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 1ldc_1_B DATA FIRST_RESID 102 DATA SEQUENCE TKEDIARKEQ LKSLLPPLDN IINLYDFEYL ASQTLTKQAW AFYSSGANDE DATA SEQUENCE VTHRENHNAY HRIFFKPKIL VDVRKVDIST DMLGSHVDVP FYVSATALCK DATA SEQUENCE LGNPLEGEKD VARGCGQGVT KVPQMISTLA SCSPEEIIEA APSDKQIQWY DATA SEQUENCE QLYVNSDRKI TDDLVKNVEK LGVKALFVTV DAPSLGQREK DMKLKXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXFIDPSLT WKDIEELKKK TKLPIVIKGV DATA SEQUENCE QRTEDVIKAA EIGVSGVVLS NHGGRQLDFS RAPIEVLAET MPILEQRNLK DATA SEQUENCE DKLEVFVDGG VRRGTDVLKA LCLGAKGVGL GRPFLYANSC YGRNGVEKAI DATA SEQUENCE EILRDEIEMS MRLLGVTSIA ELKPDLLDLS TLKARTVGVP NDVLYNEVYE DATA SEQUENCE GPTLTEFEDA 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 102 T HA 0.000 nan 4.350 nan 0.000 0.228 102 T C 0.000 174.698 174.700 -0.004 0.000 1.109 102 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 102 T CB 0.000 68.869 68.868 0.001 0.000 0.612 103 K N -0.549 119.848 120.400 -0.005 0.000 3.456 103 K HA -0.515 nan 4.320 nan 0.000 0.313 103 K C 1.032 177.627 176.600 -0.009 0.000 1.252 103 K CA 2.340 58.623 56.287 -0.006 0.000 0.991 103 K CB -0.622 31.875 32.500 -0.005 0.000 1.259 103 K HN 0.532 8.816 8.250 -0.004 -0.036 0.420 104 E N -0.748 119.446 120.200 -0.011 0.000 2.268 104 E HA -0.257 nan 4.350 nan 0.000 0.195 104 E C 0.538 177.126 176.600 -0.019 0.000 0.995 104 E CA 3.032 59.422 56.400 -0.017 0.000 0.836 104 E CB -0.578 29.110 29.700 -0.021 0.000 0.763 104 E HN -0.283 7.972 8.360 -0.009 0.100 0.491 105 D N -1.546 118.845 120.400 -0.015 0.000 2.244 105 D HA -0.348 nan 4.640 nan 0.000 0.197 105 D C 1.738 178.028 176.300 -0.017 0.000 1.006 105 D CA 2.851 56.842 54.000 -0.015 0.000 0.888 105 D CB -1.352 39.442 40.800 -0.011 0.000 0.912 105 D HN 0.446 8.780 8.370 -0.012 0.029 0.452 106 I N -0.267 120.294 120.570 -0.015 0.000 2.090 106 I HA -0.451 nan 4.170 nan 0.000 0.236 106 I C 1.934 178.039 176.117 -0.020 0.000 1.064 106 I CA 2.252 63.543 61.300 -0.015 0.000 1.324 106 I CB -1.700 36.293 38.000 -0.013 0.000 1.044 106 I HN -0.762 7.415 8.210 -0.014 0.025 0.399 107 A N -0.002 122.805 122.820 -0.022 0.000 1.884 107 A HA -0.411 nan 4.320 nan 0.000 0.219 107 A C 2.427 179.990 177.584 -0.035 0.000 1.197 107 A CA 3.343 55.364 52.037 -0.027 0.000 0.637 107 A CB -1.037 17.945 19.000 -0.030 0.000 0.827 107 A HN -0.447 7.624 8.150 -0.020 0.067 0.450 108 R N -2.331 118.147 120.500 -0.038 0.000 2.083 108 R HA -0.285 nan 4.340 nan 0.000 0.237 108 R C 2.732 179.008 176.300 -0.039 0.000 1.137 108 R CA 3.114 59.188 56.100 -0.044 0.000 0.951 108 R CB -0.274 30.002 30.300 -0.039 0.000 0.851 108 R HN 0.221 8.471 8.270 -0.033 0.000 0.434 109 K N -1.927 118.455 120.400 -0.030 0.000 2.418 109 K HA -0.047 nan 4.320 nan 0.000 0.195 109 K C 3.007 179.590 176.600 -0.027 0.000 1.035 109 K CA 1.370 57.640 56.287 -0.028 0.000 1.003 109 K CB -0.692 31.794 32.500 -0.022 0.000 0.793 109 K HN -0.061 8.174 8.250 -0.026 0.000 0.494 110 E N -0.090 120.094 120.200 -0.026 0.000 2.250 110 E HA -0.101 nan 4.350 nan 0.000 0.192 110 E C 1.558 178.142 176.600 -0.026 0.000 0.986 110 E CA 1.551 57.938 56.400 -0.022 0.000 0.849 110 E CB -0.575 29.114 29.700 -0.018 0.000 0.797 110 E HN -0.175 8.143 8.360 -0.026 0.027 0.482 111 Q N -1.224 118.554 119.800 -0.036 0.000 1.990 111 Q HA -0.181 nan 4.340 nan 0.000 0.200 111 Q C 2.425 178.397 176.000 -0.047 0.000 0.980 111 Q CA 2.003 57.779 55.803 -0.045 0.000 0.832 111 Q CB 0.379 29.077 28.738 -0.067 0.000 0.897 111 Q HN -0.093 8.154 8.270 -0.038 0.000 0.427 112 L N -2.150 119.040 121.223 -0.054 0.000 1.994 112 L HA -0.176 nan 4.340 nan 0.000 0.208 112 L C 0.061 176.896 176.870 -0.058 0.000 1.071 112 L CA 1.618 56.419 54.840 -0.064 0.000 0.745 112 L CB 0.379 42.402 42.059 -0.060 0.000 0.892 112 L HN -0.074 8.125 8.230 -0.052 0.000 0.431 113 K N -0.518 119.857 120.400 -0.042 0.000 2.363 113 K HA -0.121 nan 4.320 nan 0.000 0.289 113 K C 0.294 176.880 176.600 -0.023 0.000 1.063 113 K CA 0.343 56.611 56.287 -0.033 0.000 0.967 113 K CB -0.290 32.196 32.500 -0.024 0.000 0.987 113 K HN -0.481 7.627 8.250 -0.037 0.120 0.473 114 S N 4.932 120.619 115.700 -0.021 0.000 3.365 114 S HA -0.327 nan 4.470 nan 0.000 0.377 114 S C -0.233 174.368 174.600 0.003 0.000 1.043 114 S CA 1.464 59.661 58.200 -0.004 0.000 1.101 114 S CB -1.371 61.829 63.200 0.000 0.000 0.900 114 S HN 0.516 8.807 8.310 -0.032 0.000 0.480 115 L N -1.939 119.282 121.223 -0.003 0.000 2.470 115 L HA -0.045 nan 4.340 nan 0.000 0.219 115 L C 0.591 177.474 176.870 0.021 0.000 1.071 115 L CA 0.392 55.236 54.840 0.006 0.000 0.850 115 L CB 0.823 42.880 42.059 -0.003 0.000 1.040 115 L HN -0.447 7.709 8.230 -0.014 0.065 0.475 116 L N 1.347 122.581 121.223 0.017 0.000 2.653 116 L HA -0.166 nan 4.340 nan 0.000 0.288 116 L C -1.403 175.545 176.870 0.130 0.000 1.243 116 L CA -0.298 54.582 54.840 0.067 0.000 0.906 116 L CB -0.535 41.541 42.059 0.027 0.000 1.154 116 L HN -0.731 7.493 8.230 -0.009 0.000 0.498 117 P HA 0.297 nan 4.420 nan 0.000 0.271 117 P C -2.196 175.213 177.300 0.181 0.000 1.218 117 P CA -2.021 61.156 63.100 0.129 0.000 0.780 117 P CB -0.441 31.310 31.700 0.084 0.000 0.901 118 P HA -0.194 nan 4.420 nan 0.000 0.255 118 P C 0.741 178.089 177.300 0.080 0.000 1.161 118 P CA 0.821 63.990 63.100 0.115 0.000 0.768 118 P CB 0.113 31.851 31.700 0.063 0.000 0.746 119 L N 4.607 125.896 121.223 0.111 0.000 2.230 119 L HA -0.499 nan 4.340 nan 0.000 0.217 119 L C 0.924 177.747 176.870 -0.078 0.000 1.090 119 L CA 3.110 57.892 54.840 -0.097 0.000 0.771 119 L CB -0.309 41.772 42.059 0.037 0.000 0.892 119 L HN 0.476 8.879 8.230 0.288 0.000 0.438 120 D N -3.672 116.718 120.400 -0.017 0.000 2.351 120 D HA -0.212 nan 4.640 nan 0.000 0.216 120 D C 1.707 177.980 176.300 -0.045 0.000 0.968 120 D CA 2.439 56.427 54.000 -0.020 0.000 0.899 120 D CB -0.685 40.117 40.800 0.002 0.000 0.907 120 D HN 0.289 8.633 8.370 0.019 0.038 0.514 121 N N -2.280 116.382 118.700 -0.063 0.000 2.238 121 N HA 0.048 nan 4.740 nan 0.000 0.222 121 N C -1.070 174.366 175.510 -0.122 0.000 1.133 121 N CA -0.419 52.592 53.050 -0.066 0.000 0.854 121 N CB 1.005 39.475 38.487 -0.028 0.000 1.041 121 N HN 0.021 8.169 8.380 -0.074 0.187 0.510 122 I N 1.135 121.581 120.570 -0.206 0.000 2.304 122 I HA 0.049 nan 4.170 nan 0.000 0.291 122 I C -1.172 174.781 176.117 -0.272 0.000 1.018 122 I CA -1.546 59.545 61.300 -0.348 0.000 1.260 122 I CB -0.672 36.917 38.000 -0.686 0.000 1.390 122 I HN -0.838 7.190 8.210 -0.188 0.069 0.475 123 I N 6.070 126.516 120.570 -0.206 0.000 3.226 123 I HA -0.223 nan 4.170 nan 0.000 0.277 123 I C -0.729 175.305 176.117 -0.138 0.000 1.243 123 I CA 1.053 62.272 61.300 -0.135 0.000 1.459 123 I CB 0.422 38.372 38.000 -0.084 0.000 1.093 123 I HN 0.605 8.891 8.210 -0.185 -0.187 0.453 124 N N -4.220 114.359 118.700 -0.203 0.000 3.185 124 N HA 0.114 nan 4.740 nan 0.000 0.238 124 N C -0.115 175.235 175.510 -0.266 0.000 1.451 124 N CA -0.746 52.201 53.050 -0.173 0.000 0.888 124 N CB 1.446 39.909 38.487 -0.039 0.000 1.413 124 N HN -0.732 7.683 8.380 -0.282 -0.204 0.511 125 L N 0.131 121.203 121.223 -0.253 0.000 2.191 125 L HA -0.283 nan 4.340 nan 0.000 0.212 125 L C 1.227 177.974 176.870 -0.205 0.000 1.103 125 L CA 3.363 58.079 54.840 -0.206 0.000 0.769 125 L CB -0.218 41.630 42.059 -0.352 0.000 0.908 125 L HN 0.740 8.815 8.230 -0.258 0.000 0.438 126 Y N -3.735 116.538 120.300 -0.045 0.000 2.352 126 Y HA -0.427 nan 4.550 nan 0.000 0.292 126 Y C 1.842 177.746 175.900 0.007 0.000 1.136 126 Y CA 2.754 60.850 58.100 -0.007 0.000 1.227 126 Y CB -1.303 37.145 38.460 -0.019 0.000 0.991 126 Y HN -0.123 7.873 8.280 -0.461 0.007 0.545 127 D N 0.353 120.757 120.400 0.007 0.000 2.117 127 D HA -0.264 nan 4.640 nan 0.000 0.198 127 D C 2.301 178.611 176.300 0.017 0.000 0.982 127 D CA 3.630 57.618 54.000 -0.020 0.000 0.828 127 D CB -0.595 40.081 40.800 -0.206 0.000 0.967 127 D HN 0.177 8.347 8.370 -0.087 0.148 0.464 128 F N -1.109 118.873 119.950 0.054 0.000 2.126 128 F HA -0.345 nan 4.527 nan 0.000 0.299 128 F C 1.854 177.697 175.800 0.072 0.000 1.096 128 F CA 2.815 60.863 58.000 0.080 0.000 1.255 128 F CB -0.554 38.492 39.000 0.076 0.000 0.997 128 F HN -0.791 7.321 8.300 -0.313 0.000 0.479 129 E N -0.085 120.244 120.200 0.216 0.000 2.110 129 E HA -0.465 nan 4.350 nan 0.000 0.193 129 E C 2.165 178.789 176.600 0.041 0.000 0.988 129 E CA 3.206 59.579 56.400 -0.044 0.000 0.804 129 E CB -0.124 29.582 29.700 0.009 0.000 0.745 129 E HN -0.573 7.930 8.360 0.238 0.000 0.458 130 Y N 0.681 120.985 120.300 0.007 0.000 2.181 130 Y HA -0.334 nan 4.550 nan 0.000 0.288 130 Y C 2.155 178.010 175.900 -0.075 0.000 1.146 130 Y CA 2.512 60.590 58.100 -0.038 0.000 1.164 130 Y CB -0.067 38.386 38.460 -0.012 0.000 0.982 130 Y HN -0.019 8.339 8.280 0.264 0.080 0.515 131 L N -0.736 120.341 121.223 -0.242 0.000 2.027 131 L HA -0.378 nan 4.340 nan 0.000 0.206 131 L C 2.395 179.151 176.870 -0.189 0.000 1.074 131 L CA 1.817 56.497 54.840 -0.266 0.000 0.745 131 L CB -1.516 40.572 42.059 0.048 0.000 0.898 131 L HN -0.207 8.026 8.230 0.015 0.006 0.433 132 A N -0.798 121.996 122.820 -0.043 0.000 1.865 132 A HA -0.418 nan 4.320 nan 0.000 0.217 132 A C 2.112 179.535 177.584 -0.269 0.000 1.191 132 A CA 3.660 55.712 52.037 0.026 0.000 0.623 132 A CB -0.890 18.259 19.000 0.248 0.000 0.826 132 A HN 0.505 8.686 8.150 0.052 0.000 0.444 133 S N -2.632 112.635 115.700 -0.722 0.000 2.374 133 S HA -0.386 nan 4.470 nan 0.000 0.227 133 S C 1.934 176.084 174.600 -0.750 0.000 1.037 133 S CA 3.580 60.953 58.200 -1.379 0.000 1.024 133 S CB -0.278 62.151 63.200 -1.284 0.000 0.861 133 S HN -0.161 7.824 8.310 -0.542 0.000 0.456 134 Q N -1.807 117.680 119.800 -0.523 0.000 2.373 134 Q HA 0.098 nan 4.340 nan 0.000 0.206 134 Q C 1.591 177.443 176.000 -0.247 0.000 0.942 134 Q CA 0.674 56.259 55.803 -0.363 0.000 0.953 134 Q CB -0.431 28.085 28.738 -0.369 0.000 1.022 134 Q HN -0.367 7.566 8.270 -0.561 0.000 0.502 135 T N -7.125 107.302 114.554 -0.211 0.000 3.336 135 T HA 0.128 nan 4.350 nan 0.000 0.273 135 T C -0.119 174.546 174.700 -0.059 0.000 0.932 135 T CA 0.357 62.388 62.100 -0.115 0.000 0.995 135 T CB 1.783 70.596 68.868 -0.092 0.000 1.213 135 T HN -0.154 7.855 8.240 -0.259 0.076 0.502 136 L N 2.551 123.763 121.223 -0.018 0.000 2.483 136 L HA 0.005 nan 4.340 nan 0.000 0.277 136 L C 0.279 177.170 176.870 0.035 0.000 1.248 136 L CA 0.784 55.663 54.840 0.066 0.000 0.825 136 L CB 0.329 42.518 42.059 0.217 0.000 1.096 136 L HN -0.167 8.037 8.230 -0.042 0.000 0.512 137 T N -5.680 108.898 114.554 0.040 0.000 2.926 137 T HA 0.018 nan 4.350 nan 0.000 0.307 137 T C 1.613 176.348 174.700 0.057 0.000 1.059 137 T CA -0.266 61.849 62.100 0.025 0.000 1.122 137 T CB 0.810 69.683 68.868 0.009 0.000 0.972 137 T HN 0.348 8.616 8.240 0.045 0.000 0.545 138 K N 5.031 125.463 120.400 0.053 0.000 2.059 138 K HA -0.520 nan 4.320 nan 0.000 0.212 138 K C 1.576 178.236 176.600 0.100 0.000 1.050 138 K CA 4.132 60.474 56.287 0.093 0.000 0.927 138 K CB -0.575 31.962 32.500 0.062 0.000 0.714 138 K HN 0.455 8.722 8.250 0.028 0.000 0.447 139 Q N -1.551 118.278 119.800 0.047 0.000 2.082 139 Q HA -0.349 nan 4.340 nan 0.000 0.211 139 Q C 1.918 177.918 176.000 -0.001 0.000 1.002 139 Q CA 3.025 58.839 55.803 0.019 0.000 0.868 139 Q CB -0.870 27.861 28.738 -0.011 0.000 0.931 139 Q HN -0.091 8.208 8.270 0.033 -0.009 0.414 140 A N -1.192 121.597 122.820 -0.050 0.000 1.850 140 A HA -0.155 nan 4.320 nan 0.000 0.212 140 A C 1.443 178.937 177.584 -0.150 0.000 1.208 140 A CA 2.173 54.056 52.037 -0.257 0.000 0.609 140 A CB -0.829 17.973 19.000 -0.329 0.000 0.860 140 A HN -0.597 7.439 8.150 -0.015 0.105 0.448 141 W N 0.150 121.399 121.300 -0.084 0.000 2.298 141 W HA -0.620 nan 4.660 nan 0.000 0.328 141 W C 1.264 177.824 176.519 0.068 0.000 1.259 141 W CA 3.329 60.712 57.345 0.064 0.000 1.251 141 W CB 0.338 29.833 29.460 0.059 0.000 1.161 141 W HN 0.238 8.564 8.180 0.243 0.000 0.466 142 A N -2.351 120.587 122.820 0.198 0.000 1.881 142 A HA -0.498 nan 4.320 nan 0.000 0.219 142 A C 1.654 179.238 177.584 -0.001 0.000 1.215 142 A CA 3.396 55.466 52.037 0.055 0.000 0.648 142 A CB -1.627 17.434 19.000 0.100 0.000 0.832 142 A HN 0.206 8.544 8.150 0.315 0.000 0.455 143 F N -1.412 118.479 119.950 -0.099 0.000 2.293 143 F HA -0.217 nan 4.527 nan 0.000 0.300 143 F C 1.330 177.137 175.800 0.011 0.000 1.086 143 F CA 2.553 60.507 58.000 -0.077 0.000 1.375 143 F CB 0.154 39.088 39.000 -0.110 0.000 1.045 143 F HN -0.773 7.536 8.300 0.128 0.068 0.516 144 Y N -1.451 118.705 120.300 -0.240 0.000 2.269 144 Y HA -0.160 nan 4.550 nan 0.000 0.294 144 Y C 2.558 178.201 175.900 -0.428 0.000 1.120 144 Y CA 0.445 58.326 58.100 -0.366 0.000 1.159 144 Y CB -0.101 38.286 38.460 -0.121 0.000 1.024 144 Y HN 0.310 8.411 8.280 -0.068 0.138 0.532 145 S N -1.188 114.291 115.700 -0.369 0.000 2.501 145 S HA -0.136 nan 4.470 nan 0.000 0.220 145 S C 1.011 175.352 174.600 -0.432 0.000 0.997 145 S CA 1.788 59.671 58.200 -0.530 0.000 0.919 145 S CB 0.238 62.633 63.200 -1.342 0.000 0.778 145 S HN 0.218 8.283 8.310 -0.407 0.000 0.523 146 S N 2.810 118.288 115.700 -0.370 0.000 2.639 146 S HA -0.298 nan 4.470 nan 0.000 0.252 146 S C -0.793 173.520 174.600 -0.479 0.000 1.413 146 S CA 3.468 61.469 58.200 -0.332 0.000 0.974 146 S CB 0.484 63.549 63.200 -0.224 0.000 0.899 146 S HN -0.861 7.245 8.310 -0.340 0.000 0.562 147 G N -4.048 104.546 108.800 -0.342 0.000 2.660 147 G