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 1tsp_1_A DATA FIRST_RESID 113 DATA SEQUENCE YSIEADKKFK YSVKLSDYPT LQDAASAAVD GLLIDRDYNF YGGETVDFGG DATA SEQUENCE KVLTIECKAK FIGDGNLIFT KLGKGSRIAG VFMESTTTPW VIKPWTDDNQ DATA SEQUENCE WLTDAAAVVA TLKQSKTDGY QPTVSDYVKF PGIETLLPPN AKGQNITSTL DATA SEQUENCE EIRECIGVEV HRASGLMAGF LFRGCHFCKM VDANNPSGGK DGIITFENLS DATA SEQUENCE GDWGKGNYVI GGRTSYGSVS SAQFLRNNGG FERDGGVIGF TSYRAGESGV DATA SEQUENCE KTWQGTVGST TSRNYNLQFR DSVVIYPVWD GFDLGADTXX XXXXDRPGDY DATA SEQUENCE PITQYPLHQL PLNHLIDNLL VRGALGVGFG MDGKGMYVSN ITVEDCAGSG DATA SEQUENCE AYLLTHESVF TNIAIIDTNT KDFQANQIYI SGACRVNGLR LIGIRSXXXX DATA SEQUENCE SLTIDAPNST VSGITGMVDP SRINVANLAE EGLGNIRANS FGYDSAAIKL DATA SEQUENCE RIHKLSKTLD SGALYSHING GAGSGSAYTQ LTAISGSTPD AVSLKVNHKD DATA SEQUENCE CRGAEIPFVP DIASDDFIKD SSCFLPYWEN NSTSLKALVK KPNGELVRLT DATA SEQUENCE LATL 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 113 Y HA 0.000 nan 4.550 nan 0.000 0.201 113 Y C 0.000 175.913 175.900 0.022 0.000 1.272 113 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 113 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 114 S N 1.034 116.735 115.700 0.001 0.000 2.381 114 S HA -0.234 4.236 4.470 0.000 0.000 0.230 114 S C 1.800 176.327 174.600 -0.121 0.000 1.052 114 S CA 2.466 60.629 58.200 -0.062 0.000 1.068 114 S CB -0.567 62.646 63.200 0.022 0.000 0.918 114 S HN 0.459 nan 8.310 nan 0.000 0.448 115 I N 0.924 121.442 120.570 -0.087 0.000 2.252 115 I HA -0.124 4.046 4.170 0.000 0.000 0.245 115 I C 2.737 178.770 176.117 -0.141 0.000 1.102 115 I CA 1.611 62.864 61.300 -0.078 0.000 1.385 115 I CB -0.503 37.472 38.000 -0.042 0.000 1.064 115 I HN 0.472 nan 8.210 nan 0.000 0.414 116 E N 1.457 121.532 120.200 -0.208 0.000 2.051 116 E HA -0.255 4.095 4.350 0.000 0.000 0.192 116 E C 2.303 178.649 176.600 -0.422 0.000 0.991 116 E CA 1.482 57.720 56.400 -0.269 0.000 0.799 116 E CB -0.010 29.544 29.700 -0.243 0.000 0.748 116 E HN 0.469 nan 8.360 nan 0.000 0.449 117 A N 1.491 123.946 122.820 -0.608 0.000 1.877 117 A HA -0.210 4.110 4.320 0.000 0.000 0.216 117 A C 1.837 179.267 177.584 -0.257 0.000 1.186 117 A CA 1.876 53.575 52.037 -0.564 0.000 0.620 117 A CB -0.603 18.116 19.000 -0.469 0.000 0.822 117 A HN 0.276 nan 8.150 nan 0.000 0.443 118 D N -0.401 119.925 120.400 -0.123 0.000 2.265 118 D HA -0.101 4.539 4.640 0.000 0.000 0.208 118 D C 1.642 177.999 176.300 0.095 0.000 0.977 118 D CA 1.165 55.199 54.000 0.057 0.000 0.871 118 D CB -0.104 40.745 40.800 0.081 0.000 0.925 118 D HN 0.545 nan 8.370 nan 0.000 0.485 119 K N -0.079 120.287 120.400 -0.056 0.000 2.361 119 K HA 0.051 4.372 4.320 0.000 0.000 0.194 119 K C 1.631 178.167 176.600 -0.106 0.000 1.032 119 K CA 0.192 56.447 56.287 -0.052 0.000 1.048 119 K CB 0.562 33.016 32.500 -0.078 0.000 0.842 119 K HN 0.132 nan 8.250 nan 0.000 0.526 120 K N -0.491 119.743 120.400 -0.276 0.000 2.402 120 K HA 0.178 4.498 4.320 0.000 0.000 0.204 120 K C -0.344 176.050 176.600 -0.344 0.000 1.056 120 K CA -0.222 55.847 56.287 -0.364 0.000 1.069 120 K CB 0.444 32.624 32.500 -0.533 0.000 0.888 120 K HN -0.207 nan 8.250 nan 0.000 0.546 121 F N 2.033 121.994 119.950 0.018 0.000 2.522 121 F HA 0.402 4.929 4.527 0.000 0.000 0.324 121 F C 0.121 175.954 175.800 0.056 0.000 1.077 121 F CA -1.798 56.199 58.000 -0.005 0.000 0.944 121 F CB 1.662 40.608 39.000 -0.090 0.000 1.175 121 F HN -0.225 nan 8.300 nan 0.000 0.468 122 K N 1.608 122.177 120.400 0.283 0.000 2.379 122 K HA 0.193 4.513 4.320 0.000 0.000 0.284 122 K C -1.544 175.167 176.600 0.184 0.000 1.044 122 K CA 0.128 56.552 56.287 0.227 0.000 0.974 122 K CB -0.062 32.523 32.500 0.142 0.000 0.962 122 K HN 0.373 nan 8.250 nan 0.000 0.474 123 Y N 2.219 122.560 120.300 0.068 0.000 2.335 123 Y HA 0.364 4.914 4.550 0.000 0.000 0.331 123 Y C 0.432 176.357 175.900 0.042 0.000 1.094 123 Y CA 0.060 58.193 58.100 0.056 0.000 1.253 123 Y CB 1.464 39.951 38.460 0.046 0.000 1.203 123 Y HN 0.599 nan 8.280 nan 0.000 0.508 124 S N 2.478 118.251 115.700 0.122 0.000 2.563 124 S HA 0.612 5.082 4.470 0.000 0.000 0.279 124 S C -1.813 172.838 174.600 0.084 0.000 1.155 124 S CA -0.669 57.587 58.200 0.093 0.000 0.928 124 S CB 0.653 63.890 63.200 0.060 0.000 1.107 124 S HN 0.354 nan 8.310 nan 0.000 0.462 125 V N 5.250 125.226 119.914 0.103 0.000 2.630 125 V HA 0.688 4.808 4.120 0.000 0.000 0.305 125 V C -0.511 175.677 176.094 0.156 0.000 1.046 125 V CA -0.655 61.738 62.300 0.155 0.000 0.934 125 V CB 1.999 33.892 31.823 0.116 0.000 1.003 125 V HN 0.886 nan 8.190 nan 0.000 0.451 126 K N 4.166 124.703 120.400 0.227 0.000 2.378 126 K HA 0.502 4.822 4.320 0.000 0.000 0.252 126 K C 0.581 177.340 176.600 0.265 0.000 0.931 126 K CA -0.761 55.632 56.287 0.177 0.000 0.794 126 K CB 2.212 34.773 32.500 0.101 0.000 1.181 126 K HN 0.432 nan 8.250 nan 0.000 0.425 127 L N 1.821 123.169 121.223 0.209 0.000 2.089 127 L HA -0.269 4.071 4.340 0.000 0.000 0.213 127 L C 2.072 179.079 176.870 0.229 0.000 1.079 127 L CA 2.593 57.575 54.840 0.237 0.000 0.758 127 L CB -0.452 41.709 42.059 0.171 0.000 0.891 127 L HN 1.022 nan 8.230 nan 0.000 0.433 128 S N -1.696 114.089 115.700 0.141 0.000 2.465 128 S HA -0.176 4.294 4.470 0.000 0.000 0.241 128 S C 1.271 175.880 174.600 0.015 0.000 1.000 128 S CA 1.256 59.506 58.200 0.083 0.000 0.964 128 S CB -0.329 62.901 63.200 0.049 0.000 0.763 128 S HN 0.459 nan 8.310 nan 0.000 0.512 129 D N -0.071 120.297 120.400 -0.052 0.000 2.354 129 D HA 0.217 4.857 4.640 0.000 0.000 0.209 129 D C -0.508 175.415 176.300 -0.628 0.000 1.015 129 D CA 0.429 54.205 54.000 -0.374 0.000 0.867 129 D CB 0.150 40.584 40.800 -0.610 0.000 0.933 129 D HN 0.504 nan 8.370 nan 0.000 0.520 130 Y N -0.469 119.866 120.300 0.059 0.000 2.536 130 Y HA 0.293 4.843 4.550 0.000 0.000 0.347 130 Y C -1.469 174.491 175.900 0.100 0.000 1.000 130 Y CA -1.999 56.139 58.100 0.064 0.000 1.051 130 Y CB 1.544 40.032 38.460 0.047 0.000 1.259 130 Y HN -0.281 nan 8.280 nan 0.000 0.468 131 P HA -0.027 nan 4.420 nan 0.000 0.221 131 P C 0.163 177.643 177.300 0.300 0.000 1.155 131 P CA 1.081 64.309 63.100 0.214 0.000 0.812 131 P CB 0.581 32.371 31.700 0.149 0.000 0.801 132 T N -4.147 110.581 114.554 0.290 0.000 2.916 132 T HA 0.360 4.710 4.350 0.000 0.000 0.292 132 T C 0.919 175.685 174.700 0.111 0.000 1.055 132 T CA -0.856 61.446 62.100 0.336 0.000 1.009 132 T CB 1.456 70.470 68.868 0.243 0.000 1.118 132 T HN -0.169 nan 8.240 nan 0.000 0.497 133 L N 0.518 121.669 121.223 -0.121 0.000 2.079 133 L HA -0.108 4.233 4.340 0.000 0.000 0.210 133 L C 2.821 179.525 176.870 -0.278 0.000 1.081 133 L CA 1.758 56.372 54.840 -0.377 0.000 0.752 133 L CB -0.315 41.384 42.059 -0.600 0.000 0.896 133 L HN 0.868 nan 8.230 nan 0.000 0.433 134 Q N 0.052 119.730 119.800 -0.203 0.000 2.124 134 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 134 Q C 1.708 177.578 176.000 -0.217 0.000 0.977 134 Q CA 1.866 57.523 55.803 -0.243 0.000 0.850 134 Q CB -0.115 28.535 28.738 -0.147 0.000 0.901 134 Q HN 0.449 nan 8.270 nan 0.000 0.429 135 D N -0.478 119.841 120.400 -0.136 0.000 2.144 135 D HA -0.110 4.530 4.640 0.000 0.000 0.200 135 D C 1.559 177.583 176.300 -0.459 0.000 0.978 135 D CA 1.369 55.286 54.000 -0.138 0.000 0.833 135 D CB -0.169 40.674 40.800 0.073 0.000 0.961 135 D HN 0.402 nan 8.370 nan 0.000 0.470 136 A N 1.244 123.735 122.820 -0.549 0.000 1.898 136 A HA -0.015 4.305 4.320 0.000 0.000 0.216 136 A C 2.346 179.658 177.584 -0.453 0.000 1.181 136 A CA 2.038 53.596 52.037 -0.798 0.000 0.620 136 A CB -0.644 18.139 19.000 -0.363 0.000 0.819 136 A HN 0.226 nan 8.150 nan 0.000 0.442 137 A N -0.499 122.119 122.820 -0.336 0.000 1.902 137 A HA -0.089 4.231 4.320 0.000 0.000 0.217 137 A C 2.434 179.893 177.584 -0.207 0.000 1.181 137 A CA 2.128 54.001 52.037 -0.273 0.000 0.623 137 A CB -0.891 17.726 19.000 -0.637 0.000 0.818 137 A HN 0.447 nan 8.150 nan 0.000 0.443 138 S N -0.334 115.227 115.700 -0.232 0.000 2.399 138 S HA 0.011 4.481 4.470 0.000 0.000 0.231 138 S C 2.153 176.686 174.600 -0.112 0.000 1.022 138 S CA 1.067 59.178 58.200 -0.148 0.000 0.983 138 S CB -0.321 62.804 63.200 -0.125 0.000 0.803 138 S HN 0.786 nan 8.310 nan 0.000 0.480 139 A N 1.225 123.939 122.820 -0.177 0.000 2.067 139 A HA 0.525 4.845 4.320 0.000 0.000 0.217 139 A C 1.200 178.758 177.584 -0.043 0.000 1.156 139 A CA 0.580 52.551 52.037 -0.109 0.000 0.683 139 A CB -0.561 18.314 19.000 -0.208 0.000 0.808 139 A HN 0.481 nan 8.150 nan 0.000 0.455 140 A N -0.519 122.261 122.820 -0.066 0.000 2.483 140 A HA 0.413 4.733 4.320 0.000 0.000 0.238 140 A C 1.056 178.658 177.584 0.030 0.000 1.070 140 A CA 0.580 52.619 52.037 0.004 0.000 0.770 140 A CB 0.550 19.558 19.000 0.012 0.000 1.008 140 A HN 1.260 nan 8.150 nan 0.000 0.497 141 V N -0.230 119.717 119.914 0.055 0.000 3.229 141 V HA 0.188 4.309 4.120 0.000 0.000 0.239 141 V C 0.735 176.834 176.094 0.008 0.000 1.390 141 V CA 1.686 64.000 62.300 0.022 0.000 1.231 141 V CB 0.433 32.259 31.823 0.004 0.000 1.025 141 V HN 0.958 nan 8.190 nan 0.000 0.461 142 D N 0.319 120.748 120.400 0.048 0.000 3.045 142 D HA 0.297 4.937 4.640 0.000 0.000 0.196 142 D C 1.058 177.382 176.300 0.040 0.000 1.520 142 D CA 1.127 55.150 54.000 0.038 0.000 1.466 142 D CB 0.638 41.479 40.800 0.068 0.000 1.152 142 D HN 0.517 nan 8.370 nan 0.000 0.254 143 G N 0.389 109.230 108.800 0.068 0.000 2.462 143 G HA2 0.544 4.504 3.960 0.000 0.000 0.319 143 G HA3 0.544 4.504 3.960 0.000 0.000 0.319 143 G C -1.362 173.568 174.900 0.050 0.000 1.171 143 G CA -0.224 44.905 45.100 0.049 0.000 0.920 143 G HN 0.272 nan 8.290 nan 0.000 0.499 144 L N 0.985 122.231 121.223 0.039 0.000 2.482 144 L HA 0.572 4.913 4.340 0.000 0.000 0.269 144 L C -1.385 175.520 176.870 0.057 0.000 0.967 144 L CA -0.859 54.010 54.840 0.048 0.000 0.851 144 L CB 1.829 43.913 42.059 0.041 0.000 1.242 144 L HN 0.439 nan 8.230 nan 0.000 0.404 145 L N 6.234 127.496 121.223 0.066 0.000 2.272 145 L HA 0.585 4.925 4.340 0.000 0.000 0.289 145 L C -0.800 176.112 176.870 0.070 0.000 1.032 145 L CA -0.153 54.723 54.840 0.060 0.000 0.810 145 L CB 1.036 43.126 42.059 0.051 0.000 1.205 145 L HN 0.466 nan 8.230 nan 0.000 0.422 146 I N 5.815 126.417 120.570 0.054 0.000 2.256 146 I HA 0.180 4.350 4.170 0.000 0.000 0.294 146 I C 0.367 176.489 176.117 0.009 0.000 1.127 146 I CA -0.099 61.221 61.300 0.033 0.000 1.247 146 I CB 0.207 38.176 38.000 -0.050 0.000 1.460 146 I HN 0.668 nan 8.210 nan 0.000 0.511 147 D N 5.527 125.951 120.400 0.040 0.000 2.369 147 D HA 0.040 4.680 4.640 0.000 0.000 0.211 147 D C 0.491 176.811 176.300 0.033 0.000 1.077 147 D CA -0.168 53.849 54.000 0.028 0.000 0.842 147 D CB 0.501 41.322 40.800 0.034 0.000 0.947 147 D HN 0.573 nan 8.370 nan 0.000 0.509 148 R N -0.698 119.836 120.500 0.057 0.000 2.668 148 R HA 0.417 4.757 4.340 0.000 0.000 0.272 148 R C -1.466 174.898 176.300 0.108 0.000 1.019 148 R CA -0.813 55.331 56.100 0.073 0.000 0.894 148 R CB 0.713 31.071 30.300 0.097 0.000 1.228 148 R HN -0.375 nan 8.270 nan 0.000 0.460 149 D N 1.580 122.035 120.400 0.091 0.000 2.488 149 D HA -0.023 4.618 4.640 0.000 0.000 0.238 149 D C -1.095 175.359 176.300 0.257 0.000 1.138 149 D CA 0.832 54.910 54.000 0.130 0.000 0.873 149 D CB 0.396 41.244 40.800 0.080 0.000 1.183 149 D HN 0.424 nan 8.370 nan 0.000 0.458 150 Y N 2.106 122.537 120.300 0.218 0.000 2.338 150 Y HA 0.215 4.765 4.550 0.000 0.000 0.333 150 Y C -0.613 175.484 175.900 0.328 0.000 0.968 150 Y CA -0.911 57.375 58.100 0.310 0.000 1.123 150 Y CB 0.970 39.724 38.460 0.489 0.000 1.165 150 Y HN 0.197 nan 8.280 nan 0.000 0.452 151 N N 7.494 126.087 118.700 -0.177 0.000 2.414 151 N HA 0.197 4.938 4.740 0.000 0.000 0.256 151 N C -1.108 174.226 175.510 -0.293 0.000 1.029 151 N CA -0.046 52.892 53.050 -0.187 0.000 0.948 151 N CB 0.844 39.221 38.487 -0.182 0.000 1.102 151 N HN 0.532 nan 8.380 nan 0.000 0.496 152 F N 0.886 120.793 119.950 -0.072 0.000 2.483 152 F HA 0.608 5.135 4.527 0.000 0.000 0.329 152 F C -0.237 175.552 175.800 -0.018 0.000 1.064 152 F CA -1.537 56.427 58.000 -0.060 0.000 0.986 152 F CB 0.404 39.409 39.000 0.008 0.000 1.218 152 F HN 0.317 nan 8.300 nan 0.000 0.484 153 Y N 0.123 120.529 120.300 0.177 0.000 2.387 153 Y HA 0.780 5.330 4.550 0.000 0.000 0.330 153 Y C 0.344 176.393 175.900 0.248 0.000 1.133 153 Y CA -2.085 56.062 58.100 0.079 0.000 1.152 153 Y CB 0.536 39.021 38.460 0.042 0.000 1.215 153 Y HN 1.021 nan 8.280 nan 0.000 0.466 154 G N 0.828 109.802 108.800 0.290 0.000 2.305 154 G HA2 0.369 4.329 3.960 0.000 0.000 0.243 154 G HA3 0.369 4.329 3.960 0.000 0.000 0.243 154 G C 0.910 175.924 174.900 0.190 0.000 1.288 154 G CA 0.091 45.330 45.100 0.231 0.000 0.901 154 G HN 1.926 nan 8.290 nan 0.000 0.516 155 G N 1.261 110.092 108.800 0.051 0.000 2.195 155 G HA2 -0.264 3.696 3.960 0.000 0.000 0.246 155 G HA3 -0.264 3.696 3.960 0.000 0.000 0.246 155 G C 0.437 175.292 174.900 -0.075 0.000 0.984 155 G CA 0.422 45.539 45.100 0.027 0.000 0.633 155 G HN 0.968 nan 8.290 nan 0.000 0.525 156 E N 1.588 121.557 120.200 -0.386 0.000 2.493 156 E HA 0.372 4.722 4.350 0.000 0.000 0.255 156 E C -0.123 176.317 176.600 -0.267 0.000 0.999 156 E CA 0.614 56.633 56.400 -0.635 0.000 0.934 156 E CB 0.173 29.282 29.700 -0.985 0.000 0.940 156 E HN 0.216 nan 8.360 nan 0.000 0.473 157 T N 3.600 118.072 114.554 -0.136 0.000 2.823 157 T HA 0.404 4.754 4.350 0.000 0.000 0.279 157 T C -0.732 173.902 174.700 -0.110 0.000 0.998 157 T CA -0.688 61.359 62.100 -0.088 0.000 0.994 157 T CB 1.501 70.343 68.868 -0.043 0.000 0.960 157 T HN 0.213 nan 8.240 nan 0.000 0.448 158 V N 3.008 122.843 119.914 -0.130 0.000 2.495 158 V HA 0.419 4.539 4.120 0.000 0.000 0.298 158 V C -0.427 175.418 176.094 -0.415 0.000 1.031 158 V CA -0.861 61.225 62.300 -0.356 0.000 0.871 158 V CB 1.869 33.344 31.823 -0.580 0.000 0.988 158 V HN 0.836 nan 8.190 nan 0.000 0.432 159 D N 3.141 123.283 120.400 -0.430 0.000 2.280 159 D HA 0.348 4.988 4.640 0.000 0.000 0.236 159 D C -0.017 176.026 176.300 -0.430 0.000 1.082 159 D CA -0.368 53.464 54.000 -0.280 0.000 0.834 159 D CB 1.373 42.084 40.800 -0.148 0.000 1.100 159 D HN 0.363 nan 8.370 nan 0.000 0.486 160 F N 1.487 121.366 119.950 -0.119 0.000 2.732 160 F HA 0.233 4.760 4.527 0.000 0.000 0.303 160 F C 2.141 177.890 175.800 -0.084 0.000 1.110 160 F CA 0.145 58.066 58.000 -0.131 0.000 1.355 160 F CB 0.219 39.123 39.000 -0.161 0.000 1.081 160 F HN 0.657 nan 8.300 nan 0.000 0.565 161 G N 0.437 109.266 108.800 0.049 0.000 2.212 161 G HA2 -0.176 3.784 3.960 0.000 0.000 0.267 161 G HA3 -0.176 3.784 3.960 0.000 0.000 0.267 161 G C 1.377 176.302 174.900 0.042 0.000 1.002 161 G CA 0.322 45.439 45.100 0.028 0.000 0.729 161 G HN 1.155 nan 8.290 nan 0.000 0.517 162 G N -1.468 107.372 108.800 0.066 0.000 2.159 162 G HA2 -0.294 3.666 3.960 0.000 0.000 0.256 162 G HA3 -0.294 3.666 3.960 0.000 0.000 0.256 162 G C 0.399 175.319 174.900 0.034 0.000 0.977 162 G CA 1.127 46.255 45.100 0.047 0.000 0.652 162 G HN 0.987 nan 8.290 nan 0.000 0.531 163 K N 0.028 120.453 120.400 0.042 0.000 2.326 163 K HA 0.441 4.762 4.320 0.000 0.000 0.275 163 K C 0.460 177.057 176.600 -0.006 0.000 1.018 163 K CA -0.343 55.955 56.287 0.019 0.000 0.962 163 K CB 1.552 34.071 32.500 0.031 0.000 0.953 163 K HN 0.023 nan 8.250 nan 0.000 0.475 164 V N 5.800 125.705 119.914 -0.017 0.000 2.339 164 V HA 0.198 4.318 4.120 0.000 0.000 0.261 164 V C -0.034 176.037 176.094 -0.039 0.000 1.058 164 V CA -0.341 61.942 62.300 -0.029 0.000 0.897 164 V CB -0.344 31.467 31.823 -0.019 0.000 1.052 164 V HN 0.536 nan 8.190 nan 0.000 0.480 165 L N 3.658 124.839 121.223 -0.071 0.000 2.303 165 L HA 0.700 5.041 4.340 0.000 0.000 0.266 165 L C 0.197 177.023 176.870 -0.073 0.000 1.011 165 L CA -0.517 54.281 54.840 -0.071 0.000 0.818 165 L CB 2.307 44.302 42.059 -0.106 0.000 1.326 165 L HN 0.374 nan 8.230 nan 0.000 0.435 166 T N 2.174 116.701 114.554 -0.045 0.000 2.842 166 T HA 0.538 4.888 4.350 0.000 0.000 0.308 166 T C -0.230 174.458 174.700 -0.020 0.000 1.041 166 T CA -0.215 61.864 62.100 -0.034 0.000 0.964 166 T CB 0.317 69.173 68.868 -0.019 0.000 0.972 166 T HN 0.232 nan 8.240 nan 0.000 0.460 167 I N 3.025 123.582 120.570 -0.021 0.000 2.304 167 I HA 0.314 4.484 4.170 0.000 0.000 0.291 167 I C 0.542 176.690 176.117 0.052 0.000 1.018 167 I CA -0.521 60.791 61.300 0.021 0.000 1.260 167 I CB 1.029 39.048 38.000 0.032 0.000 1.390 167 I HN 0.532 nan 8.210 nan 0.000 0.475 168 E N 6.283 126.513 120.200 0.051 0.000 2.113 168 E HA 0.377 4.727 4.350 0.000 0.000 0.273 168 E C -1.419 175.210 176.600 0.049 0.000 0.924 168 E CA -0.647 55.781 56.400 0.046 0.000 0.764 168 E CB 1.105 30.824 29.700 0.032 0.000 1.104 168 E HN 0.630 nan 8.360 nan 0.000 0.406 169 C N 4.963 124.293 119.300 0.050 0.000 2.273 169 C HA 0.387 4.847 4.460 0.000 0.000 0.328 169 C C 0.703 175.694 174.990 0.002 0.000 1.275 169 C CA -0.635 58.387 59.018 0.008 0.000 1.704 169 C CB 0.202 27.947 27.740 0.008 0.000 2.326 169 C HN 0.802 nan 8.230 nan 0.000 0.517 170 K N 1.280 121.666 120.400 -0.024 0.000 2.536 170 K HA 0.482 4.802 4.320 0.000 0.000 0.203 170 K C 0.123 176.693 176.600 -0.050 0.000 1.063 170 K CA 0.084 56.358 56.287 -0.022 0.000 1.063 170 K CB 0.836 33.332 32.500 -0.008 0.000 0.843 170 K HN 0.786 nan 8.250 nan 0.000 0.521 171 A N 1.433 124.203 122.820 -0.084 0.000 2.529 171 A HA 0.591 4.911 4.320 0.000 0.000 0.296 171 A C -1.554 175.943 177.584 -0.144 0.000 1.205 171 A CA -0.887 51.090 52.037 -0.099 0.000 0.671 171 A CB 1.175 20.137 19.000 -0.062 0.000 1.301 171 A HN 0.127 nan 8.150 nan 0.000 0.450 172 K N -0.443 119.901 120.400 -0.092 0.000 2.281 172 K HA 0.777 5.097 4.320 0.000 0.000 0.242 172 K C -1.756 174.887 176.600 0.073 0.000 0.971 172 K CA -0.511 55.774 56.287 -0.004 0.000 0.834 172 K CB 1.469 34.068 32.500 0.166 0.000 1.181 172 K HN 0.287 nan 8.250 nan 0.000 0.435 173 F N 1.754 121.908 119.950 0.341 0.000 2.385 173 F HA 0.429 4.956 4.527 0.000 0.000 0.360 173 F C -0.001 176.053 175.800 0.423 0.000 1.122 173 F CA -1.070 57.187 58.000 0.428 0.000 1.090 173 F CB 0.801 40.015 39.000 0.357 0.000 1.150 173 F HN 0.287 nan 8.300 nan 0.000 0.472 174 I N 2.696 123.545 120.570 0.465 0.000 2.404 174 I HA 0.837 5.007 4.170 0.000 0.000 0.293 174 I C 0.260 176.118 176.117 -0.431 0.000 0.992 174 I CA -0.532 60.837 61.300 0.115 0.000 1.149 174 I CB 1.751 39.790 38.000 0.064 0.000 1.315 174 I HN 0.680 nan 8.210 nan 0.000 0.446 175 G N 3.940 112.401 108.800 -0.565 0.000 2.358 175 G HA2 0.165 4.125 3.960 0.000 0.000 0.303 175 G HA3 0.165 4.125 3.960 0.000 0.000 0.303 175 G C -2.176 172.445 174.900 -0.465 0.000 1.537 175 G CA -0.866 43.659 45.100 -0.958 0.000 0.928 175 G HN 0.411 nan 8.290 nan 0.000 0.656 176 D N 0.044 120.287 120.400 -0.262 0.000 2.175 176 D HA 0.718 5.358 4.640 0.000 0.000 0.248 176 D C 0.908 177.231 176.300 0.039 0.000 1.047 176 D CA 1.463 55.430 54.000 -0.055 0.000 0.883 176 D CB 1.549 42.327 40.800 -0.037 0.000 1.180 176 D HN 1.593 nan 8.370 nan 0.000 0.438 177 G N 1.842 110.705 108.800 0.105 0.000 2.549 177 G HA2 -0.157 3.803 3.960 0.000 0.000 0.404 177 G HA3 -0.157 