143 64.076 63.200 -0.447 0.000 1.084 729 S HN 0.252 nan 8.310 nan 0.000 0.507 730 H N 0.066 119.172 119.070 0.060 0.000 2.904 730 H HA -0.127 4.552 4.556 0.204 0.000 0.333 730 H C -0.738 174.593 175.328 0.006 0.000 1.271 730 H CA 0.741 56.802 56.048 0.021 0.000 1.183 730 H CB -2.182 27.602 29.762 0.035 0.000 1.519 730 H HN 0.610 nan 8.280 nan 0.000 0.441 731 L N -2.316 118.924 121.223 0.029 0.000 2.359 731 L HA 0.639 5.101 4.340 0.203 0.000 0.256 731 L C -0.038 176.809 176.870 -0.039 0.000 1.026 731 L CA -1.233 53.618 54.840 0.018 0.000 0.828 731 L CB 2.132 44.206 42.059 0.025 0.000 1.406 731 L HN 0.018 nan 8.230 nan 0.000 0.413 732 Q N 1.315 121.129 119.800 0.022 0.000 2.286 732 Q HA 0.263 4.725 4.340 0.203 0.000 0.257 732 Q C -0.141 175.863 176.000 0.007 0.000 0.941 732 Q CA -0.393 55.413 55.803 0.005 0.000 0.912 732 Q CB 1.591 30.387 28.738 0.097 0.000 1.192 732 Q HN 0.714 nan 8.270 nan 0.000 0.410 733 S N 3.077 118.740 115.700 -0.061 0.000 2.525 733 S HA 0.047 4.638 4.470 0.203 0.000 0.285 733 S C -1.692 172.933 174.600 0.041 0.000 1.283 733 S CA -1.215 56.957 58.200 -0.046 0.000 1.072 733 S CB 0.441 63.599 63.200 -0.070 0.000 0.867 733 S HN 0.385 nan 8.310 nan 0.000 0.492 734 P HA -0.042 nan 4.420 nan 0.000 0.220 734 P C 1.148 178.503 177.300 0.092 0.000 1.148 734 P CA 0.919 64.036 63.100 0.028 0.000 0.803 734 P CB 0.047 31.483 31.700 -0.440 0.000 0.782 735 L N -1.540 119.725 121.223 0.070 0.000 2.141 735 L HA -0.034 4.427 4.340 0.203 0.000 0.209 735 L C 0.602 177.631 176.870 0.265 0.000 1.094 735 L CA 1.059 56.007 54.840 0.179 0.000 0.763 735 L CB -0.367 41.760 42.059 0.114 0.000 0.908 735 L HN 0.013 nan 8.230 nan 0.000 0.437 736 D N -1.824 118.629 120.400 0.088 0.000 2.419 736 D HA 0.134 4.896 4.640 0.203 0.000 0.219 736 D C -2.233 173.978 176.300 -0.148 0.000 1.349 736 D CA -1.430 52.596 54.000 0.043 0.000 0.964 736 D CB 1.427 42.278 40.800 0.084 0.000 1.463 736 D HN -0.289 nan 8.370 nan 0.000 0.573 737 P HA -0.067 nan 4.420 nan 0.000 0.228 737 P C 0.933 178.198 177.300 -0.059 0.000 1.151 737 P CA 0.787 63.697 63.100 -0.316 0.000 0.770 737 P CB 0.131 31.540 31.700 -0.485 0.000 0.786 738 S N -3.392 112.291 115.700 -0.029 0.000 2.556 738 S HA 0.095 4.687 4.470 0.203 0.000 0.216 738 S C 0.762 175.333 174.600 -0.048 0.000 0.970 738 S CA -0.145 58.079 58.200 0.040 0.000 0.912 738 S CB -1.001 62.236 63.200 0.062 0.000 0.790 738 S HN -0.044 nan 8.310 nan 0.000 0.504 739 T N 3.630 118.142 114.554 -0.070 0.000 2.743 739 T HA 0.487 4.959 4.350 0.203 0.000 0.293 739 T C -0.360 174.251 174.700 -0.148 0.000 0.945 739 T CA -0.428 61.613 62.100 -0.098 0.000 1.030 739 T CB 0.735 69.562 68.868 -0.067 0.000 0.912 739 T HN 0.274 nan 8.240 nan 0.000 0.483 740 L N 4.523 125.634 121.223 -0.186 0.000 2.281 740 L HA 0.390 4.852 4.340 0.203 0.000 0.285 740 L C 0.146 176.882 176.870 -0.224 0.000 1.074 740 L CA -0.661 54.054 54.840 -0.207 0.000 0.817 740 L CB 0.371 42.294 42.059 -0.227 0.000 1.168 740 L HN 0.435 nan 8.230 nan 0.000 0.434 741 L N 4.371 125.398 121.223 -0.326 0.000 2.385 741 L HA 0.170 4.631 4.340 0.203 0.000 0.285 741 L C 0.960 177.638 176.870 -0.321 0.000 1.125 741 L CA -0.316 54.147 54.840 -0.627 0.000 0.890 741 L CB 0.144 41.505 42.059 -1.164 0.000 1.251 741 L HN 0.675 nan 8.230 nan 0.000 0.445 742 E N 2.933 123.079 120.200 -0.091 0.000 2.179 742 E HA 0.041 4.513 4.350 0.203 0.000 0.236 742 E C 0.266 176.871 176.600 0.008 0.000 0.843 742 E CA 0.416 56.861 56.400 0.075 0.000 1.245 742 E CB 0.149 29.933 29.700 0.140 0.000 1.113 742 E HN 0.518 nan 8.360 nan 0.000 0.548 743 E N 1.923 122.179 120.200 0.094 0.000 2.174 743 E HA 0.256 4.727 4.350 0.203 0.000 0.282 743 E C 0.041 176.685 176.600 0.073 0.000 0.992 743 E CA -0.474 55.936 56.400 0.016 0.000 0.803 743 E CB 1.921 31.641 29.700 0.032 0.000 1.090 743 E HN 0.010 nan 8.360 nan 0.000 0.396 744 V N 2.789 122.653 119.914 -0.084 0.000 2.572 744 V HA -0.005 4.236 4.120 0.203 0.000 0.291 744 V C -0.331 175.617 176.094 -0.243 0.000 1.039 744 V CA -0.506 61.531 62.300 -0.439 0.000 1.055 744 V CB 0.238 31.723 31.823 -0.564 0.000 0.969 744 V HN 0.834 nan 8.190 nan 0.000 0.482 745 C N 7.151 126.311 119.300 -0.234 0.000 2.145 745 C HA 0.248 4.830 4.460 0.203 0.000 0.374 745 C C 1.801 176.685 174.990 -0.177 0.000 1.035 745 C CA -0.704 58.229 59.018 -0.143 0.000 1.431 745 C CB -1.308 26.387 27.740 -0.076 0.000 1.789 745 C HN 0.874 nan 8.230 nan 0.000 0.483 746 V N 2.327 122.115 119.914 -0.210 0.000 2.278 746 V HA -0.231 4.011 4.120 0.203 0.000 0.251 746 V C 2.562 178.337 176.094 -0.531 0.000 1.062 746 V CA 1.910 64.023 62.300 -0.313 0.000 1.038 746 V CB -0.263 31.388 31.823 -0.287 0.000 0.646 746 V HN 0.742 nan 8.190 nan 0.000 0.447 747 E N -0.402 119.575 120.200 -0.373 0.000 2.267 747 E HA -0.208 4.264 4.350 0.203 0.000 0.197 747 E C 2.150 178.673 176.600 -0.128 0.000 0.998 747 E CA 1.100 57.313 56.400 -0.312 0.000 0.830 747 E CB -0.139 29.489 29.700 -0.119 0.000 0.751 747 E HN 0.685 nan 8.360 nan 0.000 0.491 748 Q N -0.991 118.769 119.800 -0.067 0.000 2.319 748 Q HA 0.086 4.548 4.340 0.203 0.000 0.202 748 Q C 0.055 176.163 176.000 0.180 0.000 0.896 748 Q CA -0.219 55.624 55.803 0.065 0.000 0.942 748 Q CB 0.634 29.416 28.738 0.074 0.000 1.083 748 Q HN 0.137 nan 8.270 nan 0.000 0.510 749 C N -0.308 119.097 119.300 0.175 0.000 2.382 749 C HA 0.688 5.270 4.460 0.203 0.000 0.363 749 C C 0.833 176.062 174.990 0.399 0.000 1.213 749 C CA -0.341 58.858 59.018 0.301 0.000 2.363 749 C CB 1.348 29.205 27.740 0.196 0.000 2.397 749 C HN 0.306 nan 8.230 nan 0.000 0.573 750 T N -0.191 114.582 114.554 0.365 0.000 2.646 750 T HA 0.707 5.178 4.350 0.203 0.000 0.297 750 T C -2.030 172.903 174.700 0.389 0.000 1.363 750 T CA -0.316 61.949 62.100 0.276 0.000 1.056 750 T CB 0.687 69.572 68.868 0.027 0.000 1.779 750 T HN 1.015 nan 8.240 nan 0.000 0.459 751 F N 0.304 120.307 119.950 0.088 0.000 2.688 751 F HA 0.698 5.351 4.527 0.210 0.000 0.308 751 F C -0.862 174.963 175.800 0.042 0.000 1.117 751 F CA -1.384 56.679 58.000 0.104 0.000 0.976 751 F CB 1.402 40.459 39.000 0.095 0.000 1.291 751 F HN 0.693 nan 8.300 nan 0.000 0.439 752 M N 3.174 122.812 119.600 0.064 0.000 2.184 752 M HA 0.209 4.811 4.480 0.203 0.000 0.351 752 M C -0.058 176.242 176.300 -0.001 0.000 1.395 752 M CA 0.191 55.456 55.300 -0.058 0.000 1.117 752 M CB 0.575 33.204 32.600 0.049 0.000 1.708 752 M HN 0.770 nan 8.290 nan 0.000 0.468 753 D N 2.993 123.280 120.400 -0.188 0.000 2.519 753 D HA 0.123 4.885 4.640 0.203 0.000 0.238 753 D C -0.591 175.741 176.300 0.052 0.000 1.192 753 D CA 0.091 54.075 54.000 -0.026 0.000 0.835 753 D CB 0.149 40.852 40.800 -0.163 0.000 0.975 753 D HN 0.598 nan 8.370 nan 0.000 0.490 754 S N -1.416 114.321 115.700 0.062 0.000 2.627 754 S HA 0.582 5.174 4.470 0.203 0.000 0.283 754 S C 0.529 175.169 174.600 0.067 0.000 1.127 754 S CA -0.621 57.609 58.200 0.049 0.000 0.863 754 S CB 2.162 65.369 63.200 0.012 0.000 1.121 754 S HN 0.106 nan 8.310 nan 0.000 0.479 755 K N -0.157 120.272 120.400 0.048 0.000 1.673 755 K HA -0.239 4.203 4.320 0.203 0.000 0.127 755 K C 1.062 177.694 176.600 0.054 0.000 1.035 755 K CA 1.936 58.249 56.287 0.044 0.000 0.314 755 K CB -1.259 31.265 32.500 0.039 0.000 0.670 755 K HN 0.602 nan 8.250 nan 0.000 0.842 756 M N 1.373 121.006 119.600 0.056 0.000 2.659 756 M HA 0.035 4.637 4.480 0.203 0.000 0.243 756 M C -0.185 176.166 176.300 0.084 0.000 1.111 756 M CA 0.983 56.315 55.300 0.054 0.000 1.070 756 M CB -0.987 31.634 32.600 0.036 0.000 1.525 756 M HN 0.363 nan 8.290 nan 0.000 0.517 757 K N -0.085 120.390 120.400 0.125 0.000 3.419 757 K HA -0.125 4.317 4.320 0.203 0.000 0.272 757 K C -2.479 174.256 176.600 0.225 0.000 0.973 757 K CA 0.195 56.608 56.287 0.210 0.000 0.749 757 K CB -1.706 30.875 32.500 0.136 0.000 1.403 757 K HN 0.299 nan 8.250 nan 0.000 0.456 758 P HA 0.034 nan 4.420 nan 0.000 0.272 758 P C -0.019 177.473 177.300 0.320 0.000 1.230 758 P CA -0.085 63.146 63.100 0.219 0.000 0.788 758 P CB 0.755 32.553 31.700 0.164 0.000 0.949 759 L N 0.904 122.338 121.223 0.352 0.000 2.334 759 L HA 0.481 4.943 4.340 0.203 0.000 0.272 759 L C 0.084 177.188 176.870 0.390 0.000 1.020 759 L CA -0.617 54.454 54.840 0.384 0.000 0.812 759 L CB 1.788 44.054 42.059 0.346 0.000 1.264 759 L HN 0.474 nan 8.230 nan 0.000 0.439 760 W N 5.194 126.596 121.300 0.170 0.000 2.336 760 W HA 0.447 5.226 4.660 0.199 0.000 0.315 760 W C -1.789 174.786 176.519 0.093 0.000 1.016 760 W CA -0.573 56.843 57.345 0.118 0.000 1.318 760 W CB 1.360 30.870 29.460 0.083 0.000 1.247 760 W HN 0.230 nan 8.180 nan 0.000 0.414 761 I N 7.720 128.246 120.570 -0.073 0.000 2.382 761 I HA 0.269 4.561 4.170 0.203 0.000 0.286 761 I C 0.140 176.139 176.117 -0.196 0.000 1.002 761 I CA -0.941 60.311 61.300 -0.079 0.000 1.135 761 I CB 1.337 39.312 38.000 -0.041 0.000 1.288 761 I HN 0.261 nan 8.210 nan 0.000 0.448 762 M N 5.968 125.464 119.600 -0.172 0.000 2.444 762 M HA 0.500 5.102 4.480 0.203 0.000 0.319 762 M C -0.948 175.194 176.300 -0.264 0.000 1.183 762 M CA -0.572 54.660 55.300 -0.112 0.000 1.032 762 M CB 1.407 34.026 32.600 0.032 0.000 1.569 762 M HN 0.312 nan 8.290 nan 0.000 0.468 763 Y N -0.871 119.411 120.300 -0.031 0.000 2.544 763 Y HA 0.503 5.177 4.550 0.207 0.000 0.342 763 Y C 0.023 175.911 175.900 -0.019 0.000 1.062 763 Y CA -0.695 57.385 58.100 -0.032 0.000 1.023 763 Y CB 2.144 40.578 38.460 -0.044 0.000 1.308 763 Y HN 0.749 nan 8.280 nan 0.000 0.457 764 S N 0.340 116.138 115.700 0.164 0.000 2.704 764 S HA 0.878 5.470 4.470 0.203 0.000 0.296 764 S C -1.094 173.559 174.600 0.089 0.000 1.138 764 S CA -0.827 57.433 58.200 0.099 0.000 0.875 764 S CB 2.061 65.298 63.200 0.061 0.000 1.151 764 S HN 0.592 nan 8.310 nan 0.000 0.500 765 S N -0.317 115.416 115.700 0.055 0.000 2.720 765 S HA 0.354 4.946 4.470 0.203 0.000 0.278 765 S C 0.178 174.793 174.600 0.026 0.000 1.172 765 S CA -0.582 57.643 58.200 0.043 0.000 1.019 765 S CB 1.306 64.517 63.200 0.018 0.000 1.049 765 S HN 0.774 nan 8.310 nan 0.000 0.483 766 E N 2.487 122.705 120.200 0.029 0.000 2.017 766 E HA -0.179 4.293 4.350 0.203 0.000 0.193 766 E C 1.479 178.081 