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 1h57_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 1 Q CA 0.000 55.793 55.803 -0.016 0.000 1.022 1 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 2 L N 1.019 122.214 121.223 -0.047 0.000 2.439 2 L HA 0.600 5.599 4.340 1.099 0.000 0.269 2 L C 0.686 177.542 176.870 -0.024 0.000 1.179 2 L CA 0.152 54.948 54.840 -0.075 0.000 0.828 2 L CB 0.797 42.810 42.059 -0.075 0.000 1.106 2 L HN 0.648 nan 8.230 nan 0.000 0.467 3 T N 1.595 116.141 114.554 -0.013 0.000 2.952 3 T HA 0.381 5.390 4.350 1.099 0.000 0.305 3 T C -2.270 172.454 174.700 0.040 0.000 1.064 3 T CA -1.512 60.607 62.100 0.032 0.000 1.008 3 T CB 2.038 70.943 68.868 0.062 0.000 1.078 3 T HN 0.228 nan 8.240 nan 0.000 0.459 4 P HA -0.013 nan 4.420 nan 0.000 0.222 4 P C 1.197 178.527 177.300 0.051 0.000 1.147 4 P CA 1.059 64.184 63.100 0.042 0.000 0.790 4 P CB 0.034 31.759 31.700 0.043 0.000 0.780 5 T N -5.678 108.904 114.554 0.048 0.000 3.144 5 T HA 0.077 5.087 4.350 1.099 0.000 0.249 5 T C 1.358 176.064 174.700 0.009 0.000 1.089 5 T CA -0.349 61.770 62.100 0.031 0.000 0.989 5 T CB -1.284 67.591 68.868 0.010 0.000 0.992 5 T HN -0.116 nan 8.240 nan 0.000 0.540 6 F N 2.112 121.959 119.950 -0.172 0.000 2.147 6 F HA -0.151 5.036 4.527 1.100 0.000 0.301 6 F C 1.000 176.564 175.800 -0.394 0.000 1.084 6 F CA 1.349 59.142 58.000 -0.344 0.000 1.268 6 F CB -0.202 38.458 39.000 -0.567 0.000 1.009 6 F HN 0.275 nan 8.300 nan 0.000 0.486 7 Y N -0.729 119.610 120.300 0.064 0.000 2.555 7 Y HA 0.148 5.357 4.550 1.098 0.000 0.259 7 Y C 1.519 177.394 175.900 -0.041 0.000 1.179 7 Y CA -0.552 57.538 58.100 -0.018 0.000 1.230 7 Y CB -0.722 37.776 38.460 0.064 0.000 1.146 7 Y HN -0.043 nan 8.280 nan 0.000 0.526 8 D N 0.012 120.446 120.400 0.056 0.000 2.263 8 D HA -0.150 5.149 4.640 1.099 0.000 0.208 8 D C 1.164 177.468 176.300 0.006 0.000 0.971 8 D CA 1.298 55.316 54.000 0.030 0.000 0.867 8 D CB 0.033 40.837 40.800 0.006 0.000 0.929 8 D HN 0.533 nan 8.370 nan 0.000 0.492 9 N N -1.051 117.638 118.700 -0.019 0.000 2.571 9 N HA -0.048 5.351 4.740 1.099 0.000 0.195 9 N C 1.699 177.203 175.510 -0.011 0.000 1.040 9 N CA 0.532 53.566 53.050 -0.027 0.000 0.890 9 N CB 0.401 38.852 38.487 -0.059 0.000 1.233 9 N HN 0.000 nan 8.380 nan 0.000 0.435 10 S N -0.841 114.860 115.700 0.001 0.000 2.436 10 S HA 0.045 5.175 4.470 1.099 0.000 0.228 10 S C 0.978 175.607 174.600 0.048 0.000 1.014 10 S CA 0.077 58.295 58.200 0.030 0.000 0.950 10 S CB 0.180 63.412 63.200 0.053 0.000 0.784 10 S HN 0.338 nan 8.310 nan 0.000 0.504 11 c N 2.789 121.433 118.600 0.073 0.000 3.079 11 c HA 0.426 5.655 4.570 1.099 0.000 0.246 11 c C -1.939 172.170 174.090 0.031 0.000 1.025 11 c CA -1.191 55.147 56.329 0.015 0.000 1.081 11 c CB 0.875 43.338 42.510 -0.079 0.000 1.757 11 c HN 0.338 nan 8.230 nan 0.000 0.646 12 P HA -0.103 nan 4.420 nan 0.000 0.219 12 P C 0.747 178.049 177.300 0.004 0.000 1.146 12 P CA 1.535 64.649 63.100 0.024 0.000 0.808 12 P CB 0.119 31.826 31.700 0.011 0.000 0.779 13 N N -0.371 118.320 118.700 -0.014 0.000 2.314 13 N HA -0.006 5.393 4.740 1.099 0.000 0.200 13 N C 1.616 177.099 175.510 -0.045 0.000 1.135 13 N CA -0.023 53.011 53.050 -0.026 0.000 0.835 13 N CB -0.014 38.457 38.487 -0.026 0.000 0.989 13 N HN 0.031 nan 8.380 nan 0.000 0.478 14 V N 0.558 120.437 119.914 -0.058 0.000 2.287 14 V HA -0.245 4.534 4.120 1.099 0.000 0.248 14 V C 2.380 178.425 176.094 -0.082 0.000 1.053 14 V CA 2.162 64.404 62.300 -0.097 0.000 1.027 14 V CB -0.445 31.274 31.823 -0.174 0.000 0.646 14 V HN 0.287 nan 8.190 nan 0.000 0.447 15 S N 0.121 115.782 115.700 -0.064 0.000 2.382 15 S HA -0.207 4.923 4.470 1.099 0.000 0.228 15 S C 1.664 176.222 174.600 -0.071 0.000 1.027 15 S CA 2.202 60.357 58.200 -0.076 0.000 0.991 15 S CB -0.641 62.515 63.200 -0.074 0.000 0.823 15 S HN 0.828 nan 8.310 nan 0.000 0.469 16 N N 1.256 119.923 118.700 -0.055 0.000 2.188 16 N HA 0.108 5.508 4.740 1.099 0.000 0.184 16 N C 1.623 177.105 175.510 -0.047 0.000 1.018 16 N CA 1.407 54.429 53.050 -0.047 0.000 0.858 16 N CB -0.308 38.158 38.487 -0.035 0.000 0.989 16 N HN 0.425 nan 8.380 nan 0.000 0.426 17 I N -0.099 120.441 120.570 -0.050 0.000 2.252 17 I HA -0.193 4.637 4.170 1.099 0.000 0.245 17 I C 1.758 177.844 176.117 -0.052 0.000 1.102 17 I CA 0.736 62.007 61.300 -0.048 0.000 1.385 17 I CB -0.237 37.731 38.000 -0.053 0.000 1.064 17 I HN -0.011 nan 8.210 nan 0.000 0.414 18 V N 0.973 120.848 119.914 -0.064 0.000 2.295 18 V HA -0.290 4.489 4.120 1.099 0.000 0.246 18 V C 2.663 178.720 176.094 -0.063 0.000 1.049 18 V CA 2.051 64.310 62.300 -0.068 0.000 1.024 18 V CB -0.772 30.998 31.823 -0.088 0.000 0.648 18 V HN 0.423 nan 8.190 nan 0.000 0.447 19 R N 0.135 120.596 120.500 -0.065 0.000 2.083 19 R HA -0.213 4.786 4.340 1.099 0.000 0.237 19 R C 2.060 178.335 176.300 -0.041 0.000 1.137 19 R CA 2.277 58.343 56.100 -0.057 0.000 0.951 19 R CB -0.455 29.810 30.300 -0.058 0.000 0.851 19 R HN 0.485 nan 8.270 nan 0.000 0.434 20 D N -0.408 119.970 120.400 -0.036 0.000 2.123 20 D HA -0.134 5.166 4.640 1.099 0.000 0.196 20 D C 1.775 178.060 176.300 -0.025 0.000 0.992 20 D CA 1.856 55.840 54.000 -0.027 0.000 0.833 20 D CB -0.417 40.368 40.800 -0.025 0.000 0.954 20 D HN 0.308 nan 8.370 nan 0.000 0.455 21 T N 0.774 115.310 114.554 -0.029 0.000 2.746 21 T HA -0.062 4.948 4.350 1.099 0.000 0.267 21 T C 2.200 176.885 174.700 -0.024 0.000 1.039 21 T CA 0.619 62.704 62.100 -0.026 0.000 1.142 21 T CB -0.150 68.700 68.868 -0.030 0.000 0.866 21 T HN 0.181 nan 8.240 nan 0.000 0.444 22 I N 0.813 121.365 120.570 -0.030 0.000 2.315 22 I HA -0.119 4.710 4.170 1.099 0.000 0.248 22 I C 2.452 178.560 176.117 -0.016 0.000 1.117 22 I CA 0.750 62.035 61.300 -0.026 0.000 1.404 22 I CB -0.505 37.476 38.000 -0.033 0.000 1.071 22 I HN 0.082 nan 8.210 nan 0.000 0.419 23 V N 1.383 121.288 119.914 -0.015 0.000 2.332 23 V HA -0.313 4.466 4.120 1.099 0.000 0.248 23 V C 2.264 178.356 176.094 -0.005 0.000 1.055 23 V CA 2.481 64.777 62.300 -0.007 0.000 1.038 23 V CB -0.964 30.854 31.823 -0.008 0.000 0.651 23 V HN 0.502 nan 8.190 nan 0.000 0.450 24 N N 0.253 118.948 118.700 -0.008 0.000 2.142 24 N HA -0.208 5.191 4.740 1.099 0.000 0.186 24 N C 1.794 177.301 175.510 -0.005 0.000 1.023 24 N CA 1.638 54.684 53.050 -0.006 0.000 0.852 24 N CB -0.165 38.317 38.487 -0.008 0.000 0.998 24 N HN 0.461 nan 8.380 nan 0.000 0.424 25 E N 0.249 120.444 120.200 -0.008 0.000 2.150 25 E HA -0.010 4.999 4.350 1.099 0.000 0.193 25 E C 1.863 178.459 176.600 -0.006 0.000 0.985 25 E CA 0.764 57.158 56.400 -0.009 0.000 0.814 25 E CB -0.377 29.314 29.700 -0.016 0.000 0.752 25 E HN 0.455 nan 8.360 nan 0.000 0.466 26 L N 0.087 121.308 121.223 -0.004 0.000 2.187 26 L HA -0.137 4.862 4.340 1.099 0.000 0.213 26 L C 2.453 179.328 176.870 0.007 0.000 1.100 26 L CA 1.047 55.888 54.840 0.003 0.000 0.765 26 L CB -0.229 41.837 42.059 0.012 0.000 0.904 26 L HN 0.110 nan 8.230 nan 0.000 0.437 27 R N -0.658 119.845 120.500 0.006 0.000 2.148 27 R HA -0.102 4.897 4.340 1.099 0.000 0.227 27 R C 2.342 178.646 176.300 0.007 0.000 1.103 27 R CA 1.608 57.713 56.100 0.008 0.000 0.983 27 R CB -0.123 30.181 30.300 0.006 0.000 0.874 27 R HN 0.466 nan 8.270 nan 0.000 0.451 28 S N -1.053 114.649 115.700 0.004 0.000 2.506 28 S HA 0.012 5.142 4.470 1.099 0.000 0.219 28 S C 0.206 174.808 174.600 0.003 0.000 1.031 28 S CA -0.237 57.966 58.200 0.004 0.000 0.911 28 S CB 0.585 63.787 63.200 0.003 0.000 0.812 28 S HN 0.054 nan 8.310 nan 0.000 0.497 29 D N 2.051 122.451 120.400 -0.000 0.000 2.346 29 D HA 0.361 5.660 4.640 1.099 0.000 0.255 29 D C -2.270 174.025 176.300 -0.007 0.000 1.276 29 D CA -2.086 51.911 54.000 -0.005 0.000 0.941 29 D CB 1.937 42.730 40.800 -0.012 0.000 1.199 29 D HN -0.019 nan 8.370 nan 0.000 0.537 30 P HA -0.073 nan 4.420 nan 0.000 0.234 30 P C 1.044 178.338 177.300 -0.009 0.000 1.167 30 P CA 0.301 63.406 63.100 0.009 0.000 0.763 30 P CB 0.402 32.115 31.700 0.022 0.000 0.835 31 R N -0.470 120.011 120.500 -0.033 0.000 2.290 31 R HA 0.091 5.090 4.340 1.099 0.000 0.197 31 R C 2.006 178.233 176.300 -0.121 0.000 0.913 31 R CA -0.130 55.924 56.100 -0.078 0.000 1.040 31 R CB -0.467 29.802 30.300 -0.052 0.000 0.992 31 R HN -0.036 nan 8.270 nan 0.000 0.500 32 I N 1.350 121.870 120.570 -0.083 0.000 2.335 32 I HA -0.204 4.626 4.170 1.099 0.000 0.251 32 I C 1.959 178.010 176.117 -0.109 0.000 1.129 32 I CA 1.442 62.688 61.300 -0.090 0.000 1.402 32 I CB -0.195 37.771 38.000 -0.057 0.000 1.069 32 I HN 0.234 nan 8.210 nan 0.000 0.424 33 A N 0.268 123.028 122.820 -0.099 0.000 1.877 33 A HA -0.083 4.897 4.320 1.099 0.000 0.216 33 A C 2.515 179.979 177.584 -0.199 0.000 1.186 33 A CA 1.809 53.811 52.037 -0.059 0.000 0.620 33 A CB -1.286 17.763 19.000 0.082 0.000 0.822 33 A HN 0.505 nan 8.150 nan 0.000 0.443 34 A N -0.482 121.990 122.820 -0.579 0.000 1.877 34 A HA -0.072 4.908 4.320 1.099 0.000 0.216 34 A C 2.443 179.822 177.584 -0.341 0.000 1.186 34 A CA 2.090 53.573 52.037 -0.923 0.000 0.620 34 A CB -0.942 17.403 19.000 -1.092 0.000 0.822 34 A HN 0.458 nan 8.150 nan 0.000 0.443 35 S N -0.099 115.456 115.700 -0.243 0.000 2.370 35 S HA -0.132 4.997 4.470 1.099 0.000 0.226 35 S C 1.792 176.304 174.600 -0.147 0.000 1.033 35 S CA 1.562 59.660 58.200 -0.170 0.000 1.011 35 S CB -0.496 62.610 63.200 -0.157 0.000 0.852 35 S HN 0.540 nan 8.310 nan 0.000 0.457 36 I N 0.884 121.383 120.570 -0.118 0.000 2.315 36 I HA -0.147 4.683 4.170 1.099 0.000 0.248 36 I C 2.293 178.413 176.117 0.005 0.000 1.117 36 I CA 0.707 61.962 61.300 -0.075 0.000 1.404 36 I CB -0.292 37.671 38.000 -0.062 0.000 1.071 36 I HN 0.243 nan 8.210 nan 0.000 0.419 37 L N 1.068 122.323 121.223 0.053 0.000 