3.803 3.960 0.000 0.000 0.404 177 G C -0.953 174.055 174.900 0.180 0.000 1.292 177 G CA -0.991 44.189 45.100 0.133 0.000 0.935 177 G HN 0.471 nan 8.290 nan 0.000 0.512 178 N N -0.669 118.067 118.700 0.059 0.000 2.443 178 N HA 0.635 5.375 4.740 0.000 0.000 0.295 178 N C -0.509 174.806 175.510 -0.326 0.000 1.076 178 N CA -0.502 52.461 53.050 -0.145 0.000 0.919 178 N CB 1.853 40.244 38.487 -0.160 0.000 1.176 178 N HN 0.746 nan 8.380 nan 0.000 0.487 179 L N 2.671 123.472 121.223 -0.703 0.000 2.295 179 L HA 0.567 4.907 4.340 0.000 0.000 0.281 179 L C -1.284 175.223 176.870 -0.605 0.000 1.018 179 L CA -0.351 53.953 54.840 -0.894 0.000 0.841 179 L CB 0.215 41.375 42.059 -1.498 0.000 1.218 179 L HN 0.509 nan 8.230 nan 0.000 0.424 180 I N 5.562 125.935 120.570 -0.328 0.000 2.315 180 I HA 0.283 4.453 4.170 0.000 0.000 0.291 180 I C -0.690 175.494 176.117 0.112 0.000 1.006 180 I CA -0.215 60.986 61.300 -0.166 0.000 1.265 180 I CB 0.617 38.552 38.000 -0.110 0.000 1.387 180 I HN 0.364 nan 8.210 nan 0.000 0.475 181 F N 4.468 124.363 119.950 -0.092 0.000 2.415 181 F HA 0.508 5.036 4.527 0.000 0.000 0.348 181 F C 0.697 176.558 175.800 0.101 0.000 1.119 181 F CA -1.100 56.964 58.000 0.107 0.000 1.069 181 F CB 1.684 40.752 39.000 0.114 0.000 1.124 181 F HN 0.408 nan 8.300 nan 0.000 0.472 182 T N -0.662 114.086 114.554 0.323 0.000 2.901 182 T HA 0.450 4.800 4.350 0.000 0.000 0.293 182 T C -0.375 174.462 174.700 0.229 0.000 1.084 182 T CA -1.134 61.084 62.100 0.198 0.000 1.008 182 T CB 2.018 70.940 68.868 0.090 0.000 1.170 182 T HN 0.539 nan 8.240 nan 0.000 0.509 183 K N 0.117 120.606 120.400 0.149 0.000 3.148 183 K HA -0.146 4.174 4.320 0.000 0.000 0.267 183 K C -0.746 175.945 176.600 0.152 0.000 0.996 183 K CA -0.059 56.304 56.287 0.127 0.000 0.737 183 K CB -1.361 31.194 32.500 0.092 0.000 1.308 183 K HN 0.415 nan 8.250 nan 0.000 0.470 184 L N 0.776 122.065 121.223 0.108 0.000 2.312 184 L HA 0.380 4.720 4.340 0.000 0.000 0.281 184 L C 1.115 177.997 176.870 0.020 0.000 1.070 184 L CA 0.359 55.195 54.840 -0.006 0.000 0.805 184 L CB 1.040 43.029 42.059 -0.118 0.000 1.174 184 L HN 0.262 nan 8.230 nan 0.000 0.434 185 G N 3.013 111.814 108.800 0.001 0.000 2.527 185 G HA2 0.093 4.053 3.960 0.000 0.000 0.248 185 G HA3 0.093 4.053 3.960 0.000 0.000 0.248 185 G C -0.280 174.632 174.900 0.021 0.000 1.231 185 G CA -0.576 44.533 45.100 0.015 0.000 0.838 185 G HN 0.699 nan 8.290 nan 0.000 0.570 186 K N 0.459 120.878 120.400 0.032 0.000 2.472 186 K HA 0.323 4.643 4.320 0.000 0.000 0.280 186 K C 1.271 177.885 176.600 0.023 0.000 1.028 186 K CA 1.100 57.411 56.287 0.040 0.000 1.045 186 K CB -0.017 32.500 32.500 0.028 0.000 0.902 186 K HN 1.053 nan 8.250 nan 0.000 0.478 187 G N 2.173 110.994 108.800 0.035 0.000 2.201 187 G HA2 -0.215 3.745 3.960 0.000 0.000 0.212 187 G HA3 -0.215 3.745 3.960 0.000 0.000 0.212 187 G C -0.068 174.839 174.900 0.013 0.000 0.994 187 G CA -0.030 45.083 45.100 0.021 0.000 0.644 187 G HN 0.611 nan 8.290 nan 0.000 0.508 188 S N 1.262 116.967 115.700 0.008 0.000 2.562 188 S HA 0.539 5.009 4.470 0.000 0.000 0.281 188 S C 0.544 175.149 174.600 0.008 0.000 1.333 188 S CA 0.494 58.681 58.200 -0.021 0.000 1.052 188 S CB 0.520 63.679 63.200 -0.068 0.000 0.884 188 S HN 0.822 nan 8.310 nan 0.000 0.506 189 R N 1.711 122.201 120.500 -0.017 0.000 2.621 189 R HA 0.657 4.997 4.340 0.000 0.000 0.284 189 R C -1.658 174.647 176.300 0.009 0.000 0.998 189 R CA -0.746 55.358 56.100 0.005 0.000 0.895 189 R CB 0.809 31.062 30.300 -0.078 0.000 1.195 189 R HN 0.454 nan 8.270 nan 0.000 0.450 190 I N 2.043 122.662 120.570 0.082 0.000 2.406 190 I HA 0.594 4.764 4.170 0.000 0.000 0.290 190 I C -0.412 175.788 176.117 0.139 0.000 0.999 190 I CA -0.882 60.490 61.300 0.121 0.000 1.124 190 I CB 2.076 40.196 38.000 0.200 0.000 1.289 190 I HN 0.840 nan 8.210 nan 0.000 0.441 191 A N 3.912 126.798 122.820 0.111 0.000 2.371 191 A HA 0.745 5.065 4.320 0.000 0.000 0.311 191 A C 0.602 178.259 177.584 0.121 0.000 1.068 191 A CA -0.016 52.093 52.037 0.120 0.000 0.744 191 A CB 1.405 20.441 19.000 0.060 0.000 1.239 191 A HN 1.160 nan 8.150 nan 0.000 0.435 192 G N 0.634 109.515 108.800 0.134 0.000 2.143 192 G HA2 -0.085 3.875 3.960 0.000 0.000 0.248 192 G HA3 -0.085 3.875 3.960 0.000 0.000 0.248 192 G C 0.399 175.401 174.900 0.170 0.000 0.991 192 G CA 0.250 45.432 45.100 0.136 0.000 0.689 192 G HN 2.058 nan 8.290 nan 0.000 0.522 193 V N -1.835 118.198 119.914 0.199 0.000 2.694 193 V HA 0.500 4.620 4.120 0.000 0.000 0.306 193 V C 0.379 176.671 176.094 0.329 0.000 1.054 193 V CA -0.053 62.403 62.300 0.259 0.000 1.161 193 V CB 0.863 32.910 31.823 0.372 0.000 0.916 193 V HN 0.572 nan 8.190 nan 0.000 0.490 194 F N 5.775 125.807 119.950 0.137 0.000 2.496 194 F HA 0.693 5.220 4.527 0.000 0.000 0.341 194 F C -0.234 175.679 175.800 0.188 0.000 1.134 194 F CA -0.967 57.129 58.000 0.160 0.000 0.968 194 F CB 1.669 40.718 39.000 0.083 0.000 1.205 194 F HN 0.418 nan 8.300 nan 0.000 0.436 195 M N 4.867 124.481 119.600 0.022 0.000 2.209 195 M HA 0.373 4.853 4.480 0.000 0.000 0.355 195 M C -0.720 175.602 176.300 0.037 0.000 1.171 195 M CA -0.213 55.138 55.300 0.085 0.000 1.069 195 M CB 1.361 33.877 32.600 -0.140 0.000 1.622 195 M HN 0.660 nan 8.290 nan 0.000 0.459 196 E N 1.651 121.973 120.200 0.203 0.000 2.278 196 E HA 0.389 4.739 4.350 0.000 0.000 0.272 196 E C -0.798 175.867 176.600 0.107 0.000 0.890 196 E CA -0.340 56.162 56.400 0.169 0.000 0.770 196 E CB 1.747 31.630 29.700 0.306 0.000 1.212 196 E HN 0.780 nan 8.360 nan 0.000 0.415 197 S N 2.327 118.061 115.700 0.057 0.000 2.589 197 S HA 0.015 4.485 4.470 0.000 0.000 0.265 197 S C 0.928 175.520 174.600 -0.013 0.000 1.342 197 S CA 0.141 58.347 58.200 0.009 0.000 1.005 197 S CB 1.523 64.728 63.200 0.008 0.000 0.909 197 S HN 0.584 nan 8.310 nan 0.000 0.555 198 T N 0.352 114.871 114.554 -0.058 0.000 3.044 198 T HA 0.162 4.512 4.350 0.000 0.000 0.255 198 T C 0.529 175.204 174.700 -0.042 0.000 1.073 198 T CA 0.570 62.634 62.100 -0.060 0.000 1.125 198 T CB -0.446 68.360 68.868 -0.102 0.000 0.908 198 T HN 0.746 nan 8.240 nan 0.000 0.480 199 T N 2.194 116.727 114.554 -0.036 0.000 2.882 199 T HA 0.398 4.748 4.350 0.000 0.000 0.287 199 T C -0.361 174.315 174.700 -0.040 0.000 0.992 199 T CA -0.195 61.885 62.100 -0.034 0.000 1.076 199 T CB 1.408 70.264 68.868 -0.020 0.000 0.961 199 T HN 0.021 nan 8.240 nan 0.000 0.490 200 T N 6.388 120.900 114.554 -0.070 0.000 2.929 200 T HA 0.360 4.711 4.350 0.000 0.000 0.331 200 T C -1.990 172.612 174.700 -0.163 0.000 1.120 200 T CA -1.091 60.944 62.100 -0.108 0.000 0.973 200 T CB 0.680 69.466 68.868 -0.136 0.000 1.036 200 T HN 0.431 nan 8.240 nan 0.000 0.502 201 P HA 0.266 nan 4.420 nan 0.000 0.279 201 P C -0.772 176.416 177.300 -0.187 0.000 1.282 201 P CA -0.806 62.242 63.100 -0.086 0.000 0.788 201 P CB 1.079 32.793 31.700 0.024 0.000 1.139 202 W N 0.320 121.611 121.300 -0.016 0.000 2.338 202 W HA 0.402 5.062 4.660 0.000 0.000 0.307 202 W C 0.032 176.519 176.519 -0.054 0.000 1.167 202 W CA -0.067 57.256 57.345 -0.037 0.000 1.208 202 W CB 1.071 30.511 29.460 -0.033 0.000 1.228 202 W HN 0.119 nan 8.180 nan 0.000 0.499 203 V N 3.877 123.868 119.914 0.127 0.000 2.769 203 V HA 0.694 4.814 4.120 0.000 0.000 0.312 203 V C -0.232 175.813 176.094 -0.081 0.000 1.061 203 V CA -1.478 60.820 62.300 -0.005 0.000 0.931 203 V CB 1.321 33.113 31.823 -0.051 0.000 1.010 203 V HN 0.494 nan 8.190 nan 0.000 0.433 204 I N 0.216 120.640 120.570 -0.244 0.000 2.676 204 I HA 0.694 4.864 4.170 0.000 0.000 0.309 204 I C -0.206 175.692 176.117 -0.365 0.000 0.990 204 I CA -0.792 60.326 61.300 -0.302 0.000 1.168 204 I CB 1.776 39.556 38.000 -0.366 0.000 1.343 204 I HN 0.806 nan 8.210 nan 0.000 0.482 205 K N 4.562 124.729 120.400 -0.389 0.000 2.752 205 K HA 0.436 4.756 4.320 0.000 0.000 0.199 205 K C -2.473 173.822 176.600 -0.509 0.000 1.069 205 K CA -1.490 54.401 56.287 -0.659 0.000 1.033 205 K CB 1.299 33.271 32.500 -0.880 0.000 1.229 205 K HN 0.350 nan 8.250 nan 0.000 0.572 206 P HA -0.000 nan 4.420 nan 0.000 0.286 206 P C -1.516 176.100 177.300 0.527 0.000 1.577 206 P CA 0.257 63.506 63.100 0.247 0.000 0.805 206 P CB -0.609 31.405 31.700 0.523 0.000 1.706 207 W N -3.237 118.120 121.300 0.095 0.000 3.167 207 W HA 0.658 5.318 4.660 0.000 0.000 0.324 207 W C -0.951 175.553 176.519 -0.025 0.000 1.230 207 W CA -0.978 56.361 57.345 -0.011 0.000 1.184 207 W CB 0.336 29.646 29.460 -0.249 0.000 1.414 207 W HN -0.409 nan 8.180 nan 0.000 0.551 208 T N 0.555 115.191 114.554 0.137 0.000 2.884 208 T HA 0.133 4.483 4.350 0.000 0.000 0.277 208 T C 0.858 175.605 174.700 0.079 0.000 0.976 208 T CA -0.185 61.939 62.100 0.040 0.000 0.956 208 T CB 0.741 69.640 68.868 0.052 0.000 1.113 208 T HN 0.576 nan 8.240 nan 0.000 0.554 209 D N 0.725 121.143 120.400 0.031 0.000 2.351 209 D HA -0.073 4.567 4.640 0.000 0.000 0.216 209 D C 0.447 176.774 176.300 0.046 0.000 0.968 209 D CA 0.906 54.929 54.000 0.040 0.000 0.899 209 D CB 0.201 41.009 40.800 0.013 0.000 0.907 209 D HN 0.496 nan 8.370 nan 0.000 0.514 210 D N 0.305 120.732 120.400 0.044 0.000 2.363 210 D HA -0.029 4.611 4.640 0.000 0.000 0.214 210 D C 0.474 176.781 176.300 0.012 0.000 1.093 210 D CA -0.100 53.916 54.000 0.027 0.000 0.837 210 D CB 0.167 40.984 40.800 0.029 0.000 0.948 210 D HN -0.015 nan 8.370 nan 0.000 0.507 211 N N 1.344 120.062 118.700 0.030 0.000 2.776 211 N HA -0.201 4.539 4.740 0.000 0.000 0.250 211 N C -0.655 174.790 175.510 -0.108 0.000 1.112 211 N CA 0.483 53.489 53.050 -0.074 0.000 0.733 211 N CB -1.117 37.238 38.487 -0.220 0.000 1.097 211 N HN 0.307 nan 8.380 nan 0.000 0.558 212 Q N -0.582 119.229 119.800 0.019 0.000 2.235 212 Q HA 0.226 4.566 4.340 0.000 0.000 0.250 212 Q C -0.239 175.859 176.000 0.163 0.000 0.909 212 Q CA -0.495 55.355 55.803 0.077 0.000 0.910 212 Q CB 0.608 29.412 28.738 0.111 0.000 1.223 212 Q HN 0.275 nan 8.270 nan 0.000 0.432 213 W N 2.563 123.985 121.300 0.204 0.000 2.190 213 W HA 0.215 4.875 4.660 0.000 0.000 0.330 213 W C -0.299 176.353 176.519 0.221 0.000 1.299 213 W CA -0.340 57.160 57.345 0.259 0.000 1.215 213 W CB 0.490 30.100 29.460 0.249 0.000 1.147 213 W HN 0.349 nan 8.180 nan 0.000 0.563 214 L N 3.087 124.639 121.223 0.550 0.000 2.295 214 L HA 0.355 4.695 4.340 0.000 0.000 0.285 214 L C 1.025 178.146 176.870 0.418 0.000 1.035 214 L CA -0.316 54.723 54.840 0.331 0.000 0.806 214 L CB 1.515 43.675 42.059 0.168 0.000 1.214 214 L HN 0.599 nan 8.230 nan 0.000 0.426 215 T N -3.498 111.265 114.554 0.348 0.000 3.003 215 T HA 0.073 4.423 4.350 0.000 0.000 0.261 215 T C 0.151 175.051 174.700 0.333 0.000 1.003 215 T CA -0.402 61.949 62.100 0.419 0.000 0.917 215 T CB 0.039 69.109 68.868 0.336 0.000 1.084 215 T HN 0.441 nan 8.240 nan 0.000 0.522 216 D N 1.309 121.828 120.400 0.198 0.000 2.295 216 D HA 0.616 5.256 4.640 0.000 0.000 0.248 216 D C 1.496 177.837 176.300 0.068 0.000 1.154 216 D CA 0.101 54.174 54.000 0.122 0.000 0.857 216 D CB 1.259 42.105 40.800 0.077 0.000 1.117 216 D HN 0.138 nan 8.370 nan 0.000 0.468 217 A N 4.224 127.095 122.820 0.084 0.000 1.903 217 A HA -0.198 4.123 4.320 0.000 0.000 0.219 217 A C 2.159 179.721 177.584 -0.037 0.000 1.191 217 A CA 2.259 54.314 52.037 0.030 0.000 0.638 217 A CB -1.072 17.964 19.000 0.060 0.000 0.823 217 A HN 0.716 nan 8.150 nan 0.000 0.451 218 A N -0.448 122.359 122.820 -0.021 0.000 1.877 218 A HA 0.167 4.487 4.320 0.000 0.000 0.216 218 A C 2.536 180.088 177.584 -0.053 0.000 1.186 218 A CA 2.216 54.230 52.037 -0.038 0.000 0.620 218 A CB -1.090 17.896 19.000 -0.023 0.000 0.822 218 A HN 1.197 nan 8.150 nan 0.000 0.443 219 A N -0.629 122.167 122.820 -0.040 0.000 1.933 219 A HA 0.013 4.333 4.320 0.000 0.000 0.218 219 A C 2.196 179.721 177.584 -0.098 0.000 1.175 219 A CA 1.808 53.816 52.037 -0.048 0.000 0.628 219 A CB -0.793 18.200 19.000 -0.012 0.000 0.814 219 A HN 0.398 nan 8.150 nan 0.000 0.444 220 V N -0.645 119.179 119.914 -0.150 0.000 2.379 220 V HA -0.180 3.940 4.120 0.000 0.000 0.245 220 V C 2.522 178.489 176.094 -0.210 0.000 1.044 220 V CA 1.722 63.868 62.300 -0.258 0.000 1.036 220 V CB -0.656 30.853 31.823 -0.525 0.000 0.664 220 V HN 0.355 nan 8.190 nan 0.000 0.453 221 V N 0.620 120.438 119.914 -0.159 0.000 2.407 221 V HA -0.251 3.869 4.120 0.000 0.000 0.248 221 V C 2.677 178.701 176.094 -0.117 0.000 1.055 221 V CA 1.941 64.162 62.300 -0.131 0.000 1.049 221 V CB -1.047 30.713 31.823 -0.106 0.000 0.662 221 V HN 0.565 nan 8.190 nan 0.000 0.455 222 A N 0.415 123.173 122.820 -0.103 0.000 2.178 222 A HA -0.181 4.139 4.320 0.000 0.000 0.218 222 A C 2.292 179.824 177.584 -0.088 0.000 1.157 222 A CA 1.954 53.940 52.037 -0.084 0.000 0.689 222 A CB -0.739 18.220 19.000 -0.069 0.000 0.787 222 A HN 0.664 nan 8.150 nan 0.000 0.465 223 T N -2.333 112.149 114.554 -0.120 0.000 3.129 223 T HA 0.310 4.660 4.350 0.000 0.000 0.251 223 T C 0.539 175.183 174.700 -0.093 0.000 1.117 223 T CA -0.282 61.735 62.100 -0.138 0.000 1.034 223 T CB -0.658 68.077 68.868 -0.221 0.000 0.968 223 T HN 0.247 nan 8.240 nan 0.000 0.526 224 L N 2.536 123.734 121.223 -0.042 0.000 2.578 224 L HA 0.193 4.533 4.340 0.000 0.000 0.279 224 L C 0.405 177.422 176.870 0.244 0.000 1.227 224 L CA 0.522 55.414 54.840 0.087 0.000 0.900 224 L CB 0.199 42.272 42.059 0.022 0.000 1.144 224 L HN 0.522 nan 8.230 nan 0.000 0.496 225 K N 2.851 123.436 120.400 0.309 0.000 2.597 225 K HA 0.370 4.690 4.320 0.000 0.000 0.282 225 K C -1.563 174.896 176.600 -0.234 0.000 0.975 225 K CA -1.054 55.292 56.287 0.100 0.000 0.867 225 K CB 1.315 33.795 32.500 -0.034 0.000 1.465 225 K HN 0.344 nan 8.250 nan 0.000 0.417 226 Q N 1.377 120.796 119.800 -0.635 0.000 2.322 226 Q HA 0.354 4.694 4.340 0.000 0.000 0.256 226 Q C -1.085 174.703 176.000 -0.354 0.000 0.960 226 Q CA -0.359 55.005 55.803 -0.732 0.000 0.934 226 Q CB 1.670 29.862 28.738 -0.910 0.000 1.200 226 Q HN 0.600 nan 8.270 nan 0.000 0.435 227 S N 1.688 117.241 115.700 -0.246 0.000 2.587 227 S HA 0.295 4.765 4.470 0.000 0.000 0.269 227 S C -0.577 173.967 174.600 -0.094 0.000 1.154 227 S CA -0.673 57.440 58.200 -0.145 0.000 0.824 227 S CB 1.219 64.346 63.200 -0.122 0.000 1.118 227 S HN 0.612 nan 8.310 nan 0.000 0.462 228 K N 0.941 121.312 120.400 -0.048 0.000 2.372 228 K HA 0.265 4.585 4.320 0.000 0.000 0.200 228 K C 0.241 176.853 176.600 0.020 0.000 1.022 228 K CA 0.077 56.362 56.287 -0.003 0.000 1.125 228 K CB 0.820 33.335 32.500 0.026 0.000 0.855 228 K HN 0.577 nan 8.250 nan 0.000 0.524 229 T N -1.122 113.416 114.554 -0.027 0.000 2.658 229 T HA 0.057 4.407 4.350 0.000 0.000 0.305 229 T C -1.471 173.078 174.700 -0.252 0.000 1.551 229 T CA -0.322 61.735 62.100 -0.072 0.000 0.985 229 T CB 1.073 69.983 68.868 0.070 0.000 1.731 229 T HN 0.165 nan 8.240 nan 0.000 0.486 230 D N -0.735 119.294 120.400 -0.618 0.000 2.772 230 D HA 0.034 4.674 4.640 0.000 0.000 0.233 230 D C -0.030 176.038 176.300 -0.386 0.000 1.143 230 D CA 2.880 56.551 54.000 -0.549 0.000 0.700 230 D CB -1.289 39.455 40.800 -0.094 0.000 1.076 230 D HN 1.173 nan 8.370 nan 0.000 0.430 231 G N -1.150 107.388 108.800 -0.437 0.000 2.317 231 G HA2 0.514 4.474 3.960 0.000 0.000 0.293 231 G HA3 0.514 4.474 3.960 0.000 0.000 0.293 231 G C -1.601 173.387 174.900 0.146 0.000 1.287 231 G CA -0.305 44.758 45.100 -0.063 0.000 0.850 231 G HN 0.762 nan 8.290 nan 0.000 0.515 232 Y N -1.627 118.728 120.300 0.092 0.000 2.581 232 Y HA 0.757 5.307 4.550 0.000 0.000 0.337 232 Y C -0.446 175.530 175.900 0.127 0.000 1.108 232 Y CA -1.357 56.823 58.100 0.133 0.000 1.033 232 Y CB 0.907 39.495 38.460 0.213 0.000 1.318 232 Y HN 0.613 nan 8.280 nan 0.000 0.459 233 Q N 4.458 124.406 119.800 0.246 0.000 2.271 233 Q HA 0.264 4.604 4.340 0.000 0.000 0.273 233 Q C -2.372 173.757 176.000 0.214 0.000 1.051 233 Q CA -1.808 54.095 55.803 0.167 0.000 0.901 233 Q CB 0.367 29.207 28.738 0.170 0.000 1.174 233 Q HN 0.384 nan 8.270 nan 0.000 0.385 234 P HA -0.086 nan 4.420 nan 0.000 0.266 234 P C -0.617 176.780 177.300 0.162 0.000 1.193 234 P CA 0.207 63.406 63.100 0.164 0.000 0.770 234 P CB 0.622 32.408 31.700 0.143 0.000 0.836 235 T N -2.405 112.219 114.554 0.117 0.000 2.901 235 T HA 0.284 4.634 4.350 0.000 0.000 0.293 235 T C 1.049 175.535 174.700 -0.356 0.000 1.084 235 T CA -0.811 61.264 62.100 -0.042 0.000 1.008 235 T CB 0.657 69.542 68.868 0.029 0.000 1.170 235 T HN -0.015 nan 8.240 nan 0.000 0.509 236 V N 1.647 121.280 119.914 -0.468 0.000 2.453 236 V HA -0.210 3.910 4.120 0.000 0.000 0.252 236 V C 2.975 178.788 176.094 -0.469 0.000 1.068 236 V CA 2.572 64.408 62.300 -0.774 0.000 1.070 236 V CB -1.310 30.328 31.823 -0.309 0.000 0.664 236 V HN 1.088 nan 8.190 nan 0.000 0.461 237 S N -0.731 114.847 115.700 -0.204 0.000 2.447 237 S HA -0.204 4.266 4.470 0.000 0.000 0.233 237 S C 1.562 176.306 174.600 0.241 0.000 1.006 237 S CA 1.295 59.494 58.200 -0.002 0.000 0.957 237 S CB -0.419 62.661 63.200 -0.201 0.000 0.773 237 S HN 0.635 nan 8.310 nan 0.000 0.507 238 D N 0.641 121.137 120.400 0.160 0.000 2.219 238 D HA -0.046 4.594 4.640 0.000 0.000 0.205 238 D C 1.242 177.784 176.300 0.403 0.000 0.970 238 D CA 0.883 55.099 54.000 0.360 0.000 0.851 238 D CB -0.208 40.870 40.800 0.463 0.000 0.943 238 D HN 0.442 nan 8.370 nan 0.000 0.488 239 Y N 0.709 121.122 120.300 0.189 0.000 2.352 239 Y HA -0.090 4.460 4.550 0.000 0.000 0.292 239 Y C 2.482 178.426 175.900 0.074 0.000 1.136 239 Y CA -0.133 58.040 58.100 0.122 0.000 1.227 239 Y CB -0.937 37.575 38.460 0.086 0.000 0.991 239 Y HN -0.132 nan 8.280 nan 0.000 0.545 240 V N -0.440 119.601 119.914 0.212 0.000 2.500 240 V HA -0.138 3.982 4.120 0.000 0.000 0.243 240 V C 2.354 178.372 176.094 -0.127 0.000 1.039 240 V CA 1.543 63.894 62.300 0.085 0.000 1.053 240 V CB -0.322 31.611 31.823 0.184 0.000 0.695 240 V HN 0.112 nan 8.190 nan 0.000 0.463 241 K N 0.717 120.974 120.400 -0.238 0.000 2.057 241 K HA -0.063 4.257 4.320 0.000 0.000 0.206 241 K C 0.228 176.323 176.600 -0.842 0.000 1.050 241 K CA 1.503 57.310 56.287 -0.799 0.000 0.935 241 K CB -0.167 31.694 32.500 -1.066 0.000 0.715 241 K HN 0.403 nan 8.250 nan 0.000 0.439 242 F N 2.556 122.478 119.950 -0.048 0.000 2.453 242 F HA 0.339 4.866 4.527 0.000 0.000 0.358 242 F C -2.261 173.542 175.800 0.004 0.000 1.129 242 F CA -2.974 55.011 58.000 -0.024 0.000 1.200 242 F CB 1.037 40.056 39.000 0.033 0.000 1.431 242 F HN -0.069 nan 8.300 nan 0.000 0.503 243 P HA 0.132 nan 4.420 nan 0.000 0.263 243 P C 0.866 178.200 177.300 0.056 0.000 1.195 243 P CA 1.113 64.241 63.100 0.047 0.000 0.762 243 P CB 1.249 32.941 31.700 -0.013 0.000 0.799 244 G N 3.593 112.415 108.800 0.037 0.000 2.238 244 G HA2 -0.293 3.668 3.960 0.000 0.000 0.217 244 G HA3 -0.293 3.668 3.960 0.000 0.000 0.217 244 G C 0.851 175.745 174.900 -0.010 0.000 0.996 244 G CA 0.132 45.235 45.100 0.004 0.000 0.632 244 G HN 0.512 nan 8.290 nan 0.000 0.503 245 I N 1.195 121.790 120.570 0.041 0.000 2.361 245 I HA -0.037 4.133 4.170 0.000 0.000 0.251 245 I C 2.426 178.489 176.117 -0.089 0.000 1.133 245 I CA 2.296 63.613 61.300 0.029 0.000 1.413 245 I CB -0.011 38.085 38.000 0.159 