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 1yyp_1_A DATA FIRST_RESID 9 DATA SEQUENCE EPPTLALRLK PYKTAIQQLR SVIRALKENT TVTFLPTPSL ILQTVRSHCV DATA SEQUENCE SKITFNSSCL YITDKSFQPK TINNSTPLLG NFMYLTSSKD LTKFYVQDIS DATA SEQUENCE DLSAKISMCA PDFNMEFSSA CVHGQDIVRE SENSAVHVDL DFGVVADLLK DATA SEQUENCE WIGPXXXXXX XXXXXXXXTG TVQILVHAGP PAIKFILTNG SELEFTSNNR DATA SEQUENCE VSFHGVKNMR INVQLKNFYQ TLLNCAVTKL PCTLRIVTEH DTLLYVASRN DATA SEQUENCE GLFAVENFLT EEP 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.589 176.600 -0.018 0.000 1.382 9 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 9 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 10 P HA 0.316 nan 4.420 nan 0.000 0.274 10 P C -2.702 174.612 177.300 0.022 0.000 1.237 10 P CA -1.228 61.871 63.100 -0.002 0.000 0.793 10 P CB -0.017 31.682 31.700 -0.003 0.000 0.977 11 P HA 0.044 nan 4.420 nan 0.000 0.261 11 P C -0.707 176.741 177.300 0.246 0.000 1.183 11 P CA 0.639 63.825 63.100 0.144 0.000 0.761 11 P CB 0.167 31.986 31.700 0.198 0.000 0.785 12 T N 4.084 118.692 114.554 0.090 0.000 2.848 12 T HA 0.485 4.835 4.350 0.000 0.000 0.285 12 T C -0.785 173.768 174.700 -0.246 0.000 0.995 12 T CA -0.426 61.670 62.100 -0.007 0.000 0.970 12 T CB 0.898 69.706 68.868 -0.100 0.000 0.976 12 T HN 0.110 nan 8.240 nan 0.000 0.441 13 L N 3.624 124.618 121.223 -0.382 0.000 2.298 13 L HA 0.840 5.180 4.340 0.000 0.000 0.284 13 L C -0.375 176.295 176.870 -0.334 0.000 1.013 13 L CA -0.326 54.188 54.840 -0.544 0.000 0.824 13 L CB 0.418 41.922 42.059 -0.926 0.000 1.221 13 L HN 0.802 nan 8.230 nan 0.000 0.418 14 A N 5.532 128.222 122.820 -0.216 0.000 2.337 14 A HA 0.784 5.104 4.320 0.000 0.000 0.331 14 A C -1.064 176.419 177.584 -0.168 0.000 1.137 14 A CA -0.726 51.229 52.037 -0.137 0.000 0.807 14 A CB 1.009 20.018 19.000 0.015 0.000 1.250 14 A HN 0.697 nan 8.150 nan 0.000 0.468 15 L N 1.293 122.376 121.223 -0.234 0.000 2.307 15 L HA 0.439 4.780 4.340 0.000 0.000 0.282 15 L C 0.337 177.174 176.870 -0.055 0.000 1.051 15 L CA -0.425 54.276 54.840 -0.233 0.000 0.804 15 L CB 1.231 43.035 42.059 -0.425 0.000 1.197 15 L HN 0.734 nan 8.230 nan 0.000 0.431 16 R N 3.256 123.762 120.500 0.010 0.000 2.220 16 R HA 0.221 4.561 4.340 0.000 0.000 0.340 16 R C 1.002 177.363 176.300 0.101 0.000 1.076 16 R CA -0.331 55.795 56.100 0.044 0.000 0.920 16 R CB 0.828 31.161 30.300 0.054 0.000 1.062 16 R HN 0.669 nan 8.270 nan 0.000 0.469 17 L N 2.610 123.891 121.223 0.096 0.000 2.043 17 L HA -0.292 4.048 4.340 0.000 0.000 0.212 17 L C 2.509 179.465 176.870 0.145 0.000 1.075 17 L CA 1.643 56.573 54.840 0.148 0.000 0.752 17 L CB -0.422 41.711 42.059 0.123 0.000 0.891 17 L HN 0.628 nan 8.230 nan 0.000 0.432 18 K N 0.024 120.481 120.400 0.095 0.000 1.977 18 K HA -0.190 4.130 4.320 0.000 0.000 0.218 18 K C -0.286 176.373 176.600 0.099 0.000 1.051 18 K CA 2.094 58.427 56.287 0.077 0.000 0.953 18 K CB -0.951 31.579 32.500 0.050 0.000 0.727 18 K HN 0.231 nan 8.250 nan 0.000 0.445 19 P HA -0.179 nan 4.420 nan 0.000 0.217 19 P C 1.321 178.741 177.300 0.201 0.000 1.150 19 P CA 1.354 64.540 63.100 0.143 0.000 0.832 19 P CB -0.208 31.579 31.700 0.144 0.000 0.787 20 Y N 1.766 122.127 120.300 0.101 0.000 2.181 20 Y HA -0.181 4.370 4.550 0.000 0.000 0.288 20 Y C 2.361 178.312 175.900 0.085 0.000 1.146 20 Y CA 1.915 60.071 58.100 0.093 0.000 1.164 20 Y CB -0.383 38.095 38.460 0.030 0.000 0.982 20 Y HN -0.184 nan 8.280 nan 0.000 0.515 21 K N -0.798 119.646 120.400 0.072 0.000 2.097 21 K HA -0.135 4.185 4.320 0.000 0.000 0.206 21 K C 1.958 178.529 176.600 -0.048 0.000 1.049 21 K CA 1.814 58.085 56.287 -0.027 0.000 0.933 21 K CB -0.257 32.268 32.500 0.041 0.000 0.717 21 K HN 0.291 nan 8.250 nan 0.000 0.442 22 T N 1.036 115.599 114.554 0.015 0.000 2.708 22 T HA -0.152 4.198 4.350 0.000 0.000 0.266 22 T C 1.974 176.706 174.700 0.054 0.000 1.037 22 T CA 1.372 63.493 62.100 0.035 0.000 1.146 22 T CB -0.259 68.645 68.868 0.060 0.000 0.865 22 T HN 0.316 nan 8.240 nan 0.000 0.435 23 A N 2.296 125.170 122.820 0.091 0.000 1.865 23 A HA -0.074 4.246 4.320 0.000 0.000 0.217 23 A C 2.341 179.900 177.584 -0.041 0.000 1.191 23 A CA 1.782 53.930 52.037 0.184 0.000 0.623 23 A CB -0.909 18.320 19.000 0.382 0.000 0.826 23 A HN 0.706 nan 8.150 nan 0.000 0.444 24 I N -2.630 117.815 120.570 -0.209 0.000 2.454 24 I HA -0.275 3.895 4.170 0.000 0.000 0.254 24 I C 2.174 178.209 176.117 -0.136 0.000 1.156 24 I CA 1.886 63.048 61.300 -0.229 0.000 1.433 24 I CB -0.776 37.001 38.000 -0.373 0.000 1.082 24 I HN 0.362 nan 8.210 nan 0.000 0.432 25 Q N 1.117 120.861 119.800 -0.094 0.000 2.079 25 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 25 Q C 2.279 178.261 176.000 -0.031 0.000 0.974 25 Q CA 1.511 57.283 55.803 -0.052 0.000 0.840 25 Q CB -0.163 28.555 28.738 -0.033 0.000 0.898 25 Q HN 0.656 nan 8.270 nan 0.000 0.430 26 Q N 0.068 119.863 119.800 -0.008 0.000 2.224 26 Q HA -0.060 4.280 4.340 0.000 0.000 0.203 26 Q C 1.396 177.375 176.000 -0.035 0.000 0.970 26 Q CA 0.732 56.550 55.803 0.025 0.000 0.865 26 Q CB 0.201 29.035 28.738 0.159 0.000 0.922 26 Q HN 0.359 nan 8.270 nan 0.000 0.445 27 L N 0.872 122.015 121.223 -0.134 0.000 2.628 27 L HA 0.103 4.443 4.340 0.000 0.000 0.229 27 L C 2.077 178.892 176.870 -0.091 0.000 1.137 27 L CA -0.201 54.526 54.840 -0.188 0.000 0.909 27 L CB -0.118 41.719 42.059 -0.370 0.000 1.137 27 L HN 0.179 nan 8.230 nan 0.000 0.470 28 R N -0.046 120.425 120.500 -0.049 0.000 2.133 28 R HA -0.265 4.075 4.340 0.000 0.000 0.245 28 R C 2.201 178.508 176.300 0.012 0.000 1.137 28 R CA 2.099 58.200 56.100 0.002 0.000 0.947 28 R CB -1.138 29.170 30.300 0.013 0.000 0.865 28 R HN 0.254 nan 8.270 nan 0.000 0.437 29 S N 0.521 116.215 115.700 -0.010 0.000 2.353 29 S HA -0.121 4.349 4.470 0.000 0.000 0.222 29 S C 2.191 176.777 174.600 -0.023 0.000 1.035 29 S CA 1.777 59.968 58.200 -0.015 0.000 1.025 29 S CB -0.322 62.866 63.200 -0.020 0.000 0.902 29 S HN 0.316 nan 8.310 nan 0.000 0.440 30 V N 2.645 122.537 119.914 -0.037 0.000 2.255 30 V HA -0.153 3.967 4.120 0.000 0.000 0.247 30 V C 2.525 178.610 176.094 -0.016 0.000 1.051 30 V CA 1.680 63.957 62.300 -0.039 0.000 1.018 30 V CB -0.859 30.922 31.823 -0.071 0.000 0.641 30 V HN 0.468 nan 8.190 nan 0.000 0.445 31 I N 0.140 120.709 120.570 -0.001 0.000 2.163 31 I HA -0.224 3.946 4.170 0.000 0.000 0.243 31 I C 2.605 178.750 176.117 0.047 0.000 1.085 31 I CA 1.696 63.024 61.300 0.046 0.000 1.347 31 I CB -1.323 36.724 38.000 0.077 0.000 1.044 31 I HN 0.287 nan 8.210 nan 0.000 0.408 32 R N 0.434 120.945 120.500 0.019 0.000 2.152 32 R HA -0.064 4.276 4.340 0.000 0.000 0.232 32 R C 1.981 178.205 176.300 -0.126 0.000 1.117 32 R CA 1.299 57.323 56.100 -0.126 0.000 0.981 32 R CB -0.084 30.143 30.300 -0.123 0.000 0.870 32 R HN 0.373 nan 8.270 nan 0.000 0.451 33 A N 0.225 123.009 122.820 -0.060 0.000 2.251 33 A HA 0.178 4.498 4.320 0.000 0.000 0.209 33 A C 0.524 178.093 177.584 -0.025 0.000 1.187 33 A CA -0.173 51.837 52.037 -0.045 0.000 0.823 33 A CB -0.012 18.971 19.000 -0.027 0.000 0.846 33 A HN 0.134 nan 8.150 nan 0.000 0.486 34 L N -0.073 121.142 121.223 -0.013 0.000 2.461 34 L HA 0.143 4.483 4.340 0.000 0.000 0.272 34 L C 0.931 177.804 176.870 0.005 0.000 1.197 34 L CA 0.112 54.959 54.840 0.012 0.000 0.836 34 L CB 0.571 42.654 42.059 0.041 0.000 1.105 34 L HN 0.280 nan 8.230 nan 0.000 0.477 35 K N 0.783 121.192 120.400 0.015 0.000 4.224 35 K HA 0.236 4.556 4.320 0.000 0.000 0.287 35 K C 0.716 177.329 176.600 0.022 0.000 1.001 35 K CA -0.592 55.702 56.287 0.010 0.000 1.773 35 K CB 0.399 32.902 32.500 0.005 0.000 3.230 35 K HN 0.462 nan 8.250 nan 0.000 0.889 36 E N 1.113 121.324 120.200 0.019 0.000 2.489 36 E HA 0.003 4.353 4.350 0.000 0.000 0.204 36 E C -0.080 176.535 176.600 0.024 0.000 1.006 36 E CA 0.205 56.617 56.400 0.021 0.000 0.936 36 E CB 0.218 29.927 29.700 0.014 0.000 1.002 36 E HN 0.391 nan 8.360 nan 0.000 0.488 37 N N 1.245 119.960 118.700 0.025 0.000 2.455 37 N HA 0.041 4.781 4.740 0.000 0.000 0.258 37 N C -0.654 174.876 175.510 0.034 0.000 1.158 37 N CA -0.100 52.965 53.050 0.025 0.000 0.893 37 N CB 0.306 38.806 38.487 0.022 0.000 1.173 37 N HN -0.272 nan 8.380 nan 0.000 0.503 38 T N 0.100 114.679 114.554 0.043 0.000 2.886 38 T HA 0.510 4.860 4.350 0.000 0.000 0.292 38 T C -0.292 174.444 174.700 0.059 0.000 1.012 38 T CA -0.561 61.572 62.100 0.054 0.000 0.982 38 T CB 1.996 70.905 68.868 0.069 0.000 1.018 38 T HN 0.373 nan 8.240 nan 0.000 0.451 39 T N -0.723 113.862 114.554 0.052 0.000 2.912 39 T HA 0.806 5.156 4.350 0.000 0.000 0.288 39 T C -0.696 174.028 174.700 0.040 0.000 1.030 39 T CA -0.785 