2.046 37 L HA -0.196 4.804 4.340 1.099 0.000 0.208 37 L C 2.583 179.562 176.870 0.181 0.000 1.077 37 L CA 1.800 56.745 54.840 0.175 0.000 0.747 37 L CB -0.698 41.544 42.059 0.305 0.000 0.896 37 L HN 0.085 nan 8.230 nan 0.000 0.432 38 R N -0.761 119.783 120.500 0.074 0.000 2.115 38 R HA -0.108 4.891 4.340 1.099 0.000 0.230 38 R C 2.265 178.527 176.300 -0.064 0.000 1.111 38 R CA 1.466 57.580 56.100 0.022 0.000 0.976 38 R CB -0.261 29.977 30.300 -0.104 0.000 0.870 38 R HN 0.460 nan 8.270 nan 0.000 0.445 39 L N -0.616 120.574 121.223 -0.055 0.000 2.046 39 L HA -0.207 4.793 4.340 1.099 0.000 0.208 39 L C 2.521 179.452 176.870 0.102 0.000 1.077 39 L CA 1.543 56.363 54.840 -0.033 0.000 0.747 39 L CB -0.609 41.393 42.059 -0.096 0.000 0.896 39 L HN 0.341 nan 8.230 nan 0.000 0.432 40 H N -0.147 118.955 119.070 0.054 0.000 2.353 40 H HA -0.255 4.961 4.556 1.100 0.000 0.300 40 H C 1.935 177.367 175.328 0.173 0.000 1.090 40 H CA 1.804 57.911 56.048 0.099 0.000 1.327 40 H CB -0.223 29.595 29.762 0.094 0.000 1.383 40 H HN 0.269 nan 8.280 nan 0.000 0.508 41 F N 0.837 120.763 119.950 -0.040 0.000 2.069 41 F HA -0.196 4.985 4.527 1.090 0.000 0.298 41 F C 2.127 177.941 175.800 0.023 0.000 1.113 41 F CA 2.224 60.167 58.000 -0.096 0.000 1.214 41 F CB -1.116 37.825 39.000 -0.099 0.000 0.978 41 F HN 0.363 nan 8.300 nan 0.000 0.474 42 H N -1.424 117.367 119.070 -0.466 0.000 2.521 42 H HA -0.114 5.099 4.556 1.095 0.000 0.286 42 H C 1.567 176.783 175.328 -0.188 0.000 1.034 42 H CA 0.701 56.452 56.048 -0.494 0.000 1.278 42 H CB 0.017 29.593 29.762 -0.309 0.000 1.386 42 H HN 0.361 nan 8.280 nan 0.000 0.567 43 D N 0.294 120.712 120.400 0.030 0.000 2.110 43 D HA -0.102 5.197 4.640 1.099 0.000 0.202 43 D C 2.167 178.468 176.300 0.001 0.000 0.975 43 D CA 0.735 54.763 54.000 0.046 0.000 0.839 43 D CB -0.455 40.400 40.800 0.091 0.000 0.996 43 D HN 0.213 nan 8.370 nan 0.000 0.464 44 c N -0.053 118.524 118.600 -0.039 0.000 2.422 44 c HA -0.055 5.174 4.570 1.099 0.000 0.279 44 c C 2.280 176.385 174.090 0.025 0.000 1.305 44 c CA 0.144 56.457 56.329 -0.027 0.000 1.757 44 c CB -1.553 40.911 42.510 -0.077 0.000 1.962 44 c HN 0.271 nan 8.230 nan 0.000 0.499 45 F N 0.449 120.274 119.950 -0.208 0.000 2.811 45 F HA 0.160 5.348 4.527 1.101 0.000 0.301 45 F C 0.707 176.385 175.800 -0.205 0.000 1.151 45 F CA 0.610 58.475 58.000 -0.225 0.000 1.412 45 F CB -0.014 38.790 39.000 -0.326 0.000 1.113 45 F HN -0.046 nan 8.300 nan 0.000 0.579 46 V N 0.279 120.158 119.914 -0.058 0.000 2.398 46 V HA 0.228 5.008 4.120 1.099 0.000 0.282 46 V C 0.200 176.174 176.094 -0.201 0.000 1.014 46 V CA -1.020 61.213 62.300 -0.112 0.000 0.838 46 V CB 0.948 32.748 31.823 -0.038 0.000 1.018 46 V HN 0.275 nan 8.190 nan 0.000 0.432 47 N N 3.423 121.924 118.700 -0.332 0.000 2.753 47 N HA -0.157 5.243 4.740 1.099 0.000 0.251 47 N C 0.380 175.750 175.510 -0.234 0.000 1.097 47 N CA 2.014 54.806 53.050 -0.431 0.000 0.786 47 N CB -0.748 37.212 38.487 -0.878 0.000 1.137 47 N HN 1.849 nan 8.380 nan 0.000 0.566 48 G N -1.987 106.710 108.800 -0.172 0.000 2.756 48 G HA2 -0.230 4.389 3.960 1.099 0.000 0.678 48 G HA3 -0.230 4.389 3.960 1.099 0.000 0.678 48 G C 0.012 174.879 174.900 -0.056 0.000 1.349 48 G CA -0.404 44.628 45.100 -0.114 0.000 0.847 48 G HN 0.852 nan 8.290 nan 0.000 0.548 49 c N 1.353 119.936 118.600 -0.030 0.000 2.305 49 c HA 0.476 5.705 4.570 1.099 0.000 0.378 49 c C 0.929 175.043 174.090 0.039 0.000 1.047 49 c CA 0.148 56.489 56.329 0.020 0.000 1.385 49 c CB -1.342 41.207 42.510 0.065 0.000 1.825 49 c HN 0.780 nan 8.230 nan 0.000 0.508 50 D N 0.509 120.936 120.400 0.045 0.000 2.563 50 D HA 0.259 5.558 4.640 1.099 0.000 0.237 50 D C 1.103 177.447 176.300 0.072 0.000 1.282 50 D CA 0.250 54.281 54.000 0.052 0.000 0.816 50 D CB -0.217 40.614 40.800 0.052 0.000 1.066 50 D HN 0.574 nan 8.370 nan 0.000 0.501 51 A N 0.717 123.590 122.820 0.087 0.000 2.816 51 A HA -0.296 4.683 4.320 1.099 0.000 0.270 51 A C 1.899 179.537 177.584 0.089 0.000 1.413 51 A CA 1.457 53.551 52.037 0.096 0.000 0.866 51 A CB -2.590 16.459 19.000 0.082 0.000 1.032 51 A HN 0.769 nan 8.150 nan 0.000 0.642 52 S N -0.592 115.166 115.700 0.097 0.000 2.399 52 S HA -0.098 5.032 4.470 1.099 0.000 0.231 52 S C 1.723 176.365 174.600 0.069 0.000 1.022 52 S CA 1.254 59.504 58.200 0.084 0.000 0.983 52 S CB -0.530 62.801 63.200 0.217 0.000 0.803 52 S HN 1.259 nan 8.310 nan 0.000 0.480 53 I N 0.878 121.514 120.570 0.110 0.000 2.614 53 I HA -0.029 4.800 4.170 1.099 0.000 0.258 53 I C 1.708 177.906 176.117 0.135 0.000 1.189 53 I CA 0.998 62.378 61.300 0.133 0.000 1.462 53 I CB -0.060 38.054 38.000 0.191 0.000 1.092 53 I HN 0.317 nan 8.210 nan 0.000 0.442 54 L N 0.489 121.793 121.223 0.135 0.000 2.418 54 L HA 0.039 5.038 4.340 1.099 0.000 0.218 54 L C 0.821 177.697 176.870 0.009 0.000 1.125 54 L CA 0.014 54.925 54.840 0.117 0.000 0.835 54 L CB -0.350 41.800 42.059 0.152 0.000 0.953 54 L HN 0.128 nan 8.230 nan 0.000 0.454 55 L N 0.620 121.855 121.223 0.021 0.000 2.453 55 L HA 0.060 5.059 4.340 1.099 0.000 0.272 55 L C 0.090 176.970 176.870 0.016 0.000 1.182 55 L CA -0.013 54.854 54.840 0.045 0.000 0.858 55 L CB 0.310 42.429 42.059 0.098 0.000 1.120 55 L HN 0.048 nan 8.230 nan 0.000 0.474 56 D N 1.379 121.782 120.400 0.005 0.000 2.432 56 D HA 0.154 5.453 4.640 1.099 0.000 0.258 56 D C 0.090 176.377 176.300 -0.021 0.000 1.146 56 D CA -0.470 53.502 54.000 -0.046 0.000 1.015 56 D CB 0.602 41.357 40.800 -0.075 0.000 1.107 56 D HN 0.359 nan 8.370 nan 0.000 0.529 57 N N -0.123 118.533 118.700 -0.073 0.000 2.395 57 N HA 0.063 5.463 4.740 1.099 0.000 0.246 57 N C -0.070 175.286 175.510 -0.257 0.000 1.246 57 N CA 0.548 53.520 53.050 -0.129 0.000 0.879 57 N CB 0.452 38.876 38.487 -0.106 0.000 1.098 57 N HN 0.416 nan 8.380 nan 0.000 0.444 58 T N -3.503 110.786 114.554 -0.441 0.000 2.841 58 T HA 0.307 5.316 4.350 1.099 0.000 0.296 58 T C 1.097 175.571 174.700 -0.376 0.000 1.166 58 T CA -0.523 61.279 62.100 -0.496 0.000 1.007 58 T CB 0.900 69.248 68.868 -0.867 0.000 1.253 58 T HN 0.420 nan 8.240 nan 0.000 0.511 59 T N -1.221 113.171 114.554 -0.270 0.000 3.072 59 T HA 0.007 5.016 4.350 1.099 0.000 0.266 59 T C 1.831 176.434 174.700 -0.163 0.000 1.127 59 T CA 1.155 63.150 62.100 -0.175 0.000 1.107 59 T CB -0.627 68.169 68.868 -0.119 0.000 0.910 59 T HN 0.788 nan 8.240 nan 0.000 0.513 60 S N 0.663 116.221 115.700 -0.237 0.000 2.483 60 S HA 0.358 5.488 4.470 1.099 0.000 0.221 60 S C 0.221 174.804 174.600 -0.029 0.000 1.030 60 S CA -0.821 57.305 58.200 -0.123 0.000 0.925 60 S CB -0.452 62.701 63.200 -0.078 0.000 0.795 60 S HN 0.702 nan 8.310 nan 0.000 0.511 61 F N 0.218 120.123 119.950 -0.076 0.000 2.619 61 F HA 0.812 5.997 4.527 1.097 0.000 0.308 61 F C -0.682 175.062 175.800 -0.092 0.000 1.097 61 F CA -1.646 56.297 58.000 -0.096 0.000 0.953 61 F CB 0.902 39.812 39.000 -0.149 0.000 1.287 61 F HN -0.308 nan 8.300 nan 0.000 0.446 62 R N 1.101 121.723 120.500 0.204 0.000 2.531 62 R HA 0.369 5.369 4.340 1.099 0.000 0.273 62 R C -0.057 176.342 176.300 0.166 0.000 1.070 62 R CA -0.581 55.583 56.100 0.107 0.000 1.112 62 R CB 1.299 31.620 30.300 0.037 0.000 1.049 62 R HN 0.935 nan 8.270 nan 0.000 0.508 63 T N 0.169 114.770 114.554 0.078 0.000 2.907 63 T HA 0.059 5.068 4.350 1.099 0.000 0.298 63 T C 0.989 175.693 174.700 0.005 0.000 1.017 63 T CA -0.223 61.908 62.100 0.051 0.000 1.118 63 T CB 0.477 69.335 68.868 -0.018 0.000 0.948 63 T HN 0.471 nan 8.240 nan 0.000 0.531 64 E N 2.101 122.304 120.200 0.005 0.000 2.418 64 E HA -0.048 4.962 4.350 1.099 0.000 0.197 64 E C 1.804 178.407 176.600 0.005 0.000 1.026 64 E CA 0.576 56.982 56.400 0.010 0.000 0.862 64 E CB 0.164 29.889 29.700 0.042 0.000 0.799 64 E HN 0.637 nan 8.360 nan 0.000 0.518 65 K N 0.636 121.019 120.400 -0.028 0.000 2.362 65 K HA -0.099 4.881 4.320 1.099 0.000 0.200 65 K C 0.680 177.271 176.600 -0.015 0.000 1.046 65 K CA 0.730 57.000 56.287 -0.029 0.000 0.952 65 K CB 0.197 32.594 32.500 -0.171 0.000 0.753 65 K HN 0.037 nan 8.250 nan 0.000 0.466 66 D N 0.428 120.799 120.400 -0.048 0.000 2.342 66 D HA 0.099 5.399 4.640 1.099 0.000 0.221 66 D C -0.071 176.127 176.300 -0.171 0.000 1.101 66 D CA 0.077 54.026 54.000 -0.085 0.000 0.837 66 D CB 0.330 41.076 40.800 -0.090 0.000 0.938 66 D HN 0.122 nan 8.370 nan 0.000 0.508 67 A N -0.250 122.495 122.820 -0.125 0.000 2.332 67 A HA 0.234 5.214 4.320 1.099 0.000 0.258 67 A C 0.783 178.276 177.584 -0.152 0.000 1.087 67 A CA -0.341 51.586 52.037 -0.184 0.000 0.802 67 A CB 0.162 19.128 19.000 -0.058 0.000 1.042 67 A HN -0.003 nan 8.150 nan 0.000 0.489 68 F N 1.270 121.265 119.950 0.076 0.000 2.202 68 F HA -0.052 5.161 4.527 1.144 0.000 0.301 68 F C 2.375 178.242 175.800 0.111 0.000 1.082 68 F CA 1.907 59.974 58.000 0.111 0.000 1.313 68 F CB -0.522 38.556 39.000 0.129 0.000 1.024 68 F HN 0.622 nan 8.300 nan 0.000 0.495 69 G N -1.235 107.677 108.800 0.187 0.000 2.777 69 G HA2 -0.090 4.529 3.960 1.099 0.000 0.211 69 G HA3 -0.090 4.529 3.960 1.099 0.000 0.211 69 G C 1.472 176.483 174.900 0.185 0.000 1.149 69 G CA 0.299 45.457 45.100 0.098 0.000 0.785 69 G HN 0.235 nan 8.290 nan 0.000 0.536 70 N N 0.455 119.253 118.700 0.163 0.000 2.516 70 N HA 0.140 5.539 4.740 1.099 0.000 0.197 70 N C 1.219 176.842 175.510 0.190 0.000 1.064 70 N CA 0.295 53.474 53.050 0.216 0.000 0.866 70 N CB 0.143 38.748 38.487 0.197 0.000 1.255 70 N HN 0.183 nan 8.380 nan 0.000 0.447 71 A N 1.850 124.751 122.820 0.135 0.000 2.567 71 A HA 0.051 5.030 4.320 1.099 0.000 0.240 71 A C 0.769 178.445 177.584 0.154 0.000 1.053 71 A CA 0.191 52.297 52.037 0.114 0.000 0.755 71 A CB -0.497 18.540 19.000 0.061 0.000 0.978 71 A HN 0.485 nan 8.150 nan 0.000 0.507 72 N N 0.461 