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 1txt_1_B DATA FIRST_RESID 2 DATA SEQUENCE TIGIDKINFY VPKYYVDMAK LAEARQVDPN KFLIGIGQTE MAVSPVNQDI DATA SEQUENCE VSMGANAAKD IITDEDKKKI GMVIVATESA VDAAKAAAVQ IHNLLGIQPF DATA SEQUENCE ARCFEMKEAX YAATPAIQLA KDYLATRPNE KVLVIATDTA RYGLNSGGEP DATA SEQUENCE TQGAGAVAMV IAHNPSILAL NEDAVAYTED VYDFWRPTGH KYPLVDGALS DATA SEQUENCE KDAYIRSFQQ SWNEYAKRQG KSLADFASLC FHVPFTKMGK KALESIIDNA DATA SEQUENCE DETTQERLRS GYEDAVDYNR YVGNIYTGSL YLSLISLLEN RDLQAGETIG DATA SEQUENCE LFSYGSGSVV EFYSATLVEG YKDHLDQAAH KALLNNRTEV SVDAYETFFK DATA SEQUENCE RFDDVEFDEE QDAVHEDRHI FYLSNIENNV REYHRPE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.621 174.700 -0.131 0.000 1.109 2 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 3 I N 0.454 120.921 120.570 -0.172 0.000 2.582 3 I HA 0.819 4.798 4.170 -0.318 0.000 0.292 3 I C 0.636 176.682 176.117 -0.119 0.000 1.066 3 I CA -0.283 60.873 61.300 -0.240 0.000 1.053 3 I CB 2.151 39.951 38.000 -0.334 0.000 1.241 3 I HN 1.278 nan 8.210 nan 0.000 0.421 4 G N 4.826 113.575 108.800 -0.086 0.000 2.500 4 G HA2 0.451 4.220 3.960 -0.318 0.000 0.299 4 G HA3 0.451 4.220 3.960 -0.318 0.000 0.299 4 G C -1.172 173.705 174.900 -0.039 0.000 1.242 4 G CA -0.817 44.251 45.100 -0.054 0.000 0.859 4 G HN 0.411 nan 8.290 nan 0.000 0.481 5 I N 1.641 122.200 120.570 -0.019 0.000 2.494 5 I HA 0.124 4.103 4.170 -0.318 0.000 0.289 5 I C 0.802 176.924 176.117 0.008 0.000 1.106 5 I CA 0.205 61.502 61.300 -0.004 0.000 1.369 5 I CB 1.228 39.240 38.000 0.021 0.000 1.410 5 I HN 0.643 nan 8.210 nan 0.000 0.523 6 D N 5.814 126.217 120.400 0.006 0.000 2.269 6 D HA 0.044 4.493 4.640 -0.318 0.000 0.220 6 D C 0.358 176.673 176.300 0.026 0.000 0.962 6 D CA 1.350 55.350 54.000 -0.000 0.000 0.884 6 D CB 0.614 41.415 40.800 0.002 0.000 1.023 6 D HN 0.271 nan 8.370 nan 0.000 0.484 7 K N -0.060 120.372 120.400 0.054 0.000 2.477 7 K HA 0.533 4.662 4.320 -0.318 0.000 0.255 7 K C -1.140 175.517 176.600 0.096 0.000 0.952 7 K CA -0.887 55.457 56.287 0.095 0.000 0.826 7 K CB 2.965 35.518 32.500 0.088 0.000 1.331 7 K HN 0.154 nan 8.250 nan 0.000 0.437 8 I N 0.941 121.594 120.570 0.138 0.000 2.753 8 I HA 0.365 4.344 4.170 -0.318 0.000 0.291 8 I C -2.161 174.083 176.117 0.211 0.000 1.425 8 I CA -0.320 61.068 61.300 0.146 0.000 1.039 8 I CB 2.148 40.237 38.000 0.148 0.000 1.349 8 I HN 0.724 nan 8.210 nan 0.000 0.430 9 N N 5.348 124.171 118.700 0.206 0.000 2.591 9 N HA 0.644 5.193 4.740 -0.318 0.000 0.263 9 N C -1.795 173.876 175.510 0.268 0.000 1.308 9 N CA -0.539 52.669 53.050 0.263 0.000 0.837 9 N CB 1.857 40.485 38.487 0.235 0.000 1.548 9 N HN 0.528 nan 8.380 nan 0.000 0.493 10 F N -0.028 119.941 119.950 0.031 0.000 2.618 10 F HA 0.792 5.095 4.527 -0.375 0.000 0.332 10 F C -1.539 174.350 175.800 0.149 0.000 1.061 10 F CA -0.933 57.099 58.000 0.053 0.000 0.974 10 F CB 1.342 40.330 39.000 -0.019 0.000 1.310 10 F HN 0.441 nan 8.300 nan 0.000 0.491 11 Y N 1.997 122.357 120.300 0.099 0.000 2.504 11 Y HA 0.663 5.040 4.550 -0.288 0.000 0.344 11 Y C -1.520 174.470 175.900 0.150 0.000 1.023 11 Y CA -1.135 56.961 58.100 -0.007 0.000 1.020 11 Y CB 1.958 40.437 38.460 0.033 0.000 1.282 11 Y HN 0.830 nan 8.280 nan 0.000 0.454 12 V N 2.447 121.980 119.914 -0.635 0.000 3.130 12 V HA 0.832 4.761 4.120 -0.318 0.000 0.310 12 V C -2.999 172.622 176.094 -0.789 0.000 1.158 12 V CA -2.874 59.183 62.300 -0.405 0.000 1.029 12 V CB 1.754 33.531 31.823 -0.076 0.000 1.057 12 V HN 0.642 nan 8.190 nan 0.000 0.436 13 P HA 0.270 nan 4.420 nan 0.000 0.272 13 P C 0.034 177.186 177.300 -0.247 0.000 1.240 13 P CA -0.403 62.570 63.100 -0.211 0.000 0.791 13 P CB 0.360 32.032 31.700 -0.047 0.000 0.978 14 K N 0.290 120.514 120.400 -0.294 0.000 2.505 14 K HA 0.042 4.171 4.320 -0.318 0.000 0.192 14 K C -0.471 175.882 176.600 -0.411 0.000 1.025 14 K CA 0.448 56.517 56.287 -0.362 0.000 1.086 14 K CB -0.310 31.928 32.500 -0.436 0.000 0.840 14 K HN 0.429 nan 8.250 nan 0.000 0.514 15 Y N 0.515 120.758 120.300 -0.094 0.000 2.524 15 Y HA 0.397 4.753 4.550 -0.323 0.000 0.344 15 Y C -0.450 175.439 175.900 -0.019 0.000 1.012 15 Y CA -1.628 56.391 58.100 -0.136 0.000 1.068 15 Y CB 1.514 39.796 38.460 -0.295 0.000 1.249 15 Y HN 0.064 nan 8.280 nan 0.000 0.468 16 Y N -1.034 119.346 120.300 0.133 0.000 2.588 16 Y HA 0.774 5.220 4.550 -0.173 0.000 0.343 16 Y C -1.996 173.938 175.900 0.056 0.000 1.065 16 Y CA -1.594 56.546 58.100 0.066 0.000 1.038 16 Y CB 0.843 39.333 38.460 0.050 0.000 1.297 16 Y HN 0.470 nan 8.280 nan 0.000 0.467 17 V N 1.610 121.631 119.914 0.179 0.000 2.667 17 V HA 0.408 4.337 4.120 -0.318 0.000 0.308 17 V C -1.033 175.188 176.094 0.211 0.000 1.048 17 V CA -0.583 61.757 62.300 0.066 0.000 0.928 17 V CB 1.710 33.461 31.823 -0.120 0.000 1.004 17 V HN 0.962 nan 8.190 nan 0.000 0.444 18 D N 5.037 125.535 120.400 0.163 0.000 2.343 18 D HA 0.173 4.622 4.640 -0.318 0.000 0.255 18 D C 1.064 177.416 176.300 0.085 0.000 1.187 18 D CA -0.268 53.836 54.000 0.174 0.000 0.875 18 D CB 1.076 41.966 40.800 0.150 0.000 1.136 18 D HN 0.463 nan 8.370 nan 0.000 0.469 19 M N 3.276 122.922 119.600 0.076 0.000 2.213 19 M HA -0.091 4.198 4.480 -0.318 0.000 0.263 19 M C 1.937 178.327 176.300 0.150 0.000 1.062 19 M CA 0.947 56.316 55.300 0.115 0.000 1.105 19 M CB -1.293 31.357 32.600 0.084 0.000 1.385 19 M HN 0.631 nan 8.290 nan 0.000 0.417 20 A N 0.640 123.502 122.820 0.070 0.000 1.902 20 A HA -0.174 3.955 4.320 -0.318 0.000 0.217 20 A C 2.288 179.868 177.584 -0.006 0.000 1.181 20 A CA 1.526 53.570 52.037 0.012 0.000 0.623 20 A CB -0.454 18.549 19.000 0.005 0.000 0.818 20 A HN 0.461 nan 8.150 nan 0.000 0.443 21 K N -0.857 119.555 120.400 0.021 0.000 2.057 21 K HA -0.094 4.035 4.320 -0.318 0.000 0.206 21 K C 1.921 178.525 176.600 0.006 0.000 1.050 21 K CA 1.258 57.550 56.287 0.010 0.000 0.935 21 K CB -0.479 32.035 32.500 0.023 0.000 0.715 21 K HN 0.390 nan 8.250 nan 0.000 0.439 22 L N 1.589 122.828 121.223 0.028 0.000 2.042 22 L HA -0.170 3.979 4.340 -0.318 0.000 0.210 22 L C 2.288 179.196 176.870 0.064 0.000 1.076 22 L CA 1.849 56.718 54.840 0.048 0.000 0.749 22 L CB -0.763 41.325 42.059 0.048 0.000 0.893 22 L HN 0.144 nan 8.230 nan 0.000 0.432 23 A N -0.736 122.068 122.820 -0.027 0.000 1.883 23 A HA -0.261 3.868 4.320 -0.318 0.000 0.217 23 A C 2.141 179.584 177.584 -0.234 0.000 1.186 23 A CA 1.900 53.699 52.037 -0.397 0.000 0.624 23 A CB -0.744 17.773 19.000 -0.804 0.000 0.822 23 A HN 0.601 nan 8.150 nan 0.000 0.444 24 E N -0.281 119.833 120.200 -0.144 0.000 2.070 24 E HA -0.190 3.969 4.350 -0.318 0.000 0.197 24 E C 2.276 178.837 176.600 -0.066 0.000 1.004 24 E CA 1.249 57.592 56.400 -0.096 0.000 0.805 24 E CB -0.371 29.292 29.700 -0.061 0.000 0.744 24 E HN 0.622 nan 8.360 nan 0.000 0.451 25 A N 1.007 123.806 122.820 -0.036 0.000 1.986 25 A HA -0.173 3.956 4.320 -0.318 0.000 0.220 25 A C 1.834 179.410 177.584 -0.014 0.000 1.171 25 A CA 1.275 53.307 52.037 -0.009 0.000 0.640 25 A CB -0.175 18.840 19.000 0.024 0.000 0.811 25 A HN 0.006 nan 8.150 nan 0.000 0.451 26 R N -0.874 119.606 120.500 -0.032 0.000 2.427 26 R HA 0.101 4.250 4.340 -0.318 0.000 0.262 26 R C -0.181 176.080 176.300 -0.064 0.000 0.943 26 R CA 0.311 56.397 56.100 -0.024 0.000 1.081 26 R CB -0.014 30.307 30.300 0.034 0.000 1.166 26 R HN 0.678 nan 8.270 nan 0.000 0.534 27 Q N -0.965 118.785 119.800 -0.084 0.000 2.503 27 Q HA -0.130 4.019 4.340 -0.318 0.000 0.267 27 Q C 0.191 176.115 176.000 -0.126 0.000 1.030 27 Q CA 1.158 56.908 55.803 -0.087 0.000 1.041 27 Q CB -2.825 25.878 28.738 -0.058 0.000 1.406 27 Q HN 0.329 nan 8.270 nan 0.000 0.524 28 V N -2.810 116.981 119.914 -0.206 0.000 2.919 28 V HA 0.711 4.640 4.120 -0.318 0.000 0.316 28 V C 0.057 175.971 176.094 -0.301 0.000 1.077 28 V CA -0.968 61.172 62.300 -0.267 0.000 0.977 28 V CB 2.354 33.961 31.823 -0.359 0.000 1.039 28 V HN 0.085 nan 8.190 nan 0.000 0.441 29 D N 4.160 124.411 120.400 -0.247 0.000 2.382 29 D HA 0.249 4.698 4.640 -0.318 0.000 0.259 29 D C -1.175 174.957 176.300 -0.280 0.000 1.224 29 D CA -1.625 52.253 54.000 -0.204 0.000 0.894 29 D CB 1.485 42.204 40.800 -0.135 0.000 1.127 29 D HN 0.415 nan 8.370 nan 0.000 0.487 30 P HA -0.267 nan 4.420 nan 0.000 0.222 30 P C 0.762 177.972 177.300 -0.151 0.000 1.155 30 P CA 1.278 64.247 63.100 -0.218 0.000 0.890 30 P CB 0.191 31.821 31.700 -0.117 0.000 0.790 31 N N -0.584 118.051 118.700 -0.108 0.000 2.381 31 N HA -0.116 4.433 4.740 -0.318 0.000 0.182 31 N C 1.672 177.157 175.510 -0.043 0.000 1.025 31 N CA 0.756 53.771 53.050 -0.058 0.000 0.888 31 N CB -0.555 37.903 38.487 -0.048 0.000 0.965 31 N HN 0.348 nan 8.380 nan 0.000 0.438 32 K N 0.223 120.569 120.400 -0.090 0.000 2.103 32 K HA -0.089 4.040 4.320 -0.318 0.000 0.207 32 K C 1.654 178.347 176.600 0.155 0.000 1.048 32 K CA 1.148 57.416 56.287 -0.032 0.000 0.930 32 K CB -0.085 32.346 32.500 -0.116 0.000 0.716 32 K HN 0.169 nan 8.250 nan 0.000 0.444 33 F N 0.280 120.165 119.950 -0.107 0.000 2.220 33 F HA -0.048 4.286 4.527 -0.321 0.000 0.290 33 F C 2.024 177.757 175.800 -0.111 0.000 1.080 33 F CA 0.057 57.982 58.000 -0.125 0.000 1.318 33 F CB 0.015 38.943 39.000 -0.120 0.000 1.063 33 F HN -0.073 nan 8.300 nan 0.000 0.498 34 L N -0.132 121.166 121.223 0.126 0.000 2.093 34 L HA -0.158 3.991 4.340 -0.318 0.000 0.208 34 L C 1.851 178.720 176.870 -0.001 0.000 1.085 34 L CA 1.293 56.149 54.840 0.028 0.000 0.755 34 L CB -0.388 41.674 42.059 0.005 0.000 0.904 34 L HN 0.186 nan 8.230 nan 0.000 0.435 35 I N -1.229 119.345 120.570 0.006 0.000 3.443 35 I HA 0.096 4.075 4.170 -0.318 0.000 0.277 35 I C 2.522 178.638 176.117 -0.001 0.000 1.169 35 I CA 0.715 62.012 61.300 -0.006 0.000 1.419 35 I CB -0.444 37.548 38.000 -0.013 0.000 1.331 35 I HN 0.067 nan 8.210 nan 0.000 0.458 36 G N 1.548 110.350 108.800 0.004 0.000 2.511 36 G HA2 -0.201 3.568 3.960 -0.318 0.000 0.216 36 G HA3 -0.201 3.568 3.960 -0.318 0.000 0.216 36 G C 1.605 176.495 174.900 -0.016 0.000 1.218 36 G CA 0.985 46.083 45.100 -0.004 0.000 0.788 36 G HN 0.245 nan 8.290 nan 0.000 0.560 37 I N 0.794 121.334 120.570 -0.051 0.000 2.617 37 I HA 0.168 4.147 4.170 -0.318 0.000 0.256 37 I C 2.033 178.167 176.117 0.029 0.000 1.167 37 I CA 1.020 62.229 61.300 -0.151 0.000 1.469 37 I CB 0.096 37.887 38.000 -0.348 0.000 1.098 37 I HN 0.404 nan 8.210 nan 0.000 0.436 38 G N 0.602 109.403 108.800 0.002 0.000 2.142 38 G HA2 -0.181 3.588 3.960 -0.318 0.000 0.225 38 G HA3 -0.181 3.588 3.960 -0.318 0.000 0.225 38 G C -0.038 174.822 174.900 -0.065 0.000 1.015 38 G CA -0.403 44.693 45.100 -0.007 0.000 0.716 38 G HN 0.251 nan 8.290 nan 0.000 0.508 39 Q N -0.697 119.045 119.800 -0.096 0.000 2.337 39 Q HA 0.650 4.799 4.340 -0.318 0.000 0.270 39 Q C 0.668 176.570 176.000 -0.164 0.000 1.043 39 Q CA -0.199 55.509 55.803 -0.158 0.000 0.794 39 Q CB 1.807 30.445 28.738 -0.167 0.000 1.281 39 Q HN 0.167 nan 8.270 nan 0.000 0.446 40 T N 0.625 115.019 114.554 -0.265 0.000 3.018 40 T HA 0.179 4.338 4.350 -0.318 0.000 0.246 40 T C -0.324 174.300 174.700 -0.126 0.000 1.026 40 T CA 0.448 62.417 62.100 -0.218 0.000 1.081 40 T CB 0.622 69.277 68.868 -0.356 0.000 0.970 40 T HN 0.383 nan 8.240 nan 0.000 0.475 41 E N 0.836 120.946 120.200 -0.150 0.000 2.304 41 E HA 0.415 4.574 4.350 -0.318 0.000 0.277 41 E C -1.281 175.302 176.600 -0.027 0.000 0.898 41 E CA -0.347 56.027 56.400 -0.044 0.000 0.764 41 E CB 2.564 32.164 29.700 -0.167 0.000 1.216 41 E HN 0.141 nan 8.360 nan 0.000 0.419 42 M N 2.592 122.207 119.600 0.026 0.000 2.149 42 M HA 0.593 4.882 4.480 -0.318 0.000 0.342 42 M C -0.674 175.677 176.300 0.085 0.000 1.068 42 M CA -0.463 54.835 55.300 -0.003 0.000 0.991 42 M CB 1.000 33.539 32.600 -0.102 0.000 1.596 42 M HN 0.687 nan 8.290 nan 0.000 0.439 43 A N 4.524 127.388 122.820 0.072 0.000 2.540 43 A HA 0.432 4.561 4.320 -0.318 0.000 0.239 43 A C -0.582 177.054 177.584 0.087 0.000 1.061 43 A CA -0.190 51.900 52.037 0.089 0.000 0.758 43 A CB 0.041 19.064 19.000 0.038 0.000 0.991 43 A HN 0.733 nan 8.150 nan 0.000 0.502 44 V N 2.917 122.884 119.914 0.090 0.000 2.487 44 V HA 0.280 4.209 4.120 -0.318 0.000 0.298 44 V C 0.229 176.305 176.094 -0.029 0.000 1.028 44 V CA -0.472 61.877 62.300 0.082 0.000 0.860 44 V CB 1.928 33.802 31.823 0.086 0.000 0.991 44 V HN 0.903 nan 8.190 nan 0.000 0.427 45 S N 7.829 123.485 115.700 -0.074 0.000 2.448 45 S HA 0.340 4.619 4.470 -0.318 0.000 0.279 45 S C -2.207 172.399 174.600 0.009 0.000 1.195 45 S CA -0.697 57.441 58.200 -0.102 0.000 1.051 45 S CB 0.729 63.638 63.200 -0.485 0.000 0.948 45 S HN 0.626 nan 8.310 nan 0.000 0.493 46 P HA 0.181 nan 4.420 nan 0.000 0.276 46 P C 0.832 178.358 177.300 0.377 0.000 1.244 46 P CA -0.513 62.717 63.100 0.216 0.000 0.801 46 P CB 0.709 32.533 31.700 0.208 0.000 1.006 47 V N 1.053 121.174 119.914 0.346 0.000 2.594 47 V HA -0.207 3.722 4.120 -0.318 0.000 0.253 47 V C 2.032 178.205 176.094 0.131 0.000 1.069 47 V CA 2.209 64.587 62.300 0.131 0.000 1.082 47 V CB -1.486 30.233 31.823 -0.173 0.000 0.680 47 V HN 0.701 nan 8.190 nan 0.000 0.469 48 N N 0.156 118.994 118.700 0.230 0.000 2.434 48 N HA -0.066 4.483 4.740 -0.318 0.000 0.196 48 N C 0.326 176.039 175.510 0.339 0.000 1.183 48 N CA 0.317 53.544 53.050 0.295 0.000 0.849 48 N CB -0.011 38.603 38.487 0.213 0.000 0.992 48 N HN 0.426 nan 8.380 nan 0.000 0.460 49 Q N 1.269 121.269 119.800 0.333 0.000 2.325 49 Q HA 0.237 4.386 4.340 -0.318 0.000 0.270 49 Q C -0.903 175.341 176.000 0.406 0.000 1.020 49 Q CA -0.509 55.516 55.803 0.370 0.000 0.785 49 Q CB 2.125 31.074 28.738 0.352 