61.339 62.100 0.040 0.000 1.020 39 T CB 1.367 70.245 68.868 0.017 0.000 1.056 39 T HN 0.330 nan 8.240 nan 0.000 0.480 40 V N 1.860 121.778 119.914 0.006 0.000 2.487 40 V HA 0.589 4.709 4.120 0.000 0.000 0.298 40 V C -0.104 175.853 176.094 -0.228 0.000 1.028 40 V CA -0.668 61.581 62.300 -0.085 0.000 0.860 40 V CB 1.763 33.572 31.823 -0.022 0.000 0.991 40 V HN 1.150 nan 8.190 nan 0.000 0.427 41 T N 5.358 119.757 114.554 -0.259 0.000 2.792 41 T HA 0.648 4.999 4.350 0.000 0.000 0.280 41 T C -0.759 173.785 174.700 -0.259 0.000 0.990 41 T CA -0.111 61.883 62.100 -0.175 0.000 0.960 41 T CB 0.710 69.561 68.868 -0.028 0.000 0.939 41 T HN 0.321 nan 8.240 nan 0.000 0.439 42 F N 3.355 123.393 119.950 0.147 0.000 2.388 42 F HA 0.561 5.088 4.527 0.000 0.000 0.358 42 F C 0.063 175.991 175.800 0.214 0.000 1.122 42 F CA -0.969 57.124 58.000 0.154 0.000 1.056 42 F CB 0.842 39.965 39.000 0.206 0.000 1.155 42 F HN 0.186 nan 8.300 nan 0.000 0.461 43 L N 5.371 126.747 121.223 0.254 0.000 2.333 43 L HA 0.471 4.811 4.340 0.000 0.000 0.269 43 L C -1.600 175.319 176.870 0.081 0.000 1.010 43 L CA -1.923 53.040 54.840 0.204 0.000 0.818 43 L CB 2.074 44.212 42.059 0.132 0.000 1.306 43 L HN 0.312 nan 8.230 nan 0.000 0.430 44 P HA -0.040 nan 4.420 nan 0.000 0.242 44 P C 1.101 178.389 177.300 -0.020 0.000 1.197 44 P CA 0.535 63.645 63.100 0.016 0.000 0.765 44 P CB 0.068 31.858 31.700 0.150 0.000 0.936 45 T N 0.796 115.358 114.554 0.014 0.000 2.649 45 T HA -0.084 4.266 4.350 0.000 0.000 0.268 45 T C -1.127 173.569 174.700 -0.007 0.000 1.036 45 T CA 1.448 63.557 62.100 0.015 0.000 1.157 45 T CB -1.970 66.922 68.868 0.040 0.000 0.861 45 T HN 0.419 nan 8.240 nan 0.000 0.445 46 P HA 0.568 nan 4.420 nan 0.000 0.282 46 P C -0.714 176.605 177.300 0.030 0.000 1.259 46 P CA -0.194 62.885 63.100 -0.035 0.000 0.826 46 P CB 1.585 33.235 31.700 -0.083 0.000 1.064 47 S N 0.465 116.196 115.700 0.052 0.000 2.567 47 S HA 0.587 5.057 4.470 0.000 0.000 0.270 47 S C -2.020 172.661 174.600 0.135 0.000 1.152 47 S CA -0.760 57.508 58.200 0.114 0.000 0.835 47 S CB 0.641 63.907 63.200 0.110 0.000 1.115 47 S HN 0.459 nan 8.310 nan 0.000 0.459 48 L N 4.081 125.423 121.223 0.198 0.000 2.404 48 L HA 0.687 5.027 4.340 0.000 0.000 0.272 48 L C -1.709 175.315 176.870 0.256 0.000 0.980 48 L CA -0.620 54.321 54.840 0.168 0.000 0.836 48 L CB 1.062 43.216 42.059 0.159 0.000 1.238 48 L HN 0.712 nan 8.230 nan 0.000 0.408 49 I N 5.689 126.326 120.570 0.113 0.000 2.406 49 I HA 0.385 4.556 4.170 0.000 0.000 0.290 49 I C -0.718 175.452 176.117 0.089 0.000 0.999 49 I CA -0.507 60.865 61.300 0.120 0.000 1.124 49 I CB 1.846 39.894 38.000 0.080 0.000 1.289 49 I HN 0.429 nan 8.210 nan 0.000 0.441 50 L N 6.524 127.824 121.223 0.127 0.000 2.296 50 L HA 0.538 4.878 4.340 0.000 0.000 0.286 50 L C -0.437 176.483 176.870 0.083 0.000 1.023 50 L CA -0.460 54.446 54.840 0.111 0.000 0.812 50 L CB 1.583 43.728 42.059 0.144 0.000 1.223 50 L HN 0.600 nan 8.230 nan 0.000 0.421 51 Q N 2.198 122.039 119.800 0.068 0.000 2.310 51 Q HA 0.408 4.748 4.340 0.000 0.000 0.270 51 Q C -1.388 174.646 176.000 0.057 0.000 1.025 51 Q CA -0.470 55.371 55.803 0.065 0.000 0.772 51 Q CB 2.303 31.070 28.738 0.048 0.000 1.253 51 Q HN 0.582 nan 8.270 nan 0.000 0.450 52 T N 3.066 117.658 114.554 0.063 0.000 2.758 52 T HA 0.416 4.766 4.350 0.000 0.000 0.285 52 T C -0.666 174.066 174.700 0.055 0.000 0.981 52 T CA -0.363 61.770 62.100 0.054 0.000 0.965 52 T CB 1.087 69.987 68.868 0.052 0.000 0.927 52 T HN 0.368 nan 8.240 nan 0.000 0.448 53 V N 5.545 125.483 119.914 0.039 0.000 2.398 53 V HA 0.562 4.682 4.120 0.000 0.000 0.286 53 V C 0.291 176.399 176.094 0.025 0.000 1.026 53 V CA -0.757 61.561 62.300 0.030 0.000 0.868 53 V CB 1.313 33.142 31.823 0.011 0.000 0.982 53 V HN 0.736 nan 8.190 nan 0.000 0.443 54 R N 2.317 122.833 120.500 0.028 0.000 2.912 54 R HA 0.481 4.821 4.340 0.000 0.000 0.262 54 R C 0.971 177.256 176.300 -0.025 0.000 1.057 54 R CA -0.758 55.354 56.100 0.020 0.000 0.981 54 R CB 1.835 32.167 30.300 0.054 0.000 1.201 54 R HN 0.612 nan 8.270 nan 0.000 0.484 55 S N 0.438 116.088 115.700 -0.083 0.000 2.374 55 S HA -0.162 4.308 4.470 0.000 0.000 0.227 55 S C 0.706 175.039 174.600 -0.444 0.000 1.037 55 S CA 1.575 59.599 58.200 -0.294 0.000 1.024 55 S CB -0.189 62.763 63.200 -0.413 0.000 0.861 55 S HN 0.552 nan 8.310 nan 0.000 0.456 56 H N -2.095 117.014 119.070 0.065 0.000 2.567 56 H HA 0.513 5.069 4.556 0.000 0.000 0.267 56 H C -0.520 174.870 175.328 0.104 0.000 1.148 56 H CA -0.435 55.661 56.048 0.079 0.000 1.031 56 H CB 0.651 30.458 29.762 0.074 0.000 1.691 56 H HN 0.212 nan 8.280 nan 0.000 0.588 57 C N 0.901 120.300 119.300 0.164 0.000 3.006 57 C HA 0.614 5.074 4.460 0.000 0.000 0.359 57 C C -1.437 173.641 174.990 0.146 0.000 1.103 57 C CA -0.481 58.641 59.018 0.173 0.000 1.286 57 C CB 0.515 28.352 27.740 0.160 0.000 1.694 57 C HN 0.154 nan 8.230 nan 0.000 0.511 58 V N 4.629 124.667 119.914 0.205 0.000 2.525 58 V HA 0.681 4.802 4.120 0.000 0.000 0.299 58 V C -0.047 176.214 176.094 0.280 0.000 1.034 58 V CA -0.192 62.223 62.300 0.191 0.000 0.863 58 V CB 1.869 33.764 31.823 0.121 0.000 0.999 58 V HN 0.920 nan 8.190 nan 0.000 0.423 59 S N 5.144 120.953 115.700 0.181 0.000 2.454 59 S HA 0.737 5.208 4.470 0.000 0.000 0.306 59 S C -0.799 173.889 174.600 0.148 0.000 1.100 59 S CA -0.617 57.673 58.200 0.151 0.000 1.087 59 S CB 1.126 64.372 63.200 0.076 0.000 1.019 59 S HN 0.770 nan 8.310 nan 0.000 0.480 60 K N 4.704 125.203 120.400 0.164 0.000 2.443 60 K HA 0.600 4.920 4.320 0.000 0.000 0.252 60 K C -1.588 175.058 176.600 0.077 0.000 0.933 60 K CA -0.656 55.717 56.287 0.145 0.000 0.792 60 K CB 1.139 33.786 32.500 0.246 0.000 1.185 60 K HN 0.704 nan 8.250 nan 0.000 0.425 61 I N 3.206 123.794 120.570 0.031 0.000 2.418 61 I HA 0.243 4.413 4.170 0.000 0.000 0.287 61 I C -0.705 175.380 176.117 -0.053 0.000 1.008 61 I CA -0.732 60.524 61.300 -0.073 0.000 1.104 61 I CB 2.239 40.117 38.000 -0.202 0.000 1.264 61 I HN 0.536 nan 8.210 nan 0.000 0.438 62 T N 6.166 120.694 114.554 -0.044 0.000 2.786 62 T HA 0.502 4.852 4.350 0.000 0.000 0.283 62 T C -0.478 174.232 174.700 0.017 0.000 0.992 62 T CA -0.337 61.794 62.100 0.051 0.000 0.954 62 T CB 0.576 69.503 68.868 0.098 0.000 0.934 62 T HN 0.085 nan 8.240 nan 0.000 0.440 63 F N 3.902 123.957 119.950 0.174 0.000 2.404 63 F HA 0.356 4.884 4.527 0.000 0.000 0.345 63 F C 1.174 177.071 175.800 0.162 0.000 1.110 63 F CA -1.073 57.057 58.000 0.217 0.000 1.130 63 F CB 0.805 39.949 39.000 0.241 0.000 1.129 63 F HN 0.562 nan 8.300 nan 0.000 0.500 64 N N 0.056 118.932 118.700 0.292 0.000 2.379 64 N HA 0.129 4.869 4.740 0.000 0.000 0.260 64 N C 0.774 176.391 175.510 0.178 0.000 1.254 64 N CA -0.364 52.799 53.050 0.188 0.000 0.958 64 N CB 0.394 38.951 38.487 0.116 0.000 1.208 64 N HN 0.420 nan 8.380 nan 0.000 0.532 65 S N -0.870 114.901 115.700 0.119 0.000 2.407 65 S HA -0.235 4.235 4.470 0.000 0.000 0.235 65 S C 1.669 176.330 174.600 0.102 0.000 1.036 65 S CA 1.591 59.846 58.200 0.093 0.000 1.013 65 S CB -0.877 62.362 63.200 0.066 0.000 0.820 65 S HN 0.769 nan 8.310 nan 0.000 0.476 66 S N -0.600 115.165 115.700 0.109 0.000 2.507 66 S HA -0.034 4.437 4.470 0.000 0.000 0.235 66 S C 1.593 176.272 174.600 0.132 0.000 0.988 66 S CA 0.764 59.027 58.200 0.104 0.000 0.944 66 S CB -0.627 62.624 63.200 0.085 0.000 0.762 66 S HN 0.584 nan 8.310 nan 0.000 0.526 67 C N 1.166 120.571 119.300 0.176 0.000 2.799 67 C HA 0.540 5.000 4.460 0.000 0.000 0.267 67 C C 0.333 175.396 174.990 0.122 0.000 1.257 67 C CA -0.538 58.606 59.018 0.210 0.000 1.702 67 C CB -1.111 26.844 27.740 0.358 0.000 1.934 67 C HN 0.472 nan 8.230 nan 0.000 0.594 68 L N -1.172 120.108 121.223 0.094 0.000 2.303 68 L HA 0.528 4.869 4.340 0.000 0.000 0.256 68 L C -0.925 176.005 176.870 0.101 0.000 1.034 68 L CA -0.729 54.134 54.840 0.039 0.000 0.832 68 L CB 0.777 42.833 42.059 -0.006 0.000 1.403 68 L HN 0.163 nan 8.230 nan 0.000 0.419 69 Y N 1.114 121.351 120.300 -0.105 0.000 2.396 69 Y HA 0.670 5.220 4.550 0.000 0.000 0.332 69 Y C -1.323 174.490 175.900 -0.146 0.000 1.034 69 Y CA -0.727 57.313 58.100 -0.099 0.000 1.057 69 Y CB 2.035 40.444 38.460 -0.085 0.000 1.220 69 Y HN 0.533 nan 8.280 nan 0.000 0.440 70 I N 6.144 126.315 120.570 -0.665 0.000 2.498 70 I HA 0.343 4.513 4.170 0.000 0.000 0.290 70 I C 0.621 176.309 176.117 -0.716 0.000 1.032 70 I CA -0.246 60.700 61.300 -0.591 0.000 1.073 70 I CB 2.044 39.816 38.000 -0.380 0.000 1.251 70 I HN 0.876 nan 8.210 nan 0.000 0.426 71 T N 2.009 116.242 114.554 -0.536 0.000 2.684 71 T HA 0.035 4.385 4.350 0.000 0.000 0.253 