119.241 118.700 0.133 0.000 2.727 72 N HA -0.191 5.209 4.740 1.099 0.000 0.249 72 N C 0.309 175.917 175.510 0.163 0.000 1.048 72 N CA 1.667 54.794 53.050 0.129 0.000 0.714 72 N CB -1.007 37.543 38.487 0.106 0.000 0.959 72 N HN 0.797 nan 8.380 nan 0.000 0.544 73 S N -2.257 113.550 115.700 0.179 0.000 4.428 73 S HA 0.504 5.633 4.470 1.099 0.000 0.199 73 S C -0.034 174.647 174.600 0.135 0.000 1.156 73 S CA 0.447 58.760 58.200 0.187 0.000 1.134 73 S CB -0.487 62.863 63.200 0.250 0.000 1.531 73 S HN 0.705 nan 8.310 nan 0.000 0.551 74 A N 3.262 126.178 122.820 0.159 0.000 2.498 74 A HA 0.596 5.576 4.320 1.099 0.000 0.239 74 A C 0.313 177.926 177.584 0.048 0.000 1.068 74 A CA 0.056 52.148 52.037 0.091 0.000 0.766 74 A CB -0.124 19.020 19.000 0.240 0.000 1.003 74 A HN 0.721 nan 8.150 nan 0.000 0.497 75 R N 0.488 120.866 120.500 -0.204 0.000 2.766 75 R HA 0.726 5.725 4.340 1.099 0.000 0.270 75 R C 0.404 176.434 176.300 -0.450 0.000 1.035 75 R CA -0.403 55.559 56.100 -0.229 0.000 0.911 75 R CB 0.618 30.880 30.300 -0.064 0.000 1.243 75 R HN 1.996 nan 8.270 nan 0.000 0.460 76 G N -0.260 108.367 108.800 -0.288 0.000 2.176 76 G HA2 -0.258 4.362 3.960 1.099 0.000 0.232 76 G HA3 -0.258 4.362 3.960 1.099 0.000 0.232 76 G C 0.205 174.974 174.900 -0.218 0.000 0.986 76 G CA 0.215 45.171 45.100 -0.239 0.000 0.643 76 G HN 0.452 nan 8.290 nan 0.000 0.522 77 F N 1.417 121.374 119.950 0.011 0.000 2.120 77 F HA 0.037 5.219 4.527 1.093 0.000 0.300 77 F C 0.636 176.441 175.800 0.008 0.000 1.095 77 F CA 2.025 60.033 58.000 0.013 0.000 1.249 77 F CB -1.487 37.523 39.000 0.018 0.000 0.995 77 F HN 0.251 nan 8.300 nan 0.000 0.480 78 P HA -0.092 nan 4.420 nan 0.000 0.221 78 P C 1.866 179.197 177.300 0.051 0.000 1.150 78 P CA 1.078 64.236 63.100 0.096 0.000 0.800 78 P CB 0.028 31.773 31.700 0.074 0.000 0.787 79 V N -0.223 119.706 119.914 0.025 0.000 2.427 79 V HA -0.188 4.591 4.120 1.099 0.000 0.248 79 V C 2.242 178.337 176.094 0.002 0.000 1.051 79 V CA 1.395 63.694 62.300 -0.001 0.000 1.048 79 V CB -0.989 30.817 31.823 -0.027 0.000 0.666 79 V HN 0.056 nan 8.190 nan 0.000 0.456 80 I N 0.212 120.791 120.570 0.014 0.000 2.315 80 I HA -0.163 4.667 4.170 1.099 0.000 0.248 80 I C 2.275 178.412 176.117 0.034 0.000 1.117 80 I CA 1.447 62.761 61.300 0.023 0.000 1.404 80 I CB -1.246 36.786 38.000 0.054 0.000 1.071 80 I HN 0.338 nan 8.210 nan 0.000 0.419 81 D N 0.500 120.931 120.400 0.052 0.000 2.117 81 D HA -0.199 5.100 4.640 1.099 0.000 0.197 81 D C 2.277 178.589 176.300 0.020 0.000 0.987 81 D CA 0.997 55.022 54.000 0.042 0.000 0.829 81 D CB -0.181 40.649 40.800 0.050 0.000 0.961 81 D HN 0.294 nan 8.370 nan 0.000 0.460 82 R N 0.551 121.060 120.500 0.015 0.000 2.073 82 R HA -0.119 4.880 4.340 1.099 0.000 0.234 82 R C 2.561 178.857 176.300 -0.007 0.000 1.134 82 R CA 1.582 57.684 56.100 0.003 0.000 0.952 82 R CB -0.153 30.148 30.300 0.001 0.000 0.850 82 R HN 0.235 nan 8.270 nan 0.000 0.433 83 M N -0.320 119.273 119.600 -0.012 0.000 2.229 83 M HA -0.029 5.110 4.480 1.099 0.000 0.264 83 M C 2.007 178.291 176.300 -0.027 0.000 1.063 83 M CA 1.680 56.965 55.300 -0.024 0.000 1.114 83 M CB -0.266 32.314 32.600 -0.033 0.000 1.387 83 M HN -0.144 nan 8.290 nan 0.000 0.420 84 K N 1.602 121.993 120.400 -0.016 0.000 2.026 84 K HA 0.013 4.993 4.320 1.099 0.000 0.208 84 K C 2.047 178.637 176.600 -0.018 0.000 1.048 84 K CA 2.094 58.371 56.287 -0.017 0.000 0.929 84 K CB -0.752 31.749 32.500 0.001 0.000 0.713 84 K HN 0.427 nan 8.250 nan 0.000 0.439 85 A N 0.522 123.336 122.820 -0.010 0.000 1.933 85 A HA -0.034 4.945 4.320 1.099 0.000 0.218 85 A C 2.386 179.960 177.584 -0.016 0.000 1.175 85 A CA 2.055 54.086 52.037 -0.009 0.000 0.628 85 A CB -1.064 17.934 19.000 -0.004 0.000 0.814 85 A HN 0.454 nan 8.150 nan 0.000 0.444 86 A N -0.684 122.124 122.820 -0.020 0.000 1.898 86 A HA 0.031 5.011 4.320 1.099 0.000 0.216 86 A C 2.199 179.762 177.584 -0.034 0.000 1.181 86 A CA 1.723 53.745 52.037 -0.025 0.000 0.620 86 A CB -0.808 18.176 19.000 -0.026 0.000 0.819 86 A HN 0.384 nan 8.150 nan 0.000 0.442 87 V N 0.133 120.020 119.914 -0.045 0.000 2.453 87 V HA -0.156 4.623 4.120 1.099 0.000 0.247 87 V C 2.479 178.540 176.094 -0.055 0.000 1.048 87 V CA 1.865 64.127 62.300 -0.064 0.000 1.049 87 V CB -0.629 31.140 31.823 -0.091 0.000 0.672 87 V HN 0.475 nan 8.190 nan 0.000 0.457 88 E N -0.101 120.076 120.200 -0.039 0.000 2.150 88 E HA -0.164 4.845 4.350 1.099 0.000 0.193 88 E C 2.486 179.073 176.600 -0.022 0.000 0.985 88 E CA 1.470 57.854 56.400 -0.027 0.000 0.814 88 E CB -0.317 29.373 29.700 -0.016 0.000 0.752 88 E HN 0.543 nan 8.360 nan 0.000 0.466 89 S N 0.104 115.791 115.700 -0.022 0.000 2.371 89 S HA -0.059 5.071 4.470 1.099 0.000 0.224 89 S C 1.999 176.587 174.600 -0.020 0.000 1.029 89 S CA 1.157 59.347 58.200 -0.017 0.000 0.978 89 S CB 0.028 63.219 63.200 -0.016 0.000 0.833 89 S HN 0.287 nan 8.310 nan 0.000 0.466 90 A N 0.256 123.059 122.820 -0.027 0.000 1.929 90 A HA 0.084 5.064 4.320 1.099 0.000 0.216 90 A C 1.430 178.997 177.584 -0.029 0.000 1.176 90 A CA 1.055 53.075 52.037 -0.028 0.000 0.628 90 A CB -0.695 18.283 19.000 -0.036 0.000 0.816 90 A HN 1.044 nan 8.150 nan 0.000 0.444 91 c N -3.213 115.365 118.600 -0.036 0.000 3.287 91 c HA 0.587 5.816 4.570 1.099 0.000 0.260 91 c C -3.227 170.848 174.090 -0.025 0.000 1.133 91 c CA -2.823 53.487 56.329 -0.031 0.000 1.402 91 c CB -0.029 42.455 42.510 -0.044 0.000 1.832 91 c HN 0.158 nan 8.230 nan 0.000 0.509 92 P HA 0.079 nan 4.420 nan 0.000 0.261 92 P C 0.373 177.677 177.300 0.006 0.000 1.173 92 P CA 1.051 64.148 63.100 -0.005 0.000 0.760 92 P CB 0.262 31.961 31.700 -0.001 0.000 0.783 93 R N 0.622 121.127 120.500 0.010 0.000 3.387 93 R HA -0.192 4.807 4.340 1.099 0.000 0.254 93 R C 0.415 176.744 176.300 0.047 0.000 1.006 93 R CA 0.936 57.052 56.100 0.026 0.000 0.677 93 R CB -2.704 27.613 30.300 0.028 0.000 1.063 93 R HN 0.527 nan 8.270 nan 0.000 0.453 94 T N -1.559 113.018 114.554 0.038 0.000 3.138 94 T HA 0.127 5.136 4.350 1.099 0.000 0.245 94 T C 0.660 175.435 174.700 0.125 0.000 0.982 94 T CA 0.364 62.517 62.100 0.087 0.000 1.134 94 T CB 0.636 69.531 68.868 0.045 0.000 1.032 94 T HN 0.056 nan 8.240 nan 0.000 0.442 95 V N 4.359 124.227 119.914 -0.076 0.000 2.406 95 V HA 0.436 5.216 4.120 1.099 0.000 0.272 95 V C 0.512 176.602 176.094 -0.007 0.000 1.043 95 V CA -1.045 61.133 62.300 -0.205 0.000 0.915 95 V CB 0.892 32.437 31.823 -0.462 0.000 0.988 95 V HN 0.583 nan 8.190 nan 0.000 0.466 96 S N 3.419 119.187 115.700 0.114 0.000 2.593 96 S HA 0.061 5.190 4.470 1.099 0.000 0.269 96 S C 1.204 175.832 174.600 0.047 0.000 1.334 96 S CA -0.433 57.818 58.200 0.086 0.000 1.015 96 S CB 0.857 64.118 63.200 0.102 0.000 0.912 96 S HN 0.725 nan 8.310 nan 0.000 0.541 97 c N 1.377 120.004 118.600 0.045 0.000 2.435 97 c HA 0.058 5.287 4.570 1.099 0.000 0.279 97 c C 3.123 177.245 174.090 0.054 0.000 1.321 97 c CA 0.831 57.185 56.329 0.042 0.000 1.752 97 c CB -2.085 40.457 42.510 0.053 0.000 1.959 97 c HN 1.010 nan 8.230 nan 0.000 0.500 98 A N 0.803 123.660 122.820 0.063 0.000 1.902 98 A HA -0.215 4.764 4.320 1.099 0.000 0.217 98 A C 1.818 179.444 177.584 0.069 0.000 1.181 98 A CA 2.223 54.305 52.037 0.075 0.000 0.623 98 A CB -0.565 18.471 19.000 0.060 0.000 0.818 98 A HN 0.506 nan 8.150 nan 0.000 0.443 99 D N -0.705 119.732 120.400 0.062 0.000 2.123 99 D HA -0.080 5.220 4.640 1.099 0.000 0.200 99 D C 1.865 178.175 176.300 0.016 0.000 0.976 99 D CA 0.980 55.021 54.000 0.069 0.000 0.831 99 D CB -0.353 40.568 40.800 0.202 0.000 0.974 99 D HN 0.303 nan 8.370 nan 0.000 0.469 100 L N 0.557 121.778 121.223 -0.003 0.000 2.012 100 L HA -0.153 4.847 4.340 1.099 0.000 0.210 100 L C 2.084 178.921 176.870 -0.054 0.000 1.073 100 L CA 1.338 56.151 54.840 -0.045 0.000 0.748 100 L CB -0.559 41.477 42.059 -0.038 0.000 0.891 100 L HN 0.040 nan 8.230 nan 0.000 0.431 101 L N -1.284 119.926 121.223 -0.020 0.000 2.141 101 L HA -0.138 4.862 4.340 1.099 0.000 0.209 101 L C 2.249 179.021 176.870 -0.163 0.000 1.094 101 L CA 2.210 57.035 54.840 -0.024 0.000 0.763 101 L CB -0.979 41.128 42.059 0.079 0.000 0.908 101 L HN 0.328 nan 8.230 nan 0.000 0.437 102 T N -0.234 114.189 114.554 -0.218 0.000 2.737 102 T HA -0.093 4.916 4.350 1.099 0.000 0.265 102 T C 1.973 176.435 174.700 -0.396 0.000 1.038 102 T CA 1.882 63.664 62.100 -0.530 0.000 1.144 102 T CB -0.237 68.499 68.868 -0.221 0.000 0.866 102 T HN 0.314 nan 8.240 nan 0.000 0.434 103 I N 1.470 121.900 120.570 -0.234 0.000 2.226 103 I HA -0.151 4.678 4.170 1.099 0.000 0.245 103 I C 2.942 178.921 176.117 -0.230 0.000 1.100 103 I CA 1.010 62.173 61.300 -0.228 0.000 1.374 103 I CB -0.507 37.406 38.000 -0.146 0.000 1.057 103 I HN 0.184 nan 8.210 nan 0.000 0.413 104 A N 0.884 123.596 122.820 -0.179 0.000 1.933 104 A HA -0.166 4.813 4.320 1.099 0.000 0.218 104 A C 2.553 180.051 177.584 -0.143 0.000 1.175 104 A CA 1.895 53.850 52.037 -0.138 0.000 0.628 104 A CB -0.744 18.200 19.000 -0.095 0.000 0.814 104 A HN 0.437 nan 8.150 nan 0.000 0.444 105 A N -1.013 121.696 122.820 -0.185 0.000 1.873 105 A HA -0.199 4.780 4.320 1.099 0.000 0.215 105 A C 2.227 179.729 177.584 -0.135 0.000 1.186 105 A CA 1.769 53.736 52.037 -0.116 0.000 0.616 105 A CB -0.532 18.370 19.000 -0.163 0.000 0.823 105 A HN 0.556 nan 8.150 nan 0.000 0.442 106 Q N -0.672 118.944 119.800 -0.306 0.000 2.050 106 Q HA -0.216 4.783 4.340 1.099 0.000 0.202 106 Q C 2.044 177.798 176.000 -0.409 0.000 0.980 106 Q CA 1.802 57.275 55.803 -0.549 0.000 0.840 106 Q CB -0.335 27.797 28.738 -1.010 0.000 0.898 106 Q HN 0.646 nan 8.270 nan 0.000 0.424 107 Q N 0.046 119.664 119.800 -0.303 0.000 2.124 107 Q HA -0.066 4.934 4.340 1.099 0.000 0.202 107 Q C 2.233 