HA2 0.201 nan 3.960 nan 0.000 0.290 147 G HA3 0.201 nan 3.960 nan 0.000 0.290 147 G C -2.582 172.241 174.900 -0.129 0.000 1.432 147 G CA -0.487 44.442 45.100 -0.285 0.000 0.807 147 G HN -0.411 7.741 8.290 -0.230 0.000 0.485 148 A N 0.054 122.829 122.820 -0.074 0.000 2.544 148 A HA 0.076 nan 4.320 nan 0.000 0.301 148 A C -0.747 176.827 177.584 -0.016 0.000 1.368 148 A CA -1.191 50.825 52.037 -0.036 0.000 1.045 148 A CB -0.672 18.317 19.000 -0.018 0.000 1.129 148 A HN -0.049 8.063 8.150 -0.063 0.000 0.540 149 N N 3.690 122.384 118.700 -0.009 0.000 3.137 149 N HA -0.435 nan 4.740 nan 0.000 0.296 149 N C -0.288 175.249 175.510 0.045 0.000 1.626 149 N CA 0.836 53.898 53.050 0.021 0.000 2.020 149 N CB -0.451 38.060 38.487 0.040 0.000 0.850 149 N HN -0.058 8.308 8.380 -0.023 0.000 0.652 150 D N 0.175 120.603 120.400 0.047 0.000 2.235 150 D HA -0.407 nan 4.640 nan 0.000 0.173 150 D C -0.549 175.767 176.300 0.027 0.000 1.522 150 D CA 2.970 57.010 54.000 0.066 0.000 1.559 150 D CB -0.760 40.125 40.800 0.142 0.000 1.362 150 D HN 0.604 8.995 8.370 0.035 0.000 0.511 151 E N -3.116 117.079 120.200 -0.007 0.000 2.513 151 E HA -0.438 nan 4.350 nan 0.000 0.257 151 E C 0.619 177.205 176.600 -0.023 0.000 1.098 151 E CA 0.353 56.754 56.400 0.002 0.000 0.752 151 E CB -1.477 28.248 29.700 0.041 0.000 1.324 151 E HN -0.400 7.980 8.360 -0.012 -0.027 0.403 152 V N -6.057 113.751 119.914 -0.176 0.000 2.379 152 V HA -0.139 nan 4.120 nan 0.000 0.243 152 V C 0.957 176.903 176.094 -0.247 0.000 1.035 152 V CA 4.433 66.584 62.300 -0.248 0.000 1.035 152 V CB -0.463 31.084 31.823 -0.459 0.000 0.673 152 V HN -0.200 8.190 8.190 -0.223 -0.334 0.457 153 T N 3.691 118.071 114.554 -0.290 0.000 2.737 153 T HA -0.425 nan 4.350 nan 0.000 0.269 153 T C 1.404 176.083 174.700 -0.035 0.000 1.040 153 T CA 5.216 67.226 62.100 -0.149 0.000 1.142 153 T CB -0.892 67.902 68.868 -0.123 0.000 0.861 153 T HN -0.293 7.869 8.240 -0.436 -0.183 0.456 154 H N 2.025 121.043 119.070 -0.087 0.000 2.267 154 H HA -0.367 nan 4.556 nan 0.000 0.297 154 H C 1.757 177.073 175.328 -0.021 0.000 1.080 154 H CA 3.763 59.783 56.048 -0.047 0.000 1.278 154 H CB -0.072 29.661 29.762 -0.049 0.000 1.365 154 H HN -0.303 8.002 8.280 0.070 0.016 0.489 155 R N -2.282 118.150 120.500 -0.114 0.000 2.096 155 R HA -0.375 nan 4.340 nan 0.000 0.235 155 R C 2.345 178.606 176.300 -0.064 0.000 1.127 155 R CA 3.150 59.182 56.100 -0.112 0.000 0.968 155 R CB -0.075 30.212 30.300 -0.022 0.000 0.861 155 R HN -0.689 7.594 8.270 0.022 0.000 0.440 156 E N -0.649 119.509 120.200 -0.069 0.000 2.209 156 E HA -0.295 nan 4.350 nan 0.000 0.196 156 E C 2.312 178.878 176.600 -0.057 0.000 0.993 156 E CA 2.413 58.772 56.400 -0.068 0.000 0.819 156 E CB -0.790 28.855 29.700 -0.091 0.000 0.745 156 E HN 0.306 8.619 8.360 -0.078 0.000 0.477 157 N N -1.849 116.829 118.700 -0.036 0.000 2.142 157 N HA -0.265 nan 4.740 nan 0.000 0.186 157 N C 2.154 177.728 175.510 0.107 0.000 1.023 157 N CA 2.785 55.837 53.050 0.004 0.000 0.852 157 N CB -0.258 38.242 38.487 0.022 0.000 0.998 157 N HN -0.016 8.301 8.380 -0.053 0.030 0.424 158 H N 1.297 120.344 119.070 -0.038 0.000 2.261 158 H HA -0.112 nan 4.556 nan 0.000 0.301 158 H C 1.973 177.232 175.328 -0.114 0.000 1.067 158 H CA 2.953 58.997 56.048 -0.006 0.000 1.297 158 H CB 0.461 30.163 29.762 -0.101 0.000 1.377 158 H HN -0.565 7.767 8.280 0.088 0.000 0.492 159 N N 0.226 118.770 118.700 -0.259 0.000 2.258 159 N HA -0.410 nan 4.740 nan 0.000 0.187 159 N C 2.349 177.709 175.510 -0.250 0.000 1.012 159 N CA 3.063 55.869 53.050 -0.406 0.000 0.870 159 N CB -0.278 38.103 38.487 -0.177 0.000 0.977 159 N HN -0.107 8.228 8.380 -0.076 0.000 0.434 160 A N 0.041 122.757 122.820 -0.173 0.000 2.070 160 A HA -0.201 nan 4.320 nan 0.000 0.220 160 A C 2.133 179.585 177.584 -0.221 0.000 1.159 160 A CA 2.371 54.301 52.037 -0.179 0.000 0.656 160 A CB -0.772 18.091 19.000 -0.229 0.000 0.800 160 A HN -0.113 7.935 8.150 -0.140 0.018 0.453 161 Y N -2.842 117.364 120.300 -0.157 0.000 2.574 161 Y HA -0.316 nan 4.550 nan 0.000 0.294 161 Y C 1.338 177.242 175.900 0.007 0.000 1.142 161 Y CA 2.926 60.969 58.100 -0.096 0.000 1.314 161 Y CB -0.676 37.722 38.460 -0.103 0.000 0.991 161 Y HN 0.048 8.138 8.280 -0.107 0.126 0.555 162 H N -2.247 116.778 119.070 -0.075 0.000 2.592 162 H HA 0.194 nan 4.556 nan 0.000 0.265 162 H C 0.781 176.100 175.328 -0.016 0.000 0.955 162 H CA 0.548 56.519 56.048 -0.128 0.000 1.175 162 H CB -0.138 29.544 29.762 -0.134 0.000 1.433 162 H HN 0.246 8.333 8.280 0.016 0.203 0.537 163 R N -1.177 119.396 120.500 0.121 0.000 2.323 163 R HA -0.038 nan 4.340 nan 0.000 0.198 163 R C -1.196 175.194 176.300 0.150 0.000 0.988 163 R CA 0.951 57.126 56.100 0.126 0.000 1.041 163 R CB 0.072 30.399 30.300 0.044 0.000 0.926 163 R HN -0.665 7.644 8.270 0.065 0.000 0.476 164 I N -1.617 119.004 120.570 0.086 0.000 2.498 164 I HA 0.156 nan 4.170 nan 0.000 0.290 164 I C -1.934 174.133 176.117 -0.084 0.000 1.032 164 I CA -1.061 60.264 61.300 0.043 0.000 1.073 164 I CB 2.506 40.486 38.000 -0.034 0.000 1.251 164 I HN -0.914 7.244 8.210 0.019 0.064 0.426 165 F N 4.051 123.878 119.950 -0.206 0.000 2.618 165 F HA 0.296 nan 4.527 nan 0.000 0.332 165 F C -0.815 174.851 175.800 -0.223 0.000 1.061 165 F CA -1.629 56.209 58.000 -0.271 0.000 0.974 165 F CB 4.034 42.966 39.000 -0.114 0.000 1.310 165 F HN -0.212 8.203 8.300 0.192 0.000 0.491 166 F N 0.914 120.977 119.950 0.188 0.000 2.403 166 F HA 0.417 nan 4.527 nan 0.000 0.326 166 F C -0.615 175.251 175.800 0.110 0.000 1.081 166 F CA -1.332 56.735 58.000 0.112 0.000 1.041 166 F CB 1.261 40.298 39.000 0.062 0.000 1.234 166 F HN 0.047 8.437 8.300 0.151 0.000 0.503 167 K N 1.214 121.793 120.400 0.298 0.000 2.753 167 K HA 0.377 nan 4.320 nan 0.000 0.185 167 K C -2.490 174.180 176.600 0.118 0.000 1.071 167 K CA -1.725 54.663 56.287 0.170 0.000 0.999 167 K CB 0.692 33.268 32.500 0.126 0.000 1.244 167 K HN -0.153 8.286 8.250 0.316 0.000 0.594 168 P HA 0.099 nan 4.420 nan 0.000 0.269 168 P C -1.555 175.755 177.300 0.017 0.000 1.215 168 P CA -0.375 62.739 63.100 0.023 0.000 0.780 168 P CB 0.736 32.444 31.700 0.012 0.000 0.898 169 K N 2.730 123.129 120.400 -0.003 0.000 2.183 169 K HA 0.160 nan 4.320 nan 0.000 0.274 169 K C -0.964 175.635 176.600 -0.002 0.000 1.009 169 K CA -0.664 55.624 56.287 0.001 0.000 0.888 169 K CB 1.081 33.579 32.500 -0.003 0.000 1.078 169 K HN 0.495 8.617 8.250 -0.022 0.114 0.459 170 I N -3.686 116.886 120.570 0.003 0.000 2.910 170 I HA 0.224 nan 4.170 nan 0.000 0.310 170 I C -0.378 175.739 176.117 0.001 0.000 1.043 170 I CA -1.216 60.084 61.300 0.000 0.000 1.053 170 I CB 1.892 39.895 38.000 0.004 0.000 1.242 170 I HN 0.047 8.261 8.210 0.006 0.000 0.452 171 L N 0.655 121.878 121.223 -0.001 0.000 3.755 171 L HA -0.349 nan 4.340 nan 0.000 0.587 171 L C -1.240 175.629 176.870 -0.001 0.000 1.235 171 L CA 0.660 55.500 54.840 -0.000 0.000 0.876 171 L CB -1.462 40.598 42.059 0.001 0.000 1.431 171 L HN 0.313 8.542 8.230 -0.002 0.000 0.840 172 V N 0.685 120.597 119.914 -0.003 0.000 2.638 172 V HA 0.111 nan 4.120 nan 0.000 0.306 172 V C -0.580 175.512 176.094 -0.004 0.000 1.052 172 V CA -1.623 60.675 62.300 -0.004 0.000 0.885 172 V CB 3.424 35.243 31.823 -0.006 0.000 0.999 172 V HN -0.550 7.638 8.190 -0.004 0.000 0.424 173 D N 7.107 127.505 120.400 -0.003 0.000 2.417 173 D HA 0.047 nan 4.640 nan 0.000 0.250 173 D C 0.148 176.445 176.300 -0.005 0.000 1.166 173 D CA 0.990 54.988 54.000 -0.003 0.000 0.881 173 D CB 1.037 41.836 40.800 -0.001 0.000 1.164 173 D HN 0.070 8.439 8.370 -0.002 0.000 0.467 174 V N -1.713 118.197 119.914 -0.006 0.000 3.017 174 V HA 0.390 nan 4.120 nan 0.000 0.354 174 V C 0.215 176.306 176.094 -0.005 0.000 1.389 174 V CA -1.509 60.786 62.300 -0.008 0.000 1.163 174 V CB -0.788 31.027 31.823 -0.014 0.000 1.178 174 V HN 0.122 8.308 8.190 -0.005 0.000 0.547 175 R N 2.602 123.100 120.500 -0.003 0.000 2.091 175 R HA -0.295 nan 4.340 nan 0.000 0.238 175 R C -0.405 175.895 176.300 0.000 0.000 1.136 175 R CA 2.934 59.033 56.100 -0.001 0.000 0.959 175 R CB 0.303 30.603 30.300 0.000 0.000 0.856 175 R HN -0.511 8.047 8.270 -0.002 -0.289 0.437 176 K N -1.441 118.960 120.400 0.001 0.000 2.358 176 K HA 0.072 nan 4.320 nan 0.000 0.260 176 K C -2.043 174.559 176.600 0.003 0.000 0.956 176 K CA -0.601 55.688 56.287 0.003 0.000 0.834 176 K CB 0.986 33.489 32.500 0.004 0.000 1.102 176 K HN -0.435 7.791 8.250 0.000 0.024 0.431 177 V N 3.699 123.616 119.914 0.005 0.000 2.823 177 V HA 0.461 nan 4.120 nan 0.000 0.312 177 V C -2.056 174.045 176.094 0.011 0.000 1.072 177 V CA -2.254 60.049 62.300 0.005 0.000 0.937 177 V CB 2.679 34.501 31.823 -0.001 0.000 1.013 177 V HN 0.252 8.446 8.190 0.006 0.000 0.430 178 D N 5.269 125.678 120.400 0.014 0.000 2.620 178 D HA 0.342 nan 4.640 nan 0.000 0.252 178 D C -0.622 175.690 176.300 0.020 0.000 1.207 178 D CA -0.662 53.351 54.000 0.022 0.000 0.884 178 D CB 2.772 43.589 40.800 0.029 0.000 1.262 178 D HN 0.464 8.730 8.370 0.012 0.111 0.552 179 I N -2.356 118.224 120.570 0.016 0.000 3.875 179 I HA 0.424 nan 4.170 nan 0.000 0.329 179 I C -0.319 175.786 176.117 -0.020 0.000 1.295 179 I CA -1.113 60.193 61.300 0.010 0.000 1.129 179 I CB -0.104 37.912 38.000 0.027 0.000 1.008 179 I HN 0.066 8.286 8.210 0.016 0.000 0.413 180 S N 1.600 117.285 115.700 -0.026 0.000 2.592 180 S HA 0.241 nan 4.470 nan 0.000 0.271 180 S C -1.203 173.326 174.600 -0.117 0.000 1.326 180 S CA -0.554 57.578 58.200 -0.115 0.000 1.024 180 S CB 1.638 64.796 63.200 -0.071 0.000 0.921 180 S HN -0.648 7.830 8.310 0.010 -0.162 0.527 181 T N 1.641 116.063 114.554 -0.221 0.000 2.762 181 T HA 0.308 nan 4.350 nan 0.000 0.301 181 T C -2.591 172.014 174.700 -0.159 0.000 1.299 181 T CA -0.826 61.218 62.100 -0.094 0.000 1.005 181 T CB 3.103 71.950 68.868 -0.035 0.000 1.377 181 T HN 0.287 8.314 8.240 -0.355 0.000 0.504 182 D N 1.915 122.314 120.400 -0.000 0.000 2.256 182 D HA 0.691 nan 4.640 nan 0.000 0.240 182 D C -0.905 175.452 176.300 0.095 0.000 1.062 182 D CA 0.012 54.053 54.000 0.068 0.000 0.832 182 D CB 1.792 42.663 40.800 0.119 0.000 1.135 182 D HN 0.253 8.637 8.370 0.023 0.000 0.484 183 M N 3.979 123.681 119.600 0.170 0.000 2.151 183 M HA 0.147 nan 4.480 nan 0.000 0.290 183 M C -1.242 175.282 176.300 0.373 0.000 0.965 183 M CA -0.553 54.929 55.300 0.304 0.000 0.930 183 M CB 2.856 35.745 32.600 0.481 0.000 1.560 183 M HN 0.625 9.012 8.290 0.162 0.000 0.438 184 L N 2.656 124.058 121.223 0.298 0.000 3.550 184 L HA -0.488 nan 4.340 nan 0.000 0.523 184 L C 0.759 177.740 176.870 0.186 0.000 1.312 184 L CA 0.436 55.407 54.840 0.218 0.000 0.864 184 L CB -1.005 41.170 42.059 0.193 0.000 1.592 184 L HN 0.500 9.246 8.230 0.239 -0.372 0.859 185 G N -1.529 107.356 108.800 0.141 0.000 3.329 185 G HA2 -0.455 nan 3.960 nan 0.000 0.220 185 G HA3 -0.455 nan 3.960 nan 0.000 0.220 185 G C -0.010 174.968 174.900 0.129 0.000 1.358 185 G CA 0.201 45.370 45.100 0.116 0.000 0.856 185 G HN 0.486 8.855 8.290 0.131 0.000 0.551 186 S N 2.424 118.218 115.700 0.157 0.000 2.603 186 S HA 0.006 nan 4.470 nan 0.000 0.268 186 S C -1.317 173.382 174.600 0.164 0.000 1.317 186 S CA 0.264 58.550 58.200 0.143 0.000 1.012 186 S CB 1.090 64.362 63.200 0.119 0.000 0.926 186 S HN -0.334 8.029 8.310 0.192 0.062 0.539 187 H N 2.783 121.880 119.070 0.045 0.000 2.581 187 H HA 0.378 nan 4.556 nan 0.000 0.308 187 H C -1.247 174.086 175.328 0.008 0.000 1.040 187 H CA -0.687 55.380 56.048 0.033 0.000 1.231 187 H CB 0.430 30.204 29.762 0.020 0.000 1.396 187 H HN -0.085 8.330 8.280 0.226 0.000 0.467 188 V N 1.434 121.163 119.914 -0.307 0.000 2.837 188 V HA 0.465 nan 4.120 nan 0.000 0.310 188 V C -0.485 175.355 176.094 -0.423 0.000 1.059 188 V CA -2.949 59.181 62.300 -0.283 0.000 1.004 188 V CB 2.725 34.446 31.823 -0.170 0.000 1.045 188 V HN 0.425 8.453 8.190 -0.270 0.000 0.465 189 D N 2.636 122.876 120.400 -0.267 0.000 2.084 189 D HA -0.117 nan 4.640 nan 0.000 0.196 189 D C 0.542 176.718 176.300 -0.206 0.000 0.985 189 D CA 2.893 56.771 54.000 -0.204 0.000 0.826 189 D CB 0.327 41.040 40.800 -0.145 0.000 0.978 189 D HN 0.350 8.587 8.370 -0.221 0.000 0.456 190 V N -6.420 113.320 119.914 -0.291 0.000 2.881 190 V HA 0.468 nan 4.120 nan 0.000 0.316 190 V C -1.796 174.115 176.094 -0.305 0.000 1.070 190 V CA -4.169 57.941 62.300 -0.317 0.000 0.976 190 V CB 0.037 31.508 31.823 -0.587 0.000 1.038 190 V HN -0.734 7.245 8.190 -0.351 0.000 0.446 191 P HA 0.162 nan 4.420 nan 0.000 0.242 191 P C -1.919 175.435 177.300 0.089 0.000 1.197 191 P CA 0.966 64.067 63.100 0.003 0.000 0.765 191 P CB -0.217 31.526 31.700 0.072 0.000 0.936 192 F N -5.000 114.982 119.950 0.053 0.000 2.556 192 F HA 0.848 nan 4.527 nan 0.000 0.327 192 F C -2.481 173.346 175.800 0.045 0.000 1.059 192 F CA -3.357 54.646 58.000 0.005 0.000 0.953 192 F CB 3.191 42.181 39.000 -0.017 0.000 1.227 192 F HN -0.992 6.801 8.300 -0.733 0.067 0.478 193 Y N -5.942 114.525 120.300 0.278 0.000 2.576 193 Y HA 0.550 nan 4.550 nan 0.000 0.346 193 Y C -1.829 174.092 175.900 0.035 0.000 1.018 193 Y CA -2.812 55.313 58.100 0.042 0.000 1.050 193 Y CB 1.786 40.254 38.460 0.012 0.000 1.280 193 Y HN -0.058 8.057 8.280 -0.275 0.000 0.474 194 V N 0.213 120.103 119.914 -0.039 0.000 2.614 194 V HA 0.061 nan 4.120 nan 0.000 0.291 194 V C -0.408 175.770 176.094 0.140 0.000 1.049 194 V CA 0.294 62.491 62.300 -0.172 0.000 1.038 194 V CB -0.572 31.009 31.823 -0.404 0.000 0.980 194 