71 T C 0.526 175.104 174.700 -0.203 0.000 1.057 71 T CA 0.606 62.488 62.100 -0.363 0.000 1.162 71 T CB -0.208 68.532 68.868 -0.213 0.000 0.868 71 T HN 0.553 nan 8.240 nan 0.000 0.409 72 D N 0.663 120.986 120.400 -0.128 0.000 2.308 72 D HA 0.287 4.927 4.640 0.000 0.000 0.242 72 D C 0.514 176.806 176.300 -0.014 0.000 1.059 72 D CA -0.631 53.337 54.000 -0.053 0.000 0.830 72 D CB 1.535 42.327 40.800 -0.014 0.000 1.161 72 D HN 0.037 nan 8.370 nan 0.000 0.494 73 K N 1.355 121.747 120.400 -0.014 0.000 2.555 73 K HA -0.028 4.292 4.320 0.000 0.000 0.193 73 K C 1.246 177.886 176.600 0.066 0.000 1.032 73 K CA 0.258 56.556 56.287 0.018 0.000 1.004 73 K CB 0.074 32.572 32.500 -0.003 0.000 0.804 73 K HN 0.405 nan 8.250 nan 0.000 0.496 74 S N 0.208 115.946 115.700 0.063 0.000 2.650 74 S HA 0.008 4.478 4.470 0.000 0.000 0.219 74 S C 0.374 175.021 174.600 0.078 0.000 0.960 74 S CA -0.628 57.604 58.200 0.053 0.000 0.925 74 S CB -0.718 62.495 63.200 0.021 0.000 0.775 74 S HN 0.228 nan 8.310 nan 0.000 0.525 75 F N 3.553 123.483 119.950 -0.033 0.000 2.533 75 F HA 0.244 4.771 4.527 0.000 0.000 0.378 75 F C 0.500 176.295 175.800 -0.009 0.000 1.070 75 F CA -0.461 57.520 58.000 -0.031 0.000 1.172 75 F CB 0.288 39.260 39.000 -0.046 0.000 1.085 75 F HN 0.196 nan 8.300 nan 0.000 0.552 76 Q N 8.000 127.597 119.800 -0.339 0.000 2.304 76 Q HA 0.223 4.563 4.340 0.000 0.000 0.260 76 Q C -2.178 173.709 176.000 -0.189 0.000 0.965 76 Q CA -1.892 53.798 55.803 -0.189 0.000 0.898 76 Q CB 0.374 29.006 28.738 -0.177 0.000 1.196 76 Q HN 0.450 nan 8.270 nan 0.000 0.402 77 P HA -0.101 nan 4.420 nan 0.000 0.263 77 P C -0.990 176.350 177.300 0.067 0.000 1.175 77 P CA 0.585 63.774 63.100 0.147 0.000 0.761 77 P CB 0.503 32.270 31.700 0.112 0.000 0.794 78 K N 2.222 122.729 120.400 0.179 0.000 2.397 78 K HA 0.519 4.839 4.320 0.000 0.000 0.253 78 K C -0.546 176.160 176.600 0.176 0.000 0.932 78 K CA -0.405 55.960 56.287 0.131 0.000 0.795 78 K CB 2.066 34.676 32.500 0.185 0.000 1.159 78 K HN 0.267 nan 8.250 nan 0.000 0.424 79 T N 3.430 118.014 114.554 0.050 0.000 2.848 79 T HA 0.648 4.998 4.350 0.000 0.000 0.285 79 T C -0.059 174.639 174.700 -0.003 0.000 0.995 79 T CA -0.694 61.415 62.100 0.014 0.000 0.970 79 T CB 0.850 69.707 68.868 -0.019 0.000 0.976 79 T HN 0.612 nan 8.240 nan 0.000 0.441 80 I N 0.311 120.889 120.570 0.013 0.000 3.074 80 I HA 0.670 4.840 4.170 0.000 0.000 0.310 80 I C -0.551 175.573 176.117 0.012 0.000 1.153 80 I CA -1.163 60.144 61.300 0.011 0.000 0.993 80 I CB 2.088 40.107 38.000 0.031 0.000 1.237 80 I HN 0.347 nan 8.210 nan 0.000 0.443 81 N N 2.391 121.101 118.700 0.016 0.000 2.513 81 N HA 0.084 4.824 4.740 0.000 0.000 0.274 81 N C 0.225 175.771 175.510 0.061 0.000 1.189 81 N CA 0.182 53.252 53.050 0.032 0.000 0.975 81 N CB 1.425 39.926 38.487 0.024 0.000 1.157 81 N HN 0.877 nan 8.380 nan 0.000 0.465 82 N N 0.474 119.234 118.700 0.101 0.000 2.270 82 N HA -0.102 4.638 4.740 0.000 0.000 0.181 82 N C -0.009 175.594 175.510 0.156 0.000 1.016 82 N CA 0.649 53.811 53.050 0.187 0.000 0.870 82 N CB 0.077 38.680 38.487 0.193 0.000 0.979 82 N HN 0.343 nan 8.380 nan 0.000 0.431 83 S N 0.344 116.095 115.700 0.085 0.000 2.498 83 S HA 0.132 4.602 4.470 0.000 0.000 0.314 83 S C -0.658 173.956 174.600 0.023 0.000 1.141 83 S CA -0.442 57.790 58.200 0.054 0.000 1.087 83 S CB -0.427 62.792 63.200 0.033 0.000 1.178 83 S HN 0.222 nan 8.310 nan 0.000 0.533 84 T N 7.713 122.271 114.554 0.007 0.000 2.869 84 T HA 0.216 4.566 4.350 0.000 0.000 0.295 84 T C -1.396 173.258 174.700 -0.076 0.000 0.987 84 T CA -1.128 60.927 62.100 -0.074 0.000 1.109 84 T CB 1.211 69.974 68.868 -0.175 0.000 0.932 84 T HN 0.350 nan 8.240 nan 0.000 0.518 85 P HA -0.128 nan 4.420 nan 0.000 0.219 85 P C 0.918 178.183 177.300 -0.057 0.000 1.158 85 P CA 1.392 64.460 63.100 -0.055 0.000 0.895 85 P CB 0.153 31.824 31.700 -0.047 0.000 0.792 86 L N -3.657 117.514 121.223 -0.086 0.000 2.685 86 L HA 0.156 4.497 4.340 0.000 0.000 0.235 86 L C 1.993 178.829 176.870 -0.058 0.000 1.070 86 L CA 0.087 54.892 54.840 -0.057 0.000 0.888 86 L CB -0.340 41.692 42.059 -0.045 0.000 1.203 86 L HN -0.166 nan 8.230 nan 0.000 0.499 87 L N -0.069 121.093 121.223 -0.100 0.000 2.395 87 L HA 0.235 4.575 4.340 0.000 0.000 0.218 87 L C 1.533 178.393 176.870 -0.016 0.000 1.130 87 L CA 0.617 55.415 54.840 -0.069 0.000 0.826 87 L CB -0.874 41.101 42.059 -0.140 0.000 0.941 87 L HN 0.414 nan 8.230 nan 0.000 0.451 88 G N 0.748 109.537 108.800 -0.019 0.000 2.527 88 G HA2 -0.355 3.605 3.960 0.000 0.000 0.268 88 G HA3 -0.355 3.605 3.960 0.000 0.000 0.268 88 G C 0.130 175.065 174.900 0.060 0.000 1.175 88 G CA 0.018 45.127 45.100 0.014 0.000 0.962 88 G HN 0.308 nan 8.290 nan 0.000 0.560 89 N N 1.681 120.428 118.700 0.079 0.000 2.381 89 N HA 0.108 4.848 4.740 0.000 0.000 0.288 89 N C 1.256 176.882 175.510 0.194 0.000 1.346 89 N CA 0.763 53.890 53.050 0.129 0.000 0.970 89 N CB -0.244 38.300 38.487 0.095 0.000 1.351 89 N HN 0.595 nan 8.380 nan 0.000 0.488 90 F N 5.098 125.094 119.950 0.076 0.000 2.043 90 F HA -0.237 4.290 4.527 0.000 0.000 0.297 90 F C 1.939 177.811 175.800 0.119 0.000 1.121 90 F CA 1.584 59.645 58.000 0.101 0.000 1.199 90 F CB -0.090 39.009 39.000 0.165 0.000 0.968 90 F HN 0.448 nan 8.300 nan 0.000 0.478 91 M N -0.781 118.713 119.600 -0.175 0.000 2.202 91 M HA -0.238 4.242 4.480 0.000 0.000 0.262 91 M C 2.165 178.385 176.300 -0.132 0.000 1.063 91 M CA 1.485 56.633 55.300 -0.253 0.000 1.097 91 M CB -1.791 30.821 32.600 0.019 0.000 1.382 91 M HN 0.446 nan 8.290 nan 0.000 0.413 92 Y N 0.887 121.113 120.300 -0.123 0.000 2.224 92 Y HA -0.216 4.334 4.550 0.000 0.000 0.289 92 Y C 2.241 178.067 175.900 -0.125 0.000 1.146 92 Y CA 1.437 59.479 58.100 -0.096 0.000 1.182 92 Y CB -0.434 37.994 38.460 -0.054 0.000 0.983 92 Y HN 0.130 nan 8.280 nan 0.000 0.524 93 L N 0.109 121.230 121.223 -0.170 0.000 2.083 93 L HA -0.166 4.175 4.340 0.000 0.000 0.209 93 L C 2.513 179.179 176.870 -0.339 0.000 1.083 93 L CA 2.494 57.191 54.840 -0.239 0.000 0.752 93 L CB -1.039 40.963 42.059 -0.094 0.000 0.899 93 L HN 0.475 nan 8.230 nan 0.000 0.433 94 T N -3.864 110.435 114.554 -0.425 0.000 3.113 94 T HA -0.081 4.269 4.350 0.000 0.000 0.263 94 T C 1.699 176.288 174.700 -0.185 0.000 1.143 94 T CA 0.846 62.711 62.100 -0.393 0.000 1.090 94 T CB -0.710 67.899 68.868 -0.430 0.000 0.922 94 T HN 0.508 nan 8.240 nan 0.000 0.521 95 S N 0.435 115.970 115.700 -0.274 0.000 2.575 95 S HA 0.214 4.684 4.470 0.000 0.000 0.215 95 S C 0.918 175.358 174.600 -0.267 0.000 0.966 95 S CA -0.235 57.810 58.200 -0.259 0.000 0.911 95 S CB -0.424 62.605 63.200 -0.285 0.000 0.780 95 S HN 0.456 nan 8.310 nan 0.000 0.514 96 S N 2.855 118.388 115.700 -0.278 0.000 2.525 96 S HA 0.109 4.579 4.470 0.000 0.000 0.285 96 S C 1.641 176.161 174.600 -0.133 0.000 1.283 96 S CA -0.533 57.532 58.200 -0.225 0.000 1.072 96 S CB 0.505 63.580 63.200 -0.207 0.000 0.867 96 S HN 0.557 nan 8.310 nan 0.000 0.492 97 K N 3.877 124.211 120.400 -0.111 0.000 2.281 97 K HA -0.140 4.180 4.320 0.000 0.000 0.203 97 K C 0.568 177.140 176.600 -0.045 0.000 1.046 97 K CA 1.752 57.999 56.287 -0.066 0.000 0.938 97 K CB -0.664 31.803 32.500 -0.056 0.000 0.737 97 K HN 0.574 nan 8.250 nan 0.000 0.458 98 D N 0.619 120.984 120.400 -0.058 0.000 2.323 98 D HA 0.021 4.661 4.640 0.000 0.000 0.209 98 D C 0.066 176.358 176.300 -0.013 0.000 0.973 98 D CA -0.008 53.969 54.000 -0.040 0.000 0.874 98 D CB -0.102 40.659 40.800 -0.065 0.000 0.930 98 D HN 0.074 nan 8.370 nan 0.000 0.521 99 L N 1.177 122.390 121.223 -0.017 0.000 2.601 99 L HA 0.032 4.372 4.340 0.000 0.000 0.277 99 L C 1.335 178.235 176.870 0.050 0.000 1.219 99 L CA 0.914 55.763 54.840 0.015 0.000 0.915 99 L CB 0.549 42.608 42.059 0.000 0.000 1.160 99 L HN 0.062 nan 8.230 nan 0.000 0.494 100 T N 0.752 115.349 114.554 0.071 0.000 2.975 100 T HA 0.297 4.647 4.350 0.000 0.000 0.261 100 T C 0.483 175.242 174.700 0.098 0.000 0.984 100 T CA -0.305 61.840 62.100 0.076 0.000 0.911 100 T CB 0.104 69.012 68.868 0.066 0.000 1.127 100 T HN 0.480 nan 8.240 nan 0.000 0.514 101 K N 0.169 120.645 120.400 0.128 0.000 2.569 101 K HA 0.546 4.866 4.320 0.000 0.000 0.259 101 K C -2.563 174.177 176.600 0.234 0.000 0.932 101 K CA -0.828 55.565 56.287 0.176 0.000 0.833 101 K CB 2.252 34.865 32.500 0.188 0.000 1.340 101 K HN 0.059 nan 8.250 nan 0.000 0.429 102 F N 5.475 125.444 119.950 0.031 0.000 2.607 102 F HA 0.484 5.011 4.527 0.000 0.000 0.322 102 F C -2.110 173.686 175.800 -0.006 0.000 1.176 102 F CA -0.697 57.262 58.000 -0.067 0.000 0.977 102 F CB 1.028 39.956 39.000 -0.121 0.000 1.242 102 F HN 0.484 