178.157 176.000 -0.127 0.000 0.977 107 Q CA 1.382 57.062 55.803 -0.204 0.000 0.850 107 Q CB -0.248 28.395 28.738 -0.159 0.000 0.901 107 Q HN 0.303 nan 8.270 nan 0.000 0.429 108 S N 0.355 116.001 115.700 -0.089 0.000 2.356 108 S HA -0.100 5.029 4.470 1.099 0.000 0.223 108 S C 2.192 176.805 174.600 0.022 0.000 1.032 108 S CA 1.121 59.320 58.200 -0.001 0.000 1.005 108 S CB -0.212 63.010 63.200 0.038 0.000 0.867 108 S HN 0.144 nan 8.310 nan 0.000 0.449 109 V N 1.698 121.564 119.914 -0.081 0.000 2.295 109 V HA -0.191 4.589 4.120 1.099 0.000 0.246 109 V C 2.523 178.417 176.094 -0.334 0.000 1.049 109 V CA 2.151 64.242 62.300 -0.350 0.000 1.024 109 V CB -1.307 30.227 31.823 -0.481 0.000 0.648 109 V HN 0.516 nan 8.190 nan 0.000 0.447 110 T N 0.338 114.764 114.554 -0.213 0.000 2.708 110 T HA -0.133 4.877 4.350 1.099 0.000 0.266 110 T C 1.893 176.551 174.700 -0.070 0.000 1.037 110 T CA 1.470 63.483 62.100 -0.145 0.000 1.146 110 T CB -0.322 68.469 68.868 -0.127 0.000 0.865 110 T HN 0.289 nan 8.240 nan 0.000 0.435 111 L N 0.705 121.902 121.223 -0.043 0.000 2.131 111 L HA -0.047 4.952 4.340 1.099 0.000 0.210 111 L C 2.658 179.559 176.870 0.051 0.000 1.092 111 L CA 0.944 55.787 54.840 0.005 0.000 0.759 111 L CB -0.475 41.589 42.059 0.009 0.000 0.903 111 L HN 0.239 nan 8.230 nan 0.000 0.435 112 A N -0.775 122.093 122.820 0.079 0.000 2.238 112 A HA 0.322 5.301 4.320 1.099 0.000 0.208 112 A C 1.645 179.305 177.584 0.127 0.000 1.177 112 A CA 0.741 52.874 52.037 0.159 0.000 0.804 112 A CB -0.337 18.853 19.000 0.317 0.000 0.823 112 A HN 0.525 nan 8.150 nan 0.000 0.482 113 G N -2.264 106.581 108.800 0.074 0.000 2.179 113 G HA2 -0.021 4.598 3.960 1.099 0.000 0.220 113 G HA3 -0.021 4.598 3.960 1.099 0.000 0.220 113 G C 0.736 175.714 174.900 0.129 0.000 0.990 113 G CA 0.173 45.342 45.100 0.114 0.000 0.646 113 G HN 1.265 nan 8.290 nan 0.000 0.517 114 G N 0.259 109.009 108.800 -0.082 0.000 2.535 114 G HA2 0.700 5.319 3.960 1.099 0.000 0.282 114 G HA3 0.700 5.319 3.960 1.099 0.000 0.282 114 G C -1.609 172.966 174.900 -0.541 0.000 1.350 114 G CA -0.392 44.417 45.100 -0.485 0.000 1.039 114 G HN 0.291 nan 8.290 nan 0.000 0.509 115 P HA 0.181 nan 4.420 nan 0.000 0.272 115 P C -0.579 176.750 177.300 0.048 0.000 1.230 115 P CA -0.010 62.889 63.100 -0.335 0.000 0.788 115 P CB 1.434 32.869 31.700 -0.443 0.000 0.949 116 S N 1.626 117.415 115.700 0.150 0.000 2.478 116 S HA 0.744 5.873 4.470 1.099 0.000 0.312 116 S C -1.399 173.393 174.600 0.320 0.000 1.094 116 S CA -0.594 57.705 58.200 0.166 0.000 1.081 116 S CB 0.015 63.246 63.200 0.051 0.000 1.007 116 S HN 0.623 nan 8.310 nan 0.000 0.475 117 W N 3.510 124.759 121.300 -0.084 0.000 3.066 117 W HA 0.614 5.932 4.660 1.097 0.000 0.330 117 W C -1.794 174.693 176.519 -0.053 0.000 1.253 117 W CA -1.101 56.206 57.345 -0.062 0.000 1.187 117 W CB 0.608 30.026 29.460 -0.069 0.000 1.434 117 W HN 0.483 nan 8.180 nan 0.000 0.572 118 R N 2.664 123.151 120.500 -0.022 0.000 2.207 118 R HA 0.458 5.458 4.340 1.099 0.000 0.334 118 R C 0.076 176.322 176.300 -0.090 0.000 1.013 118 R CA -0.823 55.195 56.100 -0.137 0.000 0.858 118 R CB 1.467 31.756 30.300 -0.018 0.000 1.094 118 R HN 0.534 nan 8.270 nan 0.000 0.457 119 V N 1.419 121.179 119.914 -0.257 0.000 2.775 119 V HA 0.349 5.129 4.120 1.099 0.000 0.299 119 V C -2.246 173.853 176.094 0.008 0.000 1.062 119 V CA -2.246 60.012 62.300 -0.070 0.000 1.063 119 V CB 0.646 32.372 31.823 -0.161 0.000 0.994 119 V HN 0.540 nan 8.190 nan 0.000 0.483 120 P HA 0.422 nan 4.420 nan 0.000 0.268 120 P C -0.678 176.610 177.300 -0.020 0.000 1.205 120 P CA 0.150 63.264 63.100 0.022 0.000 0.771 120 P CB 0.529 32.246 31.700 0.029 0.000 0.858 121 L N 1.134 122.318 121.223 -0.066 0.000 2.277 121 L HA 0.770 5.769 4.340 1.099 0.000 0.254 121 L C 1.103 177.669 176.870 -0.507 0.000 1.044 121 L CA -0.564 54.174 54.840 -0.169 0.000 0.842 121 L CB 1.877 43.901 42.059 -0.057 0.000 1.422 121 L HN 0.619 nan 8.230 nan 0.000 0.422 122 G N 0.140 108.402 108.800 -0.896 0.000 2.198 122 G HA2 -0.135 4.484 3.960 1.099 0.000 0.156 122 G HA3 -0.135 4.484 3.960 1.099 0.000 0.156 122 G C 0.041 174.535 174.900 -0.677 0.000 1.012 122 G CA -0.671 43.501 45.100 -1.547 0.000 0.692 122 G HN 0.445 nan 8.290 nan 0.000 0.492 123 R N 0.229 120.521 120.500 -0.346 0.000 2.641 123 R HA 0.690 5.689 4.340 1.099 0.000 0.269 123 R C 0.568 176.813 176.300 -0.092 0.000 1.074 123 R CA 0.086 56.093 56.100 -0.155 0.000 1.133 123 R CB 0.627 30.892 30.300 -0.059 0.000 1.029 123 R HN 0.263 nan 8.270 nan 0.000 0.488 124 R N 0.287 120.762 120.500 -0.042 0.000 2.919 124 R HA 0.268 5.268 4.340 1.099 0.000 0.260 124 R C -0.994 175.319 176.300 0.023 0.000 1.067 124 R CA -0.996 55.107 56.100 0.004 0.000 1.003 124 R CB 1.321 31.626 30.300 0.008 0.000 1.192 124 R HN 0.517 nan 8.270 nan 0.000 0.488 125 D N 0.912 121.334 120.400 0.037 0.000 2.255 125 D HA 0.083 5.383 4.640 1.099 0.000 0.249 125 D C 0.089 176.412 176.300 0.038 0.000 1.078 125 D CA -0.026 53.999 54.000 0.041 0.000 0.896 125 D CB 1.514 42.341 40.800 0.045 0.000 1.194 125 D HN 0.485 nan 8.370 nan 0.000 0.429 126 S N 1.074 116.800 115.700 0.043 0.000 2.576 126 S HA 0.113 5.242 4.470 1.099 0.000 0.272 126 S C 0.962 175.559 174.600 -0.005 0.000 1.352 126 S CA -0.412 57.813 58.200 0.042 0.000 1.021 126 S CB 0.609 63.862 63.200 0.087 0.000 0.887 126 S HN 0.450 nan 8.310 nan 0.000 0.542 127 L N 1.000 122.205 121.223 -0.030 0.000 2.667 127 L HA 0.297 5.296 4.340 1.099 0.000 0.232 127 L C 0.713 177.481 176.870 -0.169 0.000 1.138 127 L CA -0.190 54.623 54.840 -0.045 0.000 0.921 127 L CB -0.694 41.361 42.059 -0.007 0.000 1.180 127 L HN 0.837 nan 8.230 nan 0.000 0.487 128 Q N -1.199 118.349 119.800 -0.421 0.000 2.756 128 Q HA 0.738 5.738 4.340 1.099 0.000 0.295 128 Q C -1.596 173.627 176.000 -1.296 0.000 0.903 128 Q CA -0.948 54.198 55.803 -1.095 0.000 0.768 128 Q CB 1.999 30.154 28.738 -0.973 0.000 1.472 128 Q HN -0.081 nan 8.270 nan 0.000 0.416 129 A N 0.609 122.371 122.820 -1.762 0.000 2.330 129 A HA 0.851 5.831 4.320 1.099 0.000 0.329 129 A C -1.400 175.549 177.584 -1.058 0.000 1.135 129 A CA -0.690 50.752 52.037 -0.991 0.000 0.817 129 A CB 0.729 19.457 19.000 -0.453 0.000 1.269 129 A HN 0.527 nan 8.150 nan 0.000 0.469 130 F N 2.003 121.853 119.950 -0.167 0.000 2.564 130 F HA 0.274 5.459 4.527 1.095 0.000 0.361 130 F C 0.805 176.574 175.800 -0.051 0.000 1.161 130 F CA -0.479 57.461 58.000 -0.100 0.000 1.198 130 F CB 1.164 40.111 39.000 -0.090 0.000 1.424 130 F HN 0.499 nan 8.300 nan 0.000 0.517 131 L N 1.152 122.419 121.223 0.072 0.000 2.017 131 L HA -0.116 4.883 4.340 1.099 0.000 0.208 131 L C 1.856 178.764 176.870 0.063 0.000 1.073 131 L CA 2.132 57.000 54.840 0.047 0.000 0.745 131 L CB -0.368 41.700 42.059 0.015 0.000 0.894 131 L HN 0.359 nan 8.230 nan 0.000 0.432 132 D N -0.539 119.911 120.400 0.084 0.000 2.117 132 D HA -0.196 5.103 4.640 1.099 0.000 0.197 132 D C 2.212 178.571 176.300 0.099 0.000 0.987 132 D CA 1.442 55.499 54.000 0.094 0.000 0.829 132 D CB -0.152 40.704 40.800 0.093 0.000 0.961 132 D HN 0.304 nan 8.370 nan 0.000 0.460 133 L N 0.890 122.177 121.223 0.107 0.000 2.093 133 L HA -0.052 4.948 4.340 1.099 0.000 0.208 133 L C 2.157 179.054 176.870 0.045 0.000 1.085 133 L CA 1.394 56.270 54.840 0.061 0.000 0.755 133 L CB -0.629 41.441 42.059 0.018 0.000 0.904 133 L HN -0.061 nan 8.230 nan 0.000 0.435 134 A N -0.655 122.198 122.820 0.055 0.000 1.898 134 A HA -0.190 4.789 4.320 1.099 0.000 0.216 134 A C 2.062 179.666 177.584 0.034 0.000 1.181 134 A CA 1.705 53.748 52.037 0.011 0.000 0.620 134 A CB -0.670 18.332 19.000 0.003 0.000 0.819 134 A HN 0.554 nan 8.150 nan 0.000 0.442 135 N N 0.318 119.074 118.700 0.094 0.000 2.244 135 N HA -0.061 5.338 4.740 1.099 0.000 0.183 135 N C 1.730 177.358 175.510 0.196 0.000 1.016 135 N CA 1.439 54.614 53.050 0.208 0.000 0.866 135 N CB -0.393 38.272 38.487 0.297 0.000 0.980 135 N HN 0.496 nan 8.380 nan 0.000 0.430 136 A N 0.592 123.496 122.820 0.141 0.000 1.935 136 A HA 0.051 5.030 4.320 1.099 0.000 0.214 136 A C 1.878 179.544 177.584 0.136 0.000 1.178 136 A CA 0.878 52.997 52.037 0.137 0.000 0.640 136 A CB -0.079 18.980 19.000 0.099 0.000 0.825 136 A HN 0.160 nan 8.150 nan 0.000 0.447 137 N N -0.267 118.488 118.700 0.091 0.000 2.395 137 N HA 0.146 5.545 4.740 1.099 0.000 0.175 137 N C 0.148 175.738 175.510 0.134 0.000 1.029 137 N CA 0.227 53.337 53.050 0.101 0.000 0.897 137 N CB -0.198 38.307 38.487 0.030 0.000 0.991 137 N HN 0.379 nan 8.380 nan 0.000 0.441 138 L N 3.360 124.582 121.223 -0.002 0.000 2.360 138 L HA 0.239 5.239 4.340 1.099 0.000 0.276 138 L C -1.863 174.925 176.870 -0.136 0.000 1.121 138 L CA -1.493 53.243 54.840 -0.173 0.000 0.845 138 L CB 0.390 42.191 42.059 -0.429 0.000 1.143 138 L HN -0.033 nan 8.230 nan 0.000 0.452 139 P HA 0.209 nan 4.420 nan 0.000 0.272 139 P C -0.969 175.848 177.300 -0.805 0.000 1.223 139 P CA -0.410 62.425 63.100 -0.442 0.000 0.784 139 P CB 1.385 33.096 31.700 0.018 0.000 0.923 140 A N 3.209 125.000 122.820 -1.715 0.000 2.337 140 A HA 0.574 5.554 4.320 1.099 0.000 0.331 140 A C -1.591 175.422 177.584 -0.950 0.000 1.137 140 A CA -1.741 49.527 52.037 -1.281 0.000 0.807 140 A CB 0.643 18.605 19.000 -1.730 0.000 1.250 140 A HN 0.366 nan 8.150 nan 0.000 0.468 141 P HA -0.136 nan 4.420 nan 0.000 0.221 141 P C 0.708 178.028 177.300 0.033 0.000 1.145 141 P CA 1.296 64.300 63.100 -0.159 0.000 0.795 141 P CB -0.145 31.514 31.700 -0.068 0.000 0.775 142 F N -3.587 116.462 119.950 0.166 0.000 2.732 142 F HA 0.372 4.999 4.527 0.167 0.000 0.303 142 F C 0.614 176.640 175.800 0.377 0.000 1.110 142 F CA -1.562 56.595 58.000 0.262 0.000 1.355 142 F CB -1.270 37.862 39.000 0.219 0.000 1.081 