0.000 1.073 245 I HN 0.503 nan 8.210 nan 0.000 0.424 246 E N -0.162 119.894 120.200 -0.240 0.000 2.118 246 E HA -0.246 4.104 4.350 0.000 0.000 0.195 246 E C 1.824 178.234 176.600 -0.316 0.000 0.992 246 E CA 1.911 57.953 56.400 -0.596 0.000 0.804 246 E CB 0.043 29.250 29.700 -0.823 0.000 0.741 246 E HN 0.451 nan 8.360 nan 0.000 0.458 247 T N 0.719 115.159 114.554 -0.189 0.000 2.942 247 T HA 0.012 4.362 4.350 0.000 0.000 0.265 247 T C 1.747 176.384 174.700 -0.105 0.000 1.062 247 T CA 0.614 62.637 62.100 -0.128 0.000 1.139 247 T CB 0.042 68.857 68.868 -0.088 0.000 0.883 247 T HN 0.156 nan 8.240 nan 0.000 0.468 248 L N 0.194 121.360 121.223 -0.095 0.000 2.270 248 L HA 0.258 4.598 4.340 0.000 0.000 0.210 248 L C 0.773 177.584 176.870 -0.098 0.000 1.104 248 L CA 0.186 54.975 54.840 -0.084 0.000 0.804 248 L CB -0.353 41.666 42.059 -0.066 0.000 0.937 248 L HN 0.193 nan 8.230 nan 0.000 0.450 249 L N 2.503 123.665 121.223 -0.103 0.000 2.453 249 L HA 0.111 4.451 4.340 0.000 0.000 0.272 249 L C -1.749 175.045 176.870 -0.127 0.000 1.182 249 L CA -1.492 53.283 54.840 -0.108 0.000 0.858 249 L CB 0.291 42.311 42.059 -0.064 0.000 1.120 249 L HN -0.106 nan 8.230 nan 0.000 0.474 250 P HA 0.124 nan 4.420 nan 0.000 0.274 250 P C -2.208 174.998 177.300 -0.157 0.000 1.231 250 P CA -1.517 61.473 63.100 -0.183 0.000 0.790 250 P CB 0.388 31.922 31.700 -0.276 0.000 0.951 251 P HA -0.205 nan 4.420 nan 0.000 0.217 251 P C 0.834 178.092 177.300 -0.070 0.000 1.148 251 P CA 1.740 64.795 63.100 -0.075 0.000 0.828 251 P CB -0.402 31.265 31.700 -0.056 0.000 0.783 252 N N 0.099 118.724 118.700 -0.126 0.000 2.571 252 N HA 0.032 4.772 4.740 0.000 0.000 0.189 252 N C 1.369 176.818 175.510 -0.102 0.000 1.154 252 N CA 0.954 53.948 53.050 -0.094 0.000 0.907 252 N CB -0.912 37.514 38.487 -0.102 0.000 0.977 252 N HN 0.107 nan 8.380 nan 0.000 0.449 253 A N -0.739 121.984 122.820 -0.162 0.000 2.390 253 A HA 0.235 4.555 4.320 0.000 0.000 0.232 253 A C 0.317 177.926 177.584 0.043 0.000 1.233 253 A CA -0.284 51.713 52.037 -0.067 0.000 0.907 253 A CB 0.171 19.061 19.000 -0.184 0.000 0.967 253 A HN 0.149 nan 8.150 nan 0.000 0.512 254 K N -1.012 119.414 120.400 0.044 0.000 2.123 254 K HA 0.498 4.818 4.320 0.000 0.000 0.259 254 K C 0.887 177.552 176.600 0.109 0.000 0.960 254 K CA 0.126 56.479 56.287 0.110 0.000 0.872 254 K CB 1.198 33.755 32.500 0.095 0.000 1.079 254 K HN 0.430 nan 8.250 nan 0.000 0.440 255 G N 1.603 110.482 108.800 0.131 0.000 2.203 255 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 255 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 255 G C -0.135 174.815 174.900 0.084 0.000 1.012 255 G CA 0.254 45.413 45.100 0.099 0.000 0.749 255 G HN 0.593 nan 8.290 nan 0.000 0.512 256 Q N -0.413 119.445 119.800 0.097 0.000 2.421 256 Q HA 0.364 4.704 4.340 0.000 0.000 0.255 256 Q C 0.598 176.646 176.000 0.080 0.000 1.013 256 Q CA 0.010 55.870 55.803 0.095 0.000 0.895 256 Q CB 0.501 29.311 28.738 0.121 0.000 1.271 256 Q HN 0.277 nan 8.270 nan 0.000 0.460 257 N N 2.092 120.832 118.700 0.067 0.000 2.646 257 N HA 0.153 4.893 4.740 0.000 0.000 0.296 257 N C -1.387 174.151 175.510 0.045 0.000 1.886 257 N CA 0.032 53.114 53.050 0.054 0.000 0.855 257 N CB 0.645 39.157 38.487 0.042 0.000 1.336 257 N HN 0.445 nan 8.380 nan 0.000 0.496 258 I N 1.713 122.313 120.570 0.051 0.000 2.342 258 I HA 0.356 4.526 4.170 0.000 0.000 0.291 258 I C 0.197 176.335 176.117 0.035 0.000 1.010 258 I CA 0.118 61.441 61.300 0.038 0.000 1.308 258 I CB 0.903 38.924 38.000 0.035 0.000 1.400 258 I HN 0.013 nan 8.210 nan 0.000 0.488 259 T N 3.366 117.932 114.554 0.021 0.000 3.159 259 T HA 0.127 4.477 4.350 0.000 0.000 0.343 259 T C -0.410 174.293 174.700 0.005 0.000 1.364 259 T CA -0.575 61.527 62.100 0.004 0.000 1.102 259 T CB 1.731 70.591 68.868 -0.014 0.000 1.263 259 T HN 0.475 nan 8.240 nan 0.000 0.477 260 S N 2.313 118.009 115.700 -0.006 0.000 2.434 260 S HA 0.537 5.008 4.470 0.000 0.000 0.318 260 S C -0.254 174.281 174.600 -0.107 0.000 1.062 260 S CA -0.378 57.861 58.200 0.065 0.000 1.116 260 S CB -0.154 63.106 63.200 0.099 0.000 0.977 260 S HN 0.658 nan 8.310 nan 0.000 0.480 261 T N 5.507 119.976 114.554 -0.142 0.000 2.794 261 T HA 0.395 4.745 4.350 0.000 0.000 0.280 261 T C -0.610 173.789 174.700 -0.501 0.000 0.987 261 T CA -0.464 61.425 62.100 -0.352 0.000 0.993 261 T CB 1.079 69.792 68.868 -0.257 0.000 0.939 261 T HN 0.499 nan 8.240 nan 0.000 0.449 262 L N 3.728 124.555 121.223 -0.660 0.000 2.255 262 L HA 0.437 4.777 4.340 0.000 0.000 0.289 262 L C 0.120 176.643 176.870 -0.580 0.000 1.046 262 L CA -0.183 54.248 54.840 -0.681 0.000 0.816 262 L CB 0.463 42.176 42.059 -0.575 0.000 1.197 262 L HN 0.654 nan 8.230 nan 0.000 0.427 263 E N 5.628 125.506 120.200 -0.537 0.000 2.113 263 E HA 0.325 4.675 4.350 0.000 0.000 0.273 263 E C -1.152 175.236 176.600 -0.354 0.000 0.924 263 E CA -0.778 55.377 56.400 -0.409 0.000 0.764 263 E CB 0.913 30.439 29.700 -0.291 0.000 1.104 263 E HN 0.497 nan 8.360 nan 0.000 0.406 264 I N 4.921 125.266 120.570 -0.375 0.000 2.315 264 I HA 0.300 4.470 4.170 0.000 0.000 0.291 264 I C 0.216 176.285 176.117 -0.079 0.000 1.006 264 I CA -0.296 60.888 61.300 -0.193 0.000 1.265 264 I CB 0.974 38.817 38.000 -0.260 0.000 1.387 264 I HN 0.570 nan 8.210 nan 0.000 0.475 265 R N 5.692 126.197 120.500 0.007 0.000 2.387 265 R HA 0.309 4.649 4.340 0.000 0.000 0.314 265 R C -0.163 176.177 176.300 0.066 0.000 0.958 265 R CA -0.315 55.797 56.100 0.021 0.000 0.846 265 R CB 0.748 31.050 30.300 0.003 0.000 1.147 265 R HN 0.639 nan 8.270 nan 0.000 0.447 266 E N 1.378 121.621 120.200 0.072 0.000 2.238 266 E HA -0.286 4.064 4.350 0.000 0.000 0.219 266 E C -0.800 175.879 176.600 0.131 0.000 1.275 266 E CA 0.471 56.931 56.400 0.100 0.000 0.714 266 E CB -1.327 28.421 29.700 0.080 0.000 1.154 266 E HN 0.487 nan 8.360 nan 0.000 0.363 267 C N -0.136 119.257 119.300 0.155 0.000 2.505 267 C HA 0.788 5.248 4.460 0.000 0.000 0.358 267 C C 0.528 175.649 174.990 0.218 0.000 1.226 267 C CA -0.609 58.510 59.018 0.168 0.000 1.900 267 C CB 0.890 28.725 27.740 0.159 0.000 2.306 267 C HN 0.366 nan 8.230 nan 0.000 0.512 268 I N 0.777 121.475 120.570 0.213 0.000 2.619 268 I HA 0.503 4.673 4.170 0.000 0.000 0.292 268 I C 0.679 176.931 176.117 0.226 0.000 1.100 268 I CA -0.011 61.452 61.300 0.271 0.000 1.043 268 I CB 1.730 39.894 38.000 0.274 0.000 1.239 268 I HN 0.944 nan 8.210 nan 0.000 0.420 269 G N 4.158 113.124 108.800 0.276 0.000 2.246 269 G HA2 -0.168 3.793 3.960 0.000 0.000 0.273 269 G HA3 -0.168 3.793 3.960 0.000 0.000 0.273 269 G C -0.393 174.609 174.900 0.170 0.000 1.055 269 G CA -0.136 45.087 45.100 0.205 0.000 0.851 269 G HN 0.404 nan 8.290 nan 0.000 0.500 270 V N 0.041 120.081 119.914 0.210 0.000 2.417 270 V HA 0.550 4.670 4.120 0.000 0.000 0.291 270 V C 0.241 176.493 176.094 0.264 0.000 1.024 270 V CA -0.670 61.752 62.300 0.203 0.000 0.861 270 V CB 1.770 33.718 31.823 0.209 0.000 0.985 270 V HN 0.426 nan 8.190 nan 0.000 0.436 271 E N 3.085 123.431 120.200 0.242 0.000 2.212 271 E HA 0.624 4.974 4.350 0.000 0.000 0.268 271 E C -1.438 175.375 176.600 0.355 0.000 0.902 271 E CA -0.734 55.850 56.400 0.306 0.000 0.779 271 E CB 2.762 32.669 29.700 0.346 0.000 1.172 271 E HN 0.416 nan 8.360 nan 0.000 0.409 272 V N 3.702 123.826 119.914 0.349 0.000 2.357 272 V HA 0.224 4.344 4.120 0.000 0.000 0.284 272 V C -0.416 175.804 176.094 0.209 0.000 1.018 272 V CA -0.616 61.852 62.300 0.282 0.000 0.841 272 V CB 0.840 32.811 31.823 0.247 0.000 0.991 272 V HN 0.640 nan 8.190 nan 0.000 0.437 273 H N 4.565 123.670 119.070 0.058 0.000 2.492 273 H HA 0.483 5.039 4.556 0.000 0.000 0.345 273 H C 0.177 175.519 175.328 0.024 0.000 1.136 273 H CA -0.855 55.216 56.048 0.038 0.000 1.202 273 H CB 1.301 31.090 29.762 0.045 0.000 1.524 273 H HN 0.533 nan 8.280 nan 0.000 0.506 274 R N 0.322 120.874 120.500 0.087 0.000 3.322 274 R HA -0.178 4.162 4.340 0.000 0.000 0.253 274 R C -0.219 176.111 176.300 0.050 0.000 0.987 274 R CA 0.235 56.375 56.100 0.067 0.000 0.666 274 R CB -1.382 28.982 30.300 0.107 0.000 1.072 274 R HN 0.613 nan 8.270 nan 0.000 0.447 275 A N 0.329 123.119 122.820 -0.050 0.000 2.366 275 A HA 0.625 4.945 4.320 0.000 0.000 0.249 275 A C 0.548 178.111 177.584 -0.035 0.000 1.084 275 A CA 0.385 52.364 52.037 -0.097 0.000 0.794 275 A CB 1.371 20.021 19.000 -0.583 0.000 1.034 275 A HN 0.318 nan 8.150 nan 0.000 0.491 276 S N -1.456 114.289 115.700 0.074 0.000 2.757 276 S HA 0.846 5.316 4.470 0.000 0.000 0.285 276 S C -0.359 174.037 174.600 -0.340 0.000 1.196 276 S CA 0.346 58.537 58.200 -0.015 0.000 0.856 276 S CB 1.381 64.651 63.200 0.118 0.000 1.212 276 S HN 2.581 nan 8.310 nan 0.000 0.516 277 G N 0.299 108.587 108.800 -0.853 0.000 2.361 277 G HA2 0.342 4.302 3.960 0.000 0.000 0.305 277 G HA3 0.342 4.302 3.960 0.000 0.000 0.305 277 G C -2.675 171.939 174.900 -0.477 0.000 1.367 277 G CA -0.784 43.565 45.100 -1.251 0.000 0.951 277 G HN 0.640 nan 8.290 nan 0.000 0.615 278 L N 1.282 122.365 121.223 -0.233 0.000 2.356 278 L HA 0.624 4.964 4.340 0.000 0.000 0.277 278 L C 1.002 177.887 176.870 0.024 0.000 0.996 278 L CA -0.604 54.246 54.840 0.016 0.000 0.822 278 L CB 1.141 43.278 42.059 0.130 0.000 1.256 278 L HN 0.879 nan 8.230 nan 0.000 0.413 279 M N 0.993 120.627 119.600 0.056 0.000 2.461 279 M HA -0.202 4.278 4.480 0.000 0.000 0.203 279 M C 0.168 176.472 176.300 0.006 0.000 0.428 279 M CA 0.608 55.938 55.300 0.051 0.000 0.509 279 M CB -1.913 30.712 32.600 0.043 0.000 1.851 279 M HN 0.705 nan 8.290 nan 0.000 0.834 280 A N -0.089 122.724 122.820 -0.012 0.000 2.304 280 A HA 0.834 5.154 4.320 0.000 0.000 0.301 280 A C 0.824 178.327 177.584 -0.134 0.000 1.132 280 A CA 0.365 52.334 52.037 -0.113 0.000 0.819 280 A CB 1.015 19.962 19.000 -0.088 0.000 1.094 280 A HN 0.806 nan 8.150 nan 0.000 0.492 281 G N -0.198 108.357 108.800 -0.409 0.000 2.667 281 G HA2 0.634 4.594 3.960 0.000 0.000 0.298 281 G HA3 0.634 4.594 3.960 0.000 0.000 0.298 281 G C -1.488 172.960 174.900 -0.753 0.000 1.377 281 G CA -0.430 44.472 45.100 -0.331 0.000 0.964 281 G HN 0.427 nan 8.290 nan 0.000 0.493 282 F N 0.858 120.718 119.950 -0.151 0.000 2.539 282 F HA 0.540 5.067 4.527 0.000 0.000 0.328 282 F C -0.368 175.247 175.800 -0.308 0.000 1.148 282 F CA -0.870 56.979 58.000 -0.251 0.000 0.940 282 F CB 2.452 41.348 39.000 -0.173 0.000 1.194 282 F HN 0.380 nan 8.300 nan 0.000 0.438 283 L N 4.696 125.721 121.223 -0.330 0.000 2.349 283 L HA 0.675 5.016 4.340 0.000 0.000 0.278 283 L C -1.739 174.860 176.870 -0.451 0.000 0.996 283 L CA -0.498 54.157 54.840 -0.309 0.000 0.825 283 L CB 0.591 42.506 42.059 -0.241 0.000 1.243 283 L HN 0.342 nan 8.230 nan 0.000 0.412 284 F N 4.611 124.385 119.950 -0.293 0.000 2.334 284 F HA 0.531 5.059 4.527 0.000 0.000 0.367 284 F C 0.500 176.233 175.800 -0.113 0.000 1.115 284 F CA -0.445 57.461 58.000 -0.157 0.000 1.116 284 F CB 0.843 39.787 39.000 -0.095 0.000 1.230 284 F HN 0.395 nan 8.300 nan 0.000 0.484 285 R N 1.753 122.262 120.500 0.016 0.000 2.246 285 R HA 0.483 4.823 4.340 0.000 0.000 0.332 285 R C 0.788 177.089 176.300 0.001 0.000 0.974 285 R CA 0.071 56.158 56.100 -0.022 0.000 0.837 285 R CB 0.843 31.105 30.300 -0.063 0.000 1.145 285 R HN 0.921 nan 8.270 nan 0.000 0.467 286 G N 2.845 111.629 108.800 -0.027 0.000 2.176 286 G HA2 -0.282 3.678 3.960 0.000 0.000 0.252 286 G HA3 -0.282 3.678 3.960 0.000 0.000 0.252 286 G C 0.014 174.886 174.900 -0.046 0.000 1.024 286 G CA 0.142 45.220 45.100 -0.037 0.000 0.755 286 G HN 0.613 nan 8.290 nan 0.000 0.507 287 C N -0.762 118.503 119.300 -0.058 0.000 2.362 287 C HA 0.863 5.323 4.460 0.000 0.000 0.363 287 C C 0.417 175.202 174.990 -0.342 0.000 1.220 287 C CA -0.476 58.543 59.018 0.001 0.000 2.379 287 C CB 1.009 28.896 27.740 0.245 0.000 2.351 287 C HN 0.606 nan 8.230 nan 0.000 0.582 288 H N -1.333 117.776 119.070 0.066 0.000 2.894 288 H HA 0.466 5.023 4.556 0.000 0.000 0.367 288 H C -0.358 174.980 175.328 0.016 0.000 1.144 288 H CA -0.642 55.328 56.048 -0.129 0.000 1.180 288 H CB 0.604 30.298 29.762 -0.113 0.000 1.758 288 H HN 0.571 nan 8.280 nan 0.000 0.541 289 F N -0.920 119.104 119.950 0.124 0.000 3.091 289 F HA -0.280 4.247 4.527 0.000 0.000 0.288 289 F C -0.264 175.592 175.800 0.094 0.000 0.907 289 F CA -0.082 57.978 58.000 0.100 0.000 1.028 289 F CB -2.182 36.884 39.000 0.110 0.000 1.022 289 F HN 0.356 nan 8.300 nan 0.000 0.665 290 C N 0.481 119.846 119.300 0.110 0.000 2.399 290 C HA 0.808 5.269 4.460 0.000 0.000 0.348 290 C C 0.404 175.406 174.990 0.019 0.000 1.183 290 C CA -1.055 58.046 59.018 0.139 0.000 2.023 290 C CB 2.058 29.947 27.740 0.248 0.000 2.361 290 C HN 0.335 nan 8.230 nan 0.000 0.521 291 K N 1.332 121.786 120.400 0.091 0.000 2.498 291 K HA 0.535 4.855 4.320 0.000 0.000 0.254 291 K C -1.303 175.340 176.600 0.073 0.000 0.933 291 K CA -0.661 55.666 56.287 0.066 0.000 0.806 291 K CB 1.932 34.466 32.500 0.057 0.000 1.301 291 K HN 0.440 nan 8.250 nan 0.000 0.432 292 M N 3.356 122.981 119.600 0.041 0.000 2.055 292 M HA 0.246 4.726 4.480 0.000 0.000 0.346 292 M C -1.670 174.590 176.300 -0.066 0.000 1.074 292 M CA -0.638 54.669 55.300 0.011 0.000 1.009 292 M CB 0.940 33.520 32.600 -0.034 0.000 1.423 292 M HN 0.320 nan 8.290 nan 0.000 0.410 293 V N 4.866 124.671 119.914 -0.182 0.000 2.435 293 V HA 0.389 4.509 4.120 0.000 0.000 0.290 293 V C -0.105 175.867 176.094 -0.203 0.000 1.030 293 V CA -0.682 61.448 62.300 -0.284 0.000 0.881 293 V CB 1.580 32.993 31.823 -0.682 0.000 0.983 293 V HN 0.861 nan 8.190 nan 0.000 0.445 294 D N 2.230 122.583 120.400 -0.078 0.000 2.686 294 D HA -0.185 4.456 4.640 0.000 0.000 0.235 294 D C 0.652 176.956 176.300 0.006 0.000 1.160 294 D CA 1.194 55.189 54.000 -0.008 0.000 0.645 294 D CB -0.606 40.193 40.800 -0.002 0.000 1.039 294 D HN 0.998 nan 8.370 nan 0.000 0.423 295 A N 0.975 123.803 122.820 0.014 0.000 2.561 295 A HA 0.032 4.352 4.320 0.000 0.000 0.251 295 A C 1.018 178.620 177.584 0.031 0.000 1.062 295 A CA 0.127 52.157 52.037 -0.012 0.000 0.761 295 A CB 0.143 19.149 19.000 0.010 0.000 0.986 295 A HN 0.236 nan 8.150 nan 0.000 0.510 296 N N 2.931 121.646 118.700 0.024 0.000 3.254 296 N HA -0.042 4.698 4.740 0.000 0.000 0.308 296 N C 0.357 175.906 175.510 0.064 0.000 1.281 296 N CA 0.383 53.465 53.050 0.054 0.000 1.212 296 N CB -1.107 37.427 38.487 0.078 0.000 1.478 296 N HN 0.776 nan 8.380 nan 0.000 0.548 297 N N 0.372 119.105 118.700 0.054 0.000 2.705 297 N HA -0.137 4.603 4.740 0.000 0.000 0.255 297 N C -2.347 173.212 175.510 0.082 0.000 1.008 297 N CA -0.231 52.855 53.050 0.059 0.000 0.742 297 N CB -0.002 38.513 38.487 0.046 0.000 0.906 297 N HN 0.380 nan 8.380 nan 0.000 0.541 298 P HA 0.044 nan 4.420 nan 0.000 0.271 298 P C -0.503 176.882 177.300 0.142 0.000 1.218 298 P CA -0.005 63.154 63.100 0.099 0.000 0.780 298 P CB 1.442 33.249 31.700 0.179 0.000 0.901 299 S N 1.559 117.350 115.700 0.152 0.000 2.452 299 S HA 0.508 4.978 4.470 0.000 0.000 0.284 299 S C 0.628 175.353 174.600 0.207 0.000 1.171 299 S CA -0.530 57.822 58.200 0.254 0.000 1.064 299 S CB -0.253 63.126 63.200 0.299 0.000 0.967 299 S HN 0.590 nan 8.310 nan 0.000 0.484 300 G N 3.049 111.989 108.800 0.234 0.000 2.634 300 G HA2 0.542 4.502 3.960 0.000 0.000 0.255 300 G HA3 0.542 4.502 3.960 0.000 0.000 0.255 300 G C 0.481 175.476 174.900 0.158 0.000 1.205 300 G CA -0.157 45.049 45.100 0.177 0.000 0.884 300 G HN 0.869 nan 8.290 nan 0.000 0.549 301 G N -1.056 107.808 108.800 0.107 0.000 3.039 301 G HA2 0.347 4.307 3.960 0.000 0.000 0.159 301 G HA3 0.347 4.307 3.960 0.000 0.000 0.159 301 G C 1.022 175.984 174.900 0.104 0.000 1.284 301 G CA -0.152 45.004 45.100 0.095 0.000 0.996 301 G HN 0.527 nan 8.290 nan 0.000 0.592 302 K N -0.054 120.397 120.400 0.084 0.000 2.057 302 K HA -0.029 4.291 4.320 0.000 0.000 0.206 302 K C 0.254 176.892 176.600 0.063 0.000 1.050 302 K CA 0.911 57.250 56.287 0.087 0.000 0.935 302 K CB -0.300 32.244 32.500 0.073 0.000 0.715 302 K HN 0.379 nan 8.250 nan 0.000 0.439 303 D N -0.467 119.956 120.400 0.038 0.000 2.433 303 D HA 0.151 4.791 4.640 0.000 0.000 0.255 303 D C 0.090 176.410 176.300 0.034 0.000 1.226 303 D CA -0.068 53.947 54.000 0.025 0.000 1.015 303 D CB 0.333 41.127 40.800 -0.010 0.000 1.091 303 D HN 0.175 nan 8.370 nan 0.000 0.527 304 G N -0.226 108.595 108.800 0.034 0.000 2.484 304 G HA2 0.156 4.116 3.960 0.000 0.000 0.235 304 G HA3 0.156 4.116 3.960 0.000 0.000 0.235 304 G C 1.233 176.157 174.900 0.040 0.000 1.282 304 G CA -0.312 44.815 45.100 0.045 0.000 0.857 304 G HN 0.427 nan 8.290 nan 0.000 0.571 305 I N 0.584 121.200 120.570 0.076 0.000 2.333 305 I HA 0.101 4.271 4.170 0.000 0.000 0.246 305 I C 0.612 176.822 176.117 0.154 0.000 1.106 305 I CA 1.039 62.420 61.300 0.135 0.000 1.411 305 I CB -0.100 38.007 38.000 0.178 0.000 1.082 305 I HN 0.240 nan 8.210 nan 0.000 0.420 306 I N 0.652 121.245 120.570 0.038 0.000 2.468 306 I HA 0.250 4.421 4.170 0.000 0.000 0.284 306 I C -0.967 175.015 176.117 -0.224 0.000 1.038 306 I CA -0.143 61.113 61.300 -0.074 0.000 1.083 306 I CB 1.879 39.782 38.000 -0.162 0.000 1.223 306 I HN -0.129 nan 8.210 nan 0.000 0.443 307 T N 5.743 120.130 114.554 -0.278 0.000 2.841 307 T HA 0.529 4.879 4.350 0.000 0.000 0.285 307 T C -0.750 173.669 174.700 -0.468 0.000 0.991 307 T CA -0.379 61.529 62.100 -0.322 0.000 0.966 307 T CB 1.045 69.804 68.868 -0.182 0.000 0.962 307 T HN 0.093 nan 8.240 nan 0.000 0.438 308 F N 2.478 122.228 119.950 -0.333 0.000 2.325 308 F HA 0.379 4.906 4.527 0.000 0.000 0.369 308 F C 0.652 176.326 175.800 -0.211 0.000 1.095 308 F CA -0.915 56.913 58.000 -0.286 0.000 1.082 308 F CB 1.074 39.771 39.000 -0.504 0.000 1.289 308 F HN 0.478 nan 8.300 nan 0.000 0.462 309 E N 2.693 122.875 120.200 -0.030 0.000 2.151 309 E HA 0.356 4.706 4.350 0.000 0.000 0.275 309 E C -0.882 175.659 176.600 -0.099 0.000 0.936 309 E CA -0.447 55.882 56.400 -0.117 0.000 0.777 309 E CB 0.755 30.349 29.700 -0.178 0.000 1.108 309 E HN 0.583 nan 8.360 nan 0.000 0.401 310 N N 4.497 123.115 118.700 -0.136 0.000 2.646 310 N HA 0.184 4.924 4.740 0.000 0.000 0.303 310 N C 0.258 175.641 175.510 -0.212 0.000 1.921 310 N CA -0.077 52.881 53.050 -0.154 0.000 0.872 310 N CB 0.692 39.087 38.487 -0.153 0.000 1.327 310 N HN 0.435 nan 8.380 nan 0.000 0.492 311 L N -0.992 120.113 121.223 -0.198 0.000 2.313 311 L HA 0.154 4.494 4.340 0.000 0.000 0.214 311 L C 0.206 176.974 176.870 -0.171 0.000 1.119 311 L CA 0.860 55.572 54.840 -0.213 0.000 0.809 311 L CB 0.036 41.983 42.059 -0.187 0.000 0.933 311 L HN 0.149 nan 8.230 nan 0.000 0.449 312 S N -1.456 114.171 115.700 -0.122 0.000 2.648 312 S HA 0.739 5.209 4.470 0.000 0.000 0.305 312 S C 0.358 174.935 174.600 -0.038 0.000 1.094 312 S CA -0.124 58.032 58.200 -0.074 0.000 0.983 312 S CB 2.007 65.178 63.200 -0.048 0.000 1.101 312 S HN 0.424 nan 8.310 nan 0.000 0.514 313 G N 2.010 110.807 108.800 -0.005 0.000 2.539 313 G HA2 -0.179 3.781 3.960 0.000 0.000 0.256 313 G HA3 -0.179 3.781 3.960 0.000 0.000 0.256 313 G C -1.091 173.847 174.900 0.064 0.000 1.233 313 G CA -0.132 44.995 45.100 0.046 0.000 