176.600 0.004 0.000 0.997 766 E CA 1.454 57.864 56.400 0.016 0.000 0.804 766 E CB -0.090 29.622 29.700 0.020 0.000 0.757 766 E HN 0.765 nan 8.360 nan 0.000 0.448 767 E N 0.497 120.700 120.200 0.005 0.000 2.219 767 E HA -0.190 4.282 4.350 0.203 0.000 0.198 767 E C 1.404 177.993 176.600 -0.018 0.000 0.998 767 E CA 1.396 57.794 56.400 -0.003 0.000 0.818 767 E CB -0.082 29.617 29.700 -0.003 0.000 0.741 767 E HN 0.272 nan 8.360 nan 0.000 0.477 768 A N -0.626 122.180 122.820 -0.024 0.000 2.267 768 A HA 0.479 4.920 4.320 0.203 0.000 0.213 768 A C 1.522 179.078 177.584 -0.047 0.000 1.192 768 A CA 0.706 52.719 52.037 -0.040 0.000 0.851 768 A CB -0.593 18.383 19.000 -0.041 0.000 0.881 768 A HN 0.414 nan 8.150 nan 0.000 0.494 769 G N 0.170 108.945 108.800 -0.042 0.000 2.632 769 G HA2 -0.402 3.680 3.960 0.203 0.000 0.322 769 G HA3 -0.402 3.680 3.960 0.203 0.000 0.322 769 G C 1.324 176.210 174.900 -0.024 0.000 1.326 769 G CA 0.843 45.914 45.100 -0.048 0.000 0.986 769 G HN 0.662 nan 8.290 nan 0.000 0.541 770 S N 0.133 115.815 115.700 -0.030 0.000 2.381 770 S HA -0.170 4.422 4.470 0.203 0.000 0.230 770 S C 2.761 177.382 174.600 0.035 0.000 1.052 770 S CA 2.858 61.065 58.200 0.011 0.000 1.068 770 S CB -0.717 62.486 63.200 0.005 0.000 0.918 770 S HN 1.684 nan 8.310 nan 0.000 0.448 771 A N 0.424 123.258 122.820 0.023 0.000 2.209 771 A HA 0.256 4.698 4.320 0.203 0.000 0.212 771 A C 1.923 179.525 177.584 0.030 0.000 1.158 771 A CA 1.174 53.243 52.037 0.053 0.000 0.742 771 A CB -0.555 18.498 19.000 0.089 0.000 0.790 771 A HN 0.519 nan 8.150 nan 0.000 0.472 772 G N -0.572 108.236 108.800 0.013 0.000 3.088 772 G HA2 0.060 4.142 3.960 0.203 0.000 0.217 772 G HA3 0.060 4.142 3.960 0.203 0.000 0.217 772 G C 0.071 174.994 174.900 0.038 0.000 1.159 772 G CA -0.372 44.733 45.100 0.009 0.000 0.760 772 G HN 0.380 nan 8.290 nan 0.000 0.550 773 N N 1.508 120.239 118.700 0.051 0.000 2.663 773 N HA 0.315 5.177 4.740 0.203 0.000 0.250 773 N C -0.152 175.398 175.510 0.066 0.000 1.129 773 N CA 0.022 53.113 53.050 0.068 0.000 0.995 773 N CB 1.465 39.996 38.487 0.073 0.000 1.324 773 N HN 0.207 nan 8.380 nan 0.000 0.512 774 V N -1.523 118.432 119.914 0.068 0.000 3.074 774 V HA 1.039 5.281 4.120 0.203 0.000 0.314 774 V C 0.318 176.438 176.094 0.043 0.000 1.117 774 V CA -0.999 61.324 62.300 0.039 0.000 1.014 774 V CB 1.902 33.733 31.823 0.013 0.000 1.057 774 V HN 0.371 nan 8.190 nan 0.000 0.438 775 G N 1.715 110.484 108.800 -0.053 0.000 2.620 775 G HA2 0.780 4.862 3.960 0.203 0.000 0.301 775 G HA3 0.780 4.862 3.960 0.203 0.000 0.301 775 G C -1.141 173.645 174.900 -0.190 0.000 1.347 775 G CA -0.671 44.324 45.100 -0.176 0.000 0.971 775 G HN 1.547 nan 8.290 nan 0.000 0.488 776 I N -1.071 119.413 120.570 -0.144 0.000 2.689 776 I HA 0.715 5.007 4.170 0.203 0.000 0.299 776 I C -1.020 175.032 176.117 -0.108 0.000 1.059 776 I CA -1.350 59.902 61.300 -0.079 0.000 1.055 776 I CB 2.456 40.492 38.000 0.061 0.000 1.243 776 I HN 0.259 nan 8.210 nan 0.000 0.425 777 I N 4.590 125.130 120.570 -0.050 0.000 2.392 777 I HA 0.398 4.690 4.170 0.203 0.000 0.295 777 I C -1.120 175.091 176.117 0.156 0.000 0.985 777 I CA -0.542 60.786 61.300 0.047 0.000 1.221 777 I CB 1.887 39.912 38.000 0.042 0.000 1.366 777 I HN 0.517 nan 8.210 nan 0.000 0.467 778 F N 7.223 127.211 119.950 0.063 0.000 2.449 778 F HA 0.526 5.175 4.527 0.203 0.000 0.342 778 F C -0.462 175.386 175.800 0.080 0.000 1.127 778 F CA -0.604 57.434 58.000 0.062 0.000 0.975 778 F CB 0.952 39.992 39.000 0.067 0.000 1.146 778 F HN 0.271 nan 8.300 nan 0.000 0.444 779 K N 4.856 124.929 120.400 -0.545 0.000 2.345 779 K HA 0.456 4.898 4.320 0.203 0.000 0.255 779 K C -1.713 174.534 176.600 -0.590 0.000 0.934 779 K CA -0.697 55.380 56.287 -0.350 0.000 0.801 779 K CB 1.217 33.629 32.500 -0.147 0.000 1.137 779 K HN 0.678 nan 8.250 nan 0.000 0.424 780 N N 2.412 120.930 118.700 -0.305 0.000 2.295 780 N HA 0.540 5.402 4.740 0.203 0.000 0.293 780 N C -0.032 175.442 175.510 -0.060 0.000 1.040 780 N CA 0.475 53.412 53.050 -0.188 0.000 0.840 780 N CB 1.965 40.435 38.487 -0.027 0.000 1.468 780 N HN 0.698 nan 8.380 nan 0.000 0.478 781 G N 1.950 110.714 108.800 -0.061 0.000 2.380 781 G HA2 -0.164 3.918 3.960 0.203 0.000 0.197 781 G HA3 -0.164 3.918 3.960 0.203 0.000 0.197 781 G C -0.705 174.175 174.900 -0.032 0.000 1.001 781 G CA -0.245 44.836 45.100 -0.030 0.000 0.668 781 G HN 0.606 nan 8.290 nan 0.000 0.483 782 D N 0.650 121.022 120.400 -0.045 0.000 2.340 782 D HA 0.522 5.284 4.640 0.203 0.000 0.243 782 D C -1.014 175.260 176.300 -0.042 0.000 0.988 782 D CA -0.402 53.578 54.000 -0.033 0.000 0.959 782 D CB 1.558 42.346 40.800 -0.020 0.000 1.226 782 D HN 0.047 nan 8.370 nan 0.000 0.509 783 D N 0.794 121.175 120.400 -0.032 0.000 2.312 783 D HA 0.137 4.898 4.640 0.203 0.000 0.252 783 D C 0.511 176.793 176.300 -0.031 0.000 1.150 783 D CA -0.123 53.859 54.000 -0.030 0.000 0.870 783 D CB 0.947 41.728 40.800 -0.031 0.000 1.153 783 D HN 0.233 nan 8.370 nan 0.000 0.457 784 L N 3.710 124.918 121.223 -0.025 0.000 2.640 784 L HA 0.191 4.653 4.340 0.203 0.000 0.230 784 L C 2.263 179.121 176.870 -0.020 0.000 1.123 784 L CA -0.202 54.631 54.840 -0.012 0.000 0.900 784 L CB 0.211 42.265 42.059 -0.007 0.000 1.146 784 L HN 0.280 nan 8.230 nan 0.000 0.484 785 R N 0.231 120.708 120.500 -0.038 0.000 2.082 785 R HA -0.263 4.199 4.340 0.203 0.000 0.234 785 R C 2.129 178.356 176.300 -0.123 0.000 1.136 785 R CA 1.964 58.025 56.100 -0.066 0.000 0.935 785 R CB -0.319 29.945 30.300 -0.060 0.000 0.842 785 R HN 0.210 nan 8.270 nan 0.000 0.430 786 Q N 1.085 120.785 119.800 -0.167 0.000 2.045 786 Q HA -0.234 4.228 4.340 0.203 0.000 0.206 786 Q C 1.593 177.450 176.000 -0.238 0.000 0.991 786 Q CA 2.185 57.803 55.803 -0.308 0.000 0.851 786 Q CB -0.347 28.204 28.738 -0.311 0.000 0.911 786 Q HN 0.184 nan 8.270 nan 0.000 0.418 787 D N -0.561 119.800 120.400 -0.064 0.000 2.106 787 D HA -0.218 4.543 4.640 0.203 0.000 0.191 787 D C 1.818 178.117 176.300 -0.001 0.000 0.997 787 D CA 1.662 55.713 54.000 0.086 0.000 0.834 787 D CB -0.312 40.592 40.800 0.174 0.000 0.956 787 D HN 0.401 nan 8.370 nan 0.000 0.448 788 M N -0.307 119.275 119.600 -0.031 0.000 2.086 788 M HA -0.190 4.411 4.480 0.203 0.000 0.261 788 M C 2.059 178.287 176.300 -0.120 0.000 1.067 788 M CA 1.160 56.429 55.300 -0.052 0.000 1.116 788 M CB -0.080 32.505 32.600 -0.026 0.000 1.348 788 M HN 0.094 nan 8.290 nan 0.000 0.407 789 L N 0.242 121.374 121.223 -0.152 0.000 2.012 789 L HA -0.167 4.295 4.340 0.203 0.000 0.210 789 L C 2.150 178.932 176.870 -0.147 0.000 1.073 789 L CA 2.262 57.002 54.840 -0.166 0.000 0.748 789 L CB -1.237 40.723 42.059 -0.166 0.000 0.891 789 L HN 0.304 nan 8.230 nan 0.000 0.431 790 T N -0.006 114.424 114.554 -0.208 0.000 2.652 790 T HA -0.215 4.256 4.350 0.203 0.000 0.267 790 T C 1.983 176.485 174.700 -0.330 0.000 1.039 790 T CA 2.042 63.964 62.100 -0.295 0.000 1.153 790 T CB -0.411 68.048 68.868 -0.682 0.000 0.863 790 T HN 0.315 nan 8.240 nan 0.000 0.428 791 L N 0.784 121.818 121.223 -0.316 0.000 2.083 791 L HA -0.154 4.308 4.340 0.203 0.000 0.209 791 L C 2.986 179.750 176.870 -0.177 0.000 1.083 791 L CA 1.297 55.997 54.840 -0.232 0.000 0.752 791 L CB -0.539 41.388 42.059 -0.219 0.000 0.899 791 L HN 0.337 nan 8.230 nan 0.000 0.433 792 Q N -0.879 118.820 119.800 -0.168 0.000 2.046 792 Q HA -0.193 4.269 4.340 0.203 0.000 0.200 792 Q C 2.338 178.263 176.000 -0.125 0.000 0.975 792 Q CA 1.199 56.900 55.803 -0.171 0.000 0.836 792 Q CB -0.144 28.474 28.738 -0.200 0.000 0.896 792 Q HN 0.469 nan 8.270 nan 0.000 0.428 793 M N 0.228 119.790 119.600 -0.062 0.000 2.108 793 M HA -0.138 4.464 4.480 0.203 0.000 0.261 793 M C 2.240 178.548 176.300 0.013 0.000 1.066 793 M CA 1.324 56.665 55.300 0.069 0.000 1.107 793 M CB -0.846 31.881 32.600 0.211 0.000 1.356 793 M HN 0.204 nan 8.290 nan 0.000 0.406 794 I N -0.102 120.428 120.570 -0.068 0.000 2.286 794 I HA -0.308 3.983 4.170 0.203 0.000 0.248 794 I C 2.672 178.702 176.117 -0.144 0.000 1.115 794 I CA 1.211 62.446 61.300 -0.107 0.000 1.392 794 I CB -0.375 37.603 38.000 -0.036 0.000 1.065 794 I HN 0.400 nan 8.210 nan 0.000 0.418 795 Q N 0.686 120.414 119.800 -0.121 0.000 2.119 795 Q HA -0.230 4.232 4.340 0.203 0.000 0.201 795 Q C 2.213 178.115 176.000 -0.163 0.000 0.972 795 Q CA 1.416 57.147 55.803 -0.121 0.000 0.847 795 Q CB -0.043 28.620 28.738 -0.125 0.000 0.903 795 Q HN 0.409 nan 8.270 nan 0.000 0.433 796 L N 0.195 121.317 121.223 -0.169 0.000 2.056 796 L HA -0.097 4.364 4.340 0.203 0.000 0.207 796 L C 2.041 178.746 176.870 -0.274 0.000 1.078 796 L CA 1.726 56.446 54.840 -0.199 0.000 0.749 796 L CB -0.419 41.535 42.059 -0.176 0.000 0.901 796 L HN 0.351 nan 8.230 nan 0.000 0.433 797 M N -0.742 118.657 119.600 -0.335 0.000 2.080 797 M HA -0.242 4.359 4.480 0.203 0.000 0.260 797 M C 2.001 177.633 176.300 -1.113 0.000 1.068 797 M CA 2.164 56.953 55.300 -0.853 0.000 1.109 797 M CB -0.614 31.313 32.600 -1.122 0.000 1.342 797 M HN 0.282 nan 8.290 nan 0.000 0.405 798 D N 0.036 120.096 120.400 -0.567 0.000 2.123 798 D HA -0.135 4.627 4.640 0.203 0.000 0.196 798 D C 1.793 178.060 176.300 -0.055 0.000 0.992 798 D CA 1.248 55.195 54.000 -0.089 0.000 0.833 798 D CB 0.039 40.844 40.800 0.009 0.000 0.954 798 D HN 0.095 nan 8.370 nan 0.000 0.455 799 V N 0.464 120.290 119.914 -0.147 0.000 2.307 799 V HA -0.215 4.026 4.120 0.203 0.000 0.245 799 V C 2.694 178.706 176.094 -0.137 0.000 1.045 799 V CA 1.290 63.518 62.300 -0.121 0.000 1.024 799 V CB -0.494 31.239 31.823 -0.149 0.000 0.651 799 V HN 0.277 nan 8.190 nan 0.000 0.449 800 L N -1.478 119.593 121.223 -0.253 0.000 2.012 800 L HA -0.210 4.251 4.340 0.203 0.000 0.210 800 L C 2.619 179.473 176.870 -0.026 0.000 1.073 800 L CA 1.874 56.555 54.840 -0.266 0.000 0.748 800 L CB -0.734 41.069 42.059 -0.427 0.000 0.891 800 L HN 0.393 nan 8.230 nan 0.000 0.431 801 W N 0.943 122.227 121.300 -0.026 0.000 2.355 801 W HA -0.144 4.637 4.660 0.202 0.000 0.309 801 W C 2.596 179.104 176.519 -0.018 0.000 1.206 801 W CA 0.860 58.197 57.345 -0.012 0.000 1.284 801 W CB -0.900 28.548 29.460 -0.020 0.000 1.145 801 W HN 0.149 nan 