142 F HN -0.363 nan 8.300 nan 0.000 0.565 143 F N 2.693 122.647 119.950 0.006 0.000 2.506 143 F HA 0.257 5.453 4.527 1.116 0.000 0.351 143 F C 1.382 177.266 175.800 0.139 0.000 1.136 143 F CA -1.322 56.727 58.000 0.081 0.000 1.298 143 F CB 0.535 39.540 39.000 0.009 0.000 1.145 143 F HN 0.084 nan 8.300 nan 0.000 0.593 144 T N 0.903 115.605 114.554 0.247 0.000 2.788 144 T HA 0.245 5.255 4.350 1.099 0.000 0.280 144 T C 1.143 175.933 174.700 0.151 0.000 0.984 144 T CA -0.787 61.419 62.100 0.176 0.000 0.972 144 T CB 0.833 69.761 68.868 0.100 0.000 1.039 144 T HN 0.460 nan 8.240 nan 0.000 0.530 145 L N 1.415 122.707 121.223 0.116 0.000 2.046 145 L HA 0.157 5.156 4.340 1.099 0.000 0.208 145 L C -0.883 176.025 176.870 0.064 0.000 1.077 145 L CA 1.603 56.496 54.840 0.088 0.000 0.747 145 L CB -1.723 40.373 42.059 0.061 0.000 0.896 145 L HN 0.526 nan 8.230 nan 0.000 0.432 146 P HA -0.183 nan 4.420 nan 0.000 0.216 146 P C 1.477 178.785 177.300 0.014 0.000 1.150 146 P CA 1.487 64.601 63.100 0.023 0.000 0.837 146 P CB -0.025 31.680 31.700 0.009 0.000 0.786 147 Q N -1.027 118.761 119.800 -0.020 0.000 2.119 147 Q HA -0.071 4.929 4.340 1.099 0.000 0.201 147 Q C 2.149 178.199 176.000 0.084 0.000 0.972 147 Q CA 1.019 56.740 55.803 -0.138 0.000 0.847 147 Q CB -0.580 27.871 28.738 -0.479 0.000 0.903 147 Q HN 0.292 nan 8.270 nan 0.000 0.433 148 L N 0.593 121.952 121.223 0.226 0.000 2.046 148 L HA -0.208 4.791 4.340 1.099 0.000 0.208 148 L C 2.273 179.286 176.870 0.240 0.000 1.077 148 L CA 1.306 56.342 54.840 0.325 0.000 0.747 148 L CB -0.312 41.855 42.059 0.179 0.000 0.896 148 L HN 0.130 nan 8.230 nan 0.000 0.432 149 K N -0.198 120.273 120.400 0.119 0.000 2.057 149 K HA -0.178 4.802 4.320 1.099 0.000 0.207 149 K C 1.735 178.439 176.600 0.173 0.000 1.049 149 K CA 1.507 57.856 56.287 0.102 0.000 0.931 149 K CB -0.192 32.338 32.500 0.051 0.000 0.714 149 K HN 0.238 nan 8.250 nan 0.000 0.440 150 D N 0.405 120.888 120.400 0.138 0.000 2.117 150 D HA -0.148 5.152 4.640 1.099 0.000 0.197 150 D C 2.122 178.538 176.300 0.192 0.000 0.987 150 D CA 1.745 55.816 54.000 0.118 0.000 0.829 150 D CB -0.328 40.500 40.800 0.047 0.000 0.961 150 D HN 0.195 nan 8.370 nan 0.000 0.460 151 S N -0.119 115.770 115.700 0.315 0.000 2.368 151 S HA -0.174 4.955 4.470 1.099 0.000 0.225 151 S C 2.084 176.934 174.600 0.418 0.000 1.030 151 S CA 0.720 59.172 58.200 0.420 0.000 0.999 151 S CB -0.776 62.809 63.200 0.642 0.000 0.844 151 S HN 0.090 nan 8.310 nan 0.000 0.459 152 F N 2.337 122.441 119.950 0.255 0.000 2.146 152 F HA 0.199 5.379 4.527 1.090 0.000 0.298 152 F C 2.783 178.585 175.800 0.004 0.000 1.096 152 F CA 0.872 58.982 58.000 0.184 0.000 1.275 152 F CB -0.528 38.614 39.000 0.238 0.000 1.008 152 F HN 0.109 nan 8.300 nan 0.000 0.480 153 R N -0.155 120.476 120.500 0.218 0.000 2.096 153 R HA -0.210 4.790 4.340 1.099 0.000 0.235 153 R C 1.915 178.219 176.300 0.007 0.000 1.127 153 R CA 1.500 57.654 56.100 0.090 0.000 0.968 153 R CB -0.756 29.595 30.300 0.085 0.000 0.861 153 R HN 0.244 nan 8.270 nan 0.000 0.440 154 N N 0.684 119.390 118.700 0.010 0.000 2.205 154 N HA -0.143 5.256 4.740 1.099 0.000 0.186 154 N C 1.511 176.943 175.510 -0.129 0.000 1.015 154 N CA 1.569 54.597 53.050 -0.038 0.000 0.862 154 N CB 0.136 38.623 38.487 -0.000 0.000 0.986 154 N HN 0.179 nan 8.380 nan 0.000 0.429 155 V N -4.691 115.072 119.914 -0.251 0.000 3.649 155 V HA 0.541 5.320 4.120 1.099 0.000 0.275 155 V C 1.279 177.196 176.094 -0.294 0.000 1.281 155 V CA 0.625 62.697 62.300 -0.379 0.000 1.143 155 V CB -0.082 31.264 31.823 -0.795 0.000 0.892 155 V HN 0.327 nan 8.190 nan 0.000 0.441 156 G N 0.554 109.241 108.800 -0.189 0.000 2.205 156 G HA2 -0.142 4.477 3.960 1.099 0.000 0.180 156 G HA3 -0.142 4.477 3.960 1.099 0.000 0.180 156 G C -0.144 174.717 174.900 -0.065 0.000 1.004 156 G CA -0.088 44.942 45.100 -0.117 0.000 0.670 156 G HN 0.466 nan 8.290 nan 0.000 0.496 157 L N 1.830 123.027 121.223 -0.044 0.000 2.314 157 L HA 0.410 5.409 4.340 1.099 0.000 0.275 157 L C 0.970 177.924 176.870 0.141 0.000 1.068 157 L CA -0.890 53.996 54.840 0.078 0.000 0.894 157 L CB 0.851 43.015 42.059 0.176 0.000 1.275 157 L HN -0.032 nan 8.230 nan 0.000 0.432 158 N N 1.733 120.485 118.700 0.087 0.000 2.409 158 N HA 0.009 5.409 4.740 1.099 0.000 0.179 158 N C 0.457 176.016 175.510 0.083 0.000 1.032 158 N CA 0.549 53.646 53.050 0.079 0.000 0.898 158 N CB 0.233 38.746 38.487 0.044 0.000 0.971 158 N HN 0.480 nan 8.380 nan 0.000 0.441 159 R N 0.367 120.921 120.500 0.091 0.000 2.438 159 R HA 0.236 5.236 4.340 1.099 0.000 0.287 159 R C 1.051 177.398 176.300 0.077 0.000 1.077 159 R CA -0.130 56.016 56.100 0.077 0.000 1.034 159 R CB 0.706 31.050 30.300 0.074 0.000 0.993 159 R HN -0.046 nan 8.270 nan 0.000 0.459 160 S N 0.862 116.589 115.700 0.045 0.000 2.419 160 S HA -0.162 4.967 4.470 1.099 0.000 0.233 160 S C 1.848 176.479 174.600 0.051 0.000 1.016 160 S CA 1.406 59.619 58.200 0.021 0.000 0.974 160 S CB -0.036 63.165 63.200 0.002 0.000 0.786 160 S HN 0.700 nan 8.310 nan 0.000 0.492 161 S N 1.351 117.103 115.700 0.087 0.000 2.402 161 S HA -0.143 4.987 4.470 1.099 0.000 0.229 161 S C 1.464 176.187 174.600 0.205 0.000 1.021 161 S CA 1.149 59.448 58.200 0.167 0.000 0.974 161 S CB -0.390 62.910 63.200 0.167 0.000 0.800 161 S HN 0.418 nan 8.310 nan 0.000 0.484 162 D N 1.193 121.691 120.400 0.164 0.000 2.084 162 D HA -0.097 5.202 4.640 1.099 0.000 0.194 162 D C 1.941 178.377 176.300 0.227 0.000 0.990 162 D CA 1.126 55.257 54.000 0.217 0.000 0.826 162 D CB -0.599 40.374 40.800 0.288 0.000 0.971 162 D HN 0.381 nan 8.370 nan 0.000 0.453 163 L N 0.860 122.092 121.223 0.015 0.000 2.017 163 L HA -0.144 4.855 4.340 1.099 0.000 0.208 163 L C 2.275 179.096 176.870 -0.081 0.000 1.073 163 L CA 1.405 56.004 54.840 -0.402 0.000 0.745 163 L CB -0.502 41.221 42.059 -0.559 0.000 0.894 163 L HN -0.129 nan 8.230 nan 0.000 0.432 164 V N 0.034 120.010 119.914 0.103 0.000 2.358 164 V HA -0.220 4.559 4.120 1.099 0.000 0.246 164 V C 2.769 179.195 176.094 0.554 0.000 1.047 164 V CA 1.535 64.017 62.300 0.303 0.000 1.035 164 V CB -1.409 30.563 31.823 0.249 0.000 0.658 164 V HN 0.598 nan 8.190 nan 0.000 0.452 165 A N -0.144 123.015 122.820 0.565 0.000 1.873 165 A HA -0.087 4.893 4.320 1.099 0.000 0.215 165 A C 2.190 180.110 177.584 0.560 0.000 1.186 165 A CA 1.536 53.925 52.037 0.586 0.000 0.616 165 A CB -0.524 18.677 19.000 0.333 0.000 0.823 165 A HN 0.484 nan 8.150 nan 0.000 0.442 166 L N -0.239 121.176 121.223 0.321 0.000 2.201 166 L HA -0.117 4.883 4.340 1.099 0.000 0.212 166 L C 2.578 179.474 176.870 0.043 0.000 1.105 166 L CA 1.138 56.107 54.840 0.215 0.000 0.775 166 L CB -0.320 41.830 42.059 0.153 0.000 0.913 166 L HN 0.284 nan 8.230 nan 0.000 0.440 167 S N 0.153 115.828 115.700 -0.041 0.000 2.469 167 S HA -0.097 5.032 4.470 1.099 0.000 0.238 167 S C 1.965 176.114 174.600 -0.751 0.000 0.998 167 S CA 0.963 58.939 58.200 -0.373 0.000 0.957 167 S CB -0.359 62.762 63.200 -0.133 0.000 0.764 167 S HN 0.620 nan 8.310 nan 0.000 0.514 168 G N 1.078 109.661 108.800 -0.362 0.000 2.586 168 G HA2 -0.012 4.607 3.960 1.099 0.000 0.215 168 G HA3 -0.012 4.607 3.960 1.099 0.000 0.215 168 G C 1.239 175.798 174.900 -0.568 0.000 1.128 168 G CA 0.614 45.335 45.100 -0.631 0.000 0.774 168 G HN 0.553 nan 8.290 nan 0.000 0.543 169 G N -0.522 108.101 108.800 -0.294 0.000 2.559 169 G HA2 -0.119 4.501 3.960 1.099 0.000 0.216 169 G HA3 -0.119 4.501 3.960 1.099 0.000 0.216 169 G C 1.091 175.938 174.900 -0.089 0.000 1.126 169 G CA 0.240 45.318 45.100 -0.035 0.000 0.778 169 G HN 0.682 nan 8.290 nan 0.000 0.543 170 H N -0.541 118.178 119.070 -0.585 0.000 2.592 170 H HA 0.133 5.346 4.556 1.095 0.000 0.291 170 H C 1.995 177.162 175.328 -0.268 0.000 1.052 170 H CA 0.191 55.873 56.048 -0.611 0.000 1.175 170 H CB 0.508 29.809 29.762 -0.769 0.000 1.378 170 H HN 0.246 nan 8.280 nan 0.000 0.576 171 T N 0.681 115.089 114.554 -0.244 0.000 3.113 171 T HA -0.019 4.991 4.350 1.099 0.000 0.256 171 T C -0.121 174.624 174.700 0.075 0.000 1.131 171 T CA 0.199 62.181 62.100 -0.197 0.000 1.074 171 T CB -0.049 68.463 68.868 -0.594 0.000 0.944 171 T HN 0.332 nan 8.240 nan 0.000 0.516 172 F N -1.542 118.403 119.950 -0.009 0.000 2.789 172 F HA 0.726 5.912 4.527 1.098 0.000 0.319 172 F C 0.075 175.954 175.800 0.130 0.000 1.168 172 F CA -1.823 56.226 58.000 0.082 0.000 0.934 172 F CB 0.767 39.823 39.000 0.093 0.000 1.375 172 F HN 0.131 nan 8.300 nan 0.000 0.480 173 G N 1.294 110.169 108.800 0.126 0.000 2.710 173 G HA2 0.209 4.829 3.960 1.099 0.000 0.668 173 G HA3 0.209 4.829 3.960 1.099 0.000 0.668 173 G C -1.680 173.368 174.900 0.247 0.000 1.320 173 G CA -0.760 44.364 45.100 0.041 0.000 0.860 173 G HN 0.780 nan 8.290 nan 0.000 0.538 174 K N -0.004 120.521 120.400 0.208 0.000 2.281 174 K HA 0.704 5.683 4.320 1.099 0.000 0.242 174 K C -0.241 176.434 176.600 0.126 0.000 0.971 174 K CA -1.007 55.361 56.287 0.135 0.000 0.834 174 K CB 2.093 34.630 32.500 0.062 0.000 1.181 174 K HN 0.809 nan 8.250 nan 0.000 0.435 175 N N 0.527 119.158 118.700 -0.115 0.000 2.287 175 N HA 0.102 5.502 4.740 1.099 0.000 0.289 175 N C -1.412 174.086 175.510 -0.021 0.000 1.066 175 N CA -0.372 52.590 53.050 -0.146 0.000 0.841 175 N CB 1.484 39.523 38.487 -0.747 0.000 1.599 175 N HN 0.302 nan 8.380 nan 0.000 0.476 176 Q N 1.748 121.632 119.800 0.139 0.000 2.327 176 Q HA 0.179 5.178 4.340 1.099 0.000 0.254 176 Q C 0.660 176.636 176.000 -0.041 0.000 0.952 176 Q CA -0.478 55.336 55.803 0.018 0.000 0.884 176 Q CB 0.998 29.693 28.738 -0.072 0.000 1.224 176 Q HN 0.750 nan 8.270 nan 0.000 0.422 177 c N 1.424 119.983 118.600 -0.068 0.000 2.403 177 c HA -0.192 5.038 4.570 1.099 0.000 0.277 177 c C 2.552 176.597 