nan 8.300 nan 0.000 0.465 103 Y N 3.723 123.948 120.300 -0.124 0.000 2.581 103 Y HA 0.835 5.385 4.550 0.000 0.000 0.337 103 Y C -2.184 173.500 175.900 -0.359 0.000 1.108 103 Y CA -1.705 56.184 58.100 -0.352 0.000 1.033 103 Y CB 1.256 39.606 38.460 -0.183 0.000 1.318 103 Y HN 0.325 nan 8.280 nan 0.000 0.459 104 V N 2.833 122.589 119.914 -0.263 0.000 2.540 104 V HA 0.492 4.612 4.120 0.000 0.000 0.302 104 V C -0.727 175.387 176.094 0.035 0.000 1.035 104 V CA -0.777 61.342 62.300 -0.302 0.000 0.873 104 V CB 1.598 32.994 31.823 -0.713 0.000 0.992 104 V HN 0.866 nan 8.190 nan 0.000 0.428 105 Q N 1.794 121.623 119.800 0.048 0.000 2.342 105 Q HA 0.428 4.768 4.340 0.000 0.000 0.267 105 Q C -1.167 174.828 176.000 -0.009 0.000 1.038 105 Q CA -0.766 55.109 55.803 0.120 0.000 0.832 105 Q CB 2.635 31.428 28.738 0.093 0.000 1.323 105 Q HN 0.744 nan 8.270 nan 0.000 0.448 106 D N 2.911 123.264 120.400 -0.078 0.000 2.499 106 D HA 0.211 4.851 4.640 0.000 0.000 0.225 106 D C 0.170 176.378 176.300 -0.153 0.000 1.124 106 D CA -0.073 53.743 54.000 -0.306 0.000 0.938 106 D CB 0.210 40.591 40.800 -0.698 0.000 1.014 106 D HN 0.546 nan 8.370 nan 0.000 0.517 107 I N 0.479 120.983 120.570 -0.110 0.000 2.556 107 I HA 0.016 4.186 4.170 0.000 0.000 0.251 107 I C 1.163 177.239 176.117 -0.069 0.000 1.105 107 I CA 0.173 61.432 61.300 -0.069 0.000 1.436 107 I CB 0.057 38.029 38.000 -0.047 0.000 1.139 107 I HN 0.227 nan 8.210 nan 0.000 0.438 108 S N 0.208 115.864 115.700 -0.074 0.000 2.600 108 S HA 0.227 4.697 4.470 0.000 0.000 0.300 108 S C 0.062 174.626 174.600 -0.061 0.000 1.087 108 S CA -0.683 57.484 58.200 -0.054 0.000 0.965 108 S CB 1.562 64.743 63.200 -0.032 0.000 1.089 108 S HN 0.124 nan 8.310 nan 0.000 0.496 109 D N 2.387 122.768 120.400 -0.031 0.000 2.347 109 D HA 0.059 4.699 4.640 0.000 0.000 0.215 109 D C 1.424 177.763 176.300 0.064 0.000 0.976 109 D CA 0.620 54.619 54.000 -0.002 0.000 0.884 109 D CB -0.089 40.719 40.800 0.013 0.000 0.915 109 D HN 0.437 nan 8.370 nan 0.000 0.526 110 L N 0.025 121.276 121.223 0.048 0.000 2.477 110 L HA 0.104 4.444 4.340 0.000 0.000 0.220 110 L C 0.706 177.586 176.870 0.017 0.000 1.106 110 L CA 0.245 55.135 54.840 0.083 0.000 0.851 110 L CB 0.053 42.153 42.059 0.068 0.000 0.994 110 L HN -0.073 nan 8.230 nan 0.000 0.462 111 S N -1.428 114.258 115.700 -0.023 0.000 2.625 111 S HA 0.813 5.283 4.470 0.000 0.000 0.271 111 S C -0.866 173.692 174.600 -0.070 0.000 1.161 111 S CA -0.689 57.488 58.200 -0.037 0.000 0.820 111 S CB 2.018 65.209 63.200 -0.016 0.000 1.137 111 S HN -0.038 nan 8.310 nan 0.000 0.470 112 A N 0.811 123.589 122.820 -0.070 0.000 2.318 112 A HA 0.768 5.088 4.320 0.000 0.000 0.324 112 A C -0.459 177.025 177.584 -0.166 0.000 1.170 112 A CA -0.755 51.211 52.037 -0.117 0.000 0.810 112 A CB 1.026 19.976 19.000 -0.084 0.000 1.198 112 A HN 0.812 nan 8.150 nan 0.000 0.484 113 K N 3.448 123.735 120.400 -0.188 0.000 2.316 113 K HA 0.592 4.912 4.320 0.000 0.000 0.267 113 K C -1.468 174.930 176.600 -0.338 0.000 1.025 113 K CA -0.250 55.905 56.287 -0.219 0.000 0.896 113 K CB 0.402 32.827 32.500 -0.124 0.000 1.124 113 K HN 0.659 nan 8.250 nan 0.000 0.451 114 I N 2.961 123.187 120.570 -0.573 0.000 2.354 114 I HA 0.175 4.345 4.170 0.000 0.000 0.292 114 I C -0.429 175.374 176.117 -0.523 0.000 0.989 114 I CA -0.450 60.479 61.300 -0.619 0.000 1.188 114 I CB 2.058 39.499 38.000 -0.931 0.000 1.342 114 I HN 0.530 nan 8.210 nan 0.000 0.457 115 S N 7.432 122.834 115.700 -0.496 0.000 2.472 115 S HA 0.711 5.181 4.470 0.000 0.000 0.303 115 S C -0.460 173.951 174.600 -0.315 0.000 1.099 115 S CA -0.693 57.186 58.200 -0.535 0.000 1.077 115 S CB 1.430 63.979 63.200 -1.085 0.000 1.031 115 S HN 0.454 nan 8.310 nan 0.000 0.487 116 M N 2.113 121.632 119.600 -0.136 0.000 2.446 116 M HA 0.514 4.994 4.480 0.000 0.000 0.294 116 M C -1.349 174.969 176.300 0.031 0.000 1.158 116 M CA -0.468 54.828 55.300 -0.007 0.000 0.899 116 M CB 2.076 34.685 32.600 0.016 0.000 1.687 116 M HN 0.565 nan 8.290 nan 0.000 0.455 117 C N 1.403 120.756 119.300 0.088 0.000 2.779 117 C HA 1.046 5.506 4.460 0.000 0.000 0.314 117 C C -0.344 174.746 174.990 0.167 0.000 1.231 117 C CA -0.500 58.594 59.018 0.125 0.000 1.652 117 C CB 1.786 29.587 27.740 0.102 0.000 2.198 117 C HN 0.970 nan 8.230 nan 0.000 0.483 118 A N 1.584 124.530 122.820 0.210 0.000 2.610 118 A HA 0.800 5.120 4.320 0.000 0.000 0.291 118 A C -2.437 175.233 177.584 0.145 0.000 1.086 118 A CA -0.852 51.276 52.037 0.151 0.000 0.677 118 A CB 0.156 19.230 19.000 0.122 0.000 1.278 118 A HN 0.476 nan 8.150 nan 0.000 0.414 119 P HA -0.216 nan 4.420 nan 0.000 0.214 119 P C 0.193 177.551 177.300 0.096 0.000 1.099 119 P CA 2.076 65.220 63.100 0.073 0.000 0.976 119 P CB 0.221 31.946 31.700 0.042 0.000 0.774 120 D N -2.568 117.906 120.400 0.123 0.000 2.772 120 D HA 0.301 4.941 4.640 0.000 0.000 0.272 120 D C -0.683 175.746 176.300 0.216 0.000 1.314 120 D CA -0.221 53.854 54.000 0.125 0.000 0.835 120 D CB -0.348 40.507 40.800 0.091 0.000 1.080 120 D HN 0.019 nan 8.370 nan 0.000 0.482 121 F N 1.148 121.104 119.950 0.010 0.000 2.645 121 F HA 0.393 4.920 4.527 0.000 0.000 0.310 121 F C -1.482 174.326 175.800 0.014 0.000 1.102 121 F CA -0.847 57.159 58.000 0.010 0.000 0.952 121 F CB 1.585 40.588 39.000 0.005 0.000 1.326 121 F HN -0.108 nan 8.300 nan 0.000 0.456 122 N N 5.117 123.388 118.700 -0.715 0.000 2.367 122 N HA 0.537 5.277 4.740 0.000 0.000 0.278 122 N C -1.952 173.111 175.510 -0.745 0.000 1.117 122 N CA -0.766 51.998 53.050 -0.478 0.000 0.867 122 N CB 2.513 40.880 38.487 -0.199 0.000 1.649 122 N HN 0.851 nan 8.380 nan 0.000 0.479 123 M N -0.510 118.851 119.600 -0.400 0.000 2.531 123 M HA 0.627 5.107 4.480 0.000 0.000 0.286 123 M C -1.836 174.404 176.300 -0.099 0.000 1.232 123 M CA -0.550 54.604 55.300 -0.243 0.000 0.877 123 M CB 3.012 35.580 32.600 -0.054 0.000 1.726 123 M HN 0.486 nan 8.290 nan 0.000 0.463 124 E N 1.743 121.920 120.200 -0.040 0.000 2.340 124 E HA 0.764 5.114 4.350 0.000 0.000 0.273 124 E C -2.006 174.645 176.600 0.085 0.000 0.891 124 E CA -0.695 55.672 56.400 -0.056 0.000 0.757 124 E CB 3.058 32.714 29.700 -0.073 0.000 1.231 124 E HN 0.617 nan 8.360 nan 0.000 0.439 125 F N -0.891 119.038 119.950 -0.036 0.000 2.628 125 F HA 0.656 5.183 4.527 0.000 0.000 0.309 125 F C -1.338 174.441 175.800 -0.034 0.000 1.108 125 F CA -0.795 57.192 58.000 -0.022 0.000 0.971 125 F CB 1.681 40.682 39.000 0.002 0.000 1.279 125 F HN 0.187 nan 8.300 nan 0.000 0.441 126 S N 2.411 118.240 115.700 0.214 0.000 2.530 126 S HA 0.625 5.095 4.470 0.000 0.000 0.322 126 S C -0.851 173.862 174.600 0.190 0.000 1.085 126 S CA -0.499 57.757 58.200 0.093 0.000 1.096 126 S CB 1.209 64.432 63.200 0.039 0.000 0.988 126 S HN 0.705 nan 8.310 nan 0.000 0.466 127 S N 2.834 118.633 115.700 0.165 0.000 2.449 127 S HA 0.654 5.124 4.470 0.000 0.000 0.310 127 S C 0.203 174.836 174.600 0.054 0.000 1.096 127 S CA -0.622 57.669 58.200 0.152 0.000 1.095 127 S CB 1.125 64.459 63.200 0.223 0.000 1.007 127 S HN 0.894 nan 8.310 nan 0.000 0.474 128 A N 2.676 125.518 122.820 0.036 0.000 2.531 128 A HA 0.269 4.589 4.320 0.000 0.000 0.236 128 A C 0.371 177.941 177.584 -0.023 0.000 1.062 128 A CA -0.125 51.918 52.037 0.011 0.000 0.760 128 A CB -0.277 18.734 19.000 0.019 0.000 0.995 128 A HN 0.874 nan 8.150 nan 0.000 0.501 129 C N 1.848 121.103 119.300 -0.075 0.000 2.466 129 C HA 0.473 4.933 4.460 0.000 0.000 0.379 129 C C 0.697 175.514 174.990 -0.288 0.000 1.251 129 C CA -0.511 58.393 59.018 -0.189 0.000 2.263 129 C CB 0.486 28.049 27.740 -0.295 0.000 2.511 129 C HN 0.647 nan 8.230 nan 0.000 0.573 130 V N 4.500 124.270 119.914 -0.240 0.000 2.509 130 V HA 0.288 4.408 4.120 0.000 0.000 0.284 130 V C 0.181 176.096 176.094 -0.299 0.000 1.047 130 V CA -0.139 62.059 62.300 -0.171 0.000 0.952 130 V CB 0.666 32.448 31.823 -0.069 0.000 0.988 130 V HN 0.775 nan 8.190 nan 0.000 0.469 131 H N 2.408 121.482 119.070 0.007 0.000 2.573 131 H HA 0.395 4.951 4.556 0.000 0.000 0.351 131 H C 1.071 176.400 175.328 0.001 0.000 1.163 131 H CA 0.319 56.368 56.048 0.003 0.000 1.205 131 H CB 1.837 31.598 29.762 -0.002 0.000 1.605 131 H HN 0.891 nan 8.280 nan 0.000 0.525 132 G N 2.337 111.213 108.800 0.126 0.000 2.258 132 G HA2 -0.303 3.657 3.960 0.000 0.000 0.274 132 G HA3 -0.303 3.657 3.960 0.000 0.000 0.274 132 G C 0.408 175.328 174.900 0.033 0.000 1.021 132 G CA 0.676 45.815 45.100 0.065 0.000 0.798 132 G HN 0.600 nan 8.290 nan 0.000 0.507 133 Q N 1.016 120.829 119.800 0.022 0.000 2.337 133 Q HA 0.377 4.717 4.340 0.000 0.000 0.270 133 Q C -0.040 175.960 176.000 0.001 0.000 1.002 133 Q CA 