8.180 nan 0.000 0.502 802 K N 0.282 120.807 120.400 0.208 0.000 2.063 802 K HA -0.211 4.231 4.320 0.203 0.000 0.208 802 K C 1.870 178.505 176.600 0.059 0.000 1.048 802 K CA 1.687 58.037 56.287 0.104 0.000 0.928 802 K CB -0.493 32.044 32.500 0.063 0.000 0.713 802 K HN 0.244 nan 8.250 nan 0.000 0.442 803 Q N 0.528 120.352 119.800 0.039 0.000 2.515 803 Q HA -0.130 4.332 4.340 0.203 0.000 0.215 803 Q C 0.192 176.227 176.000 0.058 0.000 0.983 803 Q CA 0.815 56.633 55.803 0.026 0.000 0.905 803 Q CB 0.141 28.880 28.738 0.003 0.000 0.961 803 Q HN 0.341 nan 8.270 nan 0.000 0.503 804 E N -0.294 119.960 120.200 0.090 0.000 2.609 804 E HA 0.173 4.645 4.350 0.203 0.000 0.208 804 E C 0.252 176.890 176.600 0.064 0.000 1.013 804 E CA -0.028 56.421 56.400 0.083 0.000 1.093 804 E CB 0.656 30.420 29.700 0.107 0.000 1.129 804 E HN 0.326 nan 8.360 nan 0.000 0.450 805 G N 2.106 110.937 108.800 0.052 0.000 2.395 805 G HA2 -0.277 3.805 3.960 0.203 0.000 0.300 805 G HA3 -0.277 3.805 3.960 0.203 0.000 0.300 805 G C -0.192 174.731 174.900 0.038 0.000 0.998 805 G CA 0.564 45.688 45.100 0.040 0.000 1.046 805 G HN 0.303 nan 8.290 nan 0.000 0.513 806 L N 0.395 121.650 121.223 0.053 0.000 2.316 806 L HA 0.688 5.150 4.340 0.203 0.000 0.280 806 L C -0.771 176.108 176.870 0.015 0.000 1.006 806 L CA -1.136 53.705 54.840 0.002 0.000 0.836 806 L CB 1.852 43.885 42.059 -0.042 0.000 1.221 806 L HN 0.118 nan 8.230 nan 0.000 0.418 807 D N 5.051 125.437 120.400 -0.023 0.000 2.427 807 D HA 0.230 4.991 4.640 0.203 0.000 0.226 807 D C 0.318 176.570 176.300 -0.080 0.000 1.076 807 D CA -0.200 53.804 54.000 0.007 0.000 0.849 807 D CB 1.001 41.835 40.800 0.056 0.000 1.052 807 D HN 0.642 nan 8.370 nan 0.000 0.515 808 L N 3.856 125.027 121.223 -0.087 0.000 2.645 808 L HA 0.182 4.643 4.340 0.203 0.000 0.234 808 L C 0.688 177.541 176.870 -0.029 0.000 1.165 808 L CA -0.342 54.407 54.840 -0.151 0.000 0.944 808 L CB -0.300 41.585 42.059 -0.290 0.000 1.149 808 L HN 0.257 nan 8.230 nan 0.000 0.446 809 R N -0.682 119.821 120.500 0.006 0.000 3.333 809 R HA -0.163 4.299 4.340 0.203 0.000 0.256 809 R C 0.022 176.395 176.300 0.122 0.000 1.010 809 R CA 0.686 56.800 56.100 0.023 0.000 0.680 809 R CB -1.924 28.366 30.300 -0.017 0.000 1.102 809 R HN 0.341 nan 8.270 nan 0.000 0.440 810 M N -0.121 119.568 119.600 0.149 0.000 2.103 810 M HA 0.145 4.747 4.480 0.203 0.000 0.291 810 M C 0.945 177.407 176.300 0.270 0.000 1.216 810 M CA 0.517 55.963 55.300 0.245 0.000 1.132 810 M CB 0.346 33.036 32.600 0.150 0.000 1.396 810 M HN 0.001 nan 8.290 nan 0.000 0.479 811 T N 2.886 117.667 114.554 0.377 0.000 3.226 811 T HA 0.338 4.810 4.350 0.203 0.000 0.378 811 T C -2.333 172.470 174.700 0.170 0.000 1.380 811 T CA -0.879 61.337 62.100 0.193 0.000 1.396 811 T CB 0.402 69.263 68.868 -0.011 0.000 1.044 811 T HN 0.374 nan 8.240 nan 0.000 0.586 812 P HA 0.194 nan 4.420 nan 0.000 0.238 812 P C -0.534 176.757 177.300 -0.016 0.000 1.794 812 P CA -0.538 62.569 63.100 0.013 0.000 1.088 812 P CB -0.709 30.998 31.700 0.012 0.000 1.923 813 Y N -0.064 120.234 120.300 -0.003 0.000 2.346 813 Y HA 0.547 5.219 4.550 0.204 0.000 0.330 813 Y C 0.981 176.906 175.900 0.042 0.000 1.178 813 Y CA -1.197 56.895 58.100 -0.013 0.000 1.331 813 Y CB -0.019 38.393 38.460 -0.079 0.000 1.253 813 Y HN 0.268 nan 8.280 nan 0.000 0.529 814 G N 1.133 110.032 108.800 0.165 0.000 2.484 814 G HA2 0.259 4.341 3.960 0.203 0.000 0.235 814 G HA3 0.259 4.341 3.960 0.203 0.000 0.235 814 G C -1.077 173.927 174.900 0.174 0.000 1.282 814 G CA -0.163 45.017 45.100 0.134 0.000 0.857 814 G HN 1.118 nan 8.290 nan 0.000 0.571 815 C N 3.545 122.910 119.300 0.109 0.000 2.551 815 C HA 0.713 5.295 4.460 0.203 0.000 0.332 815 C C -1.042 174.011 174.990 0.105 0.000 1.139 815 C CA -0.947 58.147 59.018 0.127 0.000 1.328 815 C CB 0.561 28.369 27.740 0.113 0.000 1.903 815 C HN 0.883 nan 8.230 nan 0.000 0.459 816 L N 8.506 129.782 121.223 0.089 0.000 2.504 816 L HA 0.665 5.126 4.340 0.203 0.000 0.265 816 L C -2.679 174.209 176.870 0.030 0.000 0.975 816 L CA -1.279 53.616 54.840 0.092 0.000 0.864 816 L CB 1.912 44.023 42.059 0.086 0.000 1.212 816 L HN 0.486 nan 8.230 nan 0.000 0.416 817 P HA 0.404 nan 4.420 nan 0.000 0.275 817 P C 0.042 177.373 177.300 0.051 0.000 1.227 817 P CA -0.138 62.987 63.100 0.042 0.000 0.781 817 P CB 0.992 32.737 31.700 0.075 0.000 0.906 818 T N -0.865 113.699 114.554 0.017 0.000 2.954 818 T HA 0.495 4.966 4.350 0.203 0.000 0.252 818 T C 0.686 175.516 174.700 0.217 0.000 0.983 818 T CA 0.326 62.460 62.100 0.057 0.000 0.941 818 T CB -0.015 68.724 68.868 -0.216 0.000 1.141 818 T HN 0.491 nan 8.240 nan 0.000 0.500 819 G N 0.385 109.264 108.800 0.133 0.000 2.570 819 G HA2 0.423 4.505 3.960 0.203 0.000 0.310 819 G HA3 0.423 4.505 3.960 0.203 0.000 0.310 819 G C -1.997 172.866 174.900 -0.061 0.000 1.266 819 G CA -0.620 44.556 45.100 0.125 0.000 0.825 819 G HN 0.014 nan 8.290 nan 0.000 0.483 820 D N 0.936 121.170 120.400 -0.277 0.000 2.356 820 D HA 0.155 4.916 4.640 0.203 0.000 0.272 820 D C 0.973 177.093 176.300 -0.300 0.000 1.337 820 D CA 0.318 53.917 54.000 -0.669 0.000 0.970 820 D CB -0.147 40.345 40.800 -0.513 0.000 1.092 820 D HN 0.488 nan 8.370 nan 0.000 0.516 821 R N 1.981 122.339 120.500 -0.237 0.000 3.333 821 R HA -0.165 4.297 4.340 0.203 0.000 0.256 821 R C -0.538 175.682 176.300 -0.133 0.000 1.010 821 R CA 0.805 56.829 56.100 -0.127 0.000 0.680 821 R CB -1.991 28.251 30.300 -0.097 0.000 1.102 821 R HN 0.386 nan 8.270 nan 0.000 0.440 822 T N -1.177 113.295 114.554 -0.137 0.000 3.105 822 T HA 0.671 5.142 4.350 0.203 0.000 0.321 822 T C 0.052 174.647 174.700 -0.175 0.000 1.135 822 T CA -0.128 61.848 62.100 -0.206 0.000 1.053 822 T CB 2.314 71.126 68.868 -0.093 0.000 1.133 822 T HN 0.459 nan 8.240 nan 0.000 0.463 823 G N 1.419 110.051 108.800 -0.280 0.000 2.561 823 G HA2 0.682 4.763 3.960 0.203 0.000 0.310 823 G HA3 0.682 4.763 3.960 0.203 0.000 0.310 823 G C -2.225 172.564 174.900 -0.184 0.000 1.292 823 G CA -0.791 44.207 45.100 -0.171 0.000 0.811 823 G HN 0.710 nan 8.290 nan 0.000 0.482 824 L N -0.341 120.841 121.223 -0.069 0.000 2.333 824 L HA 0.741 5.203 4.340 0.203 0.000 0.269 824 L C -0.697 176.197 176.870 0.040 0.000 1.010 824 L CA -0.909 53.932 54.840 0.002 0.000 0.818 824 L CB 2.296 44.373 42.059 0.030 0.000 1.306 824 L HN 0.354 nan 8.230 nan 0.000 0.430 825 I N 0.694 121.303 120.570 0.065 0.000 2.545 825 I HA 0.253 4.545 4.170 0.203 0.000 0.292 825 I C -0.233 175.933 176.117 0.082 0.000 1.040 825 I CA -0.460 60.913 61.300 0.122 0.000 1.068 825 I CB 2.235 40.316 38.000 0.134 0.000 1.251 825 I HN 0.618 nan 8.210 nan 0.000 0.424 826 E N 5.617 125.904 120.200 0.146 0.000 2.289 826 E HA 0.241 4.712 4.350 0.203 0.000 0.278 826 E C -1.066 175.498 176.600 -0.060 0.000 1.032 826 E CA -0.498 55.937 56.400 0.059 0.000 0.854 826 E CB 1.338 31.108 29.700 0.117 0.000 1.046 826 E HN 0.347 nan 8.360 nan 0.000 0.409 827 V N 5.133 124.943 119.914 -0.172 0.000 2.521 827 V HA 0.012 4.254 4.120 0.203 0.000 0.286 827 V C 0.070 176.080 176.094 -0.140 0.000 1.034 827 V CA -0.276 61.852 62.300 -0.287 0.000 1.045 827 V CB 1.268 32.726 31.823 -0.609 0.000 0.974 827 V HN 0.471 nan 8.190 nan 0.000 0.480 828 V N 7.624 127.476 119.914 -0.102 0.000 2.348 828 V HA 0.308 4.550 4.120 0.203 0.000 0.270 828 V C 0.324 176.503 176.094 0.142 0.000 1.037 828 V CA -0.289 62.007 62.300 -0.007 0.000 0.872 828 V CB 0.852 32.593 31.823 -0.135 0.000 1.002 828 V HN 0.604 nan 8.190 nan 0.000 0.464 829 L N 4.357 125.657 121.223 0.129 0.000 2.475 829 L HA 0.436 4.898 4.340 0.203 0.000 0.253 829 L C 1.166 178.153 176.870 0.195 0.000 1.198 829 L CA -0.484 54.412 54.840 0.093 0.000 0.814 829 L CB 0.062 42.101 42.059 -0.032 0.000 1.134 829 L HN 0.729 nan 8.230 nan 0.000 0.478 830 H N -1.008 118.195 119.070 0.222 0.000 2.791 830 H HA -0.140 4.539 4.556 0.204 0.000 0.302 830 H C -0.067 175.433 175.328 0.287 0.000 1.198 830 H CA 0.706 56.885 56.048 0.217 0.000 1.145 830 H CB -1.693 28.171 29.762 0.170 0.000 1.385 830 H HN 0.647 nan 8.280 nan 0.000 0.409 831 S N -0.924 114.980 115.700 0.339 0.000 2.704 831 S HA 0.759 5.351 4.470 0.203 0.000 0.296 831 S C -0.790 173.912 174.600 0.170 0.000 1.138 831 S CA -0.727 57.662 58.200 0.314 0.000 0.875 831 S CB 4.313 67.738 63.200 0.376 0.000 1.151 831 S HN 0.184 nan 8.310 nan 0.000 0.500 832 D N -0.274 120.121 120.400 -0.009 0.000 2.694 832 D HA 0.426 5.188 4.640 0.203 0.000 0.260 832 D C -1.098 175.035 176.300 -0.278 0.000 1.250 832 D CA -0.116 53.799 54.000 -0.141 0.000 0.763 832 D CB 1.994 42.686 40.800 -0.181 0.000 1.311 832 D HN 0.849 nan 8.370 nan 0.000 0.420 833 T N 0.265 114.669 114.554 -0.250 0.000 2.910 833 T HA 0.263 4.735 4.350 0.203 0.000 0.293 833 T C 2.065 176.602 174.700 -0.273 0.000 1.015 833 T CA -0.733 61.214 62.100 -0.255 0.000 1.094 833 T CB 0.572 69.331 68.868 -0.180 0.000 0.968 833 T HN 0.299 nan 8.240 nan 0.000 0.521 834 I N 1.877 122.318 120.570 -0.215 0.000 2.143 834 I HA -0.279 4.013 4.170 0.203 0.000 0.245 834 I C 2.901 178.947 176.117 -0.118 0.000 1.068 834 I CA 2.045 63.271 61.300 -0.125 0.000 1.326 834 I CB -2.295 35.719 38.000 0.024 0.000 1.028 834 I HN 0.905 nan 8.210 nan 0.000 0.412 835 A N 0.742 123.498 122.820 -0.107 0.000 1.883 835 A HA -0.271 4.171 4.320 0.203 0.000 0.217 835 A C 2.223 179.744 177.584 -0.106 0.000 1.186 835 A CA 2.307 54.288 52.037 -0.094 0.000 0.624 835 A CB -0.889 18.053 19.000 -0.097 0.000 0.822 835 A HN 0.447 nan 8.150 nan 0.000 0.444 836 N N -0.071 118.548 118.700 -0.135 0.000 2.069 836 N HA -0.106 4.756 4.740 0.203 0.000 0.191 836 N C 1.574 177.001 175.510 -0.139 0.000 1.031 836 N CA 1.739 54.709 53.050 -0.133 0.000 0.852 836 N CB -0.412 37.982 38.487 -0.155 0.000 1.018 836 N HN 0.551 nan 8.380 nan 0.000 0.423 837 I N 0.735 121.174 120.570 -0.219 0.000 2.202 837 I HA -0.233 4.059 4.170 0.203 0.000 0.242 837 I C 1.860 177.914 176.117 -0.105 0.000 1.091 837 I CA 1.009 62.163 61.300 -0.244 0.000 1.368 837 I CB -0.224 37.471 38.000 -0.509 0.000 1.058 837 I HN 0.173 nan 8.210 nan 0.000 0.410 838 Q N 0.394 120.143 119.800 -0.085 0.000 2.541 838 Q HA -0.069 4.393 