174.090 -0.075 0.000 1.248 177 c CA 0.832 57.128 56.329 -0.055 0.000 1.762 177 c CB -0.909 41.579 42.510 -0.036 0.000 2.014 177 c HN 0.939 nan 8.230 nan 0.000 0.486 178 R N 0.100 120.481 120.500 -0.200 0.000 2.119 178 R HA -0.204 4.795 4.340 1.099 0.000 0.246 178 R C 1.576 177.747 176.300 -0.214 0.000 1.146 178 R CA 2.020 57.944 56.100 -0.295 0.000 0.962 178 R CB -0.429 29.529 30.300 -0.570 0.000 0.863 178 R HN 0.499 nan 8.270 nan 0.000 0.442 179 F N 0.262 120.254 119.950 0.071 0.000 2.802 179 F HA 0.062 5.158 4.527 0.947 0.000 0.300 179 F C 1.751 177.608 175.800 0.095 0.000 1.168 179 F CA 0.388 58.450 58.000 0.103 0.000 1.433 179 F CB 0.077 39.131 39.000 0.089 0.000 1.115 179 F HN 0.150 nan 8.300 nan 0.000 0.582 180 I N -5.140 115.536 120.570 0.177 0.000 4.338 180 I HA 0.101 4.930 4.170 1.099 0.000 0.329 180 I C 1.582 177.747 176.117 0.081 0.000 1.378 180 I CA 0.023 61.389 61.300 0.110 0.000 1.170 180 I CB -0.077 37.925 38.000 0.004 0.000 1.206 180 I HN -0.197 nan 8.210 nan 0.000 0.432 181 M N 2.693 122.359 119.600 0.111 0.000 2.144 181 M HA -0.179 4.960 4.480 1.099 0.000 0.260 181 M C 1.977 178.392 176.300 0.192 0.000 1.067 181 M CA 2.089 57.489 55.300 0.167 0.000 1.095 181 M CB -1.148 31.546 32.600 0.157 0.000 1.365 181 M HN 0.579 nan 8.290 nan 0.000 0.406 182 D N 0.015 120.530 120.400 0.191 0.000 2.117 182 D HA -0.193 5.106 4.640 1.099 0.000 0.198 182 D C 1.912 178.386 176.300 0.290 0.000 0.982 182 D CA 1.238 55.379 54.000 0.235 0.000 0.828 182 D CB -0.706 40.234 40.800 0.233 0.000 0.967 182 D HN 0.380 nan 8.370 nan 0.000 0.464 183 R N 0.089 120.732 120.500 0.238 0.000 2.120 183 R HA 0.039 5.038 4.340 1.099 0.000 0.234 183 R C 2.638 178.863 176.300 -0.125 0.000 1.123 183 R CA 0.811 56.925 56.100 0.024 0.000 0.975 183 R CB -0.247 29.995 30.300 -0.097 0.000 0.866 183 R HN 0.309 nan 8.270 nan 0.000 0.446 184 L N -1.421 119.674 121.223 -0.213 0.000 2.209 184 L HA -0.048 4.951 4.340 1.099 0.000 0.207 184 L C 1.250 177.671 176.870 -0.748 0.000 1.094 184 L CA 1.128 55.623 54.840 -0.575 0.000 0.790 184 L CB -0.048 41.486 42.059 -0.875 0.000 0.932 184 L HN 0.174 nan 8.230 nan 0.000 0.447 185 Y N -2.440 117.884 120.300 0.040 0.000 2.494 185 Y HA 0.244 5.449 4.550 1.093 0.000 0.271 185 Y C 0.524 176.459 175.900 0.059 0.000 1.113 185 Y CA -0.753 57.369 58.100 0.037 0.000 1.240 185 Y CB 0.510 38.982 38.460 0.020 0.000 1.268 185 Y HN 0.042 nan 8.280 nan 0.000 0.510 186 N N 0.213 119.044 118.700 0.218 0.000 2.827 186 N HA 0.102 5.502 4.740 1.099 0.000 0.240 186 N C -2.029 173.592 175.510 0.186 0.000 1.352 186 N CA -0.300 52.851 53.050 0.168 0.000 0.760 186 N CB -0.025 38.536 38.487 0.123 0.000 1.426 186 N HN 0.007 nan 8.380 nan 0.000 0.561 187 F N 3.173 123.146 119.950 0.037 0.000 2.420 187 F HA 0.387 5.569 4.527 1.092 0.000 0.352 187 F C 1.269 177.089 175.800 0.035 0.000 1.108 187 F CA 0.046 58.068 58.000 0.037 0.000 1.162 187 F CB 0.983 40.001 39.000 0.030 0.000 1.118 187 F HN 0.531 nan 8.300 nan 0.000 0.510 188 S N 5.708 121.066 115.700 -0.570 0.000 3.559 188 S HA -0.299 4.830 4.470 1.099 0.000 0.369 188 S C 0.494 174.999 174.600 -0.158 0.000 0.987 188 S CA 0.944 58.895 58.200 -0.416 0.000 1.187 188 S CB -1.718 61.191 63.200 -0.486 0.000 0.914 188 S HN 1.005 nan 8.310 nan 0.000 0.480 189 N N -1.251 117.393 118.700 -0.093 0.000 2.693 189 N HA -0.218 5.181 4.740 1.099 0.000 0.249 189 N C 0.752 176.259 175.510 -0.005 0.000 1.119 189 N CA 1.606 54.634 53.050 -0.037 0.000 0.717 189 N CB -2.126 36.333 38.487 -0.047 0.000 1.071 189 N HN 0.989 nan 8.380 nan 0.000 0.555 190 T N -4.327 110.240 114.554 0.022 0.000 3.065 190 T HA 0.323 5.332 4.350 1.099 0.000 0.252 190 T C 1.530 176.264 174.700 0.056 0.000 1.099 190 T CA 1.148 63.276 62.100 0.047 0.000 1.063 190 T CB 0.463 69.381 68.868 0.085 0.000 0.948 190 T HN 0.628 nan 8.240 nan 0.000 0.506 191 G N 1.124 109.963 108.800 0.064 0.000 2.168 191 G HA2 -0.200 4.420 3.960 1.099 0.000 0.263 191 G HA3 -0.200 4.420 3.960 1.099 0.000 0.263 191 G C -0.131 174.819 174.900 0.084 0.000 0.977 191 G CA 0.527 45.668 45.100 0.068 0.000 0.659 191 G HN 0.649 nan 8.290 nan 0.000 0.533 192 L N 0.461 121.744 121.223 0.100 0.000 2.327 192 L HA 0.605 5.604 4.340 1.099 0.000 0.258 192 L C -2.011 174.923 176.870 0.106 0.000 1.024 192 L CA -2.692 52.202 54.840 0.090 0.000 0.825 192 L CB 2.494 44.597 42.059 0.073 0.000 1.386 192 L HN -0.133 nan 8.230 nan 0.000 0.417 193 P HA -0.006 nan 4.420 nan 0.000 0.274 193 P C -1.128 176.147 177.300 -0.042 0.000 1.246 193 P CA -0.277 62.811 63.100 -0.020 0.000 0.795 193 P CB 0.625 32.266 31.700 -0.099 0.000 1.006 194 D N 1.917 122.181 120.400 -0.227 0.000 2.412 194 D HA 0.003 5.302 4.640 1.099 0.000 0.257 194 D C -1.056 175.089 176.300 -0.259 0.000 1.217 194 D CA -1.862 51.816 54.000 -0.537 0.000 0.897 194 D CB 0.292 40.455 40.800 -1.061 0.000 1.132 194 D HN 0.191 nan 8.370 nan 0.000 0.493 195 P HA -0.122 nan 4.420 nan 0.000 0.225 195 P C 0.864 178.123 177.300 -0.068 0.000 1.148 195 P CA 0.930 63.990 63.100 -0.066 0.000 0.779 195 P CB -0.095 31.599 31.700 -0.011 0.000 0.780 196 T N -3.483 111.007 114.554 -0.107 0.000 3.129 196 T HA 0.149 5.158 4.350 1.099 0.000 0.251 196 T C 0.563 175.230 174.700 -0.056 0.000 1.117 196 T CA -0.349 61.717 62.100 -0.058 0.000 1.034 196 T CB -0.566 68.276 68.868 -0.043 0.000 0.968 196 T HN -0.087 nan 8.240 nan 0.000 0.526 197 L N 3.050 124.218 121.223 -0.090 0.000 2.272 197 L HA 0.436 5.435 4.340 1.099 0.000 0.289 197 L C -0.045 176.814 176.870 -0.017 0.000 1.032 197 L CA -0.985 53.821 54.840 -0.056 0.000 0.810 197 L CB 0.851 42.838 42.059 -0.121 0.000 1.205 197 L HN 0.158 nan 8.230 nan 0.000 0.422 198 N N 2.428 121.148 118.700 0.034 0.000 2.294 198 N HA -0.134 5.265 4.740 1.099 0.000 0.263 198 N C 0.925 176.457 175.510 0.037 0.000 1.281 198 N CA 0.945 54.017 53.050 0.037 0.000 0.846 198 N CB 1.054 39.570 38.487 0.048 0.000 1.061 198 N HN 0.884 nan 8.380 nan 0.000 0.478 199 T N 0.554 115.115 114.554 0.011 0.000 2.881 199 T HA -0.109 4.901 4.350 1.099 0.000 0.270 199 T C 1.645 176.353 174.700 0.013 0.000 1.068 199 T CA 1.562 63.662 62.100 -0.001 0.000 1.131 199 T CB -0.238 68.626 68.868 -0.006 0.000 0.871 199 T HN 0.503 nan 8.240 nan 0.000 0.479 200 T N 0.558 115.133 114.554 0.036 0.000 2.851 200 T HA 0.024 5.034 4.350 1.099 0.000 0.262 200 T C 1.428 176.188 174.700 0.100 0.000 1.043 200 T CA 0.869 62.996 62.100 0.046 0.000 1.140 200 T CB -0.496 68.392 68.868 0.033 0.000 0.872 200 T HN 0.430 nan 8.240 nan 0.000 0.446 201 Y N 1.865 122.134 120.300 -0.051 0.000 2.293 201 Y HA 0.051 5.262 4.550 1.100 0.000 0.291 201 Y C 2.015 177.875 175.900 -0.067 0.000 1.137 201 Y CA -0.018 58.047 58.100 -0.057 0.000 1.202 201 Y CB -0.703 37.717 38.460 -0.066 0.000 0.990 201 Y HN 0.107 nan 8.280 nan 0.000 0.537 202 L N 0.358 121.553 121.223 -0.047 0.000 2.042 202 L HA -0.238 4.762 4.340 1.099 0.000 0.210 202 L C 2.062 178.843 176.870 -0.147 0.000 1.076 202 L CA 1.952 56.695 54.840 -0.162 0.000 0.749 202 L CB -0.911 41.078 42.059 -0.116 0.000 0.893 202 L HN 0.096 nan 8.230 nan 0.000 0.432 203 Q N -0.527 119.234 119.800 -0.066 0.000 2.084 203 Q HA -0.145 4.854 4.340 1.099 0.000 0.202 203 Q C 2.258 178.232 176.000 -0.042 0.000 0.978 203 Q CA 2.345 58.124 55.803 -0.040 0.000 0.844 203 Q CB -1.047 27.687 28.738 -0.006 0.000 0.898 203 Q HN 0.558 nan 8.270 nan 0.000 0.426 204 T N 0.961 115.497 114.554 -0.030 0.000 2.708 204 T HA -0.085 4.924 4.350 1.099 0.000 0.266 204 T C 1.840 176.482 174.700 -0.096 0.000 1.037 204 T CA 1.043 63.132 62.100 -0.019 0.000 1.146 204 T CB -0.282 68.635 68.868 0.081 0.000 0.865 204 T HN 0.166 nan 8.240 nan 0.000 0.435 205 L N 0.251 121.333 121.223 -0.236 0.000 2.093 205 L HA -0.042 4.957 4.340 1.099 0.000 0.208 205 L C 2.862 179.641 176.870 -0.151 0.000 1.085 205 L CA 1.267 55.944 54.840 -0.271 0.000 0.755 205 L CB -0.466 41.319 42.059 -0.456 0.000 0.904 205 L HN 0.146 nan 8.230 nan 0.000 0.435 206 R N -0.133 120.287 120.500 -0.133 0.000 2.152 206 R HA -0.099 4.900 4.340 1.099 0.000 0.232 206 R C 2.329 178.660 176.300 0.051 0.000 1.117 206 R CA 1.112 57.199 56.100 -0.021 0.000 0.981 206 R CB -0.497 29.790 30.300 -0.021 0.000 0.870 206 R HN 0.428 nan 8.270 nan 0.000 0.451 207 G N 0.488 109.291 108.800 0.005 0.000 2.421 207 G HA2 -0.165 4.454 3.960 1.099 0.000 0.217 207 G HA3 -0.165 4.454 3.960 1.099 0.000 0.217 207 G C 1.348 176.254 174.900 0.009 0.000 1.143 207 G CA 0.225 45.334 45.100 0.014 0.000 0.784 207 G HN 0.139 nan 8.290 nan 0.000 0.541 208 L N -0.349 120.868 121.223 -0.010 0.000 2.270 208 L HA 0.162 5.161 4.340 1.099 0.000 0.210 208 L C 0.519 177.387 176.870 -0.003 0.000 1.104 208 L CA 0.150 54.982 54.840 -0.013 0.000 0.804 208 L CB 0.245 42.283 42.059 -0.035 0.000 0.937 208 L HN 0.123 nan 8.230 nan 0.000 0.450 209 c N 1.025 119.634 118.600 0.015 0.000 3.169 209 c HA 0.342 5.571 4.570 1.099 0.000 0.232 209 c C -2.095 172.084 174.090 0.147 0.000 1.316 209 c CA -1.574 54.786 56.329 0.052 0.000 1.545 209 c CB -0.228 42.304 42.510 0.036 0.000 1.785 209 c HN 0.104 nan 8.230 nan 0.000 0.454 210 P HA 0.098 nan 4.420 nan 0.000 0.272 210 P C -0.145 177.110 177.300 -0.076 0.000 1.223 210 P CA 0.131 63.270 63.100 0.064 0.000 0.784 210 P CB 1.086 32.790 31.700 0.008 0.000 0.923 211 L N 2.791 123.790 121.223 -0.374 0.000 2.525 211 L HA -0.057 4.942 4.340 1.099 0.000 0.278 211 L C 1.222 177.957 176.870 -0.226 0.000 1.218 211 L CA 0.769 55.303 54.840 -0.511 0.000 0.878 211 L CB -0.848 40.773 42.059 -0.729 0.000 1.127 211 L HN 0.635 nan 8.230 nan 0.000 0.492 212 N N 0.682 119.286 118.700 -0.160 0.000 2.800 212 N HA -0.171 5.229 4.740 1.099 0.000 0.250 212 N C 0.386 175.855 175.510 -0.067 0.000 1.078 