0.000 1.259 49 Q HN 0.434 nan 8.270 nan 0.000 0.452 50 D N 0.307 120.929 120.400 0.369 0.000 2.627 50 D HA 0.225 4.674 4.640 -0.318 0.000 0.259 50 D C 1.306 177.780 176.300 0.289 0.000 1.164 50 D CA -0.741 53.465 54.000 0.343 0.000 1.087 50 D CB 0.344 41.298 40.800 0.257 0.000 1.217 50 D HN 0.457 nan 8.370 nan 0.000 0.630 51 I N -1.781 118.932 120.570 0.239 0.000 2.614 51 I HA -0.113 3.866 4.170 -0.318 0.000 0.258 51 I C 1.483 177.655 176.117 0.092 0.000 1.189 51 I CA 0.654 62.056 61.300 0.170 0.000 1.462 51 I CB -0.322 37.768 38.000 0.150 0.000 1.092 51 I HN 0.116 nan 8.210 nan 0.000 0.442 52 V N 1.676 121.634 119.914 0.074 0.000 2.379 52 V HA -0.179 3.750 4.120 -0.318 0.000 0.243 52 V C 2.928 178.908 176.094 -0.189 0.000 1.035 52 V CA 1.948 64.184 62.300 -0.107 0.000 1.035 52 V CB -0.537 31.168 31.823 -0.197 0.000 0.673 52 V HN 0.698 nan 8.190 nan 0.000 0.457 53 S N 0.487 116.178 115.700 -0.015 0.000 2.348 53 S HA -0.264 4.015 4.470 -0.318 0.000 0.221 53 S C 2.055 176.633 174.600 -0.038 0.000 1.033 53 S CA 1.868 60.080 58.200 0.020 0.000 1.010 53 S CB -0.660 62.734 63.200 0.323 0.000 0.891 53 S HN 0.452 nan 8.310 nan 0.000 0.442 54 M N 1.777 121.431 119.600 0.089 0.000 2.089 54 M HA -0.085 4.204 4.480 -0.318 0.000 0.257 54 M C 2.626 178.946 176.300 0.034 0.000 1.071 54 M CA 1.835 57.222 55.300 0.144 0.000 1.096 54 M CB -1.602 31.187 32.600 0.315 0.000 1.330 54 M HN 0.594 nan 8.290 nan 0.000 0.403 55 G N 0.135 108.936 108.800 0.003 0.000 2.491 55 G HA2 -0.203 3.566 3.960 -0.318 0.000 0.218 55 G HA3 -0.203 3.566 3.960 -0.318 0.000 0.218 55 G C 1.642 176.451 174.900 -0.151 0.000 1.180 55 G CA 1.361 46.428 45.100 -0.054 0.000 0.774 55 G HN 0.573 nan 8.290 nan 0.000 0.562 56 A N 1.056 123.695 122.820 -0.303 0.000 1.902 56 A HA -0.114 4.015 4.320 -0.318 0.000 0.217 56 A C 2.293 179.718 177.584 -0.265 0.000 1.181 56 A CA 1.939 53.685 52.037 -0.486 0.000 0.623 56 A CB -0.475 17.824 19.000 -1.168 0.000 0.818 56 A HN 0.372 nan 8.150 nan 0.000 0.443 57 N N 0.457 119.027 118.700 -0.216 0.000 2.166 57 N HA -0.122 4.427 4.740 -0.318 0.000 0.186 57 N C 1.855 177.306 175.510 -0.098 0.000 1.019 57 N CA 1.532 54.447 53.050 -0.225 0.000 0.856 57 N CB -0.510 37.472 38.487 -0.843 0.000 0.993 57 N HN 0.493 nan 8.380 nan 0.000 0.426 58 A N 0.736 123.545 122.820 -0.019 0.000 1.930 58 A HA 0.121 4.250 4.320 -0.318 0.000 0.217 58 A C 2.325 179.939 177.584 0.050 0.000 1.175 58 A CA 1.659 53.748 52.037 0.086 0.000 0.627 58 A CB -0.501 18.580 19.000 0.135 0.000 0.815 58 A HN 0.317 nan 8.150 nan 0.000 0.443 59 A N 1.004 123.822 122.820 -0.003 0.000 1.898 59 A HA -0.078 4.051 4.320 -0.318 0.000 0.214 59 A C 2.076 179.667 177.584 0.011 0.000 1.183 59 A CA 1.587 53.617 52.037 -0.011 0.000 0.622 59 A CB -0.464 18.495 19.000 -0.067 0.000 0.824 59 A HN 0.668 nan 8.150 nan 0.000 0.444 60 K N -0.378 120.038 120.400 0.026 0.000 2.152 60 K HA -0.190 3.939 4.320 -0.318 0.000 0.206 60 K C 0.599 177.232 176.600 0.055 0.000 1.048 60 K CA 1.747 58.077 56.287 0.072 0.000 0.933 60 K CB -0.401 32.207 32.500 0.179 0.000 0.721 60 K HN 0.294 nan 8.250 nan 0.000 0.447 61 D N 1.273 121.703 120.400 0.050 0.000 2.347 61 D HA -0.010 4.439 4.640 -0.318 0.000 0.215 61 D C 1.888 178.214 176.300 0.044 0.000 0.976 61 D CA 1.003 55.027 54.000 0.041 0.000 0.884 61 D CB 0.158 40.980 40.800 0.036 0.000 0.915 61 D HN 0.599 nan 8.370 nan 0.000 0.526 62 I N -1.394 119.206 120.570 0.050 0.000 4.070 62 I HA 0.227 4.206 4.170 -0.318 0.000 0.328 62 I C 0.832 176.976 176.117 0.045 0.000 1.298 62 I CA -0.299 61.035 61.300 0.057 0.000 1.173 62 I CB 0.112 38.158 38.000 0.076 0.000 1.051 62 I HN -0.234 nan 8.210 nan 0.000 0.409 63 I N 2.353 122.942 120.570 0.031 0.000 2.315 63 I HA 0.481 4.460 4.170 -0.318 0.000 0.291 63 I C 0.411 176.540 176.117 0.021 0.000 1.006 63 I CA -0.272 61.041 61.300 0.022 0.000 1.265 63 I CB 1.444 39.446 38.000 0.004 0.000 1.387 63 I HN 0.114 nan 8.210 nan 0.000 0.475 64 T N 1.113 115.681 114.554 0.023 0.000 2.862 64 T HA 0.278 4.437 4.350 -0.318 0.000 0.276 64 T C 0.731 175.439 174.700 0.013 0.000 0.974 64 T CA -0.430 61.682 62.100 0.020 0.000 0.966 64 T CB 1.337 70.220 68.868 0.026 0.000 1.072 64 T HN 0.632 nan 8.240 nan 0.000 0.538 65 D N 0.002 120.408 120.400 0.011 0.000 2.178 65 D HA -0.060 4.389 4.640 -0.318 0.000 0.201 65 D C 1.857 178.163 176.300 0.010 0.000 0.980 65 D CA 1.085 55.089 54.000 0.006 0.000 0.842 65 D CB -0.113 40.690 40.800 0.004 0.000 0.948 65 D HN 0.653 nan 8.370 nan 0.000 0.472 66 E N 0.676 120.886 120.200 0.016 0.000 2.072 66 E HA -0.110 4.049 4.350 -0.318 0.000 0.191 66 E C 1.495 178.110 176.600 0.025 0.000 0.985 66 E CA 0.756 57.168 56.400 0.021 0.000 0.801 66 E CB -0.046 29.668 29.700 0.024 0.000 0.750 66 E HN 0.188 nan 8.360 nan 0.000 0.452 67 D N 0.363 120.777 120.400 0.024 0.000 2.133 67 D HA -0.181 4.268 4.640 -0.318 0.000 0.195 67 D C 1.688 178.001 176.300 0.020 0.000 0.997 67 D CA 1.093 55.108 54.000 0.025 0.000 0.840 67 D CB -0.151 40.661 40.800 0.022 0.000 0.947 67 D HN 0.178 nan 8.370 nan 0.000 0.452 68 K N 0.677 121.080 120.400 0.005 0.000 2.074 68 K HA -0.136 3.993 4.320 -0.318 0.000 0.209 68 K C 2.141 178.747 176.600 0.010 0.000 1.048 68 K CA 1.065 57.344 56.287 -0.012 0.000 0.926 68 K CB 0.011 32.493 32.500 -0.030 0.000 0.713 68 K HN 0.097 nan 8.250 nan 0.000 0.444 69 K N 0.743 121.156 120.400 0.023 0.000 2.097 69 K HA -0.134 3.995 4.320 -0.318 0.000 0.205 69 K C 1.782 178.420 176.600 0.063 0.000 1.050 69 K CA 1.305 57.618 56.287 0.043 0.000 0.938 69 K CB 0.047 32.570 32.500 0.038 0.000 0.718 69 K HN 0.075 nan 8.250 nan 0.000 0.442 70 K N 0.191 120.625 120.400 0.057 0.000 2.379 70 K HA 0.157 4.286 4.320 -0.318 0.000 0.194 70 K C 0.379 177.034 176.600 0.092 0.000 1.031 70 K CA 0.045 56.374 56.287 0.070 0.000 1.037 70 K CB 0.419 32.953 32.500 0.057 0.000 0.824 70 K HN 0.023 nan 8.250 nan 0.000 0.516 71 I N 1.009 121.630 120.570 0.084 0.000 2.396 71 I HA 0.007 3.986 4.170 -0.318 0.000 0.289 71 I C 1.197 177.386 176.117 0.121 0.000 1.056 71 I CA -0.059 61.295 61.300 0.090 0.000 1.365 71 I CB 1.413 39.447 38.000 0.056 0.000 1.407 71 I HN 0.191 nan 8.210 nan 0.000 0.509 72 G N 7.038 115.926 108.800 0.146 0.000 2.833 72 G HA2 0.315 4.084 3.960 -0.318 0.000 0.210 72 G HA3 0.315 4.084 3.960 -0.318 0.000 0.210 72 G C 0.424 175.344 174.900 0.033 0.000 1.139 72 G CA -0.062 45.143 45.100 0.175 0.000 0.771 72 G HN 0.464 nan 8.290 nan 0.000 0.535 73 M N 0.744 120.300 119.600 -0.074 0.000 2.378 73 M HA 0.400 4.689 4.480 -0.318 0.000 0.289 73 M C -1.706 174.512 176.300 -0.137 0.000 1.136 73 M CA -0.616 54.584 55.300 -0.168 0.000 0.917 73 M CB 3.273 35.661 32.600 -0.354 0.000 1.669 73 M HN -0.281 nan 8.290 nan 0.000 0.461 74 V N 4.306 124.131 119.914 -0.148 0.000 2.357 74 V HA 0.557 4.486 4.120 -0.318 0.000 0.284 74 V C -0.490 175.405 176.094 -0.331 0.000 1.018 74 V CA -0.405 61.797 62.300 -0.162 0.000 0.841 74 V CB 1.515 33.307 31.823 -0.052 0.000 0.991 74 V HN 0.693 nan 8.190 nan 0.000 0.437 75 I N 5.161 125.501 120.570 -0.383 0.000 2.418 75 I HA 0.478 4.457 4.170 -0.318 0.000 0.287 75 I C -0.604 175.304 176.117 -0.348 0.000 1.008 75 I CA -0.828 60.128 61.300 -0.573 0.000 1.104 75 I CB 2.178 39.814 38.000 -0.607 0.000 1.264 75 I HN 0.253 nan 8.210 nan 0.000 0.438 76 V N 5.537 125.271 119.914 -0.301 0.000 2.370 76 V HA 0.546 4.475 4.120 -0.318 0.000 0.283 76 V C 0.377 176.394 176.094 -0.128 0.000 1.023 76 V CA -0.515 61.685 62.300 -0.167 0.000 0.857 76 V CB 1.592 33.350 31.823 -0.108 0.000 0.985 76 V HN 0.823 nan 8.190 nan 0.000 0.443 77 A N 3.897 126.662 122.820 -0.093 0.000 2.260 77 A HA 0.744 4.873 4.320 -0.318 0.000 0.312 77 A C 0.028 177.616 177.584 0.005 0.000 1.321 77 A CA -0.249 51.754 52.037 -0.056 0.000 0.928 77 A CB 0.823 19.779 19.000 -0.073 0.000 1.158 77 A HN 0.774 nan 8.150 nan 0.000 0.542 78 T N 1.202 115.770 114.554 0.024 0.000 2.982 78 T HA 0.460 4.619 4.350 -0.318 0.000 0.321 78 T C -0.145 174.596 174.700 0.069 0.000 1.229 78 T CA -0.235 61.907 62.100 0.070 0.000 1.044 78 T CB 1.176 70.092 68.868 0.080 0.000 1.184 78 T HN 0.704 nan 8.240 nan 0.000 0.477 79 E N 1.748 122.005 120.200 0.095 0.000 2.558 79 E HA 0.371 4.530 4.350 -0.318 0.000 0.205 79 E C 0.102 176.789 176.600 0.144 0.000 1.006 79 E CA -0.464 55.980 56.400 0.073 0.000 0.961 79 E CB 0.579 30.254 29.700 -0.042 0.000 1.044 79 E HN 0.248 nan 8.360 nan 0.000 0.465 80 S N 0.939 116.742 115.700 0.171 0.000 2.751 80 S HA 0.412 4.691 4.470 -0.318 0.000 0.247 80 S C 0.297 174.984 174.600 0.144 0.000 1.103 80 S CA -0.376 57.939 58.200 0.192 0.000 1.090 80 S CB 0.716 64.062 63.200 0.243 0.000 0.928 80 S HN 0.477 nan 8.310 nan 0.000 0.502 81 A N 1.415 124.300 122.820 0.109 0.000 2.561 81 A HA 0.259 4.388 4.320 -0.318 0.000 0.234 81 A C 1.400 179.031 177.584 0.078 0.000 1.055 81 A CA 0.007 52.096 52.037 0.085 0.000 0.756 81 A CB 0.082 19.123 19.000 0.068 0.000 0.986 81 A HN 0.786 nan 8.150 nan 0.000 0.505 82 V N -0.763 119.195 119.914 0.073 0.000 3.650 82 V HA 0.261 4.190 4.120 -0.318 0.000 0.271 82 V C 0.275 176.397 176.094 0.047 0.000 1.281 82 V CA 1.101 63.436 62.300 0.058 0.000 1.120 82 V CB -0.771 31.091 31.823 0.066 0.000 0.856 82 V HN 0.745 nan 8.190 nan 0.000 0.443 83 D N -0.886 119.543 120.400 0.048 0.000 2.671 83 D HA 0.778 5.227 4.640 -0.318 0.000 0.232 83 D C 0.612 176.936 176.300 0.040 0.000 1.114 83 D CA 0.188 54.213 54.000 0.040 0.000 0.858 83 D CB 2.311 43.135 40.800 0.041 0.000 1.544 83 D HN 0.043 nan 8.370 nan 0.000 0.471 84 A N 1.455 124.296 122.820 0.034 0.000 2.218 84 A HA 0.455 4.584 4.320 -0.318 0.000 0.209 84 A C 1.156 178.760 177.584 0.032 0.000 1.168 84 A CA 1.222 53.279 52.037 0.034 0.000 0.804 84 A CB -0.017 19.002 19.000 0.031 0.000 0.834 84 A HN 0.486 nan 8.150 nan 0.000 0.482 85 A N -0.853 121.986 122.820 0.031 0.000 1.917 85 A HA 0.344 4.473 4.320 -0.318 0.000 0.200 85 A C 0.933 178.535 177.584 0.030 0.000 1.671 85 A CA 0.251 52.305 52.037 0.028 0.000 1.034 85 A CB 0.060 19.074 19.000 0.022 0.000 1.057 85 A HN 0.213 nan 8.150 nan 0.000 0.507 86 K N 1.703 122.121 120.400 0.031 0.000 2.285 86 K HA 0.554 4.683 4.320 -0.318 0.000 0.286 86 K C -0.205 176.415 176.600 0.032 0.000 1.072 86 K CA -0.102 56.203 56.287 0.030 0.000 0.913 86 K CB 0.699 33.218 32.500 0.030 0.000 1.067 86 K HN 0.345 nan 8.250 nan 0.000 0.479 87 A N 3.883 126.721 122.820 0.031 0.000 2.492 87 A HA 0.259 4.388 4.320 -0.318 0.000 0.254 87 A C 1.293 178.882 177.584 0.009 0.000 1.091 87 A CA 0.463 52.516 52.037 0.028 0.000 0.768 87 A CB 0.484 19.508 19.000 0.041 0.000 1.028 87 A HN 0.996 nan 8.150 nan 0.000 0.498 88 A N 3.079 125.902 122.820 0.005 0.000 2.009 88 A HA -0.044 4.085 4.320 -0.318 0.000 0.222 88 A C 2.372 179.926 177.584 -0.049 0.000 1.175 88 A CA 2.625 54.654 52.037 -0.015 0.000 0.651 88 A CB -0.922 18.073 19.000 -0.007 0.000 0.815 88 A HN 1.810 nan 8.150 nan 0.000 0.459 89 A N -0.709 122.077 122.820 -0.057 0.000 1.948 89 A HA -0.047 4.082 4.320 -0.318 0.000 0.220 89 A C 2.234 179.793 177.584 -0.042 0.000 1.177 89 A CA 1.938 53.928 52.037 -0.079 0.000 0.636 89 A CB -0.899 18.027 19.000 -0.123 0.000 0.815 89 A HN 0.467 nan 8.150 nan 0.000 0.449 90 V N -0.081 119.815 119.914 -0.031 0.000 2.295 90 V HA -0.335 3.594 4.120 -0.318 0.000 0.246 90 V C 2.659 178.760 176.094 0.011 0.000 1.049 90 V CA 2.343 64.634 62.300 -0.015 0.000 1.024 90 V CB -1.029 30.785 31.823 -0.016 0.000 0.648 90 V HN 0.703 nan 8.190 nan 0.000 0.447 91 Q N -0.273 119.511 119.800 -0.027 0.000 2.046 91 Q HA -0.131 4.018 4.340 -0.318 0.000 0.200 91 Q C 2.270 178.185 176.000 -0.143 0.000 0.975 91 Q CA 1.837 57.599 55.803 -0.069 0.000 0.836 91 Q CB -0.311 28.377 28.738 -0.083 0.000 0.896 91 Q HN 0.539 nan 8.270 nan 0.000 0.428 92 I N 0.691 121.161 120.570 -0.167 0.000 2.208 92 I HA -0.333 3.646 4.170 -0.318 0.000 0.245 92 I C 2.688 178.710 176.117 -0.157 0.000 1.097 92 I CA 1.376 62.537 61.300 -0.232 0.000 1.363 92 I CB -0.574 37.306 38.000 -0.201 0.000 1.051 92 I HN 0.414 nan 8.210 nan 0.000 0.413 93 H N 1.341 120.320 119.070 -0.152 0.000 2.387 93 H HA -0.226 4.139 4.556 -0.319 0.000 0.299 93 H C 1.957 177.225 175.328 -0.099 0.000 1.099 93 H CA 2.294 58.274 56.048 -0.114 0.000 1.315 93 H CB -0.162 29.547 29.762 -0.089 0.000 1.380 93 H HN 0.482 nan 8.280 nan 0.000 0.513 94 N N -0.067 118.611 118.700 -0.038 0.000 2.080 94 N HA -0.106 4.443 4.740 -0.318 0.000 0.189 94 N C 2.318 177.764 175.510 -0.108 0.000 1.036 94 N CA 0.856 53.870 53.050 -0.060 0.000 0.846 94 N CB 0.028 38.516 38.487 0.002 0.000 1.015 94 N HN 0.236 nan 8.380 nan 0.000 0.423 95 L N 0.679 121.814 121.223 -0.147 0.000 2.127 95 L HA -0.147 4.002 4.340 -0.318 0.000 0.211 95 L C 1.857 178.687 176.870 -0.067 0.000 1.089 95 L CA 0.886 55.649 54.840 -0.129 0.000 0.757 95 L CB -0.235 41.551 42.059 -0.455 0.000 0.899 95 L HN 0.327 nan 8.230 nan 0.000 0.434 96 L N -0.606 120.518 121.223 -0.166 0.000 2.592 96 L HA 0.190 4.339 4.340 -0.318 0.000 0.227 96 L C 1.328 178.127 176.870 -0.119 0.000 1.127 96 L CA 0.247 55.020 54.840 -0.112 0.000 0.884 96 L CB -0.448 41.518 42.059 -0.154 0.000 1.065 96 L HN 0.386 nan 8.230 nan 0.000 0.457 97 G N 1.687 110.388 108.800 -0.165 0.000 2.323 97 G HA2 -0.295 3.474 3.960 -0.318 0.000 0.292 97 G HA3 -0.295 3.474 3.960 -0.318 0.000 0.292 97 G C 0.186 174.952 174.900 -0.223 0.000 1.040 97 G CA 0.035 45.031 45.100 -0.172 0.000 0.942 97 G HN 0.322 nan 8.290 nan 0.000 0.506 98 I N 0.202 120.529 120.570 -0.405 0.000 2.575 98 I HA 0.223 4.202 4.170 -0.318 0.000 0.285 98 I C 1.233 