V HN 0.201 8.329 8.190 -0.104 0.000 0.481 195 S N 5.650 121.447 115.700 0.161 0.000 2.718 195 S HA 0.339 nan 4.470 nan 0.000 0.300 195 S C -0.967 173.617 174.600 -0.027 0.000 1.117 195 S CA -2.170 56.114 58.200 0.140 0.000 1.002 195 S CB 2.642 65.923 63.200 0.135 0.000 1.092 195 S HN -0.095 8.309 8.310 0.157 0.000 0.542 196 A N 2.826 125.580 122.820 -0.110 0.000 3.052 196 A HA 0.074 nan 4.320 nan 0.000 0.266 196 A C -0.286 177.215 177.584 -0.139 0.000 1.855 196 A CA -0.523 51.419 52.037 -0.157 0.000 1.473 196 A CB -0.912 17.947 19.000 -0.235 0.000 1.038 196 A HN 0.495 8.571 8.150 -0.123 0.000 0.619 197 T N 2.595 117.077 114.554 -0.120 0.000 2.933 197 T HA -0.173 nan 4.350 nan 0.000 0.306 197 T C -0.453 174.242 174.700 -0.008 0.000 1.045 197 T CA 1.117 63.154 62.100 -0.105 0.000 1.143 197 T CB 0.694 69.457 68.868 -0.174 0.000 1.003 197 T HN -0.809 7.362 8.240 -0.114 0.000 0.540 198 A N 4.517 127.405 122.820 0.113 0.000 2.313 198 A HA 0.160 nan 4.320 nan 0.000 0.261 198 A C 0.069 177.810 177.584 0.262 0.000 1.090 198 A CA -0.482 51.673 52.037 0.197 0.000 0.807 198 A CB 0.890 20.087 19.000 0.328 0.000 1.055 198 A HN 0.139 8.361 8.150 0.121 0.000 0.492 199 L N -4.744 116.569 121.223 0.151 0.000 3.829 199 L HA -0.461 nan 4.340 nan 0.000 0.440 199 L C 0.998 177.994 176.870 0.210 0.000 1.192 199 L CA 0.143 55.066 54.840 0.138 0.000 0.848 199 L CB -3.006 39.090 42.059 0.061 0.000 1.744 199 L HN 0.048 8.325 8.230 0.079 0.000 0.920 200 C N -1.094 118.292 119.300 0.143 0.000 2.385 200 C HA -0.491 nan 4.460 nan 0.000 0.306 200 C C 1.988 177.079 174.990 0.169 0.000 1.433 200 C CA 2.793 61.889 59.018 0.130 0.000 1.796 200 C CB -2.093 25.669 27.740 0.038 0.000 1.749 200 C HN 0.170 8.631 8.230 0.092 -0.177 0.565 201 K N -0.267 120.217 120.400 0.140 0.000 2.296 201 K HA -0.151 nan 4.320 nan 0.000 0.200 201 K C 1.447 178.122 176.600 0.125 0.000 1.048 201 K CA 1.982 58.333 56.287 0.107 0.000 0.966 201 K CB -0.337 32.198 32.500 0.059 0.000 0.754 201 K HN -0.700 7.534 8.250 0.122 0.090 0.466 202 L N -2.362 118.959 121.223 0.163 0.000 2.129 202 L HA -0.266 nan 4.340 nan 0.000 0.212 202 L C 1.157 178.095 176.870 0.113 0.000 1.087 202 L CA 2.367 57.254 54.840 0.077 0.000 0.757 202 L CB 0.158 42.189 42.059 -0.047 0.000 0.896 202 L HN -0.345 8.016 8.230 0.219 0.000 0.434 203 G N -5.773 103.196 108.800 0.281 0.000 2.850 203 G HA2 -0.027 nan 3.960 nan 0.000 0.211 203 G HA3 -0.027 nan 3.960 nan 0.000 0.211 203 G C -0.702 174.298 174.900 0.167 0.000 1.124 203 G CA -0.519 44.742 45.100 0.269 0.000 0.769 203 G HN -0.450 8.104 8.290 0.440 0.000 0.535 204 N N 0.425 119.212 118.700 0.145 0.000 2.804 204 N HA 0.500 nan 4.740 nan 0.000 0.251 204 N C -1.841 173.709 175.510 0.067 0.000 1.250 204 N CA -2.650 50.450 53.050 0.083 0.000 0.820 204 N CB 1.881 40.408 38.487 0.067 0.000 1.156 204 N HN -0.835 7.654 8.380 0.182 0.000 0.512 205 P HA -0.016 nan 4.420 nan 0.000 0.218 205 P C 0.969 178.286 177.300 0.028 0.000 1.152 205 P CA 1.463 64.587 63.100 0.039 0.000 0.826 205 P CB 0.286 32.003 31.700 0.028 0.000 0.790 206 L N -4.703 116.534 121.223 0.023 0.000 2.012 206 L HA -0.232 nan 4.340 nan 0.000 0.210 206 L C 1.499 178.379 176.870 0.016 0.000 1.073 206 L CA 2.922 57.772 54.840 0.016 0.000 0.748 206 L CB -0.224 41.842 42.059 0.011 0.000 0.891 206 L HN -0.371 7.853 8.230 0.024 0.019 0.431 207 E N -7.480 112.731 120.200 0.018 0.000 2.639 207 E HA 0.190 nan 4.350 nan 0.000 0.225 207 E C 0.789 177.399 176.600 0.018 0.000 0.921 207 E CA -0.921 55.488 56.400 0.015 0.000 1.184 207 E CB 2.863 32.569 29.700 0.010 0.000 1.160 207 E HN -0.198 8.468 8.360 0.023 -0.292 0.547 208 G N 0.726 109.542 108.800 0.028 0.000 2.652 208 G HA2 -0.511 nan 3.960 nan 0.000 0.318 208 G HA3 -0.511 nan 3.960 nan 0.000 0.318 208 G C 0.380 175.290 174.900 0.016 0.000 1.295 208 G CA 1.423 46.544 45.100 0.034 0.000 0.999 208 G HN -0.144 8.336 8.290 0.033 -0.170 0.548 209 E N 2.964 123.171 120.200 0.011 0.000 2.511 209 E HA -0.146 nan 4.350 nan 0.000 0.196 209 E C 1.467 178.058 176.600 -0.015 0.000 1.066 209 E CA 1.139 57.535 56.400 -0.008 0.000 0.871 209 E CB -0.871 28.823 29.700 -0.009 0.000 0.863 209 E HN 0.031 8.402 8.360 0.019 0.000 0.520 210 K N 0.048 120.445 120.400 -0.006 0.000 2.137 210 K HA -0.133 nan 4.320 nan 0.000 0.202 210 K C 1.935 178.524 176.600 -0.018 0.000 1.052 210 K CA 3.241 59.522 56.287 -0.010 0.000 0.961 210 K CB -0.151 32.349 32.500 -0.002 0.000 0.741 210 K HN -0.308 7.863 8.250 0.002 0.080 0.452 211 D N 0.081 120.473 120.400 -0.012 0.000 2.218 211 D HA -0.177 nan 4.640 nan 0.000 0.204 211 D C 2.169 178.450 176.300 -0.031 0.000 0.976 211 D CA 3.399 57.391 54.000 -0.014 0.000 0.853 211 D CB -0.243 40.555 40.800 -0.003 0.000 0.939 211 D HN -0.515 7.852 8.370 -0.005 0.000 0.481 212 V N -0.380 119.506 119.914 -0.046 0.000 2.255 212 V HA -0.348 nan 4.120 nan 0.000 0.243 212 V C 1.625 177.664 176.094 -0.092 0.000 1.038 212 V CA 4.245 66.498 62.300 -0.078 0.000 1.008 212 V CB -0.770 30.994 31.823 -0.098 0.000 0.645 212 V HN -0.590 7.444 8.190 -0.039 0.133 0.449 213 A N -0.781 121.990 122.820 -0.082 0.000 1.923 213 A HA -0.505 nan 4.320 nan 0.000 0.222 213 A C 2.102 179.644 177.584 -0.071 0.000 1.258 213 A CA 3.381 55.370 52.037 -0.080 0.000 0.670 213 A CB -0.883 18.084 19.000 -0.055 0.000 0.834 213 A HN -0.540 7.662 8.150 -0.072 -0.095 0.470 214 R N -3.044 117.426 120.500 -0.050 0.000 2.073 214 R HA -0.371 nan 4.340 nan 0.000 0.234 214 R C 2.642 178.917 176.300 -0.041 0.000 1.134 214 R CA 2.937 59.014 56.100 -0.038 0.000 0.952 214 R CB -0.017 30.269 30.300 -0.022 0.000 0.850 214 R HN 0.056 8.300 8.270 -0.043 0.000 0.433 215 G N -1.803 106.970 108.800 -0.045 0.000 2.432 215 G HA2 -0.199 nan 3.960 nan 0.000 0.219 215 G HA3 -0.199 nan 3.960 nan 0.000 0.219 215 G C 0.270 175.129 174.900 -0.068 0.000 1.135 215 G CA 1.741 46.816 45.100 -0.042 0.000 0.767 215 G HN -0.094 8.092 8.290 -0.048 0.075 0.550 216 C N -1.240 117.997 119.300 -0.106 0.000 2.576 216 C HA 0.146 nan 4.460 nan 0.000 0.267 216 C C 0.373 175.294 174.990 -0.115 0.000 1.364 216 C CA -0.191 58.744 59.018 -0.139 0.000 1.723 216 C CB -1.770 25.851 27.740 -0.199 0.000 1.778 216 C HN 0.036 8.097 8.230 -0.108 0.104 0.572 217 G N -1.602 107.149 108.800 -0.082 0.000 3.581 217 G HA2 0.134 nan 3.960 nan 0.000 0.248 217 G HA3 0.134 nan 3.960 nan 0.000 0.248 217 G C 0.038 174.912 174.900 -0.042 0.000 1.037 217 G CA 0.585 45.645 45.100 -0.067 0.000 0.902 217 G HN -0.322 7.762 8.290 -0.073 0.162 0.512 218 Q N 0.851 120.632 119.800 -0.032 0.000 2.435 218 Q HA -0.069 nan 4.340 nan 0.000 0.207 218 Q C -0.006 175.989 176.000 -0.008 0.000 0.956 218 Q CA 0.992 56.785 55.803 -0.017 0.000 0.917 218 Q CB 0.019 28.751 28.738 -0.010 0.000 0.997 218 Q HN 0.019 8.267 8.270 -0.037 0.000 0.497 219 G N -1.782 107.013 108.800 -0.009 0.000 3.119 219 G HA2 0.104 nan 3.960 nan 0.000 0.206 219 G HA3 0.104 nan 3.960 nan 0.000 0.206 219 G C -1.297 173.600 174.900 -0.005 0.000 1.313 219 G CA -1.360 43.741 45.100 0.001 0.000 1.010 219 G HN -0.701 7.509 8.290 -0.019 0.068 0.578 220 V N -1.090 118.825 119.914 0.002 0.000 2.548 220 V HA -0.203 nan 4.120 nan 0.000 0.249 220 V C 0.425 176.512 176.094 -0.012 0.000 1.055 220 V CA 2.464 64.763 62.300 -0.001 0.000 1.065 220 V CB -0.169 31.658 31.823 0.007 0.000 0.681 220 V HN 0.404 8.600 8.190 0.010 0.000 0.462 221 T N 0.790 115.334 114.554 -0.017 0.000 2.855 221 T HA 0.209 nan 4.350 nan 0.000 0.281 221 T C -1.420 173.235 174.700 -0.074 0.000 1.007 221 T CA -0.745 61.328 62.100 -0.044 0.000 1.009 221 T CB 1.627 70.475 68.868 -0.034 0.000 0.983 221 T HN -0.567 7.648 8.240 -0.007 0.021 0.455 222 K N 4.125 124.461 120.400 -0.107 0.000 2.159 222 K HA 0.569 nan 4.320 nan 0.000 0.266 222 K C -1.627 174.844 176.600 -0.215 0.000 0.975 222 K CA -1.224 54.978 56.287 -0.141 0.000 0.865 222 K CB 1.581 34.006 32.500 -0.124 0.000 1.087 222 K HN 0.071 8.565 8.250 -0.102 -0.305 0.446 223 V N 4.627 124.390 119.914 -0.251 0.000 2.525 223 V HA 0.366 nan 4.120 nan 0.000 0.299 223 V C -2.223 173.670 176.094 -0.335 0.000 1.034 223 V CA -3.572 58.528 62.300 -0.334 0.000 0.863 223 V CB 2.011 33.642 31.823 -0.321 0.000 0.999 223 V HN -0.251 7.806 8.190 -0.221 0.000 0.423 224 P HA -0.103 nan 4.420 nan 0.000 0.265 224 P C -2.186 174.805 177.300 -0.516 0.000 1.167 224 P CA 0.360 63.076 63.100 -0.640 0.000 0.760 224 P CB 0.542 31.640 31.700 -1.003 0.000 0.783 225 Q N 1.604 121.092 119.800 -0.520 0.000 2.365 225 Q HA 0.437 nan 4.340 nan 0.000 0.269 225 Q C -2.150 173.690 176.000 -0.268 0.000 1.061 225 Q CA -1.812 53.804 55.803 -0.313 0.000 0.816 225 Q CB 4.024 32.629 28.738 -0.222 0.000 1.325 225 Q HN -0.039 7.847 8.270 -0.640 0.000 0.446 226 M N 3.514 123.013 119.600 -0.169 0.000 2.253 226 M HA 0.376 nan 4.480 nan 0.000 0.314 226 M C -1.503 174.700 176.300 -0.161 0.000 1.019 226 M CA -0.783 54.434 55.300 -0.138 0.000 0.932 226 M CB 2.749 35.218 32.600 -0.219 0.000 1.606 226 M HN 0.262 8.459 8.290 -0.155 0.000 0.430 227 I N 5.709 126.168 120.570 -0.185 0.000 2.412 227 I HA 0.257 nan 4.170 nan 0.000 0.296 227 I C -1.384 174.471 176.117 -0.437 0.000 0.987 227 I CA -1.390 59.778 61.300 -0.220 0.000 1.180 227 I CB 3.039 40.996 38.000 -0.071 0.000 1.340 227 I HN 0.367 8.483 8.210 -0.157 0.000 0.455 228 S N 3.813 119.343 115.700 -0.283 0.000 2.505 228 S HA 0.070 nan 4.470 nan 0.000 0.276 228 S C 1.283 175.721 174.600 -0.270 0.000 1.274 228 S CA -0.304 57.730 58.200 -0.276 0.000 1.053 228 S CB 0.715 63.844 63.200 -0.118 0.000 0.919 228 S HN 0.340 8.546 8.310 -0.174 0.000 0.490 229 T N 10.069 124.445 114.554 -0.296 0.000 2.802 229 T HA -0.277 nan 4.350 nan 0.000 0.269 229 T C 0.612 175.357 174.700 0.076 0.000 1.062 229 T CA 3.365 65.462 62.100 -0.005 0.000 1.133 229 T CB 0.027 68.958 68.868 0.106 0.000 0.852 229 T HN 0.343 8.454 8.240 -0.430 -0.130 0.485 230 L N -0.652 120.591 121.223 0.033 0.000 3.108 230 L HA 0.272 nan 4.340 nan 0.000 0.251 230 L C -1.510 175.351 176.870 -0.016 0.000 1.315 230 L CA -1.424 53.397 54.840 -0.032 0.000 1.048 230 L CB -0.639 41.353 42.059 -0.111 0.000 1.432 230 L HN -0.325 7.878 8.230 0.012 0.034 0.543 231 A N 0.938 123.761 122.820 0.004 0.000 2.448 231 A HA -0.024 nan 4.320 nan 0.000 0.239 231 A C -0.653 176.945 177.584 0.023 0.000 1.080 231 A CA 0.487 52.533 52.037 0.015 0.000 0.779 231 A CB 0.317 19.331 19.000 0.022 0.000 1.026 231 A HN -0.384 7.628 8.150 0.013 0.146 0.499 232 S N -0.957 114.761 115.700 0.029 0.000 2.560 232 S HA 0.061 nan 4.470 nan 0.000 0.227 232 S C -1.433 173.186 174.600 0.031 0.000 1.280 232 S CA -0.146 58.069 58.200 0.025 0.000 1.260 232 S CB 0.200 63.413 63.200 0.021 0.000 1.002 232 S HN -0.083 8.637 8.310 0.037 -0.389 0.509 233 C N -0.965 118.358 119.300 0.037 0.000 3.247 233 C HA 0.245 nan 4.460 nan 0.000 0.375 233 C C -0.938 174.082 174.990 0.051 0.000 1.102 233 C CA -1.713 57.327 59.018 0.037 0.000 1.227 233 C CB 3.671 31.429 27.740 0.030 0.000 1.586 233 C HN -0.374 7.805 8.230 0.043 0.077 0.544 234 S N 2.862 118.592 115.700 0.050 0.000 2.614 234 S HA 0.479 nan 4.470 nan 0.000 0.265 234 S C -0.630 174.012 174.600 0.070 0.000 1.303 234 S CA -1.793 56.444 58.200 0.062 0.000 1.000 234 S CB 0.108 63.335 63.200 0.044 0.000 0.935 234 S HN 0.137 8.756 8.310 0.039 -0.286 0.551 235 P HA -0.187 nan 4.420 nan 0.000 0.216 235 P C 1.003 178.329 177.300 0.044 0.000 1.153 235 P CA 2.683 65.841 63.100 0.097 0.000 0.848 235 P CB -0.123 31.594 31.700 0.028 0.000 0.787 236 E N -1.859 118.351 120.200 0.017 0.000 2.021 236 E HA -0.444 nan 4.350 nan 0.000 0.200 236 E C 2.320 178.927 176.600 0.012 0.000 1.015 236 E CA 2.993 59.396 56.400 0.005 0.000 0.824 236 E CB -1.516 28.185 29.700 0.002 0.000 0.762 236 E HN 0.300 8.653 8.360 0.016 0.016 0.454 237 E N -0.285 119.926 120.200 0.017 0.000 2.095 237 E HA -0.398 nan 4.350 nan 0.000 0.212 237 E C 2.783 179.390 176.600 0.012 0.000 1.044 237 E CA 2.635 59.044 56.400 0.015 0.000 0.857 237 E CB -0.234 29.478 29.700 0.020 0.000 0.764 237 E HN -0.829 7.544 8.360 0.021 0.000 0.462 238 I N -1.540 119.042 120.570 0.020 0.000 2.179 238 I HA -0.434 nan 4.170 nan 0.000 0.242 238 I C 2.773 178.893 176.117 0.005 0.000 1.088 238 I CA 3.670 64.979 61.300 0.015 0.000 1.357 238 I CB 0.042 38.061 38.000 0.031 0.000 1.051 238 I HN -0.661 7.568 8.210 0.031 0.000 0.409 239 I N -0.760 119.818 120.570 0.012 0.000 2.315 239 I HA -0.462 nan 4.170 nan 0.000 0.248 239 I C 2.341 178.453 176.117 -0.008 0.000 1.117 239 I CA 3.932 65.233 61.300 0.002 0.000 1.404 239 I CB -0.180 37.824 38.000 0.007 0.000 1.071 239 I HN 0.291 8.515 8.210 0.023 0.000 0.419 240 E N 0.676 120.873 120.200 -0.004 0.000 2.347 240 E HA -0.193 nan 4.350 nan 0.000 0.196 240 E C 0.439 177.034 176.600 -0.008 0.000 1.008 240 E CA 2.100 58.496 56.400 -0.006 0.000 0.852 240 E CB -0.171 29.527 29.700 -0.003 0.000 0.783 240 E HN -0.096 8.247 8.360 0.001 0.017 0.505 241 A N -1.415 121.399 122.820 -0.009 0.000 2.066 241 A HA -0.115 nan 4.320 nan 0.000 0.218 241 A C 0.141 177.713 177.584 -0.020 0.000 1.157 241 A CA 0.324 52.353 52.037 -0.012 0.000 0.670 241 A CB -0.090 18.903 19.000 -0.012 0.000 0.804 241 A HN -0.612 7.379 8.150 -0.007 0.154 0.453 242 A N -0.239 122.566 122.820 -0.026 0.000 2.566 242 A HA -0.048 nan 4.320 nan 0.000 0.245 242 A C -1.739 175.826 177.584 -0.031 0.000 1.056 242 A CA -0.882 51.133 52.037 -0.037 0.000 0.757 242 A CB -0.647 18.327 19.000 -0.042 0.000 0.979 242 A HN -0.660 7.423 8.150 -0.023 0.053 0.508 243 P HA -0.070 nan 4.420 nan 0.000 0.229 243 P C -1.593 175.690 177.300 -0.027 0.000 1.160 243 P CA 0.698 63.781 63.100 -0.027 0.000 0.777 243 P CB 0.626 32.310 31.700 -0.026 0.000 0.814 244 S N -3.406 112.273 115.700 -0.035 0.000 2.599 244 S HA 0.130 nan 4.470 nan 0.000 0.294 244 S C -0.568 174.014 174.600 -0.031 0.000 1.094 244 S CA -0.560 57.621 58.200 -0.031 0.000 0.931 244 S CB 2.676 65.855 63.200 -0.036 0.000 1.093 244 S HN -0.711 7.537 8.310 -0.042 0.037 0.488 245 D N 2.416 122.802 120.400 -0.023 0.000 2.183 245 D HA -0.189 nan 4.640 nan 0.000 0.203 245 D C 0.063 176.348 176.300 -0.025 0.000 0.969 245 D CA 2.320 56.308 54.000 -0.020 0.000 0.842 245 D CB 0.108 40.900 40.800 -0.013 0.000 0.957 245 D HN 0.332 8.690 8.370 -0.020 0.000 0.484 246 K N -2.047 118.337 120.400 -0.026 0.000 2.217 246 K HA -0.162 nan 4.320 nan 0.000 0.202 246 K C -0.911 175.658 176.600 -0.051 0.000 1.051 246 K CA 0.645 56.915 56.287 -0.029 0.000 0.952 246 K CB 0.131 32.619 32.500 -0.021 0.000 0.736 246 K HN 0.036 8.263 8.250 -0.023 0.010 0.453 247 Q N -1.693 118.066 119.800 -0.069 0.000 2.352 247 Q HA -0.153 nan 4.340 nan 0.000 0.260 247 Q C -1.224 174.699 176.000 -0.129 0.000 0.976 247 Q CA -0.080 55.658 55.803 -0.108 0.000 0.881 247 Q CB 0.566 29.237 28.738 -0.110 0.000 1.235 247 Q HN -0.613 7.621 8.270 -0.059 0.000 0.419 248 I N 0.791 121.244 120.570 -0.196 0.000 2.460 248 I HA 0.219 nan 4.170 nan 0.000 0.298 248 I C -2.037 173.843 176.117 -0.394 0.000 0.989 248 I CA -1.604 59.549 61.300 -0.246 0.000 1.173 248 I CB 2.395 40.254 38.000 -0.236 0.000 1.338 248 I HN 0.031 8.105 8.210 -0.226 0.000 0.456 249 Q N 5.309 124.921 119.800 -0.314 0.000 2.377 249 Q HA 0.626 nan 4.340 nan 0.000 0.271 249 Q C -1.415 174.502 176.000 -0.139 0.000 1.077 249 Q CA -0.997 54.656 55.803 -0.250 0.000 0.820 249 Q CB 3.906 32.596 28.738 -0.080 0.000 1.347 249 Q HN 0.192 8.340 8.270 -0.204 0.000 0.444 250 W N -0.568 120.713 121.300 -0.032 0.000 2.975 250 W HA 0.662 nan 4.660 nan 0.000 0.342 250 W C -1.577 174.980 176.519 0.064 0.000 1.168 250 W CA -1.732 55.634 57.345 0.035 0.000 1.141 250 W CB 4.113 33.576 29.460 0.006 0.000 1.445 250 W HN 0.927 9.025 8.180 0.019 0.094 0.560 251 Y N 0.731 121.189 120.300 0.264 0.000 2.391 251 Y HA 0.311 nan 4.550 nan 0.000 0.341 251 Y C -2.573 173.389 175.900 0.103 0.000 0.965 251 Y CA -1.643 56.526 58.100 0.115 0.000 1.067 251 Y CB 3.617 42.121 38.460 0.073 0.000 1.199 251 Y HN 0.763 9.324 8.280 0.468 0.000 0.450 252 Q N 6.592 126.138 119.800 -0.424 0.000 2.307 252 Q HA 0.608 nan 4.340 nan 0.000 0.262 252 Q C -2.203 173.543 176.000 -0.423 0.000 0.961 252 Q CA -2.027 53.606 55.803 -0.284 0.000 0.882 252 Q CB 1.950 30.490 28.738 -0.331 0.000 1.264 252 Q HN 0.835 8.624 8.270 -0.801 0.000 0.446 253 L N 4.813 125.940 121.223 -0.159 0.000 2.313 253 L HA 0.437 nan 4.340 nan 0.000 0.283 253 L C -2.469 174.358 176.870 -0.071 0.000 1.013 253 L CA -0.846 53.992 54.840 -0.004 0.000 0.816 253 L CB 3.009 45.152 42.059 0.140 0.000 1.236 253 L HN 0.649 8.709 8.230 -0.109 0.105 0.419 254 Y N 6.683 127.022 120.300 0.066 0.000 2.341 254 Y HA 0.140 nan 4.550 nan 0.000 0.340 254 Y C -1.085 174.864 175.900 0.081 0.000 0.997 254 Y CA -0.467 57.673 58.100 0.066 0.000 1.149 254 Y CB 0.485 38.994 38.460 0.082 0.000 1.171 254 Y HN -0.222 8.151 8.280 0.154 0.000 0.494 255 V N 1.133 121.172 119.914 0.207 0.000 2.924 255 V HA 0.074 nan 4.120 nan 0.000 0.305 255 V C -1.417 174.759 176.094 0.136 0.000 1.073 255 V CA -1.891 60.495 62.300 0.144 0.000 1.098 255 V CB 0.953 32.825 31.823 0.082 0.000 1.000 255 V HN 0.259 8.563 8.190 0.189 0.000 0.484 256 N N 2.993 121.755 118.700 0.104 0.000 2.482 256 N HA 0.300 nan 4.740 nan 0.000 0.279 256 N C 0.607 176.139 175.510 0.036 0.000 1.182 256 N CA -0.914 52.179 53.050 0.072 0.000 0.969 256 N CB 2.925 41.446 38.487 0.057 0.000 1.201 256 N HN -0.451 7.987 8.380 0.097 0.000 0.523 257 S N 0.023 115.730 115.700 0.012 0.000 2.383 257 S HA -0.285 nan 4.470 nan 0.000 0.227 257 S C -0.029 174.568 174.600 -0.004 0.000 1.026 257 S CA 3.006 61.205 58.200 -0.001 0.000 0.981 257 S CB 0.264 63.454 63.200 -0.016 0.000 0.818 257 S HN 0.419 8.733 8.310 0.007 0.000 0.472 258 D N 1.136 121.529 120.400 -0.011 0.000 2.483 258 D HA 0.056 nan 4.640 nan 0.000 0.220 258 D C 0.213 176.516 176.300 0.005 0.000 1.173 258 D CA -1.204 52.790 54.000 -0.009 0.000 0.964 258 D CB -0.359 40.428 40.800 -0.021 0.000 1.046 258 D HN -0.378 7.981 8.370 -0.019 0.000 0.517 259 R N 3.884 124.390 120.500 0.009 0.000 2.170 259 R HA -0.452 nan 4.340 nan 0.000 0.242 259 R C 1.490 177.800 176.300 0.016 0.000 1.145 259 R CA 3.370 59.479 56.100 0.016 0.000 0.984 259 R CB -0.201 30.107 30.300 0.013 0.000 0.869 259 R HN -0.104 8.139 8.270 0.005 0.029 0.455 260 K N -0.275 120.130 120.400 0.010 0.000 2.097 260 K HA -0.190 nan 4.320 nan 0.000 0.205 260 K C 1.832 178.439 176.600 0.013 0.000 1.050 260 K CA 2.581 58.873 56.287 0.008 0.000 0.938 260 K CB -0.969 31.533 32.500 0.003 0.000 0.718 260 K HN -0.586 7.635 8.250 0.005 0.032 0.442 261 I N -0.627 119.952 120.570 0.016 0.000 2.091 261 I HA -0.617 nan 4.170 nan 0.000 0.239 261 I C 1.893 178.034 176.117 0.039 0.000 1.061 261 I CA 4.460 65.775 61.300 0.025 0.000 1.317 261 I CB -0.631 37.386 38.000 0.027 0.000 1.031 261 I HN 0.019 8.223 8.210 0.012 0.013 0.401 262 T N 1.875 116.459 114.554 0.050 0.000 2.652 262 T HA -0.408 nan 4.350 nan 0.000 0.267 262 T C 1.859 176.582 174.700 0.038 0.000 1.039 262 T CA 5.232 67.370 62.100 0.063 0.000 1.153 262 T CB -0.770 68.142 68.868 0.073 0.000 0.863 262 T HN -0.508 7.760 8.240 0.046 0.000 0.428 263 D N 0.840 121.255 120.400 0.026 0.000 2.158 263 D HA -0.312 nan 4.640 nan 0.000 0.197 263 D C 2.092 178.394 176.300 0.004 0.000 0.995 263 D CA 3.948 57.957 54.000 0.014 0.000 0.846 263 D CB -0.349 40.458 40.800 0.011 0.000 0.941 263 D HN -0.021 8.299 8.370 0.026 0.065 0.456 264 D N -0.435 119.967 120.400 0.004 0.000 2.103 264 D HA -0.186 nan 4.640 nan 0.000 0.199 264 D C 2.418 178.707 176.300 -0.019 0.000 0.978 264 D CA 2.948 56.944 54.000 -0.006 0.000 0.829 264 D CB -0.171 40.628 40.800 -0.002 0.000 0.981 264 D HN 0.024 8.389 8.370 0.010 0.011 0.464 265 L N 0.354 121.570 121.223 -0.012 0.000 2.043 265 L HA -0.382 nan 4.340 nan 0.000 0.212 265 L C 1.889 178.705 176.870 -0.090 0.000 1.075 265 L CA 3.211 58.025 54.840 -0.044 0.000 0.752 265 L CB -0.270 41.797 42.059 0.013 0.000 0.891 265 L HN -0.259 7.908 8.230 0.009 0.068 0.432 266 V N -1.420 118.469 119.914 -0.043 0.000 2.255 266 V HA -0.563 nan 4.120 nan 0.000 0.247 266 V C 2.116 178.172 176.094 -0.064 0.000 1.051 266 V CA 5.145 67.417 62.300 -0.047 0.000 1.018 266 V CB -0.974 30.845 31.823 -0.006 0.000 0.641 266 V HN 0.246 8.430 8.190 -0.010 0.000 0.445 267 K N -1.465 118.909 120.400 -0.043 0.000 2.283 267 K HA -0.318 nan 4.320 nan 0.000 0.202 267 K C 2.285 178.853 176.600 -0.053 0.000 1.048 267 K CA 2.961 59.225 56.287 -0.038 0.000 0.948 267 K CB -0.500 31.986 32.500 -0.024 0.000 0.742 267 K HN -0.315 7.916 8.250 -0.032 0.000 0.458 268 N N -0.301 118.356 118.700 -0.071 0.000 2.216 268 N HA -0.180 nan 4.740 nan 0.000 0.183 268 N C 2.048 177.485 175.510 -0.122 0.000 1.017 268 N CA 3.063 56.063 53.050 -0.083 0.000 0.861 268 N CB 0.664 39.100 38.487 -0.084 0.000 0.986 268 N HN -0.066 8.153 8.380 -0.070 0.119 0.428 269 V N -3.350 116.448 119.914 -0.193 0.000 2.649 269 V HA -0.117 nan 4.120 nan 0.000 0.248 269 V C 1.520 177.543 176.094 -0.117 0.000 1.054 269 V CA 2.576 64.730 62.300 -0.242 0.000 1.073 269 V CB -1.071 30.428 31.823 -0.539 0.000 0.699 269 V HN 0.121 8.093 8.190 -0.198 0.099 0.463 270 E N 1.204 121.356 120.200 -0.080 0.000 2.097 270 E HA -0.408 nan 4.350 nan 0.000 0.196 270 E C 2.484 179.068 176.600 -0.027 0.000 1.000 270 E CA 3.406 59.785 56.400 -0.034 0.000 0.804 270 E CB -0.179 29.506 29.700 -0.026 0.000 0.740 270 E HN 0.321 8.626 8.360 -0.092 0.000 0.454 271 K N 0.566 120.944 120.400 -0.036 0.000 2.009 271 K HA -0.228 nan 4.320 nan 0.000 0.210 271 K C 1.702 178.286 176.600 -0.027 0.000 1.049 271 K CA 2.187 58.457 56.287 -0.028 0.000 0.929 271 K CB -0.323 32.157 32.500 -0.032 0.000 0.714 271 K HN -0.689 7.534 8.250 -0.046 0.000 0.440 272 L N -3.009 118.190 121.223 -0.040 0.000 2.642 272 L HA -0.101 nan 4.340 nan 0.000 0.236 272 L C 0.471 177.331 176.870 -0.018 0.000 1.169 272 L CA 0.519 55.339 54.840 -0.033 0.000 0.851 272 L CB 0.180 42.208 42.059 -0.052 0.000 0.968 272 L HN -0.446 7.681 8.230 -0.058 0.068 0.453 273 G N -2.957 105.836 108.800 -0.012 0.000 2.132 273 G HA2 -0.325 nan 3.960 nan 0.000 0.228 273 G HA3 -0.325 nan 3.960 nan 0.000 0.228 273 G C -0.205 174.710 174.900 0.025 0.000 1.000 273 G CA -0.251 44.852 45.100 0.005 0.000 0.693 273 G HN -0.534 7.549 8.290 -0.019 0.196 0.515 274 V N -6.750 113.186 119.914 0.037 0.000 3.096 274 V HA 0.063 nan 4.120 nan 0.000 0.306 274 V C -0.232 175.943 176.094 0.136 0.000 1.088 274 V CA -0.795 61.565 62.300 0.100 0.000 1.129 274 V CB 0.186 32.100 31.823 0.152 0.000 1.014 274 V HN -0.567 7.628 8.190 0.008 0.000 0.486 275 K N 2.600 123.139 120.400 0.231 0.000 2.358 275 K HA -0.041 nan 4.320 nan 0.000 0.197 275 K C -1.435 175.339 176.600 0.290 0.000 1.025 275 K CA -0.251 56.187 56.287 0.253 0.000 1.104 275 K CB 0.918 33.560 32.500 0.236 0.000 0.855 275 K HN 0.461 8.873 8.250 0.271 0.000 0.531 276 A N -3.487 119.506 122.820 0.288 0.000 2.515 276 A HA 0.294 nan 4.320 nan 0.000 0.292 276 A C -2.562 175.044 177.584 0.036 0.000 1.065 276 A CA -0.241 51.811 52.037 0.026 0.000 0.641 276 A CB 2.334 21.169 19.000 -0.276 0.000 1.306 276 A HN -0.761 7.616 8.150 0.377 0.000 0.441 277 L N -2.478 118.664 121.223 -0.135 0.000 2.362 277 L HA 0.751 nan 4.340 nan 0.000 0.275 277 L C -1.609 175.075 176.870 -0.310 0.000 0.998 277 L CA -1.247 53.556 54.840 -0.062 0.000 0.820 277 L CB 3.119 45.160 42.059 -0.030 0.000 1.270 277 L HN 0.816 8.779 8.230 -0.266 0.108 0.415 278 F N 3.235 123.062 119.950 -0.205 0.000 2.311 278 F HA 0.327 nan 4.527 nan 0.000 0.371 278 F C -0.727 174.952 175.800 -0.202 0.000 1.083 278 F CA -1.067 56.769 58.000 -0.272 0.000 1.113 278 F CB 0.801 39.591 39.000 -0.350 0.000 1.349 278 F HN 0.838 9.122 8.300 0.137 0.098 0.470 279 V N 6.785 126.650 119.914 -0.082 0.000 2.470 279 V HA 0.124 nan 4.120 nan 0.000 0.276 279 V C -0.448 175.611 176.094 -0.058 0.000 1.040 279 V CA 0.108 62.372 62.300 -0.059 0.000 1.008 279 V CB -0.625 31.159 31.823 -0.064 0.000 0.990 279 V HN 0.789 8.887 8.190 -0.154 0.000 0.477 280 T N 9.224 123.726 114.554 -0.087 0.000 2.727 280 T HA 0.250 nan 4.350 nan 0.000 0.298 280 T C 0.476 175.230 174.700 0.090 0.000 0.942 280 T CA 0.592 62.670 62.100 -0.035 0.000 0.997 280 T CB -0.598 68.163 68.868 -0.178 0.000 0.917 280 T HN 0.076 8.227 8.240 -0.148 0.000 0.487 281 V N 0.731 120.675 119.914 0.050 0.000 3.271 281 V HA 0.386 nan 4.120 nan 0.000 0.327 281 V C -0.913 175.203 176.094 0.037 0.000 1.389 281 V CA 0.006 62.314 62.300 0.014 0.000 1.156 281 V CB -0.449 31.311 31.823 -0.104 0.000 1.103 281 V HN 0.762 8.866 8.190 0.031 0.105 0.453 282 D N -1.306 119.163 120.400 0.113 0.000 2.479 282 D HA -0.006 nan 4.640 nan 0.000 0.218 282 D C -0.642 175.706 176.300 0.080 0.000 1.177 282 D CA -0.712 53.347 54.000 0.099 0.000 0.830 282 D CB -0.481 40.401 40.800 0.136 0.000 1.014 282 D HN 0.065 8.472 8.370 0.181 0.071 0.503 283 A N -0.964 121.916 122.820 0.101 0.000 2.812 283 A HA 0.433 nan 4.320 nan 0.000 0.294 283 A C -1.920 175.642 177.584 -0.037 0.000 1.014 283 A CA -2.872 49.166 52.037 0.003 0.000 1.024 283 A CB -0.606 18.429 19.000 0.057 0.000 1.162 283 A HN -0.426 7.743 8.150 0.136 0.063 0.511 284 P HA -0.205 nan 4.420 nan 0.000 0.219 284 P C -0.883 176.390 177.300 -0.045 0.000 1.153 284 P CA 1.722 64.805 63.100 -0.028 0.000 0.865 284 P CB 0.306 31.995 31.700 -0.018 0.000 0.788 285 S N -4.558 111.109 115.700 -0.054 0.000 2.564 285 S HA 0.112 nan 4.470 nan 0.000 0.274 285 S C -1.825 172.725 174.600 -0.083 0.000 1.124 285 S CA -1.336 56.829 58.200 -0.059 0.000 0.869 285 S CB 2.997 66.175 63.200 -0.035 0.000 1.105 285 S HN -0.609 7.647 8.310 -0.053 0.022 0.472 286 L N 1.865 123.037 121.223 -0.086 0.000 2.260 286 L HA 0.056 nan 4.340 nan 0.000 0.289 286 L C 0.325 177.152 176.870 -0.073 0.000 1.057 286 L CA -1.394 53.382 54.840 -0.108 0.000 0.811 286 L CB 0.518 42.524 42.059 -0.089 0.000 1.184 286 L HN 0.141 8.332 8.230 -0.064 0.000 0.429 287 G N 5.345 114.089 108.800 -0.093 0.000 2.614 287 G HA2 -0.233 nan 3.960 nan 0.000 0.229 287 G HA3 -0.233 nan 3.960 nan 0.000 0.229 287 G C -1.252 173.628 174.900 -0.033 0.000 1.232 287 G CA 0.016 45.080 45.100 -0.059 0.000 0.857 287 G HN 0.020 8.629 8.290 -0.133 -0.399 0.560 288 Q N 1.497 121.287 119.800 -0.016 0.000 2.409 288 Q HA -0.179 nan 4.340 nan 0.000 0.240 288 Q C 0.023 176.018 176.000 -0.008 0.000 1.226 288 Q CA -0.061 55.740 55.803 -0.004 0.000 0.895 288 Q CB -0.145 28.595 28.738 0.004 0.000 1.491 288 Q HN 0.458 8.720 8.270 -0.014 0.000 0.509 289 R N 8.329 128.827 120.500 -0.005 0.000 4.138 289 R HA 0.065 nan 4.340 nan 0.000 0.206 289 R C -0.097 176.204 176.300 0.001 0.000 1.667 289 R CA -1.813 54.278 56.100 -0.016 0.000 1.481 289 R CB -1.902 28.392 30.300 -0.011 0.000 1.388 289 R HN 0.098 8.372 8.270 0.006 0.000 0.776 290 E N 3.251 123.452 120.200 0.001 0.000 2.277 290 E HA -0.560 nan 4.350 nan 0.000 0.216 290 E C 1.297 177.907 176.600 0.017 0.000 1.068 