212 N CA 0.275 53.267 53.050 -0.096 0.000 0.804 212 N CB -0.836 37.595 38.487 -0.094 0.000 1.135 212 N HN 0.824 nan 8.380 nan 0.000 0.565 213 G N 0.528 109.293 108.800 -0.060 0.000 2.531 213 G HA2 0.212 4.831 3.960 1.099 0.000 0.281 213 G HA3 0.212 4.831 3.960 1.099 0.000 0.281 213 G C -0.201 174.681 174.900 -0.030 0.000 1.382 213 G CA -0.443 44.635 45.100 -0.036 0.000 1.045 213 G HN 0.300 nan 8.290 nan 0.000 0.533 214 N N 0.125 118.812 118.700 -0.023 0.000 2.400 214 N HA 0.037 5.437 4.740 1.099 0.000 0.267 214 N C 1.433 176.924 175.510 -0.031 0.000 1.208 214 N CA -0.429 52.607 53.050 -0.024 0.000 0.951 214 N CB 0.183 38.660 38.487 -0.018 0.000 1.227 214 N HN 0.331 nan 8.380 nan 0.000 0.488 215 L N 2.279 123.477 121.223 -0.043 0.000 2.362 215 L HA -0.092 4.908 4.340 1.099 0.000 0.219 215 L C 1.760 178.577 176.870 -0.088 0.000 1.134 215 L CA 0.655 55.454 54.840 -0.068 0.000 0.807 215 L CB -0.110 41.899 42.059 -0.082 0.000 0.927 215 L HN 0.533 nan 8.230 nan 0.000 0.447 216 S N -0.214 115.451 115.700 -0.059 0.000 2.593 216 S HA 0.227 5.356 4.470 1.099 0.000 0.217 216 S C 1.045 175.628 174.600 -0.027 0.000 0.966 216 S CA -0.056 58.116 58.200 -0.047 0.000 0.914 216 S CB -0.053 63.133 63.200 -0.023 0.000 0.776 216 S HN 0.360 nan 8.310 nan 0.000 0.523 217 A N 1.679 124.483 122.820 -0.028 0.000 2.498 217 A HA 0.410 5.389 4.320 1.099 0.000 0.239 217 A C -0.012 177.560 177.584 -0.020 0.000 1.068 217 A CA 0.092 52.118 52.037 -0.018 0.000 0.766 217 A CB -0.012 18.978 19.000 -0.017 0.000 1.003 217 A HN 0.464 nan 8.150 nan 0.000 0.497 218 L N 2.550 123.766 121.223 -0.011 0.000 2.309 218 L HA 0.576 5.576 4.340 1.099 0.000 0.282 218 L C -0.454 176.401 176.870 -0.025 0.000 1.036 218 L CA -0.700 54.133 54.840 -0.012 0.000 0.806 218 L CB 1.511 43.573 42.059 0.006 0.000 1.220 218 L HN 0.431 nan 8.230 nan 0.000 0.429 219 V N 0.937 120.817 119.914 -0.056 0.000 2.823 219 V HA 0.310 5.090 4.120 1.099 0.000 0.312 219 V C -0.602 175.443 176.094 -0.082 0.000 1.072 219 V CA -0.949 61.310 62.300 -0.067 0.000 0.937 219 V CB 2.415 34.175 31.823 -0.104 0.000 1.013 219 V HN 0.621 nan 8.190 nan 0.000 0.430 220 D N 1.824 122.215 120.400 -0.016 0.000 2.389 220 D HA 0.171 5.471 4.640 1.099 0.000 0.247 220 D C 0.573 176.894 176.300 0.034 0.000 1.128 220 D CA 0.108 54.133 54.000 0.042 0.000 0.884 220 D CB 1.237 42.090 40.800 0.088 0.000 1.194 220 D HN 0.406 nan 8.370 nan 0.000 0.441 221 F N 0.536 120.529 119.950 0.071 0.000 2.186 221 F HA -0.144 5.034 4.527 1.085 0.000 0.299 221 F C 1.346 177.219 175.800 0.121 0.000 1.090 221 F CA 0.948 58.996 58.000 0.080 0.000 1.307 221 F CB 0.252 39.287 39.000 0.058 0.000 1.019 221 F HN 0.199 nan 8.300 nan 0.000 0.489 222 D N 0.112 120.686 120.400 0.291 0.000 2.453 222 D HA 0.142 5.441 4.640 1.099 0.000 0.238 222 D C 0.927 177.281 176.300 0.090 0.000 1.088 222 D CA -0.249 53.852 54.000 0.168 0.000 0.854 222 D CB 0.854 41.745 40.800 0.151 0.000 1.076 222 D HN 0.234 nan 8.370 nan 0.000 0.533 223 L N 1.943 123.180 121.223 0.024 0.000 2.362 223 L HA 0.116 5.116 4.340 1.099 0.000 0.219 223 L C 1.709 178.561 176.870 -0.031 0.000 1.134 223 L CA 0.428 55.264 54.840 -0.007 0.000 0.807 223 L CB 0.080 42.070 42.059 -0.116 0.000 0.927 223 L HN 0.135 nan 8.230 nan 0.000 0.447 224 R N 0.889 121.362 120.500 -0.044 0.000 2.052 224 R HA 0.049 5.048 4.340 1.099 0.000 0.224 224 R C 0.464 176.763 176.300 -0.001 0.000 1.149 224 R CA 1.530 57.606 56.100 -0.040 0.000 0.962 224 R CB -0.150 30.113 30.300 -0.062 0.000 0.856 224 R HN 0.547 nan 8.270 nan 0.000 0.433 225 T N -1.830 112.735 114.554 0.018 0.000 3.226 225 T HA 0.308 5.318 4.350 1.099 0.000 0.378 225 T C -2.487 172.265 174.700 0.086 0.000 1.380 225 T CA -1.856 60.271 62.100 0.045 0.000 1.396 225 T CB 1.670 70.560 68.868 0.036 0.000 1.044 225 T HN -0.162 nan 8.240 nan 0.000 0.586 226 P HA -0.153 nan 4.420 nan 0.000 0.217 226 P C 1.453 178.874 177.300 0.201 0.000 1.148 226 P CA 1.547 64.732 63.100 0.142 0.000 0.834 226 P CB 0.085 31.848 31.700 0.105 0.000 0.783 227 T N -6.166 108.504 114.554 0.192 0.000 3.043 227 T HA 0.292 5.301 4.350 1.099 0.000 0.272 227 T C 0.418 175.303 174.700 0.308 0.000 0.990 227 T CA -0.228 62.030 62.100 0.263 0.000 0.897 227 T CB -0.367 68.603 68.868 0.170 0.000 1.111 227 T HN -0.096 nan 8.240 nan 0.000 0.529 228 I N 1.846 122.536 120.570 0.201 0.000 2.359 228 I HA 0.431 5.261 4.170 1.099 0.000 0.294 228 I C -0.688 175.448 176.117 0.031 0.000 0.987 228 I CA -1.281 60.104 61.300 0.142 0.000 1.225 228 I CB 1.419 39.479 38.000 0.101 0.000 1.366 228 I HN 0.104 nan 8.210 nan 0.000 0.466 229 F N 7.563 127.413 119.950 -0.166 0.000 2.439 229 F HA 0.214 5.399 4.527 1.097 0.000 0.356 229 F C -0.091 175.708 175.800 -0.001 0.000 1.161 229 F CA -0.090 57.694 58.000 -0.360 0.000 1.151 229 F CB -0.201 38.457 39.000 -0.570 0.000 1.222 229 F HN 0.559 nan 8.300 nan 0.000 0.558 230 D N 2.501 122.799 120.400 -0.171 0.000 2.752 230 D HA 0.139 5.438 4.640 1.099 0.000 0.313 230 D C -0.223 176.102 176.300 0.042 0.000 1.225 230 D CA -0.753 53.326 54.000 0.131 0.000 0.976 230 D CB 0.152 40.998 40.800 0.077 0.000 1.443 230 D HN 0.244 nan 8.370 nan 0.000 0.515 231 N N -0.364 118.380 118.700 0.074 0.000 2.370 231 N HA -0.054 5.346 4.740 1.099 0.000 0.198 231 N C 0.533 176.029 175.510 -0.023 0.000 1.156 231 N CA -0.074 52.955 53.050 -0.034 0.000 0.839 231 N CB 0.040 38.540 38.487 0.022 0.000 0.989 231 N HN 0.187 nan 8.380 nan 0.000 0.468 232 K N 0.478 120.843 120.400 -0.058 0.000 2.211 232 K HA -0.174 4.806 4.320 1.099 0.000 0.204 232 K C 1.358 177.888 176.600 -0.115 0.000 1.047 232 K CA 0.637 56.881 56.287 -0.071 0.000 0.935 232 K CB -0.774 31.690 32.500 -0.059 0.000 0.728 232 K HN 0.414 nan 8.250 nan 0.000 0.452 233 Y N 0.802 120.909 120.300 -0.322 0.000 2.151 233 Y HA -0.329 4.877 4.550 1.094 0.000 0.284 233 Y C 1.800 177.397 175.900 -0.505 0.000 1.166 233 Y CA 1.701 59.533 58.100 -0.447 0.000 1.163 233 Y CB -0.411 37.644 38.460 -0.676 0.000 0.974 233 Y HN 0.028 nan 8.280 nan 0.000 0.511 234 Y N -1.401 118.759 120.300 -0.234 0.000 2.337 234 Y HA -0.115 5.096 4.550 1.101 0.000 0.293 234 Y C 2.499 178.206 175.900 -0.322 0.000 1.123 234 Y CA 1.212 59.135 58.100 -0.294 0.000 1.201 234 Y CB -0.780 37.594 38.460 -0.145 0.000 1.011 234 Y HN -0.040 nan 8.280 nan 0.000 0.545 235 V N 0.606 120.444 119.914 -0.127 0.000 2.407 235 V HA -0.290 4.489 4.120 1.099 0.000 0.248 235 V C 1.831 177.768 176.094 -0.263 0.000 1.055 235 V CA 1.867 64.065 62.300 -0.171 0.000 1.049 235 V CB -0.552 31.198 31.823 -0.123 0.000 0.662 235 V HN 0.476 nan 8.190 nan 0.000 0.455 236 N N 0.566 119.086 118.700 -0.301 0.000 2.084 236 N HA -0.111 5.288 4.740 1.099 0.000 0.190 236 N C 1.832 177.112 175.510 -0.383 0.000 1.030 236 N CA 1.391 54.241 53.050 -0.333 0.000 0.849 236 N CB -0.514 37.773 38.487 -0.333 0.000 1.012 236 N HN 0.390 nan 8.380 nan 0.000 0.423 237 L N 1.364 122.297 121.223 -0.482 0.000 2.042 237 L HA -0.146 4.853 4.340 1.099 0.000 0.210 237 L C 2.003 178.428 176.870 -0.742 0.000 1.076 237 L CA 1.270 55.812 54.840 -0.498 0.000 0.749 237 L CB -0.541 41.232 42.059 -0.477 0.000 0.893 237 L HN 0.223 nan 8.230 nan 0.000 0.432 238 E N 0.236 119.924 120.200 -0.854 0.000 2.265 238 E HA -0.193 4.816 4.350 1.099 0.000 0.196 238 E C 1.185 177.468 176.600 -0.529 0.000 0.996 238 E CA 0.902 56.662 56.400 -1.067 0.000 0.832 238 E CB 0.013 29.362 29.700 -0.586 0.000 0.756 238 E HN 0.598 nan 8.360 nan 0.000 0.491 239 E N 0.369 120.356 120.200 -0.356 0.000 2.451 239 E HA 0.015 5.024 4.350 1.099 0.000 0.194 239 E C -0.358 176.154 176.600 -0.148 0.000 1.027 239 E CA -0.110 56.168 56.400 -0.202 0.000 0.914 239 E CB 0.587 30.174 29.700 -0.190 0.000 1.054 239 E HN 0.057 nan 8.360 nan 0.000 0.461 240 Q N -0.170 119.538 119.800 -0.154 0.000 2.494 240 Q HA -0.214 4.785 4.340 1.099 0.000 0.272 240 Q C -0.023 175.951 176.000 -0.043 0.000 1.145 240 Q CA 0.968 56.736 55.803 -0.057 0.000 0.943 240 Q CB -2.109 26.628 28.738 -0.001 0.000 1.338 240 Q HN 0.371 nan 8.270 nan 0.000 0.492 241 K N -0.222 120.105 120.400 -0.122 0.000 2.514 241 K HA 0.278 5.258 4.320 1.099 0.000 0.207 241 K C 0.867 177.446 176.600 -0.035 0.000 1.035 241 K CA 0.364 56.585 56.287 -0.110 0.000 1.113 241 K CB 0.875 33.115 32.500 -0.433 0.000 0.846 241 K HN 0.265 nan 8.250 nan 0.000 0.491 242 G N 1.001 109.771 108.800 -0.050 0.000 2.398 242 G HA2 0.045 4.664 3.960 1.099 0.000 0.246 242 G HA3 0.045 4.664 3.960 1.099 0.000 0.246 242 G C 0.694 175.667 174.900 0.122 0.000 1.289 242 G CA -0.425 44.654 45.100 -0.035 0.000 0.869 242 G HN 0.136 nan 8.290 nan 0.000 0.543 243 L N 3.161 124.491 121.223 0.177 0.000 2.023 243 L HA 0.216 5.216 4.340 1.099 0.000 0.205 243 L C 1.549 178.448 176.870 0.048 0.000 1.073 243 L CA 1.284 56.187 54.840 0.104 0.000 0.745 243 L CB -0.441 41.611 42.059 -0.011 0.000 0.900 243 L HN 0.655 nan 8.230 nan 0.000 0.435 244 I N -3.437 117.214 120.570 0.135 0.000 2.793 244 I HA 0.221 5.051 4.170 1.099 0.000 0.313 244 I C 1.270 177.485 176.117 0.165 0.000 0.998 244 I CA -0.610 60.778 61.300 0.147 0.000 1.140 244 I CB 0.974 39.094 38.000 0.199 0.000 1.327 244 I HN 0.273 nan 8.210 nan 0.000 0.491 245 Q N 2.266 122.173 119.800 0.179 0.000 2.045 245 Q HA -0.229 4.770 4.340 1.099 0.000 0.206 245 Q C 1.997 178.117 176.000 0.200 0.000 0.991 245 Q CA 3.319 59.240 55.803 0.197 0.000 0.851 245 Q CB -0.081 28.856 28.738 0.332 0.000 0.911 245 Q HN 0.961 nan 8.270 nan 0.000 0.418 246 S N 0.038 115.866 115.700 0.213 0.000 2.442 246 S HA -0.164 4.965 4.470 1.099 0.000 0.236 246 S C 1.229 175.954 174.600 0.207 0.000 1.007 246 S CA 1.263 59.584 58.200 0.201 0.000 0.965 246 S CB -0.207 63.098 63.200 0.174 0.000 0.773 246 S HN 0.402 nan 