4.340 0.203 0.000 0.215 838 Q C 2.049 178.034 176.000 -0.025 0.000 0.977 838 Q CA 0.546 56.330 55.803 -0.031 0.000 0.934 838 Q CB 0.023 28.751 28.738 -0.016 0.000 0.988 838 Q HN 0.577 nan 8.270 nan 0.000 0.521 839 L N 0.195 121.395 121.223 -0.040 0.000 2.465 839 L HA -0.083 4.379 4.340 0.203 0.000 0.224 839 L C 0.488 177.349 176.870 -0.016 0.000 1.145 839 L CA 0.102 54.923 54.840 -0.032 0.000 0.834 839 L CB -0.306 41.728 42.059 -0.041 0.000 0.944 839 L HN 0.391 nan 8.230 nan 0.000 0.451 840 N N 1.424 120.121 118.700 -0.005 0.000 2.688 840 N HA -0.212 4.650 4.740 0.203 0.000 0.258 840 N C -0.239 175.274 175.510 0.005 0.000 1.016 840 N CA 0.609 53.665 53.050 0.011 0.000 0.747 840 N CB -0.701 37.793 38.487 0.012 0.000 0.895 840 N HN 0.290 nan 8.380 nan 0.000 0.543 841 K N 0.168 120.573 120.400 0.009 0.000 2.258 841 K HA 0.227 4.669 4.320 0.203 0.000 0.264 841 K C 0.850 177.454 176.600 0.006 0.000 1.007 841 K CA 0.057 56.346 56.287 0.003 0.000 0.941 841 K CB 0.512 33.015 32.500 0.005 0.000 0.966 841 K HN 0.508 nan 8.250 nan 0.000 0.480 842 S N 0.764 116.463 115.700 -0.002 0.000 2.624 842 S HA 0.070 4.661 4.470 0.203 0.000 0.263 842 S C 0.444 175.045 174.600 0.002 0.000 1.287 842 S CA -0.420 57.778 58.200 -0.004 0.000 0.990 842 S CB 0.537 63.730 63.200 -0.011 0.000 0.950 842 S HN 0.884 nan 8.310 nan 0.000 0.561 843 N N -0.754 117.947 118.700 0.001 0.000 2.780 843 N HA -0.124 4.737 4.740 0.203 0.000 0.248 843 N C -0.798 174.718 175.510 0.010 0.000 1.102 843 N CA 0.984 54.035 53.050 0.002 0.000 0.697 843 N CB -1.099 37.387 38.487 -0.001 0.000 1.028 843 N HN 0.614 nan 8.380 nan 0.000 0.554 844 M N -1.692 117.918 119.600 0.017 0.000 2.664 844 M HA 0.535 5.137 4.480 0.203 0.000 0.279 844 M C 1.137 177.454 176.300 0.028 0.000 1.275 844 M CA -0.259 55.059 55.300 0.030 0.000 0.829 844 M CB 0.688 33.319 32.600 0.052 0.000 1.727 844 M HN -0.085 nan 8.290 nan 0.000 0.459 845 A N 0.581 123.419 122.820 0.030 0.000 1.872 845 A HA 0.194 4.636 4.320 0.203 0.000 0.214 845 A C 1.901 179.506 177.584 0.034 0.000 1.187 845 A CA 1.977 54.023 52.037 0.015 0.000 0.614 845 A CB -0.867 18.125 19.000 -0.014 0.000 0.826 845 A HN 0.929 nan 8.150 nan 0.000 0.442 846 A N -0.765 122.100 122.820 0.074 0.000 2.178 846 A HA 0.099 4.540 4.320 0.203 0.000 0.218 846 A C 1.282 178.910 177.584 0.074 0.000 1.157 846 A CA 1.151 53.252 52.037 0.107 0.000 0.689 846 A CB -1.278 17.851 19.000 0.215 0.000 0.787 846 A HN 0.324 nan 8.150 nan 0.000 0.465 847 T N 1.841 116.424 114.554 0.048 0.000 2.542 847 T HA 0.269 4.741 4.350 0.203 0.000 0.246 847 T C 0.284 174.991 174.700 0.012 0.000 1.052 847 T CA 0.767 62.881 62.100 0.022 0.000 1.251 847 T CB -0.414 68.458 68.868 0.007 0.000 1.031 847 T HN 0.582 nan 8.240 nan 0.000 0.498 848 A N 3.176 125.999 122.820 0.005 0.000 2.356 848 A HA 0.817 5.259 4.320 0.203 0.000 0.323 848 A C 1.219 178.752 177.584 -0.085 0.000 1.119 848 A CA -0.288 51.749 52.037 0.001 0.000 0.790 848 A CB 1.090 20.120 19.000 0.051 0.000 1.273 848 A HN 0.818 nan 8.150 nan 0.000 0.452 849 A N 0.468 123.198 122.820 -0.149 0.000 2.016 849 A HA 0.439 4.881 4.320 0.203 0.000 0.217 849 A C 0.058 177.144 177.584 -0.830 0.000 1.162 849 A CA 1.004 52.752 52.037 -0.482 0.000 0.662 849 A CB -0.254 18.425 19.000 -0.534 0.000 0.812 849 A HN 0.662 nan 8.150 nan 0.000 0.450 850 F N -1.780 118.161 119.950 -0.015 0.000 2.547 850 F HA 0.355 5.003 4.527 0.203 0.000 0.316 850 F C 0.755 176.539 175.800 -0.026 0.000 1.121 850 F CA -0.986 56.994 58.000 -0.033 0.000 0.911 850 F CB 1.343 40.310 39.000 -0.055 0.000 1.179 850 F HN 0.081 nan 8.300 nan 0.000 0.443 851 N N 2.618 121.397 118.700 0.132 0.000 2.091 851 N HA -0.287 4.575 4.740 0.203 0.000 0.193 851 N C 1.863 177.421 175.510 0.080 0.000 1.021 851 N CA 2.357 55.457 53.050 0.084 0.000 0.862 851 N CB -0.012 38.516 38.487 0.069 0.000 1.018 851 N HN 0.712 nan 8.380 nan 0.000 0.429 852 K N -0.742 119.693 120.400 0.059 0.000 2.360 852 K HA -0.144 4.297 4.320 0.203 0.000 0.201 852 K C 0.581 177.154 176.600 -0.044 0.000 1.046 852 K CA 1.638 57.899 56.287 -0.043 0.000 0.940 852 K CB 0.032 32.412 32.500 -0.200 0.000 0.748 852 K HN 0.267 nan 8.250 nan 0.000 0.465 853 D N 1.099 121.543 120.400 0.073 0.000 2.323 853 D HA 0.044 4.806 4.640 0.203 0.000 0.209 853 D C 1.919 178.297 176.300 0.130 0.000 0.973 853 D CA 0.849 54.937 54.000 0.147 0.000 0.874 853 D CB 0.154 41.065 40.800 0.185 0.000 0.930 853 D HN 0.378 nan 8.370 nan 0.000 0.521 854 A N 1.558 124.441 122.820 0.105 0.000 1.881 854 A HA -0.219 4.222 4.320 0.203 0.000 0.219 854 A C 2.238 179.902 177.584 0.134 0.000 1.215 854 A CA 1.207 53.305 52.037 0.102 0.000 0.648 854 A CB -1.021 18.020 19.000 0.068 0.000 0.832 854 A HN 0.285 nan 8.150 nan 0.000 0.455 855 L N -1.557 119.734 121.223 0.114 0.000 2.141 855 L HA -0.114 4.348 4.340 0.203 0.000 0.209 855 L C 2.441 179.401 176.870 0.150 0.000 1.094 855 L CA 1.145 56.055 54.840 0.116 0.000 0.763 855 L CB -0.127 41.986 42.059 0.090 0.000 0.908 855 L HN 0.485 nan 8.230 nan 0.000 0.437 856 L N -0.351 120.936 121.223 0.107 0.000 2.209 856 L HA -0.075 4.387 4.340 0.203 0.000 0.207 856 L C 2.011 178.932 176.870 0.086 0.000 1.094 856 L CA 1.421 56.293 54.840 0.053 0.000 0.790 856 L CB -0.667 41.412 42.059 0.034 0.000 0.932 856 L HN 0.192 nan 8.230 nan 0.000 0.447 857 N N -1.355 117.417 118.700 0.120 0.000 2.309 857 N HA -0.227 4.635 4.740 0.203 0.000 0.182 857 N C 1.425 177.013 175.510 0.129 0.000 1.018 857 N CA 1.188 54.300 53.050 0.102 0.000 0.876 857 N CB -0.451 38.099 38.487 0.106 0.000 0.972 857 N HN 0.540 nan 8.380 nan 0.000 0.434 858 W N 1.286 122.586 121.300 0.001 0.000 2.379 858 W HA 0.078 4.859 4.660 0.202 0.000 0.307 858 W C 1.869 178.390 176.519 0.003 0.000 1.200 858 W CA 0.788 58.137 57.345 0.006 0.000 1.297 858 W CB -0.430 29.038 29.460 0.013 0.000 1.140 858 W HN -0.035 nan 8.180 nan 0.000 0.507 859 L N 0.664 121.994 121.223 0.179 0.000 2.017 859 L HA -0.248 4.214 4.340 0.203 0.000 0.208 859 L C 2.552 179.362 176.870 -0.099 0.000 1.073 859 L CA 1.752 56.603 54.840 0.018 0.000 0.745 859 L CB -0.792 41.310 42.059 0.071 0.000 0.894 859 L HN -0.076 nan 8.230 nan 0.000 0.432 860 K N -0.258 120.114 120.400 -0.048 0.000 2.074 860 K HA -0.209 4.233 4.320 0.203 0.000 0.209 860 K C 2.256 178.794 176.600 -0.103 0.000 1.048 860 K CA 1.931 58.183 56.287 -0.058 0.000 0.926 860 K CB -0.238 32.248 32.500 -0.024 0.000 0.713 860 K HN 0.398 nan 8.250 nan 0.000 0.444 861 S N 0.619 116.231 115.700 -0.147 0.000 2.406 861 S HA -0.024 4.568 4.470 0.203 0.000 0.228 861 S C 1.637 176.095 174.600 -0.238 0.000 1.020 861 S CA 0.694 58.794 58.200 -0.167 0.000 0.965 861 S CB 0.064 63.166 63.200 -0.163 0.000 0.798 861 S HN 0.061 nan 8.310 nan 0.000 0.488 862 K N 2.089 122.266 120.400 -0.371 0.000 2.418 862 K HA 0.245 4.687 4.320 0.203 0.000 0.195 862 K C -0.044 176.429 176.600 -0.211 0.000 1.035 862 K CA 0.263 56.325 56.287 -0.374 0.000 1.003 862 K CB -0.262 31.859 32.500 -0.631 0.000 0.793 862 K HN 0.499 nan 8.250 nan 0.000 0.494 863 N N 1.445 120.053 118.700 -0.154 0.000 2.725 863 N HA 0.166 5.028 4.740 0.203 0.000 0.248 863 N C -2.842 172.632 175.510 -0.061 0.000 1.402 863 N CA -0.907 52.089 53.050 -0.089 0.000 0.766 863 N CB 2.254 40.703 38.487 -0.064 0.000 1.223 863 N HN -0.012 nan 8.380 nan 0.000 0.515 864 P HA 0.144 nan 4.420 nan 0.000 0.274 864 P C 1.007 178.292 177.300 -0.025 0.000 1.231 864 P CA 0.738 63.814 63.100 -0.039 0.000 0.790 864 P CB 0.949 32.626 31.700 -0.039 0.000 0.951 865 G N 2.676 111.465 108.800 -0.018 0.000 2.594 865 G HA2 -0.363 3.719 3.960 0.203 0.000 0.297 865 G HA3 -0.363 3.719 3.960 0.203 0.000 0.297 865 G C 0.942 175.839 174.900 -0.006 0.000 1.273 865 G CA 0.817 45.911 45.100 -0.010 0.000 0.974 865 G HN 0.496 nan 8.290 nan 0.000 0.552 866 E N 0.402 120.601 120.200 -0.001 0.000 2.219 866 E HA -0.030 4.442 4.350 0.203 0.000 0.198 866 E C 2.919 179.524 176.600 0.007 0.000 0.998 866 E CA 1.800 58.204 56.400 0.005 0.000 0.818 866 E CB -0.367 29.338 29.700 0.009 0.000 0.741 866 E HN 0.815 nan 8.360 nan 0.000 0.477 867 A N 0.722 123.542 122.820 0.001 0.000 1.972 867 A HA -0.181 4.261 4.320 0.203 0.000 0.219 867 A C 2.073 179.660 177.584 0.005 0.000 1.169 867 A CA 1.059 53.097 52.037 0.003 0.000 0.635 867 A CB -0.498 18.496 19.000 -0.009 0.000 0.810 867 A HN 0.282 nan 8.150 nan 0.000 0.446 868 L N 0.468 121.689 121.223 -0.003 0.000 2.013 868 L HA -0.238 4.224 4.340 0.203 0.000 0.212 868 L C 1.674 178.551 176.870 0.012 0.000 1.073 868 L CA 2.744 57.581 54.840 -0.004 0.000 0.753 868 L CB -0.871 41.181 42.059 -0.012 0.000 0.890 868 L HN 0.366 nan 8.230 nan 0.000 0.432 869 D N -0.625 119.785 120.400 0.017 0.000 2.133 869 D HA -0.251 4.511 4.640 0.203 0.000 0.192 869 D C 2.330 178.659 176.300 0.049 0.000 1.001 869 D CA 1.542 55.561 54.000 0.031 0.000 0.844 869 D CB -0.191 40.628 40.800 0.032 0.000 0.944 869 D HN 0.220 nan 8.370 nan 0.000 0.447 870 R N 0.818 121.347 120.500 0.049 0.000 2.115 870 R HA 0.073 4.535 4.340 0.203 0.000 0.230 870 R C 1.859 178.204 176.300 0.074 0.000 1.111 870 R CA 1.438 57.576 56.100 0.063 0.000 0.976 870 R CB -0.677 29.659 30.300 0.059 0.000 0.870 870 R HN 0.103 nan 8.270 nan 0.000 0.445 871 A N 0.590 123.448 122.820 0.064 0.000 1.858 871 A HA -0.095 4.347 4.320 0.203 0.000 0.216 871 A C 2.250 179.913 177.584 0.131 0.000 1.190 871 A CA 1.634 53.724 52.037 0.088 0.000 0.617 871 A CB -0.632 18.403 19.000 0.059 0.000 0.827 871 A HN 0.346 nan 8.150 nan 0.000 0.443 872 I N -0.461 120.163 120.570 0.089 0.000 2.335 872 I HA -0.260 4.032 4.170 0.203 0.000 0.251 872 I C 2.513 178.736 176.117 0.177 0.000 1.129 872 I CA 1.780 63.139 61.300 0.097 0.000 1.402 872 I CB -0.239 37.778 38.000 0.029 0.000 1.069 872 I HN 0.448 nan 8.210 nan 0.000 0.424 873 E N 1.240 121.527 120.200 0.145 0.000 2.046 873 E HA -0.203 4.269 4.350 0.203 0.000 0.190 873 E C 2.043 178.735 176.600 0.153 0.000 0.982 873 E CA 1.324 57.818 56.400 0.156 0.000 0.800 873 E CB -0.043 29.729 29.700 0.119 0.000 0.756 873 E HN 0.300 nan 8.360 nan 0.000 0.449 874 E N -0.170 120.111 120.200 0.135 0.000 2.085 874 E HA -0.196 4.275 4.350 0.203 