0.108 55.915 55.803 0.007 0.000 0.888 133 Q CB 0.538 29.277 28.738 0.001 0.000 1.222 133 Q HN 0.404 nan 8.270 nan 0.000 0.400 134 D N 4.647 125.040 120.400 -0.011 0.000 2.225 134 D HA 0.265 4.905 4.640 0.000 0.000 0.248 134 D C -0.262 176.018 176.300 -0.035 0.000 1.096 134 D CA -0.194 53.791 54.000 -0.025 0.000 0.863 134 D CB 0.960 41.738 40.800 -0.037 0.000 1.156 134 D HN 0.463 nan 8.370 nan 0.000 0.450 135 I N 2.607 123.154 120.570 -0.040 0.000 2.355 135 I HA 0.139 4.310 4.170 0.000 0.000 0.288 135 I C 0.390 176.444 176.117 -0.106 0.000 0.999 135 I CA -0.725 60.547 61.300 -0.047 0.000 1.163 135 I CB 1.549 39.544 38.000 -0.009 0.000 1.316 135 I HN -0.005 nan 8.210 nan 0.000 0.454 136 V N 7.602 127.396 119.914 -0.200 0.000 2.655 136 V HA 0.213 4.334 4.120 0.000 0.000 0.300 136 V C 0.608 176.477 176.094 -0.376 0.000 1.044 136 V CA -0.179 61.862 62.300 -0.432 0.000 1.095 136 V CB 0.858 32.180 31.823 -0.834 0.000 0.952 136 V HN 0.820 nan 8.190 nan 0.000 0.485 137 R N 3.768 124.098 120.500 -0.283 0.000 2.744 137 R HA 0.454 4.795 4.340 0.000 0.000 0.279 137 R C -0.331 176.059 176.300 0.150 0.000 0.977 137 R CA -0.762 55.341 56.100 0.004 0.000 0.906 137 R CB 1.658 31.967 30.300 0.014 0.000 1.197 137 R HN 0.796 nan 8.270 nan 0.000 0.463 138 E N 2.308 122.672 120.200 0.273 0.000 2.376 138 E HA 0.066 4.416 4.350 0.000 0.000 0.266 138 E C -0.860 175.701 176.600 -0.066 0.000 1.009 138 E CA -0.088 56.322 56.400 0.017 0.000 0.902 138 E CB 0.769 30.339 29.700 -0.217 0.000 0.972 138 E HN 0.611 nan 8.360 nan 0.000 0.439 139 S N 3.278 118.911 115.700 -0.111 0.000 2.580 139 S HA 0.124 4.595 4.470 0.000 0.000 0.274 139 S C 1.382 175.916 174.600 -0.110 0.000 1.329 139 S CA -0.023 58.132 58.200 -0.075 0.000 1.036 139 S CB 1.487 64.660 63.200 -0.046 0.000 0.919 139 S HN 0.760 nan 8.310 nan 0.000 0.515 140 E N 3.443 123.604 120.200 -0.065 0.000 2.063 140 E HA -0.265 4.085 4.350 0.000 0.000 0.221 140 E C 0.512 177.062 176.600 -0.082 0.000 1.052 140 E CA 2.168 58.531 56.400 -0.060 0.000 0.891 140 E CB -1.259 28.421 29.700 -0.033 0.000 0.792 140 E HN 0.941 nan 8.360 nan 0.000 0.482 141 N N -2.231 116.431 118.700 -0.064 0.000 2.966 141 N HA 0.614 5.354 4.740 0.000 0.000 0.314 141 N C -0.681 174.798 175.510 -0.052 0.000 1.397 141 N CA -0.232 52.785 53.050 -0.056 0.000 0.776 141 N CB 2.214 40.692 38.487 -0.015 0.000 1.576 141 N HN 0.572 nan 8.380 nan 0.000 0.592 142 S N -2.842 112.848 115.700 -0.017 0.000 2.615 142 S HA 0.597 5.067 4.470 0.000 0.000 0.268 142 S C 0.424 175.048 174.600 0.039 0.000 1.146 142 S CA -0.511 57.689 58.200 -0.001 0.000 0.818 142 S CB 0.835 64.026 63.200 -0.015 0.000 1.111 142 S HN 0.791 nan 8.310 nan 0.000 0.465 143 A N 0.417 123.258 122.820 0.035 0.000 1.917 143 A HA 0.304 4.624 4.320 0.000 0.000 0.219 143 A C 0.808 178.437 177.584 0.076 0.000 1.182 143 A CA 1.951 54.014 52.037 0.043 0.000 0.633 143 A CB -0.622 18.395 19.000 0.029 0.000 0.819 143 A HN 1.112 nan 8.150 nan 0.000 0.448 144 V N -1.097 118.877 119.914 0.101 0.000 2.789 144 V HA 0.468 4.588 4.120 0.000 0.000 0.311 144 V C -0.772 175.459 176.094 0.229 0.000 1.073 144 V CA -0.613 61.778 62.300 0.151 0.000 0.921 144 V CB 1.812 33.709 31.823 0.123 0.000 1.009 144 V HN 0.568 nan 8.190 nan 0.000 0.426 145 H N 2.881 122.033 119.070 0.137 0.000 3.224 145 H HA 0.711 5.267 4.556 0.000 0.000 0.331 145 H C -2.121 173.298 175.328 0.150 0.000 1.002 145 H CA -0.407 55.730 56.048 0.148 0.000 1.473 145 H CB 1.941 31.794 29.762 0.151 0.000 1.830 145 H HN 0.473 nan 8.280 nan 0.000 0.485 146 V N 4.354 124.367 119.914 0.164 0.000 2.789 146 V HA 0.300 4.420 4.120 0.000 0.000 0.311 146 V C -0.497 175.545 176.094 -0.087 0.000 1.073 146 V CA -0.939 61.260 62.300 -0.168 0.000 0.921 146 V CB 2.105 33.768 31.823 -0.268 0.000 1.009 146 V HN 0.754 nan 8.190 nan 0.000 0.426 147 D N 3.197 123.464 120.400 -0.222 0.000 2.256 147 D HA 0.737 5.377 4.640 0.000 0.000 0.246 147 D C -0.894 175.299 176.300 -0.179 0.000 1.042 147 D CA -0.145 53.797 54.000 -0.096 0.000 0.841 147 D CB 2.532 43.312 40.800 -0.034 0.000 1.223 147 D HN 0.356 nan 8.370 nan 0.000 0.470 148 L N 1.324 122.472 121.223 -0.126 0.000 2.381 148 L HA 0.359 4.699 4.340 0.000 0.000 0.268 148 L C 0.140 176.937 176.870 -0.122 0.000 0.997 148 L CA -1.106 53.627 54.840 -0.177 0.000 0.818 148 L CB 1.997 43.929 42.059 -0.211 0.000 1.310 148 L HN 0.072 nan 8.230 nan 0.000 0.416 149 D N 0.342 120.661 120.400 -0.134 0.000 2.378 149 D HA -0.023 4.617 4.640 0.000 0.000 0.238 149 D C 0.586 176.862 176.300 -0.040 0.000 1.180 149 D CA 0.087 54.050 54.000 -0.061 0.000 0.895 149 D CB 0.786 41.544 40.800 -0.069 0.000 1.192 149 D HN 0.414 nan 8.370 nan 0.000 0.438 150 F N 1.379 121.267 119.950 -0.103 0.000 2.126 150 F HA -0.071 4.456 4.527 0.000 0.000 0.299 150 F C 2.073 177.812 175.800 -0.101 0.000 1.096 150 F CA 2.100 60.040 58.000 -0.100 0.000 1.255 150 F CB -0.600 38.353 39.000 -0.078 0.000 0.997 150 F HN 0.399 nan 8.300 nan 0.000 0.479 151 G N 0.087 108.732 108.800 -0.258 0.000 2.475 151 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 151 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 151 G C 1.763 176.475 174.900 -0.313 0.000 1.125 151 G CA 1.268 46.180 45.100 -0.313 0.000 0.755 151 G HN 0.391 nan 8.290 nan 0.000 0.565 152 V N 0.095 119.819 119.914 -0.318 0.000 2.379 152 V HA -0.114 4.006 4.120 0.000 0.000 0.245 152 V C 2.973 178.818 176.094 -0.415 0.000 1.044 152 V CA 1.208 63.241 62.300 -0.446 0.000 1.036 152 V CB -0.020 31.402 31.823 -0.668 0.000 0.664 152 V HN 0.251 nan 8.190 nan 0.000 0.453 153 V N 0.398 120.082 119.914 -0.384 0.000 2.343 153 V HA -0.272 3.848 4.120 0.000 0.000 0.247 153 V C 2.695 178.579 176.094 -0.350 0.000 1.051 153 V CA 2.078 64.179 62.300 -0.333 0.000 1.036 153 V CB -0.992 30.687 31.823 -0.241 0.000 0.654 153 V HN 0.567 nan 8.190 nan 0.000 0.451 154 A N -0.269 122.240 122.820 -0.518 0.000 1.933 154 A HA -0.247 4.073 4.320 0.000 0.000 0.218 154 A C 1.960 179.435 177.584 -0.182 0.000 1.175 154 A CA 2.059 53.839 52.037 -0.429 0.000 0.628 154 A CB -0.595 18.046 19.000 -0.599 0.000 0.814 154 A HN 0.542 nan 8.150 nan 0.000 0.444 155 D N -0.043 120.277 120.400 -0.134 0.000 2.097 155 D HA -0.100 4.540 4.640 0.000 0.000 0.195 155 D C 1.935 178.299 176.300 0.107 0.000 0.989 155 D CA 0.901 54.915 54.000 0.024 0.000 0.827 155 D CB -0.338 40.534 40.800 0.121 0.000 0.966 155 D HN 0.416 nan 8.370 nan 0.000 0.456 156 L N 0.164 121.413 121.223 0.043 0.000 2.012 156 L HA -0.169 4.171 4.340 0.000 0.000 0.210 156 L C 2.520 179.491 176.870 0.167 0.000 1.073 156 L CA 0.776 55.675 54.840 0.098 0.000 0.748 156 L CB -0.322 41.651 42.059 -0.143 0.000 0.891 156 L HN 0.086 nan 8.230 nan 0.000 0.431 157 L N -0.381 120.863 121.223 0.035 0.000 2.012 157 L HA -0.287 4.053 4.340 0.000 0.000 0.210 157 L C 2.760 179.743 176.870 0.190 0.000 1.073 157 L CA 1.474 56.371 54.840 0.095 0.000 0.748 157 L CB -0.546 41.481 42.059 -0.054 0.000 0.891 157 L HN 0.274 nan 8.230 nan 0.000 0.431 158 K N -0.627 119.848 120.400 0.125 0.000 2.057 158 K HA -0.262 4.058 4.320 0.000 0.000 0.207 158 K C 2.118 178.822 176.600 0.173 0.000 1.049 158 K CA 1.879 58.240 56.287 0.124 0.000 0.931 158 K CB -0.278 32.275 32.500 0.088 0.000 0.714 158 K HN 0.327 nan 8.250 nan 0.000 0.440 159 W N 1.411 122.725 121.300 0.024 0.000 2.388 159 W HA -0.084 4.577 4.660 0.000 0.000 0.294 159 W C 1.528 178.061 176.519 0.024 0.000 1.212 159 W CA 1.139 58.498 57.345 0.024 0.000 1.271 159 W CB -0.136 29.343 29.460 0.031 0.000 1.126 159 W HN -0.026 nan 8.180 nan 0.000 0.535 160 I N 0.508 121.047 120.570 -0.051 0.000 2.270 160 I HA 0.054 4.224 4.170 0.000 0.000 0.239 160 I C 2.065 177.999 176.117 -0.304 0.000 1.080 160 I CA 0.712 61.844 61.300 -0.281 0.000 1.383 160 I CB -1.493 36.499 38.000 -0.013 0.000 1.097 160 I HN -0.084 nan 8.210 nan 0.000 0.420 161 G N 1.877 110.555 108.800 -0.202 0.000 2.902 161 G HA2 0.041 4.001 3.960 0.000 0.000 0.240 161 G HA3 0.041 4.001 3.960 0.000 0.000 0.240 161 G C -1.835 172.942 174.900 -0.206 0.000 1.244 161 G CA -0.655 44.264 45.100 -0.302 0.000 0.862 161 G HN 0.151 nan 8.290 nan 0.000 0.603 178 G N -0.411 108.385 108.800 -0.007 0.000 2.746 178 G HA2 0.523 4.483 3.960 0.000 0.000 0.685 178 G HA3 0.523 4.483 3.960 0.000 0.000 0.685 178 G C 0.031 174.935 174.900 0.007 0.000 1.350 178 G CA 0.362 45.458 45.100 -0.007 0.000 0.837 178 G HN 2.501 nan 8.290 nan 0.000 0.564 179 T N -3.130 111.428 114.554 0.007 0.000 2.926 179 T HA 0.838 5.188 4.350 0.000 0.000 0.289 179 T C -0.497 174.220 174.700 0.029 0.000 1.054 179 T CA -0.155 61.955 62.100 0.016 0.000 1.015 179 T