290 E CA 3.982 60.389 56.400 0.012 0.000 0.866 290 E CB -0.410 29.297 29.700 0.013 0.000 0.749 290 E HN -0.182 8.102 8.360 -0.003 0.074 0.465 291 K N -3.413 116.993 120.400 0.009 0.000 2.097 291 K HA -0.315 nan 4.320 nan 0.000 0.206 291 K C 1.236 177.861 176.600 0.041 0.000 1.049 291 K CA 2.423 58.725 56.287 0.025 0.000 0.933 291 K CB -0.240 32.264 32.500 0.007 0.000 0.717 291 K HN 0.175 8.392 8.250 -0.011 0.027 0.442 292 D N -1.359 119.068 120.400 0.044 0.000 2.081 292 D HA -0.140 nan 4.640 nan 0.000 0.194 292 D C 1.790 178.117 176.300 0.045 0.000 0.986 292 D CA 2.236 56.275 54.000 0.065 0.000 0.837 292 D CB 0.124 40.982 40.800 0.097 0.000 0.985 292 D HN -0.280 8.108 8.370 0.031 0.000 0.448 293 M N -0.085 119.537 119.600 0.037 0.000 2.308 293 M HA -0.554 nan 4.480 nan 0.000 0.257 293 M C 2.418 178.733 176.300 0.026 0.000 1.070 293 M CA 3.884 59.200 55.300 0.027 0.000 1.080 293 M CB -0.087 32.526 32.600 0.023 0.000 1.274 293 M HN -0.687 7.626 8.290 0.038 0.000 0.434 294 K N -2.695 117.722 120.400 0.029 0.000 2.588 294 K HA -0.284 nan 4.320 nan 0.000 0.196 294 K C 1.356 177.974 176.600 0.030 0.000 1.044 294 K CA 2.561 58.866 56.287 0.030 0.000 0.934 294 K CB -0.348 32.174 32.500 0.036 0.000 0.773 294 K HN -0.380 7.888 8.250 0.030 0.000 0.489 295 L N -5.442 115.799 121.223 0.030 0.000 2.953 295 L HA 0.158 nan 4.340 nan 0.000 0.258 295 L C -0.059 176.822 176.870 0.019 0.000 1.100 295 L CA 0.202 55.059 54.840 0.028 0.000 0.971 295 L CB 1.951 44.033 42.059 0.038 0.000 1.474 295 L HN 0.004 8.040 8.230 0.031 0.213 0.540 326 I N 1.565 122.172 120.570 0.061 0.000 2.441 326 I HA -0.059 nan 4.170 nan 0.000 0.287 326 I C -1.017 175.101 176.117 0.002 0.000 1.049 326 I CA -0.231 61.041 61.300 -0.048 0.000 1.381 326 I CB 0.806 38.650 38.000 -0.259 0.000 1.409 326 I HN -0.472 7.769 8.210 0.051 0.000 0.523 327 D N 7.813 128.229 120.400 0.027 0.000 2.345 327 D HA 0.132 nan 4.640 nan 0.000 0.247 327 D C -0.475 175.824 176.300 -0.002 0.000 1.108 327 D CA -1.955 52.051 54.000 0.011 0.000 0.894 327 D CB 1.414 42.226 40.800 0.019 0.000 1.203 327 D HN -0.043 8.362 8.370 0.059 0.000 0.430 328 P HA 0.067 nan 4.420 nan 0.000 0.237 328 P C -0.743 176.550 177.300 -0.011 0.000 1.178 328 P CA 1.105 64.198 63.100 -0.012 0.000 0.766 328 P CB 0.409 32.102 31.700 -0.012 0.000 0.876 329 S N -2.292 113.402 115.700 -0.009 0.000 2.556 329 S HA 0.015 nan 4.470 nan 0.000 0.216 329 S C -0.288 174.300 174.600 -0.020 0.000 0.970 329 S CA 0.134 58.328 58.200 -0.010 0.000 0.912 329 S CB 0.570 63.769 63.200 -0.003 0.000 0.790 329 S HN -0.139 8.462 8.310 -0.006 -0.294 0.504 330 L N 1.513 122.717 121.223 -0.031 0.000 2.516 330 L HA -0.216 nan 4.340 nan 0.000 0.288 330 L C -0.228 176.581 176.870 -0.102 0.000 1.246 330 L CA 1.420 56.224 54.840 -0.060 0.000 0.844 330 L CB 0.360 42.378 42.059 -0.069 0.000 1.106 330 L HN -0.368 7.848 8.230 -0.024 0.000 0.509 331 T N 0.979 115.452 114.554 -0.135 0.000 2.977 331 T HA 0.074 nan 4.350 nan 0.000 0.345 331 T C 0.176 174.797 174.700 -0.131 0.000 1.562 331 T CA -0.535 61.490 62.100 -0.124 0.000 1.090 331 T CB 1.384 70.248 68.868 -0.007 0.000 1.383 331 T HN -0.250 7.910 8.240 -0.134 0.000 0.484 332 W N 3.550 124.858 121.300 0.014 0.000 2.290 332 W HA -0.442 nan 4.660 nan 0.000 0.318 332 W C 1.472 177.994 176.519 0.006 0.000 1.248 332 W CA 3.754 61.104 57.345 0.009 0.000 1.263 332 W CB -0.287 29.177 29.460 0.008 0.000 1.147 332 W HN 0.513 8.595 8.180 -0.163 0.000 0.494 333 K N -2.985 117.543 120.400 0.214 0.000 2.113 333 K HA -0.379 nan 4.320 nan 0.000 0.208 333 K C 2.048 178.693 176.600 0.076 0.000 1.047 333 K CA 3.078 59.438 56.287 0.121 0.000 0.928 333 K CB -1.127 31.425 32.500 0.086 0.000 0.716 333 K HN 0.084 8.471 8.250 0.228 0.000 0.446 334 D N -1.045 119.384 120.400 0.048 0.000 2.218 334 D HA -0.191 nan 4.640 nan 0.000 0.204 334 D C 2.292 178.605 176.300 0.021 0.000 0.976 334 D CA 3.316 57.329 54.000 0.022 0.000 0.853 334 D CB -0.095 40.703 40.800 -0.002 0.000 0.939 334 D HN -0.361 8.016 8.370 0.044 0.020 0.481 335 I N -0.078 120.512 120.570 0.033 0.000 2.400 335 I HA -0.296 nan 4.170 nan 0.000 0.248 335 I C 1.695 177.847 176.117 0.059 0.000 1.109 335 I CA 1.727 63.048 61.300 0.035 0.000 1.425 335 I CB -0.506 37.526 38.000 0.053 0.000 1.094 335 I HN -0.210 7.884 8.210 0.051 0.147 0.425 336 E N 0.430 120.684 120.200 0.090 0.000 2.065 336 E HA -0.475 nan 4.350 nan 0.000 0.201 336 E C 2.689 179.314 176.600 0.042 0.000 1.016 336 E CA 3.676 60.118 56.400 0.071 0.000 0.818 336 E CB -0.376 29.369 29.700 0.076 0.000 0.749 336 E HN -0.101 8.334 8.360 0.124 0.000 0.453 337 E N -1.580 118.642 120.200 0.037 0.000 2.031 337 E HA -0.263 nan 4.350 nan 0.000 0.193 337 E C 2.550 179.161 176.600 0.018 0.000 0.994 337 E CA 2.032 58.447 56.400 0.024 0.000 0.800 337 E CB -0.444 29.269 29.700 0.022 0.000 0.752 337 E HN -0.214 8.172 8.360 0.043 0.000 0.447 338 L N -1.297 119.935 121.223 0.016 0.000 2.263 338 L HA -0.371 nan 4.340 nan 0.000 0.216 338 L C 1.120 177.992 176.870 0.004 0.000 1.111 338 L CA 2.395 57.240 54.840 0.009 0.000 0.773 338 L CB -0.156 41.905 42.059 0.005 0.000 0.906 338 L HN -0.523 7.719 8.230 0.020 0.000 0.439 339 K N -2.934 117.471 120.400 0.008 0.000 1.985 339 K HA -0.305 nan 4.320 nan 0.000 0.210 339 K C 2.307 178.908 176.600 0.002 0.000 1.047 339 K CA 3.173 59.461 56.287 0.003 0.000 0.932 339 K CB -0.120 32.387 32.500 0.011 0.000 0.716 339 K HN 0.001 8.132 8.250 0.018 0.129 0.439 340 K N -3.039 117.365 120.400 0.007 0.000 2.281 340 K HA -0.270 nan 4.320 nan 0.000 0.203 340 K C 1.593 178.194 176.600 0.003 0.000 1.046 340 K CA 2.555 58.846 56.287 0.006 0.000 0.938 340 K CB -0.221 32.285 32.500 0.009 0.000 0.737 340 K HN -0.269 7.914 8.250 0.012 0.074 0.458 341 K N -2.345 118.057 120.400 0.003 0.000 2.387 341 K HA 0.084 nan 4.320 nan 0.000 0.198 341 K C -1.350 175.249 176.600 -0.002 0.000 1.022 341 K CA -0.397 55.891 56.287 0.002 0.000 1.128 341 K CB 0.789 33.291 32.500 0.004 0.000 0.853 341 K HN -0.622 7.457 8.250 0.004 0.174 0.523 342 T N -2.467 112.084 114.554 -0.004 0.000 2.786 342 T HA 0.151 nan 4.350 nan 0.000 0.316 342 T C -1.521 173.173 174.700 -0.008 0.000 1.503 342 T CA -0.219 61.877 62.100 -0.007 0.000 1.019 342 T CB 2.416 71.279 68.868 -0.009 0.000 1.415 342 T HN -0.450 7.735 8.240 -0.004 0.053 0.496 343 K N 3.348 123.743 120.400 -0.007 0.000 2.276 343 K HA 0.153 nan 4.320 nan 0.000 0.198 343 K C -0.182 176.413 176.600 -0.008 0.000 1.052 343 K CA -0.222 56.061 56.287 -0.006 0.000 0.984 343 K CB 0.963 33.462 32.500 -0.001 0.000 0.836 343 K HN 0.250 8.657 8.250 -0.007 -0.160 0.490 344 L N 4.148 125.366 121.223 -0.009 0.000 2.514 344 L HA -0.005 nan 4.340 nan 0.000 0.280 344 L C -1.302 175.539 176.870 -0.047 0.000 1.223 344 L CA -1.227 53.605 54.840 -0.014 0.000 0.864 344 L CB -0.539 41.517 42.059 -0.005 0.000 1.118 344 L HN -0.700 7.526 8.230 -0.008 0.000 0.494 345 P HA 0.145 nan 4.420 nan 0.000 0.271 345 P C -2.039 175.122 177.300 -0.231 0.000 1.216 345 P CA -0.236 62.787 63.100 -0.128 0.000 0.771 345 P CB 0.557 32.187 31.700 -0.118 0.000 0.864 346 I N 2.328 122.761 120.570 -0.228 0.000 2.441 346 I HA 0.625 nan 4.170 nan 0.000 0.295 346 I C -1.425 174.467 176.117 -0.376 0.000 0.994 346 I CA -1.035 60.101 61.300 -0.272 0.000 1.144 346 I CB 2.613 40.527 38.000 -0.143 0.000 1.314 346 I HN -0.378 7.726 8.210 -0.176 0.000 0.445 347 V N 6.227 125.799 119.914 -0.570 0.000 2.577 347 V HA 0.460 nan 4.120 nan 0.000 0.303 347 V C -1.076 174.801 176.094 -0.362 0.000 1.042 347 V CA -1.491 60.455 62.300 -0.590 0.000 0.872 347 V CB 3.137 34.193 31.823 -1.278 0.000 0.998 347 V HN 0.977 8.719 8.190 -0.594 0.091 0.423 348 I N 7.372 127.845 120.570 -0.162 0.000 2.421 348 I HA 0.023 nan 4.170 nan 0.000 0.291 348 I C -1.442 174.658 176.117 -0.028 0.000 1.089 348 I CA 0.500 61.754 61.300 -0.076 0.000 1.354 348 I CB 0.230 38.226 38.000 -0.007 0.000 1.413 348 I HN -0.080 8.058 8.210 -0.120 0.000 0.513 349 K N 9.134 129.534 120.400 -0.000 0.000 2.264 349 K HA 0.242 nan 4.320 nan 0.000 0.277 349 K C -0.522 176.111 176.600 0.054 0.000 1.067 349 K CA -0.733 55.590 56.287 0.060 0.000 0.900 349 K CB 0.596 33.142 32.500 0.075 0.000 1.124 349 K HN 0.842 9.078 8.250 -0.024 0.000 0.469 350 G N 4.683 113.529 108.800 0.077 0.000 2.215 350 G HA2 -0.283 nan 3.960 nan 0.000 0.187 350 G HA3 -0.283 nan 3.960 nan 0.000 0.187 350 G C -1.171 173.781 174.900 0.087 0.000 1.039 350 G CA -0.418 44.736 45.100 0.091 0.000 0.771 350 G HN 0.322 8.667 8.290 0.091 0.000 0.507 351 V N -0.005 119.966 119.914 0.095 0.000 2.811 351 V HA -0.023 nan 4.120 nan 0.000 0.302 351 V C -0.721 175.433 176.094 0.099 0.000 1.063 351 V CA 0.935 63.299 62.300 0.107 0.000 1.088 351 V CB 0.995 32.895 31.823 0.129 0.000 0.982 351 V HN -0.279 7.973 8.190 0.103 0.000 0.485 352 Q N 1.802 121.660 119.800 0.095 0.000 2.038 352 Q HA 0.298 nan 4.340 nan 0.000 0.240 352 Q C -2.087 173.957 176.000 0.074 0.000 0.831 352 Q CA -0.360 55.491 55.803 0.080 0.000 1.068 352 Q CB 1.613 30.395 28.738 0.074 0.000 1.241 352 Q HN 0.517 8.851 8.270 0.106 0.000 0.435 353 R N -5.823 114.725 120.500 0.079 0.000 2.687 353 R HA 0.222 nan 4.340 nan 0.000 0.265 353 R C -0.027 176.312 176.300 0.066 0.000 1.048 353 R CA -0.490 55.650 56.100 0.066 0.000 0.884 353 R CB 1.356 31.696 30.300 0.066 0.000 1.258 353 R HN -0.667 7.659 8.270 0.092 0.000 0.469 354 T N 4.295 118.878 114.554 0.049 0.000 2.759 354 T HA -0.296 nan 4.350 nan 0.000 0.269 354 T C 1.493 176.216 174.700 0.039 0.000 1.042 354 T CA 4.598 66.723 62.100 0.042 0.000 1.140 354 T CB -0.553 68.331 68.868 0.028 0.000 0.864 354 T HN 0.881 9.146 8.240 0.042 0.000 0.455 355 E N -1.042 119.180 120.200 0.038 0.000 2.401 355 E HA -0.245 nan 4.350 nan 0.000 0.199 355 E C 1.890 178.511 176.600 0.035 0.000 1.023 355 E CA 3.016 59.430 56.400 0.023 0.000 0.859 355 E CB -0.845 28.870 29.700 0.025 0.000 0.780 355 E HN 0.517 8.884 8.360 0.042 0.018 0.523 356 D N -1.471 118.988 120.400 0.098 0.000 2.367 356 D HA 0.115 nan 4.640 nan 0.000 0.207 356 D C 1.756 178.153 176.300 0.161 0.000 1.034 356 D CA 1.940 56.053 54.000 0.187 0.000 0.861 356 D CB 0.382 41.376 40.800 0.324 0.000 0.943 356 D HN -0.367 8.030 8.370 0.102 0.035 0.515 357 V N 1.972 121.946 119.914 0.100 0.000 2.323 357 V HA -0.306 nan 4.120 nan 0.000 0.244 357 V C 1.592 177.701 176.094 0.026 0.000 1.041 357 V CA 4.294 66.643 62.300 0.083 0.000 1.025 357 V CB -0.323 31.540 31.823 0.067 0.000 0.656 357 V HN -0.049 8.075 8.190 0.085 0.116 0.451 358 I N -1.746 118.818 120.570 -0.010 0.000 2.252 358 I HA -0.620 nan 4.170 nan 0.000 0.245 358 I C 1.514 177.551 176.117 -0.132 0.000 1.102 358 I CA 4.737 66.005 61.300 -0.053 0.000 1.385 358 I CB -0.433 37.540 38.000 -0.045 0.000 1.064 358 I HN 0.054 8.267 8.210 0.005 0.000 0.414 359 K N -0.491 119.766 120.400 -0.238 0.000 2.032 359 K HA -0.413 nan 4.320 nan 0.000 0.209 359 K C 1.992 178.328 176.600 -0.440 0.000 1.048 359 K CA 3.909 59.878 56.287 -0.531 0.000 0.927 359 K CB -0.445 31.376 32.500 -1.131 0.000 0.712 359 K HN -0.678 7.461 8.250 -0.185 0.000 0.441 360 A N -1.709 121.012 122.820 -0.164 0.000 1.986 360 A HA -0.287 nan 4.320 nan 0.000 0.220 360 A C 1.640 179.234 177.584 0.017 0.000 1.171 360 A CA 2.870 54.964 52.037 0.096 0.000 0.640 360 A CB -0.967 18.160 19.000 0.211 0.000 0.811 360 A HN -0.071 7.925 8.150 -0.064 0.116 0.451 361 A N -1.906 120.895 122.820 -0.031 0.000 1.843 361 A HA -0.223 nan 4.320 nan 0.000 0.213 361 A C 2.543 180.093 177.584 -0.057 0.000 1.202 361 A CA 2.656 54.675 52.037 -0.030 0.000 0.607 361 A CB -0.668 18.315 19.000 -0.028 0.000 0.847 361 A HN -0.024 7.991 8.150 -0.044 0.108 0.445 362 E N -0.103 120.037 120.200 -0.100 0.000 2.130 362 E HA -0.345 nan 4.350 nan 0.000 0.196 362 E C 2.253 178.798 176.600 -0.092 0.000 0.998 362 E CA 2.547 58.885 56.400 -0.104 0.000 0.806 362 E CB 0.056 29.669 29.700 -0.145 0.000 0.738 362 E HN -0.049 8.237 8.360 -0.124 0.000 0.459 363 I N -9.621 110.890 120.570 -0.098 0.000 3.564 363 I HA 0.083 nan 4.170 nan 0.000 0.294 363 I C 0.213 176.335 176.117 0.008 0.000 1.289 363 I CA -0.133 61.150 61.300 -0.028 0.000 1.325 363 I CB -0.125 37.900 38.000 0.042 0.000 1.039 363 I HN -0.174 7.941 8.210 -0.145 0.008 0.474 364 G N -0.412 108.387 108.800 -0.001 0.000 2.171 364 G HA2 -0.372 nan 3.960 nan 0.000 0.238 364 G HA3 -0.372 nan 3.960 nan 0.000 0.238 364 G C -0.262 174.644 174.900 0.009 0.000 1.039 364 G CA -0.029 45.073 45.100 0.003 0.000 0.759 364 G HN -0.171 7.920 8.290 -0.017 0.188 0.501 365 V N -6.487 113.439 119.914 0.021 0.000 3.214 365 V HA 0.443 nan 4.120 nan 0.000 0.306 365 V C -0.271 175.804 176.094 -0.032 0.000 1.078 365 V CA -1.646 60.648 62.300 -0.010 0.000 1.077 365 V CB 0.347 32.166 31.823 -0.008 0.000 1.121 365 V HN -0.570 7.645 8.190 0.041 0.000 0.468 366 S N 0.928 116.582 115.700 -0.077 0.000 2.355 366 S HA 0.003 nan 4.470 nan 0.000 0.222 366 S C 0.193 174.772 174.600 -0.035 0.000 1.031 366 S CA 3.383 61.544 58.200 -0.066 0.000 0.993 366 S CB 0.916 64.046 63.200 -0.116 0.000 0.859 366 S HN 0.387 8.628 8.310 -0.116 0.000 0.453 367 G N -3.172 105.578 108.800 -0.082 0.000 2.949 367 G HA2 0.570 nan 3.960 nan 0.000 0.285 367 G HA3 0.570 nan 3.960 nan 0.000 0.285 367 G C -3.248 171.652 174.900 0.000 0.000 1.395 367 G CA -0.917 44.191 45.100 0.012 0.000 0.901 367 G HN -0.764 7.429 8.290 -0.161 0.000 0.519 368 V N -0.912 119.066 119.914 0.107 0.000 2.752 368 V HA 0.534 