0.000 0.194 874 E C 2.021 178.717 176.600 0.160 0.000 0.994 874 E CA 0.964 57.431 56.400 0.111 0.000 0.801 874 E CB -0.491 29.273 29.700 0.106 0.000 0.743 874 E HN 0.362 nan 8.360 nan 0.000 0.453 875 F N 2.089 122.078 119.950 0.064 0.000 2.102 875 F HA -0.219 4.429 4.527 0.202 0.000 0.298 875 F C 2.429 178.266 175.800 0.060 0.000 1.105 875 F CA 1.927 59.955 58.000 0.047 0.000 1.239 875 F CB -0.364 38.649 39.000 0.022 0.000 0.991 875 F HN -0.080 nan 8.300 nan 0.000 0.474 876 T N 1.644 116.389 114.554 0.318 0.000 2.708 876 T HA -0.195 4.276 4.350 0.203 0.000 0.266 876 T C 2.086 176.958 174.700 0.286 0.000 1.037 876 T CA 1.866 64.150 62.100 0.308 0.000 1.146 876 T CB -0.603 68.494 68.868 0.382 0.000 0.865 876 T HN 0.220 nan 8.240 nan 0.000 0.435 877 L N 1.477 122.776 121.223 0.127 0.000 1.994 877 L HA -0.141 4.321 4.340 0.203 0.000 0.208 877 L C 2.999 179.860 176.870 -0.015 0.000 1.071 877 L CA 1.701 56.500 54.840 -0.067 0.000 0.745 877 L CB -0.856 41.091 42.059 -0.188 0.000 0.892 877 L HN 0.375 nan 8.230 nan 0.000 0.431 878 S N -1.305 114.411 115.700 0.028 0.000 2.382 878 S HA -0.255 4.337 4.470 0.203 0.000 0.228 878 S C 2.208 176.905 174.600 0.163 0.000 1.027 878 S CA 1.066 59.337 58.200 0.119 0.000 0.991 878 S CB -1.243 62.071 63.200 0.190 0.000 0.823 878 S HN 0.514 nan 8.310 nan 0.000 0.469 879 C N 2.248 121.544 119.300 -0.007 0.000 2.393 879 C HA -0.014 4.567 4.460 0.203 0.000 0.276 879 C C 3.211 178.425 174.990 0.373 0.000 1.215 879 C CA 1.187 60.227 59.018 0.036 0.000 1.743 879 C CB -1.795 25.819 27.740 -0.211 0.000 2.044 879 C HN 0.718 nan 8.230 nan 0.000 0.464 880 A N 0.280 123.383 122.820 0.472 0.000 1.883 880 A HA 0.021 4.463 4.320 0.203 0.000 0.217 880 A C 2.485 180.114 177.584 0.075 0.000 1.186 880 A CA 2.434 54.627 52.037 0.260 0.000 0.624 880 A CB -1.623 17.417 19.000 0.067 0.000 0.822 880 A HN 0.730 nan 8.150 nan 0.000 0.444 881 G N -1.545 107.201 108.800 -0.089 0.000 2.491 881 G HA2 -0.282 3.800 3.960 0.203 0.000 0.218 881 G HA3 -0.282 3.800 3.960 0.203 0.000 0.218 881 G C 1.467 176.361 174.900 -0.010 0.000 1.180 881 G CA 1.387 46.351 45.100 -0.226 0.000 0.774 881 G HN 0.562 nan 8.290 nan 0.000 0.562 882 Y N -0.134 120.282 120.300 0.193 0.000 2.373 882 Y HA -0.027 4.645 4.550 0.204 0.000 0.293 882 Y C 3.093 179.061 175.900 0.113 0.000 1.129 882 Y CA 0.434 58.629 58.100 0.159 0.000 1.226 882 Y CB -0.513 38.058 38.460 0.184 0.000 1.000 882 Y HN 0.229 nan 8.280 nan 0.000 0.549 883 C N -1.130 118.327 119.300 0.262 0.000 2.429 883 C HA -0.126 4.456 4.460 0.203 0.000 0.277 883 C C 2.747 177.777 174.990 0.067 0.000 1.262 883 C CA 1.032 60.104 59.018 0.090 0.000 1.733 883 C CB -0.996 26.846 27.740 0.170 0.000 2.010 883 C HN 0.353 nan 8.230 nan 0.000 0.483 884 V N 0.860 120.970 119.914 0.327 0.000 2.453 884 V HA -0.102 4.140 4.120 0.203 0.000 0.247 884 V C 2.600 178.950 176.094 0.427 0.000 1.048 884 V CA 1.971 64.594 62.300 0.539 0.000 1.049 884 V CB -1.067 31.061 31.823 0.509 0.000 0.672 884 V HN 0.581 nan 8.190 nan 0.000 0.457 885 A N 0.898 123.908 122.820 0.315 0.000 1.898 885 A HA -0.198 4.243 4.320 0.203 0.000 0.216 885 A C 2.498 180.162 177.584 0.133 0.000 1.181 885 A CA 2.357 54.513 52.037 0.198 0.000 0.620 885 A CB -0.938 18.145 19.000 0.137 0.000 0.819 885 A HN 0.609 nan 8.150 nan 0.000 0.442 886 T N -3.531 111.106 114.554 0.138 0.000 2.904 886 T HA -0.182 4.289 4.350 0.203 0.000 0.267 886 T C 1.834 176.626 174.700 0.152 0.000 1.059 886 T CA 1.518 63.688 62.100 0.118 0.000 1.137 886 T CB -0.505 68.415 68.868 0.088 0.000 0.879 886 T HN 0.487 nan 8.240 nan 0.000 0.467 887 Y N 2.329 122.681 120.300 0.087 0.000 2.153 887 Y HA 0.068 4.739 4.550 0.203 0.000 0.289 887 Y C 2.326 178.359 175.900 0.223 0.000 1.127 887 Y CA 0.747 58.936 58.100 0.148 0.000 1.131 887 Y CB -0.722 37.864 38.460 0.211 0.000 0.995 887 Y HN 0.036 nan 8.280 nan 0.000 0.505 888 V N 1.271 121.141 119.914 -0.074 0.000 2.252 888 V HA -0.360 3.881 4.120 0.203 0.000 0.249 888 V C 2.508 178.510 176.094 -0.154 0.000 1.056 888 V CA 2.359 64.554 62.300 -0.176 0.000 1.022 888 V CB -0.990 30.818 31.823 -0.025 0.000 0.641 888 V HN 0.484 nan 8.190 nan 0.000 0.445 889 L N 0.381 121.541 121.223 -0.105 0.000 2.549 889 L HA 0.102 4.564 4.340 0.203 0.000 0.229 889 L C 1.723 178.463 176.870 -0.216 0.000 1.158 889 L CA 0.902 55.656 54.840 -0.143 0.000 0.842 889 L CB -0.913 41.135 42.059 -0.019 0.000 0.952 889 L HN 0.635 nan 8.230 nan 0.000 0.452 890 G N 0.989 109.708 108.800 -0.135 0.000 2.221 890 G HA2 -0.298 3.784 3.960 0.203 0.000 0.265 890 G HA3 -0.298 3.784 3.960 0.203 0.000 0.265 890 G C 0.179 175.037 174.900 -0.071 0.000 1.041 890 G CA -0.185 44.758 45.100 -0.260 0.000 0.807 890 G HN 0.330 nan 8.290 nan 0.000 0.502 891 I N 1.608 122.225 120.570 0.078 0.000 2.363 891 I HA 0.424 4.715 4.170 0.203 0.000 0.292 891 I C 1.353 177.578 176.117 0.179 0.000 1.075 891 I CA 0.468 61.880 61.300 0.187 0.000 1.333 891 I CB 0.633 38.784 38.000 0.251 0.000 1.415 891 I HN 0.201 nan 8.210 nan 0.000 0.502 892 G N 3.097 112.004 108.800 0.178 0.000 2.552 892 G HA2 0.299 4.381 3.960 0.203 0.000 0.318 892 G HA3 0.299 4.381 3.960 0.203 0.000 0.318 892 G C -0.028 174.926 174.900 0.089 0.000 1.240 892 G CA -0.288 44.892 45.100 0.134 0.000 1.002 892 G HN 0.705 nan 8.290 nan 0.000 0.493 893 D N -1.447 118.967 120.400 0.023 0.000 2.837 893 D HA -0.144 4.617 4.640 0.203 0.000 0.230 893 D C 0.499 176.619 176.300 -0.299 0.000 1.152 893 D CA 0.505 54.448 54.000 -0.095 0.000 0.736 893 D CB -0.474 40.274 40.800 -0.087 0.000 1.084 893 D HN 0.305 nan 8.370 nan 0.000 0.429 894 R N 0.796 121.219 120.500 -0.127 0.000 2.543 894 R HA 0.493 4.955 4.340 0.203 0.000 0.277 894 R C 0.639 176.830 176.300 -0.181 0.000 1.074 894 R CA 0.184 56.198 56.100 -0.142 0.000 1.076 894 R CB 0.619 30.994 30.300 0.125 0.000 0.993 894 R HN 0.584 nan 8.270 nan 0.000 0.459 895 H N -2.933 116.146 119.070 0.014 0.000 2.932 895 H HA 0.114 4.792 4.556 0.203 0.000 0.307 895 H C 0.350 175.651 175.328 -0.046 0.000 1.391 895 H CA -0.495 55.541 56.048 -0.019 0.000 1.130 895 H CB 0.057 29.805 29.762 -0.022 0.000 1.836 895 H HN 0.373 nan 8.280 nan 0.000 0.522 896 S N -1.124 114.662 115.700 0.144 0.000 2.507 896 S HA -0.131 4.460 4.470 0.203 0.000 0.235 896 S C 0.650 175.253 174.600 0.006 0.000 0.988 896 S CA 1.287 59.514 58.200 0.045 0.000 0.944 896 S CB -0.381 62.820 63.200 0.001 0.000 0.762 896 S HN 0.557 nan 8.310 nan 0.000 0.526 897 D N 2.807 123.232 120.400 0.041 0.000 2.144 897 D HA -0.078 4.683 4.640 0.203 0.000 0.200 897 D C 1.446 177.755 176.300 0.014 0.000 0.978 897 D CA 1.259 55.258 54.000 -0.003 0.000 0.833 897 D CB -0.354 40.405 40.800 -0.068 0.000 0.961 897 D HN 0.880 nan 8.370 nan 0.000 0.470 898 N N 0.190 118.937 118.700 0.079 0.000 2.251 898 N HA 0.080 4.942 4.740 0.203 0.000 0.217 898 N C 0.165 175.515 175.510 -0.267 0.000 1.124 898 N CA -0.065 52.933 53.050 -0.087 0.000 0.843 898 N CB 0.873 39.306 38.487 -0.091 0.000 1.024 898 N HN 0.113 nan 8.380 nan 0.000 0.501 899 I N 0.966 121.365 120.570 -0.285 0.000 2.493 899 I HA 0.440 4.732 4.170 0.203 0.000 0.298 899 I C -0.336 175.511 176.117 -0.450 0.000 0.998 899 I CA -0.789 60.228 61.300 -0.471 0.000 1.137 899 I CB 1.942 39.725 38.000 -0.362 0.000 1.310 899 I HN -0.107 nan 8.210 nan 0.000 0.445 900 M N 5.768 124.939 119.600 -0.716 0.000 2.518 900 M HA 0.548 5.150 4.480 0.203 0.000 0.300 900 M C -1.271 174.598 176.300 -0.718 0.000 1.175 900 M CA -0.824 54.023 55.300 -0.755 0.000 0.890 900 M CB 2.962 34.932 32.600 -1.050 0.000 1.710 900 M HN 0.356 nan 8.290 nan 0.000 0.453 901 I N -0.125 120.207 120.570 -0.397 0.000 2.493 901 I HA 0.619 4.911 4.170 0.203 0.000 0.298 901 I C -0.278 175.900 176.117 0.102 0.000 0.998 901 I CA -0.740 60.493 61.300 -0.112 0.000 1.137 901 I CB 1.074 39.087 38.000 0.022 0.000 1.310 901 I HN 0.555 nan 8.210 nan 0.000 0.445 902 R N 2.705 123.398 120.500 0.321 0.000 2.528 902 R HA 0.304 4.766 4.340 0.203 0.000 0.271 902 R C 0.489 177.072 176.300 0.472 0.000 1.056 902 R CA -0.585 55.771 56.100 0.427 0.000 1.117 902 R CB 1.030 31.563 30.300 0.388 0.000 1.085 902 R HN 0.714 nan 8.270 nan 0.000 0.530 903 E N 0.370 120.804 120.200 0.390 0.000 2.204 903 E HA -0.159 4.313 4.350 0.203 0.000 0.194 903 E C 1.683 178.341 176.600 0.096 0.000 0.989 903 E CA 1.526 58.023 56.400 0.163 0.000 0.824 903 E CB 0.091 29.795 29.700 0.006 0.000 0.756 903 E HN 0.618 nan 8.360 nan 0.000 0.477 904 S N -0.650 115.129 115.700 0.131 0.000 2.465 904 S HA -0.102 4.490 4.470 0.203 0.000 0.241 904 S C 1.769 176.461 174.600 0.154 0.000 1.000 904 S CA 0.976 59.240 58.200 0.107 0.000 0.964 904 S CB -0.156 63.104 63.200 0.100 0.000 0.763 904 S HN 0.436 nan 8.310 nan 0.000 0.512 905 G N -0.060 108.888 108.800 0.247 0.000 2.232 905 G HA2 -0.234 3.848 3.960 0.203 0.000 0.226 905 G HA3 -0.234 3.848 3.960 0.203 0.000 0.226 905 G C -0.119 174.989 174.900 0.346 0.000 0.996 905 G CA -0.052 45.246 45.100 0.331 0.000 0.626 905 G HN 0.607 nan 8.290 nan 0.000 0.509 906 Q N 0.463 120.416 119.800 0.254 0.000 2.247 906 Q HA 0.454 4.916 4.340 0.203 0.000 0.288 906 Q C 0.345 176.470 176.000 0.208 0.000 1.079 906 Q CA 0.241 56.176 55.803 0.221 0.000 0.932 906 Q CB 1.129 30.009 28.738 0.236 0.000 1.133 906 Q HN 0.569 nan 8.270 nan 0.000 0.377 907 L N 4.828 126.078 121.223 0.045 0.000 2.325 907 L HA 0.683 5.145 4.340 0.203 0.000 0.279 907 L C -0.968 175.876 176.870 -0.043 0.000 1.054 907 L CA -0.637 54.110 54.840 -0.156 0.000 0.804 907 L CB 0.498 42.225 42.059 -0.553 0.000 1.200 907 L HN 0.684 nan 8.230 nan 0.000 0.436 908 F N 1.122 120.889 119.950 -0.305 0.000 2.779 908 F HA 0.534 5.182 4.527 0.202 0.000 0.316 908 F C -1.435 174.145 175.800 -0.366 0.000 1.164 908 F CA -1.050 56.600 58.000 -0.584 0.000 0.924 908 F CB 1.163 40.028 39.000 -0.224 0.000 1.348 908 F HN 0.361 nan 8.300 nan 0.000 0.467 909 H N 1.493 120.504 119.070 -0.098 0.000 2.569 909 H HA 0.810 5.488 4.556 0.203 0.000 0.357 909 H C -0.638 174.698 175.328 0.014 0.000 1.153 909 H CA -0.475 55.528 56.048 -0.075 0.000 1.193 909 H CB 2.735 32.539 29.762 0.070 0.000 1.602 909 H HN 0.806 nan 8.280 nan 0.000 0.523 