177.190 176.117 -0.266 0.000 1.085 98 I CA -0.749 60.346 61.300 -0.342 0.000 1.403 98 I CB 0.818 38.596 38.000 -0.370 0.000 1.409 98 I HN 0.548 nan 8.210 nan 0.000 0.557 99 Q N 8.476 128.246 119.800 -0.050 0.000 2.326 99 Q HA -0.012 4.137 4.340 -0.318 0.000 0.314 99 Q C -2.154 173.905 176.000 0.098 0.000 1.091 99 Q CA -0.472 55.340 55.803 0.015 0.000 0.974 99 Q CB -0.256 28.521 28.738 0.065 0.000 1.220 99 Q HN 0.336 nan 8.270 nan 0.000 0.398 100 P HA -0.104 nan 4.420 nan 0.000 0.223 100 P C -0.534 176.622 177.300 -0.239 0.000 1.151 100 P CA 1.020 64.007 63.100 -0.189 0.000 0.787 100 P CB 0.136 31.514 31.700 -0.536 0.000 0.788 101 F N 0.964 120.960 119.950 0.077 0.000 2.573 101 F HA 0.477 4.813 4.527 -0.318 0.000 0.349 101 F C 0.825 176.655 175.800 0.049 0.000 1.213 101 F CA -0.652 57.376 58.000 0.047 0.000 1.300 101 F CB 0.043 39.072 39.000 0.048 0.000 1.661 101 F HN -0.071 nan 8.300 nan 0.000 0.616 102 A N 2.003 124.902 122.820 0.131 0.000 2.547 102 A HA 0.668 4.797 4.320 -0.318 0.000 0.297 102 A C -0.639 176.925 177.584 -0.033 0.000 1.056 102 A CA -1.035 51.036 52.037 0.058 0.000 0.688 102 A CB 1.331 20.368 19.000 0.062 0.000 1.282 102 A HN 0.479 nan 8.150 nan 0.000 0.400 103 R N 0.213 120.712 120.500 -0.002 0.000 2.438 103 R HA 0.470 4.619 4.340 -0.318 0.000 0.287 103 R C -1.030 175.272 176.300 0.003 0.000 1.077 103 R CA -0.010 56.113 56.100 0.038 0.000 1.034 103 R CB 0.687 31.053 30.300 0.110 0.000 0.993 103 R HN 0.627 nan 8.270 nan 0.000 0.459 104 C N 4.332 123.645 119.300 0.023 0.000 2.396 104 C HA 0.707 4.976 4.460 -0.318 0.000 0.321 104 C C -0.749 174.327 174.990 0.144 0.000 1.233 104 C CA -0.781 58.218 59.018 -0.032 0.000 1.440 104 C CB -0.150 27.513 27.740 -0.128 0.000 2.110 104 C HN 0.889 nan 8.230 nan 0.000 0.473 105 F N 0.046 119.946 119.950 -0.084 0.000 2.741 105 F HA 0.646 4.984 4.527 -0.316 0.000 0.311 105 F C -0.883 174.885 175.800 -0.053 0.000 1.149 105 F CA -1.015 56.947 58.000 -0.063 0.000 0.930 105 F CB 0.738 39.701 39.000 -0.062 0.000 1.312 105 F HN 0.395 nan 8.300 nan 0.000 0.450 106 E N 1.846 122.119 120.200 0.121 0.000 2.283 106 E HA 0.584 4.743 4.350 -0.318 0.000 0.271 106 E C -1.050 175.633 176.600 0.139 0.000 1.031 106 E CA -0.938 55.484 56.400 0.037 0.000 0.868 106 E CB 1.785 31.512 29.700 0.046 0.000 1.094 106 E HN 0.583 nan 8.360 nan 0.000 0.401 107 M N 2.040 121.664 119.600 0.040 0.000 2.535 107 M HA 0.377 4.666 4.480 -0.318 0.000 0.314 107 M C -0.578 175.740 176.300 0.030 0.000 1.153 107 M CA -0.695 54.646 55.300 0.069 0.000 0.924 107 M CB 2.007 34.627 32.600 0.033 0.000 1.710 107 M HN 0.142 nan 8.290 nan 0.000 0.451 108 K N 2.600 123.026 120.400 0.043 0.000 2.535 108 K HA 0.420 4.549 4.320 -0.318 0.000 0.250 108 K C -1.728 174.899 176.600 0.045 0.000 0.948 108 K CA -0.190 56.118 56.287 0.036 0.000 0.796 108 K CB 1.808 34.335 32.500 0.045 0.000 1.216 108 K HN 0.639 nan 8.250 nan 0.000 0.432 109 E N 3.737 123.959 120.200 0.037 0.000 2.705 109 E HA 0.281 4.439 4.350 -0.318 0.000 0.373 109 E C -0.875 175.717 176.600 -0.014 0.000 1.071 109 E CA 0.464 56.892 56.400 0.046 0.000 0.790 109 E CB -0.136 29.663 29.700 0.164 0.000 1.478 109 E HN 0.972 nan 8.360 nan 0.000 0.391 113 A N 1.380 124.071 122.820 -0.216 0.000 2.070 113 A HA 0.156 4.285 4.320 -0.318 0.000 0.220 113 A C 2.075 179.501 177.584 -0.264 0.000 1.159 113 A CA 1.844 53.714 52.037 -0.279 0.000 0.656 113 A CB -1.042 17.897 19.000 -0.102 0.000 0.800 113 A HN 0.805 nan 8.150 nan 0.000 0.453 114 A N -1.248 121.479 122.820 -0.155 0.000 2.168 114 A HA 0.067 4.196 4.320 -0.318 0.000 0.215 114 A C 2.122 179.572 177.584 -0.224 0.000 1.152 114 A CA 1.771 53.710 52.037 -0.163 0.000 0.716 114 A CB -0.732 18.212 19.000 -0.094 0.000 0.794 114 A HN 0.402 nan 8.150 nan 0.000 0.465 115 T N 0.877 115.307 114.554 -0.207 0.000 2.698 115 T HA -0.055 4.104 4.350 -0.318 0.000 0.260 115 T C -0.244 174.276 174.700 -0.301 0.000 1.044 115 T CA 1.567 63.554 62.100 -0.189 0.000 1.149 115 T CB -0.931 67.849 68.868 -0.147 0.000 0.864 115 T HN 0.422 nan 8.240 nan 0.000 0.419 116 P HA -0.070 nan 4.420 nan 0.000 0.215 116 P C 1.487 178.690 177.300 -0.162 0.000 1.153 116 P CA 1.503 64.465 63.100 -0.230 0.000 0.853 116 P CB -0.261 31.314 31.700 -0.208 0.000 0.788 117 A N 1.252 123.959 122.820 -0.189 0.000 1.884 117 A HA -0.235 3.894 4.320 -0.318 0.000 0.219 117 A C 2.373 179.844 177.584 -0.188 0.000 1.197 117 A CA 2.700 54.628 52.037 -0.181 0.000 0.637 117 A CB -1.813 17.053 19.000 -0.223 0.000 0.827 117 A HN 0.380 nan 8.150 nan 0.000 0.450 118 I N -3.570 116.857 120.570 -0.239 0.000 2.353 118 I HA -0.197 3.782 4.170 -0.318 0.000 0.248 118 I C 2.143 178.146 176.117 -0.190 0.000 1.119 118 I CA 1.637 62.798 61.300 -0.231 0.000 1.417 118 I CB -0.638 37.181 38.000 -0.301 0.000 1.078 118 I HN 0.210 nan 8.210 nan 0.000 0.421 119 Q N 1.653 121.328 119.800 -0.208 0.000 2.084 119 Q HA -0.049 4.100 4.340 -0.318 0.000 0.202 119 Q C 2.419 178.370 176.000 -0.082 0.000 0.978 119 Q CA 1.562 57.262 55.803 -0.172 0.000 0.844 119 Q CB -0.317 28.317 28.738 -0.173 0.000 0.898 119 Q HN 0.623 nan 8.270 nan 0.000 0.426 120 L N -0.041 121.149 121.223 -0.055 0.000 2.313 120 L HA -0.018 4.130 4.340 -0.318 0.000 0.214 120 L C 2.361 179.255 176.870 0.041 0.000 1.119 120 L CA 0.504 55.349 54.840 0.008 0.000 0.809 120 L CB -0.484 41.591 42.059 0.028 0.000 0.933 120 L HN 0.085 nan 8.230 nan 0.000 0.449 121 A N 0.725 123.538 122.820 -0.012 0.000 1.873 121 A HA -0.232 3.897 4.320 -0.318 0.000 0.215 121 A C 2.422 180.057 177.584 0.086 0.000 1.186 121 A CA 1.845 53.896 52.037 0.024 0.000 0.616 121 A CB -0.407 18.562 19.000 -0.052 0.000 0.823 121 A HN 0.333 nan 8.150 nan 0.000 0.442 122 K N -0.225 120.175 120.400 -0.000 0.000 2.009 122 K HA -0.255 3.874 4.320 -0.318 0.000 0.210 122 K C 1.276 177.882 176.600 0.009 0.000 1.049 122 K CA 2.049 58.320 56.287 -0.026 0.000 0.929 122 K CB -0.487 31.968 32.500 -0.076 0.000 0.714 122 K HN 0.358 nan 8.250 nan 0.000 0.440 123 D N -0.097 120.320 120.400 0.028 0.000 2.149 123 D HA -0.189 4.260 4.640 -0.318 0.000 0.198 123 D C 1.778 178.131 176.300 0.088 0.000 0.990 123 D CA 1.030 55.056 54.000 0.043 0.000 0.839 123 D CB -0.508 40.318 40.800 0.042 0.000 0.948 123 D HN 0.385 nan 8.370 nan 0.000 0.460 124 Y N 1.144 121.447 120.300 0.005 0.000 2.224 124 Y HA -0.115 4.244 4.550 -0.318 0.000 0.289 124 Y C 1.920 177.844 175.900 0.040 0.000 1.146 124 Y CA 1.265 59.380 58.100 0.024 0.000 1.182 124 Y CB -0.242 38.237 38.460 0.032 0.000 0.983 124 Y HN -0.078 nan 8.280 nan 0.000 0.524 125 L N -0.248 121.005 121.223 0.050 0.000 2.558 125 L HA 0.090 4.239 4.340 -0.318 0.000 0.225 125 L C 2.561 179.493 176.870 0.102 0.000 1.128 125 L CA 0.452 55.300 54.840 0.014 0.000 0.868 125 L CB -0.607 41.530 42.059 0.130 0.000 1.006 125 L HN 0.316 nan 8.230 nan 0.000 0.454 126 A N 0.428 123.268 122.820 0.032 0.000 1.917 126 A HA -0.253 3.876 4.320 -0.318 0.000 0.219 126 A C 2.156 179.793 177.584 0.089 0.000 1.182 126 A CA 2.528 54.604 52.037 0.064 0.000 0.633 126 A CB -0.699 18.310 19.000 0.015 0.000 0.819 126 A HN 0.463 nan 8.150 nan 0.000 0.448 127 T N -4.420 110.128 114.554 -0.010 0.000 3.174 127 T HA 0.442 4.601 4.350 -0.318 0.000 0.269 127 T C 0.394 175.030 174.700 -0.107 0.000 1.017 127 T CA -0.379 61.689 62.100 -0.053 0.000 0.899 127 T CB -0.035 68.793 68.868 -0.066 0.000 1.077 127 T HN 0.334 nan 8.240 nan 0.000 0.552 128 R N 1.712 122.140 120.500 -0.120 0.000 2.653 128 R HA 0.291 4.440 4.340 -0.318 0.000 0.269 128 R C -2.181 174.050 176.300 -0.114 0.000 1.603 128 R CA -1.513 54.492 56.100 -0.157 0.000 1.671 128 R CB 1.201 31.316 30.300 -0.309 0.000 1.300 128 R HN 0.163 nan 8.270 nan 0.000 0.668 129 P HA -0.099 nan 4.420 nan 0.000 0.223 129 P C 0.039 177.175 177.300 -0.273 0.000 1.151 129 P CA 1.084 63.836 63.100 -0.579 0.000 0.787 129 P CB 0.300 31.606 31.700 -0.657 0.000 0.788 130 N N -0.789 117.834 118.700 -0.129 0.000 2.336 130 N HA 0.050 4.599 4.740 -0.318 0.000 0.189 130 N C 0.667 176.185 175.510 0.013 0.000 1.113 130 N CA -0.083 52.937 53.050 -0.049 0.000 0.858 130 N CB 0.235 38.697 38.487 -0.041 0.000 0.970 130 N HN 0.293 nan 8.380 nan 0.000 0.471 131 E N 0.533 120.758 120.200 0.040 0.000 2.292 131 E HA 0.382 4.541 4.350 -0.318 0.000 0.258 131 E C -0.463 176.218 176.600 0.134 0.000 1.115 131 E CA -0.284 56.176 56.400 0.099 0.000 0.929 131 E CB 1.021 30.799 29.700 0.129 0.000 1.161 131 E HN -0.033 nan 8.360 nan 0.000 0.453 132 K N -0.237 120.252 120.400 0.148 0.000 2.509 132 K HA 0.569 4.698 4.320 -0.318 0.000 0.266 132 K C -1.614 175.058 176.600 0.120 0.000 0.987 132 K CA -0.765 55.596 56.287 0.123 0.000 0.868 132 K CB 2.321 34.867 32.500 0.078 0.000 1.421 132 K HN 0.121 nan 8.250 nan 0.000 0.444 133 V N 1.859 121.811 119.914 0.063 0.000 2.656 133 V HA 0.408 4.337 4.120 -0.318 0.000 0.307 133 V C -1.422 174.647 176.094 -0.041 0.000 1.051 133 V CA -0.944 61.351 62.300 -0.008 0.000 0.893 133 V CB 1.772 33.571 31.823 -0.041 0.000 0.999 133 V HN 0.508 nan 8.190 nan 0.000 0.426 134 L N 5.761 126.942 121.223 -0.069 0.000 2.296 134 L HA 0.752 4.901 4.340 -0.318 0.000 0.286 134 L C -0.636 176.155 176.870 -0.132 0.000 1.023 134 L CA -0.065 54.728 54.840 -0.079 0.000 0.812 134 L CB 1.611 43.634 42.059 -0.060 0.000 1.223 134 L HN 0.451 nan 8.230 nan 0.000 0.421 135 V N 6.913 126.744 119.914 -0.138 0.000 2.487 135 V HA 0.513 4.442 4.120 -0.318 0.000 0.298 135 V C -0.083 175.928 176.094 -0.138 0.000 1.028 135 V CA -0.434 61.760 62.300 -0.177 0.000 0.860 135 V CB 1.735 33.430 31.823 -0.212 0.000 0.991 135 V HN 0.613 nan 8.190 nan 0.000 0.427 136 I N 4.001 124.494 120.570 -0.127 0.000 2.406 136 I HA 0.684 4.663 4.170 -0.318 0.000 0.290 136 I C 0.359 176.442 176.117 -0.055 0.000 0.999 136 I CA -0.618 60.636 61.300 -0.076 0.000 1.124 136 I CB 1.932 39.892 38.000 -0.066 0.000 1.289 136 I HN 0.653 nan 8.210 nan 0.000 0.441 137 A N 4.312 127.126 122.820 -0.010 0.000 2.289 137 A HA 0.712 4.841 4.320 -0.318 0.000 0.298 137 A C -0.181 177.451 177.584 0.079 0.000 1.208 137 A CA -0.261 51.800 52.037 0.040 0.000 0.845 137 A CB 0.938 19.994 19.000 0.092 0.000 1.125 137 A HN 0.648 nan 8.150 nan 0.000 0.517 138 T N 1.824 116.431 114.554 0.088 0.000 3.032 138 T HA 0.586 4.745 4.350 -0.318 0.000 0.312 138 T C -1.916 172.872 174.700 0.146 0.000 1.078 138 T CA -0.464 61.704 62.100 0.114 0.000 1.028 138 T CB 1.038 69.959 68.868 0.088 0.000 1.091 138 T HN 0.738 nan 8.240 nan 0.000 0.457 139 D N 1.294 121.790 120.400 0.160 0.000 2.683 139 D HA 0.396 4.845 4.640 -0.318 0.000 0.246 139 D C -1.218 175.147 176.300 0.108 0.000 1.238 139 D CA -0.214 53.905 54.000 0.199 0.000 0.759 139 D CB 2.350 43.334 40.800 0.306 0.000 1.349 139 D HN 0.652 nan 8.370 nan 0.000 0.426 140 T N -1.350 113.258 114.554 0.090 0.000 2.985 140 T HA 0.694 4.853 4.350 -0.318 0.000 0.315 140 T C -0.314 174.304 174.700 -0.136 0.000 1.001 140 T CA -0.821 61.251 62.100 -0.047 0.000 1.016 140 T CB 1.281 70.120 68.868 -0.048 0.000 0.993 140 T HN 0.406 nan 8.240 nan 0.000 0.454 141 A N 4.269 126.837 122.820 -0.419 0.000 2.437 141 A HA 0.588 4.717 4.320 -0.318 0.000 0.303 141 A C 0.373 177.921 177.584 -0.060 0.000 1.324 141 A CA -0.651 51.038 52.037 -0.580 0.000 0.983 141 A CB -0.125 18.373 19.000 -0.838 0.000 1.142 141 A HN 0.811 nan 8.150 nan 0.000 0.541 142 R N 2.338 122.889 120.500 0.086 0.000 2.388 142 R HA 0.374 4.523 4.340 -0.318 0.000 0.314 142 R C -0.938 175.592 176.300 0.384 0.000 0.959 142 R CA -0.274 56.038 56.100 0.355 0.000 0.851 142 R CB 0.966 31.463 30.300 0.328 0.000 1.168 142 R HN 0.790 nan 8.270 nan 0.000 0.472 143 Y N 1.043 121.536 120.300 0.321 0.000 2.497 143 Y HA 0.282 4.639 4.550 -0.322 0.000 0.265 143 Y C 1.289 177.081 175.900 -0.180 0.000 1.111 143 Y CA 0.651 58.856 58.100 0.175 0.000 1.288 143 Y CB 1.271 39.797 38.460 0.109 0.000 1.082 143 Y HN 0.860 nan 8.280 nan 0.000 0.536 144 G N 0.365 109.015 108.800 -0.250 0.000 2.576 144 G HA2 -0.118 3.651 3.960 -0.318 0.000 0.686 144 G HA3 -0.118 3.651 3.960 -0.318 0.000 0.686 144 G C -1.176 173.397 174.900 -0.544 0.000 1.242 144 G CA -1.112 43.543 45.100 -0.741 0.000 0.819 144 G HN 0.044 nan 8.290 nan 0.000 0.655 145 L N 1.285 122.175 121.223 -0.555 0.000 2.380 145 L HA 0.301 4.450 4.340 -0.318 0.000 0.273 145 L C 1.333 178.091 176.870 -0.188 0.000 1.138 145 L CA 0.394 54.999 54.840 -0.392 0.000 0.832 145 L CB 0.505 42.371 42.059 -0.322 0.000 1.124 145 L HN 0.923 nan 8.230 nan 0.000 0.454 146 N N -0.619 118.012 118.700 -0.115 0.000 2.800 146 N HA -0.203 4.346 4.740 -0.318 0.000 0.250 146 N C -0.091 175.381 175.510 -0.064 0.000 1.078 146 N CA 0.925 53.937 53.050 -0.063 0.000 0.804 146 N CB -0.918 37.543 38.487 -0.044 0.000 1.135 146 N HN 0.790 nan 8.380 nan 0.000 0.565 147 S N -1.501 114.145 115.700 -0.090 0.000 2.645 147 S HA 0.599 4.878 4.470 -0.318 0.000 0.266 147 S C 1.738 176.289 174.600 -0.081 0.000 1.258 147 S CA -0.334 57.827 58.200 -0.066 0.000 0.990 147 S CB 1.626 64.799 63.200 -0.046 0.000 0.967 147 S HN 0.245 nan 8.310 nan 0.000 0.556 148 G N 0.614 109.369 108.800 -0.075 0.000 2.421 148 G HA2 -0.008 3.761 3.960 -0.318 0.000 0.216 148 G HA3 -0.008 3.761 3.960 -0.318 0.000 0.216 148 G C 1.344 176.101 174.900 -0.239 0.000 1.171 148 G CA 0.559 45.592 45.100 -0.112 0.000 0.775 148 G HN 1.012 nan 8.290 nan 0.000 0.543 149 G N 0.263 108.847 108.800 -0.359 0.000 2.448 149 G HA2 -0.152 3.617 3.960 -0.318 0.000 0.219 149 G HA3 -0.152 3.617 3.960 -0.318 0.000 0.219 149 G C 1.415 175.948 174.900 -0.611 0.000 1.127 149 G CA 1.111 