nan 4.120 nan 0.000 0.302 368 V C -1.893 174.327 176.094 0.211 0.000 1.133 368 V CA -0.282 62.087 62.300 0.116 0.000 0.919 368 V CB 3.961 35.858 31.823 0.123 0.000 1.026 368 V HN -0.124 8.202 8.190 0.227 0.000 0.429 369 V N 9.020 129.043 119.914 0.181 0.000 2.350 369 V HA 0.554 nan 4.120 nan 0.000 0.276 369 V C -0.743 175.463 176.094 0.187 0.000 1.028 369 V CA -1.820 60.634 62.300 0.256 0.000 0.860 369 V CB 0.554 32.511 31.823 0.222 0.000 0.990 369 V HN 0.662 8.920 8.190 0.114 0.000 0.453 370 L N 9.684 131.023 121.223 0.193 0.000 2.530 370 L HA 0.181 nan 4.340 nan 0.000 0.273 370 L C -1.625 175.323 176.870 0.129 0.000 1.141 370 L CA 0.307 55.231 54.840 0.140 0.000 0.905 370 L CB -1.245 40.890 42.059 0.128 0.000 1.202 370 L HN 0.072 8.443 8.230 0.235 0.000 0.473 371 S N 3.802 119.567 115.700 0.108 0.000 2.565 371 S HA 0.188 nan 4.470 nan 0.000 0.274 371 S C -2.107 172.552 174.600 0.099 0.000 1.144 371 S CA -0.489 57.769 58.200 0.098 0.000 0.849 371 S CB 1.093 64.347 63.200 0.090 0.000 1.103 371 S HN 0.338 8.710 8.310 0.103 0.000 0.455 372 N N 2.201 120.962 118.700 0.101 0.000 2.291 372 N HA 0.071 nan 4.740 nan 0.000 0.244 372 N C -0.595 175.019 175.510 0.172 0.000 1.216 372 N CA -0.848 52.268 53.050 0.109 0.000 0.879 372 N CB 0.754 39.284 38.487 0.072 0.000 1.167 372 N HN 0.426 8.860 8.380 0.090 0.000 0.515 373 H N 0.424 119.517 119.070 0.038 0.000 2.886 373 H HA -0.381 nan 4.556 nan 0.000 0.294 373 H C -0.357 174.978 175.328 0.011 0.000 1.246 373 H CA 0.955 57.020 56.048 0.029 0.000 1.142 373 H CB -1.479 28.306 29.762 0.039 0.000 1.358 373 H HN -0.212 8.075 8.280 0.155 0.086 0.406 374 G N -4.824 104.038 108.800 0.103 0.000 2.137 374 G HA2 -0.311 nan 3.960 nan 0.000 0.237 374 G HA3 -0.311 nan 3.960 nan 0.000 0.237 374 G C 0.079 175.065 174.900 0.144 0.000 1.002 374 G CA 0.008 45.163 45.100 0.091 0.000 0.702 374 G HN 0.069 8.405 8.290 0.078 0.000 0.515 375 G N -2.249 106.620 108.800 0.114 0.000 2.341 375 G HA2 -0.477 nan 3.960 nan 0.000 0.292 375 G HA3 -0.477 nan 3.960 nan 0.000 0.292 375 G C 0.001 174.926 174.900 0.041 0.000 1.021 375 G CA 0.913 46.067 45.100 0.089 0.000 0.905 375 G HN -0.367 7.986 8.290 0.105 0.000 0.508 376 R N -3.458 117.065 120.500 0.040 0.000 2.437 376 R HA 0.180 nan 4.340 nan 0.000 0.257 376 R C 0.482 176.742 176.300 -0.068 0.000 0.927 376 R CA -0.186 55.897 56.100 -0.027 0.000 1.078 376 R CB 0.271 30.557 30.300 -0.022 0.000 1.161 376 R HN -0.607 7.594 8.270 0.101 0.129 0.529 377 Q N -0.701 119.070 119.800 -0.049 0.000 2.875 377 Q HA -0.007 nan 4.340 nan 0.000 0.285 377 Q C -0.650 175.338 176.000 -0.019 0.000 1.123 377 Q CA -0.438 55.320 55.803 -0.076 0.000 0.476 377 Q CB 0.711 29.396 28.738 -0.088 0.000 4.981 377 Q HN -0.779 7.497 8.270 0.009 0.000 0.362 378 L N 1.214 122.443 121.223 0.010 0.000 2.410 378 L HA -0.103 nan 4.340 nan 0.000 0.273 378 L C 0.313 177.207 176.870 0.039 0.000 1.144 378 L CA 0.157 55.018 54.840 0.036 0.000 0.863 378 L CB 0.601 42.692 42.059 0.053 0.000 1.140 378 L HN -0.009 8.229 8.230 0.015 0.000 0.463 379 D N 5.413 125.849 120.400 0.059 0.000 2.224 379 D HA -0.223 nan 4.640 nan 0.000 0.205 379 D C 1.324 177.602 176.300 -0.037 0.000 0.965 379 D CA 2.650 56.655 54.000 0.007 0.000 0.852 379 D CB 0.368 41.191 40.800 0.038 0.000 0.947 379 D HN 0.427 8.842 8.370 0.074 0.000 0.494 380 F N -0.122 119.842 119.950 0.024 0.000 2.980 380 F HA 0.176 nan 4.527 nan 0.000 0.299 380 F C -0.247 175.568 175.800 0.024 0.000 1.211 380 F CA -0.773 57.242 58.000 0.024 0.000 1.328 380 F CB -0.230 38.781 39.000 0.019 0.000 1.154 380 F HN -0.427 8.069 8.300 0.327 0.000 0.528 381 S N -0.378 115.332 115.700 0.017 0.000 2.584 381 S HA 0.057 nan 4.470 nan 0.000 0.273 381 S C -0.850 173.756 174.600 0.011 0.000 1.311 381 S CA -0.590 57.632 58.200 0.037 0.000 1.034 381 S CB 0.900 64.118 63.200 0.031 0.000 0.939 381 S HN 0.044 8.234 8.310 -0.066 0.081 0.513 382 R N 4.123 124.640 120.500 0.027 0.000 2.707 382 R HA 0.024 nan 4.340 nan 0.000 0.270 382 R C -0.804 175.490 176.300 -0.010 0.000 1.083 382 R CA 0.549 56.655 56.100 0.010 0.000 1.182 382 R CB 0.968 31.278 30.300 0.017 0.000 1.084 382 R HN 0.287 8.581 8.270 0.040 0.000 0.528 383 A N 1.579 124.379 122.820 -0.034 0.000 2.401 383 A HA 0.289 nan 4.320 nan 0.000 0.259 383 A C -1.030 176.521 177.584 -0.055 0.000 1.103 383 A CA -2.510 49.493 52.037 -0.057 0.000 0.789 383 A CB -0.799 18.142 19.000 -0.098 0.000 1.035 383 A HN 0.386 8.514 8.150 -0.036 0.000 0.491 384 P HA -0.329 nan 4.420 nan 0.000 0.215 384 P C 1.002 178.272 177.300 -0.051 0.000 1.163 384 P CA 3.275 66.370 63.100 -0.008 0.000 0.894 384 P CB 0.084 31.809 31.700 0.041 0.000 0.791 385 I N -4.887 115.583 120.570 -0.168 0.000 2.423 385 I HA -0.405 nan 4.170 nan 0.000 0.254 385 I C 1.149 177.178 176.117 -0.146 0.000 1.151 385 I CA 2.495 63.660 61.300 -0.224 0.000 1.421 385 I CB -0.059 37.564 38.000 -0.627 0.000 1.079 385 I HN -0.008 8.060 8.210 -0.235 0.000 0.431 386 E N -0.067 120.055 120.200 -0.130 0.000 2.158 386 E HA -0.223 nan 4.350 nan 0.000 0.191 386 E C 2.584 179.164 176.600 -0.034 0.000 0.982 386 E CA 3.020 59.374 56.400 -0.078 0.000 0.823 386 E CB 0.174 29.831 29.700 -0.072 0.000 0.766 386 E HN -0.435 7.687 8.360 -0.140 0.155 0.468 387 V N 1.484 121.387 119.914 -0.020 0.000 2.323 387 V HA -0.317 nan 4.120 nan 0.000 0.244 387 V C 1.868 177.969 176.094 0.012 0.000 1.041 387 V CA 4.155 66.459 62.300 0.007 0.000 1.025 387 V CB -0.423 31.414 31.823 0.023 0.000 0.656 387 V HN -0.496 7.585 8.190 -0.029 0.091 0.451 388 L N -0.922 120.308 121.223 0.012 0.000 1.997 388 L HA -0.535 nan 4.340 nan 0.000 0.216 388 L C 1.709 178.588 176.870 0.015 0.000 1.074 388 L CA 3.570 58.424 54.840 0.022 0.000 0.763 388 L CB -0.600 41.475 42.059 0.027 0.000 0.890 388 L HN -0.051 8.181 8.230 0.005 0.000 0.434 389 A N -3.408 119.413 122.820 0.002 0.000 1.986 389 A HA -0.307 nan 4.320 nan 0.000 0.220 389 A C 0.982 178.571 177.584 0.009 0.000 1.171 389 A CA 2.786 54.826 52.037 0.005 0.000 0.640 389 A CB -0.746 18.249 19.000 -0.008 0.000 0.811 389 A HN -0.324 7.818 8.150 -0.012 0.000 0.451 390 E N -3.514 116.691 120.200 0.008 0.000 2.307 390 E HA -0.036 nan 4.350 nan 0.000 0.195 390 E C 1.778 178.388 176.600 0.016 0.000 0.975 390 E CA 1.410 57.817 56.400 0.011 0.000 0.878 390 E CB 1.074 30.779 29.700 0.010 0.000 0.845 390 E HN -0.304 7.903 8.360 0.006 0.156 0.488 391 T N -1.266 113.300 114.554 0.020 0.000 3.009 391 T HA 0.129 nan 4.350 nan 0.000 0.258 391 T C 2.154 176.867 174.700 0.021 0.000 1.063 391 T CA 3.197 65.311 62.100 0.024 0.000 1.139 391 T CB 0.257 69.145 68.868 0.034 0.000 0.890 391 T HN 0.108 8.249 8.240 0.021 0.111 0.471 392 M N 1.539 121.152 119.600 0.022 0.000 2.108 392 M HA 0.012 nan 4.480 nan 0.000 0.261 392 M C -0.701 175.609 176.300 0.016 0.000 1.066 392 M CA 2.908 58.220 55.300 0.019 0.000 1.107 392 M CB -3.337 29.275 32.600 0.020 0.000 1.356 392 M HN 0.354 8.657 8.290 0.023 0.000 0.406 393 P HA -0.181 nan 4.420 nan 0.000 0.214 393 P C 1.720 179.026 177.300 0.010 0.000 1.162 393 P CA 2.614 65.721 63.100 0.012 0.000 0.879 393 P CB -0.655 31.052 31.700 0.012 0.000 0.786 394 I N -2.569 118.007 120.570 0.009 0.000 2.113 394 I HA -0.523 nan 4.170 nan 0.000 0.242 394 I C 1.940 178.061 176.117 0.005 0.000 1.057 394 I CA 3.003 64.307 61.300 0.007 0.000 1.314 394 I CB -1.080 36.925 38.000 0.008 0.000 1.022 394 I HN -0.714 7.503 8.210 0.011 0.000 0.408 395 L N -3.943 117.285 121.223 0.008 0.000 2.261 395 L HA -0.421 nan 4.340 nan 0.000 0.216 395 L C 2.321 179.194 176.870 0.005 0.000 1.114 395 L CA 2.987 57.830 54.840 0.006 0.000 0.777 395 L CB -1.164 40.901 42.059 0.010 0.000 0.910 395 L HN -0.193 8.044 8.230 0.011 0.000 0.440 396 E N -0.742 119.462 120.200 0.007 0.000 2.051 396 E HA -0.273 nan 4.350 nan 0.000 0.189 396 E C 3.095 179.698 176.600 0.004 0.000 0.979 396 E CA 2.808 59.212 56.400 0.006 0.000 0.803 396 E CB -0.343 29.362 29.700 0.008 0.000 0.761 396 E HN -0.314 7.941 8.360 0.008 0.110 0.451 397 Q N 0.068 119.870 119.800 0.004 0.000 2.181 397 Q HA -0.228 nan 4.340 nan 0.000 0.205 397 Q C 2.166 178.166 176.000 -0.001 0.000 0.980 397 Q CA 2.737 58.541 55.803 0.002 0.000 0.862 397 Q CB -0.150 28.589 28.738 0.001 0.000 0.905 397 Q HN 0.002 8.274 8.270 0.005 0.000 0.429 398 R N -4.419 116.080 120.500 -0.002 0.000 2.334 398 R HA 0.126 nan 4.340 nan 0.000 0.220 398 R C -0.198 176.100 176.300 -0.005 0.000 0.917 398 R CA -0.216 55.880 56.100 -0.006 0.000 1.073 398 R CB 0.205 30.500 30.300 -0.009 0.000 1.056 398 R HN 0.010 8.260 8.270 -0.001 0.019 0.506 399 N N -3.872 114.827 118.700 -0.002 0.000 2.809 399 N HA -0.303 nan 4.740 nan 0.000 0.244 399 N C 0.425 175.934 175.510 -0.001 0.000 1.018 399 N CA 2.120 55.169 53.050 -0.001 0.000 0.917 399 N CB -0.772 37.714 38.487 -0.002 0.000 1.130 399 N HN 0.273 8.428 8.380 -0.000 0.225 0.591 400 L N -5.737 115.484 121.223 -0.003 0.000 2.627 400 L HA 0.200 nan 4.340 nan 0.000 0.232 400 L C 0.669 177.540 176.870 0.001 0.000 1.150 400 L CA 0.152 54.990 54.840 -0.003 0.000 0.917 400 L CB -1.041 41.013 42.059 -0.009 0.000 1.104 400 L HN -0.487 7.665 8.230 -0.004 0.076 0.445 401 K N 1.814 122.216 120.400 0.003 0.000 2.074 401 K HA -0.401 nan 4.320 nan 0.000 0.209 401 K C 1.511 178.114 176.600 0.005 0.000 1.048 401 K CA 3.579 59.869 56.287 0.005 0.000 0.926 401 K CB -0.390 32.114 32.500 0.006 0.000 0.713 401 K HN -0.399 7.752 8.250 0.002 0.100 0.444 402 D N -2.984 117.419 120.400 0.005 0.000 2.317 402 D HA -0.093 nan 4.640 nan 0.000 0.211 402 D C 1.208 177.512 176.300 0.007 0.000 0.966 402 D CA 2.085 56.089 54.000 0.006 0.000 0.876 402 D CB -0.551 40.253 40.800 0.006 0.000 0.927 402 D HN -0.192 8.180 8.370 0.004 0.000 0.519 403 K N -1.581 118.822 120.400 0.005 0.000 2.486 403 K HA -0.073 nan 4.320 nan 0.000 0.194 403 K C -0.907 175.698 176.600 0.008 0.000 1.033 403 K CA 0.413 56.702 56.287 0.004 0.000 1.004 403 K CB 0.265 32.766 32.500 0.000 0.000 0.798 403 K HN -0.370 7.704 8.250 0.004 0.177 0.495 404 L N -1.507 119.723 121.223 0.012 0.000 2.516 404 L HA 0.163 nan 4.340 nan 0.000 0.267 404 L C -2.049 174.839 176.870 0.029 0.000 0.957 404 L CA -0.320 54.533 54.840 0.022 0.000 0.860 404 L CB 2.733 44.805 42.059 0.023 0.000 1.265 404 L HN -0.886 7.279 8.230 0.010 0.071 0.403 405 E N 7.435 127.668 120.200 0.055 0.000 2.052 405 E HA 0.170 nan 4.350 nan 0.000 0.283 405 E C -1.280 175.369 176.600 0.083 0.000 1.071 405 E CA -0.903 55.521 56.400 0.040 0.000 0.851 405 E CB 0.820 30.593 29.700 0.122 0.000 1.066 405 E HN 0.518 8.808 8.360 0.065 0.109 0.396 406 V N 5.385 125.298 119.914 -0.001 0.000 2.432 406 V HA 0.335 nan 4.120 nan 0.000 0.271 406 V C -0.920 175.172 176.094 -0.003 0.000 1.046 406 V CA 0.285 62.631 62.300 0.076 0.000 0.945 406 V CB -0.344 31.511 31.823 0.053 0.000 0.992 406 V HN 0.327 8.492 8.190 -0.042 0.000 0.471 407 F N 7.804 127.835 119.950 0.134 0.000 2.452 407 F HA 0.806 nan 4.527 nan 0.000 0.353 407 F C -0.982 174.923 175.800 0.175 0.000 1.089 407 F CA -1.919 56.204 58.000 0.206 0.000 1.080 407 F CB 2.554 41.744 39.000 0.316 0.000 1.399 407 F HN 0.451 9.083 8.300 0.553 0.000 0.492 408 V N -1.211 118.916 119.914 0.355 0.000 2.924 408 V HA 0.485 nan 4.120 nan 0.000 0.300 408 V C -2.689 173.526 176.094 0.201 0.000 1.227 408 V CA -0.623 61.812 62.300 0.226 0.000 0.954 408 V CB 3.665 35.595 31.823 0.179 0.000 1.055 408 V HN 0.133 8.584 8.190 0.436 0.000 0.429 409 D N 4.209 124.700 120.400 0.152 0.000 2.752 409 D HA 0.648 nan 4.640 nan 0.000 0.313 409 D C -0.721 175.628 176.300 0.081 0.000 1.225 409 D CA -1.896 52.157 54.000 0.088 0.000 0.976 409 D CB 3.421 44.258 40.800 0.062 0.000 1.443 409 D HN 0.048 8.503 8.370 0.142 0.000 0.515 410 G N -2.870 105.949 108.800 0.032 0.000 3.172 410 G HA2 -0.305 nan 3.960 nan 0.000 0.686 410 G HA3 -0.305 nan 3.960 nan 0.000 0.686 410 G C 0.257 175.202 174.900 0.075 0.000 1.009 410 G CA -0.464 44.654 45.100 0.030 0.000 0.787 410 G HN -0.343 7.942 8.290 -0.010 0.000 0.559 411 G N -0.808 107.984 108.800 -0.014 0.000 2.196 411 G HA2 -0.467 nan 3.960 nan 0.000 0.268 411 G HA3 -0.467 nan 3.960 nan 0.000 0.268 411 G C -0.588 174.223 174.900 -0.150 0.000 0.975 411 G CA 0.905 45.977 45.100 -0.048 0.000 0.648 411 G HN 0.081 8.331 8.290 -0.066 0.000 0.538 412 V N -0.866 118.928 119.914 -0.199 0.000 2.637 412 V HA -0.047 nan 4.120 nan 0.000 0.296 412 V C 0.232 176.109 176.094 -0.362 0.000 1.046 412 V CA 1.280 63.373 62.300 -0.344 0.000 1.066 412 V CB -0.471 31.170 31.823 -0.304 0.000 0.968 412 V HN -0.134 7.929 8.190 -0.141 0.043 0.483 413 R N 2.788 123.072 120.500 -0.360 0.000 2.471 413 R HA 0.194 nan 4.340 nan 0.000 0.326 413 R C -1.554 174.539 176.300 -0.345 0.000 0.875 413 R CA -0.676 55.158 56.100 -0.444 0.000 1.102 413 R CB 2.202 32.143 30.300 -0.599 0.000 1.749 413 R HN 0.379 8.751 8.270 -0.315 -0.291 0.487 414 R N -3.377 116.982 120.500 -0.234 0.000 2.707 414 R HA 0.230 nan 4.340 nan 0.000 0.272 414 R C 0.886 177.107 176.300 -0.130 0.000 1.011 414 R CA -1.376 54.645 56.100 -0.132 0.000 0.893 414 R CB 3.138 33.439 30.300 0.002 0.000 1.233 414 R HN -0.903 7.232 8.270 -0.271 -0.028 0.464 415 G N 1.642 110.393 108.800 -0.082 0.000 2.422 415 G HA2 -0.212 nan 3.960 nan 0.000 0.218 415 G HA3 -0.212 nan 3.960 nan 0.000 0.218 415 G C 0.031 174.932 174.900 0.001 0.000 1.146 415 G CA 2.418 47.486 45.100 -0.055 0.000 0.769 415 G HN 0.579 9.085 8.290 -0.054 -0.249 0.547 416 T N -1.081 113.506 114.554 