CB 2.206 71.073 68.868 -0.002 0.000 1.167 179 T HN 2.183 nan 8.240 nan 0.000 0.526 180 V N 0.692 120.624 119.914 0.029 0.000 2.638 180 V HA 0.541 4.661 4.120 0.000 0.000 0.306 180 V C -0.907 175.184 176.094 -0.005 0.000 1.052 180 V CA -0.671 61.659 62.300 0.049 0.000 0.885 180 V CB 1.769 33.654 31.823 0.105 0.000 0.999 180 V HN 1.103 nan 8.190 nan 0.000 0.424 181 Q N 4.933 124.748 119.800 0.026 0.000 2.241 181 Q HA 0.599 4.939 4.340 0.000 0.000 0.254 181 Q C -1.116 174.841 176.000 -0.072 0.000 0.917 181 Q CA -0.540 55.249 55.803 -0.024 0.000 0.919 181 Q CB 1.609 30.344 28.738 -0.004 0.000 1.237 181 Q HN 0.782 nan 8.270 nan 0.000 0.434 182 I N 4.879 125.357 120.570 -0.153 0.000 2.355 182 I HA 0.244 4.414 4.170 0.000 0.000 0.288 182 I C -1.004 174.981 176.117 -0.221 0.000 0.999 182 I CA -0.837 60.291 61.300 -0.287 0.000 1.163 182 I CB 1.315 39.127 38.000 -0.312 0.000 1.316 182 I HN 0.427 nan 8.210 nan 0.000 0.454 183 L N 8.664 129.744 121.223 -0.237 0.000 2.322 183 L HA 0.663 5.003 4.340 0.000 0.000 0.281 183 L C -0.848 175.916 176.870 -0.176 0.000 1.014 183 L CA -0.416 54.314 54.840 -0.183 0.000 0.815 183 L CB 1.804 43.784 42.059 -0.133 0.000 1.247 183 L HN 0.279 nan 8.230 nan 0.000 0.421 184 V N 4.724 124.529 119.914 -0.181 0.000 2.604 184 V HA 0.527 4.647 4.120 0.000 0.000 0.305 184 V C -0.630 175.334 176.094 -0.216 0.000 1.043 184 V CA -0.677 61.561 62.300 -0.103 0.000 0.888 184 V CB 1.631 33.441 31.823 -0.021 0.000 0.995 184 V HN 0.693 nan 8.190 nan 0.000 0.429 185 H N 2.091 121.118 119.070 -0.073 0.000 2.495 185 H HA 0.556 5.112 4.556 0.000 0.000 0.348 185 H C 0.722 175.966 175.328 -0.140 0.000 1.113 185 H CA 0.183 56.173 56.048 -0.097 0.000 1.195 185 H CB 2.405 32.105 29.762 -0.103 0.000 1.521 185 H HN 0.758 nan 8.280 nan 0.000 0.509 186 A N 3.292 126.130 122.820 0.029 0.000 1.827 186 A HA 0.030 4.350 4.320 0.000 0.000 0.215 186 A C 1.106 178.646 177.584 -0.073 0.000 1.212 186 A CA 1.521 53.543 52.037 -0.026 0.000 0.624 186 A CB -0.614 18.385 19.000 -0.001 0.000 0.853 186 A HN 0.688 nan 8.150 nan 0.000 0.450 187 G N 0.260 109.028 108.800 -0.053 0.000 2.723 187 G HA2 0.546 4.507 3.960 0.000 0.000 0.295 187 G HA3 0.546 4.507 3.960 0.000 0.000 0.295 187 G C -2.547 172.303 174.900 -0.084 0.000 1.464 187 G CA -0.623 44.428 45.100 -0.080 0.000 1.012 187 G HN 0.384 nan 8.290 nan 0.000 0.522 188 P HA 0.412 nan 4.420 nan 0.000 0.274 188 P C -2.824 174.340 177.300 -0.228 0.000 1.231 188 P CA -1.378 61.636 63.100 -0.143 0.000 0.790 188 P CB 0.931 32.558 31.700 -0.123 0.000 0.951 189 P HA 0.341 nan 4.420 nan 0.000 0.268 189 P C -0.899 175.884 177.300 -0.863 0.000 1.205 189 P CA 0.258 62.900 63.100 -0.764 0.000 0.771 189 P CB 0.408 31.419 31.700 -1.148 0.000 0.858 190 A N 3.031 125.457 122.820 -0.657 0.000 2.605 190 A HA 0.724 5.044 4.320 0.000 0.000 0.294 190 A C -1.714 175.968 177.584 0.164 0.000 1.062 190 A CA -0.517 51.447 52.037 -0.123 0.000 0.682 190 A CB 1.030 20.012 19.000 -0.029 0.000 1.278 190 A HN 0.553 nan 8.150 nan 0.000 0.410 191 I N 0.562 121.336 120.570 0.339 0.000 2.533 191 I HA 0.613 4.784 4.170 0.000 0.000 0.290 191 I C -1.136 175.016 176.117 0.058 0.000 1.056 191 I CA -0.482 60.933 61.300 0.191 0.000 1.057 191 I CB 1.707 39.863 38.000 0.260 0.000 1.240 191 I HN 0.661 nan 8.210 nan 0.000 0.423 192 K N 6.886 127.195 120.400 -0.152 0.000 2.378 192 K HA 0.528 4.849 4.320 0.000 0.000 0.252 192 K C -1.703 174.699 176.600 -0.330 0.000 0.931 192 K CA -0.446 55.761 56.287 -0.132 0.000 0.794 192 K CB 2.229 34.710 32.500 -0.033 0.000 1.181 192 K HN 0.339 nan 8.250 nan 0.000 0.425 193 F N 3.344 123.323 119.950 0.048 0.000 2.426 193 F HA 0.469 4.996 4.527 0.001 0.000 0.348 193 F C 0.073 176.012 175.800 0.231 0.000 1.124 193 F CA -0.814 57.275 58.000 0.150 0.000 1.008 193 F CB 0.884 40.054 39.000 0.284 0.000 1.139 193 F HN 0.144 nan 8.300 nan 0.000 0.452 194 I N 4.786 125.550 120.570 0.324 0.000 2.433 194 I HA 0.403 4.573 4.170 0.000 0.000 0.292 194 I C -0.560 175.710 176.117 0.256 0.000 1.001 194 I CA -0.690 60.783 61.300 0.288 0.000 1.119 194 I CB 1.718 39.798 38.000 0.133 0.000 1.289 194 I HN 0.425 nan 8.210 nan 0.000 0.438 195 L N 4.314 125.686 121.223 0.249 0.000 2.375 195 L HA 0.367 4.707 4.340 0.000 0.000 0.268 195 L C 1.454 178.361 176.870 0.062 0.000 1.058 195 L CA -0.476 54.423 54.840 0.098 0.000 0.803 195 L CB 1.622 43.667 42.059 -0.023 0.000 1.212 195 L HN 0.657 nan 8.230 nan 0.000 0.451 196 T N -0.760 113.807 114.554 0.021 0.000 2.803 196 T HA -0.160 4.190 4.350 0.000 0.000 0.269 196 T C 1.233 175.941 174.700 0.014 0.000 1.052 196 T CA 1.723 63.831 62.100 0.014 0.000 1.136 196 T CB -0.545 68.322 68.868 -0.001 0.000 0.864 196 T HN 0.740 nan 8.240 nan 0.000 0.467 197 N N 1.367 120.071 118.700 0.007 0.000 2.501 197 N HA 0.218 4.958 4.740 0.000 0.000 0.195 197 N C 1.247 176.778 175.510 0.035 0.000 1.213 197 N CA 0.577 53.633 53.050 0.009 0.000 0.864 197 N CB -0.710 37.770 38.487 -0.012 0.000 0.999 197 N HN 0.467 nan 8.380 nan 0.000 0.454 198 G N -1.468 107.365 108.800 0.054 0.000 2.153 198 G HA2 -0.298 3.663 3.960 0.000 0.000 0.252 198 G HA3 -0.298 3.663 3.960 0.000 0.000 0.252 198 G C -0.109 174.855 174.900 0.106 0.000 0.994 198 G CA 0.404 45.546 45.100 0.070 0.000 0.698 198 G HN 0.663 nan 8.290 nan 0.000 0.521 199 S N 0.092 115.887 115.700 0.158 0.000 2.480 199 S HA 0.625 5.095 4.470 0.000 0.000 0.286 199 S C 0.018 174.864 174.600 0.410 0.000 1.180 199 S CA -0.282 58.076 58.200 0.264 0.000 1.075 199 S CB 0.874 64.249 63.200 0.291 0.000 0.996 199 S HN 0.403 nan 8.310 nan 0.000 0.487 200 E N 2.609 122.974 120.200 0.274 0.000 2.266 200 E HA 0.492 4.842 4.350 0.000 0.000 0.268 200 E C -1.549 174.928 176.600 -0.205 0.000 0.879 200 E CA -0.902 55.580 56.400 0.137 0.000 0.762 200 E CB 2.023 31.759 29.700 0.060 0.000 1.199 200 E HN 0.377 nan 8.360 nan 0.000 0.422 201 L N 2.181 123.083 121.223 -0.536 0.000 2.325 201 L HA 0.392 4.732 4.340 0.000 0.000 0.281 201 L C -0.852 175.745 176.870 -0.454 0.000 1.004 201 L CA -0.146 54.187 54.840 -0.845 0.000 0.823 201 L CB 1.441 42.543 42.059 -1.596 0.000 1.236 201 L HN 0.632 nan 8.230 nan 0.000 0.415 202 E N 3.672 123.553 120.200 -0.532 0.000 2.256 202 E HA 0.544 4.895 4.350 0.000 0.000 0.267 202 E C -1.825 174.410 176.600 -0.608 0.000 0.892 202 E CA -0.654 55.534 56.400 -0.354 0.000 0.775 202 E CB 1.458 31.056 29.700 -0.170 0.000 1.207 202 E HN 0.459 nan 8.360 nan 0.000 0.420 203 F N 1.566 121.583 119.950 0.112 0.000 2.507 203 F HA 0.287 4.814 4.527 0.000 0.000 0.328 203 F C 0.209 176.128 175.800 0.199 0.000 1.136 203 F CA -0.585 57.492 58.000 0.129 0.000 0.930 203 F CB 2.115 41.201 39.000 0.143 0.000 1.166 203 F HN 0.314 nan 8.300 nan 0.000 0.436 204 T N -1.467 113.261 114.554 0.289 0.000 2.927 204 T HA 0.486 4.836 4.350 0.000 0.000 0.281 204 T C -0.008 174.886 174.700 0.323 0.000 0.998 204 T CA -1.089 61.142 62.100 0.218 0.000 1.019 204 T CB 1.247 70.161 68.868 0.076 0.000 1.061 204 T HN 0.509 nan 8.240 nan 0.000 0.518 205 S N 2.106 117.971 115.700 0.275 0.000 2.555 205 S HA 0.275 4.745 4.470 0.000 0.000 0.293 205 S C 0.126 174.828 174.600 0.170 0.000 1.248 205 S CA -0.604 57.789 58.200 0.323 0.000 1.096 205 S CB -1.028 62.254 63.200 0.137 0.000 0.881 205 S HN 1.112 nan 8.310 nan 0.000 0.498 206 N N 1.290 120.079 118.700 0.148 0.000 3.441 206 N HA 0.189 4.929 4.740 0.000 0.000 0.313 206 N C 0.213 175.750 175.510 0.044 0.000 1.526 206 N CA -0.524 52.575 53.050 0.081 0.000 0.871 206 N CB -0.165 38.370 38.487 0.080 0.000 1.779 206 N HN 0.374 nan 8.380 nan 0.000 0.529 207 N N -0.686 118.032 118.700 0.029 0.000 2.520 207 N HA -0.062 4.678 4.740 0.000 0.000 0.185 207 N C 0.885 176.391 175.510 -0.007 0.000 1.068 207 N CA 0.866 53.922 53.050 0.010 0.000 0.911 207 N CB 0.049 38.543 38.487 0.011 0.000 0.961 207 N HN 0.442 nan 8.380 nan 0.000 0.446 208 R N -0.282 120.213 120.500 -0.008 0.000 2.265 208 R HA 0.200 4.540 4.340 0.000 0.000 0.194 208 R C -0.141 176.096 176.300 -0.107 0.000 0.931 208 R CA 0.445 56.517 56.100 -0.046 0.000 1.032 208 R CB 0.757 31.036 30.300 -0.034 0.000 0.980 208 R HN 0.282 nan 8.270 nan 0.000 0.497 209 V N -1.743 118.108 119.914 -0.105 0.000 2.686 209 V HA 0.580 4.700 4.120 0.000 0.000 0.306 209 V C -0.918 175.021 176.094 -0.258 0.000 1.065 209 V CA -0.778 61.383 62.300 -0.231 0.000 0.894 209 V CB 2.343 33.982 31.823 -0.307 0.000 1.004 209 V HN -0.098 nan 8.190 nan 0.000 0.424 210 S N 5.113 120.594 115.700 -0.365 0.000 2.449 210 S HA 0.774 5.245 4.470 0.000 0.000 0.310 210 S C -0.921 173.313 174.600 -0.610 0.000 1.096 210 S CA -0.205 57.765 58.200 -0.383 0.000 1.095 