45.659 45.100 -0.918 0.000 0.766 149 G HN 0.549 nan 8.290 nan 0.000 0.552 150 E N 1.000 121.042 120.200 -0.263 0.000 2.108 150 E HA -0.206 3.953 4.350 -0.318 0.000 0.203 150 E C -0.129 176.320 176.600 -0.251 0.000 1.022 150 E CA 1.638 57.947 56.400 -0.151 0.000 0.823 150 E CB -0.488 29.135 29.700 -0.129 0.000 0.744 150 E HN 0.351 nan 8.360 nan 0.000 0.456 151 P HA -0.136 nan 4.420 nan 0.000 0.221 151 P C 1.048 178.069 177.300 -0.465 0.000 1.145 151 P CA 2.137 64.825 63.100 -0.686 0.000 0.795 151 P CB -0.142 30.941 31.700 -1.028 0.000 0.775 152 T N -5.891 108.472 114.554 -0.318 0.000 3.086 152 T HA 0.145 4.304 4.350 -0.318 0.000 0.250 152 T C 0.741 175.462 174.700 0.035 0.000 1.074 152 T CA -0.271 61.744 62.100 -0.141 0.000 0.988 152 T CB -0.576 68.252 68.868 -0.066 0.000 0.988 152 T HN 0.087 nan 8.240 nan 0.000 0.530 153 Q N 0.680 120.520 119.800 0.066 0.000 2.428 153 Q HA 0.506 4.655 4.340 -0.318 0.000 0.276 153 Q C 0.403 176.421 176.000 0.029 0.000 1.059 153 Q CA 0.543 56.433 55.803 0.145 0.000 0.923 153 Q CB 0.511 29.360 28.738 0.184 0.000 1.283 153 Q HN 0.665 nan 8.270 nan 0.000 0.447 154 G N -0.802 107.991 108.800 -0.012 0.000 2.548 154 G HA2 0.675 4.444 3.960 -0.318 0.000 0.301 154 G HA3 0.675 4.444 3.960 -0.318 0.000 0.301 154 G C -2.071 172.787 174.900 -0.070 0.000 1.349 154 G CA -0.144 44.936 45.100 -0.033 0.000 0.792 154 G HN 0.705 nan 8.290 nan 0.000 0.481 155 A N -1.441 121.353 122.820 -0.043 0.000 2.547 155 A HA 1.089 5.217 4.320 -0.318 0.000 0.297 155 A C 0.012 177.610 177.584 0.024 0.000 1.056 155 A CA 0.471 52.489 52.037 -0.032 0.000 0.688 155 A CB 1.607 20.573 19.000 -0.057 0.000 1.282 155 A HN 2.578 nan 8.150 nan 0.000 0.400 156 G N -0.820 108.023 108.800 0.072 0.000 2.325 156 G HA2 0.837 4.606 3.960 -0.318 0.000 0.295 156 G HA3 0.837 4.606 3.960 -0.318 0.000 0.295 156 G C -0.950 174.057 174.900 0.177 0.000 1.274 156 G CA 0.350 45.533 45.100 0.138 0.000 0.857 156 G HN 2.358 nan 8.290 nan 0.000 0.499 157 A N -1.448 121.511 122.820 0.232 0.000 2.594 157 A HA 0.841 4.970 4.320 -0.318 0.000 0.295 157 A C -1.376 176.347 177.584 0.232 0.000 1.071 157 A CA -0.429 51.730 52.037 0.203 0.000 0.685 157 A CB 1.820 20.925 19.000 0.176 0.000 1.285 157 A HN 1.714 nan 8.150 nan 0.000 0.405 158 V N 0.500 120.520 119.914 0.176 0.000 2.680 158 V HA 0.818 4.747 4.120 -0.318 0.000 0.309 158 V C 0.288 176.438 176.094 0.093 0.000 1.052 158 V CA -0.151 62.255 62.300 0.176 0.000 0.908 158 V CB 1.702 33.630 31.823 0.175 0.000 1.001 158 V HN 1.566 nan 8.190 nan 0.000 0.431 159 A N 5.621 128.495 122.820 0.089 0.000 2.343 159 A HA 0.950 5.079 4.320 -0.318 0.000 0.316 159 A C -0.747 176.850 177.584 0.021 0.000 1.104 159 A CA -0.581 51.474 52.037 0.031 0.000 0.768 159 A CB 1.238 20.260 19.000 0.038 0.000 1.213 159 A HN 0.810 nan 8.150 nan 0.000 0.456 160 M N 2.413 121.992 119.600 -0.035 0.000 2.326 160 M HA 0.394 4.683 4.480 -0.318 0.000 0.306 160 M C -1.129 175.146 176.300 -0.041 0.000 1.054 160 M CA -0.672 54.604 55.300 -0.040 0.000 0.922 160 M CB 2.296 34.828 32.600 -0.114 0.000 1.632 160 M HN 0.329 nan 8.290 nan 0.000 0.436 161 V N 4.928 124.835 119.914 -0.011 0.000 2.350 161 V HA 0.395 4.324 4.120 -0.318 0.000 0.276 161 V C -0.136 175.952 176.094 -0.011 0.000 1.028 161 V CA -0.590 61.706 62.300 -0.007 0.000 0.860 161 V CB 1.112 32.944 31.823 0.016 0.000 0.990 161 V HN 0.605 nan 8.190 nan 0.000 0.453 162 I N 4.570 125.128 120.570 -0.020 0.000 2.353 162 I HA 0.816 4.795 4.170 -0.318 0.000 0.293 162 I C 0.383 176.506 176.117 0.009 0.000 0.992 162 I CA 0.014 61.300 61.300 -0.023 0.000 1.268 162 I CB 1.231 39.203 38.000 -0.046 0.000 1.387 162 I HN 0.735 nan 8.210 nan 0.000 0.478 163 A N 5.855 128.676 122.820 0.002 0.000 2.599 163 A HA 0.502 4.631 4.320 -0.318 0.000 0.290 163 A C -0.720 176.868 177.584 0.007 0.000 1.101 163 A CA -0.666 51.397 52.037 0.042 0.000 0.674 163 A CB 1.184 20.219 19.000 0.058 0.000 1.277 163 A HN 0.707 nan 8.150 nan 0.000 0.419 164 H N 0.895 119.969 119.070 0.007 0.000 2.690 164 H HA 0.087 4.452 4.556 -0.318 0.000 0.365 164 H C 0.446 175.773 175.328 -0.002 0.000 1.142 164 H CA 1.695 57.744 56.048 0.002 0.000 1.417 164 H CB 0.599 30.360 29.762 -0.001 0.000 1.446 164 H HN 0.882 nan 8.280 nan 0.000 0.599 165 N N 1.588 120.346 118.700 0.096 0.000 2.686 165 N HA -0.130 4.419 4.740 -0.318 0.000 0.261 165 N C -2.567 172.954 175.510 0.019 0.000 1.001 165 N CA -0.117 52.964 53.050 0.053 0.000 0.764 165 N CB -0.541 37.983 38.487 0.061 0.000 0.898 165 N HN 0.392 nan 8.380 nan 0.000 0.544 166 P HA 0.125 nan 4.420 nan 0.000 0.275 166 P C 0.036 177.308 177.300 -0.047 0.000 1.228 166 P CA -0.274 62.813 63.100 -0.021 0.000 0.786 166 P CB 0.940 32.628 31.700 -0.020 0.000 0.927 167 S N 1.224 116.859 115.700 -0.109 0.000 2.527 167 S HA 0.063 4.342 4.470 -0.318 0.000 0.222 167 S C 1.625 176.189 174.600 -0.060 0.000 0.985 167 S CA 0.449 58.524 58.200 -0.210 0.000 0.921 167 S CB -0.421 62.365 63.200 -0.690 0.000 0.772 167 S HN 0.446 nan 8.310 nan 0.000 0.529 168 I N -0.438 120.139 120.570 0.011 0.000 3.518 168 I HA 0.330 4.309 4.170 -0.318 0.000 0.260 168 I C -0.239 175.884 176.117 0.009 0.000 1.148 168 I CA 0.424 61.778 61.300 0.089 0.000 1.440 168 I CB 0.385 38.462 38.000 0.128 0.000 1.485 168 I HN 0.053 nan 8.210 nan 0.000 0.456 169 L N 0.927 122.152 121.223 0.002 0.000 2.505 169 L HA 0.589 4.738 4.340 -0.318 0.000 0.266 169 L C -0.698 176.174 176.870 0.003 0.000 0.954 169 L CA -0.682 54.153 54.840 -0.009 0.000 0.852 169 L CB 2.148 44.211 42.059 0.007 0.000 1.282 169 L HN 0.047 nan 8.230 nan 0.000 0.403 170 A N 4.346 127.169 122.820 0.005 0.000 2.409 170 A HA 0.591 4.720 4.320 -0.318 0.000 0.262 170 A C -0.354 177.244 177.584 0.022 0.000 1.113 170 A CA -0.239 51.800 52.037 0.003 0.000 0.790 170 A CB 0.103 19.108 19.000 0.008 0.000 1.046 170 A HN 0.660 nan 8.150 nan 0.000 0.496 171 L N 3.839 125.061 121.223 -0.001 0.000 2.313 171 L HA 0.167 4.316 4.340 -0.318 0.000 0.282 171 L C 0.254 177.140 176.870 0.027 0.000 1.092 171 L CA -0.651 54.194 54.840 0.009 0.000 0.831 171 L CB 0.277 42.287 42.059 -0.083 0.000 1.159 171 L HN 0.678 nan 8.230 nan 0.000 0.442 172 N N 2.366 121.121 118.700 0.092 0.000 2.354 172 N HA 0.074 4.623 4.740 -0.318 0.000 0.246 172 N C -0.016 175.551 175.510 0.095 0.000 1.285 172 N CA -0.284 52.828 53.050 0.103 0.000 0.925 172 N CB 0.744 39.327 38.487 0.160 0.000 1.174 172 N HN 0.451 nan 8.380 nan 0.000 0.478 173 E N 1.214 121.466 120.200 0.086 0.000 2.201 173 E HA 0.075 4.234 4.350 -0.318 0.000 0.272 173 E C -0.371 176.294 176.600 0.109 0.000 1.228 173 E CA -0.062 56.381 56.400 0.073 0.000 1.305 173 E CB -0.320 29.405 29.700 0.042 0.000 1.381 173 E HN 0.537 nan 8.360 nan 0.000 0.475 174 D N -1.337 119.174 120.400 0.185 0.000 2.523 174 D HA 0.060 4.509 4.640 -0.318 0.000 0.269 174 D C 0.448 176.982 176.300 0.390 0.000 1.374 174 D CA -0.447 53.705 54.000 0.253 0.000 0.820 174 D CB -0.293 40.694 40.800 0.312 0.000 1.211 174 D HN 0.105 nan 8.370 nan 0.000 0.502 175 A N 0.645 123.655 122.820 0.317 0.000 2.567 175 A HA 0.439 4.568 4.320 -0.318 0.000 0.240 175 A C 0.100 177.874 177.584 0.318 0.000 1.053 175 A CA 0.037 52.281 52.037 0.344 0.000 0.755 175 A CB 0.451 19.572 19.000 0.201 0.000 0.978 175 A HN 0.496 nan 8.150 nan 0.000 0.507 176 V N 2.327 122.473 119.914 0.387 0.000 2.709 176 V HA 0.792 4.721 4.120 -0.318 0.000 0.308 176 V C 0.072 176.350 176.094 0.307 0.000 1.062 176 V CA 0.067 62.545 62.300 0.298 0.000 0.901 176 V CB 1.718 33.703 31.823 0.271 0.000 1.003 176 V HN 1.619 nan 8.190 nan 0.000 0.425 177 A N 5.464 128.428 122.820 0.241 0.000 2.340 177 A HA 0.866 4.995 4.320 -0.318 0.000 0.331 177 A C -1.672 176.048 177.584 0.228 0.000 1.140 177 A CA -0.581 51.587 52.037 0.219 0.000 0.801 177 A CB 1.421 20.517 19.000 0.160 0.000 1.234 177 A HN 1.431 nan 8.150 nan 0.000 0.469 178 Y N 0.766 121.093 120.300 0.044 0.000 2.354 178 Y HA 0.559 4.917 4.550 -0.319 0.000 0.330 178 Y C -0.529 175.347 175.900 -0.040 0.000 1.011 178 Y CA -0.204 57.910 58.100 0.024 0.000 1.099 178 Y CB 2.034 40.535 38.460 0.069 0.000 1.179 178 Y HN 0.584 nan 8.280 nan 0.000 0.442 179 T N 6.549 120.733 114.554 -0.615 0.000 2.779 179 T HA 0.342 4.501 4.350 -0.318 0.000 0.280 179 T C -1.248 173.041 174.700 -0.684 0.000 0.987 179 T CA -0.651 61.134 62.100 -0.526 0.000 0.966 179 T CB 0.943 69.620 68.868 -0.318 0.000 0.933 179 T HN 0.664 nan 8.240 nan 0.000 0.442 180 E N 2.918 122.845 120.200 -0.456 0.000 2.260 180 E HA 0.154 4.313 4.350 -0.318 0.000 0.266 180 E C -1.446 175.057 176.600 -0.161 0.000 0.887 180 E CA -0.679 55.551 56.400 -0.283 0.000 0.777 180 E CB 1.257 30.869 29.700 -0.148 0.000 1.205 180 E HN 0.416 nan 8.360 nan 0.000 0.414 181 D N 3.612 123.923 120.400 -0.147 0.000 2.382 181 D HA 0.197 4.646 4.640 -0.318 0.000 0.259 181 D C -1.213 175.001 176.300 -0.144 0.000 1.224 181 D CA 0.399 54.297 54.000 -0.169 0.000 0.894 181 D CB 1.115 41.846 40.800 -0.115 0.000 1.127 181 D HN 0.216 nan 8.370 nan 0.000 0.487 182 V N 5.142 124.901 119.914 -0.259 0.000 3.120 182 V HA 0.304 4.233 4.120 -0.318 0.000 0.303 182 V C -1.539 174.297 176.094 -0.431 0.000 1.238 182 V CA -0.726 61.476 62.300 -0.163 0.000 1.008 182 V CB 2.004 33.834 31.823 0.013 0.000 1.064 182 V HN 0.439 nan 8.190 nan 0.000 0.434 183 Y N 4.144 124.389 120.300 -0.092 0.000 2.783 183 Y HA 0.281 4.641 4.550 -0.318 0.000 0.382 183 Y C 1.318 177.309 175.900 0.152 0.000 1.076 183 Y CA -0.383 57.570 58.100 -0.244 0.000 1.530 183 Y CB 0.358 38.407 38.460 -0.685 0.000 1.546 183 Y HN 0.858 nan 8.280 nan 0.000 0.537 184 D N 0.291 120.882 120.400 0.319 0.000 2.162 184 D HA -0.108 4.341 4.640 -0.318 0.000 0.203 184 D C 0.285 176.996 176.300 0.685 0.000 0.967 184 D CA 0.827 55.107 54.000 0.466 0.000 0.840 184 D CB 0.285 41.331 40.800 0.411 0.000 0.972 184 D HN 0.301 nan 8.370 nan 0.000 0.482 185 F N -0.601 119.685 119.950 0.559 0.000 2.672 185 F HA 0.468 4.803 4.527 -0.319 0.000 0.311 185 F C -2.103 174.077 175.800 0.633 0.000 1.113 185 F CA -1.093 57.232 58.000 0.541 0.000 0.996 185 F CB 1.324 40.539 39.000 0.359 0.000 1.286 185 F HN 0.051 nan 8.300 nan 0.000 0.441 186 W N 4.601 125.797 121.300 -0.174 0.000 3.189 186 W HA 0.583 5.052 4.660 -0.318 0.000 0.314 186 W C -2.249 174.098 176.519 -0.287 0.000 1.204 186 W CA -1.170 56.136 57.345 -0.065 0.000 1.171 186 W CB 0.984 30.503 29.460 0.098 0.000 1.394 186 W HN 0.762 nan 8.180 nan 0.000 0.568 187 R N 2.760 123.214 120.500 -0.076 0.000 2.734 187 R HA 0.387 4.536 4.340 -0.318 0.000 0.268 187 R C -2.584 173.661 176.300 -0.091 0.000 1.785 187 R CA -1.371 54.608 56.100 -0.202 0.000 1.461 187 R CB 0.776 31.017 30.300 -0.100 0.000 1.308 187 R HN 0.213 nan 8.270 nan 0.000 0.586 188 P HA -0.031 nan 4.420 nan 0.000 0.266 188 P C -0.300 177.004 177.300 0.007 0.000 1.193 188 P CA 0.116 63.180 63.100 -0.061 0.000 0.770 188 P CB 0.556 32.151 31.700 -0.174 0.000 0.836 189 T N -1.137 113.457 114.554 0.066 0.000 2.946 189 T HA 0.337 4.496 4.350 -0.318 0.000 0.311 189 T C 1.261 176.045 174.700 0.140 0.000 1.063 189 T CA 0.310 62.461 62.100 0.084 0.000 1.139 189 T CB 0.188 69.094 68.868 0.065 0.000 0.994 189 T HN 0.881 nan 8.240 nan 0.000 0.547 190 G N 1.542 110.412 108.800 0.116 0.000 2.254 190 G HA2 -0.192 3.577 3.960 -0.318 0.000 0.225 190 G HA3 -0.192 3.577 3.960 -0.318 0.000 0.225 190 G C -0.146 174.789 174.900 0.058 0.000 1.003 190 G CA -0.103 45.057 45.100 0.100 0.000 0.622 190 G HN 1.023 nan 8.290 nan 0.000 0.507 191 H N 1.085 120.117 119.070 -0.064 0.000 2.552 191 H HA 0.562 4.927 4.556 -0.319 0.000 0.311 191 H C 1.308 176.533 175.328 -0.172 0.000 1.071 191 H CA -0.305 55.678 56.048 -0.107 0.000 1.307 191 H CB 1.505 31.201 29.762 -0.110 0.000 1.416 191 H HN 0.010 nan 8.280 nan 0.000 0.464 192 K N 2.734 122.984 120.400 -0.251 0.000 2.097 192 K HA -0.045 4.084 4.320 -0.318 0.000 0.205 192 K C -0.279 175.996 176.600 -0.541 0.000 1.050 192 K CA 1.172 57.141 56.287 -0.530 0.000 0.938 192 K CB 0.192 32.112 32.500 -0.967 0.000 0.718 192 K HN 0.459 nan 8.250 nan 0.000 0.442 193 Y N 0.361 120.707 120.300 0.077 0.000 2.468 193 Y HA 0.335 4.693 4.550 -0.319 0.000 0.342 193 Y C -2.233 173.637 175.900 -0.051 0.000 1.021 193 Y CA -3.795 54.338 58.100 0.055 0.000 1.079 193 Y CB 0.300 38.831 38.460 0.118 0.000 1.226 193 Y HN -0.098 nan 8.280 nan 0.000 0.460 194 P HA 0.068 nan 4.420 nan 0.000 0.268 194 P C -0.819 176.263 177.300 -0.364 0.000 1.208 194 P CA -0.001 62.822 63.100 -0.462 0.000 0.777 194 P CB 0.571 31.757 31.700 -0.855 0.000 0.875 195 L N 2.115 122.932 121.223 -0.678 0.000 2.305 195 L HA 0.447 4.596 4.340 -0.318 0.000 0.281 195 L C -0.021 176.498 176.870 -0.585 0.000 1.085 195 L CA -0.375 54.033 54.840 -0.721 0.000 0.813 195 L CB 0.860 42.119 42.059 -1.333 0.000 1.157 195 L HN 0.063 nan 8.230 nan 0.000 0.436 196 V N 1.985 121.792 119.914 -0.180 0.000 2.623 196 V HA 0.244 4.173 4.120 -0.318 0.000 0.304 196 V C -0.876 175.325 176.094 0.178 0.000 1.054 196 V CA -0.624 61.750 62.300 0.123 0.000 0.882 196 V CB 2.258 34.249 31.823 0.280 0.000 1.002 196 V HN 0.651 nan 8.190 nan 0.000 0.424 197 D N 3.403 123.986 120.400 0.304 0.000 2.467 197 D HA 0.318 4.767 4.640 -0.318 0.000 0.220 197 D C 1.202 177.641 176.300 0.232 0.000 1.103 197 D CA 0.466 54.623 54.000 0.261 0.000 0.886 197 D CB 1.811 42.803 40.800 0.320 0.000 1.025 197 D HN 0.625 nan 8.370 nan 0.000 0.514 198 G N 3.267 112.164 108.800 0.163 0.000 2.553 198 G HA2 -0.325 3.444 3.960 -0.318 0.000 0.218 198 G HA3 -0.325 3.444 3.960 -0.318 0.000 0.218 198 G C 1.365 