0.936 313 G HN 0.681 nan 8.290 nan 0.000 0.571 314 D N -0.139 120.347 120.400 0.143 0.000 2.358 314 D HA 0.368 5.008 4.640 0.000 0.000 0.244 314 D C 0.335 176.796 176.300 0.269 0.000 1.163 314 D CA 0.017 54.141 54.000 0.207 0.000 0.945 314 D CB 0.286 41.173 40.800 0.145 0.000 1.152 314 D HN 0.381 nan 8.370 nan 0.000 0.451 315 W N 0.614 121.973 121.300 0.099 0.000 2.210 315 W HA 0.300 4.960 4.660 0.000 0.000 0.330 315 W C 1.301 177.897 176.519 0.129 0.000 1.334 315 W CA -0.096 57.294 57.345 0.075 0.000 1.227 315 W CB 0.206 29.683 29.460 0.029 0.000 1.178 315 W HN 0.224 nan 8.180 nan 0.000 0.560 316 G N 3.092 111.995 108.800 0.172 0.000 2.432 316 G HA2 0.299 4.259 3.960 0.000 0.000 0.239 316 G HA3 0.299 4.259 3.960 0.000 0.000 0.239 316 G C -0.853 174.055 174.900 0.013 0.000 1.291 316 G CA -0.286 44.782 45.100 -0.055 0.000 0.863 316 G HN 0.441 nan 8.290 nan 0.000 0.560 317 K N 0.623 120.965 120.400 -0.096 0.000 2.527 317 K HA 0.516 4.836 4.320 0.000 0.000 0.260 317 K C 0.540 176.718 176.600 -0.704 0.000 0.937 317 K CA -0.159 55.942 56.287 -0.310 0.000 0.826 317 K CB 1.405 33.758 32.500 -0.245 0.000 1.359 317 K HN 1.304 nan 8.250 nan 0.000 0.434 318 G N 1.788 110.250 108.800 -0.563 0.000 2.162 318 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 318 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 318 G C -0.706 174.008 174.900 -0.308 0.000 0.976 318 G CA 0.406 45.283 45.100 -0.370 0.000 0.655 318 G HN 0.689 nan 8.290 nan 0.000 0.533 319 N N 0.009 118.355 118.700 -0.589 0.000 2.419 319 N HA 0.614 5.354 4.740 0.000 0.000 0.264 319 N C -0.807 174.201 175.510 -0.837 0.000 1.031 319 N CA -0.248 52.282 53.050 -0.867 0.000 0.951 319 N CB 0.621 38.274 38.487 -1.390 0.000 1.101 319 N HN 0.301 nan 8.380 nan 0.000 0.488 320 Y N 0.226 120.187 120.300 -0.566 0.000 2.576 320 Y HA 0.502 5.053 4.550 0.000 0.000 0.346 320 Y C -0.365 175.496 175.900 -0.064 0.000 1.018 320 Y CA -1.043 56.924 58.100 -0.221 0.000 1.050 320 Y CB 1.446 39.829 38.460 -0.129 0.000 1.280 320 Y HN 0.093 nan 8.280 nan 0.000 0.474 321 V N 4.215 124.266 119.914 0.228 0.000 2.378 321 V HA 0.462 4.582 4.120 0.000 0.000 0.288 321 V C -0.544 175.609 176.094 0.098 0.000 1.016 321 V CA -0.670 61.682 62.300 0.086 0.000 0.840 321 V CB 1.129 32.890 31.823 -0.103 0.000 0.994 321 V HN 0.535 nan 8.190 nan 0.000 0.431 322 I N 3.859 124.465 120.570 0.060 0.000 2.439 322 I HA 0.538 4.708 4.170 0.000 0.000 0.285 322 I C 1.080 177.241 176.117 0.074 0.000 1.021 322 I CA -0.390 60.943 61.300 0.055 0.000 1.091 322 I CB 1.718 39.696 38.000 -0.036 0.000 1.242 322 I HN 0.823 nan 8.210 nan 0.000 0.439 323 G N 4.172 113.056 108.800 0.140 0.000 2.168 323 G HA2 -0.213 3.747 3.960 0.000 0.000 0.257 323 G HA3 -0.213 3.747 3.960 0.000 0.000 0.257 323 G C 0.553 175.563 174.900 0.183 0.000 0.997 323 G CA 0.233 45.415 45.100 0.136 0.000 0.708 323 G HN 0.911 nan 8.290 nan 0.000 0.520 324 G N -1.223 107.798 108.800 0.368 0.000 2.588 324 G HA2 0.579 4.539 3.960 0.000 0.000 0.278 324 G HA3 0.579 4.539 3.960 0.000 0.000 0.278 324 G C 0.086 175.092 174.900 0.177 0.000 1.307 324 G CA -0.087 45.255 45.100 0.402 0.000 1.016 324 G HN 0.593 nan 8.290 nan 0.000 0.503 325 R N -0.635 119.929 120.500 0.107 0.000 2.522 325 R HA 0.434 4.774 4.340 0.000 0.000 0.273 325 R C -1.098 175.216 176.300 0.022 0.000 1.133 325 R CA -0.331 55.714 56.100 -0.091 0.000 0.969 325 R CB 1.678 31.947 30.300 -0.052 0.000 1.235 325 R HN 0.880 nan 8.270 nan 0.000 0.433 326 T N -0.904 113.634 114.554 -0.027 0.000 2.901 326 T HA 0.710 5.060 4.350 0.000 0.000 0.293 326 T C -0.693 174.016 174.700 0.014 0.000 1.084 326 T CA -0.655 61.493 62.100 0.080 0.000 1.008 326 T CB 2.101 71.101 68.868 0.220 0.000 1.170 326 T HN 0.288 nan 8.240 nan 0.000 0.509 327 S N 0.879 116.589 115.700 0.017 0.000 2.541 327 S HA 0.735 5.205 4.470 0.000 0.000 0.280 327 S C -1.399 173.139 174.600 -0.103 0.000 1.112 327 S CA -0.570 57.538 58.200 -0.153 0.000 0.925 327 S CB 0.540 63.584 63.200 -0.261 0.000 1.067 327 S HN 0.885 nan 8.310 nan 0.000 0.479 328 Y N 0.191 120.547 120.300 0.092 0.000 2.910 328 Y HA -0.041 4.509 4.550 0.000 0.000 0.465 328 Y C 0.816 176.760 175.900 0.074 0.000 1.206 328 Y CA 0.964 59.126 58.100 0.105 0.000 2.474 328 Y CB -1.540 37.052 38.460 0.221 0.000 1.242 328 Y HN 1.791 nan 8.280 nan 0.000 0.634 329 G N -1.191 107.804 108.800 0.325 0.000 2.712 329 G HA2 0.162 4.122 3.960 0.000 0.000 0.686 329 G HA3 0.162 4.122 3.960 0.000 0.000 0.686 329 G C 0.305 175.250 174.900 0.075 0.000 1.181 329 G CA -0.025 45.183 45.100 0.180 0.000 0.762 329 G HN 1.162 nan 8.290 nan 0.000 0.641 330 S N -0.585 115.169 115.700 0.090 0.000 2.446 330 S HA 0.233 4.703 4.470 0.000 0.000 0.225 330 S C 1.792 176.339 174.600 -0.088 0.000 1.016 330 S CA 1.841 60.059 58.200 0.030 0.000 0.943 330 S CB -0.126 63.198 63.200 0.207 0.000 0.786 330 S HN 1.760 nan 8.310 nan 0.000 0.508 331 V N -1.592 118.297 119.914 -0.041 0.000 5.546 331 V HA 0.574 4.694 4.120 0.000 0.000 0.279 331 V C 0.062 176.125 176.094 -0.052 0.000 1.521 331 V CA -0.938 61.319 62.300 -0.071 0.000 0.732 331 V CB 0.277 32.079 31.823 -0.035 0.000 1.397 331 V HN 0.042 nan 8.190 nan 0.000 0.420 332 S N 0.739 116.422 115.700 -0.028 0.000 2.565 332 S HA 0.314 4.785 4.470 0.000 0.000 0.276 332 S C 1.224 175.858 174.600 0.057 0.000 1.326 332 S CA 0.126 58.328 58.200 0.004 0.000 1.045 332 S CB 1.239 64.444 63.200 0.009 0.000 0.918 332 S HN 0.735 nan 8.310 nan 0.000 0.505 333 S N 1.770 117.521 115.700 0.085 0.000 2.355 333 S HA 0.076 4.546 4.470 0.000 0.000 0.222 333 S C 0.806 175.477 174.600 0.117 0.000 1.031 333 S CA 0.848 59.141 58.200 0.156 0.000 0.993 333 S CB -0.052 63.313 63.200 0.275 0.000 0.859 333 S HN 0.897 nan 8.310 nan 0.000 0.453 334 A N 1.704 124.578 122.820 0.089 0.000 2.353 334 A HA 0.654 4.974 4.320 0.000 0.000 0.299 334 A C -0.638 176.998 177.584 0.087 0.000 1.089 334 A CA -0.832 51.191 52.037 -0.024 0.000 0.736 334 A CB 1.061 19.957 19.000 -0.172 0.000 1.195 334 A HN 0.368 nan 8.150 nan 0.000 0.447 335 Q N 1.230 121.028 119.800 -0.002 0.000 2.379 335 Q HA 0.796 5.137 4.340 0.000 0.000 0.278 335 Q C -1.945 174.049 176.000 -0.010 0.000 1.068 335 Q CA -0.661 55.252 55.803 0.182 0.000 0.816 335 Q CB 1.831 30.765 28.738 0.325 0.000 1.387 335 Q HN 0.430 nan 8.270 nan 0.000 0.413 336 F N 1.244 121.341 119.950 0.244 0.000 2.520 336 F HA 0.591 5.118 4.527 0.000 0.000 0.322 336 F C -0.999 174.866 175.800 0.109 0.000 1.103 336 F CA -0.896 57.209 58.000 0.175 0.000 0.926 336 F CB 1.846 40.952 39.000 0.177 0.000 1.154 336 F HN 0.402 nan 8.300 nan 0.000 0.453 337 L N 2.674 123.969 121.223 0.120 0.000 2.376 337 L HA 0.549 4.889 4.340 0.000 0.000 0.275 337 L C 0.152 176.991 176.870 -0.051 0.000 0.987 337 L CA -0.776 54.035 54.840 -0.048 0.000 0.828 337 L CB 1.841 43.698 42.059 -0.336 0.000 1.249 337 L HN 0.598 nan 8.230 nan 0.000 0.409 338 R N 2.062 122.517 120.500 -0.076 0.000 3.146 338 R HA -0.225 4.115 4.340 0.000 0.000 0.250 338 R C -0.959 175.324 176.300 -0.028 0.000 0.912 338 R CA 0.340 56.251 56.100 -0.316 0.000 0.633 338 R CB -1.006 28.896 30.300 -0.662 0.000 1.180 338 R HN 0.815 nan 8.270 nan 0.000 0.464 339 N N 0.451 119.331 118.700 0.299 0.000 2.269 339 N HA 0.379 5.119 4.740 0.000 0.000 0.304 339 N C -1.187 174.609 175.510 0.476 0.000 1.072 339 N CA -0.755 52.495 53.050 0.333 0.000 0.802 339 N CB 1.677 40.294 38.487 0.217 0.000 1.348 339 N HN 0.406 nan 8.380 nan 0.000 0.484 340 N N -0.112 118.789 118.700 0.336 0.000 2.533 340 N HA 0.311 5.051 4.740 0.000 0.000 0.289 340 N C 0.242 175.755 175.510 0.005 0.000 1.103 340 N CA -0.499 52.654 53.050 0.173 0.000 0.877 340 N CB 0.843 39.312 38.487 -0.029 0.000 1.419 340 N HN 0.628 nan 8.380 nan 0.000 0.517 341 G N 1.905 110.682 108.800 -0.038 0.000 2.848 341 G HA2 0.328 4.288 3.960 0.000 0.000 0.208 341 G HA3 0.328 4.288 3.960 0.000 0.000 0.208 341 G C 0.826 175.681 174.900 -0.075 0.000 1.152 341 G CA 0.453 45.487 45.100 -0.110 0.000 0.789 341 G HN 0.941 nan 8.290 nan 0.000 0.531 342 G N -0.553 108.192 108.800 -0.091 0.000 2.804 342 G HA2 -0.230 3.730 3.960 0.000 0.000 0.230 342 G HA3 -0.230 3.730 3.960 0.000 0.000 0.230 342 G C 0.445 175.344 174.900 -0.003 0.000 1.386 342 G CA -0.105 44.888 45.100 -0.179 0.000 0.875 342 G HN 0.107 nan 8.290 nan 0.000 0.557 343 F N 1.337 121.267 119.950 -0.034 0.000 2.269 343 F HA 0.013 4.540 4.527 0.000 0.000 0.301 343 F C 2.747 178.538 175.800 -0.016 0.000 1.082 343 F CA 1.903 59.887 58.000 -0.026 0.000 1.360 343 F CB -0.440 38.544 39.000 -0.027 0.000 1.041 343 F HN 0.656 nan 8.300 nan 0.000 0.512 344 E N 0.354 120.647 120.200 0.154 0.000 2.418 344 E HA -0.174 4.177 4.350 0.000 0.000 0.197 344 E C 0.155 176.797 176.600 0.071 0.000 1.026 344 E CA 0.292 56.751 56.400 0.100 0.000 0.862 344 E CB -0.371 29.378 29.700 0.082 0.000 0.799 344 E HN 0.190 nan 8.360 nan 0.000 0.518 345 R N 1.337 121.867 120.500 0.050 0.000 3.336 345 R HA -0.144 4.197 4.340 0.000 0.000 0.260 345 R C -0.785 175.487 176.300 -0.047 0.000 1.032 345 R CA 0.859 56.957 56.100 -0.003 0.000 0.693 345 R CB -2.962 27.345 30.300 0.012 0.000 1.134 345 R HN 0.245 nan 8.270 nan 0.000 0.433 346 D N 0.869 121.232 120.400 -0.062 0.000 2.517 346 D HA 0.482 5.122 4.640 0.000 0.000 0.220 346 D C 0.718 176.715 176.300 -0.505 0.000 1.158 346 D CA 1.374 55.329 54.000 -0.075 0.000 0.992 346 D CB 0.193 41.024 40.800 0.050 0.000 1.058 346 D HN 0.589 nan 8.370 nan 0.000 0.516 347 G N 0.311 108.463 108.800 -1.080 0.000 2.353 347 G HA2 0.533 4.493 3.960 0.000 0.000 0.308 347 G HA3 0.533 4.493 3.960 0.000 0.000 0.308 347 G C -0.182 174.083 174.900 -1.058 0.000 1.418 347 G CA -0.014 44.242 45.100 -1.405 0.000 0.966 347 G HN 0.766 nan 8.290 nan 0.000 0.638 348 G N -2.262 105.999 108.800 -0.898 0.000 2.298 348 G HA2 0.469 4.429 3.960 0.000 0.000 0.309 348 G HA3 0.469 4.429 3.960 0.000 0.000 0.309 348 G C -1.288 173.474 174.900 -0.231 0.000 1.279 348 G CA 0.456 45.046 45.100 -0.850 0.000 1.042 348 G HN 1.867 nan 8.290 nan 0.000 0.480 349 V N 0.823 120.631 119.914 -0.175 0.000 2.443 349 V HA 0.704 4.824 4.120 0.000 0.000 0.293 349 V C 0.022 176.231 176.094 0.190 0.000 1.021 349 V CA -0.412 61.987 62.300 0.166 0.000 0.848 349 V CB 1.184 33.242 31.823 0.393 0.000 0.998 349 V HN 0.692 nan 8.190 nan 0.000 0.424 350 I N 3.034 123.724 120.570 0.201 0.000 2.533 350 I HA 0.626 4.796 4.170 0.000 0.000 0.290 350 I C 1.036 177.273 176.117 0.199 0.000 1.056 350 I CA -0.628 60.776 61.300 0.174 0.000 1.057 350 I CB 2.052 40.118 38.000 0.110 0.000 1.240 350 I HN 0.792 nan 8.210 nan 0.000 0.423 351 G N 4.331 113.246 108.800 0.193 0.000 2.283 351 G HA2 -0.314 3.646 3.960 0.000 0.000 0.280 351 G HA3 -0.314 3.646 3.960 0.000 0.000 0.280 351 G C -0.355 174.687 174.900 0.237 0.000 1.029 351 G CA 0.191 45.395 45.100 0.173 0.000 0.840 351 G HN 0.492 nan 8.290 nan 0.000 0.505 352 F N 1.085 121.111 119.950 0.127 0.000 2.425 352 F HA 0.737 5.264 4.527 0.000 0.000 0.331 352 F C 0.304 176.173 175.800 0.115 0.000 1.085 352 F CA -0.533 57.539 58.000 0.119 0.000 1.028 352 F CB 1.960 41.052 39.000 0.153 0.000 1.177 352 F HN 0.004 nan 8.300 nan 0.000 0.487 353 T N 3.512 117.586 114.554 -0.799 0.000 2.824 353 T HA 0.417 4.768 4.350 0.000 0.000 0.282 353 T C -1.113 172.966 174.700 -1.035 0.000 0.993 353 T CA -0.696 61.013 62.100 -0.653 0.000 0.967 353 T CB 1.253 69.947 68.868 -0.291 0.000 0.960 353 T HN 0.601 nan 8.240 nan 0.000 0.441 354 S N 3.038 118.369 115.700 -0.616 0.000 2.552 354 S HA 0.570 5.040 4.470 0.000 0.000 0.314 354 S C -1.391 173.142 174.600 -0.113 0.000 1.099 354 S CA -0.683 57.303 58.200 -0.356 0.000 1.070 354 S CB 0.467 63.574 63.200 -0.154 0.000 0.998 354 S HN 0.642 nan 8.310 nan 0.000 0.474 355 Y N 4.610 124.787 120.300 -0.204 0.000 2.341 355 Y HA 0.574 5.124 4.550 0.000 0.000 0.337 355 Y C 0.567 176.352 175.900 -0.191 0.000 1.014 355 Y CA -0.575 57.416 58.100 -0.181 0.000 1.111 355 Y CB 0.966 39.280 38.460 -0.242 0.000 1.194 355 Y HN 0.953 nan 8.280 nan 0.000 0.462 356 R N 3.193 123.130 120.500 -0.938 0.000 3.333 356 R HA -0.189 4.151 4.340 0.000 0.000 0.256 356 R C -0.915 175.236 176.300 -0.249 0.000 1.010 356 R CA 0.671 56.320 56.100 -0.751 0.000 0.680 356 R CB -1.505 27.984 30.300 -1.352 0.000 1.102 356 R HN 0.817 nan 8.270 nan 0.000 0.440 357 A N -0.081 122.663 122.820 -0.127 0.000 2.511 357 A HA 0.402 4.722 4.320 0.000 0.000 0.242 357 A C 1.664 179.203 177.584 -0.074 0.000 1.069 357 A CA 0.292 52.293 52.037 -0.060 0.000 0.763 357 A CB 0.412 19.395 19.000 -0.029 0.000 1.001 357 A HN 0.594 nan 8.150 nan 0.000 0.498 358 G N 0.655 109.330 108.800 -0.209 0.000 2.471 358 G HA2 -0.024 3.936 3.960 0.000 0.000 0.219 358 G HA3 -0.024 3.936 3.960 0.000 0.000 0.219 358 G C 0.926 175.768 174.900 -0.096 0.000 1.125 358 G CA 1.292 46.094 45.100 -0.497 0.000 0.775 358 G HN 0.858 nan 8.290 nan 0.000 0.548 359 E N -1.257 118.908 120.200 -0.058 0.000 3.419 359 E HA 0.346 4.696 4.350 0.000 0.000 0.273 359 E C -0.176 176.439 176.600 0.026 0.000 0.962 359 E CA -0.331 56.028 56.400 -0.068 0.000 1.015 359 E CB 0.596 30.103 29.700 -0.322 0.000 2.979 359 E HN 0.186 nan 8.360 nan 0.000 0.568 360 S N -0.811 114.854 115.700 -0.058 0.000 2.607 360 S HA 0.448 4.918 4.470 0.000 0.000 0.303 360 S C 0.543 175.114 174.600 -0.049 0.000 1.086 360 S CA -0.332 57.844 58.200 -0.040 0.000 0.995 360 S CB 1.594 64.750 63.200 -0.073 0.000 1.084 360 S HN 0.569 nan 8.310 nan 0.000 0.507 361 G N 0.785 109.524 108.800 -0.101 0.000 2.484 361 G HA2 0.036 3.996 3.960 0.000 0.000 0.215 361 G HA3 0.036 3.996 3.960 0.000 0.000 0.215 361 G C 0.432 175.319 174.900 -0.021 0.000 1.219 361 G CA 1.447 46.484 45.100 -0.106 0.000 0.791 361 G HN 0.999 nan 8.290 nan 0.000 0.550 362 V N -2.242 117.590 119.914 -0.137 0.000 2.656 362 V HA 0.831 4.951 4.120 0.000 0.000 0.307 362 V C -0.984 175.124 176.094 0.024 0.000 1.051 362 V CA -1.144 61.185 62.300 0.049 0.000 0.893 362 V CB 2.019 33.964 31.823 0.202 0.000 0.999 362 V HN 0.366 nan 8.190 nan 0.000 0.426 363 K N 3.103 123.569 120.400 0.110 0.000 2.513 363 K HA 0.684 5.004 4.320 0.000 0.000 0.251 363 K C -0.747 175.971 176.600 0.197 0.000 0.939 363 K CA -0.100 56.217 56.287 0.050 0.000 0.793 363 K CB 2.369 34.839 32.500 -0.050 0.000 1.241 363 K HN 1.055 nan 8.250 nan 0.000 0.431 364 T N 0.382 114.993 114.554 0.096 0.000 2.767 364 T HA 0.370 4.721 4.350 0.000 0.000 0.284 364 T C -0.227 174.595 174.700 0.204 0.000 0.973 364 T CA -0.689 61.545 62.100 0.224 0.000 0.996 364 T CB 0.230 69.158 68.868 0.100 0.000 0.927 364 T HN 0.422 nan 8.240 nan 0.000 0.456 365 W N 2.228 123.566 121.300 0.062 0.000 2.112 365 W HA 0.427 5.088 4.660 0.000 0.000 0.349 365 W C 0.589 177.116 176.519 0.013 0.000 1.289 365 W CA -0.036 57.320 57.345 0.019 0.000 1.256 365 W CB 0.338 29.805 29.460 0.010 0.000 1.148 365 W HN 0.659 nan 8.180 nan 0.000 0.590 366 Q N 0.964 120.848 119.800 0.139 0.000 2.351 366 Q HA 0.666 5.006 4.340 0.000 0.000 0.273 366 Q C 0.495 176.568 176.000 0.122 0.000 1.077 366 Q CA -0.103 55.754 55.803 0.090 0.000 0.843 366 Q CB 1.765 30.506 28.738 0.006 0.000 1.367 366 Q HN 0.742 nan 8.270 nan 0.000 0.449 367 G N 0.269 109.124 108.800 0.092 0.000 2.692 367 G HA2 -0.246 3.715 3.960 0.000 0.000 0.248 367 G HA3 -0.246 3.715 3.960 0.000 0.000 0.248 367 G C -0.697 174.263 174.900 0.100 0.000 1.340 367 G CA -0.325 44.825 45.100 0.084 0.000 0.896 367 G HN 0.606 nan 8.290 nan 0.000 0.570 368 T N 0.297 114.897 114.554 0.077 0.000 2.780 368 T HA 0.501 4.851 4.350 0.000 0.000 0.294 368 T C 0.150 174.888 174.700 0.063 0.000 0.949 368 T CA -0.127 62.008 62.100 0.058 0.000 1.074 368 T CB 1.587 70.480 68.868 0.042 0.000 0.910 368 T HN 0.902 nan 8.240 nan 0.000 0.501 369 V N 3.867 123.799 119.914 0.030 0.000 2.407 369 V HA 0.671 4.791 4.120 0.000 0.000 0.291 369 V C 0.958 177.032 176.094 -0.034 0.000 1.018 369 V CA 0.455 62.758 62.300 0.005 0.000 0.842 369 V CB 0.599 32.386 31.823 -0.060 0.000 0.996 369 V HN 1.236 nan 8.190 nan 0.000 0.426 370 G N 5.424 114.212 108.800 -0.021 0.000 2.536 370 G HA2 -0.276 3.685 3.960 0.000 0.000 0.277 370 G HA3 -0.276 3.685 3.960 0.000 0.000 0.277 370 G C 0.699 175.589 174.900 -0.016 0.000 1.155 370 G CA 0.583 45.666 45.100 -0.028 0.000 0.960 370 G HN 1.526 nan 8.290 nan 0.000 0.544 371 S N -0.846 114.840 115.700 -0.024 0.000 2.730 371 S HA 0.621 5.091 4.470 0.000 0.000 0.244 371 S C 0.316 174.906 174.600 -0.017 0.000 1.022 371 S CA 1.163 59.356 58.200 -0.013 0.000 1.014 371 S CB 1.010 64.203 63.200 -0.011 0.000 0.963 371 S HN 1.311 nan 8.310 nan 0.000 0.540 372 T N 1.149 115.683 114.554 -0.034 0.000 2.838 372 T HA 0.526 4.876 4.350 0.000 0.000 0.292 372 T C -0.696 173.976 174.700 -0.047 0.000 1.113 372 T CA -0.224 61.849 62.100 -0.046 0.000 1.008 372 T CB 1.892 70.705 68.868 -0.092 0.000 1.259 372 T HN 0.146 nan 8.240 nan 0.000 0.520 373 T N 0.813 115.339 114.554 -0.048 0.000 2.919 373 T HA 0.317 4.667 4.350 0.000 0.000 0.302 373 T C 1.189 175.828 174.700 -0.102 0.000 1.031 373 T CA 0.356 62.444 62.100 -0.019 0.000 1.127 373 T CB 0.276 69.186 68.868 0.070 0.000 0.952 373 T HN 0.667 nan 8.240 nan 0.000 0.540 374 S N 3.743 119.437 115.700 -0.011 0.000 2.578 374 S HA 0.303 4.773 4.470 0.000 0.000 0.231 374 S C 0.637 175.286 174.600 0.081 0.000 0.994 374 S CA -0.707 57.482 58.200 -0.019 0.000 0.956 374 S CB 0.082 63.319 63.200 0.061 0.000 0.870 374 S HN 0.721 nan 8.310 nan 0.000 0.494 375 R N 1.438 122.007 120.500 0.116 0.000 2.863 375 R HA 0.408 4.748 4.340 0.000 0.000 0.273 375 R C -0.782 175.669 176.300 0.252 0.000 1.057 375 R CA 0.101 56.301 56.100 0.167 0.000 1.191 375 R CB 0.069 30.456 30.300 0.144 0.000 1.104 375 R HN 0.377 nan 8.270 nan 0.000 0.519 376 N N -0.590 118.199 118.700 0.148 0.000 2.242 376 N HA 0.376 5.116 4.740 0.000 0.000 0.292 376 N C -1.697 173.831 175.510 0.031 0.000 1.125 376 N CA -0.623 52.584 53.050 0.262 0.000 0.783 376 N CB 1.500 40.150 38.487 0.272 0.000 1.558 376 N HN 0.365 nan 8.380 nan 0.000 0.472 377 Y N -0.172 120.302 120.300 0.290 0.000 2.581 377 Y HA 0.429 4.979 4.550 0.000 0.000 0.345 377 Y C -0.004 175.957 175.900 0.101 0.000 1.036 377 Y CA -0.992 57.160 58.100 0.088 0.000 1.042 377 Y CB 1.474 39.900 38.460 -0.056 0.000 1.289 377 Y HN 0.466 nan 8.280 nan 0.000 0.471 378 N N 1.157 119.987 118.700 0.217 0.000 2.714 378 N HA -0.204 4.536 4.740 0.000 0.000 0.252 378 N C -1.371 174.192 175.510 0.090 0.000 1.014 378 N CA 0.864 54.013 53.050 0.165 0.000 0.735 378 N CB -1.030 37.526 38.487 0.115 0.000 0.924 378 N HN 0.507 nan 8.380 nan 0.000 0.540 379 L N 0.132 121.448 121.223 0.155 0.000 2.334 379 L HA 0.366 4.707 4.340 0.000 0.000 0.270 379 L C 0.819 177.413 176.870 -0.461 0.000 1.018 379 L CA -0.739 53.892 54.840 -0.349 0.000 0.811 379 L CB 1.388 42.995 42.059 -0.752 0.000 1.271 379 L HN -0.013 nan 8.230 nan 0.000 0.443 380 Q N 1.042 120.451 119.800 -0.651 0.000 2.230 380 Q HA 0.496 4.836 4.340 0.000 0.000 0.253 380 Q C -1.660 173.858 176.000 -0.804 0.000 0.919 380 Q CA -0.334 55.199 55.803 -0.450 0.000 0.908 380 Q CB 1.979 30.603 28.738 -0.190 0.000 1.245 380 Q