910 I N -2.093 118.341 120.570 -0.226 0.000 3.264 910 I HA 0.308 4.600 4.170 0.203 0.000 0.315 910 I C -0.850 174.980 176.117 -0.479 0.000 1.154 910 I CA -1.094 60.066 61.300 -0.234 0.000 0.962 910 I CB 2.288 40.250 38.000 -0.064 0.000 1.265 910 I HN 0.414 nan 8.210 nan 0.000 0.463 911 D N 1.861 122.106 120.400 -0.257 0.000 2.810 911 D HA -0.204 4.557 4.640 0.203 0.000 0.224 911 D C -0.729 175.471 176.300 -0.167 0.000 1.222 911 D CA 1.137 55.055 54.000 -0.137 0.000 0.698 911 D CB -1.223 39.553 40.800 -0.039 0.000 0.961 911 D HN 0.363 nan 8.370 nan 0.000 0.403 912 F N 0.009 120.030 119.950 0.120 0.000 2.406 912 F HA 0.503 5.152 4.527 0.204 0.000 0.327 912 F C 1.936 177.750 175.800 0.022 0.000 1.153 912 F CA 0.401 58.450 58.000 0.082 0.000 1.218 912 F CB 1.104 40.137 39.000 0.055 0.000 1.215 912 F HN 0.122 nan 8.300 nan 0.000 0.570 913 G N -0.066 108.855 108.800 0.202 0.000 4.449 913 G HA2 0.063 4.145 3.960 0.203 0.000 0.195 913 G HA3 0.063 4.145 3.960 0.203 0.000 0.195 913 G C -1.058 173.707 174.900 -0.226 0.000 0.806 913 G CA -0.193 44.900 45.100 -0.013 0.000 0.774 913 G HN 0.697 nan 8.290 nan 0.000 0.508 914 H N 0.313 119.435 119.070 0.086 0.000 3.172 914 H HA 0.551 5.228 4.556 0.202 0.000 0.322 914 H C -0.687 174.777 175.328 0.226 0.000 1.003 914 H CA -0.714 55.413 56.048 0.132 0.000 1.466 914 H CB 0.952 30.790 29.762 0.127 0.000 1.673 914 H HN 0.329 nan 8.280 nan 0.000 0.512 915 F N 0.483 120.474 119.950 0.069 0.000 2.664 915 F HA 0.486 5.135 4.527 0.204 0.000 0.329 915 F C -0.231 175.476 175.800 -0.156 0.000 1.090 915 F CA -1.654 56.330 58.000 -0.028 0.000 0.978 915 F CB 1.526 40.513 39.000 -0.021 0.000 1.378 915 F HN 0.349 nan 8.300 nan 0.000 0.495 916 L N 1.526 122.451 121.223 -0.497 0.000 3.976 916 L HA -0.244 4.218 4.340 0.203 0.000 0.418 916 L C 0.907 177.255 176.870 -0.869 0.000 1.177 916 L CA 0.959 55.224 54.840 -0.958 0.000 0.968 916 L CB -2.102 39.526 42.059 -0.718 0.000 1.933 916 L HN 1.391 nan 8.230 nan 0.000 0.976 917 G N -0.433 108.017 108.800 -0.584 0.000 2.147 917 G HA2 -0.323 3.758 3.960 0.203 0.000 0.244 917 G HA3 -0.323 3.758 3.960 0.203 0.000 0.244 917 G C 0.164 175.152 174.900 0.147 0.000 1.005 917 G CA 0.438 45.423 45.100 -0.193 0.000 0.713 917 G HN 0.687 nan 8.290 nan 0.000 0.515 918 N N 1.086 119.935 118.700 0.249 0.000 3.052 918 N HA 0.426 5.288 4.740 0.203 0.000 0.302 918 N C 1.031 176.889 175.510 0.579 0.000 1.332 918 N CA -0.474 52.846 53.050 0.450 0.000 1.129 918 N CB -0.030 38.636 38.487 0.298 0.000 1.436 918 N HN 0.598 nan 8.380 nan 0.000 0.536 930 V N 6.595 126.672 119.914 0.271 0.000 2.408 930 V HA 0.445 4.687 4.120 0.203 0.000 0.267 930 V C -1.465 174.798 176.094 0.280 0.000 1.047 930 V CA -1.216 61.222 62.300 0.229 0.000 0.937 930 V CB 0.918 32.879 31.823 0.230 0.000 0.999 930 V HN 0.673 nan 8.190 nan 0.000 0.472 931 P HA 0.118 nan 4.420 nan 0.000 0.272 931 P C -0.285 177.145 177.300 0.217 0.000 1.223 931 P CA -0.404 62.800 63.100 0.174 0.000 0.784 931 P CB 0.672 32.417 31.700 0.074 0.000 0.923 932 F N 2.381 122.280 119.950 -0.086 0.000 2.589 932 F HA 0.134 4.783 4.527 0.204 0.000 0.352 932 F C 0.284 176.034 175.800 -0.082 0.000 1.168 932 F CA 0.538 58.415 58.000 -0.205 0.000 1.353 932 F CB 0.306 38.926 39.000 -0.633 0.000 1.116 932 F HN 0.100 nan 8.300 nan 0.000 0.608 933 I N 6.779 127.192 120.570 -0.262 0.000 2.478 933 I HA 0.292 4.583 4.170 0.203 0.000 0.287 933 I C -1.082 175.044 176.117 0.015 0.000 1.042 933 I CA -0.532 60.731 61.300 -0.061 0.000 1.067 933 I CB 1.514 39.494 38.000 -0.033 0.000 1.233 933 I HN 0.488 nan 8.210 nan 0.000 0.431 934 L N 5.559 126.843 121.223 0.102 0.000 2.342 934 L HA 0.398 4.860 4.340 0.203 0.000 0.276 934 L C 0.071 176.996 176.870 0.092 0.000 0.997 934 L CA -0.429 54.517 54.840 0.177 0.000 0.838 934 L CB 2.004 44.192 42.059 0.216 0.000 1.224 934 L HN 0.529 nan 8.230 nan 0.000 0.416 935 T N 1.122 115.664 114.554 -0.020 0.000 2.794 935 T HA 0.024 4.496 4.350 0.203 0.000 0.296 935 T C 0.847 175.526 174.700 -0.036 0.000 0.949 935 T CA -0.157 61.816 62.100 -0.211 0.000 1.101 935 T CB 1.004 69.375 68.868 -0.828 0.000 0.905 935 T HN 0.438 nan 8.240 nan 0.000 0.516 936 Y N 3.429 123.726 120.300 -0.006 0.000 2.062 936 Y HA -0.326 4.346 4.550 0.203 0.000 0.276 936 Y C 1.899 177.856 175.900 0.095 0.000 1.189 936 Y CA 2.144 60.305 58.100 0.102 0.000 1.130 936 Y CB -0.294 38.316 38.460 0.251 0.000 0.959 936 Y HN 0.639 nan 8.280 nan 0.000 0.499 937 D N -0.730 119.692 120.400 0.036 0.000 2.218 937 D HA -0.149 4.612 4.640 0.203 0.000 0.204 937 D C 1.861 178.309 176.300 0.247 0.000 0.976 937 D CA 1.189 55.211 54.000 0.037 0.000 0.853 937 D CB -0.317 40.535 40.800 0.086 0.000 0.939 937 D HN 0.335 nan 8.370 nan 0.000 0.481 938 F N -0.049 119.988 119.950 0.145 0.000 2.149 938 F HA -0.015 4.634 4.527 0.202 0.000 0.294 938 F C 2.489 178.352 175.800 0.105 0.000 1.095 938 F CA 0.120 58.271 58.000 0.252 0.000 1.276 938 F CB -1.218 37.952 39.000 0.283 0.000 1.023 938 F HN -0.155 nan 8.300 nan 0.000 0.480 939 V N 0.031 120.091 119.914 0.243 0.000 2.453 939 V HA -0.326 3.916 4.120 0.203 0.000 0.252 939 V C 2.347 178.445 176.094 0.007 0.000 1.068 939 V CA 2.338 64.719 62.300 0.134 0.000 1.070 939 V CB -1.105 30.803 31.823 0.142 0.000 0.664 939 V HN 0.374 nan 8.190 nan 0.000 0.461 940 H N -0.297 118.630 119.070 -0.240 0.000 2.389 940 H HA -0.073 4.605 4.556 0.203 0.000 0.299 940 H C 2.016 177.252 175.328 -0.154 0.000 1.081 940 H CA 1.845 57.710 56.048 -0.304 0.000 1.345 940 H CB 0.018 29.493 29.762 -0.479 0.000 1.393 940 H HN 0.206 nan 8.280 nan 0.000 0.520 941 V N 0.188 120.030 119.914 -0.121 0.000 2.407 941 V HA -0.153 4.089 4.120 0.203 0.000 0.245 941 V C 2.453 178.438 176.094 -0.182 0.000 1.041 941 V CA 1.535 63.667 62.300 -0.279 0.000 1.040 941 V CB -0.405 31.035 31.823 -0.638 0.000 0.671 941 V HN 0.411 nan 8.190 nan 0.000 0.455 942 I N 0.032 120.587 120.570 -0.024 0.000 2.248 942 I HA -0.326 3.966 4.170 0.203 0.000 0.248 942 I C 2.177 178.300 176.117 0.010 0.000 1.107 942 I CA 1.649 62.967 61.300 0.031 0.000 1.373 942 I CB -0.309 37.661 38.000 -0.050 0.000 1.055 942 I HN 0.381 nan 8.210 nan 0.000 0.418 943 Q N 0.505 120.281 119.800 -0.040 0.000 2.329 943 Q HA 0.000 4.462 4.340 0.203 0.000 0.208 943 Q C 0.141 176.061 176.000 -0.133 0.000 0.934 943 Q CA 0.027 55.798 55.803 -0.054 0.000 0.951 943 Q CB 0.223 28.929 28.738 -0.054 0.000 1.017 943 Q HN 0.428 nan 8.270 nan 0.000 0.490 944 Q N -1.543 118.167 119.800 -0.150 0.000 2.481 944 Q HA -0.266 4.196 4.340 0.203 0.000 0.258 944 Q C 0.536 176.417 176.000 -0.198 0.000 0.961 944 Q CA 0.394 56.115 55.803 -0.137 0.000 1.121 944 Q CB -1.565 27.133 28.738 -0.066 0.000 1.503 944 Q HN 0.743 nan 8.270 nan 0.000 0.544 945 G N -0.463 108.103 108.800 -0.390 0.000 2.131 945 G HA2 -0.287 3.795 3.960 0.203 0.000 0.223 945 G HA3 -0.287 3.795 3.960 0.203 0.000 0.223 945 G C -0.165 174.542 174.900 -0.322 0.000 0.990 945 G CA 0.339 45.143 45.100 -0.494 0.000 0.671 945 G HN 0.217 nan 8.290 nan 0.000 0.521 946 K N -0.054 120.191 120.400 -0.257 0.000 2.156 946 K HA 0.610 5.052 4.320 0.203 0.000 0.254 946 K C 1.500 178.062 176.600 -0.063 0.000 0.950 946 K CA -0.155 56.069 56.287 -0.105 0.000 0.849 946 K CB 1.294 33.755 32.500 -0.066 0.000 1.100 946 K HN 0.013 nan 8.250 nan 0.000 0.434 947 T N 0.979 115.526 114.554 -0.013 0.000 2.684 947 T HA -0.107 4.365 4.350 0.203 0.000 0.267 947 T C 0.341 175.032 174.700 -0.015 0.000 1.036 947 T CA 1.263 63.364 62.100 0.003 0.000 1.148 947 T CB -0.119 68.739 68.868 -0.016 0.000 0.863 947 T HN 0.518 nan 8.240 nan 0.000 0.436 948 N N 1.931 120.618 118.700 -0.022 0.000 2.410 948 N HA 0.342 5.204 4.740 0.203 0.000 0.287 948 N C -1.469 174.038 175.510 -0.006 0.000 1.044 948 N CA -0.416 52.621 53.050 -0.021 0.000 0.881 948 N CB 1.592 40.068 38.487 -0.018 0.000 1.405 948 N HN 0.072 nan 8.380 nan 0.000 0.490 949 N N 0.707 119.415 118.700 0.015 0.000 2.751 949 N HA 0.024 4.886 4.740 0.203 0.000 0.234 949 N C 0.093 175.665 175.510 0.103 0.000 1.403 949 N CA -0.274 52.801 53.050 0.042 0.000 0.747 949 N CB 0.421 38.923 38.487 0.025 0.000 1.326 949 N HN 0.416 nan 8.380 nan 0.000 0.532 950 S N 0.545 116.303 115.700 0.097 0.000 2.501 950 S HA -0.039 4.553 4.470 0.203 0.000 0.220 950 S C 1.459 176.152 174.600 0.155 0.000 0.997 950 S CA 0.644 58.941 58.200 0.163 0.000 0.919 950 S CB 0.070 63.341 63.200 0.118 0.000 0.778 950 S HN 0.557 nan 8.310 nan 0.000 0.523 951 E N 1.844 122.101 120.200 0.095 0.000 2.049 951 E HA -0.221 4.251 4.350 0.203 0.000 0.198 951 E C 1.838 178.484 176.600 0.077 0.000 1.007 951 E CA 1.411 57.852 56.400 0.068 0.000 0.809 951 E CB -0.060 29.668 29.700 0.046 0.000 0.749 951 E HN 0.286 nan 8.360 nan 0.000 0.450 952 K N -0.166 120.295 120.400 0.101 0.000 2.076 952 K HA -0.088 4.354 4.320 0.203 0.000 0.204 952 K C 2.060 178.751 176.600 0.151 0.000 1.051 952 K CA 0.874 57.222 56.287 0.101 0.000 0.949 952 K CB -0.604 31.951 32.500 0.093 0.000 0.726 952 K HN 0.225 nan 8.250 nan 0.000 0.443 953 F N 3.028 123.030 119.950 0.087 0.000 2.126 953 F HA -0.201 4.447 4.527 0.203 0.000 0.299 953 F C 1.985 177.915 175.800 0.218 0.000 1.096 953 F CA 1.624 59.726 58.000 0.170 0.000 1.255 953 F CB 0.162 39.254 39.000 0.152 0.000 0.997 953 F HN 0.010 nan 8.300 nan 0.000 0.479 954 E N 0.175 120.452 120.200 0.129 0.000 2.216 954 E HA -0.107 4.364 4.350 0.203 0.000 0.192 954 E C 2.358 178.845 176.600 -0.188 0.000 0.988 954 E CA 0.540 56.923 56.400 -0.029 0.000 0.834 954 E CB -0.383 29.358 29.700 0.068 0.000 0.772 954 E HN 0.495 nan 8.360 nan 0.000 0.479 955 R N 0.039 120.430 120.500 -0.183 0.000 2.096 955 R HA -0.160 4.302 4.340 0.203 0.000 0.240 955 R C 2.293 178.191 176.300 -0.670 0.000 1.139 955 R CA 1.409 57.264 56.100 -0.409 0.000 0.952 955 R CB -0.547 29.557 30.300 -0.327 0.000 0.854 955 R HN 0.163 nan 8.270 nan 0.000 0.436 956 F N 1.801 121.445 119.950 -0.510 0.000 2.069 956 F HA -0.247 4.402 4.527 0.203 0.000 0.298 956 F C 2.614 178.221 175.800 -0.322 0.000 1.113 956 F CA 1.672 59.471 58.000 -0.335 0.000 1.214 956 F CB -0.324 38.559 39.000 -0.195 0.000 0.978 956 F HN -0.155 nan 8.300 nan 0.000 