210 S CB 1.014 63.988 63.200 -0.376 0.000 1.007 210 S HN 0.652 nan 8.310 nan 0.000 0.474 211 F N 3.128 122.866 119.950 -0.353 0.000 2.385 211 F HA 0.419 4.946 4.527 0.000 0.000 0.360 211 F C 1.435 177.013 175.800 -0.371 0.000 1.122 211 F CA -0.493 57.341 58.000 -0.277 0.000 1.090 211 F CB 0.901 39.831 39.000 -0.117 0.000 1.150 211 F HN 0.697 nan 8.300 nan 0.000 0.472 212 H N 2.266 121.340 119.070 0.006 0.000 2.292 212 H HA 0.266 4.823 4.556 0.000 0.000 0.325 212 H C 0.927 176.303 175.328 0.080 0.000 1.119 212 H CA 0.651 56.691 56.048 -0.013 0.000 1.617 212 H CB -0.100 29.565 29.762 -0.162 0.000 1.502 212 H HN 0.578 nan 8.280 nan 0.000 0.615 213 G N 1.430 110.384 108.800 0.256 0.000 2.372 213 G HA2 0.502 4.462 3.960 0.000 0.000 0.323 213 G HA3 0.502 4.462 3.960 0.000 0.000 0.323 213 G C -0.532 174.477 174.900 0.181 0.000 1.152 213 G CA -0.262 44.952 45.100 0.191 0.000 0.906 213 G HN 0.244 nan 8.290 nan 0.000 0.460 214 V N -0.496 119.492 119.914 0.122 0.000 3.007 214 V HA 0.856 4.976 4.120 0.000 0.000 0.311 214 V C -0.604 175.517 176.094 0.045 0.000 1.120 214 V CA -1.347 61.010 62.300 0.095 0.000 0.980 214 V CB 2.076 33.926 31.823 0.046 0.000 1.033 214 V HN 0.735 nan 8.190 nan 0.000 0.429 215 K N 1.370 121.785 120.400 0.025 0.000 2.557 215 K HA 0.409 4.729 4.320 0.000 0.000 0.261 215 K C -1.395 175.185 176.600 -0.033 0.000 0.932 215 K CA -0.809 55.478 56.287 0.000 0.000 0.829 215 K CB 2.142 34.647 32.500 0.009 0.000 1.358 215 K HN 0.816 nan 8.250 nan 0.000 0.430 216 N N 4.236 122.905 118.700 -0.052 0.000 2.406 216 N HA 0.183 4.923 4.740 0.000 0.000 0.265 216 N C -0.373 175.075 175.510 -0.104 0.000 1.203 216 N CA 0.523 53.506 53.050 -0.111 0.000 0.945 216 N CB 0.169 38.602 38.487 -0.090 0.000 1.165 216 N HN 0.488 nan 8.380 nan 0.000 0.485 217 M N 0.241 119.763 119.600 -0.130 0.000 2.732 217 M HA 0.514 4.994 4.480 0.000 0.000 0.272 217 M C -1.496 174.736 176.300 -0.114 0.000 1.203 217 M CA -1.108 54.135 55.300 -0.095 0.000 0.841 217 M CB 2.803 35.372 32.600 -0.051 0.000 1.685 217 M HN 0.234 nan 8.290 nan 0.000 0.492 218 R N 2.154 122.603 120.500 -0.086 0.000 2.538 218 R HA 0.847 5.187 4.340 0.000 0.000 0.292 218 R C -1.653 174.613 176.300 -0.058 0.000 1.008 218 R CA -0.684 55.365 56.100 -0.086 0.000 0.896 218 R CB 1.925 32.174 30.300 -0.085 0.000 1.187 218 R HN 0.997 nan 8.270 nan 0.000 0.440 219 I N -0.438 120.095 120.570 -0.063 0.000 2.910 219 I HA 0.573 4.743 4.170 0.000 0.000 0.310 219 I C -0.973 175.113 176.117 -0.052 0.000 1.043 219 I CA -1.180 60.095 61.300 -0.043 0.000 1.053 219 I CB 2.609 40.592 38.000 -0.028 0.000 1.242 219 I HN 0.527 nan 8.210 nan 0.000 0.452 220 N N 2.631 121.310 118.700 -0.036 0.000 2.346 220 N HA 0.583 5.323 4.740 0.000 0.000 0.289 220 N C -1.182 174.309 175.510 -0.031 0.000 1.027 220 N CA -0.273 52.755 53.050 -0.037 0.000 0.864 220 N CB 2.850 41.321 38.487 -0.026 0.000 1.370 220 N HN 0.647 nan 8.380 nan 0.000 0.481 221 V N -0.261 119.629 119.914 -0.039 0.000 3.074 221 V HA 0.485 4.605 4.120 0.000 0.000 0.314 221 V C 0.004 176.110 176.094 0.021 0.000 1.117 221 V CA -1.011 61.286 62.300 -0.005 0.000 1.014 221 V CB 2.094 33.922 31.823 0.008 0.000 1.057 221 V HN 0.542 nan 8.190 nan 0.000 0.438 222 Q N 0.817 120.647 119.800 0.050 0.000 2.289 222 Q HA 0.227 4.567 4.340 0.000 0.000 0.273 222 Q C 0.794 176.882 176.000 0.146 0.000 1.029 222 Q CA 0.052 55.895 55.803 0.067 0.000 0.896 222 Q CB 1.257 30.034 28.738 0.064 0.000 1.182 222 Q HN 0.908 nan 8.270 nan 0.000 0.385 223 L N 5.133 126.434 121.223 0.130 0.000 2.012 223 L HA -0.246 4.094 4.340 0.000 0.000 0.210 223 L C 2.372 179.376 176.870 0.223 0.000 1.073 223 L CA 1.894 56.850 54.840 0.193 0.000 0.748 223 L CB -0.218 41.897 42.059 0.093 0.000 0.891 223 L HN 0.726 nan 8.230 nan 0.000 0.431 224 K N -0.237 120.249 120.400 0.144 0.000 2.020 224 K HA -0.247 4.073 4.320 0.000 0.000 0.212 224 K C 1.871 178.584 176.600 0.189 0.000 1.050 224 K CA 2.129 58.503 56.287 0.146 0.000 0.929 224 K CB -0.162 32.393 32.500 0.092 0.000 0.714 224 K HN 0.373 nan 8.250 nan 0.000 0.443 225 N N 0.189 118.996 118.700 0.179 0.000 2.223 225 N HA -0.165 4.575 4.740 0.000 0.000 0.185 225 N C 1.585 177.221 175.510 0.211 0.000 1.016 225 N CA 1.131 54.286 53.050 0.174 0.000 0.863 225 N CB -0.370 38.223 38.487 0.175 0.000 0.983 225 N HN 0.267 nan 8.380 nan 0.000 0.429 226 F N 0.310 120.330 119.950 0.115 0.000 2.113 226 F HA -0.244 4.284 4.527 0.001 0.000 0.297 226 F C 2.441 178.313 175.800 0.118 0.000 1.103 226 F CA 1.008 59.078 58.000 0.118 0.000 1.248 226 F CB -0.285 38.805 39.000 0.149 0.000 0.999 226 F HN -0.027 nan 8.300 nan 0.000 0.475 227 Y N 1.276 121.533 120.300 -0.070 0.000 2.145 227 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 227 Y C 2.603 178.404 175.900 -0.165 0.000 1.145 227 Y CA 2.201 60.193 58.100 -0.179 0.000 1.148 227 Y CB -0.941 37.488 38.460 -0.051 0.000 0.981 227 Y HN 0.208 nan 8.280 nan 0.000 0.507 228 Q N -0.256 119.511 119.800 -0.055 0.000 2.124 228 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 228 Q C 2.219 178.109 176.000 -0.183 0.000 0.977 228 Q CA 2.503 58.235 55.803 -0.118 0.000 0.850 228 Q CB -0.746 28.003 28.738 0.018 0.000 0.901 228 Q HN 0.456 nan 8.270 nan 0.000 0.429 229 T N 0.424 114.882 114.554 -0.160 0.000 2.746 229 T HA -0.063 4.287 4.350 0.000 0.000 0.267 229 T C 1.615 176.151 174.700 -0.273 0.000 1.039 229 T CA 1.208 63.207 62.100 -0.168 0.000 1.142 229 T CB -0.183 68.628 68.868 -0.096 0.000 0.866 229 T HN 0.231 nan 8.240 nan 0.000 0.444 230 L N 0.355 121.314 121.223 -0.439 0.000 2.056 230 L HA -0.029 4.311 4.340 0.000 0.000 0.207 230 L C 2.463 179.133 176.870 -0.334 0.000 1.078 230 L CA 1.053 55.632 54.840 -0.435 0.000 0.749 230 L CB -0.542 41.170 42.059 -0.578 0.000 0.901 230 L HN 0.266 nan 8.230 nan 0.000 0.433 231 L N -0.242 120.733 121.223 -0.413 0.000 2.017 231 L HA -0.238 4.102 4.340 0.000 0.000 0.208 231 L C 2.412 179.181 176.870 -0.168 0.000 1.073 231 L CA 1.179 55.833 54.840 -0.310 0.000 0.745 231 L CB -0.684 41.155 42.059 -0.366 0.000 0.894 231 L HN 0.375 nan 8.230 nan 0.000 0.432 232 N N -0.415 118.192 118.700 -0.155 0.000 2.104 232 N HA -0.178 4.562 4.740 0.000 0.000 0.190 232 N C 1.832 177.304 175.510 -0.063 0.000 1.024 232 N CA 1.669 54.662 53.050 -0.094 0.000 0.853 232 N CB -0.828 37.607 38.487 -0.087 0.000 1.008 232 N HN 0.363 nan 8.380 nan 0.000 0.424 233 C N 0.728 119.974 119.300 -0.089 0.000 2.457 233 C HA 0.135 4.595 4.460 0.000 0.000 0.278 233 C C 2.801 177.787 174.990 -0.007 0.000 1.309 233 C CA 0.266 59.249 59.018 -0.059 0.000 1.735 233 C CB -1.257 26.424 27.740 -0.098 0.000 1.992 233 C HN 0.484 nan 8.230 nan 0.000 0.493 234 A N 1.218 124.046 122.820 0.012 0.000 2.032 234 A HA -0.137 4.184 4.320 0.000 0.000 0.221 234 A C 2.250 179.873 177.584 0.065 0.000 1.165 234 A CA 2.000 54.133 52.037 0.160 0.000 0.645 234 A CB -0.833 18.267 19.000 0.167 0.000 0.807 234 A HN 0.771 nan 8.150 nan 0.000 0.453 235 V N -1.285 118.639 119.914 0.018 0.000 2.688 235 V HA -0.210 3.910 4.120 0.000 0.000 0.256 235 V C 2.200 178.274 176.094 -0.034 0.000 1.084 235 V CA 2.688 64.996 62.300 0.013 0.000 1.103 235 V CB -1.998 29.862 31.823 0.062 0.000 0.688 235 V HN 0.735 nan 8.190 nan 0.000 0.480 236 T N -3.284 111.212 114.554 -0.097 0.000 3.043 236 T HA 0.026 4.376 4.350 0.000 0.000 0.263 236 T C 1.234 175.711 174.700 -0.372 0.000 1.094 236 T CA 0.733 62.703 62.100 -0.217 0.000 1.127 236 T CB -0.453 68.275 68.868 -0.234 0.000 0.905 236 T HN 0.625 nan 8.240 nan 0.000 0.490 237 K N 0.568 120.582 120.400 -0.644 0.000 3.209 237 K HA -0.130 4.190 4.320 0.000 0.000 0.289 237 K C -0.298 175.780 176.600 -0.869 0.000 1.191 237 K CA 0.525 55.962 56.287 -1.417 0.000 0.851 237 K CB -2.104 29.867 32.500 -0.882 0.000 1.242 237 K HN 0.497 nan 8.250 nan 0.000 0.480 238 L N -0.673 120.303 121.223 -0.411 0.000 2.256 238 L HA 0.510 4.851 4.340 0.000 0.000 0.261 238 L C -2.174 174.694 176.870 -0.003 0.000 1.022 238 L CA -2.634 52.112 54.840 -0.157 0.000 0.828 238 L CB 1.381 43.342 42.059 -0.163 0.000 1.374 238 L HN -0.262 nan 8.230 nan 0.000 0.436 239 P HA 0.024 nan 4.420 nan 0.000 0.270 239 P C -1.170 176.133 177.300 0.005 0.000 1.221 239 P CA -0.248 62.865 63.100 0.021 0.000 0.788 239 P CB 0.450 32.150 31.700 0.001 0.000 0.904 240 C N 0.258 119.556 119.300 -0.003 0.000 2.719 240 C HA 0.665 5.126 4.460 0.000 0.000 0.327 240 C C -0.057 174.941 174.990 0.014 0.000 1.238 240 C CA -0.110 58.900 59.018 -0.014 0.000 1.727 240 C CB 1.820 29.539 27.740 -0.036 0.000 2.256 240 C HN 0.470 nan 8.230 nan 0.000 0.489 241 T N 2.106 116.678 114.554 0.031 0.000 2.841 