HN 0.312 nan 8.270 nan 0.000 0.437 381 F N 2.098 122.038 119.950 -0.016 0.000 2.824 381 F HA 0.431 4.958 4.527 0.000 0.000 0.375 381 F C -0.284 175.522 175.800 0.011 0.000 1.190 381 F CA -0.513 57.497 58.000 0.017 0.000 1.180 381 F CB 0.983 39.982 39.000 -0.002 0.000 1.477 381 F HN 0.269 nan 8.300 nan 0.000 0.542 382 R N 0.312 120.906 120.500 0.157 0.000 2.836 382 R HA 0.424 4.764 4.340 0.000 0.000 0.269 382 R C -0.895 175.479 176.300 0.124 0.000 1.010 382 R CA -1.229 54.931 56.100 0.099 0.000 0.930 382 R CB 1.512 31.848 30.300 0.060 0.000 1.218 382 R HN 0.311 nan 8.270 nan 0.000 0.473 383 D N 0.416 120.865 120.400 0.082 0.000 2.702 383 D HA -0.158 4.482 4.640 0.000 0.000 0.233 383 D C -0.884 175.506 176.300 0.149 0.000 1.164 383 D CA 1.216 55.269 54.000 0.089 0.000 0.638 383 D CB -0.819 40.025 40.800 0.074 0.000 1.041 383 D HN 0.352 nan 8.370 nan 0.000 0.422 384 S N -1.043 114.784 115.700 0.211 0.000 2.607 384 S HA 0.743 5.213 4.470 0.000 0.000 0.303 384 S C 0.032 174.831 174.600 0.331 0.000 1.086 384 S CA -0.767 57.627 58.200 0.324 0.000 0.995 384 S CB 3.062 66.584 63.200 0.537 0.000 1.084 384 S HN 0.016 nan 8.310 nan 0.000 0.507 385 V N 2.066 122.122 119.914 0.237 0.000 2.588 385 V HA 0.598 4.718 4.120 0.000 0.000 0.304 385 V C -0.953 175.172 176.094 0.053 0.000 1.042 385 V CA -0.581 61.811 62.300 0.154 0.000 0.877 385 V CB 1.822 33.672 31.823 0.046 0.000 0.996 385 V HN 0.653 nan 8.190 nan 0.000 0.425 386 V N 6.216 126.160 119.914 0.050 0.000 2.483 386 V HA 0.586 4.707 4.120 0.000 0.000 0.297 386 V C -0.448 175.610 176.094 -0.061 0.000 1.027 386 V CA -0.447 61.800 62.300 -0.087 0.000 0.855 386 V CB 1.738 33.398 31.823 -0.272 0.000 0.995 386 V HN 0.800 nan 8.190 nan 0.000 0.424 387 I N 1.467 122.001 120.570 -0.060 0.000 2.545 387 I HA 0.639 4.809 4.170 0.000 0.000 0.292 387 I C -0.432 175.663 176.117 -0.038 0.000 1.040 387 I CA -1.058 60.161 61.300 -0.134 0.000 1.068 387 I CB 1.630 39.605 38.000 -0.041 0.000 1.251 387 I HN 0.626 nan 8.210 nan 0.000 0.424 388 Y N 2.090 122.434 120.300 0.074 0.000 3.389 388 Y HA -0.138 4.413 4.550 0.000 0.000 0.213 388 Y C -2.221 173.806 175.900 0.211 0.000 1.272 388 Y CA -0.095 58.083 58.100 0.129 0.000 1.444 388 Y CB -2.190 36.147 38.460 -0.204 0.000 1.445 388 Y HN 0.552 nan 8.280 nan 0.000 0.583 389 P HA 0.200 nan 4.420 nan 0.000 0.278 389 P C 0.993 178.409 177.300 0.193 0.000 1.238 389 P CA -0.184 63.015 63.100 0.165 0.000 0.794 389 P CB 2.065 33.798 31.700 0.056 0.000 0.955 390 V N 0.856 120.867 119.914 0.162 0.000 2.626 390 V HA -0.139 3.981 4.120 0.000 0.000 0.252 390 V C 1.215 177.148 176.094 -0.267 0.000 1.067 390 V CA 1.781 64.030 62.300 -0.086 0.000 1.081 390 V CB -0.995 30.927 31.823 0.165 0.000 0.686 390 V HN 0.595 nan 8.190 nan 0.000 0.468 391 W N -1.024 120.178 121.300 -0.165 0.000 4.319 391 W HA 0.359 5.019 4.660 0.000 0.000 0.636 391 W C 0.184 176.625 176.519 -0.129 0.000 3.336 391 W CA -0.190 57.049 57.345 -0.177 0.000 1.129 391 W CB -0.513 28.841 29.460 -0.176 0.000 2.272 391 W HN -0.100 nan 8.180 nan 0.000 0.401 392 D N -0.524 119.981 120.400 0.174 0.000 2.268 392 D HA 0.335 4.975 4.640 0.000 0.000 0.249 392 D C 1.047 177.359 176.300 0.021 0.000 1.008 392 D CA -0.068 53.976 54.000 0.074 0.000 0.939 392 D CB 1.219 42.051 40.800 0.054 0.000 1.170 392 D HN 0.273 nan 8.370 nan 0.000 0.468 393 G N 0.042 108.869 108.800 0.046 0.000 2.454 393 G HA2 -0.045 3.915 3.960 0.000 0.000 0.214 393 G HA3 -0.045 3.915 3.960 0.000 0.000 0.214 393 G C -0.050 174.692 174.900 -0.263 0.000 1.217 393 G CA 0.463 45.539 45.100 -0.041 0.000 0.799 393 G HN 0.360 nan 8.290 nan 0.000 0.538 394 F N 0.259 120.264 119.950 0.093 0.000 2.493 394 F HA 0.439 4.966 4.527 0.000 0.000 0.329 394 F C -1.005 174.711 175.800 -0.140 0.000 1.126 394 F CA -1.261 56.747 58.000 0.012 0.000 0.937 394 F CB 2.356 41.438 39.000 0.135 0.000 1.146 394 F HN -0.032 nan 8.300 nan 0.000 0.442 395 D N 4.719 125.095 120.400 -0.039 0.000 2.458 395 D HA 0.297 4.937 4.640 0.000 0.000 0.258 395 D C -0.286 175.916 176.300 -0.164 0.000 1.134 395 D CA -0.100 53.831 54.000 -0.115 0.000 0.915 395 D CB 0.479 41.205 40.800 -0.123 0.000 1.028 395 D HN 0.534 nan 8.370 nan 0.000 0.508 396 L N 2.342 123.423 121.223 -0.238 0.000 2.848 396 L HA 0.435 4.775 4.340 0.000 0.000 0.240 396 L C 1.285 178.097 176.870 -0.096 0.000 1.232 396 L CA -0.646 54.038 54.840 -0.259 0.000 1.031 396 L CB 0.445 42.272 42.059 -0.386 0.000 1.338 396 L HN 0.272 nan 8.230 nan 0.000 0.509 397 G N -0.692 108.069 108.800 -0.064 0.000 2.528 397 G HA2 0.488 4.448 3.960 0.000 0.000 0.289 397 G HA3 0.488 4.448 3.960 0.000 0.000 0.289 397 G C 0.495 175.416 174.900 0.035 0.000 1.192 397 G CA 0.417 45.523 45.100 0.010 0.000 0.921 397 G HN 0.223 nan 8.290 nan 0.000 0.512 398 A N -0.405 122.450 122.820 0.057 0.000 2.009 398 A HA 0.359 4.679 4.320 0.000 0.000 0.197 398 A C 0.537 178.151 177.584 0.051 0.000 1.471 398 A CA 0.233 52.296 52.037 0.043 0.000 0.973 398 A CB 0.516 19.505 19.000 -0.019 0.000 1.020 398 A HN 0.494 nan 8.150 nan 0.000 0.476 399 D N 0.058 120.492 120.400 0.057 0.000 2.163 399 D HA 0.528 5.168 4.640 0.000 0.000 0.248 399 D C -0.502 175.819 176.300 0.035 0.000 1.035 399 D CA 0.379 54.363 54.000 -0.026 0.000 0.872 399 D CB 1.841 42.496 40.800 -0.241 0.000 1.183 399 D HN 0.088 nan 8.370 nan 0.000 0.445 408 R N 0.064 120.614 120.500 0.082 0.000 2.607 408 R HA 0.460 4.801 4.340 0.000 0.000 0.278 408 R C -2.614 173.741 176.300 0.093 0.000 1.637 408 R CA -1.544 54.614 56.100 0.096 0.000 1.325 408 R CB 1.670 32.054 30.300 0.141 0.000 1.211 408 R HN 0.195 nan 8.270 nan 0.000 0.565 409 P HA -0.001 nan 4.420 nan 0.000 0.265 409 P C 0.942 178.281 177.300 0.066 0.000 1.193 409 P CA 0.838 63.972 63.100 0.057 0.000 0.765 409 P CB 0.868 32.590 31.700 0.037 0.000 0.823 410 G N 0.941 109.784 108.800 0.072 0.000 2.179 410 G HA2 -0.195 3.765 3.960 0.000 0.000 0.260 410 G HA3 -0.195 3.765 3.960 0.000 0.000 0.260 410 G C 0.080 175.078 174.900 0.163 0.000 0.977 410 G CA 0.341 45.495 45.100 0.091 0.000 0.641 410 G HN 0.631 nan 8.290 nan 0.000 0.533 411 D N -1.690 118.795 120.400 0.142 0.000 2.758 411 D HA 0.534 5.174 4.640 0.000 0.000 0.279 411 D C -0.311 176.045 176.300 0.093 0.000 1.111 411 D CA -0.725 53.358 54.000 0.140 0.000 1.109 411 D CB 0.711 41.663 40.800 0.254 0.000 1.428 411 D HN -0.080 nan 8.370 nan 0.000 0.586 412 Y N 1.047 121.486 120.300 0.232 0.000 2.511 412 Y HA 0.187 4.737 4.550 0.000 0.000 0.332 412 Y C -1.377 174.635 175.900 0.186 0.000 1.177 412 Y CA -1.006 57.231 58.100 0.230 0.000 1.422 412 Y CB -0.056 38.647 38.460 0.405 0.000 1.271 412 Y HN -0.005 nan 8.280 nan 0.000 0.550 413 P HA 0.130 nan 4.420 nan 0.000 0.274 413 P C 0.702 178.094 177.300 0.154 0.000 1.237 413 P CA -0.130 63.075 63.100 0.175 0.000 0.793 413 P CB 1.252 33.018 31.700 0.111 0.000 0.977 414 I N 0.977 121.611 120.570 0.107 0.000 2.454 414 I HA -0.202 3.969 4.170 0.000 0.000 0.254 414 I C 2.137 178.277 176.117 0.039 0.000 1.156 414 I CA 1.944 63.292 61.300 0.080 0.000 1.433 414 I CB -0.702 37.330 38.000 0.054 0.000 1.082 414 I HN 0.461 nan 8.210 nan 0.000 0.432 415 T N -2.140 112.426 114.554 0.021 0.000 3.007 415 T HA -0.211 4.139 4.350 0.000 0.000 0.270 415 T C 1.628 176.286 174.700 -0.070 0.000 1.107 415 T CA 1.011 63.102 62.100 -0.015 0.000 1.118 415 T CB -0.056 68.806 68.868 -0.010 0.000 0.889 415 T HN 0.439 nan 8.240 nan 0.000 0.506 416 Q N -0.383 119.357 119.800 -0.100 0.000 2.274 416 Q HA 0.169 4.509 4.340 0.000 0.000 0.198 416 Q C -0.570 175.129 176.000 -0.502 0.000 0.955 416 Q CA 0.297 55.906 55.803 -0.323 0.000 0.859 416 Q CB 0.501 29.030 28.738 -0.348 0.000 0.956 416 Q HN 0.612 nan 8.270 nan 0.000 0.516 417 Y N 0.820 121.112 120.300 -0.015 0.000 2.326 417 Y HA 0.455 5.005 4.550 0.000 0.000 0.329 417 Y C -2.270 173.637 175.900 0.013 0.000 0.973 417 Y CA -3.093 54.995 58.100 -0.019 0.000 1.162 417 Y CB 1.553 39.991 38.460 -0.035 0.000 1.147 417 Y HN 0.187 nan 8.280 nan 0.000 0.456 418 P HA 0.030 nan 4.420 nan 0.000 0.271 418 P C -0.047 177.293 177.300 0.067 0.000 1.244 418 P CA -0.410 62.732 63.100 0.071 0.000 0.793 418 P CB 0.820 32.541 31.700 0.035 0.000 0.984 419 L N 2.522 123.748 121.223 0.005 0.000 2.559 419 L HA -0.110 4.230 4.340 0.000 0.000 0.282 419 L C 0.994 177.823 176.870 -0.068 0.000 1.232 419 L CA 0.696 55.464 54.840 -0.120 0.000 0.885 419 L CB -0.447 41.491 42.059 -0.201 0.000 1.131 419 L HN 0.698 nan 8.230 nan 0.000 0.498 420 H N 1.673 120.780 119.070 0.061 0.000 3.395 420 H HA -0.184 4.372 4.556 0.000 0.000 0.222 420 H C 0.366 175.721 175.328 0.046 0.000 1.099 420 H CA 1.199 57.275 56.048 0.047 0.000 1.182 420 H CB -1.022 28.764 29.762 0.039 0.000 1.188 420 H HN 0.681 nan 8.280 nan 0.000 0.317 421 Q N 0.406 120.286 119.800 0.132 0.000 2.182 421 Q HA 0.347 4.687 4.340 0.000 0.000 0.270 421 Q C 0.294 176.321 176.000 0.045 0.000 0.861 421 Q CA -0.204 55.671 55.803 0.119 0.000 1.098 421 Q CB 0.991 29.815 28.738 0.144 0.000 1.188 421 Q HN 0.269 nan 8.270 nan 0.000 0.464 422 L N 2.934 124.148 121.223 -0.015 0.000 2.397 422 L HA 0.199 4.539 4.340 0.000 0.000 0.271 422 L C -1.663 175.082 176.870 -0.209 0.000 1.148 422 L CA -1.635 53.104 54.840 -0.168 0.000 0.825 422 L CB 0.439 42.508 42.059 0.017 0.000 1.117 422 L HN -0.030 nan 8.230 nan 0.000 0.456 423 P HA 0.065 nan 4.420 nan 0.000 0.226 423 P C 0.912 178.223 177.300 0.018 0.000 1.783 423 P CA -0.004 62.972 63.100 -0.207 0.000 0.980 423 P CB 0.084 31.577 31.700 -0.346 0.000 1.967 424 L N 0.733 121.922 121.223 -0.056 0.000 2.043 424 L HA -0.223 4.118 4.340 0.000 0.000 0.212 424 L C 0.994 177.715 176.870 -0.247 0.000 1.075 424 L CA 1.323 56.025 54.840 -0.231 0.000 0.752 424 L CB -1.269 40.519 42.059 -0.451 0.000 0.891 424 L HN 0.261 nan 8.230 nan 0.000 0.432 425 N N -2.235 116.381 118.700 -0.140 0.000 2.708 425 N HA -0.185 4.555 4.740 0.000 0.000 0.251 425 N C -0.254 175.257 175.510 0.001 0.000 1.123 425 N CA 0.115 53.142 53.050 -0.040 0.000 0.739 425 N CB -0.820 37.687 38.487 0.034 0.000 1.113 425 N HN 0.405 nan 8.380 nan 0.000 0.561 426 H N 0.312 119.451 119.070 0.116 0.000 2.771 426 H HA 0.183 4.740 4.556 0.000 0.000 0.364 426 H C 0.328 175.725 175.328 0.114 0.000 1.133 426 H CA 0.060 56.191 56.048 0.138 0.000 1.423 426 H CB 0.644 30.578 29.762 0.287 0.000 1.425 426 H HN 0.100 nan 8.280 nan 0.000 0.606 427 L N 4.040 125.392 121.223 0.214 0.000 2.272 427 L HA 0.319 4.659 4.340 0.000 0.000 0.284 427 L C -0.713 176.247 176.870 0.150 0.000 1.045 427 L CA 0.065 54.978 54.840 0.123 0.000 0.842 427 L CB -0.471 41.617 42.059 0.049 0.000 1.224 427 L HN 0.384 nan 8.230 nan 0.000 0.430 428 I N 4.416 125.088 120.570 0.170 0.000 2.362 428 I HA 0.486 4.656 4.170 0.000 0.000 0.289 428 I C -0.897 175.253 176.117 0.056 0.000 0.994 428 I CA -0.429 60.968 61.300 0.162 0.000 1.158 428 I CB 1.697 39.838 38.000 0.234 0.000 1.315 428 I HN 0.555 nan 8.210 nan 0.000 0.451 429 D N 5.392 125.800 120.400 0.014 0.000 2.769 429 D HA 0.167 4.807 4.640 0.000 0.000 0.219 429 D C -0.417 175.857 176.300 -0.044 0.000 1.245 429 D CA -0.394 53.592 54.000 -0.024 0.000 0.801 429 D CB 1.228 42.029 40.800 0.000 0.000 1.598 429 D HN 0.582 nan 8.370 nan 0.000 0.485 430 N N 2.411 121.072 118.700 -0.066 0.000 2.648 430 N HA -0.166 4.574 4.740 0.000 0.000 0.265 430 N C -1.288 174.185 175.510 -0.063 0.000 1.100 430 N CA 0.346 53.364 53.050 -0.053 0.000 0.715 430 N CB -0.517 37.961 38.487 -0.014 0.000 0.881 430 N HN 0.390 nan 8.380 nan 0.000 0.548 431 L N 1.696 122.833 121.223 -0.143 0.000 2.346 431 L HA 0.675 5.015 4.340 0.000 0.000 0.274 431 L C -0.189 176.643 176.870 -0.064 0.000 1.007 431 L CA -0.957 53.791 54.840 -0.152 0.000 0.818 431 L CB 1.802 43.550 42.059 -0.518 0.000 1.284 431 L HN 0.137 nan 8.230 nan 0.000 0.424 432 L N 3.152 124.422 121.223 0.078 0.000 2.362 432 L HA 0.742 5.082 4.340 0.000 0.000 0.275 432 L C -1.115 175.859 176.870 0.173 0.000 0.998 432 L CA -0.316 54.572 54.840 0.081 0.000 0.820 432 L CB 2.033 44.124 42.059 0.053 0.000 1.270 432 L HN 0.284 nan 8.230 nan 0.000 0.415 433 V N 5.400 125.391 119.914 0.127 0.000 2.638 433 V HA 0.679 4.799 4.120 0.000 0.000 0.306 433 V C -0.550 175.554 176.094 0.017 0.000 1.052 433 V CA -0.641 61.733 62.300 0.124 0.000 0.885 433 V CB 1.865 33.815 31.823 0.210 0.000 0.999 433 V HN 0.827 nan 8.190 nan 0.000 0.424 434 R N 2.703 123.158 120.500 -0.075 0.000 2.564 434 R HA 0.578 4.918 4.340 0.000 0.000 0.284 434 R C 0.556 176.628 176.300 -0.380 0.000 1.031 434 R CA 0.320 56.317 56.100 -0.171 0.000 0.904 434 R CB 1.826 32.020 30.300 -0.177 0.000 1.199 434 R HN 1.162 nan 8.270 nan 0.000 0.443 435 G N 1.965 110.628 108.800 -0.229 0.000 2.147 435 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 435 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 435 G C 0.044 175.073 174.900 0.215 0.000 1.005 435 G CA 0.193 45.218 45.100 -0.126 0.000 0.713 435 G HN 0.856 nan 8.290 nan 0.000 0.515 436 A N -0.702 122.183 122.820 0.108 0.000 2.477 436 A HA 0.651 4.971 4.320 0.000 0.000 0.246 436 A C 1.383 178.969 177.584 0.003 0.000 1.078 436 A CA 0.579 52.681 52.037 0.108 0.000 0.770 436 A CB 0.553 19.580 19.000 0.044 0.000 1.011 436 A HN 1.218 nan 8.150 nan 0.000 0.494 437 L N 2.868 123.916 121.223 -0.292 0.000 2.341 437 L HA 0.217 4.557 4.340 0.000 0.000 0.214 437 L C 1.471 178.181 176.870 -0.267 0.000 1.115 437 L CA 2.058 56.521 54.840 -0.629 0.000 0.820 437 L CB -0.672 40.599 42.059 -1.312 0.000 0.944 437 L HN 0.786 nan 8.230 nan 0.000 0.452 438 G N -1.470 107.195 108.800 -0.224 0.000 3.365 438 G HA2 0.390 4.350 3.960 0.000 0.000 0.185 438 G HA3 0.390 4.350 3.960 0.000 0.000 0.185 438 G C -0.816 174.062 174.900 -0.038 0.000 1.565 438 G CA -0.084 44.922 45.100 -0.157 0.000 0.984 438 G HN -0.118 nan 8.290 nan 0.000 0.604 439 V N 1.117 121.028 119.914 -0.005 0.000 2.439 439 V HA 0.480 4.600 4.120 0.000 0.000 0.282 439 V C 1.607 177.756 176.094 0.091 0.000 1.039 439 V CA 0.276 62.601 62.300 0.042 0.000 0.913 439 V CB 1.025 32.867 31.823 0.032 0.000 0.983 439 V HN 0.793 nan 8.190 nan 0.000 0.460 440 G N 3.806 112.682 108.800 0.127 0.000 2.484 440 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 440 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 440 G C 0.140 175.237 174.900 0.329 0.000 1.219 440 G CA 0.977 46.191 45.100 0.188 0.000 0.791 440 G HN 0.495 nan 8.290 nan 0.000 0.550 441 F N 0.806 120.837 119.950 0.135 0.000 2.536 441 F HA 0.658 5.186 4.527 0.000 0.000 0.322 441 F C -0.070 175.809 175.800 0.132 0.000 1.144 441 F CA -0.928 57.166 58.000 0.157 0.000 0.924 441 F CB 1.824 40.886 39.000 0.103 0.000 1.181 441 F HN 0.257 nan 8.300 nan 0.000 0.438 442 G N 6.927 115.515 108.800 -0.353 0.000 2.620 442 G HA2 0.736 4.696 3.960 0.000 0.000 0.301 442 G HA3 0.736 4.696 3.960 0.000 0.000 0.301 442 G C -1.517 173.148 174.900 -0.392 0.000 1.347 442 G CA -0.867 44.093 45.100 -0.233 0.000 0.971 442 G HN 0.928 nan 8.290 nan 0.000 0.488 443 M N 0.354 119.820 119.600 -0.222 0.000 3.196 443 M HA 0.682 5.162 4.480 0.000 0.000 0.279 443 M C -2.286 173.996 176.300 -0.031 0.000 1.173 443 M CA -0.991 54.216 55.300 -0.156 0.000 0.820 443 M CB 2.286 34.750 32.600 -0.227 0.000 1.621 443 M HN 0.573 nan 8.290 nan 0.000 0.521 444 D N -0.661 119.753 120.400 0.022 0.000 2.664 444 D HA 0.927 5.567 4.640 0.000 0.000 0.292 444 D C -0.237 176.105 176.300 0.070 0.000 1.214 444 D CA 0.269 54.309 54.000 0.066 0.000 0.932 444 D CB 1.554 42.457 40.800 0.173 0.000 1.420 444 D HN 1.338 nan 8.370 nan 0.000 0.471 445 G N -0.975 107.875 108.800 0.084 0.000 2.347 445 G HA2 0.343 4.303 3.960 0.000 0.000 0.477 445 G HA3 0.343 4.303 3.960 0.000 0.000 0.477 445 G C -1.727 173.202 174.900 0.048 0.000 1.349 445 G CA -0.572 44.553 45.100 0.042 0.000 1.000 445 G HN 0.655 nan 8.290 nan 0.000 0.605 446 K N -0.463 119.945 120.400 0.014 0.000 2.375 446 K HA 0.610 4.930 4.320 0.000 0.000 0.249 446 K C 0.874 177.448 176.600 -0.044 0.000 0.942 446 K CA 0.116 56.416 56.287 0.022 0.000 0.806 446 K CB 1.501 34.049 32.500 0.080 0.000 1.227 446 K HN 2.430 nan 8.250 nan 0.000 0.430 447 G N 3.828 112.574 108.800 -0.090 0.000 2.323 447 G HA2 -0.214 3.746 3.960 0.000 0.000 0.292 447 G HA3 -0.214 3.746 3.960 0.000 0.000 0.292 447 G C -0.087 174.739 174.900 -0.125 0.000 1.040 447 G CA 0.402 45.429 45.100 -0.121 0.000 0.942 447 G HN 0.322 nan 8.290 nan 0.000 0.506 448 M N -0.919 118.564 119.600 -0.196 0.000 2.342 448 M HA 0.537 5.018 4.480 0.000 0.000 0.332 448 M C -0.231 175.860 176.300 -0.348 0.000 1.166 448 M CA -0.624 54.577 55.300 -0.164 0.000 1.086 448 M CB 1.214 33.731 32.600 -0.138 0.000 1.541 448 M HN 0.119 nan 8.290 nan 0.000 0.462 449 Y N 0.551 120.744 120.300 -0.177 0.000 2.331 449 Y HA 0.544 5.095 4.550 0.000 0.000 0.334 449 Y C -0.339 175.460 175.900 -0.167 0.000 0.960 449 Y CA -0.613 57.367 58.100 -0.198 0.000 1.130 449 Y CB 1.709 40.097 38.460 -0.120 0.000 1.164 449 Y HN 0.322 nan 8.280 nan 0.000 0.458 450 V N 3.382 123.209 119.914 -0.146 0.000 2.604 450 V HA 0.741 4.861 4.120 0.000 0.000 0.305 450 V C -0.742 175.351 176.094 -0.001 0.000 1.043 450 V CA -0.765 61.510 62.300 -0.042 0.000 0.888 450 V CB 1.976 33.798 31.823 -0.002 0.000 0.995 450 V HN 0.778 nan 8.190 nan 0.000 0.429 451 S N 1.957 117.657 115.700 0.000 0.000 2.564 451 S HA 0.581 5.051 4.470 0.000 0.000 0.274 451 S C -0.503 174.066 174.600 -0.051 0.000 1.124 451 S CA -0.916 57.280 58.200 -0.007 0.000 0.869 451 S CB 1.296 64.501 63.200 0.009 0.000 1.105 451 S HN 0.901 nan 8.310 nan 0.000 0.472 452 N N 0.403 119.077 118.700 -0.045 0.000 2.671 452 N HA -0.121 4.619 4.740 0.000 0.000 0.261 452 N C -0.962 174.479 175.510 -0.115 0.000 1.053 452 N CA 0.450 53.463 53.050 -0.061 0.000 0.732 452 N CB -1.131 37.330 38.487 -0.043 0.000 0.887 452 N HN 0.574 nan 8.380 nan 0.000 0.546 453 I N 0.761 121.238 120.570 -0.155 0.000 2.377 453 I HA 0.314 4.484 4.170 0.000 0.000 0.293 453 I C 0.654 176.681 176.117 -0.150 0.000 0.987 453 I CA -0.090 61.060 61.300 -0.249 0.000 1.185 453 I CB 1.443 39.169 38.000 -0.457 0.000 1.341 453 I HN 0.037 nan 8.210 nan 0.000 0.455 454 T N 5.793 120.278 114.554 -0.114 0.000 2.815 454 T HA 0.585 4.935 4.350 0.000 0.000 0.289 454 T C -0.242 174.441 174.700 -0.028 0.000 1.000 454 T CA -0.457 61.610 62.100 -0.056 0.000 0.958 454 T CB 1.778 70.626 68.868 -0.033 0.000 0.944 454 T HN 0.248 nan 8.240 nan 0.000 0.442 455 V N 3.910 123.817 119.914 -0.012 0.000 2.531 455 V HA 0.556 4.676 4.120 0.000 0.000 0.301 455 V C -0.362 175.739 176.094 0.012 0.000 1.034 455 V CA -0.857 61.456 62.300 0.021 0.000 0.865 455 V CB 1.794 33.645 31.823 0.047 0.000 0.995 455 V HN 0.862 nan 8.190 nan 0.000 0.424 456 E N 2.297 122.502 120.200 0.008 0.000 2.314 456 E HA 0.451 4.801 4.350 0.000 0.000 0.272 456 E C -1.023 175.578 176.600 0.001 0.000 0.884 456 E CA -0.910 55.491 56.400 0.002 0.000 0.753 456 E CB 2.012 31.709 29.700 -0.003 0.000 1.213 456 E HN 0.747 nan 8.360 nan 0.000 0.432 457 D N 1.142 121.549 120.400 0.012 0.000 2.904 457 D HA -0.186 4.455 4.640 0.000 0.000 0.231 457 D C -1.505 174.819 176.300 0.041 