0.474 957 R N 0.338 120.476 120.500 -0.602 0.000 2.096 957 R HA -0.180 4.281 4.340 0.203 0.000 0.240 957 R C 2.507 178.456 176.300 -0.585 0.000 1.139 957 R CA 1.769 57.383 56.100 -0.810 0.000 0.952 957 R CB -1.328 28.528 30.300 -0.740 0.000 0.854 957 R HN 0.520 nan 8.270 nan 0.000 0.436 958 G N 0.218 108.753 108.800 -0.441 0.000 2.553 958 G HA2 -0.322 3.760 3.960 0.203 0.000 0.218 958 G HA3 -0.322 3.760 3.960 0.203 0.000 0.218 958 G C 1.049 175.815 174.900 -0.225 0.000 1.195 958 G CA 1.335 46.239 45.100 -0.326 0.000 0.779 958 G HN 0.344 nan 8.290 nan 0.000 0.577 959 Y N 0.679 120.834 120.300 -0.242 0.000 2.053 959 Y HA -0.187 4.485 4.550 0.203 0.000 0.277 959 Y C 3.315 179.021 175.900 -0.324 0.000 1.159 959 Y CA 0.349 58.297 58.100 -0.253 0.000 1.125 959 Y CB -1.474 36.865 38.460 -0.200 0.000 0.969 959 Y HN 0.254 nan 8.280 nan 0.000 0.492 960 C N 0.193 119.362 119.300 -0.219 0.000 2.375 960 C HA -0.264 4.318 4.460 0.203 0.000 0.274 960 C C 2.626 177.500 174.990 -0.194 0.000 1.190 960 C CA 1.445 60.356 59.018 -0.177 0.000 1.775 960 C CB -1.131 26.486 27.740 -0.206 0.000 2.067 960 C HN 0.582 nan 8.230 nan 0.000 0.463 961 E N 0.027 120.075 120.200 -0.253 0.000 2.077 961 E HA -0.205 4.267 4.350 0.203 0.000 0.193 961 E C 2.378 178.873 176.600 -0.176 0.000 0.989 961 E CA 1.092 57.336 56.400 -0.262 0.000 0.800 961 E CB -0.261 29.312 29.700 -0.212 0.000 0.746 961 E HN 0.607 nan 8.360 nan 0.000 0.452 962 R N 0.398 120.818 120.500 -0.133 0.000 2.073 962 R HA -0.101 4.360 4.340 0.203 0.000 0.234 962 R C 2.347 178.591 176.300 -0.093 0.000 1.134 962 R CA 1.315 57.360 56.100 -0.092 0.000 0.952 962 R CB -0.251 30.009 30.300 -0.067 0.000 0.850 962 R HN 0.105 nan 8.270 nan 0.000 0.433 963 A N -0.086 122.613 122.820 -0.202 0.000 1.930 963 A HA -0.191 4.251 4.320 0.203 0.000 0.217 963 A C 1.926 179.650 177.584 0.235 0.000 1.175 963 A CA 1.017 52.910 52.037 -0.239 0.000 0.627 963 A CB -0.655 17.838 19.000 -0.846 0.000 0.815 963 A HN 0.432 nan 8.150 nan 0.000 0.443 964 Y N 2.165 122.406 120.300 -0.098 0.000 2.097 964 Y HA -0.255 4.417 4.550 0.203 0.000 0.282 964 Y C 2.869 178.722 175.900 -0.078 0.000 1.152 964 Y CA 2.474 60.480 58.100 -0.156 0.000 1.136 964 Y CB -0.929 37.093 38.460 -0.729 0.000 0.975 964 Y HN 0.443 nan 8.280 nan 0.000 0.498 965 T N -1.434 112.996 114.554 -0.207 0.000 2.833 965 T HA -0.191 4.280 4.350 0.203 0.000 0.269 965 T C 2.013 176.661 174.700 -0.087 0.000 1.054 965 T CA 1.740 63.708 62.100 -0.220 0.000 1.135 965 T CB -0.853 67.946 68.868 -0.115 0.000 0.869 965 T HN 0.382 nan 8.240 nan 0.000 0.466 966 I N 1.097 121.710 120.570 0.073 0.000 2.202 966 I HA -0.064 4.228 4.170 0.203 0.000 0.242 966 I C 2.538 178.778 176.117 0.205 0.000 1.091 966 I CA 1.078 62.493 61.300 0.192 0.000 1.368 966 I CB -0.440 37.782 38.000 0.370 0.000 1.058 966 I HN 0.172 nan 8.210 nan 0.000 0.410 967 L N 0.103 121.439 121.223 0.188 0.000 2.081 967 L HA -0.258 4.204 4.340 0.203 0.000 0.212 967 L C 2.718 179.593 176.870 0.008 0.000 1.080 967 L CA 1.504 56.405 54.840 0.102 0.000 0.754 967 L CB -0.778 41.261 42.059 -0.034 0.000 0.893 967 L HN 0.233 nan 8.230 nan 0.000 0.433 968 R N -0.075 120.317 120.500 -0.179 0.000 2.127 968 R HA -0.138 4.324 4.340 0.203 0.000 0.238 968 R C 2.376 178.609 176.300 -0.111 0.000 1.134 968 R CA 1.130 57.106 56.100 -0.207 0.000 0.975 968 R CB -0.209 29.892 30.300 -0.332 0.000 0.865 968 R HN 0.407 nan 8.270 nan 0.000 0.447 969 R N -0.647 119.791 120.500 -0.102 0.000 2.189 969 R HA -0.072 4.389 4.340 0.203 0.000 0.218 969 R C 0.560 176.666 176.300 -0.322 0.000 1.074 969 R CA 0.995 56.973 56.100 -0.203 0.000 0.991 969 R CB -0.015 30.137 30.300 -0.247 0.000 0.883 969 R HN 0.416 nan 8.270 nan 0.000 0.457 970 H N -1.341 117.755 119.070 0.043 0.000 2.469 970 H HA 0.201 4.879 4.556 0.203 0.000 0.286 970 H C 1.541 176.957 175.328 0.147 0.000 1.106 970 H CA 0.006 56.089 56.048 0.058 0.000 1.055 970 H CB 0.675 30.466 29.762 0.049 0.000 1.618 970 H HN 0.229 nan 8.280 nan 0.000 0.559 971 G N 0.877 109.767 108.800 0.150 0.000 2.529 971 G HA2 -0.291 3.791 3.960 0.203 0.000 0.219 971 G HA3 -0.291 3.791 3.960 0.203 0.000 0.219 971 G C 1.547 176.488 174.900 0.068 0.000 1.177 971 G CA 0.843 46.014 45.100 0.119 0.000 0.773 971 G HN 0.377 nan 8.290 nan 0.000 0.573 972 L N -0.246 120.939 121.223 -0.062 0.000 2.079 972 L HA -0.101 4.361 4.340 0.203 0.000 0.210 972 L C 2.715 179.395 176.870 -0.317 0.000 1.081 972 L CA 0.830 55.512 54.840 -0.264 0.000 0.752 972 L CB -0.447 41.432 42.059 -0.300 0.000 0.896 972 L HN 0.279 nan 8.230 nan 0.000 0.433 973 L N -0.705 120.440 121.223 -0.130 0.000 2.012 973 L HA -0.212 4.249 4.340 0.203 0.000 0.210 973 L C 2.296 179.055 176.870 -0.186 0.000 1.073 973 L CA 1.844 56.577 54.840 -0.179 0.000 0.748 973 L CB -0.556 41.381 42.059 -0.203 0.000 0.891 973 L HN 0.009 nan 8.230 nan 0.000 0.431 974 F N -0.577 119.369 119.950 -0.008 0.000 2.102 974 F HA -0.229 4.420 4.527 0.203 0.000 0.298 974 F C 2.322 178.219 175.800 0.162 0.000 1.105 974 F CA 1.636 59.698 58.000 0.103 0.000 1.239 974 F CB -0.801 38.217 39.000 0.030 0.000 0.991 974 F HN 0.003 nan 8.300 nan 0.000 0.474 975 L N -0.663 120.665 121.223 0.173 0.000 1.990 975 L HA -0.314 4.147 4.340 0.203 0.000 0.213 975 L C 2.445 179.420 176.870 0.175 0.000 1.072 975 L CA 2.032 56.927 54.840 0.092 0.000 0.755 975 L CB -1.159 40.872 42.059 -0.046 0.000 0.889 975 L HN 0.304 nan 8.230 nan 0.000 0.432 976 H N -0.707 118.405 119.070 0.070 0.000 2.421 976 H HA -0.121 4.556 4.556 0.203 0.000 0.298 976 H C 2.425 177.762 175.328 0.014 0.000 1.087 976 H CA 0.668 56.731 56.048 0.026 0.000 1.330 976 H CB 0.162 29.899 29.762 -0.042 0.000 1.388 976 H HN 0.263 nan 8.280 nan 0.000 0.526 977 L N -0.460 120.840 121.223 0.128 0.000 2.056 977 L HA -0.163 4.299 4.340 0.203 0.000 0.207 977 L C 1.866 178.755 176.870 0.032 0.000 1.078 977 L CA 0.944 55.790 54.840 0.011 0.000 0.749 977 L CB -0.257 41.754 42.059 -0.079 0.000 0.901 977 L HN 0.240 nan 8.230 nan 0.000 0.433 978 F N -0.058 119.911 119.950 0.032 0.000 2.186 978 F HA -0.132 4.517 4.527 0.203 0.000 0.299 978 F C 2.585 178.412 175.800 0.045 0.000 1.090 978 F CA 1.027 59.046 58.000 0.032 0.000 1.307 978 F CB -0.709 38.300 39.000 0.015 0.000 1.019 978 F HN 0.003 nan 8.300 nan 0.000 0.489 979 A N 0.293 123.260 122.820 0.245 0.000 1.927 979 A HA -0.213 4.228 4.320 0.203 0.000 0.220 979 A C 2.240 179.921 177.584 0.162 0.000 1.185 979 A CA 1.864 54.012 52.037 0.185 0.000 0.639 979 A CB -1.115 17.999 19.000 0.190 0.000 0.820 979 A HN 0.418 nan 8.150 nan 0.000 0.451 980 L N -1.630 119.662 121.223 0.115 0.000 2.131 980 L HA -0.100 4.362 4.340 0.203 0.000 0.206 980 L C 2.643 179.515 176.870 0.004 0.000 1.087 980 L CA 0.622 55.517 54.840 0.091 0.000 0.767 980 L CB -0.463 41.613 42.059 0.029 0.000 0.917 980 L HN 0.300 nan 8.230 nan 0.000 0.441 981 M N -0.103 119.472 119.600 -0.042 0.000 2.279 981 M HA -0.148 4.453 4.480 0.203 0.000 0.264 981 M C 2.209 178.484 176.300 -0.041 0.000 1.062 981 M CA 1.461 56.703 55.300 -0.096 0.000 1.099 981 M CB -1.005 31.487 32.600 -0.181 0.000 1.394 981 M HN 0.199 nan 8.290 nan 0.000 0.426 982 R N -0.240 120.285 120.500 0.042 0.000 2.261 982 R HA -0.128 4.333 4.340 0.203 0.000 0.236 982 R C 1.983 178.286 176.300 0.004 0.000 1.141 982 R CA 1.240 57.375 56.100 0.058 0.000 1.001 982 R CB -0.634 29.733 30.300 0.112 0.000 0.866 982 R HN 0.383 nan 8.270 nan 0.000 0.468 983 A N 0.969 123.734 122.820 -0.092 0.000 2.121 983 A HA -0.003 4.439 4.320 0.203 0.000 0.218 983 A C 2.192 179.621 177.584 -0.258 0.000 1.154 983 A CA 1.351 53.181 52.037 -0.346 0.000 0.679 983 A CB -0.242 18.209 19.000 -0.914 0.000 0.795 983 A HN 0.372 nan 8.150 nan 0.000 0.458 984 A N -1.714 121.006 122.820 -0.167 0.000 2.169 984 A HA 0.382 4.824 4.320 0.203 0.000 0.212 984 A C 2.013 179.533 177.584 -0.107 0.000 1.153 984 A CA 1.266 53.222 52.037 -0.135 0.000 0.756 984 A CB -0.839 18.094 19.000 -0.112 0.000 0.813 984 A HN 1.758 nan 8.150 nan 0.000 0.471 985 G N -1.440 107.304 108.800 -0.093 0.000 2.189 985 G HA2 -0.232 3.850 3.960 0.203 0.000 0.267 985 G HA3 -0.232 3.850 3.960 0.203 0.000 0.267 985 G C 0.022 174.898 174.900 -0.041 0.000 0.975 985 G CA 0.339 45.395 45.100 -0.073 0.000 0.644 985 G HN 0.424 nan 8.290 nan 0.000 0.537 986 L N 1.107 122.312 121.223 -0.030 0.000 2.667 986 L HA 0.194 4.656 4.340 0.203 0.000 0.278 986 L C -0.291 176.589 176.870 0.017 0.000 1.217 986 L CA -0.188 54.644 54.840 -0.014 0.000 0.935 986 L CB 0.415 42.473 42.059 -0.000 0.000 1.193 986 L HN -0.011 nan 8.230 nan 0.000 0.493 987 P HA -0.114 nan 4.420 nan 0.000 0.223 987 P C 0.954 178.289 177.300 0.059 0.000 1.151 987 P CA 0.732 63.843 63.100 0.019 0.000 0.787 987 P CB 0.309 32.009 31.700 0.000 0.000 0.788 988 E N -1.151 119.106 120.200 0.095 0.000 2.476 988 E HA 0.074 4.546 4.350 0.203 0.000 0.191 988 E C -0.157 176.611 176.600 0.279 0.000 1.064 988 E CA -0.010 56.510 56.400 0.199 0.000 0.866 988 E CB -0.201 29.649 29.700 0.250 0.000 0.952 988 E HN -0.022 nan 8.360 nan 0.000 0.492 989 L N 0.006 121.350 121.223 0.201 0.000 2.475 989 L HA 0.275 4.737 4.340 0.203 0.000 0.253 989 L C -0.228 176.699 176.870 0.095 0.000 1.483 989 L CA 0.132 55.078 54.840 0.177 0.000 0.869 989 L CB 0.805 43.019 42.059 0.258 0.000 1.086 989 L HN -0.124 nan 8.230 nan 0.000 0.514 990 S N -0.738 115.003 115.700 0.068 0.000 2.539 990 S HA 0.308 4.899 4.470 0.203 0.000 0.226 990 S C 0.513 175.125 174.600 0.020 0.000 1.054 990 S CA 0.349 58.568 58.200 0.031 0.000 0.910 990 S CB 0.319 63.534 63.200 0.024 0.000 0.818 990 S HN 0.699 nan 8.310 nan 0.000 0.490 991 C N -0.772 118.547 119.300 0.032 0.000 3.276 991 C HA 0.646 5.228 4.460 0.203 0.000 0.370 991 C C 1.637 176.644 174.990 0.028 0.000 1.624 991 C CA -0.411 58.620 59.018 0.022 0.000 1.179 991 C CB 0.707 28.454 27.740 0.013 0.000 1.909 991 C HN 0.110 nan 8.230 nan 0.000 0.434 992 S N 0.591 116.302 115.700 0.019 0.000 2.365 992 S HA -0.244 4.348 4.470 0.203 0.000 0.225 992 S C 1.702 176.312 174.600 0.017 0.000 1.039 992 S CA 2.343 60.552 58.200 0.016 0.000 1.033 992 S CB -0.578 62.627 63.200 0.008 0.000 0.887 992 S HN 