176.348 174.900 0.139 0.000 1.195 198 G CA 1.299 46.477 45.100 0.129 0.000 0.779 198 G HN 0.582 nan 8.290 nan 0.000 0.577 199 A N 0.159 123.049 122.820 0.117 0.000 1.873 199 A HA 0.157 4.286 4.320 -0.318 0.000 0.215 199 A C 2.425 180.089 177.584 0.133 0.000 1.186 199 A CA 1.347 53.448 52.037 0.106 0.000 0.616 199 A CB -0.514 18.535 19.000 0.082 0.000 0.823 199 A HN 0.357 nan 8.150 nan 0.000 0.442 200 L N 0.661 121.979 121.223 0.160 0.000 2.043 200 L HA -0.239 3.909 4.340 -0.318 0.000 0.212 200 L C 2.998 179.995 176.870 0.211 0.000 1.075 200 L CA 2.307 57.255 54.840 0.181 0.000 0.752 200 L CB -0.427 41.759 42.059 0.212 0.000 0.891 200 L HN 0.664 nan 8.230 nan 0.000 0.432 201 S N -0.734 115.118 115.700 0.252 0.000 2.382 201 S HA -0.247 4.032 4.470 -0.318 0.000 0.228 201 S C 1.871 176.605 174.600 0.222 0.000 1.027 201 S CA 1.237 59.616 58.200 0.298 0.000 0.991 201 S CB -0.245 63.172 63.200 0.361 0.000 0.823 201 S HN 0.425 nan 8.310 nan 0.000 0.469 202 K N 1.238 121.736 120.400 0.163 0.000 2.002 202 K HA -0.068 4.061 4.320 -0.318 0.000 0.209 202 K C 1.996 178.654 176.600 0.096 0.000 1.048 202 K CA 1.651 57.992 56.287 0.090 0.000 0.930 202 K CB -0.317 32.233 32.500 0.083 0.000 0.714 202 K HN 0.349 nan 8.250 nan 0.000 0.438 203 D N 0.760 121.225 120.400 0.110 0.000 2.104 203 D HA -0.174 4.275 4.640 -0.318 0.000 0.194 203 D C 1.901 178.277 176.300 0.127 0.000 0.994 203 D CA 1.575 55.638 54.000 0.105 0.000 0.830 203 D CB -0.383 40.478 40.800 0.101 0.000 0.959 203 D HN 0.228 nan 8.370 nan 0.000 0.452 204 A N 0.091 123.010 122.820 0.165 0.000 1.940 204 A HA -0.238 3.891 4.320 -0.318 0.000 0.219 204 A C 2.217 179.870 177.584 0.115 0.000 1.176 204 A CA 1.488 53.648 52.037 0.204 0.000 0.631 204 A CB -1.120 18.060 19.000 0.301 0.000 0.814 204 A HN 0.392 nan 8.150 nan 0.000 0.446 205 Y N -0.006 120.169 120.300 -0.209 0.000 2.145 205 Y HA -0.163 4.196 4.550 -0.318 0.000 0.286 205 Y C 2.081 177.871 175.900 -0.183 0.000 1.145 205 Y CA 1.940 59.678 58.100 -0.602 0.000 1.148 205 Y CB -0.158 38.002 38.460 -0.500 0.000 0.981 205 Y HN 0.260 nan 8.280 nan 0.000 0.507 206 I N -0.073 120.604 120.570 0.178 0.000 2.202 206 I HA -0.277 3.702 4.170 -0.318 0.000 0.242 206 I C 2.673 178.843 176.117 0.087 0.000 1.091 206 I CA 1.446 62.846 61.300 0.166 0.000 1.368 206 I CB -0.397 37.670 38.000 0.112 0.000 1.058 206 I HN 0.154 nan 8.210 nan 0.000 0.410 207 R N 0.436 120.976 120.500 0.067 0.000 2.096 207 R HA -0.240 3.909 4.340 -0.318 0.000 0.240 207 R C 2.475 178.779 176.300 0.006 0.000 1.139 207 R CA 2.199 58.319 56.100 0.034 0.000 0.952 207 R CB -0.380 29.975 30.300 0.090 0.000 0.854 207 R HN 0.196 nan 8.270 nan 0.000 0.436 208 S N -0.526 115.252 115.700 0.131 0.000 2.368 208 S HA -0.194 4.085 4.470 -0.318 0.000 0.225 208 S C 1.641 176.305 174.600 0.107 0.000 1.030 208 S CA 1.431 59.808 58.200 0.295 0.000 0.999 208 S CB -0.439 63.120 63.200 0.598 0.000 0.844 208 S HN 0.508 nan 8.310 nan 0.000 0.459 209 F N 1.609 121.322 119.950 -0.395 0.000 2.102 209 F HA -0.115 4.223 4.527 -0.315 0.000 0.298 209 F C 2.428 177.954 175.800 -0.456 0.000 1.105 209 F CA 1.809 59.190 58.000 -1.031 0.000 1.239 209 F CB -0.355 37.947 39.000 -1.162 0.000 0.991 209 F HN 0.263 nan 8.300 nan 0.000 0.474 210 Q N -0.217 119.291 119.800 -0.485 0.000 2.079 210 Q HA -0.203 3.946 4.340 -0.318 0.000 0.200 210 Q C 2.271 178.034 176.000 -0.395 0.000 0.974 210 Q CA 1.337 56.860 55.803 -0.468 0.000 0.840 210 Q CB -0.238 28.364 28.738 -0.226 0.000 0.898 210 Q HN 0.414 nan 8.270 nan 0.000 0.430 211 Q N 0.190 119.738 119.800 -0.420 0.000 2.061 211 Q HA -0.139 4.010 4.340 -0.318 0.000 0.204 211 Q C 2.227 177.980 176.000 -0.413 0.000 0.984 211 Q CA 1.633 57.092 55.803 -0.573 0.000 0.846 211 Q CB -0.442 27.508 28.738 -1.314 0.000 0.902 211 Q HN 0.254 nan 8.270 nan 0.000 0.421 212 S N 0.470 116.010 115.700 -0.266 0.000 2.356 212 S HA -0.126 4.153 4.470 -0.318 0.000 0.223 212 S C 1.368 175.890 174.600 -0.130 0.000 1.032 212 S CA 1.040 59.228 58.200 -0.019 0.000 1.005 212 S CB -0.467 62.898 63.200 0.274 0.000 0.867 212 S HN 0.598 nan 8.310 nan 0.000 0.449 213 W N 3.062 124.018 121.300 -0.575 0.000 2.354 213 W HA -0.172 4.298 4.660 -0.317 0.000 0.315 213 W C 1.491 177.755 176.519 -0.426 0.000 1.206 213 W CA 1.371 58.234 57.345 -0.804 0.000 1.290 213 W CB -0.728 27.974 29.460 -1.265 0.000 1.152 213 W HN 0.253 nan 8.180 nan 0.000 0.489 214 N N 1.119 119.423 118.700 -0.659 0.000 2.094 214 N HA -0.251 4.298 4.740 -0.318 0.000 0.191 214 N C 1.508 176.736 175.510 -0.470 0.000 1.023 214 N CA 2.311 55.006 53.050 -0.592 0.000 0.857 214 N CB -0.813 37.486 38.487 -0.313 0.000 1.013 214 N HN 0.321 nan 8.380 nan 0.000 0.426 215 E N -0.096 119.912 120.200 -0.320 0.000 2.072 215 E HA -0.132 4.027 4.350 -0.318 0.000 0.190 215 E C 1.943 178.434 176.600 -0.183 0.000 0.982 215 E CA 0.722 57.006 56.400 -0.193 0.000 0.803 215 E CB -0.419 29.231 29.700 -0.084 0.000 0.755 215 E HN 0.476 nan 8.360 nan 0.000 0.453 216 Y N 0.477 120.593 120.300 -0.306 0.000 2.097 216 Y HA -0.234 4.126 4.550 -0.317 0.000 0.282 216 Y C 2.132 177.807 175.900 -0.374 0.000 1.152 216 Y CA 2.301 60.261 58.100 -0.232 0.000 1.136 216 Y CB -0.728 37.664 38.460 -0.112 0.000 0.975 216 Y HN 0.119 nan 8.280 nan 0.000 0.498 217 A N 0.467 122.901 122.820 -0.643 0.000 1.917 217 A HA -0.280 3.849 4.320 -0.318 0.000 0.219 217 A C 2.310 179.643 177.584 -0.419 0.000 1.182 217 A CA 2.189 53.816 52.037 -0.684 0.000 0.633 217 A CB -0.865 17.538 19.000 -0.995 0.000 0.819 217 A HN 0.592 nan 8.150 nan 0.000 0.448 218 K N -0.557 119.625 120.400 -0.365 0.000 2.001 218 K HA -0.125 4.003 4.320 -0.318 0.000 0.208 218 K C 2.287 178.763 176.600 -0.207 0.000 1.048 218 K CA 1.311 57.454 56.287 -0.240 0.000 0.932 218 K CB -0.198 32.183 32.500 -0.198 0.000 0.715 218 K HN 0.442 nan 8.250 nan 0.000 0.437 219 R N -0.135 120.232 120.500 -0.221 0.000 2.120 219 R HA -0.077 4.072 4.340 -0.318 0.000 0.234 219 R C 2.109 178.279 176.300 -0.216 0.000 1.123 219 R CA 1.170 57.160 56.100 -0.185 0.000 0.975 219 R CB 0.008 30.216 30.300 -0.153 0.000 0.866 219 R HN 0.293 nan 8.270 nan 0.000 0.446 220 Q N -0.859 118.740 119.800 -0.336 0.000 2.384 220 Q HA 0.122 4.271 4.340 -0.318 0.000 0.207 220 Q C 0.899 176.779 176.000 -0.201 0.000 0.904 220 Q CA 0.675 56.291 55.803 -0.311 0.000 0.933 220 Q CB 1.000 29.402 28.738 -0.561 0.000 1.077 220 Q HN 0.487 nan 8.270 nan 0.000 0.522 221 G N 2.294 110.981 108.800 -0.189 0.000 2.341 221 G HA2 -0.287 3.482 3.960 -0.318 0.000 0.292 221 G HA3 -0.287 3.482 3.960 -0.318 0.000 0.292 221 G C -0.050 174.800 174.900 -0.083 0.000 1.021 221 G CA 0.613 45.639 45.100 -0.122 0.000 0.905 221 G HN 0.157 nan 8.290 nan 0.000 0.508 222 K N -0.352 119.996 120.400 -0.087 0.000 2.185 222 K HA 0.745 4.874 4.320 -0.318 0.000 0.240 222 K C 0.428 177.112 176.600 0.140 0.000 0.983 222 K CA -0.001 56.314 56.287 0.047 0.000 0.873 222 K CB 1.897 34.499 32.500 0.170 0.000 1.118 222 K HN 0.502 nan 8.250 nan 0.000 0.441 223 S N -0.305 115.565 115.700 0.283 0.000 2.740 223 S HA 0.335 4.614 4.470 -0.318 0.000 0.300 223 S C 1.176 176.156 174.600 0.634 0.000 1.147 223 S CA -0.886 57.598 58.200 0.473 0.000 0.871 223 S CB 0.440 63.799 63.200 0.264 0.000 1.173 223 S HN 0.547 nan 8.310 nan 0.000 0.510 224 L N 0.739 122.275 121.223 0.522 0.000 2.043 224 L HA -0.129 4.020 4.340 -0.318 0.000 0.212 224 L C 3.068 180.105 176.870 0.279 0.000 1.075 224 L CA 1.849 56.867 54.840 0.297 0.000 0.752 224 L CB -1.090 40.992 42.059 0.038 0.000 0.891 224 L HN 0.939 nan 8.230 nan 0.000 0.432 225 A N -0.358 122.576 122.820 0.190 0.000 2.084 225 A HA -0.242 3.887 4.320 -0.318 0.000 0.221 225 A C 1.795 179.428 177.584 0.081 0.000 1.161 225 A CA 1.997 54.105 52.037 0.118 0.000 0.653 225 A CB -0.483 18.566 19.000 0.083 0.000 0.802 225 A HN 0.436 nan 8.150 nan 0.000 0.457 226 D N -1.510 118.922 120.400 0.053 0.000 2.347 226 D HA 0.079 4.528 4.640 -0.318 0.000 0.215 226 D C -0.436 175.653 176.300 -0.351 0.000 0.976 226 D CA 0.450 54.358 54.000 -0.154 0.000 0.884 226 D CB -0.040 40.614 40.800 -0.243 0.000 0.915 226 D HN 0.462 nan 8.370 nan 0.000 0.526 227 F N 0.099 120.128 119.950 0.132 0.000 2.415 227 F HA 0.387 4.723 4.527 -0.318 0.000 0.348 227 F C 1.385 177.223 175.800 0.065 0.000 1.119 227 F CA -0.924 57.140 58.000 0.106 0.000 1.069 227 F CB 1.696 40.768 39.000 0.120 0.000 1.124 227 F HN -0.226 nan 8.300 nan 0.000 0.472 228 A N 2.097 125.033 122.820 0.194 0.000 2.019 228 A HA 0.055 4.184 4.320 -0.318 0.000 0.219 228 A C 0.895 178.557 177.584 0.131 0.000 1.164 228 A CA 1.548 53.661 52.037 0.127 0.000 0.644 228 A CB -0.176 18.876 19.000 0.086 0.000 0.805 228 A HN 0.574 nan 8.150 nan 0.000 0.449 229 S N -2.358 113.443 115.700 0.168 0.000 2.586 229 S HA 0.543 4.822 4.470 -0.318 0.000 0.277 229 S C -1.544 173.095 174.600 0.064 0.000 1.131 229 S CA -0.734 57.529 58.200 0.106 0.000 0.848 229 S CB 0.471 63.706 63.200 0.058 0.000 1.091 229 S HN 0.282 nan 8.310 nan 0.000 0.453 230 L N 2.079 123.326 121.223 0.040 0.000 2.330 230 L HA 0.740 4.889 4.340 -0.318 0.000 0.271 230 L C -0.466 176.390 176.870 -0.024 0.000 1.013 230 L CA -0.840 53.951 54.840 -0.082 0.000 0.816 230 L CB 1.790 43.796 42.059 -0.089 0.000 1.287 230 L HN 0.762 nan 8.230 nan 0.000 0.435 231 C N 2.337 121.490 119.300 -0.245 0.000 2.482 231 C HA 0.709 4.978 4.460 -0.318 0.000 0.317 231 C C -0.750 174.078 174.990 -0.269 0.000 1.197 231 C CA -0.546 58.385 59.018 -0.146 0.000 1.432 231 C CB 0.684 28.306 27.740 -0.197 0.000 2.062 231 C HN 0.617 nan 8.230 nan 0.000 0.471 232 F N 2.989 122.910 119.950 -0.049 0.000 2.546 232 F HA 0.400 4.735 4.527 -0.321 0.000 0.320 232 F C 0.309 176.126 175.800 0.027 0.000 1.076 232 F CA -0.590 57.446 58.000 0.059 0.000 0.928 232 F CB 0.999 40.092 39.000 0.155 0.000 1.189 232 F HN 0.743 nan 8.300 nan 0.000 0.465 233 H N 1.597 120.781 119.070 0.191 0.000 3.070 233 H HA 0.301 4.667 4.556 -0.316 0.000 0.313 233 H C -1.028 174.426 175.328 0.211 0.000 0.997 233 H CA 0.021 56.155 56.048 0.143 0.000 1.438 233 H CB 0.530 30.392 29.762 0.167 0.000 1.455 233 H HN 0.289 nan 8.280 nan 0.000 0.575 234 V N 9.848 129.494 119.914 -0.446 0.000 2.239 234 V HA 0.152 4.081 4.120 -0.318 0.000 0.267 234 V C -1.521 174.265 176.094 -0.513 0.000 1.056 234 V CA -1.079 60.970 62.300 -0.418 0.000 0.830 234 V CB 1.111 32.794 31.823 -0.232 0.000 1.090 234 V HN 0.855 nan 8.190 nan 0.000 0.459 235 P HA -0.020 nan 4.420 nan 0.000 0.217 235 P C 0.050 177.355 177.300 0.008 0.000 1.151 235 P CA 1.218 64.219 63.100 -0.166 0.000 0.828 235 P CB 0.227 31.903 31.700 -0.040 0.000 0.788 236 F N -4.271 115.564 119.950 -0.192 0.000 2.650 236 F HA 0.444 4.777 4.527 -0.324 0.000 0.310 236 F C 1.146 176.845 175.800 -0.167 0.000 1.112 236 F CA -0.672 57.224 58.000 -0.173 0.000 0.986 236 F CB -0.318 38.580 39.000 -0.171 0.000 1.285 236 F HN -0.333 nan 8.300 nan 0.000 0.440 237 T N -1.897 112.652 114.554 -0.008 0.000 2.803 237 T HA -0.203 3.956 4.350 -0.318 0.000 0.269 237 T C 1.567 176.244 174.700 -0.039 0.000 1.052 237 T CA 1.930 64.000 62.100 -0.050 0.000 1.136 237 T CB -0.244 68.602 68.868 -0.037 0.000 0.864 237 T HN 0.659 nan 8.240 nan 0.000 0.467 238 K N 0.332 120.747 120.400 0.025 0.000 2.283 238 K HA 0.166 4.295 4.320 -0.318 0.000 0.202 238 K C 2.120 178.533 176.600 -0.312 0.000 1.048 238 K CA 0.892 57.162 56.287 -0.028 0.000 0.948 238 K CB -0.529 32.074 32.500 0.172 0.000 0.742 238 K HN 0.387 nan 8.250 nan 0.000 0.458 239 M N -0.692 118.429 119.600 -0.798 0.000 2.132 239 M HA 0.021 4.310 4.480 -0.318 0.000 0.263 239 M C 1.826 177.638 176.300 -0.814 0.000 1.065 239 M CA 2.016 56.681 55.300 -1.058 0.000 1.122 239 M CB -0.780 30.780 32.600 -1.733 0.000 1.365 239 M HN 0.156 nan 8.290 nan 0.000 0.411 240 G N -0.754 107.649 108.800 -0.662 0.000 2.422 240 G HA2 -0.235 3.534 3.960 -0.318 0.000 0.218 240 G HA3 -0.235 3.534 3.960 -0.318 0.000 0.218 240 G C 1.589 175.734 174.900 -1.258 0.000 1.140 240 G CA 1.221 45.867 45.100 -0.756 0.000 0.775 240 G HN 0.451 nan 8.290 nan 0.000 0.545 241 K N 0.799 120.598 120.400 -1.001 0.000 2.031 241 K HA 0.065 4.194 4.320 -0.318 0.000 0.205 241 K C 2.402 178.634 176.600 -0.612 0.000 1.049 241 K CA 1.236 56.961 56.287 -0.938 0.000 0.939 241 K CB -0.275 31.891 32.500 -0.557 0.000 0.717 241 K HN 0.199 nan 8.250 nan 0.000 0.438 242 K N -0.065 120.064 120.400 -0.450 0.000 2.044 242 K HA -0.166 3.963 4.320 -0.318 0.000 0.210 242 K C 2.108 178.517 176.600 -0.319 0.000 1.049 242 K CA 1.653 57.754 56.287 -0.311 0.000 0.927 242 K CB -0.324 32.033 32.500 -0.237 0.000 0.713 242 K HN 0.276 nan 8.250 nan 0.000 0.443 243 A N 0.964 123.518 122.820 -0.443 0.000 1.930 243 A HA -0.128 4.001 4.320 -0.318 0.000 0.217 243 A C 2.080 179.406 177.584 -0.430 0.000 1.175 243 A CA 1.089 52.901 52.037 -0.376 0.000 0.627 243 A CB -0.455 18.315 19.000 -0.384 0.000 0.815 243 A HN 0.242 nan 8.150 nan 0.000 0.443 244 L N -0.090 120.695 121.223 -0.730 0.000 2.005 244 L HA -0.106 4.043 4.340 -0.318 0.000 0.207 244 L C 2.098 178.829 176.870 -0.232 0.000 1.072 244 L CA 2.231 56.792 54.840 -0.466 0.000 0.744 244 L CB -0.676 40.999 42.059 -0.640 0.000 0.895 244 L HN 0.325 nan 8.230 nan 0.000 0.433 245 E N -0.119 119.915 120.200 -0.276 0.000 2.219 245 E HA -0.212 3.946 4.350 -0.318 0.000 0.198 245 E C 2.326 178.864 176.600 -0.104 0.000 0.998 245 E CA 1.320 57.616 56.400 -0.173 0.000 0.818 245 E CB -0.517 29.076 29.700 -0.179 0.000 0.741 245 E HN 0.744 nan 8.360 nan 0.000 0.477 246 S N -0.319 115.332 115.700 -0.082 0.000 2.489 246 S HA -0.045 