0.054 0.000 3.051 416 T HA -0.223 nan 4.350 nan 0.000 0.269 416 T C 1.742 176.513 174.700 0.119 0.000 1.127 416 T CA 3.082 65.300 62.100 0.197 0.000 1.107 416 T CB -1.110 67.923 68.868 0.276 0.000 0.898 416 T HN 0.261 8.518 8.240 0.041 0.007 0.517 417 D N 2.203 122.549 120.400 -0.088 0.000 2.162 417 D HA -0.050 nan 4.640 nan 0.000 0.205 417 D C 1.731 177.900 176.300 -0.218 0.000 0.964 417 D CA 2.860 56.634 54.000 -0.377 0.000 0.847 417 D CB -0.522 39.807 40.800 -0.785 0.000 0.988 417 D HN -0.237 7.906 8.370 -0.107 0.163 0.480 418 V N 1.471 121.308 119.914 -0.128 0.000 2.287 418 V HA -0.343 nan 4.120 nan 0.000 0.248 418 V C 2.089 178.232 176.094 0.081 0.000 1.053 418 V CA 3.942 66.236 62.300 -0.011 0.000 1.027 418 V CB -0.559 31.277 31.823 0.021 0.000 0.646 418 V HN -0.797 7.309 8.190 -0.140 0.000 0.447 419 L N -2.536 118.752 121.223 0.108 0.000 2.127 419 L HA -0.507 nan 4.340 nan 0.000 0.211 419 L C 2.137 179.157 176.870 0.250 0.000 1.089 419 L CA 3.586 58.521 54.840 0.159 0.000 0.757 419 L CB -0.957 41.185 42.059 0.137 0.000 0.899 419 L HN 0.308 8.588 8.230 0.084 0.000 0.434 420 K N -1.108 119.469 120.400 0.295 0.000 2.057 420 K HA -0.359 nan 4.320 nan 0.000 0.206 420 K C 2.340 179.085 176.600 0.243 0.000 1.050 420 K CA 3.270 59.726 56.287 0.282 0.000 0.935 420 K CB -0.247 32.411 32.500 0.264 0.000 0.715 420 K HN -0.442 7.875 8.250 0.260 0.089 0.439 421 A N -0.491 122.493 122.820 0.274 0.000 1.873 421 A HA -0.195 nan 4.320 nan 0.000 0.215 421 A C 2.294 179.960 177.584 0.137 0.000 1.186 421 A CA 3.014 55.184 52.037 0.221 0.000 0.616 421 A CB -0.657 18.484 19.000 0.236 0.000 0.823 421 A HN -0.131 8.190 8.150 0.286 0.000 0.442 422 L N -2.676 118.618 121.223 0.119 0.000 2.056 422 L HA -0.393 nan 4.340 nan 0.000 0.207 422 L C 2.397 179.315 176.870 0.080 0.000 1.078 422 L CA 3.037 57.925 54.840 0.081 0.000 0.749 422 L CB -0.367 41.736 42.059 0.072 0.000 0.901 422 L HN 0.263 8.571 8.230 0.130 0.000 0.433 423 C N -3.170 116.193 119.300 0.106 0.000 2.410 423 C HA -0.243 nan 4.460 nan 0.000 0.281 423 C C 1.198 176.238 174.990 0.083 0.000 1.318 423 C CA 2.761 61.839 59.018 0.100 0.000 1.776 423 C CB -1.478 26.348 27.740 0.144 0.000 1.942 423 C HN -0.093 8.217 8.230 0.133 0.000 0.508 424 L N -3.464 117.810 121.223 0.084 0.000 2.567 424 L HA -0.023 nan 4.340 nan 0.000 0.225 424 L C 0.216 177.113 176.870 0.045 0.000 1.119 424 L CA 0.218 55.095 54.840 0.062 0.000 0.871 424 L CB 0.740 42.835 42.059 0.060 0.000 1.036 424 L HN -0.659 7.488 8.230 0.101 0.143 0.459 425 G N -4.700 104.124 108.800 0.040 0.000 2.901 425 G HA2 -0.136 nan 3.960 nan 0.000 0.194 425 G HA3 -0.136 nan 3.960 nan 0.000 0.194 425 G C -1.120 173.779 174.900 -0.002 0.000 1.020 425 G CA -0.507 44.605 45.100 0.019 0.000 0.787 425 G HN -0.414 7.749 8.290 0.048 0.155 0.477 426 A N 1.530 124.355 122.820 0.008 0.000 2.511 426 A HA 0.022 nan 4.320 nan 0.000 0.242 426 A C -0.186 177.342 177.584 -0.093 0.000 1.069 426 A CA 0.573 52.590 52.037 -0.035 0.000 0.763 426 A CB 0.104 19.118 19.000 0.024 0.000 1.001 426 A HN -0.713 7.459 8.150 0.037 0.000 0.498 427 K N 3.864 124.113 120.400 -0.250 0.000 2.097 427 K HA -0.170 nan 4.320 nan 0.000 0.205 427 K C -0.656 175.812 176.600 -0.220 0.000 1.050 427 K CA 1.666 57.769 56.287 -0.306 0.000 0.938 427 K CB 1.044 33.191 32.500 -0.589 0.000 0.718 427 K HN 0.121 8.176 8.250 -0.324 0.000 0.442 428 G N -7.250 101.417 108.800 -0.221 0.000 2.601 428 G HA2 0.375 nan 3.960 nan 0.000 0.291 428 G HA3 0.375 nan 3.960 nan 0.000 0.291 428 G C -3.299 171.750 174.900 0.247 0.000 1.456 428 G CA -0.261 44.909 45.100 0.116 0.000 0.804 428 G HN -0.928 7.131 8.290 -0.342 0.025 0.499 429 V N -5.440 114.592 119.914 0.197 0.000 2.914 429 V HA 0.968 nan 4.120 nan 0.000 0.314 429 V C -1.972 173.904 176.094 -0.364 0.000 1.084 429 V CA -3.866 58.473 62.300 0.065 0.000 0.963 429 V CB 3.737 35.600 31.823 0.068 0.000 1.025 429 V HN 0.327 8.632 8.190 0.192 0.000 0.432 430 G N 1.126 109.644 108.800 -0.471 0.000 2.537 430 G HA2 0.954 nan 3.960 nan 0.000 0.308 430 G HA3 0.954 nan 3.960 nan 0.000 0.308 430 G C -3.085 171.665 174.900 -0.250 0.000 1.237 430 G CA -1.763 42.842 45.100 -0.824 0.000 0.968 430 G HN 0.185 8.387 8.290 -0.146 0.000 0.481 431 L N -0.405 120.757 121.223 -0.102 0.000 2.441 431 L HA 0.427 nan 4.340 nan 0.000 0.270 431 L C -0.199 176.705 176.870 0.057 0.000 0.973 431 L CA -0.521 54.297 54.840 -0.037 0.000 0.842 431 L CB 2.215 44.212 42.059 -0.104 0.000 1.239 431 L HN -0.225 7.962 8.230 -0.071 0.000 0.406 432 G N 2.160 110.917 108.800 -0.072 0.000 2.670 432 G HA2 -0.030 nan 3.960 nan 0.000 0.219 432 G HA3 -0.030 nan 3.960 nan 0.000 0.219 432 G C 1.166 175.925 174.900 -0.235 0.000 1.342 432 G CA 0.612 45.648 45.100 -0.107 0.000 0.902 432 G HN 0.319 8.539 8.290 -0.116 0.000 0.553 433 R N 1.353 121.641 120.500 -0.354 0.000 2.119 433 R HA -0.256 nan 4.340 nan 0.000 0.246 433 R C -0.579 175.355 176.300 -0.611 0.000 1.146 433 R CA 4.747 60.481 56.100 -0.609 0.000 0.962 433 R CB -1.730 28.280 30.300 -0.483 0.000 0.863 433 R HN 0.268 8.368 8.270 -0.282 0.000 0.442 434 P HA -0.251 nan 4.420 nan 0.000 0.214 434 P C 1.534 178.543 177.300 -0.486 0.000 1.163 434 P CA 3.410 66.253 63.100 -0.429 0.000 0.889 434 P CB -0.417 30.877 31.700 -0.677 0.000 0.790 435 F N -3.448 116.379 119.950 -0.205 0.000 2.069 435 F HA -0.321 nan 4.527 nan 0.000 0.298 435 F C 2.340 177.983 175.800 -0.262 0.000 1.113 435 F CA 3.153 61.024 58.000 -0.215 0.000 1.214 435 F CB -1.070 37.827 39.000 -0.173 0.000 0.978 435 F HN -0.862 6.864 8.300 -0.958 0.000 0.474 436 L N -1.635 119.467 121.223 -0.200 0.000 2.051 436 L HA -0.540 nan 4.340 nan 0.000 0.214 436 L C 2.057 178.725 176.870 -0.336 0.000 1.076 436 L CA 3.577 58.166 54.840 -0.417 0.000 0.758 436 L CB -0.114 41.483 42.059 -0.770 0.000 0.890 436 L HN -0.486 7.631 8.230 -0.189 0.000 0.433 437 Y N -4.942 115.280 120.300 -0.130 0.000 2.500 437 Y HA -0.135 nan 4.550 nan 0.000 0.270 437 Y C 1.666 177.530 175.900 -0.061 0.000 1.134 437 Y CA 1.201 59.304 58.100 0.006 0.000 1.293 437 Y CB -1.205 37.346 38.460 0.152 0.000 1.063 437 Y HN 0.067 8.054 8.280 -0.325 0.098 0.534 438 A N 1.107 123.834 122.820 -0.156 0.000 1.930 438 A HA -0.319 nan 4.320 nan 0.000 0.215 438 A C 1.714 179.171 177.584 -0.211 0.000 1.176 438 A CA 2.773 54.442 52.037 -0.613 0.000 0.632 438 A CB -0.610 17.792 19.000 -0.997 0.000 0.819 438 A HN 0.454 8.380 8.150 -0.160 0.129 0.445 439 N N -1.016 117.628 118.700 -0.093 0.000 2.039 439 N HA -0.304 nan 4.740 nan 0.000 0.193 439 N C 2.274 177.801 175.510 0.028 0.000 1.044 439 N CA 2.927 55.963 53.050 -0.023 0.000 0.847 439 N CB -0.286 38.184 38.487 -0.029 0.000 1.030 439 N HN 0.410 8.625 8.380 -0.099 0.106 0.422 440 S N -0.385 115.356 115.700 0.068 0.000 2.440 440 S HA -0.252 nan 4.470 nan 0.000 0.240 440 S C 1.701 176.363 174.600 0.104 0.000 1.014 440 S CA 3.160 61.440 58.200 0.134 0.000 0.980 440 S CB -0.004 63.356 63.200 0.267 0.000 0.775 440 S HN -0.354 7.982 8.310 0.043 0.000 0.499 441 C N -1.378 117.989 119.300 0.112 0.000 2.525 441 C HA -0.020 nan 4.460 nan 0.000 0.291 441 C C 0.747 175.598 174.990 -0.232 0.000 1.351 441 C CA 2.136 61.178 59.018 0.041 0.000 1.771 441 C CB 1.284 29.213 27.740 0.315 0.000 2.177 441 C HN -0.582 7.614 8.230 0.135 0.115 0.510 442 Y N -3.091 117.213 120.300 0.007 0.000 2.738 442 Y HA 0.172 nan 4.550 nan 0.000 0.249 442 Y C 0.351 176.244 175.900 -0.011 0.000 1.153 442 Y CA -0.791 57.318 58.100 0.016 0.000 1.165 442 Y CB -0.019 38.468 38.460 0.045 0.000 1.235 442 Y HN 0.182 8.546 8.280 0.139 0.000 0.559 443 G N 0.626 109.453 108.800 0.044 0.000 2.568 443 G HA2 -0.586 nan 3.960 nan 0.000 0.334 443 G HA3 -0.586 nan 3.960 nan 0.000 0.334 443 G C 0.263 175.180 174.900 0.028 0.000 1.348 443 G CA 1.583 46.699 45.100 0.027 0.000 0.949 443 G HN 0.580 8.837 8.290 0.022 0.047 0.532 444 R N 1.672 122.183 120.500 0.018 0.000 2.103 444 R HA -0.466 nan 4.340 nan 0.000 0.242 444 R C 2.431 178.747 176.300 0.026 0.000 1.142 444 R CA 3.523 59.629 56.100 0.009 0.000 0.960 444 R CB -0.454 29.849 30.300 0.005 0.000 0.858 444 R HN -0.258 8.208 8.270 0.015 -0.186 0.439 445 N N -0.554 118.180 118.700 0.057 0.000 2.166 445 N HA -0.193 nan 4.740 nan 0.000 0.186 445 N C 2.208 177.774 175.510 0.092 0.000 1.019 445 N CA 2.578 55.678 53.050 0.083 0.000 0.856 445 N CB -0.789 37.770 38.487 0.120 0.000 0.993 445 N HN -0.314 8.090 8.380 0.061 0.013 0.426 446 G N 0.389 109.252 108.800 0.104 0.000 2.404 446 G HA2 -0.251 nan 3.960 nan 0.000 0.215 446 G HA3 -0.251 nan 3.960 nan 0.000 0.215 446 G C 1.193 176.018 174.900 -0.125 0.000 1.174 446 G CA 2.065 47.151 45.100 -0.024 0.000 0.780 446 G HN 0.018 8.182 8.290 0.125 0.201 0.537 447 V N 2.358 122.240 119.914 -0.052 0.000 2.568 447 V HA -0.454 nan 4.120 nan 0.000 0.253 447 V C 2.024 178.139 176.094 0.036 0.000 1.072 447 V CA 3.334 65.638 62.300 0.007 0.000 1.084 447 V CB -1.061 30.745 31.823 -0.028 0.000 0.676 447 V HN -0.145 8.028 8.190 -0.028 0.000 0.469 448 E N 0.120 120.339 120.200 0.032 0.000 2.051 448 E HA -0.335 nan 4.350 nan 0.000 0.189 448 E C 1.737 178.390 176.600 0.088 0.000 0.979 448 E CA 3.154 59.581 56.400 0.046 0.000 0.803 448 E CB -0.106 29.615 29.700 0.036 0.000 0.761 448 E HN -0.139 8.111 8.360 0.025 0.125 0.451 449 K N 0.103 120.564 120.400 0.101 0.000 2.009 449 K HA -0.337 nan 4.320 nan 0.000 0.210 449 K C 2.129 178.853 176.600 0.207 0.000 1.049 449 K CA 3.125 59.500 56.287 0.146 0.000 0.929 449 K CB -0.203 32.410 32.500 0.189 0.000 0.714 449 K HN -0.132 8.167 8.250 0.082 0.000 0.440 450 A N -1.406 121.564 122.820 0.251 0.000 1.948 450 A HA -0.284 nan 4.320 nan 0.000 0.220 450 A C 2.082 179.822 177.584 0.260 0.000 1.177 450 A CA 3.290 55.502 52.037 0.292 0.000 0.636 450 A CB -1.135 18.010 19.000 0.241 0.000 0.815 450 A HN 0.109 8.346 8.150 0.145 0.000 0.449 451 I N -1.940 118.805 120.570 0.291 0.000 2.202 451 I HA -0.566 nan 4.170 nan 0.000 0.242 451 I C 2.155 178.431 176.117 0.265 0.000 1.091 451 I CA 3.620 65.126 61.300 0.342 0.000 1.368 451 I CB -0.148 37.999 38.000 0.245 0.000 1.058 451 I HN -0.813 7.450 8.210 0.244 0.093 0.410 452 E N 0.187 120.486 120.200 0.165 0.000 2.038 452 E HA -0.421 nan 4.350 nan 0.000 0.195 452 E C 2.545 179.200 176.600 0.090 0.000 1.000 452 E CA 3.327 59.797 56.400 0.116 0.000 0.803 452 E CB -0.184 29.564 29.700 0.081 0.000 0.750 452 E HN -0.558 7.892 8.360 0.150 0.000 0.448 453 I N -0.445 120.167 120.570 0.070 0.000 2.091 453 I HA -0.510 nan 4.170 nan 0.000 0.239 453 I C 2.154 178.254 176.117 -0.028 0.000 1.061 453 I CA 3.959 65.267 61.300 0.013 0.000 1.317 453 I CB -0.038 37.967 38.000 0.008 0.000 1.031 453 I HN 0.260 8.530 8.210 0.100 0.000 0.401 454 L N -1.467 119.707 121.223 -0.081 0.000 2.141 454 L HA -0.311 nan 4.340 nan 0.000 0.209 454 L C 1.409 178.254 176.870 -0.042 0.000 1.094 454 L CA 3.234 57.957 54.840 -0.195 0.000 0.763 454 L CB -0.389 41.352 42.059 -0.530 0.000 0.908 454 L HN -0.488 7.706 8.230 -0.060 0.000 0.437 455 R N -0.676 119.902 120.500 0.130 0.000 2.115 455 R HA -0.367 nan 4.340 nan 0.000 0.230 455 R C 2.054 178.414 176.300 0.101 0.000 1.111 455 R CA 3.556 59.788 56.100 0.221 0.000 0.976 455 R CB -0.615 29.821 30.300 0.226 0.000 0.870 455 R HN -0.159 8.124 8.270 0.150 0.076 0.445 456 D N -0.269 120.166 120.400 0.058 0.000 2.149 456 D HA -0.155 nan 4.640 nan 0.000 0.201 456 D C 2.192 178.501 176.300 0.014 0.000 0.972 456 D CA 3.384 57.403 54.000 0.031 0.000 0.835 456 D CB -0.580 40.231 40.800 0.018 0.000 0.966 456 D HN 0.203 8.513 8.370 0.055 0.093 0.476 457 E N 0.499 120.698 120.200 -0.001 0.000 2.051 457 E HA -0.319 nan 4.350 nan 0.000 0.192 457 E C 2.714 179.313 176.600 -0.001 0.000 0.991 457 E CA 3.163 59.556 56.400 -0.012 0.000 0.799 457 E CB 0.044 29.722 29.700 -0.037 0.000 0.748 457 E HN -0.442 7.842 8.360 -0.008 0.071 0.449 458 I N -0.835 119.746 120.570 0.017 0.000 2.286 458 I HA -0.506 nan 4.170 nan 0.000 0.248 458 I C 2.046 178.173 176.117 0.018 0.000 1.115 458 I CA 3.886 65.205 61.300 0.031 0.000 1.392 458 I CB -0.282 37.772 38.000 0.090 0.000 1.065 458 I HN 0.100 8.324 8.210 0.024 0.000 0.418 459 E N -0.217 119.999 120.200 0.026 0.000 2.015 459 E HA -0.349 nan 4.350 nan 0.000 0.191 459 E C 2.622 179.219 176.600 -0.004 0.000 0.991 459 E CA 3.287 59.695 56.400 0.014 0.000 0.802 459 E CB 0.026 29.740 29.700 0.023 0.000 0.759 459 E HN -0.695 7.602 8.360 0.039 0.086 0.447 460 M N -1.032 118.564 119.600 -0.006 0.000 2.117 460 M HA -0.345 nan 4.480 nan 0.000 0.262 460 M C 2.472 178.751 176.300 -0.034 0.000 1.065 460 M CA 4.162 59.452 55.300 -0.016 0.000 1.114 460 M CB 0.041 32.635 32.600 -0.011 0.000 1.361 460 M HN 0.184 8.475 8.290 0.001 0.000 0.408 461 S N -1.205 114.469 115.700 -0.043 0.000 2.515 461 S HA -0.144 nan 4.470 nan 0.000 0.231 461 S C 1.798 176.318 174.600 -0.133 0.000 0.987 461 S CA 2.951 61.099 58.200 -0.086 0.000 0.936 461 S CB -0.280 62.873 63.200 -0.078 0.000 0.766 461 S HN -0.048 8.245 8.310 -0.028 0.000 0.528 462 M N 2.295 121.842 119.600 -0.089 0.000 2.287 462 M HA -0.222 nan 4.480 nan 0.000 0.266 462 M C 1.510 177.766 176.300 -0.074 0.000 1.079 462 M CA 3.559 58.805 55.300 -0.089 0.000 1.146 462 M CB 0.014 32.586 32.600 -0.047 0.000 1.374 462 M HN -0.581 7.521 8.290 -0.056 0.154 0.435 463 R N 0.584 121.053 120.500 -0.052 0.000 2.094 463 R HA -0.308 nan 4.340 nan 0.000 0.239 463 R C 3.207 179.477 176.300 -0.050 0.000 1.137 463 R CA 3.322 59.398 