0.845 nan 8.310 nan 0.000 0.447 993 K N 1.086 121.501 120.400 0.025 0.000 2.228 993 K HA -0.164 4.278 4.320 0.203 0.000 0.205 993 K C 1.300 177.929 176.600 0.048 0.000 1.045 993 K CA 1.565 57.873 56.287 0.035 0.000 0.931 993 K CB -0.151 32.378 32.500 0.047 0.000 0.727 993 K HN 0.273 nan 8.250 nan 0.000 0.458 994 D N -0.399 120.023 120.400 0.036 0.000 2.149 994 D HA -0.066 4.696 4.640 0.203 0.000 0.206 994 D C 1.701 177.981 176.300 -0.033 0.000 0.967 994 D CA 0.835 54.841 54.000 0.010 0.000 0.848 994 D CB -0.101 40.702 40.800 0.005 0.000 0.998 994 D HN 0.107 nan 8.370 nan 0.000 0.474 995 I N 0.975 121.531 120.570 -0.024 0.000 2.454 995 I HA -0.209 4.083 4.170 0.203 0.000 0.254 995 I C 2.241 178.322 176.117 -0.061 0.000 1.156 995 I CA 0.938 62.205 61.300 -0.054 0.000 1.433 995 I CB -0.144 37.860 38.000 0.006 0.000 1.082 995 I HN -0.112 nan 8.210 nan 0.000 0.432 996 Q N -0.480 119.305 119.800 -0.026 0.000 2.119 996 Q HA -0.251 4.211 4.340 0.203 0.000 0.201 996 Q C 2.199 178.167 176.000 -0.053 0.000 0.972 996 Q CA 1.627 57.408 55.803 -0.037 0.000 0.847 996 Q CB -0.575 28.151 28.738 -0.021 0.000 0.903 996 Q HN 0.593 nan 8.270 nan 0.000 0.433 997 Y N 0.002 120.222 120.300 -0.133 0.000 2.114 997 Y HA -0.306 4.366 4.550 0.204 0.000 0.282 997 Y C 1.781 177.557 175.900 -0.207 0.000 1.165 997 Y CA 1.942 59.947 58.100 -0.158 0.000 1.148 997 Y CB -0.129 38.225 38.460 -0.176 0.000 0.972 997 Y HN 0.158 nan 8.280 nan 0.000 0.504 998 L N 0.063 121.260 121.223 -0.045 0.000 2.012 998 L HA -0.293 4.168 4.340 0.203 0.000 0.210 998 L C 2.484 179.264 176.870 -0.151 0.000 1.073 998 L CA 1.766 56.502 54.840 -0.174 0.000 0.748 998 L CB -0.533 41.312 42.059 -0.357 0.000 0.891 998 L HN 0.268 nan 8.230 nan 0.000 0.431 999 K N -0.137 120.188 120.400 -0.125 0.000 2.034 999 K HA -0.238 4.203 4.320 0.203 0.000 0.214 999 K C 1.685 178.222 176.600 -0.105 0.000 1.051 999 K CA 1.950 58.177 56.287 -0.100 0.000 0.931 999 K CB -0.433 32.018 32.500 -0.082 0.000 0.715 999 K HN 0.397 nan 8.250 nan 0.000 0.446 1000 D N 0.523 120.836 120.400 -0.145 0.000 2.097 1000 D HA -0.138 4.624 4.640 0.203 0.000 0.195 1000 D C 2.186 178.422 176.300 -0.106 0.000 0.989 1000 D CA 1.786 55.693 54.000 -0.156 0.000 0.827 1000 D CB -0.340 40.317 40.800 -0.239 0.000 0.966 1000 D HN 0.253 nan 8.370 nan 0.000 0.456 1001 S N 0.736 116.325 115.700 -0.185 0.000 2.368 1001 S HA -0.106 4.486 4.470 0.203 0.000 0.225 1001 S C 2.005 176.691 174.600 0.144 0.000 1.030 1001 S CA 0.596 58.718 58.200 -0.129 0.000 0.999 1001 S CB -0.681 62.350 63.200 -0.283 0.000 0.844 1001 S HN 0.232 nan 8.310 nan 0.000 0.459 1002 L N 1.933 123.186 121.223 0.049 0.000 2.645 1002 L HA 0.334 4.795 4.340 0.203 0.000 0.235 1002 L C 1.310 178.221 176.870 0.068 0.000 1.150 1002 L CA 0.064 54.937 54.840 0.055 0.000 0.911 1002 L CB -1.045 40.953 42.059 -0.102 0.000 1.077 1002 L HN 0.480 nan 8.230 nan 0.000 0.438 1003 A N 0.688 123.581 122.820 0.122 0.000 2.089 1003 A HA -0.230 4.212 4.320 0.203 0.000 0.265 1003 A C 1.569 179.141 177.584 -0.019 0.000 1.315 1003 A CA 0.475 52.531 52.037 0.032 0.000 0.768 1003 A CB -0.988 18.061 19.000 0.081 0.000 1.112 1003 A HN 0.417 nan 8.150 nan 0.000 0.336 1004 L N 0.303 121.498 121.223 -0.047 0.000 2.240 1004 L HA -0.033 4.429 4.340 0.203 0.000 0.211 1004 L C 2.224 179.061 176.870 -0.054 0.000 1.106 1004 L CA 2.296 57.100 54.840 -0.059 0.000 0.793 1004 L CB -1.203 40.816 42.059 -0.066 0.000 0.927 1004 L HN 0.710 nan 8.230 nan 0.000 0.446 1005 G N -0.371 108.396 108.800 -0.055 0.000 2.598 1005 G HA2 -0.115 3.966 3.960 0.203 0.000 0.215 1005 G HA3 -0.115 3.966 3.960 0.203 0.000 0.215 1005 G C 0.953 175.826 174.900 -0.045 0.000 1.131 1005 G CA 0.036 45.106 45.100 -0.051 0.000 0.785 1005 G HN 0.296 nan 8.290 nan 0.000 0.539 1006 K N 0.115 120.489 120.400 -0.044 0.000 2.210 1006 K HA 0.430 4.872 4.320 0.203 0.000 0.236 1006 K C 0.372 176.959 176.600 -0.022 0.000 1.016 1006 K CA -0.478 55.789 56.287 -0.033 0.000 0.913 1006 K CB 0.880 33.361 32.500 -0.033 0.000 1.141 1006 K HN 0.097 nan 8.250 nan 0.000 0.462 1007 T N -2.385 112.163 114.554 -0.011 0.000 2.828 1007 T HA 0.032 4.504 4.350 0.203 0.000 0.290 1007 T C 1.111 175.811 174.700 -0.000 0.000 1.019 1007 T CA -0.339 61.757 62.100 -0.008 0.000 1.031 1007 T CB 1.203 70.070 68.868 -0.002 0.000 1.001 1007 T HN 0.668 nan 8.240 nan 0.000 0.531 1008 E N 0.002 120.197 120.200 -0.008 0.000 2.204 1008 E HA -0.155 4.317 4.350 0.203 0.000 0.194 1008 E C 1.764 178.375 176.600 0.018 0.000 0.989 1008 E CA 0.960 57.356 56.400 -0.006 0.000 0.824 1008 E CB 0.048 29.733 29.700 -0.026 0.000 0.756 1008 E HN 0.834 nan 8.360 nan 0.000 0.477 1009 E N 0.820 121.030 120.200 0.017 0.000 2.072 1009 E HA -0.163 4.309 4.350 0.203 0.000 0.191 1009 E C 1.657 178.286 176.600 0.048 0.000 0.985 1009 E CA 1.306 57.721 56.400 0.026 0.000 0.801 1009 E CB 0.147 29.858 29.700 0.017 0.000 0.750 1009 E HN 0.282 nan 8.360 nan 0.000 0.452 1010 E N -0.059 120.169 120.200 0.047 0.000 1.998 1010 E HA -0.187 4.284 4.350 0.203 0.000 0.196 1010 E C 2.126 178.798 176.600 0.120 0.000 1.003 1010 E CA 0.829 57.268 56.400 0.064 0.000 0.829 1010 E CB -0.380 29.341 29.700 0.034 0.000 0.777 1010 E HN 0.314 nan 8.360 nan 0.000 0.460 1011 A N 1.405 124.299 122.820 0.124 0.000 1.944 1011 A HA -0.279 4.163 4.320 0.203 0.000 0.222 1011 A C 2.187 179.981 177.584 0.351 0.000 1.237 1011 A CA 1.869 54.050 52.037 0.241 0.000 0.668 1011 A CB -0.930 18.183 19.000 0.189 0.000 0.830 1011 A HN 0.246 nan 8.150 nan 0.000 0.471 1012 L N -0.468 120.897 121.223 0.237 0.000 2.042 1012 L HA -0.162 4.300 4.340 0.203 0.000 0.210 1012 L C 2.348 179.333 176.870 0.192 0.000 1.076 1012 L CA 2.770 57.738 54.840 0.212 0.000 0.749 1012 L CB -0.812 41.308 42.059 0.102 0.000 0.893 1012 L HN 0.524 nan 8.230 nan 0.000 0.432 1013 K N -1.145 119.344 120.400 0.147 0.000 2.009 1013 K HA -0.274 4.168 4.320 0.203 0.000 0.210 1013 K C 2.285 178.963 176.600 0.130 0.000 1.049 1013 K CA 2.043 58.397 56.287 0.111 0.000 0.929 1013 K CB -0.607 31.948 32.500 0.092 0.000 0.714 1013 K HN 0.503 nan 8.250 nan 0.000 0.440 1014 H N -0.770 118.351 119.070 0.085 0.000 2.251 1014 H HA -0.172 4.506 4.556 0.203 0.000 0.294 1014 H C 1.785 177.140 175.328 0.046 0.000 1.078 1014 H CA 2.584 58.676 56.048 0.072 0.000 1.246 1014 H CB -0.791 29.037 29.762 0.110 0.000 1.358 1014 H HN 0.278 nan 8.280 nan 0.000 0.488 1015 F N 1.164 121.073 119.950 -0.068 0.000 2.115 1015 F HA -0.270 4.379 4.527 0.203 0.000 0.300 1015 F C 2.588 178.213 175.800 -0.293 0.000 1.092 1015 F CA 2.044 59.866 58.000 -0.298 0.000 1.245 1015 F CB -0.277 38.510 39.000 -0.355 0.000 0.995 1015 F HN 0.089 nan 8.300 nan 0.000 0.481 1016 R N -0.519 119.931 120.500 -0.084 0.000 2.096 1016 R HA -0.134 4.328 4.340 0.203 0.000 0.235 1016 R C 2.179 178.383 176.300 -0.159 0.000 1.127 1016 R CA 1.495 57.517 56.100 -0.129 0.000 0.968 1016 R CB -0.723 29.561 30.300 -0.028 0.000 0.861 1016 R HN 0.245 nan 8.270 nan 0.000 0.440 1017 V N 1.815 121.632 119.914 -0.161 0.000 2.233 1017 V HA -0.318 3.924 4.120 0.203 0.000 0.247 1017 V C 2.240 178.189 176.094 -0.241 0.000 1.050 1017 V CA 1.793 63.997 62.300 -0.160 0.000 1.010 1017 V CB -0.410 31.328 31.823 -0.141 0.000 0.637 1017 V HN 0.305 nan 8.190 nan 0.000 0.444 1018 K N -0.678 119.485 120.400 -0.396 0.000 2.074 1018 K HA -0.237 4.205 4.320 0.203 0.000 0.209 1018 K C 2.102 178.413 176.600 -0.482 0.000 1.048 1018 K CA 2.089 58.101 56.287 -0.458 0.000 0.926 1018 K CB -0.707 31.405 32.500 -0.646 0.000 0.713 1018 K HN 0.522 nan 8.250 nan 0.000 0.444 1019 F N 3.061 122.516 119.950 -0.824 0.000 2.084 1019 F HA -0.158 4.491 4.527 0.203 0.000 0.296 1019 F C 2.026 177.640 175.800 -0.310 0.000 1.111 1019 F CA 1.327 58.838 58.000 -0.815 0.000 1.224 1019 F CB -0.261 38.127 39.000 -1.019 0.000 0.991 1019 F HN 0.027 nan 8.300 nan 0.000 0.471 1020 N N 0.870 119.588 118.700 0.030 0.000 2.061 1020 N HA -0.245 4.617 4.740 0.203 0.000 0.193 1020 N C 1.767 177.231 175.510 -0.077 0.000 1.030 1020 N CA 1.941 55.006 53.050 0.025 0.000 0.856 1020 N CB -0.728 37.781 38.487 0.038 0.000 1.023 1020 N HN 0.522 nan 8.380 nan 0.000 0.424 1021 E N 0.576 120.706 120.200 -0.117 0.000 2.130 1021 E HA -0.153 4.319 4.350 0.203 0.000 0.196 1021 E C 1.855 178.396 176.600 -0.098 0.000 0.998 1021 E CA 1.235 57.573 56.400 -0.104 0.000 0.806 1021 E CB -0.072 29.556 29.700 -0.120 0.000 0.738 1021 E HN 0.409 nan 8.360 nan 0.000 0.459 1022 A N 0.622 123.355 122.820 -0.145 0.000 1.968 1022 A HA -0.110 4.332 4.320 0.203 0.000 0.217 1022 A C 2.034 179.570 177.584 -0.080 0.000 1.169 1022 A CA 0.587 52.572 52.037 -0.087 0.000 0.638 1022 A CB -0.289 18.703 19.000 -0.014 0.000 0.812 1022 A HN 0.173 nan 8.150 nan 0.000 0.446 1023 L N 0.106 121.249 121.223 -0.132 0.000 1.994 1023 L HA -0.120 4.341 4.340 0.203 0.000 0.208 1023 L C 2.420 179.280 176.870 -0.017 0.000 1.071 1023 L CA 1.955 56.762 54.840 -0.056 0.000 0.745 1023 L CB -0.870 41.170 42.059 -0.032 0.000 0.892 1023 L HN 0.366 nan 8.230 nan 0.000 0.431 1024 R N -0.581 119.904 120.500 -0.025 0.000 2.113 1024 R HA -0.268 4.193 4.340 0.203 0.000 0.244 1024 R C 2.215 178.508 176.300 -0.011 0.000 1.142 1024 R CA 1.895 57.986 56.100 -0.014 0.000 0.953 1024 R CB -0.445 29.841 30.300 -0.023 0.000 0.860 1024 R HN 0.346 nan 8.270 nan 0.000 0.438 1025 E N 0.866 121.052 120.200 -0.023 0.000 2.153 1025 E HA -0.089 4.382 4.350 0.203 0.000 0.194 1025 E C 0.135 176.722 176.600 -0.022 0.000 0.988 1025 E CA 0.688 57.068 56.400 -0.034 0.000 0.811 1025 E CB -0.016 29.663 29.700 -0.035 0.000 0.746 1025 E HN 0.112 nan 8.360 nan 0.000 0.466 1026 S N 0.181 115.902 115.700 0.034 0.000 2.481 1026 S HA 0.047 4.639 4.470 0.203 0.000 0.282 1026 S C -0.570 174.139 174.600 0.181 0.000 1.243 1026 S CA -0.335 57.938 58.200 0.122 0.000 1.078 1026 S CB -0.451 62.857 63.200 0.180 0.000 0.916 1026 S HN 0.292 nan 8.310 nan 0.000 0.495 1027 W N 0.000 121.256 121.300 -0.074 0.000 2.388 1027 W HA 0.000 4.781 4.660 0.202 0.000 0.303 1027 W CA 0.000 57.238 57.345 -0.178 0.000 1.226 1027 W CB 0.000 29.222 29.460 -0.397 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535