4.234 4.470 -0.318 0.000 0.228 246 S C 1.739 176.337 174.600 -0.005 0.000 0.995 246 S CA 0.375 58.559 58.200 -0.025 0.000 0.934 246 S CB 0.065 63.270 63.200 0.009 0.000 0.771 246 S HN 0.143 nan 8.310 nan 0.000 0.522 247 I N 0.858 121.428 120.570 0.001 0.000 4.154 247 I HA 0.418 4.397 4.170 -0.318 0.000 0.334 247 I C 1.225 177.296 176.117 -0.076 0.000 1.371 247 I CA -0.203 61.067 61.300 -0.051 0.000 1.110 247 I CB 0.441 38.348 38.000 -0.155 0.000 1.085 247 I HN 0.508 nan 8.210 nan 0.000 0.398 248 I N -2.978 117.552 120.570 -0.066 0.000 3.956 248 I HA 0.181 4.160 4.170 -0.318 0.000 0.333 248 I C 1.196 177.291 176.117 -0.037 0.000 1.302 248 I CA 0.174 61.438 61.300 -0.060 0.000 1.122 248 I CB -0.355 37.604 38.000 -0.070 0.000 1.013 248 I HN -0.031 nan 8.210 nan 0.000 0.405 249 D N 1.890 122.271 120.400 -0.033 0.000 2.133 249 D HA -0.272 4.177 4.640 -0.318 0.000 0.195 249 D C 1.326 177.620 176.300 -0.010 0.000 0.997 249 D CA 1.843 55.829 54.000 -0.023 0.000 0.840 249 D CB -0.799 39.988 40.800 -0.021 0.000 0.947 249 D HN 0.494 nan 8.370 nan 0.000 0.452 250 N N -0.368 118.331 118.700 -0.001 0.000 2.336 250 N HA 0.277 4.826 4.740 -0.318 0.000 0.189 250 N C -0.200 175.322 175.510 0.020 0.000 1.113 250 N CA 0.077 53.134 53.050 0.011 0.000 0.858 250 N CB 0.361 38.859 38.487 0.017 0.000 0.970 250 N HN 0.222 nan 8.380 nan 0.000 0.471 251 A N 1.088 123.917 122.820 0.016 0.000 2.386 251 A HA 0.195 4.324 4.320 -0.318 0.000 0.248 251 A C 0.152 177.747 177.584 0.018 0.000 1.082 251 A CA -0.630 51.422 52.037 0.024 0.000 0.789 251 A CB 0.149 19.159 19.000 0.016 0.000 1.025 251 A HN 0.419 nan 8.150 nan 0.000 0.490 252 D N 0.445 120.860 120.400 0.025 0.000 2.372 252 D HA 0.082 4.531 4.640 -0.318 0.000 0.243 252 D C 0.689 176.999 176.300 0.016 0.000 1.297 252 D CA 0.186 54.198 54.000 0.020 0.000 0.958 252 D CB 0.411 41.225 40.800 0.023 0.000 1.114 252 D HN 0.570 nan 8.370 nan 0.000 0.496 253 E N -0.762 119.445 120.200 0.013 0.000 2.158 253 E HA -0.106 4.053 4.350 -0.318 0.000 0.191 253 E C 1.976 178.584 176.600 0.014 0.000 0.982 253 E CA 1.069 57.475 56.400 0.010 0.000 0.823 253 E CB -0.289 29.416 29.700 0.008 0.000 0.766 253 E HN 0.547 nan 8.360 nan 0.000 0.468 254 T N 1.129 115.694 114.554 0.019 0.000 2.708 254 T HA -0.126 4.033 4.350 -0.318 0.000 0.266 254 T C 2.078 176.795 174.700 0.029 0.000 1.037 254 T CA 1.769 63.882 62.100 0.023 0.000 1.146 254 T CB -0.386 68.497 68.868 0.025 0.000 0.865 254 T HN 0.151 nan 8.240 nan 0.000 0.435 255 T N 2.347 116.921 114.554 0.033 0.000 2.788 255 T HA -0.110 4.049 4.350 -0.318 0.000 0.268 255 T C 2.168 176.886 174.700 0.031 0.000 1.044 255 T CA 1.139 63.264 62.100 0.042 0.000 1.139 255 T CB -0.258 68.640 68.868 0.050 0.000 0.867 255 T HN 0.507 nan 8.240 nan 0.000 0.454 256 Q N 0.458 120.268 119.800 0.017 0.000 2.079 256 Q HA -0.077 4.072 4.340 -0.318 0.000 0.200 256 Q C 2.387 178.391 176.000 0.008 0.000 0.974 256 Q CA 1.096 56.901 55.803 0.003 0.000 0.840 256 Q CB -0.106 28.628 28.738 -0.007 0.000 0.898 256 Q HN 0.601 nan 8.270 nan 0.000 0.430 257 E N 1.217 121.425 120.200 0.013 0.000 2.051 257 E HA -0.217 3.942 4.350 -0.318 0.000 0.192 257 E C 2.193 178.808 176.600 0.025 0.000 0.991 257 E CA 0.741 57.150 56.400 0.015 0.000 0.799 257 E CB 0.065 29.775 29.700 0.016 0.000 0.748 257 E HN 0.131 nan 8.360 nan 0.000 0.449 258 R N 0.451 120.972 120.500 0.034 0.000 2.073 258 R HA -0.143 4.006 4.340 -0.318 0.000 0.234 258 R C 2.446 178.780 176.300 0.057 0.000 1.134 258 R CA 1.374 57.501 56.100 0.046 0.000 0.952 258 R CB -0.283 30.048 30.300 0.052 0.000 0.850 258 R HN 0.275 nan 8.270 nan 0.000 0.433 259 L N -0.175 121.082 121.223 0.057 0.000 2.109 259 L HA -0.070 4.079 4.340 -0.318 0.000 0.207 259 L C 2.741 179.660 176.870 0.081 0.000 1.086 259 L CA 1.096 55.980 54.840 0.073 0.000 0.760 259 L CB -0.421 41.672 42.059 0.057 0.000 0.910 259 L HN 0.168 nan 8.230 nan 0.000 0.437 260 R N -0.297 120.228 120.500 0.041 0.000 2.083 260 R HA -0.175 3.974 4.340 -0.318 0.000 0.237 260 R C 2.687 179.037 176.300 0.082 0.000 1.137 260 R CA 1.758 57.880 56.100 0.037 0.000 0.951 260 R CB -0.470 29.829 30.300 -0.003 0.000 0.851 260 R HN 0.251 nan 8.270 nan 0.000 0.434 261 S N -0.220 115.515 115.700 0.058 0.000 2.345 261 S HA -0.093 4.186 4.470 -0.318 0.000 0.220 261 S C 2.148 176.779 174.600 0.051 0.000 1.031 261 S CA 1.381 59.610 58.200 0.049 0.000 0.996 261 S CB -0.640 62.581 63.200 0.035 0.000 0.882 261 S HN 0.489 nan 8.310 nan 0.000 0.445 262 G N 0.317 109.152 108.800 0.059 0.000 2.599 262 G HA2 -0.333 3.436 3.960 -0.318 0.000 0.219 262 G HA3 -0.333 3.436 3.960 -0.318 0.000 0.219 262 G C 1.274 176.188 174.900 0.024 0.000 1.193 262 G CA 1.383 46.509 45.100 0.044 0.000 0.778 262 G HN 0.627 nan 8.290 nan 0.000 0.589 263 Y N 1.511 121.803 120.300 -0.013 0.000 2.062 263 Y HA -0.255 4.108 4.550 -0.312 0.000 0.276 263 Y C 2.958 178.823 175.900 -0.059 0.000 1.189 263 Y CA 2.559 60.639 58.100 -0.033 0.000 1.130 263 Y CB -0.209 38.208 38.460 -0.071 0.000 0.959 263 Y HN 0.214 nan 8.280 nan 0.000 0.499 264 E N 0.365 120.569 120.200 0.007 0.000 2.097 264 E HA -0.204 3.955 4.350 -0.318 0.000 0.196 264 E C 1.878 178.398 176.600 -0.133 0.000 1.000 264 E CA 1.629 57.997 56.400 -0.052 0.000 0.804 264 E CB -0.560 29.148 29.700 0.013 0.000 0.740 264 E HN 0.555 nan 8.360 nan 0.000 0.454 265 D N -0.453 119.878 120.400 -0.114 0.000 2.144 265 D HA -0.087 4.362 4.640 -0.318 0.000 0.199 265 D C 1.670 177.835 176.300 -0.225 0.000 0.984 265 D CA 1.410 55.331 54.000 -0.132 0.000 0.834 265 D CB -0.213 40.537 40.800 -0.083 0.000 0.955 265 D HN 0.208 nan 8.370 nan 0.000 0.465 266 A N 0.355 123.009 122.820 -0.278 0.000 1.968 266 A HA -0.067 4.062 4.320 -0.318 0.000 0.217 266 A C 2.086 179.435 177.584 -0.391 0.000 1.169 266 A CA 1.382 53.222 52.037 -0.328 0.000 0.638 266 A CB -0.192 18.614 19.000 -0.323 0.000 0.812 266 A HN 0.231 nan 8.150 nan 0.000 0.446 267 V N -3.406 116.239 119.914 -0.449 0.000 3.542 267 V HA 0.085 4.014 4.120 -0.318 0.000 0.296 267 V C 1.341 177.317 176.094 -0.197 0.000 1.364 267 V CA 0.740 62.822 62.300 -0.364 0.000 1.118 267 V CB -0.156 31.395 31.823 -0.452 0.000 0.972 267 V HN 0.484 nan 8.190 nan 0.000 0.430 268 D N 0.859 121.158 120.400 -0.169 0.000 2.092 268 D HA -0.245 4.204 4.640 -0.318 0.000 0.193 268 D C 1.873 178.300 176.300 0.212 0.000 0.994 268 D CA 1.996 55.992 54.000 -0.007 0.000 0.828 268 D CB 0.015 40.791 40.800 -0.041 0.000 0.963 268 D HN 0.499 nan 8.370 nan 0.000 0.450 269 Y N 1.760 122.067 120.300 0.012 0.000 2.145 269 Y HA -0.094 4.295 4.550 -0.269 0.000 0.286 269 Y C 2.343 178.235 175.900 -0.014 0.000 1.145 269 Y CA 0.573 58.682 58.100 0.014 0.000 1.148 269 Y CB -1.289 37.065 38.460 -0.177 0.000 0.981 269 Y HN 0.160 nan 8.280 nan 0.000 0.507 270 N N 0.405 119.123 118.700 0.029 0.000 2.348 270 N HA -0.209 4.340 4.740 -0.318 0.000 0.185 270 N C 2.006 177.466 175.510 -0.083 0.000 1.019 270 N CA 0.873 53.885 53.050 -0.063 0.000 0.880 270 N CB -0.282 38.129 38.487 -0.126 0.000 0.965 270 N HN 0.394 nan 8.380 nan 0.000 0.437 271 R N 0.320 120.744 120.500 -0.126 0.000 2.189 271 R HA -0.087 4.062 4.340 -0.318 0.000 0.218 271 R C 0.623 176.621 176.300 -0.503 0.000 1.074 271 R CA 1.089 56.976 56.100 -0.355 0.000 0.991 271 R CB 0.063 30.055 30.300 -0.514 0.000 0.883 271 R HN 0.275 nan 8.270 nan 0.000 0.457 272 Y N -1.566 118.695 120.300 -0.065 0.000 2.531 272 Y HA 0.188 4.640 4.550 -0.163 0.000 0.249 272 Y C 1.099 176.937 175.900 -0.104 0.000 1.168 272 Y CA -0.460 57.572 58.100 -0.112 0.000 1.226 272 Y CB 1.295 39.680 38.460 -0.124 0.000 1.177 272 Y HN -0.133 nan 8.280 nan 0.000 0.527 273 V N -2.051 117.875 119.914 0.020 0.000 3.102 273 V HA 0.592 4.521 4.120 -0.318 0.000 0.225 273 V C 1.018 177.100 176.094 -0.020 0.000 1.301 273 V CA 0.569 62.877 62.300 0.013 0.000 1.308 273 V CB 0.440 32.266 31.823 0.005 0.000 1.129 273 V HN 0.364 nan 8.190 nan 0.000 0.502 274 G N 1.250 110.021 108.800 -0.048 0.000 2.549 274 G HA2 -0.158 3.611 3.960 -0.318 0.000 0.404 274 G HA3 -0.158 3.611 3.960 -0.318 0.000 0.404 274 G C -0.720 174.155 174.900 -0.041 0.000 1.292 274 G CA -0.078 44.992 45.100 -0.050 0.000 0.935 274 G HN 0.499 nan 8.290 nan 0.000 0.512 275 N N 0.446 119.133 118.700 -0.022 0.000 2.497 275 N HA 0.412 4.961 4.740 -0.318 0.000 0.268 275 N C 1.219 176.680 175.510 -0.081 0.000 1.171 275 N CA 0.070 53.113 53.050 -0.012 0.000 0.948 275 N CB 0.470 39.007 38.487 0.084 0.000 1.069 275 N HN 1.190 nan 8.380 nan 0.000 0.460 276 I N 1.102 121.663 120.570 -0.016 0.000 3.817 276 I HA 0.217 4.196 4.170 -0.318 0.000 0.325 276 I C -0.049 176.158 176.117 0.149 0.000 1.550 276 I CA -0.575 60.712 61.300 -0.022 0.000 1.100 276 I CB -0.467 37.547 38.000 0.024 0.000 1.216 276 I HN 0.552 nan 8.210 nan 0.000 0.481 277 Y N 1.468 121.873 120.300 0.175 0.000 2.852 277 Y HA -0.513 3.850 4.550 -0.312 0.000 0.469 277 Y C 2.431 178.423 175.900 0.153 0.000 1.168 277 Y CA 1.772 59.973 58.100 0.168 0.000 2.632 277 Y CB -1.445 37.071 38.460 0.094 0.000 1.196 277 Y HN 0.431 nan 8.280 nan 0.000 0.624 278 T N -0.984 113.750 114.554 0.300 0.000 2.833 278 T HA -0.049 4.110 4.350 -0.318 0.000 0.269 278 T C 1.558 176.400 174.700 0.237 0.000 1.054 278 T CA 1.303 63.511 62.100 0.180 0.000 1.135 278 T CB -0.833 68.104 68.868 0.115 0.000 0.869 278 T HN 0.749 nan 8.240 nan 0.000 0.466 279 G N 0.435 109.371 108.800 0.228 0.000 2.813 279 G HA2 0.075 3.844 3.960 -0.318 0.000 0.209 279 G HA3 0.075 3.844 3.960 -0.318 0.000 0.209 279 G C 1.626 176.628 174.900 0.170 0.000 1.150 279 G CA 0.406 45.637 45.100 0.218 0.000 0.785 279 G HN 0.512 nan 8.290 nan 0.000 0.535 280 S N 0.487 116.298 115.700 0.185 0.000 2.348 280 S HA -0.126 4.153 4.470 -0.318 0.000 0.221 280 S C 2.178 176.778 174.600 -0.000 0.000 1.033 280 S CA 1.076 59.331 58.200 0.090 0.000 1.010 280 S CB -0.333 62.927 63.200 0.100 0.000 0.891 280 S HN 0.288 nan 8.310 nan 0.000 0.442 281 L N 0.915 122.138 121.223 -0.000 0.000 2.021 281 L HA -0.181 3.968 4.340 -0.318 0.000 0.215 281 L C 1.831 178.472 176.870 -0.381 0.000 1.074 281 L CA 1.933 56.600 54.840 -0.289 0.000 0.760 281 L CB -0.874 40.798 42.059 -0.645 0.000 0.889 281 L HN 0.382 nan 8.230 nan 0.000 0.433 282 Y N -2.123 118.187 120.300 0.016 0.000 2.420 282 Y HA -0.049 4.308 4.550 -0.321 0.000 0.292 282 Y C 2.154 178.033 175.900 -0.035 0.000 1.119 282 Y CA 0.650 58.750 58.100 0.000 0.000 1.229 282 Y CB -0.229 38.243 38.460 0.021 0.000 1.026 282 Y HN 0.247 nan 8.280 nan 0.000 0.554 283 L N -0.482 120.752 121.223 0.018 0.000 2.017 283 L HA -0.205 3.944 4.340 -0.318 0.000 0.208 283 L C 2.555 179.316 176.870 -0.182 0.000 1.073 283 L CA 2.132 56.874 54.840 -0.165 0.000 0.745 283 L CB -1.039 40.860 42.059 -0.266 0.000 0.894 283 L HN 0.166 nan 8.230 nan 0.000 0.432 284 S N -0.959 114.640 115.700 -0.168 0.000 2.382 284 S HA -0.189 4.090 4.470 -0.318 0.000 0.228 284 S C 2.067 176.558 174.600 -0.182 0.000 1.027 284 S CA 1.434 59.513 58.200 -0.202 0.000 0.991 284 S CB -0.609 62.472 63.200 -0.199 0.000 0.823 284 S HN 0.442 nan 8.310 nan 0.000 0.469 285 L N 1.705 122.854 121.223 -0.123 0.000 2.013 285 L HA -0.015 4.134 4.340 -0.318 0.000 0.212 285 L C 2.082 178.932 176.870 -0.033 0.000 1.073 285 L CA 1.825 56.628 54.840 -0.061 0.000 0.753 285 L CB -0.759 41.322 42.059 0.037 0.000 0.890 285 L HN 0.445 nan 8.230 nan 0.000 0.432 286 I N -1.566 118.998 120.570 -0.009 0.000 2.252 286 I HA -0.290 3.689 4.170 -0.318 0.000 0.245 286 I C 2.659 178.729 176.117 -0.079 0.000 1.102 286 I CA 1.422 62.758 61.300 0.060 0.000 1.385 286 I CB -0.466 37.617 38.000 0.138 0.000 1.064 286 I HN 0.347 nan 8.210 nan 0.000 0.414 287 S N 1.044 116.535 115.700 -0.349 0.000 2.356 287 S HA -0.215 4.064 4.470 -0.318 0.000 0.223 287 S C 2.083 176.415 174.600 -0.448 0.000 1.032 287 S CA 1.451 59.147 58.200 -0.839 0.000 1.005 287 S CB -0.412 62.314 63.200 -0.789 0.000 0.867 287 S HN 0.313 nan 8.310 nan 0.000 0.449 288 L N 1.670 122.734 121.223 -0.264 0.000 1.997 288 L HA -0.087 4.062 4.340 -0.318 0.000 0.216 288 L C 2.214 179.053 176.870 -0.051 0.000 1.074 288 L CA 1.950 56.703 54.840 -0.145 0.000 0.763 288 L CB -0.728 41.261 42.059 -0.116 0.000 0.890 288 L HN 0.437 nan 8.230 nan 0.000 0.434 289 L N -1.310 119.916 121.223 0.004 0.000 2.156 289 L HA -0.139 4.010 4.340 -0.318 0.000 0.208 289 L C 2.429 179.418 176.870 0.199 0.000 1.095 289 L CA 1.170 56.095 54.840 0.142 0.000 0.770 289 L CB -0.462 41.711 42.059 0.190 0.000 0.914 289 L HN 0.371 nan 8.230 nan 0.000 0.439 290 E N -0.201 120.069 120.200 0.117 0.000 2.086 290 E HA -0.081 4.078 4.350 -0.318 0.000 0.190 290 E C 1.655 178.296 176.600 0.068 0.000 0.975 290 E CA 0.595 57.077 56.400 0.138 0.000 0.813 290 E CB 0.089 29.947 29.700 0.263 0.000 0.768 290 E HN 0.466 nan 8.360 nan 0.000 0.457 291 N N 0.583 119.268 118.700 -0.025 0.000 2.415 291 N HA -0.014 4.535 4.740 -0.318 0.000 0.176 291 N C 0.628 176.140 175.510 0.004 0.000 1.042 291 N CA 0.313 53.350 53.050 -0.022 0.000 0.902 291 N CB 0.402 38.836 38.487 -0.090 0.000 0.986 291 N HN 0.013 nan 8.380 nan 0.000 0.447 292 R N 0.880 121.391 120.500 0.019 0.000 2.674 292 R HA 0.170 4.319 4.340 -0.318 0.000 0.266 292 R C -1.000 175.354 176.300 0.090 0.000 1.016 292 R CA -0.417 55.708 56.100 0.041 0.000 1.062 292 R CB 0.915 31.233 30.300 0.029 0.000 1.142 292 R HN -0.107 nan 8.270 nan 0.000 0.517 293 D N 3.686 124.139 120.400 0.089 0.000 3.018 293 D HA 0.168 4.617 4.640 -0.318 0.000 0.331 293 D C -0.243 176.141 176.300 0.140 0.000 1.334 293 D CA -0.101 53.967 54.000 0.114 