56.100 -0.039 0.000 0.943 463 R CB -0.529 29.754 30.300 -0.027 0.000 0.850 463 R HN -0.659 7.585 8.270 -0.043 0.000 0.433 464 L N -1.745 119.439 121.223 -0.064 0.000 2.131 464 L HA -0.253 nan 4.340 nan 0.000 0.210 464 L C 1.280 178.083 176.870 -0.111 0.000 1.092 464 L CA 2.618 57.414 54.840 -0.073 0.000 0.759 464 L CB -0.322 41.694 42.059 -0.072 0.000 0.903 464 L HN -0.470 7.723 8.230 -0.062 0.000 0.435 465 L N -4.566 116.555 121.223 -0.170 0.000 2.217 465 L HA -0.172 nan 4.340 nan 0.000 0.211 465 L C 0.790 177.601 176.870 -0.099 0.000 1.107 465 L CA 1.224 55.944 54.840 -0.200 0.000 0.783 465 L CB 0.890 42.779 42.059 -0.283 0.000 0.919 465 L HN -0.217 7.717 8.230 -0.180 0.188 0.442 466 G N -3.476 105.283 108.800 -0.069 0.000 2.203 466 G HA2 -0.383 nan 3.960 nan 0.000 0.231 466 G HA3 -0.383 nan 3.960 nan 0.000 0.231 466 G C -1.356 173.525 174.900 -0.032 0.000 1.058 466 G CA -0.099 44.977 45.100 -0.039 0.000 0.781 466 G HN -0.308 7.800 8.290 -0.074 0.138 0.496 467 V N -7.168 112.722 119.914 -0.039 0.000 3.040 467 V HA 0.615 nan 4.120 nan 0.000 0.312 467 V C -1.876 174.207 176.094 -0.019 0.000 1.115 467 V CA -2.139 60.145 62.300 -0.025 0.000 0.998 467 V CB 2.520 34.325 31.823 -0.029 0.000 1.042 467 V HN -0.432 7.729 8.190 -0.049 0.000 0.433 468 T N -4.716 109.834 114.554 -0.008 0.000 2.958 468 T HA 0.188 nan 4.350 nan 0.000 0.256 468 T C -0.882 173.821 174.700 0.005 0.000 0.983 468 T CA 0.197 62.296 62.100 -0.002 0.000 0.924 468 T CB 0.576 69.445 68.868 0.001 0.000 1.136 468 T HN -0.102 8.468 8.240 -0.005 -0.332 0.506 469 S N -1.346 114.358 115.700 0.007 0.000 2.541 469 S HA 0.459 nan 4.470 nan 0.000 0.271 469 S C 0.911 175.520 174.600 0.015 0.000 1.133 469 S CA -1.457 56.752 58.200 0.015 0.000 0.876 469 S CB 3.022 66.233 63.200 0.019 0.000 1.105 469 S HN -0.685 7.670 8.310 0.004 -0.043 0.470 470 I N 3.139 123.720 120.570 0.018 0.000 2.185 470 I HA -0.509 nan 4.170 nan 0.000 0.246 470 I C 1.419 177.548 176.117 0.020 0.000 1.088 470 I CA 3.113 64.425 61.300 0.019 0.000 1.347 470 I CB -1.123 36.888 38.000 0.018 0.000 1.041 470 I HN 0.192 8.414 8.210 0.020 0.000 0.415 471 A N -2.348 120.485 122.820 0.021 0.000 2.121 471 A HA -0.215 nan 4.320 nan 0.000 0.218 471 A C 0.941 178.536 177.584 0.018 0.000 1.154 471 A CA 2.376 54.425 52.037 0.020 0.000 0.679 471 A CB -0.844 18.169 19.000 0.021 0.000 0.795 471 A HN 0.069 8.218 8.150 0.023 0.015 0.458 472 E N -2.532 117.677 120.200 0.016 0.000 2.299 472 E HA -0.101 nan 4.350 nan 0.000 0.193 472 E C -0.019 176.590 176.600 0.015 0.000 0.998 472 E CA 0.364 56.772 56.400 0.013 0.000 0.851 472 E CB 0.521 30.226 29.700 0.008 0.000 0.795 472 E HN -0.315 7.887 8.360 0.015 0.167 0.492 473 L N 1.274 122.507 121.223 0.018 0.000 2.617 473 L HA -0.232 nan 4.340 nan 0.000 0.282 473 L C -0.660 176.232 176.870 0.036 0.000 1.174 473 L CA 0.494 55.350 54.840 0.026 0.000 1.016 473 L CB -1.812 40.267 42.059 0.033 0.000 1.337 473 L HN -0.557 7.521 8.230 0.018 0.163 0.460 474 K N 3.746 124.169 120.400 0.038 0.000 2.583 474 K HA 0.415 nan 4.320 nan 0.000 0.263 474 K C -1.327 175.306 176.600 0.056 0.000 1.038 474 K CA -2.208 54.104 56.287 0.041 0.000 1.031 474 K CB 0.183 32.702 32.500 0.032 0.000 1.399 474 K HN -0.720 7.551 8.250 0.034 0.000 0.531 475 P HA 0.049 nan 4.420 nan 0.000 0.227 475 P C -0.199 177.143 177.300 0.070 0.000 1.161 475 P CA 1.867 65.006 63.100 0.066 0.000 0.788 475 P CB -0.006 31.725 31.700 0.052 0.000 0.822 476 D N -3.275 117.159 120.400 0.057 0.000 2.371 476 D HA -0.201 nan 4.640 nan 0.000 0.221 476 D C 0.785 177.128 176.300 0.071 0.000 0.986 476 D CA 1.650 55.684 54.000 0.056 0.000 0.899 476 D CB -1.500 39.325 40.800 0.041 0.000 0.902 476 D HN 0.342 8.706 8.370 0.049 0.035 0.530 477 L N -1.650 119.624 121.223 0.085 0.000 2.650 477 L HA -0.053 nan 4.340 nan 0.000 0.235 477 L C -1.433 175.555 176.870 0.196 0.000 1.149 477 L CA 0.643 55.549 54.840 0.110 0.000 0.887 477 L CB -0.024 42.086 42.059 0.086 0.000 1.021 477 L HN -0.917 7.310 8.230 0.079 0.050 0.441 478 L N -3.078 118.246 121.223 0.169 0.000 2.410 478 L HA 0.227 nan 4.340 nan 0.000 0.270 478 L C -1.958 174.984 176.870 0.119 0.000 0.983 478 L CA -1.717 53.231 54.840 0.179 0.000 0.822 478 L CB 3.554 45.700 42.059 0.146 0.000 1.285 478 L HN -0.609 7.588 8.230 0.123 0.107 0.409 479 D N 3.429 123.901 120.400 0.121 0.000 2.393 479 D HA 0.108 nan 4.640 nan 0.000 0.232 479 D C -0.172 176.169 176.300 0.069 0.000 1.192 479 D CA -0.882 53.167 54.000 0.082 0.000 0.882 479 D CB 0.150 40.997 40.800 0.077 0.000 1.038 479 D HN 0.452 8.804 8.370 0.151 0.109 0.499 480 L N 4.373 125.624 121.223 0.048 0.000 2.851 480 L HA 0.253 nan 4.340 nan 0.000 0.237 480 L C 0.829 177.711 176.870 0.020 0.000 1.257 480 L CA -0.896 53.965 54.840 0.035 0.000 1.061 480 L CB -1.846 40.229 42.059 0.028 0.000 1.372 480 L HN -0.139 8.118 8.230 0.046 0.000 0.493 481 S N 0.005 115.710 115.700 0.010 0.000 2.496 481 S HA -0.074 nan 4.470 nan 0.000 0.224 481 S C 0.841 175.435 174.600 -0.011 0.000 0.996 481 S CA 2.199 60.396 58.200 -0.006 0.000 0.927 481 S CB 0.257 63.445 63.200 -0.020 0.000 0.774 481 S HN -0.195 8.301 8.310 0.010 -0.180 0.524 482 T N -2.083 112.468 114.554 -0.006 0.000 3.266 482 T HA 0.314 nan 4.350 nan 0.000 0.278 482 T C 0.285 174.993 174.700 0.014 0.000 1.010 482 T CA -1.964 60.134 62.100 -0.004 0.000 0.909 482 T CB -0.221 68.632 68.868 -0.024 0.000 1.122 482 T HN -0.082 8.159 8.240 0.002 0.000 0.536 483 L N 2.581 123.812 121.223 0.013 0.000 2.187 483 L HA -0.257 nan 4.340 nan 0.000 0.213 483 L C -0.152 176.716 176.870 -0.004 0.000 1.100 483 L CA 2.965 57.807 54.840 0.004 0.000 0.765 483 L CB -0.152 41.905 42.059 -0.004 0.000 0.904 483 L HN -0.770 7.410 8.230 0.011 0.057 0.437 484 K N -4.385 116.015 120.400 -0.000 0.000 2.397 484 K HA 0.048 nan 4.320 nan 0.000 0.202 484 K C -0.467 176.136 176.600 0.004 0.000 1.022 484 K CA -1.339 54.948 56.287 0.001 0.000 1.141 484 K CB -1.204 31.296 32.500 0.001 0.000 0.857 484 K HN -0.177 8.023 8.250 0.002 0.052 0.514 485 A N 1.799 124.622 122.820 0.006 0.000 3.063 485 A HA 0.052 nan 4.320 nan 0.000 0.263 485 A C -1.302 176.290 177.584 0.013 0.000 1.736 485 A CA -0.453 51.588 52.037 0.008 0.000 1.408 485 A CB -0.990 18.015 19.000 0.008 0.000 1.108 485 A HN -0.039 7.963 8.150 0.009 0.153 0.621 486 R N 3.253 123.760 120.500 0.012 0.000 2.369 486 R HA 0.161 nan 4.340 nan 0.000 0.310 486 R C -0.952 175.361 176.300 0.022 0.000 1.141 486 R CA -0.254 55.856 56.100 0.016 0.000 1.116 486 R CB -0.327 29.983 30.300 0.017 0.000 1.135 486 R HN -0.501 7.732 8.270 0.011 0.043 0.529 487 T N 1.247 115.814 114.554 0.022 0.000 2.895 487 T HA 0.205 nan 4.350 nan 0.000 0.283 487 T C -0.356 174.362 174.700 0.029 0.000 1.014 487 T CA -0.693 61.420 62.100 0.022 0.000 1.037 487 T CB 1.193 70.069 68.868 0.014 0.000 1.006 487 T HN -0.199 8.054 8.240 0.022 0.000 0.468 488 V N 2.867 122.799 119.914 0.030 0.000 2.459 488 V HA 0.264 nan 4.120 nan 0.000 0.295 488 V C 0.805 176.912 176.094 0.022 0.000 1.029 488 V CA -0.405 61.916 62.300 0.034 0.000 0.874 488 V CB 1.327 33.175 31.823 0.042 0.000 0.985 488 V HN 0.350 8.555 8.190 0.024 0.000 0.438 489 G N 4.915 113.727 108.800 0.020 0.000 2.537 489 G HA2 0.223 nan 3.960 nan 0.000 0.273 489 G HA3 0.223 nan 3.960 nan 0.000 0.273 489 G C -0.782 174.123 174.900 0.008 0.000 1.189 489 G CA -0.570 44.536 45.100 0.011 0.000 0.881 489 G HN -0.160 8.145 8.290 0.025 0.000 0.535 490 V N 0.579 120.494 119.914 0.001 0.000 2.686 490 V HA 0.164 nan 4.120 nan 0.000 0.295 490 V C -0.795 175.300 176.094 0.000 0.000 1.055 490 V CA -2.450 59.849 62.300 -0.002 0.000 1.050 490 V CB 0.579 32.395 31.823 -0.011 0.000 0.984 490 V HN 0.156 8.344 8.190 -0.002 0.000 0.482 491 P HA 0.031 nan 4.420 nan 0.000 0.258 491 P C -1.506 175.798 177.300 0.007 0.000 1.172 491 P CA 0.366 63.470 63.100 0.008 0.000 0.762 491 P CB 0.739 32.443 31.700 0.007 0.000 0.764 492 N N 3.572 122.281 118.700 0.015 0.000 2.359 492 N HA -0.268 nan 4.740 nan 0.000 0.261 492 N C -0.045 175.482 175.510 0.028 0.000 1.267 492 N CA 0.689 53.752 53.050 0.021 0.000 0.864 492 N CB 0.503 39.007 38.487 0.028 0.000 1.063 492 N HN -0.042 8.348 8.380 0.017 0.000 0.474 493 D N 5.632 126.051 120.400 0.031 0.000 2.429 493 D HA -0.095 nan 4.640 nan 0.000 0.253 493 D C 0.599 176.952 176.300 0.088 0.000 1.294 493 D CA 0.040 54.069 54.000 0.049 0.000 1.063 493 D CB -0.295 40.527 40.800 0.037 0.000 1.096 493 D HN 0.180 8.562 8.370 0.019 0.000 0.516 494 V N 4.624 124.578 119.914 0.067 0.000 2.287 494 V HA -0.414 nan 4.120 nan 0.000 0.248 494 V C 1.587 177.730 176.094 0.082 0.000 1.053 494 V CA 3.568 65.908 62.300 0.066 0.000 1.027 494 V CB -0.225 31.626 31.823 0.046 0.000 0.646 494 V HN -0.132 8.068 8.190 0.050 0.020 0.447 495 L N -2.157 119.120 121.223 0.090 0.000 2.072 495 L HA -0.347 nan 4.340 nan 0.000 0.205 495 L C 1.596 178.548 176.870 0.137 0.000 1.079 495 L CA 3.151 58.046 54.840 0.092 0.000 0.752 495 L CB -0.360 41.747 42.059 0.080 0.000 0.906 495 L HN -0.368 7.911 8.230 0.081 0.000 0.436 496 Y N -0.243 120.078 120.300 0.035 0.000 2.274 496 Y HA -0.546 nan 4.550 nan 0.000 0.290 496 Y C 1.882 177.830 175.900 0.080 0.000 1.145 496 Y CA 3.777 61.906 58.100 0.049 0.000 1.203 496 Y CB 0.065 38.536 38.460 0.020 0.000 0.984 496 Y HN -0.240 8.498 8.280 0.264 -0.300 0.533 497 N N -2.541 116.276 118.700 0.194 0.000 2.290 497 N HA -0.149 nan 4.740 nan 0.000 0.179 497 N C 1.964 177.528 175.510 0.090 0.000 1.016 497 N CA 2.347 55.476 53.050 0.131 0.000 0.871 497 N CB -0.304 38.257 38.487 0.122 0.000 0.987 497 N HN -0.293 8.201 8.380 0.215 0.014 0.431 498 E N -0.531 119.708 120.200 0.065 0.000 2.047 498 E HA -0.155 nan 4.350 nan 0.000 0.191 498 E C 1.865 178.471 176.600 0.011 0.000 0.987 498 E CA 2.382 58.805 56.400 0.038 0.000 0.799 498 E CB 0.600 30.318 29.700 0.030 0.000 0.752 498 E HN -0.242 8.064 8.360 0.076 0.099 0.449 499 V N -6.653 113.257 119.914 -0.007 0.000 2.871 499 V HA -0.123 nan 4.120 nan 0.000 0.256 499 V C 0.470 176.506 176.094 -0.097 0.000 1.082 499 V CA 0.898 63.170 62.300 -0.047 0.000 1.105 499 V CB -0.373 31.423 31.823 -0.045 0.000 0.713 499 V HN -0.446 7.749 8.190 0.008 0.000 0.473 500 Y N 2.322 122.491 120.300 -0.219 0.000 2.480 500 Y HA -0.148 nan 4.550 nan 0.000 0.338 500 Y C -0.557 175.261 175.900 -0.136 0.000 1.220 500 Y CA 0.609 58.556 58.100 -0.254 0.000 1.430 500 Y CB 1.206 39.453 38.460 -0.356 0.000 1.311 500 Y HN -0.643 7.491 8.280 0.008 0.151 0.575 501 E N 4.722 124.181 120.200 -1.235 0.000 2.331 501 E HA 0.263 nan 4.350 nan 0.000 0.275 501 E C -2.025 174.036 176.600 -0.900 0.000 0.895 501 E CA -1.070 54.873 56.400 -0.762 0.000 0.753 501 E CB 2.541 32.015 29.700 -0.377 0.000 1.216 501 E HN 0.015 7.477 8.360 -1.497 0.000 0.434 502 G N 2.052 110.619 108.800 -0.389 0.000 3.107 502 G HA2 0.490 nan 3.960 nan 0.000 0.232 502 G HA3 0.490 nan 3.960 nan 0.000 0.232 502 G C -1.979 172.884 174.900 -0.061 0.000 1.339 502 G CA -1.470 43.548 45.100 -0.136 0.000 1.033 502 G HN 0.138 8.308 8.290 -0.201 0.000 0.567 503 P HA 0.171 nan 4.420 nan 0.000 0.272 503 P C -1.055 176.233 177.300 -0.019 0.000 1.248 503 P CA 0.250 63.345 63.100 -0.009 0.000 0.799 503 P CB 0.591 32.297 31.700 0.011 0.000 0.997 504 T N -0.617 113.923 114.554 -0.024 0.000 2.896 504 T HA 0.399 nan 4.350 nan 0.000 0.297 504 T C -0.920 173.764 174.700 -0.028 0.000 1.108 504 T CA -0.390 61.694 62.100 -0.026 0.000 1.004 504 T CB 1.311 70.158 68.868 -0.034 0.000 1.159 504 T HN -0.024 8.202 8.240 -0.024 0.000 0.499 505 L N 0.679 121.883 121.223 -0.030 0.000 2.376 505 L HA 0.523 nan 4.340 nan 0.000 0.267 505 L C 0.332 177.164 176.870 -0.063 0.000 1.035 505 L CA -0.535 54.278 54.840 -0.045 0.000 0.800 505 L CB 1.325 43.358 42.059 -0.044 0.000 1.290 505 L HN 0.325 8.540 8.230 -0.026 0.000 0.462 506 T N 0.395 114.893 114.554 -0.093 0.000 2.937 506 T HA -0.091 nan 4.350 nan 0.000 0.316 506 T C -0.760 173.846 174.700 -0.157 0.000 1.079 506 T CA 0.656 62.682 62.100 -0.124 0.000 1.131 506 T CB 0.369 69.146 68.868 -0.152 0.000 1.000 506 T HN 0.195 8.379 8.240 -0.094 0.000 0.549 507 E N 2.937 123.062 120.200 -0.126 0.000 2.250 507 E HA 0.280 nan 4.350 nan 0.000 0.269 507 E C -1.047 175.474 176.600 -0.130 0.000 1.018 507 E CA -0.770 55.585 56.400 -0.075 0.000 0.873 507 E CB 1.081 30.771 29.700 -0.016 0.000 1.134 507 E HN 0.344 8.641 8.360 -0.106 0.000 0.403 508 F N 0.859 120.805 119.950 -0.007 0.000 2.291 508 F HA 0.093 nan 4.527 nan 0.000 0.305 508 F C -0.282 175.514 175.800 -0.006 0.000 1.171 508 F CA -0.059 57.938 58.000 -0.006 0.000 1.090 508 F CB 0.847 39.844 39.000 -0.006 0.000 1.436 508 F HN -0.219 8.219 8.300 0.229 0.000 0.509 509 E N -0.382 119.962 120.200 0.239 0.000 2.343 509 E HA -0.015 nan 4.350 nan 0.000 0.269 509 E C -0.475 176.184 176.600 0.097 0.000 1.047 509 E CA 0.504 56.977 56.400 0.121 0.000 0.874 509 E CB 0.711 30.466 29.700 0.091 0.000 1.033 509 E HN -0.047 8.517 8.360 0.340 0.000 0.409 510 D N 1.013 121.447 120.400 0.057 0.000 2.289 510 D HA -0.095 nan 4.640 nan 0.000 0.207 510 D C -1.253 175.058 176.300 0.019 0.000 0.966 510 D CA 1.181 55.201 54.000 0.034 0.000 0.868 510 D CB 0.104 nan 40.800 nan 0.000 0.943 510 D HN 0.631 9.030 8.370 0.048 0.000 0.514 511 A N 0.000 122.834 122.820 0.024 0.000 2.254 511 A HA 0.000 nan 4.320 nan 0.000 0.244 511 A CA 0.000 52.047 52.037 0.017 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 8.120 8.150 0.033 0.049 0.486