0.000 1.185 457 D CA 0.472 54.489 54.000 0.028 0.000 0.783 457 D CB -0.925 39.897 40.800 0.037 0.000 0.961 457 D HN 0.396 nan 8.370 nan 0.000 0.409 458 C N 0.978 120.295 119.300 0.029 0.000 2.454 458 C HA 0.869 5.329 4.460 0.000 0.000 0.336 458 C C 1.877 176.855 174.990 -0.019 0.000 1.189 458 C CA -0.103 58.933 59.018 0.030 0.000 1.877 458 C CB 1.232 28.988 27.740 0.026 0.000 2.348 458 C HN 0.646 nan 8.230 nan 0.000 0.508 459 A N 1.819 124.599 122.820 -0.066 0.000 1.935 459 A HA 0.399 4.719 4.320 0.000 0.000 0.214 459 A C 1.175 178.564 177.584 -0.325 0.000 1.178 459 A CA 1.305 53.185 52.037 -0.261 0.000 0.640 459 A CB -0.577 18.210 19.000 -0.354 0.000 0.825 459 A HN 1.012 nan 8.150 nan 0.000 0.447 460 G N -1.223 107.521 108.800 -0.093 0.000 2.642 460 G HA2 0.450 4.410 3.960 0.000 0.000 0.291 460 G HA3 0.450 4.410 3.960 0.000 0.000 0.291 460 G C -0.132 174.772 174.900 0.008 0.000 1.345 460 G CA -0.012 45.101 45.100 0.022 0.000 1.043 460 G HN 0.199 nan 8.290 nan 0.000 0.528 461 S N -1.124 114.600 115.700 0.040 0.000 2.558 461 S HA 0.218 4.689 4.470 0.000 0.000 0.287 461 S C 1.663 176.311 174.600 0.081 0.000 1.321 461 S CA 0.298 58.542 58.200 0.073 0.000 1.048 461 S CB 1.175 64.460 63.200 0.142 0.000 0.844 461 S HN 0.870 nan 8.310 nan 0.000 0.512 462 G N 0.860 109.709 108.800 0.082 0.000 2.430 462 G HA2 0.396 4.356 3.960 0.000 0.000 0.216 462 G HA3 0.396 4.356 3.960 0.000 0.000 0.216 462 G C 0.128 175.114 174.900 0.143 0.000 1.146 462 G CA 0.555 45.709 45.100 0.089 0.000 0.793 462 G HN 1.003 nan 8.290 nan 0.000 0.537 463 A N -1.118 121.792 122.820 0.149 0.000 2.465 463 A HA 0.585 4.905 4.320 0.000 0.000 0.292 463 A C -2.139 175.563 177.584 0.197 0.000 1.041 463 A CA -0.555 51.593 52.037 0.186 0.000 0.718 463 A CB 1.139 20.218 19.000 0.133 0.000 1.266 463 A HN 0.230 nan 8.150 nan 0.000 0.403 464 Y N 3.275 123.603 120.300 0.046 0.000 2.447 464 Y HA 0.635 5.185 4.550 0.000 0.000 0.325 464 Y C -1.207 174.692 175.900 -0.000 0.000 0.976 464 Y CA -0.770 57.369 58.100 0.065 0.000 1.280 464 Y CB 1.177 39.670 38.460 0.056 0.000 1.104 464 Y HN 0.566 nan 8.280 nan 0.000 0.486 465 L N 7.570 128.647 121.223 -0.244 0.000 2.318 465 L HA 0.410 4.750 4.340 0.000 0.000 0.277 465 L C -0.469 176.206 176.870 -0.326 0.000 1.008 465 L CA -0.522 54.179 54.840 -0.233 0.000 0.846 465 L CB 1.346 43.254 42.059 -0.251 0.000 1.220 465 L HN 0.599 nan 8.230 nan 0.000 0.423 466 L N 3.723 124.811 121.223 -0.225 0.000 2.865 466 L HA 0.246 4.586 4.340 0.000 0.000 0.233 466 L C 0.454 177.276 176.870 -0.080 0.000 1.320 466 L CA -0.151 54.546 54.840 -0.239 0.000 1.225 466 L CB -0.462 41.368 42.059 -0.381 0.000 1.542 466 L HN 0.650 nan 8.230 nan 0.000 0.432 467 T N -3.964 110.575 114.554 -0.024 0.000 2.945 467 T HA 0.548 4.898 4.350 0.000 0.000 0.286 467 T C -0.762 174.008 174.700 0.116 0.000 1.025 467 T CA -0.738 61.413 62.100 0.084 0.000 1.039 467 T CB 2.550 71.535 68.868 0.194 0.000 1.068 467 T HN 0.227 nan 8.240 nan 0.000 0.497 468 H N -0.244 118.825 119.070 -0.001 0.000 2.717 468 H HA 0.364 4.920 4.556 0.000 0.000 0.366 468 H C -0.402 174.904 175.328 -0.036 0.000 1.132 468 H CA -0.506 55.533 56.048 -0.014 0.000 1.180 468 H CB 1.205 30.969 29.762 0.003 0.000 1.678 468 H HN 0.951 nan 8.280 nan 0.000 0.537 469 E N 1.701 121.595 120.200 -0.510 0.000 2.269 469 E HA -0.152 4.199 4.350 0.000 0.000 0.223 469 E C -0.826 175.605 176.600 -0.281 0.000 1.244 469 E CA 0.978 57.141 56.400 -0.395 0.000 0.713 469 E CB -1.189 28.278 29.700 -0.389 0.000 1.178 469 E HN 0.475 nan 8.360 nan 0.000 0.370 470 S N -0.473 115.071 115.700 -0.260 0.000 2.599 470 S HA 0.637 5.107 4.470 0.000 0.000 0.294 470 S C -0.206 174.110 174.600 -0.474 0.000 1.094 470 S CA -0.824 57.133 58.200 -0.405 0.000 0.931 470 S CB 2.677 65.658 63.200 -0.365 0.000 1.093 470 S HN 0.104 nan 8.310 nan 0.000 0.488 471 V N 2.234 121.706 119.914 -0.737 0.000 2.459 471 V HA 0.570 4.690 4.120 0.000 0.000 0.295 471 V C -1.425 174.276 176.094 -0.655 0.000 1.029 471 V CA -0.544 61.424 62.300 -0.553 0.000 0.874 471 V CB 0.878 32.374 31.823 -0.544 0.000 0.985 471 V HN 0.790 nan 8.190 nan 0.000 0.438 472 F N 1.689 121.585 119.950 -0.089 0.000 2.460 472 F HA 0.584 5.111 4.527 0.000 0.000 0.341 472 F C 0.522 176.302 175.800 -0.034 0.000 1.130 472 F CA -0.407 57.565 58.000 -0.046 0.000 0.962 472 F CB 2.114 41.090 39.000 -0.041 0.000 1.171 472 F HN 0.356 nan 8.300 nan 0.000 0.436 473 T N 3.354 117.970 114.554 0.103 0.000 2.797 473 T HA 0.245 4.595 4.350 0.000 0.000 0.279 473 T C -0.072 174.655 174.700 0.044 0.000 0.991 473 T CA -0.852 61.286 62.100 0.064 0.000 0.979 473 T CB 0.976 69.872 68.868 0.046 0.000 0.943 473 T HN 0.750 nan 8.240 nan 0.000 0.444 474 N N 2.637 121.354 118.700 0.029 0.000 2.608 474 N HA -0.153 4.587 4.740 0.000 0.000 0.273 474 N C -0.935 174.572 175.510 -0.005 0.000 1.133 474 N CA 0.025 53.079 53.050 0.007 0.000 0.726 474 N CB -0.474 38.012 38.487 -0.001 0.000 0.890 474 N HN 0.405 nan 8.380 nan 0.000 0.548 475 I N 1.400 121.968 120.570 -0.003 0.000 2.441 475 I HA 0.520 4.690 4.170 0.000 0.000 0.295 475 I C 0.614 176.711 176.117 -0.032 0.000 0.994 475 I CA -0.695 60.589 61.300 -0.028 0.000 1.144 475 I CB 1.440 39.425 38.000 -0.025 0.000 1.314 475 I HN 0.346 nan 8.210 nan 0.000 0.445 476 A N 7.748 130.543 122.820 -0.040 0.000 2.311 476 A HA 0.747 5.067 4.320 0.000 0.000 0.306 476 A C -0.719 176.850 177.584 -0.025 0.000 1.189 476 A CA -0.426 51.594 52.037 -0.028 0.000 0.791 476 A CB 0.773 19.758 19.000 -0.025 0.000 1.172 476 A HN 0.484 nan 8.150 nan 0.000 0.481 477 I N 5.131 125.691 120.570 -0.017 0.000 2.464 477 I HA 0.275 4.445 4.170 0.000 0.000 0.277 477 I C -0.784 175.332 176.117 -0.001 0.000 1.040 477 I CA -0.298 60.998 61.300 -0.006 0.000 1.153 477 I CB 0.812 38.809 38.000 -0.005 0.000 1.274 477 I HN 0.406 nan 8.210 nan 0.000 0.469 478 I N 4.983 125.554 120.570 0.001 0.000 2.355 478 I HA 0.277 4.447 4.170 0.000 0.000 0.288 478 I C -0.134 175.986 176.117 0.006 0.000 0.999 478 I CA -0.443 60.858 61.300 0.002 0.000 1.163 478 I CB 0.998 38.998 38.000 0.000 0.000 1.316 478 I HN 0.436 nan 8.210 nan 0.000 0.454 479 D N 3.697 124.100 120.400 0.005 0.000 3.038 479 D HA -0.145 4.495 4.640 0.000 0.000 0.229 479 D C 0.413 176.715 176.300 0.004 0.000 1.182 479 D CA 0.937 54.940 54.000 0.005 0.000 0.852 479 D CB -0.353 40.452 40.800 0.009 0.000 0.932 479 D HN 0.842 nan 8.370 nan 0.000 0.406 480 T N -2.395 112.158 114.554 -0.000 0.000 2.888 480 T HA 0.567 4.917 4.350 0.000 0.000 0.288 480 T C 0.559 175.244 174.700 -0.024 0.000 1.063 480 T CA -0.347 61.750 62.100 -0.005 0.000 1.010 480 T CB 1.975 70.852 68.868 0.015 0.000 1.214 480 T HN 0.107 nan 8.240 nan 0.000 0.533 481 N N -0.161 118.513 118.700 -0.045 0.000 2.708 481 N HA -0.209 4.531 4.740 0.000 0.000 0.249 481 N C 0.937 176.373 175.510 -0.123 0.000 1.097 481 N CA 1.404 54.407 53.050 -0.078 0.000 0.710 481 N CB -1.509 36.962 38.487 -0.027 0.000 1.032 481 N HN 0.987 nan 8.380 nan 0.000 0.551 482 T N -3.605 110.867 114.554 -0.137 0.000 3.007 482 T HA -0.088 4.262 4.350 0.000 0.000 0.270 482 T C 1.148 175.726 174.700 -0.203 0.000 1.107 482 T CA 1.184 63.209 62.100 -0.126 0.000 1.118 482 T CB -0.017 68.808 68.868 -0.072 0.000 0.889 482 T HN 0.409 nan 8.240 nan 0.000 0.506 483 K N 0.689 120.845 120.400 -0.408 0.000 2.514 483 K HA 0.140 4.460 4.320 0.000 0.000 0.207 483 K C -0.282 176.061 176.600 -0.430 0.000 1.035 483 K CA -0.167 55.792 56.287 -0.547 0.000 1.113 483 K CB 0.405 32.243 32.500 -1.104 0.000 0.846 483 K HN 0.051 nan 8.250 nan 0.000 0.491 484 D N 0.463 120.726 120.400 -0.228 0.000 2.737 484 D HA -0.212 4.429 4.640 0.000 0.000 0.233 484 D C 0.363 176.710 176.300 0.079 0.000 1.155 484 D CA 0.638 54.602 54.000 -0.061 0.000 0.667 484 D CB -0.688 40.102 40.800 -0.016 0.000 1.060 484 D HN 0.185 nan 8.370 nan 0.000 0.427 485 F N -0.200 119.703 119.950 -0.079 0.000 2.234 485 F HA -0.002 4.525 4.527 0.000 0.000 0.299 485 F C 1.773 177.508 175.800 -0.109 0.000 1.087 485 F CA 1.007 58.938 58.000 -0.115 0.000 1.340 485 F CB -0.093 38.806 39.000 -0.167 0.000 1.031 485 F HN 0.092 nan 8.300 nan 0.000 0.500 486 Q N -2.234 117.628 119.800 0.103 0.000 2.572 486 Q HA 0.669 5.009 4.340 0.000 0.000 0.284 486 Q C 0.845 176.859 176.000 0.023 0.000 1.091 486 Q CA -0.079 55.743 55.803 0.031 0.000 0.840 486 Q CB 1.383 30.136 28.738 0.024 0.000 1.433 486 Q HN -0.041 nan 8.270 nan 0.000 0.471 487 A N 0.532 123.355 122.820 0.006 0.000 2.208 487 A HA 0.105 4.425 4.320 0.000 0.000 0.209 487 A C -0.007 177.589 177.584 0.020 0.000 1.161 487 A CA 0.847 52.886 52.037 0.003 0.000 0.782 487 A CB -0.649 18.336 19.000 -0.025 0.000 0.816 487 A HN 0.651 nan 8.150 nan 0.000 0.477 488 N N -2.737 115.988 118.700 0.041 0.000 3.046 488 N HA 0.139 4.879 4.740 0.000 0.000 0.243 488 N C -0.394 175.154 175.510 0.064 0.000 1.452 488 N CA -0.638 52.445 53.050 0.055 0.000 0.882 488 N CB 0.448 38.983 38.487 0.081 0.000 1.425 488 N HN 0.012 nan 8.380 nan 0.000 0.517 489 Q N -0.049 119.781 119.800 0.050 0.000 2.163 489 Q HA 0.287 4.627 4.340 0.000 0.000 0.198 489 Q C 0.296 176.336 176.000 0.066 0.000 0.954 489 Q CA 0.903 56.733 55.803 0.046 0.000 0.851 489 Q CB 0.789 29.541 28.738 0.023 0.000 0.928 489 Q HN 0.572 nan 8.270 nan 0.000 0.459 490 I N -0.546 120.060 120.570 0.060 0.000 2.569 490 I HA 0.297 4.467 4.170 0.000 0.000 0.290 490 I C -1.959 174.201 176.117 0.072 0.000 1.088 490 I CA -1.154 60.175 61.300 0.048 0.000 1.047 490 I CB 1.774 39.758 38.000 -0.027 0.000 1.237 490 I HN -0.088 nan 8.210 nan 0.000 0.421 491 Y N 8.118 128.363 120.300 -0.092 0.000 2.350 491 Y HA 0.702 5.252 4.550 0.000 0.000 0.338 491 Y C -1.468 174.269 175.900 -0.271 0.000 0.961 491 Y CA -0.964 57.032 58.100 -0.174 0.000 1.100 491 Y CB 1.333 39.668 38.460 -0.209 0.000 1.179 491 Y HN 0.401 nan 8.280 nan 0.000 0.454 492 I N 5.392 125.435 120.570 -0.878 0.000 2.466 492 I HA 0.240 4.410 4.170 0.000 0.000 0.289 492 I C 0.618 176.162 176.117 -0.955 0.000 1.026 492 I CA -0.465 60.366 61.300 -0.783 0.000 1.078 492 I CB 2.111 39.854 38.000 -0.428 0.000 1.249 492 I HN 0.698 nan 8.210 nan 0.000 0.429 493 S N 4.174 119.372 115.700 -0.836 0.000 2.343 493 S HA 0.051 4.521 4.470 0.000 0.000 0.212 493 S C 1.070 175.549 174.600 -0.201 0.000 1.033 493 S CA 1.361 59.259 58.200 -0.503 0.000 1.004 493 S CB -0.045 62.970 63.200 -0.308 0.000 0.977 493 S HN 0.822 nan 8.310 nan 0.000 0.427 494 G N -0.263 108.492 108.800 -0.074 0.000 2.510 494 G HA2 0.564 4.524 3.960 0.000 0.000 0.280 494 G HA3 0.564 4.524 3.960 0.000 0.000 0.280 494 G C -0.344 174.612 174.900 0.093 0.000 1.386 494 G CA -0.090 45.080 45.100 0.117 0.000 1.047 494 G HN 0.687 nan 8.290 nan 0.000 0.527 495 A N -0.870 122.060 122.820 0.183 0.000 2.666 495 A HA 0.495 4.816 4.320 0.000 0.000 0.301 495 A C 0.149 177.677 177.584 -0.092 0.000 1.470 495 A CA -0.272 51.764 52.037 -0.002 0.000 1.159 495 A CB -1.143 17.840 19.000 -0.030 0.000 1.116 495 A HN 0.606 nan 8.150 nan 0.000 0.548 496 C N 1.789 121.065 119.300 -0.039 0.000 2.822 496 C HA 0.826 5.286 4.460 0.000 0.000 0.341 496 C C -0.030 174.958 174.990 -0.003 0.000 1.301 496 C CA -1.072 57.939 59.018 -0.012 0.000 1.706 496 C CB 1.714 29.534 27.740 0.133 0.000 2.178 496 C HN 0.784 nan 8.230 nan 0.000 0.481 497 R N 0.809 121.319 120.500 0.017 0.000 2.480 497 R HA 0.688 5.028 4.340 0.000 0.000 0.306 497 R C -1.698 174.657 176.300 0.093 0.000 0.958 497 R CA -0.422 55.685 56.100 0.012 0.000 0.861 497 R CB 1.429 31.702 30.300 -0.046 0.000 1.171 497 R HN 0.527 nan 8.270 nan 0.000 0.445 498 V N 2.822 122.777 119.914 0.068 0.000 2.409 498 V HA 0.351 4.472 4.120 0.000 0.000 0.291 498 V C -0.029 176.089 176.094 0.041 0.000 1.020 498 V CA -0.835 61.518 62.300 0.088 0.000 0.848 498 V CB 1.775 33.617 31.823 0.031 0.000 0.990 498 V HN 0.706 nan 8.190 nan 0.000 0.430 499 N N 3.474 122.203 118.700 0.048 0.000 2.626 499 N HA 0.586 5.326 4.740 0.000 0.000 0.242 499 N C -0.056 175.468 175.510 0.024 0.000 1.005 499 N CA 0.258 53.324 53.050 0.026 0.000 0.905 499 N CB 0.977 39.479 38.487 0.024 0.000 1.128 499 N HN 1.130 nan 8.380 nan 0.000 0.512 500 G N 2.356 111.163 108.800 0.012 0.000 3.269 500 G HA2 -0.094 3.866 3.960 0.000 0.000 0.668 500 G HA3 -0.094 3.866 3.960 0.000 0.000 0.668 500 G C -1.540 173.361 174.900 0.003 0.000 1.100 500 G CA -0.747 44.356 45.100 0.006 0.000 0.940 500 G HN 0.534 nan 8.290 nan 0.000 0.438 501 L N 3.110 124.329 121.223 -0.007 0.000 2.441 501 L HA 0.755 5.095 4.340 0.000 0.000 0.270 501 L C 0.084 176.945 176.870 -0.015 0.000 0.973 501 L CA -0.928 53.902 54.840 -0.015 0.000 0.842 501 L CB 1.307 43.351 42.059 -0.025 0.000 1.239 501 L HN 0.593 nan 8.230 nan 0.000 0.406 502 R N 5.933 126.423 120.500 -0.015 0.000 2.294 502 R HA 0.726 5.066 4.340 0.000 0.000 0.319 502 R C -1.285 175.009 176.300 -0.012 0.000 0.984 502 R CA -0.664 55.429 56.100 -0.012 0.000 0.861 502 R CB 1.334 31.628 30.300 -0.011 0.000 1.104 502 R HN 0.570 nan 8.270 nan 0.000 0.451 503 L N 3.922 125.140 121.223 -0.008 0.000 2.354 503 L HA 0.570 4.910 4.340 0.000 0.000 0.269 503 L C -0.470 176.400 176.870 -0.000 0.000 1.005 503 L CA -1.202 53.635 54.840 -0.005 0.000 0.819 503 L CB 1.621 43.676 42.059 -0.005 0.000 1.311 503 L HN 0.449 nan 8.230 nan 0.000 0.423 504 I N 0.840 121.411 120.570 0.001 0.000 8.412 504 I HA -0.171 3.999 4.170 0.000 0.000 0.126 504 I C 0.568 176.687 176.117 0.003 0.000 1.855 504 I CA 0.745 62.047 61.300 0.004 0.000 2.038 504 I CB -1.579 36.425 38.000 0.007 0.000 3.825 504 I HN 0.952 nan 8.210 nan 0.000 0.169 505 G N 5.602 114.405 108.800 0.004 0.000 2.754 505 G HA2 0.440 4.400 3.960 0.000 0.000 0.210 505 G HA3 0.440 4.400 3.960 0.000 0.000 0.210 505 G C 0.767 175.670 174.900 0.005 0.000 2.092 505 G CA 0.247 45.349 45.100 0.004 0.000 0.766 505 G HN 0.534 nan 8.290 nan 0.000 0.745 506 I N 0.427 121.001 120.570 0.007 0.000 4.081 506 I HA 0.493 4.664 4.170 0.000 0.000 0.333 506 I C 0.230 176.352 176.117 0.009 0.000 1.413 506 I CA -0.026 61.278 61.300 0.007 0.000 1.110 506 I CB -0.124 37.881 38.000 0.008 0.000 1.082 506 I HN 0.069 nan 8.210 nan 0.000 0.402 507 R N -0.970 119.536 120.500 0.009 0.000 2.744 507 R HA 0.588 4.928 4.340 0.000 0.000 0.279 507 R C -0.331 175.973 176.300 0.007 0.000 0.977 507 R CA -0.211 55.893 56.100 0.008 0.000 0.906 507 R CB 2.423 32.726 30.300 0.005 0.000 1.197 507 R HN -0.089 nan 8.270 nan 0.000 0.463 514 L N 2.022 123.259 121.223 0.022 0.000 2.360 514 L HA 0.499 4.839 4.340 0.000 0.000 0.271 514 L C 1.286 178.172 176.870 0.026 0.000 1.057 514 L CA -0.540 54.316 54.840 0.026 0.000 0.803 514 L CB 1.446 43.524 42.059 0.032 0.000 1.207 514 L HN 0.757 nan 8.230 nan 0.000 0.445 515 T N 1.306 115.873 114.554 0.021 0.000 2.814 515 T HA 0.158 4.509 4.350 0.000 0.000 0.254 515 T C 0.398 175.109 174.700 0.018 0.000 1.037 515 T CA 0.884 62.994 62.100 0.017 0.000 1.143 515 T CB 0.211 69.085 68.868 0.010 0.000 0.866 515 T HN 0.428 nan 8.240 nan 0.000 0.431 516 I N 1.472 122.048 120.570 0.010 0.000 2.478 516 I HA 0.418 4.588 4.170 0.000 0.000 0.287 516 I C -2.040 174.083 176.117 0.010 0.000 1.042 516 I CA -0.800 60.501 61.300 0.002 0.000 1.067 516 I CB 1.882 39.863 38.000 -0.030 0.000 1.233 516 I HN -0.086 nan 8.210 nan 0.000 0.431 517 D N 7.001 127.429 120.400 0.046 0.000 2.454 517 D HA 0.595 5.235 4.640 0.000 0.000 0.247 517 D C -0.821 175.488 176.300 0.016 0.000 1.129 517 D CA -0.161 53.882 54.000 0.072 0.000 0.877 517 D CB 1.803 42.699 40.800 0.160 0.000 1.082 517 D HN 0.616 nan 8.370 nan 0.000 0.537 518 A N 4.936 127.720 122.820 -0.060 0.000 3.317 518 A HA 0.455 4.776 4.320 0.000 0.000 0.307 518 A C -1.929 175.600 177.584 -0.092 0.000 1.003 518 A CA -1.005 50.945 52.037 -0.145 0.000 0.882 518 A CB 0.927 19.832 19.000 -0.158 0.000 1.136 518 A HN 0.315 nan 8.150 nan 0.000 0.488 519 P HA -0.195 nan 4.420 nan 0.000 0.218 519 P C 0.732 178.013 177.300 -0.031 0.000 1.154 519 P CA 1.550 64.634 63.100 -0.026 0.000 0.872 519 P CB 0.205 31.907 31.700 0.004 0.000 0.790 520 N N -2.017 116.658 118.700 -0.041 0.000 2.214 520 N HA 0.111 4.851 4.740 0.000 0.000 0.214 520 N C -0.163 175.329 175.510 -0.030 0.000 1.132 520 N CA 0.229 53.266 53.050 -0.021 0.000 0.856 520 N CB 0.420 38.911 38.487 0.006 0.000 1.020 520 N HN 0.067 nan 8.380 nan 0.000 0.509 521 S N 0.045 115.715 115.700 -0.050 0.000 2.565 521 S HA 0.427 4.897 4.470 0.000 0.000 0.290 521 S C 0.205 174.780 174.600 -0.043 0.000 1.150 521 S CA -0.329 57.842 58.200 -0.048 0.000 1.058 521 S CB 2.056 65.218 63.200 -0.064 0.000 1.032 521 S HN -0.022 nan 8.310 nan 0.000 0.510 522 T N 2.503 117.036 114.554 -0.034 0.000 2.771 522 T HA 0.569 4.919 4.350 0.000 0.000 0.281 522 T C -0.482 174.202 174.700 -0.026 0.000 0.982 522 T CA -0.402 61.680 62.100 -0.031 0.000 0.978 522 T CB 0.757 69.608 68.868 -0.028 0.000 0.930 522 T HN 0.323 nan 8.240 nan 0.000 0.447 523 V N 2.271 122.167 119.914 -0.031 0.000 2.864 523 V HA 0.874 4.994 4.120 0.000 0.000 0.314 523 V C -0.126 175.955 176.094 -0.022 0.000 1.073 523 V CA -0.762 61.522 62.300 -0.026 0.000 0.956 523 V CB 2.232 34.032 31.823 -0.039 0.000 1.023 523 V HN 0.852 nan 8.190 nan 0.000 0.435 524 S N 0.971 116.662 115.700 -0.014 0.000 2.537 524 S HA 0.664 5.134 4.470 0.000 0.000 0.270 524 S C 0.115 174.710 174.600 -0.008 0.000 1.142 524 S CA 0.446 58.639 58.200 -0.012 0.000 0.870 524 S CB 1.569 64.765 63.200 -0.008 0.000 1.112 524 S HN 2.368 nan 8.310 nan 0.000 0.466 525 G N 2.966 111.761 108.800 -0.008 0.000 2.256 525 G HA2 -0.181 3.779 3.960 0.000 0.000 0.272 525 G HA3 -0.181 3.779 3.960 0.000 0.000 0.272 525 G C -0.190 174.706 174.900 -0.007 0.000 1.076 525 G CA 0.211 45.308 45.100 -0.005 0.000 0.882 525 G HN 0.781 nan 8.290 nan 0.000 0.497 526 I N 1.459 122.023 120.570 -0.010 0.000 2.474 526 I HA 0.472 4.642 4.170 0.000 0.000 0.287 526 I C 1.069 177.183 176.117 -0.006 0.000 1.048 526 I CA 0.454 61.748 61.300 -0.011 0.000 1.383 526 I CB 1.262 39.253 38.000 -0.015 0.000 1.412 526 I HN 0.380 nan 8.210 nan 0.000 0.531 527 T N 1.969 116.520 114.554 -0.005 0.000 2.907 527 T HA 0.883 5.233 4.350 0.000 0.000 0.292 527 T C -0.258 174.441 174.700 -0.000 0.000 1.043 527 T CA -0.553 61.546 62.100 -0.001 0.000 1.003 527 T CB 2.056 70.923 68.868 -0.002 0.000 1.084 527 T HN 1.144 nan 8.240 nan 0.000 0.483 528 G N 1.587 110.389 108.800 0.003 0.000 2.392 528 G HA2 0.220 4.180 3.960 0.000 0.000 0.677 528 G HA3 0.220 4.180 3.960 0.000 0.000 0.677 528 G C -0.362 174.544 174.900 0.011 0.000 1.334 528 G CA -0.908 44.195 45.100 0.005 0.000 0.961 528 G HN 0.767 nan 8.290 nan 0.000 0.616 529 M N 1.243 120.851 119.600 0.014 0.000 3.742 529 M HA 0.244 4.725 4.480 0.000 0.000 0.197 529 M C 0.981 177.292 176.300 0.019 0.000 1.417 529 M CA -0.264 55.048 55.300 0.020 0.000 1.653 529 M CB -0.707 31.907 32.600 0.023 0.000 1.079 529 M HN 0.525 nan 8.290 nan 0.000 0.558 530 V N 1.483 121.407 119.914 0.017 0.000 2.775 530 V HA 0.144 4.264 4.120 0.000 0.000 0.299 530 V C 0.020 176.129 176.094 0.025 0.000 1.062 530 V CA -0.318 61.992 62.300 0.017 0.000 1.063 530 V CB 1.378 33.208 31.823 0.012 