0.000 0.900 293 D CB 0.403 41.244 40.800 0.068 0.000 1.059 293 D HN 0.295 nan 8.370 nan 0.000 0.498 294 L N 0.857 122.187 121.223 0.179 0.000 2.461 294 L HA 0.039 4.188 4.340 -0.318 0.000 0.272 294 L C 1.070 178.069 176.870 0.214 0.000 1.197 294 L CA -0.112 54.814 54.840 0.143 0.000 0.836 294 L CB 0.499 42.597 42.059 0.065 0.000 1.105 294 L HN -0.090 nan 8.230 nan 0.000 0.477 295 Q N 1.569 121.454 119.800 0.142 0.000 2.260 295 Q HA 0.413 4.562 4.340 -0.318 0.000 0.242 295 Q C 0.006 176.096 176.000 0.148 0.000 0.932 295 Q CA -0.477 55.418 55.803 0.154 0.000 0.891 295 Q CB 1.516 30.311 28.738 0.095 0.000 1.222 295 Q HN 0.704 nan 8.270 nan 0.000 0.453 296 A N 0.460 123.392 122.820 0.186 0.000 2.586 296 A HA 0.347 4.476 4.320 -0.318 0.000 0.231 296 A C 1.269 178.894 177.584 0.069 0.000 1.055 296 A CA 1.115 53.232 52.037 0.135 0.000 0.756 296 A CB -0.509 18.577 19.000 0.144 0.000 0.988 296 A HN 1.041 nan 8.150 nan 0.000 0.509 297 G N 0.460 109.285 108.800 0.041 0.000 2.284 297 G HA2 -0.222 3.547 3.960 -0.318 0.000 0.247 297 G HA3 -0.222 3.547 3.960 -0.318 0.000 0.247 297 G C 0.203 175.116 174.900 0.021 0.000 1.012 297 G CA 0.543 45.661 45.100 0.031 0.000 0.618 297 G HN 0.928 nan 8.290 nan 0.000 0.521 298 E N 0.858 121.070 120.200 0.021 0.000 2.392 298 E HA 0.467 4.626 4.350 -0.318 0.000 0.259 298 E C -0.338 176.275 176.600 0.022 0.000 1.108 298 E CA 0.387 56.800 56.400 0.021 0.000 0.916 298 E CB 0.666 30.384 29.700 0.030 0.000 0.989 298 E HN 0.146 nan 8.360 nan 0.000 0.432 299 T N 2.270 116.850 114.554 0.045 0.000 2.779 299 T HA 0.408 4.567 4.350 -0.318 0.000 0.280 299 T C 0.053 174.888 174.700 0.225 0.000 0.987 299 T CA -0.526 61.633 62.100 0.099 0.000 0.966 299 T CB 0.443 69.335 68.868 0.041 0.000 0.933 299 T HN 0.245 nan 8.240 nan 0.000 0.442 300 I N 2.540 123.220 120.570 0.183 0.000 2.353 300 I HA 0.436 4.415 4.170 -0.318 0.000 0.293 300 I C 1.080 177.238 176.117 0.069 0.000 0.992 300 I CA -0.604 60.769 61.300 0.121 0.000 1.268 300 I CB 1.205 39.195 38.000 -0.017 0.000 1.387 300 I HN 0.652 nan 8.210 nan 0.000 0.478 301 G N 6.875 115.554 108.800 -0.202 0.000 2.338 301 G HA2 0.594 4.363 3.960 -0.318 0.000 0.298 301 G HA3 0.594 4.363 3.960 -0.318 0.000 0.298 301 G C -0.899 173.463 174.900 -0.897 0.000 1.140 301 G CA -0.357 44.234 45.100 -0.849 0.000 0.860 301 G HN 0.357 nan 8.290 nan 0.000 0.470 302 L N 1.929 122.360 121.223 -1.319 0.000 2.341 302 L HA 0.508 4.657 4.340 -0.318 0.000 0.278 302 L C -0.748 175.514 176.870 -1.013 0.000 1.005 302 L CA -0.721 53.447 54.840 -1.119 0.000 0.818 302 L CB 1.990 43.235 42.059 -1.358 0.000 1.259 302 L HN 0.500 nan 8.230 nan 0.000 0.418 303 F N 2.778 122.308 119.950 -0.701 0.000 2.426 303 F HA 0.631 4.967 4.527 -0.319 0.000 0.348 303 F C -0.036 175.689 175.800 -0.126 0.000 1.124 303 F CA -0.357 57.471 58.000 -0.287 0.000 1.008 303 F CB 1.658 40.573 39.000 -0.142 0.000 1.139 303 F HN 0.365 nan 8.300 nan 0.000 0.452 304 S N 6.342 121.562 115.700 -0.799 0.000 2.473 304 S HA 0.555 4.834 4.470 -0.318 0.000 0.307 304 S C -1.757 172.389 174.600 -0.757 0.000 1.094 304 S CA -0.316 57.560 58.200 -0.539 0.000 1.070 304 S CB 0.540 63.685 63.200 -0.092 0.000 1.019 304 S HN 0.624 nan 8.310 nan 0.000 0.480 305 Y N 2.608 122.501 120.300 -0.678 0.000 2.462 305 Y HA 0.696 5.054 4.550 -0.320 0.000 0.346 305 Y C -0.132 175.562 175.900 -0.343 0.000 0.976 305 Y CA -0.539 57.237 58.100 -0.540 0.000 1.044 305 Y CB 1.955 40.158 38.460 -0.429 0.000 1.230 305 Y HN 0.782 nan 8.280 nan 0.000 0.455 306 G N 2.750 110.940 108.800 -1.017 0.000 2.732 306 G HA2 0.422 4.191 3.960 -0.318 0.000 0.295 306 G HA3 0.422 4.191 3.960 -0.318 0.000 0.295 306 G C -1.289 172.953 174.900 -1.097 0.000 1.456 306 G CA -0.814 43.789 45.100 -0.830 0.000 1.050 306 G HN 0.685 nan 8.290 nan 0.000 0.525 307 S N -0.250 115.030 115.700 -0.700 0.000 2.571 307 S HA 0.360 4.639 4.470 -0.318 0.000 0.298 307 S C 1.577 176.073 174.600 -0.174 0.000 1.280 307 S CA 1.783 59.831 58.200 -0.253 0.000 1.052 307 S CB 0.723 63.880 63.200 -0.071 0.000 0.799 307 S HN 2.102 nan 8.310 nan 0.000 0.501 308 G N 1.415 110.167 108.800 -0.080 0.000 2.380 308 G HA2 -0.160 3.609 3.960 -0.318 0.000 0.197 308 G HA3 -0.160 3.609 3.960 -0.318 0.000 0.197 308 G C -0.019 174.729 174.900 -0.253 0.000 1.001 308 G CA 0.118 45.113 45.100 -0.175 0.000 0.668 308 G HN 1.450 nan 8.290 nan 0.000 0.483 309 S N -0.924 114.654 115.700 -0.204 0.000 2.595 309 S HA 0.877 5.156 4.470 -0.318 0.000 0.281 309 S C -0.951 173.461 174.600 -0.313 0.000 1.117 309 S CA -0.211 57.844 58.200 -0.242 0.000 0.873 309 S CB 3.154 66.328 63.200 -0.043 0.000 1.108 309 S HN 1.284 nan 8.310 nan 0.000 0.477 310 V N 0.573 120.190 119.914 -0.495 0.000 2.888 310 V HA 0.957 4.886 4.120 -0.318 0.000 0.309 310 V C -0.039 175.698 176.094 -0.595 0.000 1.114 310 V CA -0.313 61.648 62.300 -0.564 0.000 0.940 310 V CB 0.940 32.237 31.823 -0.876 0.000 1.021 310 V HN 1.359 nan 8.190 nan 0.000 0.426 311 V N 2.185 121.956 119.914 -0.238 0.000 3.130 311 V HA 1.039 4.968 4.120 -0.318 0.000 0.310 311 V C -0.801 175.385 176.094 0.154 0.000 1.158 311 V CA -0.956 61.370 62.300 0.045 0.000 1.029 311 V CB 2.239 nan 31.823 nan 0.000 1.057 311 V HN 0.961 nan 8.190 nan 0.000 0.436 312 E N 1.630 121.984 120.200 0.256 0.000 2.354 312 E HA 0.653 4.812 4.350 -0.318 0.000 0.283 312 E C -2.484 174.405 176.600 0.482 0.000 0.938 312 E CA -0.424 56.212 56.400 0.395 0.000 0.777 312 E CB 2.380 32.348 29.700 0.447 0.000 1.222 312 E HN 0.723 nan 8.360 nan 0.000 0.423 313 F N 5.261 125.410 119.950 0.331 0.000 2.493 313 F HA 0.583 4.919 4.527 -0.318 0.000 0.329 313 F C -1.416 174.444 175.800 0.100 0.000 1.126 313 F CA -0.263 57.818 58.000 0.136 0.000 0.937 313 F CB 0.928 39.951 39.000 0.038 0.000 1.146 313 F HN 0.492 nan 8.300 nan 0.000 0.442 314 Y N 1.864 121.844 120.300 -0.535 0.000 2.677 314 Y HA 0.802 5.161 4.550 -0.319 0.000 0.334 314 Y C -1.158 174.449 175.900 -0.488 0.000 1.154 314 Y CA -1.215 56.722 58.100 -0.271 0.000 1.070 314 Y CB 1.020 39.447 38.460 -0.055 0.000 1.294 314 Y HN 0.506 nan 8.280 nan 0.000 0.475 315 S N 1.069 116.861 115.700 0.153 0.000 2.634 315 S HA 0.992 5.271 4.470 -0.318 0.000 0.296 315 S C -1.096 173.662 174.600 0.264 0.000 1.104 315 S CA -0.263 58.028 58.200 0.151 0.000 0.920 315 S CB 1.749 65.236 63.200 0.477 0.000 1.111 315 S HN 1.760 nan 8.310 nan 0.000 0.493 316 A N 0.870 123.800 122.820 0.182 0.000 2.547 316 A HA 0.741 4.870 4.320 -0.318 0.000 0.297 316 A C -0.716 176.922 177.584 0.090 0.000 1.056 316 A CA -0.730 51.394 52.037 0.145 0.000 0.688 316 A CB 1.523 20.616 19.000 0.155 0.000 1.282 316 A HN 0.804 nan 8.150 nan 0.000 0.400 317 T N 2.556 117.143 114.554 0.056 0.000 2.792 317 T HA 0.509 4.668 4.350 -0.318 0.000 0.280 317 T C -0.089 174.599 174.700 -0.020 0.000 0.990 317 T CA -0.238 61.877 62.100 0.024 0.000 0.960 317 T CB 0.598 69.488 68.868 0.036 0.000 0.939 317 T HN 0.498 nan 8.240 nan 0.000 0.439 318 L N 3.188 124.369 121.223 -0.071 0.000 2.453 318 L HA 0.290 4.438 4.340 -0.318 0.000 0.272 318 L C 0.238 177.078 176.870 -0.049 0.000 1.182 318 L CA -0.352 54.388 54.840 -0.166 0.000 0.858 318 L CB 0.437 42.315 42.059 -0.302 0.000 1.120 318 L HN 0.325 nan 8.230 nan 0.000 0.474 319 V N 2.349 122.261 119.914 -0.003 0.000 2.617 319 V HA 0.144 4.073 4.120 -0.318 0.000 0.298 319 V C 0.205 176.415 176.094 0.194 0.000 1.048 319 V CA -0.698 61.652 62.300 0.083 0.000 0.964 319 V CB 1.744 33.602 31.823 0.057 0.000 1.004 319 V HN 0.706 nan 8.190 nan 0.000 0.466 320 E N 2.357 122.646 120.200 0.148 0.000 2.384 320 E HA 0.398 4.557 4.350 -0.318 0.000 0.266 320 E C 1.066 177.767 176.600 0.168 0.000 1.012 320 E CA 1.184 57.683 56.400 0.164 0.000 0.901 320 E CB 0.514 30.276 29.700 0.104 0.000 0.967 320 E HN 0.980 nan 8.360 nan 0.000 0.435 321 G N 3.435 112.325 108.800 0.150 0.000 2.159 321 G HA2 -0.402 3.367 3.960 -0.318 0.000 0.256 321 G HA3 -0.402 3.367 3.960 -0.318 0.000 0.256 321 G C 0.631 175.632 174.900 0.170 0.000 0.977 321 G CA 0.750 45.918 45.100 0.113 0.000 0.652 321 G HN 0.799 nan 8.290 nan 0.000 0.531 322 Y N 0.313 120.702 120.300 0.148 0.000 2.193 322 Y HA -0.026 4.332 4.550 -0.321 0.000 0.285 322 Y C 2.414 178.432 175.900 0.196 0.000 1.166 322 Y CA 1.727 59.932 58.100 0.176 0.000 1.181 322 Y CB -0.393 38.129 38.460 0.103 0.000 0.976 322 Y HN 0.152 nan 8.280 nan 0.000 0.520 323 K N 0.734 120.652 120.400 -0.803 0.000 2.228 323 K HA -0.181 3.948 4.320 -0.318 0.000 0.205 323 K C 1.085 177.574 176.600 -0.185 0.000 1.045 323 K CA 1.567 57.531 56.287 -0.539 0.000 0.931 323 K CB -0.509 31.684 32.500 -0.512 0.000 0.727 323 K HN 0.586 nan 8.250 nan 0.000 0.458 324 D N -0.661 119.667 120.400 -0.122 0.000 2.347 324 D HA -0.053 4.396 4.640 -0.318 0.000 0.213 324 D C 0.936 177.000 176.300 -0.395 0.000 0.985 324 D CA 0.646 54.504 54.000 -0.236 0.000 0.879 324 D CB 0.062 40.685 40.800 -0.295 0.000 0.919 324 D HN 0.396 nan 8.370 nan 0.000 0.526 325 H N -0.400 118.683 119.070 0.021 0.000 2.505 325 H HA 0.291 4.656 4.556 -0.319 0.000 0.286 325 H C 0.311 175.698 175.328 0.099 0.000 1.072 325 H CA -0.017 56.070 56.048 0.064 0.000 1.141 325 H CB 1.185 31.000 29.762 0.088 0.000 1.550 325 H HN 0.029 nan 8.280 nan 0.000 0.547 326 L N 0.549 121.856 121.223 0.139 0.000 2.301 326 L HA 0.353 4.502 4.340 -0.318 0.000 0.264 326 L C -0.515 176.383 176.870 0.047 0.000 1.016 326 L CA -0.990 53.951 54.840 0.168 0.000 0.821 326 L CB 1.942 44.138 42.059 0.228 0.000 1.346 326 L HN -0.091 nan 8.230 nan 0.000 0.429 327 D N 0.228 120.612 120.400 -0.026 0.000 2.517 327 D HA 0.116 4.565 4.640 -0.318 0.000 0.301 327 D C 0.544 176.688 176.300 -0.260 0.000 1.202 327 D CA -0.259 53.608 54.000 -0.222 0.000 0.910 327 D CB 1.359 41.913 40.800 -0.410 0.000 1.021 327 D HN 0.440 nan 8.370 nan 0.000 0.499 328 Q N 1.252 121.042 119.800 -0.017 0.000 2.050 328 Q HA -0.207 3.942 4.340 -0.318 0.000 0.202 328 Q C 1.833 177.841 176.000 0.014 0.000 0.980 328 Q CA 1.564 57.429 55.803 0.103 0.000 0.840 328 Q CB 0.155 28.970 28.738 0.129 0.000 0.898 328 Q HN 0.451 nan 8.270 nan 0.000 0.424 329 A N 0.622 123.415 122.820 -0.045 0.000 1.940 329 A HA -0.146 3.983 4.320 -0.318 0.000 0.219 329 A C 2.216 179.740 177.584 -0.100 0.000 1.176 329 A CA 1.747 53.750 52.037 -0.056 0.000 0.631 329 A CB -0.796 18.169 19.000 -0.057 0.000 0.814 329 A HN 0.543 nan 8.150 nan 0.000 0.446 330 A N -0.696 122.016 122.820 -0.181 0.000 1.898 330 A HA -0.131 3.998 4.320 -0.318 0.000 0.216 330 A C 1.894 179.347 177.584 -0.219 0.000 1.181 330 A CA 1.611 53.512 52.037 -0.226 0.000 0.620 330 A CB -0.904 17.911 19.000 -0.308 0.000 0.819 330 A HN 0.751 nan 8.150 nan 0.000 0.442 331 H N -0.415 118.579 119.070 -0.128 0.000 2.428 331 H HA 0.006 4.363 4.556 -0.332 0.000 0.296 331 H C 2.042 177.210 175.328 -0.267 0.000 1.062 331 H CA 1.258 57.156 56.048 -0.250 0.000 1.350 331 H CB 0.074 29.768 29.762 -0.112 0.000 1.403 331 H HN 0.417 nan 8.280 nan 0.000 0.533 332 K N 0.727 121.089 120.400 -0.063 0.000 2.057 332 K HA -0.048 4.081 4.320 -0.318 0.000 0.206 332 K C 2.515 179.052 176.600 -0.105 0.000 1.050 332 K CA 0.859 57.091 56.287 -0.092 0.000 0.935 332 K CB -0.065 32.416 32.500 -0.032 0.000 0.715 332 K HN 0.212 nan 8.250 nan 0.000 0.439 333 A N 1.490 124.255 122.820 -0.092 0.000 1.978 333 A HA -0.162 3.967 4.320 -0.318 0.000 0.220 333 A C 2.086 179.613 177.584 -0.095 0.000 1.170 333 A CA 1.182 53.168 52.037 -0.085 0.000 0.636 333 A CB -0.440 18.513 19.000 -0.080 0.000 0.810 333 A HN 0.234 nan 8.150 nan 0.000 0.448 334 L N -0.666 120.483 121.223 -0.123 0.000 2.109 334 L HA -0.012 4.136 4.340 -0.318 0.000 0.207 334 L C 2.156 178.945 176.870 -0.136 0.000 1.086 334 L CA 1.504 56.257 54.840 -0.145 0.000 0.760 334 L CB -0.322 41.602 42.059 -0.224 0.000 0.910 334 L HN 0.391 nan 8.230 nan 0.000 0.437 335 L N -0.935 120.203 121.223 -0.141 0.000 2.084 335 L HA -0.059 4.090 4.340 -0.318 0.000 0.202 335 L C 2.233 179.030 176.870 -0.122 0.000 1.074 335 L CA 0.724 55.484 54.840 -0.135 0.000 0.757 335 L CB -0.795 41.150 42.059 -0.190 0.000 0.918 335 L HN 0.229 nan 8.230 nan 0.000 0.444 336 N N 0.644 119.267 118.700 -0.128 0.000 2.149 336 N HA -0.176 4.373 4.740 -0.318 0.000 0.188 336 N C 1.304 176.804 175.510 -0.018 0.000 1.019 336 N CA 1.239 54.238 53.050 -0.084 0.000 0.857 336 N CB -0.592 37.843 38.487 -0.086 0.000 0.997 336 N HN 0.311 nan 8.380 nan 0.000 0.426 337 N N 0.280 118.964 118.700 -0.027 0.000 2.515 337 N HA 0.034 4.583 4.740 -0.318 0.000 0.191 337 N C 0.065 175.587 175.510 0.021 0.000 1.182 337 N CA 0.149 53.195 53.050 -0.007 0.000 0.879 337 N CB 0.260 38.729 38.487 -0.030 0.000 0.984 337 N HN 0.238 nan 8.380 nan 0.000 0.453 338 R N -0.571 119.976 120.500 0.078 0.000 2.652 338 R HA 0.326 4.475 4.340 -0.318 0.000 0.271 338 R C -0.183 176.216 176.300 0.165 0.000 1.129 338 R CA 0.074 56.248 56.100 0.125 0.000 1.200 338 R CB 0.510 30.968 30.300 0.263 0.000 1.146 338 R HN -0.055 nan 8.270 nan 0.000 0.581 339 T N 0.948 115.557 114.554 0.093 0.000 2.786 339 T HA 0.114 4.273 4.350 -0.318 0.000 0.283 339 T C -0.491 174.074 174.700 -0.225 0.000 0.992 339 T CA -0.659 61.474 62.100 0.054 0.000 0.954 339 T CB 1.328 70.318 68.868 0.203 0.000 0.934 339 T HN 0.424 nan 8.240 nan 0.000 0.440 340 E N 2.572 122.490 120.200 -0.470 0.000 2.384 340 E HA 0.322 4.481 4.350 -0.318 0.000 0.266 340 E C -0.209 176.206 176.600 -0.309 0.000 1.012 340 E CA -0.429 55.524 56.400 -0.745 0.000 0.901 340 E CB 0.604 30.081 29.700 -0.371 0.000 0.967 340 E HN 0.508 nan 8.360 nan 0.000 0.435 341 V N 1.186 