241 T HA 0.658 5.009 4.350 0.000 0.000 0.283 241 T C -1.079 173.687 174.700 0.111 0.000 1.000 241 T CA -0.307 61.874 62.100 0.134 0.000 0.977 241 T CB 1.270 70.265 68.868 0.211 0.000 0.979 241 T HN 0.604 nan 8.240 nan 0.000 0.446 242 L N 3.393 124.735 121.223 0.198 0.000 2.410 242 L HA 0.760 5.100 4.340 0.000 0.000 0.270 242 L C -1.068 175.965 176.870 0.271 0.000 0.983 242 L CA -0.624 54.336 54.840 0.200 0.000 0.822 242 L CB 1.312 43.489 42.059 0.198 0.000 1.285 242 L HN 0.596 nan 8.230 nan 0.000 0.409 243 R N 5.198 125.862 120.500 0.273 0.000 2.740 243 R HA 0.657 4.997 4.340 0.000 0.000 0.273 243 R C -1.486 174.918 176.300 0.173 0.000 0.998 243 R CA -0.790 55.437 56.100 0.211 0.000 0.900 243 R CB 2.612 32.980 30.300 0.112 0.000 1.223 243 R HN 0.543 nan 8.270 nan 0.000 0.466 244 I N 2.299 122.943 120.570 0.123 0.000 2.418 244 I HA 0.342 4.512 4.170 0.000 0.000 0.287 244 I C -0.581 175.580 176.117 0.074 0.000 1.008 244 I CA -1.065 60.294 61.300 0.098 0.000 1.104 244 I CB 2.056 40.098 38.000 0.070 0.000 1.264 244 I HN 0.191 nan 8.210 nan 0.000 0.438 245 V N 4.520 124.480 119.914 0.077 0.000 2.483 245 V HA 0.378 4.498 4.120 0.000 0.000 0.295 245 V C 0.798 176.920 176.094 0.046 0.000 1.035 245 V CA -0.298 62.032 62.300 0.050 0.000 0.896 245 V CB 1.552 33.412 31.823 0.062 0.000 0.986 245 V HN 0.898 nan 8.190 nan 0.000 0.447 246 T N -1.987 112.575 114.554 0.013 0.000 3.231 246 T HA 0.039 4.389 4.350 0.000 0.000 0.292 246 T C 1.114 175.785 174.700 -0.048 0.000 1.001 246 T CA 0.461 62.563 62.100 0.003 0.000 0.920 246 T CB 0.642 69.512 68.868 0.002 0.000 1.140 246 T HN 0.417 nan 8.240 nan 0.000 0.525 247 E N 1.035 121.174 120.200 -0.102 0.000 2.085 247 E HA -0.131 4.219 4.350 0.000 0.000 0.194 247 E C 1.025 177.343 176.600 -0.471 0.000 0.994 247 E CA 1.663 57.887 56.400 -0.292 0.000 0.801 247 E CB -0.179 29.316 29.700 -0.343 0.000 0.743 247 E HN 0.853 nan 8.360 nan 0.000 0.453 248 H N -1.688 117.395 119.070 0.022 0.000 4.854 248 H HA 0.371 4.927 4.556 0.000 0.000 0.255 248 H C -0.265 175.080 175.328 0.029 0.000 1.334 248 H CA -0.208 55.853 56.048 0.021 0.000 0.630 248 H CB -0.737 29.036 29.762 0.018 0.000 1.417 248 H HN 0.138 nan 8.280 nan 0.000 0.481 249 D N 1.650 122.165 120.400 0.192 0.000 2.372 249 D HA 0.122 4.762 4.640 0.000 0.000 0.243 249 D C -0.301 176.065 176.300 0.110 0.000 1.121 249 D CA 0.251 54.322 54.000 0.117 0.000 0.898 249 D CB 0.593 41.454 40.800 0.102 0.000 1.202 249 D HN 0.206 nan 8.370 nan 0.000 0.428 250 T N 2.503 117.108 114.554 0.085 0.000 2.853 250 T HA 0.261 4.612 4.350 0.000 0.000 0.298 250 T C 0.237 175.001 174.700 0.107 0.000 0.978 250 T CA -0.029 62.119 62.100 0.080 0.000 1.152 250 T CB 0.125 69.027 68.868 0.056 0.000 0.914 250 T HN 0.091 nan 8.240 nan 0.000 0.539 251 L N 3.140 124.440 121.223 0.127 0.000 2.371 251 L HA 0.635 4.976 4.340 0.000 0.000 0.262 251 L C -0.811 176.162 176.870 0.171 0.000 1.006 251 L CA -1.285 53.659 54.840 0.173 0.000 0.818 251 L CB 2.126 44.331 42.059 0.243 0.000 1.354 251 L HN 0.426 nan 8.230 nan 0.000 0.415 252 L N 2.034 123.368 121.223 0.185 0.000 2.317 252 L HA 0.501 4.841 4.340 0.000 0.000 0.281 252 L C -1.372 175.622 176.870 0.207 0.000 1.024 252 L CA -0.143 54.800 54.840 0.172 0.000 0.810 252 L CB 1.468 43.609 42.059 0.137 0.000 1.240 252 L HN 0.439 nan 8.230 nan 0.000 0.427 253 Y N 4.892 125.201 120.300 0.015 0.000 2.361 253 Y HA 0.742 5.293 4.550 0.000 0.000 0.337 253 Y C -1.542 174.310 175.900 -0.081 0.000 0.965 253 Y CA -0.793 57.225 58.100 -0.136 0.000 1.091 253 Y CB 1.742 40.093 38.460 -0.182 0.000 1.182 253 Y HN 0.396 nan 8.280 nan 0.000 0.450 254 V N 5.902 125.454 119.914 -0.602 0.000 2.483 254 V HA 0.920 5.041 4.120 0.000 0.000 0.297 254 V C -0.561 175.119 176.094 -0.690 0.000 1.027 254 V CA -0.304 61.737 62.300 -0.432 0.000 0.855 254 V CB 0.920 32.666 31.823 -0.130 0.000 0.995 254 V HN 0.967 nan 8.190 nan 0.000 0.424 255 A N 3.384 125.859 122.820 -0.576 0.000 2.566 255 A HA 0.995 5.316 4.320 0.000 0.000 0.292 255 A C -0.678 176.801 177.584 -0.174 0.000 1.112 255 A CA -0.596 51.188 52.037 -0.422 0.000 0.707 255 A CB 2.402 21.107 19.000 -0.491 0.000 1.302 255 A HN 0.831 nan 8.150 nan 0.000 0.409 256 S N -0.868 114.761 115.700 -0.117 0.000 2.565 256 S HA 0.802 5.272 4.470 0.000 0.000 0.269 256 S C -1.080 173.462 174.600 -0.096 0.000 1.153 256 S CA -0.475 57.676 58.200 -0.081 0.000 0.835 256 S CB 1.263 64.419 63.200 -0.072 0.000 1.122 256 S HN 1.424 nan 8.310 nan 0.000 0.462 257 R N 1.003 121.420 120.500 -0.138 0.000 2.752 257 R HA 0.711 5.051 4.340 0.000 0.000 0.271 257 R C -1.317 174.803 176.300 -0.300 0.000 1.026 257 R CA -0.808 55.157 56.100 -0.225 0.000 0.901 257 R CB 0.756 30.978 30.300 -0.130 0.000 1.243 257 R HN 0.681 nan 8.270 nan 0.000 0.463 258 N N -0.926 117.516 118.700 -0.431 0.000 3.439 258 N HA 0.284 5.024 4.740 0.000 0.000 0.343 258 N C 0.406 175.751 175.510 -0.274 0.000 1.597 258 N CA -0.407 52.420 53.050 -0.371 0.000 0.733 258 N CB 0.150 38.351 38.487 -0.476 0.000 1.973 258 N HN 0.642 nan 8.380 nan 0.000 0.646 259 G N -1.102 107.580 108.800 -0.197 0.000 2.744 259 G HA2 0.131 4.091 3.960 0.000 0.000 0.211 259 G HA3 0.131 4.091 3.960 0.000 0.000 0.211 259 G C 0.748 175.614 174.900 -0.058 0.000 1.143 259 G CA 0.411 45.450 45.100 -0.101 0.000 0.788 259 G HN 0.384 nan 8.290 nan 0.000 0.534 260 L N -1.490 119.667 121.223 -0.109 0.000 2.577 260 L HA 0.441 4.782 4.340 0.000 0.000 0.225 260 L C 0.397 177.373 176.870 0.177 0.000 1.053 260 L CA -0.109 54.783 54.840 0.086 0.000 0.866 260 L CB 0.165 42.353 42.059 0.216 0.000 1.132 260 L HN 0.260 nan 8.230 nan 0.000 0.486 261 F N -1.564 118.347 119.950 -0.065 0.000 2.741 261 F HA 0.853 5.380 4.527 0.000 0.000 0.313 261 F C -1.130 174.583 175.800 -0.145 0.000 1.153 261 F CA -1.517 56.373 58.000 -0.182 0.000 0.931 261 F CB 1.014 39.721 39.000 -0.487 0.000 1.335 261 F HN -0.282 nan 8.300 nan 0.000 0.460 262 A N 1.096 123.976 122.820 0.101 0.000 2.371 262 A HA 0.803 5.123 4.320 0.000 0.000 0.311 262 A C -1.837 175.818 177.584 0.119 0.000 1.068 262 A CA -0.902 51.161 52.037 0.043 0.000 0.744 262 A CB 1.656 20.676 19.000 0.033 0.000 1.239 262 A HN 0.865 nan 8.150 nan 0.000 0.435 263 V N 2.274 122.232 119.914 0.074 0.000 2.417 263 V HA 0.507 4.627 4.120 0.000 0.000 0.291 263 V C -0.340 175.712 176.094 -0.070 0.000 1.024 263 V CA -0.321 61.997 62.300 0.029 0.000 0.861 263 V CB 1.294 33.142 31.823 0.040 0.000 0.985 263 V HN 0.970 nan 8.190 nan 0.000 0.436 264 E N 3.729 123.886 120.200 -0.072 0.000 2.292 264 E HA 0.554 4.904 4.350 0.000 0.000 0.272 264 E C -1.451 175.009 176.600 -0.234 0.000 0.881 264 E CA -0.838 55.417 56.400 -0.242 0.000 0.754 264 E CB 2.371 32.051 29.700 -0.033 0.000 1.201 264 E HN 0.771 nan 8.360 nan 0.000 0.425 265 N N 1.446 119.833 118.700 -0.522 0.000 2.225 265 N HA 0.538 5.279 4.740 0.000 0.000 0.298 265 N C -1.621 173.630 175.510 -0.431 0.000 1.076 265 N CA -0.612 52.291 53.050 -0.246 0.000 0.792 265 N CB 1.340 39.757 38.487 -0.117 0.000 1.498 265 N HN 0.222 nan 8.380 nan 0.000 0.474 266 F N 1.192 121.203 119.950 0.101 0.000 2.507 266 F HA 0.556 5.083 4.527 0.000 0.000 0.328 266 F C -0.925 174.958 175.800 0.139 0.000 1.136 266 F CA -0.753 57.346 58.000 0.164 0.000 0.930 266 F CB 0.976 40.083 39.000 0.178 0.000 1.166 266 F HN 0.096 nan 8.300 nan 0.000 0.436 267 L N 2.436 123.833 121.223 0.289 0.000 2.362 267 L HA 0.728 5.068 4.340 0.000 0.000 0.271 267 L C 0.350 177.349 176.870 0.215 0.000 1.002 267 L CA -0.534 54.448 54.840 0.237 0.000 0.818 267 L CB 2.281 44.466 42.059 0.210 0.000 1.298 267 L HN 0.725 nan 8.230 nan 0.000 0.420 268 T N -2.221 112.458 114.554 0.209 0.000 2.912 268 T HA 0.513 4.863 4.350 0.000 0.000 0.280 268 T C 0.027 174.801 174.700 0.124 0.000 0.989 268 T CA -0.910 61.297 62.100 0.178 0.000 0.995 268 T CB 1.082 70.080 68.868 0.216 0.000 1.077 268 T HN 0.485 nan 8.240 nan 0.000 0.531 269 E N 0.787 121.039 120.200 0.087 0.000 2.343 269 E HA 0.200 4.550 4.350 0.000 0.000 0.269 269 E C -0.213 176.379 176.600 -0.014 0.000 1.047 269 E CA -0.526 55.894 56.400 0.034 0.000 0.874 269 E CB 0.644 30.363 29.700 0.032 0.000 1.033 269 E HN 0.507 nan 8.360 nan 0.000 0.409 270 E N 2.914 123.084 120.200 -0.050 0.000 2.204 270 E HA 0.312 4.662 4.350 0.000 0.000 0.276 270 E C -1.971 174.599 176.600 -0.050 0.000 0.974 270 E CA -1.931 54.410 56.400 -0.099 0.000 0.815 270 E CB 0.976 30.613 29.700 -0.104 0.000 1.119 270 E HN 0.365 nan 8.360 nan 0.000 0.393 271 P HA 0.000 nan 4.420 nan 0.000 0.216 271 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 271 P CB 0.000 31.694 31.700 -0.009 0.000 0.726