0.000 0.994 530 V HN 0.499 nan 8.190 nan 0.000 0.483 531 D N 6.697 127.114 120.400 0.027 0.000 2.316 531 D HA 0.322 4.962 4.640 0.000 0.000 0.245 531 D C -1.760 174.570 176.300 0.050 0.000 1.171 531 D CA -1.986 52.035 54.000 0.034 0.000 0.856 531 D CB 1.948 42.766 40.800 0.030 0.000 1.090 531 D HN 0.334 nan 8.370 nan 0.000 0.476 532 P HA -0.154 nan 4.420 nan 0.000 0.218 532 P C 1.303 178.727 177.300 0.205 0.000 1.148 532 P CA 1.139 64.319 63.100 0.132 0.000 0.822 532 P CB 0.088 31.866 31.700 0.131 0.000 0.784 533 S N -0.727 115.048 115.700 0.124 0.000 2.474 533 S HA -0.079 4.392 4.470 0.000 0.000 0.235 533 S C 1.598 176.255 174.600 0.095 0.000 0.997 533 S CA 0.599 58.868 58.200 0.115 0.000 0.949 533 S CB -0.782 62.448 63.200 0.051 0.000 0.766 533 S HN 0.165 nan 8.310 nan 0.000 0.517 534 R N 0.309 120.850 120.500 0.069 0.000 2.466 534 R HA 0.454 4.794 4.340 0.000 0.000 0.279 534 R C -0.535 175.781 176.300 0.026 0.000 0.976 534 R CA -0.029 56.096 56.100 0.043 0.000 1.081 534 R CB 0.054 30.373 30.300 0.031 0.000 1.215 534 R HN 0.444 nan 8.270 nan 0.000 0.546 535 I N 0.814 121.394 120.570 0.017 0.000 2.378 535 I HA 0.199 4.369 4.170 0.000 0.000 0.291 535 I C -0.587 175.483 176.117 -0.078 0.000 0.992 535 I CA -0.916 60.361 61.300 -0.038 0.000 1.154 535 I CB 1.661 39.616 38.000 -0.076 0.000 1.315 535 I HN -0.084 nan 8.210 nan 0.000 0.448 536 N N 6.479 125.143 118.700 -0.061 0.000 2.504 536 N HA 0.618 5.358 4.740 0.000 0.000 0.280 536 N C -1.217 174.252 175.510 -0.068 0.000 1.052 536 N CA -0.437 52.575 53.050 -0.063 0.000 0.887 536 N CB 1.562 40.042 38.487 -0.011 0.000 1.323 536 N HN 0.431 nan 8.380 nan 0.000 0.509 537 V N 0.307 120.166 119.914 -0.092 0.000 3.182 537 V HA 0.878 4.998 4.120 0.000 0.000 0.308 537 V C 0.756 176.810 176.094 -0.066 0.000 1.240 537 V CA -0.372 61.881 62.300 -0.077 0.000 1.063 537 V CB 1.137 32.910 31.823 -0.084 0.000 1.076 537 V HN 0.441 nan 8.190 nan 0.000 0.446 538 A N 0.679 123.469 122.820 -0.051 0.000 1.930 538 A HA 0.275 4.595 4.320 0.000 0.000 0.215 538 A C 0.896 178.457 177.584 -0.038 0.000 1.176 538 A CA 1.478 53.493 52.037 -0.036 0.000 0.632 538 A CB -0.592 18.391 19.000 -0.027 0.000 0.819 538 A HN 1.076 nan 8.150 nan 0.000 0.445 539 N N -1.426 117.248 118.700 -0.043 0.000 2.452 539 N HA 0.431 5.171 4.740 0.000 0.000 0.277 539 N C -2.355 173.128 175.510 -0.044 0.000 1.078 539 N CA -0.556 52.470 53.050 -0.039 0.000 0.947 539 N CB 1.273 39.744 38.487 -0.027 0.000 1.655 539 N HN 0.112 nan 8.380 nan 0.000 0.490 540 L N 3.060 124.255 121.223 -0.046 0.000 2.381 540 L HA 0.915 5.255 4.340 0.000 0.000 0.274 540 L C -1.350 175.503 176.870 -0.028 0.000 0.988 540 L CA -0.238 54.576 54.840 -0.044 0.000 0.824 540 L CB 1.454 43.475 42.059 -0.065 0.000 1.263 540 L HN 0.712 nan 8.230 nan 0.000 0.410 541 A N 3.560 126.368 122.820 -0.022 0.000 2.589 541 A HA 0.811 5.131 4.320 0.000 0.000 0.296 541 A C -1.594 175.982 177.584 -0.012 0.000 1.062 541 A CA -0.628 51.400 52.037 -0.015 0.000 0.686 541 A CB 1.514 20.506 19.000 -0.013 0.000 1.282 541 A HN 0.475 nan 8.150 nan 0.000 0.404 542 E N 1.860 122.054 120.200 -0.010 0.000 2.683 542 E HA 0.234 4.584 4.350 0.000 0.000 0.224 542 E C -0.172 176.423 176.600 -0.008 0.000 1.046 542 E CA -0.467 55.928 56.400 -0.008 0.000 0.811 542 E CB 1.001 30.696 29.700 -0.008 0.000 1.296 542 E HN 0.645 nan 8.360 nan 0.000 0.421 543 E N 0.657 120.852 120.200 -0.007 0.000 2.158 543 E HA -0.030 4.320 4.350 0.000 0.000 0.191 543 E C 1.060 177.657 176.600 -0.006 0.000 0.982 543 E CA 0.634 57.030 56.400 -0.007 0.000 0.823 543 E CB 0.341 30.037 29.700 -0.007 0.000 0.766 543 E HN 0.408 nan 8.360 nan 0.000 0.468 544 G N 1.202 109.999 108.800 -0.005 0.000 4.098 544 G HA2 0.366 4.327 3.960 0.000 0.000 0.300 544 G HA3 0.366 4.327 3.960 0.000 0.000 0.300 544 G C 0.235 175.133 174.900 -0.004 0.000 1.187 544 G CA -0.346 44.752 45.100 -0.005 0.000 0.964 544 G HN -0.048 nan 8.290 nan 0.000 0.559 545 L N 0.295 121.515 121.223 -0.005 0.000 2.439 545 L HA 0.560 4.900 4.340 0.000 0.000 0.261 545 L C 1.407 178.275 176.870 -0.004 0.000 1.153 545 L CA -0.562 54.276 54.840 -0.004 0.000 0.808 545 L CB 1.035 43.091 42.059 -0.005 0.000 1.126 545 L HN 0.241 nan 8.230 nan 0.000 0.460 546 G N 0.379 109.177 108.800 -0.003 0.000 2.630 546 G HA2 0.131 4.091 3.960 0.000 0.000 0.223 546 G HA3 0.131 4.091 3.960 0.000 0.000 0.223 546 G C -0.140 174.758 174.900 -0.004 0.000 1.434 546 G CA -0.719 44.380 45.100 -0.003 0.000 1.057 546 G HN 0.602 nan 8.290 nan 0.000 0.570 547 N N -0.014 118.684 118.700 -0.003 0.000 2.458 547 N HA 0.140 4.880 4.740 0.000 0.000 0.258 547 N C -0.346 175.162 175.510 -0.005 0.000 1.219 547 N CA 0.441 53.489 53.050 -0.004 0.000 0.902 547 N CB 1.179 39.664 38.487 -0.003 0.000 1.076 547 N HN 0.203 nan 8.380 nan 0.000 0.455 548 I N 1.302 121.868 120.570 -0.008 0.000 2.562 548 I HA 0.391 4.561 4.170 0.000 0.000 0.301 548 I C 0.480 176.591 176.117 -0.010 0.000 1.003 548 I CA -0.741 60.554 61.300 -0.008 0.000 1.127 548 I CB 1.894 39.886 38.000 -0.012 0.000 1.304 548 I HN 0.232 nan 8.210 nan 0.000 0.446 549 R N 4.315 124.811 120.500 -0.007 0.000 2.502 549 R HA 0.713 5.053 4.340 0.000 0.000 0.300 549 R C -1.402 174.893 176.300 -0.008 0.000 0.984 549 R CA -0.558 55.536 56.100 -0.011 0.000 0.882 549 R CB 1.747 32.044 30.300 -0.005 0.000 1.180 549 R HN 0.753 nan 8.270 nan 0.000 0.444 550 A N 4.681 127.488 122.820 -0.023 0.000 2.269 550 A HA 0.359 4.679 4.320 0.000 0.000 0.302 550 A C -0.729 176.839 177.584 -0.026 0.000 1.266 550 A CA -0.671 51.353 52.037 -0.021 0.000 0.894 550 A CB 0.404 19.377 19.000 -0.047 0.000 1.147 550 A HN 0.812 nan 8.150 nan 0.000 0.537 551 N N 1.898 120.603 118.700 0.008 0.000 2.444 551 N HA 0.248 4.988 4.740 0.000 0.000 0.262 551 N C -0.932 174.562 175.510 -0.028 0.000 0.974 551 N CA -0.045 52.983 53.050 -0.036 0.000 0.933 551 N CB 1.842 40.363 38.487 0.056 0.000 1.137 551 N HN 0.518 nan 8.380 nan 0.000 0.498 552 S N 2.647 118.256 115.700 -0.152 0.000 2.442 552 S HA 0.589 5.059 4.470 0.000 0.000 0.297 552 S C -0.968 173.500 174.600 -0.219 0.000 1.131 552 S CA -0.533 57.643 58.200 -0.039 0.000 1.092 552 S CB 0.123 63.328 63.200 0.008 0.000 0.998 552 S HN 0.302 nan 8.310 nan 0.000 0.478 553 F N 2.221 122.247 119.950 0.126 0.000 2.508 553 F HA 0.592 5.119 4.527 0.000 0.000 0.325 553 F C 1.406 177.176 175.800 -0.051 0.000 1.090 553 F CA -0.084 57.942 58.000 0.042 0.000 0.945 553 F CB 1.825 40.831 39.000 0.010 0.000 1.156 553 F HN 0.827 nan 8.300 nan 0.000 0.463 554 G N 1.324 110.163 108.800 0.063 0.000 2.166 554 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 554 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 554 G C -0.694 174.034 174.900 -0.286 0.000 0.986 554 G CA 0.175 45.187 45.100 -0.146 0.000 0.683 554 G HN 0.532 nan 8.290 nan 0.000 0.527 555 Y N -1.178 119.143 120.300 0.035 0.000 2.602 555 Y HA 0.516 5.066 4.550 0.000 0.000 0.342 555 Y C 0.716 176.615 175.900 -0.002 0.000 1.029 555 Y CA -1.288 56.825 58.100 0.021 0.000 1.080 555 Y CB 1.269 39.744 38.460 0.024 0.000 1.284 555 Y HN -0.035 nan 8.280 nan 0.000 0.485 556 D N 0.371 120.894 120.400 0.204 0.000 2.340 556 D HA 0.063 4.703 4.640 0.000 0.000 0.220 556 D C -0.288 176.047 176.300 0.057 0.000 1.039 556 D CA 0.549 54.613 54.000 0.107 0.000 0.866 556 D CB 0.288 41.153 40.800 0.108 0.000 0.913 556 D HN 0.438 nan 8.370 nan 0.000 0.523 557 S N -0.972 114.747 115.700 0.032 0.000 2.596 557 S HA 0.757 5.228 4.470 0.000 0.000 0.270 557 S C -0.901 173.635 174.600 -0.108 0.000 1.155 557 S CA -1.034 57.085 58.200 -0.134 0.000 0.827 557 S CB 2.605 65.614 63.200 -0.318 0.000 1.130 557 S HN 0.016 nan 8.310 nan 0.000 0.467 558 A N 0.288 123.011 122.820 -0.162 0.000 2.356 558 A HA 1.042 5.362 4.320 0.000 0.000 0.323 558 A C -0.243 177.249 177.584 -0.153 0.000 1.119 558 A CA -0.570 51.391 52.037 -0.127 0.000 0.790 558 A CB 1.308 20.236 19.000 -0.119 0.000 1.273 558 A HN 2.120 nan 8.150 nan 0.000 0.452 559 A N 0.633 123.348 122.820 -0.175 0.000 2.594 559 A HA 0.740 5.060 4.320 0.000 0.000 0.295 559 A C -1.382 176.050 177.584 -0.253 0.000 1.071 559 A CA -0.340 51.516 52.037 -0.302 0.000 0.685 559 A CB 0.971 19.716 19.000 -0.425 0.000 1.285 559 A HN 0.825 nan 8.150 nan 0.000 0.405 560 I N 1.756 122.143 120.570 -0.305 0.000 2.503 560 I HA 0.284 4.454 4.170 0.000 0.000 0.282 560 I C -0.543 175.422 176.117 -0.254 0.000 1.059 560 I CA -0.377 60.798 61.300 -0.208 0.000 1.081 560 I CB 1.845 39.755 38.000 -0.149 0.000 1.210 560 I HN 0.603 nan 8.210 nan 0.000 0.450 561 K N 5.962 126.236 120.400 -0.210 0.000 2.123 561 K HA 0.769 5.089 4.320 0.000 0.000 0.259 561 K C -1.210 175.323 176.600 -0.111 0.000 0.960 561 K CA -0.843 55.330 56.287 -0.189 0.000 0.872 561 K CB 2.185 34.585 32.500 -0.167 0.000 1.079 561 K HN 0.275 nan 8.250 nan 0.000 0.440 562 L N 1.825 122.992 121.223 -0.093 0.000 2.341 562 L HA 0.515 4.855 4.340 0.000 0.000 0.278 562 L C -0.406 176.431 176.870 -0.055 0.000 1.005 562 L CA -0.413 54.392 54.840 -0.058 0.000 0.818 562 L CB 1.642 43.671 42.059 -0.050 0.000 1.259 562 L HN 0.505 nan 8.230 nan 0.000 0.418 563 R N 3.305 123.782 120.500 -0.039 0.000 2.502 563 R HA 0.629 4.969 4.340 0.000 0.000 0.300 563 R C -1.410 174.862 176.300 -0.046 0.000 0.984 563 R CA -0.495 55.552 56.100 -0.087 0.000 0.882 563 R CB 1.132 31.333 30.300 -0.165 0.000 1.180 563 R HN 0.655 nan 8.270 nan 0.000 0.444 564 I N 4.968 125.502 120.570 -0.059 0.000 2.291 564 I HA 0.150 4.320 4.170 0.000 0.000 0.290 564 I C 0.594 176.695 176.117 -0.026 0.000 1.050 564 I CA -0.529 60.772 61.300 0.002 0.000 1.245 564 I CB 1.183 39.180 38.000 -0.005 0.000 1.405 564 I HN 0.739 nan 8.210 nan 0.000 0.478 565 H N 3.832 122.896 119.070 -0.009 0.000 2.489 565 H HA -0.127 4.429 4.556 0.000 0.000 0.293 565 H C 2.072 177.398 175.328 -0.004 0.000 1.066 565 H CA 1.254 57.298 56.048 -0.006 0.000 1.305 565 H CB 0.080 29.839 29.762 -0.005 0.000 1.386 565 H HN 0.504 nan 8.280 nan 0.000 0.551 566 K N 0.252 120.706 120.400 0.090 0.000 2.148 566 K HA -0.109 4.211 4.320 0.000 0.000 0.204 566 K C 1.856 178.469 176.600 0.020 0.000 1.050 566 K CA 0.827 57.144 56.287 0.049 0.000 0.942 566 K CB -0.026 32.495 32.500 0.036 0.000 0.724 566 K HN 0.213 nan 8.250 nan 0.000 0.446 567 L N -0.380 120.844 121.223 0.001 0.000 2.049 567 L HA 0.080 4.420 4.340 0.000 0.000 0.203 567 L C 0.302 177.156 176.870 -0.027 0.000 1.074 567 L CA 1.152 55.983 54.840 -0.015 0.000 0.749 567 L CB 0.322 42.366 42.059 -0.025 0.000 0.907 567 L HN 0.081 nan 8.230 nan 0.000 0.439 568 S N -1.951 113.714 115.700 -0.058 0.000 2.548 568 S HA 0.298 4.768 4.470 0.000 0.000 0.278 568 S C 0.042 174.542 174.600 -0.167 0.000 1.150 568 S CA -0.745 57.410 58.200 -0.076 0.000 0.907 568 S CB 1.126 64.285 63.200 -0.068 0.000 1.108 568 S HN 0.232 nan 8.310 nan 0.000 0.459 569 K N 1.555 121.887 120.400 -0.113 0.000 2.400 569 K HA 0.053 4.373 4.320 0.000 0.000 0.194 569 K C 1.508 178.029 176.600 -0.132 0.000 1.033 569 K CA 1.217 57.417 56.287 -0.144 0.000 1.021 569 K CB 0.090 32.634 32.500 0.073 0.000 0.808 569 K HN 0.795 nan 8.250 nan 0.000 0.505 570 T N -1.918 112.582 114.554 -0.089 0.000 2.990 570 T HA 0.232 4.582 4.350 0.000 0.000 0.249 570 T C 0.673 175.335 174.700 -0.064 0.000 1.039 570 T CA -0.198 61.868 62.100 -0.056 0.000 1.036 570 T CB 0.146 68.999 68.868 -0.025 0.000 0.994 570 T HN -0.111 nan 8.240 nan 0.000 0.489 571 L N 2.173 123.348 121.223 -0.081 0.000 2.329 571 L HA 0.532 4.872 4.340 0.000 0.000 0.279 571 L C -0.752 176.066 176.870 -0.085 0.000 1.014 571 L CA -1.179 53.623 54.840 -0.064 0.000 0.814 571 L CB 1.705 43.737 42.059 -0.044 0.000 1.257 571 L HN 0.069 nan 8.230 nan 0.000 0.424 572 D N 0.663 121.025 120.400 -0.063 0.000 2.345 572 D HA 0.063 4.703 4.640 0.000 0.000 0.247 572 D C 0.838 177.108 176.300 -0.051 0.000 1.108 572 D CA 0.110 54.070 54.000 -0.067 0.000 0.894 572 D CB 1.813 42.580 40.800 -0.055 0.000 1.203 572 D HN 0.614 nan 8.370 nan 0.000 0.430 573 S N 0.758 116.424 115.700 -0.056 0.000 2.528 573 S HA 0.286 4.756 4.470 0.000 0.000 0.219 573 S C 0.857 175.438 174.600 -0.031 0.000 0.985 573 S CA 0.034 58.209 58.200 -0.042 0.000 0.914 573 S CB 0.569 63.743 63.200 -0.044 0.000 0.776 573 S HN 0.629 nan 8.310 nan 0.000 0.526 574 G N -0.542 108.237 108.800 -0.036 0.000 2.523 574 G HA2 0.664 4.625 3.960 0.000 0.000 0.291 574 G HA3 0.664 4.625 3.960 0.000 0.000 0.291 574 G C -1.629 173.230 174.900 -0.068 0.000 1.450 574 G CA -0.243 44.839 45.100 -0.031 0.000 0.790 574 G HN 0.877 nan 8.290 nan 0.000 0.496 575 A N -0.901 121.874 122.820 -0.075 0.000 2.610 575 A HA 0.826 5.146 4.320 0.000 0.000 0.291 575 A C -2.137 175.346 177.584 -0.169 0.000 1.086 575 A CA -0.593 51.313 52.037 -0.218 0.000 0.677 575 A CB 1.868 20.576 19.000 -0.487 0.000 1.278 575 A HN 2.086 nan 8.150 nan 0.000 0.414 576 L N 1.044 122.103 121.223 -0.272 0.000 2.372 576 L HA 0.781 5.122 4.340 0.000 0.000 0.273 576 L C -1.837 174.883 176.870 -0.250 0.000 0.989 576 L CA -0.292 54.460 54.840 -0.147 0.000 0.841 576 L CB 0.447 42.441 42.059 -0.109 0.000 1.225 576 L HN 0.624 nan 8.230 nan 0.000 0.414 577 Y N 2.020 122.263 120.300 -0.095 0.000 2.567 577 Y HA 0.743 5.293 4.550 0.000 0.000 0.333 577 Y C 0.298 176.021 175.900 -0.295 0.000 1.106 577 Y CA -0.543 57.410 58.100 -0.245 0.000 1.157 577 Y CB 2.329 40.611 38.460 -0.297 0.000 1.277 577 Y HN 0.558 nan 8.280 nan 0.000 0.490 578 S N 0.534 116.072 115.700 -0.270 0.000 2.672 578 S HA 0.537 5.008 4.470 0.000 0.000 0.291 578 S C -1.827 172.471 174.600 -0.504 0.000 1.145 578 S CA -0.543 57.490 58.200 -0.278 0.000 1.013 578 S CB -0.030 63.076 63.200 -0.157 0.000 1.017 578 S HN 0.690 nan 8.310 nan 0.000 0.487 579 H N 2.552 121.370 119.070 -0.419 0.000 2.622 579 H HA 0.525 5.082 4.556 0.000 0.000 0.363 579 H C -0.094 175.094 175.328 -0.235 0.000 1.151 579 H CA -0.680 55.123 56.048 -0.409 0.000 1.184 579 H CB 1.182 30.497 29.762 -0.745 0.000 1.643 579 H HN 0.520 nan 8.280 nan 0.000 0.531 580 I N 1.919 122.509 120.570 0.035 0.000 2.692 580 I HA -0.004 4.166 4.170 0.000 0.000 0.284 580 I C -0.045 176.144 176.117 0.120 0.000 1.159 580 I CA 0.439 61.773 61.300 0.057 0.000 1.423 580 I CB 0.326 38.351 38.000 0.041 0.000 1.380 580 I HN 0.602 nan 8.210 nan 0.000 0.580 581 N N 4.115 122.877 118.700 0.103 0.000 2.444 581 N HA 0.516 5.256 4.740 0.000 0.000 0.262 581 N C 0.382 175.911 175.510 0.031 0.000 0.974 581 N CA 0.219 53.317 53.050 0.079 0.000 0.933 581 N CB 1.656 40.176 38.487 0.056 0.000 1.137 581 N HN 0.926 nan 8.380 nan 0.000 0.498 582 G N 1.418 110.228 108.800 0.017 0.000 2.669 582 G HA2 -0.090 3.870 3.960 0.000 0.000 0.250 582 G HA3 -0.090 3.870 3.960 0.000 0.000 0.250 582 G C 0.061 174.971 174.900 0.017 0.000 1.247 582 G CA -0.278 44.827 45.100 0.008 0.000 0.958 582 G HN 0.876 nan 8.290 nan 0.000 0.559 583 G N -0.940 107.869 108.800 0.014 0.000 3.058 583 G HA2 0.822 4.782 3.960 0.000 0.000 0.282 583 G HA3 0.822 4.782 3.960 0.000 0.000 0.282 583 G C 0.212 175.119 174.900 0.012 0.000 1.248 583 G CA 0.858 45.967 45.100 0.015 0.000 0.822 583 G HN 2.146 nan 8.290 nan 0.000 0.579 584 A N -1.228 121.597 122.820 0.009 0.000 2.520 584 A HA 0.498 4.818 4.320 0.000 0.000 0.235 584 A C 1.604 179.190 177.584 0.003 0.000 1.065 584 A CA 1.487 53.526 52.037 0.004 0.000 0.764 584 A CB -0.568 18.435 19.000 0.004 0.000 1.002 584 A HN 2.669 nan 8.150 nan 0.000 0.502 585 G N 0.949 109.749 108.800 -0.000 0.000 2.225 585 G HA2 -0.255 3.705 3.960 0.000 0.000 0.267 585 G HA3 -0.255 3.705 3.960 0.000 0.000 0.267 585 G C 0.926 175.827 174.900 0.002 0.000 1.024 585 G CA 1.352 46.452 45.100 -0.000 0.000 0.784 585 G HN 2.075 nan 8.290 nan 0.000 0.507 586 S N -1.290 114.412 115.700 0.003 0.000 2.501 586 S HA 0.386 4.856 4.470 0.000 0.000 0.220 586 S C 2.248 176.851 174.600 0.005 0.000 0.997 586 S CA 1.210 59.413 58.200 0.005 0.000 0.919 586 S CB 0.176 63.381 63.200 0.008 0.000 0.778 586 S HN 2.282 nan 8.310 nan 0.000 0.523 587 G N 0.516 109.319 108.800 0.004 0.000 2.153 587 G HA2 -0.232 3.728 3.960 0.000 0.000 0.252 587 G HA3 -0.232 3.728 3.960 0.000 0.000 0.252 587 G C -0.002 174.905 174.900 0.011 0.000 0.994 587 G CA 0.453 45.556 45.100 0.005 0.000 0.698 587 G HN 1.107 nan 8.290 nan 0.000 0.521 588 S N -1.015 114.694 115.700 0.017 0.000 2.549 588 S HA 0.988 5.458 4.470 0.000 0.000 0.280 588 S C -0.240 174.388 174.600 0.046 0.000 1.109 588 S CA 0.728 58.946 58.200 0.030 0.000 0.905 588 S CB 1.874 65.090 63.200 0.027 0.000 1.081 588 S HN 2.027 nan 8.310 nan 0.000 0.477 589 A N 2.231 125.093 122.820 0.070 0.000 2.608 589 A HA 0.738 5.058 4.320 0.000 0.000 0.292 589 A C -1.933 175.752 177.584 0.169 0.000 1.066 589 A CA -0.745 51.345 52.037 0.088 0.000 0.676 589 A CB 0.850 19.859 19.000 0.014 0.000 1.277 589 A HN 1.489 nan 8.150 nan 0.000 0.413 590 Y N -0.847 119.504 120.300 0.085 0.000 2.485 590 Y HA 0.837 5.387 4.550 0.000 0.000 0.345 590 Y C -0.230 175.756 175.900 0.142 0.000 0.998 590 Y CA -0.842 57.323 58.100 0.108 0.000 1.059 590 Y CB 1.557 40.096 38.460 0.132 0.000 1.234 590 Y HN 0.455 nan 8.280 nan 0.000 0.461 591 T N 4.825 119.520 114.554 0.235 0.000 2.795 591 T HA 0.408 4.758 4.350 0.000 0.000 0.282 591 T C -0.922 173.920 174.700 0.238 0.000 0.980 591 T CA -0.783 61.402 62.100 0.142 0.000 1.012 591 T CB 0.958 69.881 68.868 0.092 0.000 0.936 591 T HN 0.789 nan 8.240 nan 0.000 0.457 592 Q N 2.449 122.387 119.800 0.230 0.000 2.347 592 Q HA 0.705 5.046 4.340 0.000 0.000 0.271 592 Q C -1.869 174.252 176.000 0.202 0.000 1.064 592 Q CA -1.146 54.808 55.803 0.252 0.000 0.800 592 Q CB 1.636 30.575 28.738 0.335 0.000 1.304 592 Q HN 0.407 nan 8.270 nan 0.000 0.438 593 L N 3.029 124.333 121.223 0.134 0.000 2.305 593 L HA 0.595 4.935 4.340 0.000 0.000 0.284 593 L C -0.722 176.197 176.870 0.082 0.000 1.013 593 L CA 0.244 55.135 54.840 0.085 0.000 0.819 593 L CB 1.806 43.891 42.059 0.045 0.000 1.227 593 L HN 0.960 nan 8.230 nan 0.000 0.417 594 T N 2.042 116.650 114.554 0.089 0.000 2.942 594 T HA 0.982 5.332 4.350 0.000 0.000 0.289 594 T C -0.541 174.176 174.700 0.028 0.000 1.044 594 T CA -0.420 61.725 62.100 0.075 0.000 1.023 594 T CB 1.915 70.872 68.868 0.149 0.000 1.123 594 T HN 0.897 nan 8.240 nan 0.000 0.512 595 A N 1.422 124.249 122.820 0.010 0.000 2.486 595 A HA 0.724 5.044 4.320 0.000 0.000 0.300 595 A C -0.757 176.818 177.584 -0.014 0.000 1.048 595 A CA -0.974 51.056 52.037 -0.011 0.000 0.696 595 A CB 1.187 20.170 19.000 -0.028 0.000 1.278 595 A HN 1.107 nan 8.150 nan 0.000 0.405 596 I N 1.298 121.857 120.570 -0.019 0.000 2.581 596 I HA 0.556 4.726 4.170 0.000 0.000 0.288 596 I C 0.186 176.284 176.117 -0.032 0.000 1.047 596 I CA 0.340 61.627 61.300 -0.021 0.000 1.374 596 I CB 1.229 39.215 38.000 -0.023 0.000 1.423 596 I HN 0.613 nan 8.210 nan 0.000 0.549 597 S N 4.091 119.771 115.700 -0.033 0.000 2.543 597 S HA 0.557 5.027 4.470 0.000 0.000 0.271 597 S C 0.047 174.629 174.600 -0.030 0.000 1.148 597 S CA 0.106 58.282 58.200 -0.038 0.000 0.914 597 S CB 1.333 64.502 63.200 -0.051 0.000 1.096 597 S HN 1.278 nan 8.310 nan 0.000 0.471 598 G N 