120.945 119.914 -0.258 0.000 2.864 341 V HA 0.567 4.496 4.120 -0.318 0.000 0.314 341 V C 0.133 176.219 176.094 -0.015 0.000 1.073 341 V CA -0.576 61.671 62.300 -0.089 0.000 0.956 341 V CB 1.457 33.258 31.823 -0.037 0.000 1.023 341 V HN 0.780 nan 8.190 nan 0.000 0.435 342 S N 2.170 117.883 115.700 0.021 0.000 2.626 342 S HA 0.302 4.581 4.470 -0.318 0.000 0.257 342 S C 1.066 175.725 174.600 0.099 0.000 1.288 342 S CA 0.243 58.466 58.200 0.039 0.000 0.980 342 S CB 1.105 64.322 63.200 0.027 0.000 0.975 342 S HN 1.005 nan 8.310 nan 0.000 0.577 343 V N 1.172 121.145 119.914 0.099 0.000 2.307 343 V HA -0.116 3.813 4.120 -0.318 0.000 0.245 343 V C 2.329 178.550 176.094 0.212 0.000 1.045 343 V CA 2.071 64.479 62.300 0.180 0.000 1.024 343 V CB -1.106 30.787 31.823 0.117 0.000 0.651 343 V HN 0.809 nan 8.190 nan 0.000 0.449 344 D N 0.657 121.117 120.400 0.100 0.000 2.116 344 D HA -0.179 4.270 4.640 -0.318 0.000 0.193 344 D C 2.234 178.550 176.300 0.028 0.000 0.998 344 D CA 1.835 55.863 54.000 0.047 0.000 0.836 344 D CB -0.335 40.471 40.800 0.010 0.000 0.951 344 D HN 0.442 nan 8.370 nan 0.000 0.449 345 A N 0.540 123.386 122.820 0.044 0.000 1.858 345 A HA -0.228 3.901 4.320 -0.318 0.000 0.216 345 A C 2.230 179.925 177.584 0.185 0.000 1.190 345 A CA 1.728 53.776 52.037 0.017 0.000 0.617 345 A CB -1.339 17.678 19.000 0.028 0.000 0.827 345 A HN 0.406 nan 8.150 nan 0.000 0.443 346 Y N 1.034 121.438 120.300 0.173 0.000 2.102 346 Y HA -0.296 4.065 4.550 -0.315 0.000 0.280 346 Y C 2.059 178.096 175.900 0.229 0.000 1.178 346 Y CA 2.437 60.677 58.100 0.233 0.000 1.146 346 Y CB -0.497 38.032 38.460 0.115 0.000 0.968 346 Y HN 0.489 nan 8.280 nan 0.000 0.504 347 E N -0.367 119.652 120.200 -0.302 0.000 2.077 347 E HA -0.171 3.988 4.350 -0.318 0.000 0.193 347 E C 2.152 178.682 176.600 -0.115 0.000 0.989 347 E CA 1.763 57.949 56.400 -0.356 0.000 0.800 347 E CB -0.283 29.314 29.700 -0.171 0.000 0.746 347 E HN 0.521 nan 8.360 nan 0.000 0.452 348 T N 0.897 115.392 114.554 -0.097 0.000 2.635 348 T HA -0.198 3.961 4.350 -0.318 0.000 0.267 348 T C 1.548 176.194 174.700 -0.089 0.000 1.040 348 T CA 1.353 63.374 62.100 -0.131 0.000 1.156 348 T CB -0.497 68.223 68.868 -0.246 0.000 0.863 348 T HN 0.144 nan 8.240 nan 0.000 0.430 349 F N -0.004 119.937 119.950 -0.016 0.000 2.126 349 F HA -0.080 4.264 4.527 -0.306 0.000 0.299 349 F C 2.068 177.912 175.800 0.073 0.000 1.096 349 F CA 1.102 59.122 58.000 0.032 0.000 1.255 349 F CB -0.417 38.610 39.000 0.044 0.000 0.997 349 F HN 0.092 nan 8.300 nan 0.000 0.479 350 F N 1.201 121.171 119.950 0.033 0.000 2.102 350 F HA -0.198 4.135 4.527 -0.323 0.000 0.298 350 F C 2.227 178.078 175.800 0.086 0.000 1.105 350 F CA 1.725 59.720 58.000 -0.008 0.000 1.239 350 F CB -0.386 38.467 39.000 -0.245 0.000 0.991 350 F HN -0.221 nan 8.300 nan 0.000 0.474 351 K N -0.311 120.200 120.400 0.185 0.000 2.097 351 K HA -0.126 4.003 4.320 -0.318 0.000 0.205 351 K C 2.185 178.811 176.600 0.043 0.000 1.050 351 K CA 1.284 57.636 56.287 0.108 0.000 0.938 351 K CB -0.198 32.349 32.500 0.078 0.000 0.718 351 K HN 0.251 nan 8.250 nan 0.000 0.442 352 R N 0.192 120.718 120.500 0.045 0.000 2.070 352 R HA -0.113 4.036 4.340 -0.318 0.000 0.233 352 R C 2.223 178.520 176.300 -0.004 0.000 1.137 352 R CA 1.530 57.634 56.100 0.008 0.000 0.945 352 R CB -0.513 29.793 30.300 0.010 0.000 0.845 352 R HN 0.141 nan 8.270 nan 0.000 0.430 353 F N 2.414 122.320 119.950 -0.074 0.000 2.115 353 F HA -0.309 4.030 4.527 -0.313 0.000 0.300 353 F C 1.783 177.485 175.800 -0.162 0.000 1.092 353 F CA 1.754 59.683 58.000 -0.119 0.000 1.245 353 F CB -0.083 38.851 39.000 -0.109 0.000 0.995 353 F HN 0.018 nan 8.300 nan 0.000 0.481 354 D N 0.175 120.562 120.400 -0.021 0.000 2.123 354 D HA -0.177 4.272 4.640 -0.318 0.000 0.196 354 D C 1.608 177.823 176.300 -0.141 0.000 0.992 354 D CA 1.726 55.682 54.000 -0.073 0.000 0.833 354 D CB -0.426 40.358 40.800 -0.027 0.000 0.954 354 D HN 0.424 nan 8.370 nan 0.000 0.455 355 D N -0.245 120.077 120.400 -0.129 0.000 2.350 355 D HA 0.013 4.462 4.640 -0.318 0.000 0.213 355 D C 0.587 176.767 176.300 -0.200 0.000 1.031 355 D CA 0.075 53.997 54.000 -0.131 0.000 0.861 355 D CB 1.052 41.805 40.800 -0.078 0.000 0.926 355 D HN -0.100 nan 8.370 nan 0.000 0.520 356 V N 1.496 121.217 119.914 -0.321 0.000 5.961 356 V HA -0.269 3.660 4.120 -0.318 0.000 0.311 356 V C -0.167 175.624 176.094 -0.506 0.000 0.552 356 V CA 0.625 62.626 62.300 -0.499 0.000 0.641 356 V CB -2.357 29.211 31.823 -0.425 0.000 0.286 356 V HN 0.345 nan 8.190 nan 0.000 0.939 357 E N 0.430 120.427 120.200 -0.340 0.000 2.044 357 E HA 0.550 4.709 4.350 -0.318 0.000 0.282 357 E C -0.183 176.301 176.600 -0.193 0.000 1.031 357 E CA -0.696 55.599 56.400 -0.176 0.000 0.824 357 E CB 0.599 30.256 29.700 -0.072 0.000 1.076 357 E HN 0.498 nan 8.360 nan 0.000 0.395 358 F N 2.122 122.074 119.950 0.003 0.000 2.496 358 F HA 0.124 4.460 4.527 -0.319 0.000 0.344 358 F C 0.952 176.766 175.800 0.023 0.000 1.155 358 F CA 0.276 58.291 58.000 0.024 0.000 1.302 358 F CB 0.564 39.577 39.000 0.021 0.000 1.159 358 F HN 0.383 nan 8.300 nan 0.000 0.595 359 D N 1.527 122.063 120.400 0.227 0.000 2.333 359 D HA 0.072 4.521 4.640 -0.318 0.000 0.225 359 D C 0.179 176.562 176.300 0.137 0.000 1.345 359 D CA -0.247 53.833 54.000 0.134 0.000 0.971 359 D CB 0.548 41.385 40.800 0.061 0.000 1.451 359 D HN 0.655 nan 8.370 nan 0.000 0.561 360 E N 1.382 121.655 120.200 0.121 0.000 2.204 360 E HA -0.172 3.987 4.350 -0.318 0.000 0.195 360 E C 0.834 177.479 176.600 0.075 0.000 0.990 360 E CA 1.176 57.632 56.400 0.093 0.000 0.821 360 E CB 0.529 30.270 29.700 0.068 0.000 0.750 360 E HN 0.597 nan 8.360 nan 0.000 0.477 361 E N 0.811 121.051 120.200 0.066 0.000 2.051 361 E HA -0.175 3.984 4.350 -0.318 0.000 0.189 361 E C 2.109 178.757 176.600 0.079 0.000 0.979 361 E CA 0.630 57.066 56.400 0.061 0.000 0.803 361 E CB -0.062 29.661 29.700 0.039 0.000 0.761 361 E HN 0.164 nan 8.360 nan 0.000 0.451 362 Q N 0.907 120.746 119.800 0.066 0.000 2.084 362 Q HA -0.199 3.950 4.340 -0.318 0.000 0.202 362 Q C 0.931 177.082 176.000 0.252 0.000 0.978 362 Q CA 1.509 57.352 55.803 0.067 0.000 0.844 362 Q CB 0.136 28.828 28.738 -0.076 0.000 0.898 362 Q HN 0.144 nan 8.270 nan 0.000 0.426 363 D N -0.214 120.345 120.400 0.266 0.000 2.363 363 D HA 0.086 4.535 4.640 -0.318 0.000 0.226 363 D C 0.136 176.572 176.300 0.227 0.000 1.020 363 D CA 0.861 55.068 54.000 0.345 0.000 0.892 363 D CB 0.058 41.007 40.800 0.248 0.000 0.900 363 D HN 0.373 nan 8.370 nan 0.000 0.531 364 A N 0.392 123.315 122.820 0.172 0.000 2.466 364 A HA -0.214 3.915 4.320 -0.318 0.000 0.295 364 A C 1.765 179.343 177.584 -0.011 0.000 1.465 364 A CA 0.777 52.878 52.037 0.108 0.000 0.744 364 A CB -2.085 17.017 19.000 0.169 0.000 1.098 364 A HN 0.372 nan 8.150 nan 0.000 0.402 365 V N -2.407 117.454 119.914 -0.088 0.000 2.759 365 V HA -0.203 3.726 4.120 -0.318 0.000 0.256 365 V C 1.980 177.970 176.094 -0.173 0.000 1.080 365 V CA 2.614 64.713 62.300 -0.336 0.000 1.101 365 V CB -0.809 30.719 31.823 -0.491 0.000 0.698 365 V HN 0.939 nan 8.190 nan 0.000 0.477 366 H N 1.684 120.688 119.070 -0.109 0.000 2.457 366 H HA -0.090 4.276 4.556 -0.316 0.000 0.297 366 H C 2.079 177.379 175.328 -0.048 0.000 1.092 366 H CA 2.214 58.230 56.048 -0.054 0.000 1.309 366 H CB -0.262 29.491 29.762 -0.015 0.000 1.382 366 H HN 0.661 nan 8.280 nan 0.000 0.535 367 E N -0.531 119.592 120.200 -0.129 0.000 2.268 367 E HA -0.093 4.066 4.350 -0.318 0.000 0.195 367 E C 0.515 177.060 176.600 -0.092 0.000 0.995 367 E CA 0.891 57.206 56.400 -0.142 0.000 0.836 367 E CB 0.207 29.854 29.700 -0.089 0.000 0.763 367 E HN 0.532 nan 8.360 nan 0.000 0.491 368 D N 0.194 120.528 120.400 -0.110 0.000 2.395 368 D HA 0.075 4.524 4.640 -0.318 0.000 0.226 368 D C 1.058 177.391 176.300 0.055 0.000 1.146 368 D CA 0.002 53.977 54.000 -0.041 0.000 0.830 368 D CB 0.130 40.822 40.800 -0.180 0.000 0.958 368 D HN 0.025 nan 8.370 nan 0.000 0.501 369 R N -0.121 120.386 120.500 0.011 0.000 2.170 369 R HA -0.117 4.032 4.340 -0.318 0.000 0.242 369 R C 1.243 177.559 176.300 0.027 0.000 1.145 369 R CA 1.001 57.123 56.100 0.037 0.000 0.984 369 R CB -0.016 30.255 30.300 -0.047 0.000 0.869 369 R HN 0.357 nan 8.270 nan 0.000 0.455 370 H N -0.560 118.588 119.070 0.129 0.000 2.539 370 H HA 0.142 4.507 4.556 -0.319 0.000 0.269 370 H C 0.623 175.983 175.328 0.054 0.000 0.980 370 H CA 0.412 56.502 56.048 0.068 0.000 1.152 370 H CB 0.173 29.950 29.762 0.026 0.000 1.407 370 H HN 0.237 nan 8.280 nan 0.000 0.564 371 I N -3.571 117.125 120.570 0.209 0.000 3.002 371 I HA 0.373 4.352 4.170 -0.318 0.000 0.310 371 I C -0.624 175.609 176.117 0.193 0.000 1.087 371 I CA -1.240 60.151 61.300 0.152 0.000 1.017 371 I CB 1.656 39.744 38.000 0.146 0.000 1.226 371 I HN -0.358 nan 8.210 nan 0.000 0.443 372 F N 2.702 122.723 119.950 0.118 0.000 2.459 372 F HA 0.422 4.756 4.527 -0.322 0.000 0.346 372 F C -0.086 175.909 175.800 0.325 0.000 1.128 372 F CA 0.519 58.613 58.000 0.157 0.000 1.268 372 F CB 0.676 39.683 39.000 0.011 0.000 1.161 372 F HN 0.514 nan 8.300 nan 0.000 0.583 373 Y N 1.087 121.685 120.300 0.497 0.000 2.609 373 Y HA 0.582 4.941 4.550 -0.318 0.000 0.336 373 Y C -1.804 174.334 175.900 0.397 0.000 1.129 373 Y CA -2.156 56.176 58.100 0.387 0.000 1.040 373 Y CB 0.533 39.123 38.460 0.216 0.000 1.310 373 Y HN 0.449 nan 8.280 nan 0.000 0.460 374 L N 3.124 124.656 121.223 0.516 0.000 2.369 374 L HA 0.425 4.574 4.340 -0.318 0.000 0.279 374 L C 0.669 177.730 176.870 0.317 0.000 1.108 374 L CA 1.001 55.922 54.840 0.135 0.000 0.852 374 L CB 0.768 42.938 42.059 0.184 0.000 1.169 374 L HN 0.890 nan 8.230 nan 0.000 0.452 375 S N 2.621 118.342 115.700 0.035 0.000 2.497 375 S HA 0.333 4.612 4.470 -0.318 0.000 0.218 375 S C 0.513 174.924 174.600 -0.315 0.000 1.023 375 S CA -0.132 58.103 58.200 0.060 0.000 0.913 375 S CB -0.131 63.029 63.200 -0.067 0.000 0.800 375 S HN 0.698 nan 8.310 nan 0.000 0.505 376 N N -0.594 117.829 118.700 -0.462 0.000 3.265 376 N HA 0.397 4.946 4.740 -0.318 0.000 0.235 376 N C -2.375 172.926 175.510 -0.349 0.000 1.343 376 N CA -0.495 52.081 53.050 -0.790 0.000 0.904 376 N CB 0.864 39.065 38.487 -0.477 0.000 1.492 376 N HN 0.183 nan 8.380 nan 0.000 0.504 377 I N 1.019 121.462 120.570 -0.212 0.000 2.404 377 I HA 0.439 4.418 4.170 -0.318 0.000 0.293 377 I C -0.376 175.708 176.117 -0.054 0.000 0.992 377 I CA -0.475 60.813 61.300 -0.019 0.000 1.149 377 I CB 1.805 39.882 38.000 0.128 0.000 1.315 377 I HN 0.364 nan 8.210 nan 0.000 0.446 378 E N 5.349 125.522 120.200 -0.045 0.000 2.287 378 E HA 0.290 4.449 4.350 -0.318 0.000 0.274 378 E C -0.934 175.655 176.600 -0.018 0.000 0.896 378 E CA -0.581 55.796 56.400 -0.038 0.000 0.788 378 E CB 1.342 31.007 29.700 -0.059 0.000 1.244 378 E HN 0.693 nan 8.360 nan 0.000 0.408 379 N N 3.793 122.488 118.700 -0.009 0.000 2.740 379 N HA -0.229 4.320 4.740 -0.318 0.000 0.248 379 N C -0.669 174.843 175.510 0.004 0.000 1.062 379 N CA 0.649 53.698 53.050 -0.003 0.000 0.704 379 N CB -0.804 37.680 38.487 -0.004 0.000 0.968 379 N HN 0.691 nan 8.380 nan 0.000 0.547 380 N N -3.197 115.508 118.700 0.007 0.000 2.741 380 N HA -0.177 4.372 4.740 -0.318 0.000 0.251 380 N C -1.034 174.486 175.510 0.018 0.000 1.112 380 N CA 1.250 54.308 53.050 0.014 0.000 0.750 380 N CB -1.076 37.419 38.487 0.013 0.000 1.119 380 N HN 0.251 nan 8.380 nan 0.000 0.561 381 V N 1.315 121.236 119.914 0.012 0.000 2.409 381 V HA 0.279 4.208 4.120 -0.318 0.000 0.291 381 V C 0.823 176.918 176.094 0.001 0.000 1.020 381 V CA -0.782 61.530 62.300 0.019 0.000 0.848 381 V CB 1.986 33.819 31.823 0.017 0.000 0.990 381 V HN 0.056 nan 8.190 nan 0.000 0.430 382 R N 3.316 123.825 120.500 0.016 0.000 2.522 382 R HA 0.268 4.417 4.340 -0.318 0.000 0.284 382 R C -0.236 175.974 176.300 -0.151 0.000 1.032 382 R CA -0.008 56.044 56.100 -0.080 0.000 1.049 382 R CB 0.874 31.162 30.300 -0.021 0.000 0.956 382 R HN 0.690 nan 8.270 nan 0.000 0.422 383 E N 2.038 122.068 120.200 -0.284 0.000 2.191 383 E HA 0.271 4.430 4.350 -0.318 0.000 0.274 383 E C -1.162 175.164 176.600 -0.456 0.000 0.948 383 E CA -0.548 55.717 56.400 -0.225 0.000 0.802 383 E CB 1.337 30.951 29.700 -0.143 0.000 1.137 383 E HN 0.368 nan 8.360 nan 0.000 0.397 384 Y N 0.045 120.350 120.300 0.008 0.000 2.446 384 Y HA 0.213 4.571 4.550 -0.320 0.000 0.345 384 Y C -0.160 175.691 175.900 -0.082 0.000 0.984 384 Y CA -0.974 57.135 58.100 0.014 0.000 1.058 384 Y CB 1.438 39.964 38.460 0.110 0.000 1.220 384 Y HN 0.590 nan 8.280 nan 0.000 0.455 385 H N 3.282 122.194 119.070 -0.263 0.000 2.580 385 H HA 0.442 4.806 4.556 -0.319 0.000 0.322 385 H C -0.460 174.687 175.328 -0.300 0.000 1.082 385 H CA -0.769 55.009 56.048 -0.450 0.000 1.383 385 H CB 0.661 29.728 29.762 -1.158 0.000 1.450 385 H HN 0.531 nan 8.280 nan 0.000 0.505 386 R N 4.652 124.663 120.500 -0.815 0.000 2.528 386 R HA 0.252 4.401 4.340 -0.318 0.000 0.271 386 R C -2.586 173.037 176.300 -1.127 0.000 1.056 386 R CA -2.140 53.395 56.100 -0.942 0.000 1.117 386 R CB -0.001 29.961 30.300 -0.564 0.000 1.085 386 R HN 0.619 nan 8.270 nan 0.000 0.530 387 P HA -0.034 nan 4.420 nan 0.000 0.267 387 P C -0.067 177.017 177.300 -0.360 0.000 1.205 387 P CA 0.086 62.906 63.100 -0.467 0.000 0.765 387 P CB 0.433 31.919 31.700 -0.356 0.000 0.828 388 E N 0.000 120.047 120.200 -0.255 0.000 2.725 388 E HA 0.000 4.159 4.350 -0.318 0.000 0.291 388 E CA 0.000 56.273 56.400 -0.213 0.000 0.976 388 E CB 0.000 29.593 29.700 -0.179 0.000 0.812 388 E HN 0.000 nan 8.360 nan 0.000 0.440