2.525 111.309 108.800 -0.026 0.000 2.283 598 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 598 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 598 G C 0.534 175.424 174.900 -0.017 0.000 1.029 598 G CA 0.776 45.864 45.100 -0.019 0.000 0.840 598 G HN 1.820 nan 8.290 nan 0.000 0.505 599 S N -2.578 113.111 115.700 -0.018 0.000 3.380 599 S HA -0.227 4.243 4.470 0.000 0.000 0.300 599 S C 0.784 175.375 174.600 -0.016 0.000 1.255 599 S CA 1.572 59.762 58.200 -0.017 0.000 0.963 599 S CB -1.427 61.765 63.200 -0.014 0.000 1.106 599 S HN 1.524 nan 8.310 nan 0.000 0.629 600 T N 3.633 118.177 114.554 -0.018 0.000 2.821 600 T HA 0.432 4.782 4.350 0.000 0.000 0.307 600 T C -2.273 172.420 174.700 -0.013 0.000 1.034 600 T CA -1.228 60.863 62.100 -0.016 0.000 0.953 600 T CB 1.567 70.423 68.868 -0.020 0.000 0.968 600 T HN 0.051 nan 8.240 nan 0.000 0.462 601 P HA 0.181 nan 4.420 nan 0.000 0.271 601 P C -0.162 177.151 177.300 0.022 0.000 1.216 601 P CA 0.132 63.237 63.100 0.008 0.000 0.776 601 P CB 0.534 32.243 31.700 0.015 0.000 0.881 602 D N 0.475 120.898 120.400 0.038 0.000 3.090 602 D HA -0.201 4.439 4.640 0.000 0.000 0.215 602 D C 1.285 177.587 176.300 0.003 0.000 1.140 602 D CA 1.387 55.420 54.000 0.054 0.000 0.937 602 D CB -1.733 39.117 40.800 0.082 0.000 1.108 602 D HN 0.511 nan 8.370 nan 0.000 0.420 603 A N -0.271 122.540 122.820 -0.015 0.000 1.940 603 A HA 0.045 4.365 4.320 0.000 0.000 0.219 603 A C 1.260 178.811 177.584 -0.054 0.000 1.176 603 A CA 1.507 53.521 52.037 -0.038 0.000 0.631 603 A CB 0.301 19.277 19.000 -0.039 0.000 0.814 603 A HN 0.222 nan 8.150 nan 0.000 0.446 604 V N -0.118 119.768 119.914 -0.046 0.000 2.715 604 V HA 0.645 4.766 4.120 0.000 0.000 0.310 604 V C -0.242 175.830 176.094 -0.036 0.000 1.054 604 V CA 0.126 62.390 62.300 -0.061 0.000 0.928 604 V CB 1.515 33.298 31.823 -0.067 0.000 1.007 604 V HN 0.707 nan 8.190 nan 0.000 0.437 605 S N 3.615 119.288 115.700 -0.045 0.000 2.558 605 S HA 0.638 5.108 4.470 0.000 0.000 0.277 605 S C -1.466 173.124 174.600 -0.017 0.000 1.143 605 S CA -0.730 57.464 58.200 -0.010 0.000 0.865 605 S CB 1.385 64.597 63.200 0.020 0.000 1.102 605 S HN 0.901 nan 8.310 nan 0.000 0.454 606 L N 1.524 122.756 121.223 0.015 0.000 2.317 606 L HA 0.857 5.197 4.340 0.000 0.000 0.281 606 L C -1.229 175.676 176.870 0.059 0.000 1.024 606 L CA -0.389 54.462 54.840 0.018 0.000 0.810 606 L CB 1.234 43.304 42.059 0.019 0.000 1.240 606 L HN 0.814 nan 8.230 nan 0.000 0.427 607 K N 3.623 124.055 120.400 0.053 0.000 2.267 607 K HA 0.721 5.041 4.320 0.000 0.000 0.246 607 K C -1.456 175.213 176.600 0.114 0.000 0.954 607 K CA -0.567 55.793 56.287 0.122 0.000 0.824 607 K CB 2.450 34.986 32.500 0.060 0.000 1.167 607 K HN 0.325 nan 8.250 nan 0.000 0.431 608 V N 2.911 122.929 119.914 0.173 0.000 2.443 608 V HA 0.364 4.484 4.120 0.000 0.000 0.293 608 V C 0.264 176.464 176.094 0.178 0.000 1.021 608 V CA -0.759 61.622 62.300 0.135 0.000 0.848 608 V CB 1.025 32.913 31.823 0.109 0.000 0.998 608 V HN 0.967 nan 8.190 nan 0.000 0.424 609 N N 2.747 121.523 118.700 0.127 0.000 2.882 609 N HA -0.193 4.547 4.740 0.000 0.000 0.249 609 N C 0.372 175.946 175.510 0.106 0.000 1.079 609 N CA 0.280 53.400 53.050 0.116 0.000 0.800 609 N CB -0.592 37.968 38.487 0.122 0.000 1.124 609 N HN 0.973 nan 8.380 nan 0.000 0.557 610 H N 1.924 120.935 119.070 -0.098 0.000 3.034 610 H HA -0.025 4.531 4.556 0.000 0.000 0.324 610 H C 0.553 175.761 175.328 -0.202 0.000 1.015 610 H CA 1.556 57.355 56.048 -0.416 0.000 1.429 610 H CB 0.470 29.887 29.762 -0.575 0.000 1.429 610 H HN 0.198 nan 8.280 nan 0.000 0.585 611 K N 3.350 123.348 120.400 -0.670 0.000 3.016 611 K HA -0.282 4.038 4.320 0.000 0.000 0.262 611 K C 0.191 176.699 176.600 -0.153 0.000 1.043 611 K CA 1.116 57.164 56.287 -0.398 0.000 0.761 611 K CB -0.906 31.337 32.500 -0.429 0.000 1.230 611 K HN 0.919 nan 8.250 nan 0.000 0.485 612 D N -1.491 118.863 120.400 -0.077 0.000 2.983 612 D HA -0.252 4.388 4.640 0.000 0.000 0.225 612 D C 1.168 177.461 176.300 -0.012 0.000 1.174 612 D CA 1.401 55.391 54.000 -0.018 0.000 0.831 612 D CB -1.276 39.515 40.800 -0.014 0.000 1.104 612 D HN 0.604 nan 8.370 nan 0.000 0.421 613 C N -0.962 118.328 119.300 -0.018 0.000 2.419 613 C HA 0.135 4.595 4.460 0.000 0.000 0.283 613 C C 1.626 176.625 174.990 0.016 0.000 1.373 613 C CA 0.836 59.853 59.018 -0.001 0.000 1.781 613 C CB -0.799 26.945 27.740 0.007 0.000 1.886 613 C HN 0.542 nan 8.230 nan 0.000 0.520 614 R N 0.262 120.777 120.500 0.026 0.000 3.656 614 R HA -0.115 4.225 4.340 0.000 0.000 0.297 614 R C 0.421 176.742 176.300 0.036 0.000 1.166 614 R CA 0.534 56.654 56.100 0.033 0.000 0.799 614 R CB -2.132 28.183 30.300 0.025 0.000 1.285 614 R HN 0.866 nan 8.270 nan 0.000 0.477 615 G N -1.005 107.819 108.800 0.040 0.000 2.658 615 G HA2 0.774 4.734 3.960 0.000 0.000 0.292 615 G HA3 0.774 4.734 3.960 0.000 0.000 0.292 615 G C -1.216 173.713 174.900 0.049 0.000 1.320 615 G CA -0.083 45.042 45.100 0.042 0.000 0.933 615 G HN 0.256 nan 8.290 nan 0.000 0.476 616 A N 0.108 122.957 122.820 0.049 0.000 2.274 616 A HA 0.660 4.980 4.320 0.000 0.000 0.309 616 A C 0.031 177.640 177.584 0.042 0.000 1.226 616 A CA -0.460 51.607 52.037 0.050 0.000 0.853 616 A CB 0.750 19.782 19.000 0.053 0.000 1.146 616 A HN 0.635 nan 8.150 nan 0.000 0.518 617 E N 2.822 123.036 120.200 0.024 0.000 2.167 617 E HA 0.508 4.858 4.350 0.000 0.000 0.284 617 E C -1.210 175.394 176.600 0.007 0.000 1.016 617 E CA -0.274 56.126 56.400 0.000 0.000 0.817 617 E CB 0.516 30.179 29.700 -0.062 0.000 1.080 617 E HN 0.593 nan 8.360 nan 0.000 0.397 618 I N 6.738 127.329 120.570 0.036 0.000 2.433 618 I HA 0.340 4.510 4.170 0.000 0.000 0.292 618 I C -1.978 174.164 176.117 0.041 0.000 1.001 618 I CA -2.201 59.127 61.300 0.047 0.000 1.119 618 I CB 1.787 39.841 38.000 0.090 0.000 1.289 618 I HN 0.484 nan 8.210 nan 0.000 0.438 619 P HA 0.311 nan 4.420 nan 0.000 0.285 619 P C -1.216 176.076 177.300 -0.013 0.000 1.259 619 P CA -0.153 62.867 63.100 -0.133 0.000 0.794 619 P CB 0.678 32.298 31.700 -0.132 0.000 0.940 620 F N 0.603 120.575 119.950 0.035 0.000 2.556 620 F HA 0.557 5.085 4.527 0.000 0.000 0.327 620 F C -0.305 175.565 175.800 0.117 0.000 1.059 620 F CA -1.851 56.210 58.000 0.102 0.000 0.953 620 F CB 0.265 39.358 39.000 0.155 0.000 1.227 620 F HN -0.015 nan 8.300 nan 0.000 0.478 621 V N 2.443 122.622 119.914 0.441 0.000 2.540 621 V HA 0.062 4.182 4.120 0.000 0.000 0.297 621 V C -1.581 174.809 176.094 0.493 0.000 1.024 621 V CA -0.737 61.772 62.300 0.348 0.000 1.105 621 V CB 0.644 32.704 31.823 0.395 0.000 0.938 621 V HN 0.699 nan 8.190 nan 0.000 0.482 622 P HA 0.049 nan 4.420 nan 0.000 0.239 622 P C -0.073 177.483 177.300 0.427 0.000 1.184 622 P CA 0.894 64.185 63.100 0.317 0.000 0.760 622 P CB 0.262 32.032 31.700 0.117 0.000 0.884 623 D N -2.162 118.491 120.400 0.422 0.000 2.759 623 D HA 0.174 4.814 4.640 0.000 0.000 0.321 623 D C -0.710 175.807 176.300 0.362 0.000 1.267 623 D CA -0.784 53.436 54.000 0.367 0.000 0.933 623 D CB 0.880 41.827 40.800 0.245 0.000 1.431 623 D HN -0.390 nan 8.370 nan 0.000 0.504 624 I N 1.398 122.109 120.570 0.235 0.000 2.821 624 I HA 0.204 4.374 4.170 0.000 0.000 0.294 624 I C 0.758 176.763 176.117 -0.185 0.000 1.210 624 I CA -0.010 61.323 61.300 0.054 0.000 1.430 624 I CB -0.911 37.095 38.000 0.011 0.000 1.356 624 I HN 0.386 nan 8.210 nan 0.000 0.563 625 A N 5.763 128.186 122.820 -0.661 0.000 2.366 625 A HA 0.355 4.675 4.320 0.000 0.000 0.272 625 A C 0.519 177.740 177.584 -0.605 0.000 1.135 625 A CA -0.293 51.489 52.037 -0.425 0.000 0.804 625 A CB 0.506 19.313 19.000 -0.323 0.000 1.064 625 A HN 0.740 nan 8.150 nan 0.000 0.499 626 S N 1.017 116.116 115.700 -1.001 0.000 2.580 626 S HA 0.164 4.634 4.470 0.000 0.000 0.274 626 S C 0.796 175.067 174.600 -0.548 0.000 1.329 626 S CA -0.506 57.204 58.200 -0.817 0.000 1.036 626 S CB 0.367 62.950 63.200 -1.027 0.000 0.919 626 S HN 0.659 nan 8.310 nan 0.000 0.515 627 D N 2.085 122.304 120.400 -0.301 0.000 2.191 627 D HA -0.169 4.471 4.640 0.000 0.000 0.195 627 D C 1.479 177.728 176.300 -0.085 0.000 1.003 627 D CA 1.758 55.668 54.000 -0.149 0.000 0.867 627 D CB -0.214 40.526 40.800 -0.101 0.000 0.926 627 D HN 0.836 nan 8.370 nan 0.000 0.450 628 D N -0.479 119.857 120.400 -0.106 0.000 2.371 628 D HA -0.148 4.492 4.640 0.000 0.000 0.221 628 D C 1.742 178.154 176.300 0.187 0.000 0.986 628 D CA 0.131 54.143 54.000 0.021 0.000 0.899 628 D CB -0.561 40.252 40.800 0.020 0.000 0.902 628 D HN 0.144 nan 8.370 nan 0.000 0.530 629 F N 1.298 121.237 119.950 -0.019 0.000 2.186 629 F HA 0.190 4.717 4.527 0.000 0.000 0.299 629 F C 1.527 177.327 175.800 -0.000 0.000 1.090 629 F CA -0.489 57.504 58.000 -0.011 0.000 1.307 629 F CB -0.663 38.325 39.000 -0.019 0.000 1.019 629 F HN -0.001 nan 8.300 nan 0.000 0.489 630 I N 0.370 121.062 120.570 0.204 0.000 2.519 630 I HA -0.002 4.168 4.170 0.000 0.000 0.287 630 I C 1.225 177.393 176.117 0.085 0.000 1.047 630 I CA 0.109 61.482 61.300 0.122 0.000 1.381 630 I CB 1.111 39.177 38.000 0.109 0.000 1.417 630 I HN 0.007 nan 8.210 nan 0.000 0.540 631 K N 4.379 124.814 120.400 0.058 0.000 2.218 631 K HA 0.127 4.447 4.320 0.000 0.000 0.214 631 K C -0.086 176.534 176.600 0.035 0.000 1.033 631 K CA 0.003 56.315 56.287 0.042 0.000 0.949 631 K CB 0.240 32.756 32.500 0.027 0.000 0.993 631 K HN 0.605 nan 8.250 nan 0.000 0.464 632 D N 0.980 121.397 120.400 0.030 0.000 2.277 632 D HA 0.164 4.805 4.640 0.000 0.000 0.250 632 D C -0.522 175.801 176.300 0.037 0.000 1.032 632 D CA -0.155 53.862 54.000 0.028 0.000 0.947 632 D CB 1.921 42.733 40.800 0.019 0.000 1.159 632 D HN 0.058 nan 8.370 nan 0.000 0.460 633 S N -0.234 115.487 115.700 0.035 0.000 2.593 633 S HA 0.107 4.577 4.470 0.000 0.000 0.269 633 S C 0.742 175.371 174.600 0.048 0.000 1.334 633 S CA -0.221 58.004 58.200 0.042 0.000 1.015 633 S CB 0.934 64.154 63.200 0.034 0.000 0.912 633 S HN 0.513 nan 8.310 nan 0.000 0.541 634 S N -0.442 115.294 115.700 0.061 0.000 3.586 634 S HA -0.159 4.311 4.470 0.000 0.000 0.309 634 S C -0.110 174.547 174.600 0.095 0.000 1.195 634 S CA 0.538 58.781 58.200 0.073 0.000 0.895 634 S CB -1.613 61.620 63.200 0.055 0.000 0.983 634 S HN 0.747 nan 8.310 nan 0.000 0.563 635 C N 0.631 119.995 119.300 0.106 0.000 3.044 635 C HA 0.977 5.437 4.460 0.000 0.000 0.315 635 C C -0.367 174.747 174.990 0.206 0.000 1.320 635 C CA -0.889 58.191 59.018 0.103 0.000 1.582 635 C CB 1.430 29.186 27.740 0.027 0.000 2.039 635 C HN 0.647 nan 8.230 nan 0.000 0.466 636 F N 0.604 120.593 119.950 0.066 0.000 2.601 636 F HA 0.835 5.362 4.527 0.000 0.000 0.309 636 F C -1.450 174.414 175.800 0.106 0.000 1.089 636 F CA -1.257 56.794 58.000 0.084 0.000 0.940 636 F CB 1.119 40.163 39.000 0.073 0.000 1.273 636 F HN 0.391 nan 8.300 nan 0.000 0.450 637 L N 5.638 127.040 121.223 0.298 0.000 2.377 637 L HA 0.647 4.988 4.340 0.000 0.000 0.270 637 L C -2.714 174.406 176.870 0.418 0.000 0.991 637 L CA -2.363 52.610 54.840 0.222 0.000 0.851 637 L CB 1.576 43.756 42.059 0.202 0.000 1.218 637 L HN 0.456 nan 8.230 nan 0.000 0.420 638 P HA 0.206 nan 4.420 nan 0.000 0.271 638 P C -1.733 175.856 177.300 0.481 0.000 1.216 638 P CA 0.243 63.586 63.100 0.405 0.000 0.776 638 P CB 0.558 32.481 31.700 0.372 0.000 0.881 639 Y N -0.141 120.299 120.300 0.235 0.000 2.597 639 Y HA 0.564 5.114 4.550 0.000 0.000 0.340 639 Y C -1.406 174.628 175.900 0.223 0.000 1.097 639 Y CA -1.621 56.655 58.100 0.293 0.000 1.037 639 Y CB 1.071 39.684 38.460 0.255 0.000 1.305 639 Y HN 0.432 nan 8.280 nan 0.000 0.463 640 W N 3.518 124.959 121.300 0.235 0.000 2.365 640 W HA 0.450 5.110 4.660 0.000 0.000 0.316 640 W C -1.121 175.449 176.519 0.086 0.000 1.164 640 W CA -0.461 56.900 57.345 0.026 0.000 1.204 640 W CB 1.768 31.356 29.460 0.213 0.000 1.213 640 W HN 0.895 nan 8.180 nan 0.000 0.539 641 E N 4.385 124.109 120.200 -0.792 0.000 2.256 641 E HA 0.018 4.368 4.350 0.000 0.000 0.243 641 E C 0.515 176.523 176.600 -0.987 0.000 0.925 641 E CA -0.161 55.877 56.400 -0.603 0.000 0.748 641 E CB 0.498 29.922 29.700 -0.459 0.000 1.206 641 E HN 0.606 nan 8.360 nan 0.000 0.428 642 N N 3.246 121.541 118.700 -0.675 0.000 2.166 642 N HA -0.213 4.527 4.740 0.000 0.000 0.186 642 N C 1.524 176.927 175.510 -0.178 0.000 1.019 642 N CA 1.759 54.619 53.050 -0.317 0.000 0.856 642 N CB 0.088 38.678 38.487 0.171 0.000 0.993 642 N HN 0.525 nan 8.380 nan 0.000 0.426 643 N N -0.532 118.075 118.700 -0.156 0.000 2.571 643 N HA -0.058 4.682 4.740 0.000 0.000 0.189 643 N C 0.359 175.793 175.510 -0.127 0.000 1.154 643 N CA 1.187 54.180 53.050 -0.096 0.000 0.907 643 N CB -0.186 38.265 38.487 -0.059 0.000 0.977 643 N HN 0.322 nan 8.380 nan 0.000 0.449 644 S N -2.824 112.744 115.700 -0.220 0.000 2.787 644 S HA 0.115 4.585 4.470 0.000 0.000 0.255 644 S C 0.039 174.493 174.600 -0.243 0.000 1.051 644 S CA -0.001 58.080 58.200 -0.198 0.000 1.124 644 S CB -0.478 62.602 63.200 -0.199 0.000 1.104 644 S HN 0.116 nan 8.310 nan 0.000 0.623 645 T N 1.502 115.849 114.554 -0.345 0.000 3.803 645 T HA -0.135 4.215 4.350 0.000 0.000 0.376 645 T C -0.114 174.329 174.700 -0.428 0.000 0.761 645 T CA 1.026 62.939 62.100 -0.311 0.000 1.962 645 T CB -2.311 66.561 68.868 0.006 0.000 1.780 645 T HN 0.624 nan 8.240 nan 0.000 0.771 646 S N -0.022 115.197 115.700 -0.803 0.000 2.599 646 S HA 0.790 5.260 4.470 0.000 0.000 0.287 646 S C -0.689 173.515 174.600 -0.659 0.000 1.105 646 S CA -1.020 56.858 58.200 -0.536 0.000 0.899 646 S CB 2.133 65.112 63.200 -0.369 0.000 1.100 646 S HN 0.307 nan 8.310 nan 0.000 0.482 647 L N 2.743 123.773 121.223 -0.322 0.000 2.282 647 L HA 0.573 4.913 4.340 0.000 0.000 0.288 647 L C -0.431 176.226 176.870 -0.355 0.000 1.033 647 L CA -0.024 54.648 54.840 -0.280 0.000 0.807 647 L CB 0.596 42.557 42.059 -0.163 0.000 1.209 647 L HN 0.494 nan 8.230 nan 0.000 0.423 648 K N 3.264 123.331 120.400 -0.554 0.000 2.280 648 K HA 0.898 5.218 4.320 0.000 0.000 0.234 648 K C -1.141 175.193 176.600 -0.445 0.000 1.028 648 K CA -0.854 55.057 56.287 -0.627 0.000 0.882 648 K CB 1.842 33.680 32.500 -1.102 0.000 1.194 648 K HN 0.535 nan 8.250 nan 0.000 0.458 649 A N 1.469 124.190 122.820 -0.164 0.000 2.446 649 A HA 0.358 4.679 4.320 0.000 0.000 0.282 649 A C -1.271 176.502 177.584 0.314 0.000 1.102 649 A CA -0.684 51.445 52.037 0.153 0.000 0.737 649 A CB 0.607 19.626 19.000 0.032 0.000 1.212 649 A HN 0.484 nan 8.150 nan 0.000 0.434 650 L N 3.968 125.487 121.223 0.494 0.000 2.369 650 L HA 0.558 4.898 4.340 0.000 0.000 0.279 650 L C -0.719 176.307 176.870 0.260 0.000 1.108 650 L CA 0.382 55.420 54.840 0.330 0.000 0.852 650 L CB 0.650 42.839 42.059 0.216 0.000 1.169 650 L HN 0.390 nan 8.230 nan 0.000 0.452 651 V N 5.753 125.779 119.914 0.186 0.000 2.513 651 V HA 0.429 4.549 4.120 0.000 0.000 0.299 651 V C -0.104 176.060 176.094 0.118 0.000 1.035 651 V CA -0.843 61.559 62.300 0.170 0.000 0.889 651 V CB 1.689 33.584 31.823 0.120 0.000 0.988 651 V HN 0.751 nan 8.190 nan 0.000 0.440 652 K N 4.696 125.165 120.400 0.115 0.000 2.404 652 K HA 0.423 4.743 4.320 0.000 0.000 0.257 652 K C 0.020 176.664 176.600 0.074 0.000 1.026 652 K CA -0.585 55.749 56.287 0.079 0.000 0.951 652 K CB 0.589 33.132 32.500 0.072 0.000 1.203 652 K HN 0.607 nan 8.250 nan 0.000 0.446 653 K N 3.234 123.669 120.400 0.059 0.000 2.402 653 K HA -0.022 4.298 4.320 0.000 0.000 0.265 653 K C -1.616 175.010 176.600 0.044 0.000 0.978 653 K CA -1.159 55.158 56.287 0.050 0.000 0.913 653 K CB 0.195 32.717 32.500 0.036 0.000 0.954 653 K HN 0.388 nan 8.250 nan 0.000 0.511 654 P HA -0.163 nan 4.420 nan 0.000 0.228 654 P C 0.100 177.417 177.300 0.027 0.000 1.151 654 P CA 1.404 64.525 63.100 0.034 0.000 0.770 654 P CB -0.257 31.462 31.700 0.031 0.000 0.786 655 N N -1.539 117.176 118.700 0.025 0.000 2.336 655 N HA 0.136 4.876 4.740 0.000 0.000 0.189 655 N C 1.272 176.794 175.510 0.020 0.000 1.113 655 N CA 0.450 53.513 53.050 0.020 0.000 0.858 655 N CB -0.147 38.350 38.487 0.017 0.000 0.970 655 N HN 0.022 nan 8.380 nan 0.000 0.471 656 G N 0.350 109.166 108.800 0.025 0.000 2.217 656 G HA2 -0.293 3.667 3.960 0.000 0.000 0.246 656 G HA3 -0.293 3.667 3.960 0.000 0.000 0.246 656 G C -0.262 174.652 174.900 0.025 0.000 0.990 656 G CA -0.098 45.017 45.100 0.025 0.000 0.627 656 G HN 0.486 nan 8.290 nan 0.000 0.522 657 E N 0.174 120.388 120.200 0.023 0.000 2.354 657 E HA 0.492 4.842 4.350 0.000 0.000 0.269 657 E C -0.193 176.424 176.600 0.029 0.000 1.036 657 E CA -0.558 55.855 56.400 0.021 0.000 0.876 657 E CB 1.063 30.774 29.700 0.017 0.000 1.009 657 E HN 0.134 nan 8.360 nan 0.000 0.416 658 L N 2.583 123.821 121.223 0.026 0.000 2.334 658 L HA 0.447 4.787 4.340 0.000 0.000 0.277 658 L C -0.357 176.532 176.870 0.032 0.000 1.075 658 L CA -0.248 54.612 54.840 0.034 0.000 0.804 658 L CB 1.566 43.639 42.059 0.023 0.000 1.174 658 L HN 0.274 nan 8.230 nan 0.000 0.438 659 V N 3.862 123.804 119.914 0.046 0.000 2.969 659 V HA 0.557 4.677 4.120 0.000 0.000 0.304 659 V C -1.081 175.054 176.094 0.068 0.000 1.192 659 V CA -0.738 61.588 62.300 0.043 0.000 0.962 659 V CB 2.380 34.221 31.823 0.030 0.000 1.045 659 V HN 0.764 nan 8.190 nan 0.000 0.428 660 R N 5.922 126.465 120.500 0.070 0.000 2.295 660 R HA 0.742 5.082 4.340 0.000 0.000 0.324 660 R C -1.040 175.291 176.300 0.051 0.000 0.968 660 R CA -0.448 55.720 56.100 0.114 0.000 0.837 660 R CB 1.497 31.893 30.300 0.161 0.000 1.133 660 R HN 0.594 nan 8.270 nan 0.000 0.450 661 L N 1.126 122.364 121.223 0.025 0.000 2.303 661 L HA 0.526 4.866 4.340 0.000 0.000 0.266 661 L C 0.146 176.961 176.870 -0.092 0.000 1.011 661 L CA -1.066 53.751 54.840 -0.038 0.000 0.818 661 L CB 2.233 44.257 42.059 -0.058 0.000 1.326 661 L HN 0.503 nan 8.230 nan 0.000 0.435 662 T N 1.474 115.964 114.554 -0.107 0.000 2.817 662 T HA 0.249 4.600 4.350 0.000 0.000 0.293 662 T C 0.486 175.099 174.700 -0.145 0.000 0.964 662 T CA -0.202 61.812 62.100 -0.143 0.000 1.085 662 T CB 1.745 70.540 68.868 -0.121 0.000 0.921 662 T HN 0.372 nan 8.240 nan 0.000 0.502 663 L N 3.163 124.286 121.223 -0.167 0.000 2.433 663 L HA 0.681 5.021 4.340 0.000 0.000 0.200 663 L C 0.562 177.363 176.870 -0.115 0.000 1.059 663 L CA 0.776 55.525 54.840 -0.152 0.000 0.835 663 L CB 0.030 41.999 42.059 -0.150 0.000 1.076 663 L HN 0.711 nan 8.230 nan 0.000 0.481 664 A N -1.185 121.567 122.820 -0.113 0.000 2.427 664 A HA 0.709 5.029 4.320 0.000 0.000 0.298 664 A C -0.617 176.917 177.584 -0.083 0.000 1.036 664 A CA 0.168 52.160 52.037 -0.075 0.000 0.701 664 A CB 0.904 19.881 19.000 -0.039 0.000 1.250 664 A HN 0.248 nan 8.150 nan 0.000 0.412 665 T N -0.272 114.245 114.554 -0.062 0.000 2.838 665 T HA 0.740 5.090 4.350 0.000 0.000 0.292 665 T C 0.083 174.765 174.700 -0.030 0.000 1.113 665 T CA -0.774 61.288 62.100 -0.064 0.000 1.008 665 T CB 0.576 69.397 68.868 -0.078 0.000 1.259 665 T HN 0.515 nan 8.240 nan 0.000 0.520 666 L N 0.000 121.207 121.223 -0.026 0.000 2.949 666 L HA 0.000 4.340 4.340 0.000 0.000 0.249 666 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 666 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502