8.310 nan 0.000 0.504 247 D N 1.437 121.986 120.400 0.247 0.000 2.085 247 D HA -0.040 5.259 4.640 1.099 0.000 0.199 247 D C 2.140 178.513 176.300 0.123 0.000 0.981 247 D CA 1.240 55.395 54.000 0.258 0.000 0.834 247 D CB -0.593 40.393 40.800 0.310 0.000 0.992 247 D HN 0.368 nan 8.370 nan 0.000 0.457 248 Q N 0.884 120.742 119.800 0.096 0.000 2.226 248 Q HA -0.115 4.884 4.340 1.099 0.000 0.204 248 Q C 1.682 177.752 176.000 0.117 0.000 0.975 248 Q CA 1.038 56.884 55.803 0.073 0.000 0.866 248 Q CB -0.061 28.705 28.738 0.046 0.000 0.915 248 Q HN 0.202 nan 8.270 nan 0.000 0.440 249 E N -0.128 120.146 120.200 0.124 0.000 2.204 249 E HA -0.156 4.854 4.350 1.099 0.000 0.195 249 E C 1.835 178.500 176.600 0.108 0.000 0.990 249 E CA 0.825 57.296 56.400 0.120 0.000 0.821 249 E CB -0.128 29.655 29.700 0.138 0.000 0.750 249 E HN 0.461 nan 8.360 nan 0.000 0.477 250 L N -0.662 120.637 121.223 0.127 0.000 2.191 250 L HA -0.139 4.860 4.340 1.099 0.000 0.212 250 L C 2.201 179.167 176.870 0.159 0.000 1.103 250 L CA 0.936 55.853 54.840 0.128 0.000 0.769 250 L CB -0.253 41.904 42.059 0.162 0.000 0.908 250 L HN 0.060 nan 8.230 nan 0.000 0.438 251 F N -1.175 118.774 119.950 -0.001 0.000 2.602 251 F HA 0.087 5.271 4.527 1.096 0.000 0.284 251 F C 2.158 177.949 175.800 -0.015 0.000 1.111 251 F CA 0.406 58.395 58.000 -0.018 0.000 1.405 251 F CB 0.402 39.380 39.000 -0.037 0.000 1.121 251 F HN -0.182 nan 8.300 nan 0.000 0.603 252 S N -0.984 114.755 115.700 0.066 0.000 2.512 252 S HA 0.104 5.233 4.470 1.099 0.000 0.216 252 S C 0.707 175.296 174.600 -0.018 0.000 1.006 252 S CA 0.071 58.264 58.200 -0.011 0.000 0.915 252 S CB -0.077 63.169 63.200 0.077 0.000 0.824 252 S HN 0.216 nan 8.310 nan 0.000 0.497 253 S N 2.536 118.241 115.700 0.008 0.000 2.568 253 S HA 0.147 5.276 4.470 1.099 0.000 0.282 253 S C -1.871 172.722 174.600 -0.013 0.000 1.338 253 S CA -1.136 57.076 58.200 0.020 0.000 1.045 253 S CB 0.727 63.952 63.200 0.041 0.000 0.873 253 S HN -0.015 nan 8.310 nan 0.000 0.516 254 P HA -0.034 nan 4.420 nan 0.000 0.222 254 P C 0.713 178.002 177.300 -0.018 0.000 1.147 254 P CA 0.797 63.889 63.100 -0.013 0.000 0.790 254 P CB -0.006 31.697 31.700 0.004 0.000 0.780 255 N N -0.557 118.139 118.700 -0.007 0.000 2.268 255 N HA 0.086 5.485 4.740 1.099 0.000 0.204 255 N C 0.662 176.161 175.510 -0.018 0.000 1.124 255 N CA -0.068 52.977 53.050 -0.008 0.000 0.838 255 N CB 0.128 38.618 38.487 0.006 0.000 0.994 255 N HN -0.060 nan 8.380 nan 0.000 0.489 256 A N -0.176 122.622 122.820 -0.036 0.000 2.327 256 A HA 0.118 5.098 4.320 1.099 0.000 0.228 256 A C 1.639 179.179 177.584 -0.074 0.000 1.275 256 A CA 0.018 52.025 52.037 -0.051 0.000 0.875 256 A CB -0.356 18.603 19.000 -0.069 0.000 0.925 256 A HN 0.199 nan 8.150 nan 0.000 0.493 257 T N 1.336 115.853 114.554 -0.063 0.000 2.759 257 T HA -0.169 4.840 4.350 1.099 0.000 0.269 257 T C 1.666 176.330 174.700 -0.060 0.000 1.042 257 T CA 1.864 63.924 62.100 -0.067 0.000 1.140 257 T CB -0.260 68.579 68.868 -0.049 0.000 0.864 257 T HN 0.875 nan 8.240 nan 0.000 0.455 258 D N 0.936 121.308 120.400 -0.047 0.000 2.271 258 D HA -0.051 5.248 4.640 1.099 0.000 0.206 258 D C 2.073 178.341 176.300 -0.052 0.000 0.967 258 D CA 1.331 55.305 54.000 -0.043 0.000 0.867 258 D CB -0.792 39.992 40.800 -0.027 0.000 0.960 258 D HN 0.533 nan 8.370 nan 0.000 0.509 259 T N -1.306 113.220 114.554 -0.046 0.000 3.035 259 T HA 0.150 5.160 4.350 1.099 0.000 0.259 259 T C 2.345 177.020 174.700 -0.041 0.000 1.078 259 T CA -0.022 62.055 62.100 -0.039 0.000 1.132 259 T CB -0.482 68.385 68.868 -0.002 0.000 0.900 259 T HN 0.080 nan 8.240 nan 0.000 0.480 260 I N 2.720 123.255 120.570 -0.058 0.000 2.163 260 I HA -0.095 4.735 4.170 1.099 0.000 0.243 260 I C -0.212 175.886 176.117 -0.031 0.000 1.085 260 I CA 1.438 62.706 61.300 -0.053 0.000 1.347 260 I CB -1.025 36.853 38.000 -0.204 0.000 1.044 260 I HN 0.244 nan 8.210 nan 0.000 0.408 261 P HA -0.154 nan 4.420 nan 0.000 0.218 261 P C 1.915 179.097 177.300 -0.196 0.000 1.149 261 P CA 1.552 64.592 63.100 -0.099 0.000 0.817 261 P CB -0.000 31.646 31.700 -0.089 0.000 0.785 262 L N -0.824 120.234 121.223 -0.274 0.000 2.072 262 L HA -0.100 4.899 4.340 1.099 0.000 0.205 262 L C 2.790 179.184 176.870 -0.793 0.000 1.079 262 L CA 1.071 55.541 54.840 -0.617 0.000 0.752 262 L CB -1.094 40.659 42.059 -0.509 0.000 0.906 262 L HN -0.184 nan 8.230 nan 0.000 0.436 263 V N -0.003 119.725 119.914 -0.311 0.000 2.287 263 V HA -0.306 4.473 4.120 1.099 0.000 0.248 263 V C 2.653 178.678 176.094 -0.115 0.000 1.053 263 V CA 1.828 64.077 62.300 -0.086 0.000 1.027 263 V CB -0.632 31.318 31.823 0.213 0.000 0.646 263 V HN 0.411 nan 8.190 nan 0.000 0.447 264 R N 0.631 121.096 120.500 -0.058 0.000 2.081 264 R HA -0.148 4.852 4.340 1.099 0.000 0.235 264 R C 2.645 178.893 176.300 -0.086 0.000 1.131 264 R CA 1.763 57.843 56.100 -0.033 0.000 0.960 264 R CB -0.631 29.681 30.300 0.019 0.000 0.856 264 R HN 0.710 nan 8.270 nan 0.000 0.436 265 S N 0.479 116.079 115.700 -0.168 0.000 2.382 265 S HA -0.120 5.010 4.470 1.099 0.000 0.228 265 S C 1.780 176.408 174.600 0.047 0.000 1.027 265 S CA 1.003 59.144 58.200 -0.098 0.000 0.991 265 S CB -0.350 62.758 63.200 -0.153 0.000 0.823 265 S HN 0.143 nan 8.310 nan 0.000 0.469 266 F N 2.268 122.075 119.950 -0.238 0.000 2.367 266 F HA 0.430 5.615 4.527 1.097 0.000 0.298 266 F C 2.763 178.378 175.800 -0.307 0.000 1.094 266 F CA -0.452 57.314 58.000 -0.391 0.000 1.409 266 F CB -1.374 36.981 39.000 -1.075 0.000 1.064 266 F HN 0.365 nan 8.300 nan 0.000 0.528 267 A N 0.101 122.906 122.820 -0.025 0.000 2.016 267 A HA -0.089 4.890 4.320 1.099 0.000 0.217 267 A C 2.020 179.600 177.584 -0.008 0.000 1.162 267 A CA 1.194 53.237 52.037 0.011 0.000 0.662 267 A CB -0.512 18.486 19.000 -0.003 0.000 0.812 267 A HN 0.245 nan 8.150 nan 0.000 0.450 268 N N -0.356 118.341 118.700 -0.005 0.000 2.354 268 N HA 0.008 5.407 4.740 1.099 0.000 0.179 268 N C 0.232 175.739 175.510 -0.005 0.000 1.021 268 N CA 1.019 54.064 53.050 -0.008 0.000 0.887 268 N CB 0.099 38.582 38.487 -0.007 0.000 0.974 268 N HN 0.321 nan 8.380 nan 0.000 0.437 269 S N -0.928 114.780 115.700 0.013 0.000 2.677 269 S HA 0.305 5.434 4.470 1.099 0.000 0.283 269 S C 0.688 175.273 174.600 -0.024 0.000 1.159 269 S CA -0.586 57.611 58.200 -0.005 0.000 1.001 269 S CB 1.066 64.274 63.200 0.014 0.000 1.032 269 S HN 0.019 nan 8.310 nan 0.000 0.487 270 T N 3.826 118.311 114.554 -0.116 0.000 2.746 270 T HA -0.142 4.867 4.350 1.099 0.000 0.267 270 T C 1.790 176.279 174.700 -0.352 0.000 1.039 270 T CA 1.719 63.644 62.100 -0.292 0.000 1.142 270 T CB -0.270 68.329 68.868 -0.448 0.000 0.866 270 T HN 0.763 nan 8.240 nan 0.000 0.444 271 Q N 0.312 119.992 119.800 -0.199 0.000 2.084 271 Q HA -0.149 4.850 4.340 1.099 0.000 0.202 271 Q C 2.240 178.221 176.000 -0.031 0.000 0.978 271 Q CA 1.697 57.440 55.803 -0.101 0.000 0.844 271 Q CB -0.229 28.481 28.738 -0.047 0.000 0.898 271 Q HN 0.443 nan 8.270 nan 0.000 0.426 272 T N 0.828 115.387 114.554 0.009 0.000 2.746 272 T HA -0.156 4.854 4.350 1.099 0.000 0.267 272 T C 1.281 175.978 174.700 -0.004 0.000 1.039 272 T CA 1.309 63.454 62.100 0.074 0.000 1.142 272 T CB -0.437 68.537 68.868 0.176 0.000 0.866 272 T HN 0.359 nan 8.240 nan 0.000 0.444 273 F N 1.697 121.500 119.950 -0.244 0.000 2.084 273 F HA 0.001 5.187 4.527 1.098 0.000 0.296 273 F C 1.774 177.487 175.800 -0.145 0.000 1.111 273 F CA 0.653 58.315 58.000 -0.563 0.000 1.224 273 F CB -0.828 37.956 39.000 -0.359 0.000 0.991 273 F HN 0.047 nan 8.300 nan 0.000 0.471 274 F N 1.426 121.059 119.950 -0.527 0.000 2.126 274 F HA -0.230 4.956 4.527 1.098 0.000 0.299 274 F C 2.395 177.965 175.800 -0.382 0.000 1.096 274 F CA 1.398 59.087 58.000 -0.520 0.000 1.255 274 F CB -1.665 37.183 39.000 -0.253 0.000 0.997 274 F HN 0.086 nan 8.300 nan 0.000 0.479 275 N N 0.223 118.881 118.700 -0.069 0.000 2.120 275 N HA -0.132 5.268 4.740 1.099 0.000 0.188 275 N C 2.055 177.463 175.510 -0.171 0.000 1.024 275 N CA 1.515 54.497 53.050 -0.112 0.000 0.852 275 N CB -0.730 37.728 38.487 -0.047 0.000 1.003 275 N HN 0.238 nan 8.380 nan 0.000 0.424 276 A N 0.116 122.827 122.820 -0.182 0.000 1.969 276 A HA -0.082 4.897 4.320 1.099 0.000 0.218 276 A C 2.087 179.561 177.584 -0.183 0.000 1.169 276 A CA 0.731 52.677 52.037 -0.151 0.000 0.635 276 A CB -0.790 18.090 19.000 -0.199 0.000 0.810 276 A HN 0.274 nan 8.150 nan 0.000 0.445 277 F N 0.534 120.213 119.950 -0.451 0.000 2.146 277 F HA -0.118 5.067 4.527 1.096 0.000 0.298 277 F C 2.243 177.751 175.800 -0.486 0.000 1.096 277 F CA 1.790 59.536 58.000 -0.424 0.000 1.275 277 F CB -0.228 38.384 39.000 -0.647 0.000 1.008 277 F HN 0.027 nan 8.300 nan 0.000 0.480 278 V N 0.350 119.882 119.914 -0.637 0.000 2.343 278 V HA -0.308 4.471 4.120 1.099 0.000 0.247 278 V C 2.374 178.071 176.094 -0.663 0.000 1.051 278 V CA 2.270 63.934 62.300 -1.059 0.000 1.036 278 V CB -0.741 30.436 31.823 -1.078 0.000 0.654 278 V HN 0.410 nan 8.190 nan 0.000 0.451 279 E N 0.203 120.165 120.200 -0.398 0.000 2.051 279 E HA -0.236 4.773 4.350 1.099 0.000 0.192 279 E C 2.223 178.712 176.600 -0.185 0.000 0.991 279 E CA 1.495 57.759 56.400 -0.226 0.000 0.799 279 E CB -0.257 29.366 29.700 -0.129 0.000 0.748 279 E HN 0.562 nan 8.360 nan 0.000 0.449 280 A N 0.700 123.398 122.820 -0.203 0.000 1.930 280 A HA -0.147 4.833 4.320 1.099 0.000 0.217 280 A C 2.169 179.642 177.584 -0.185 0.000 1.175 280 A CA 1.271 53.229 52.037 -0.132 0.000 0.627 280 A CB -0.348 18.607 19.000 -0.074 0.000 0.815 280 A HN 0.279 nan 8.150 nan 0.000 0.443 281 M N -0.035 119.335 119.600 -0.384 0.000 2.117 281 M HA -0.135 5.005 4.480 1.099 0.000 0.262 281 M C 1.308 177.595 176.300 -0.022 0.000 1.065 281 M CA 1.513 56.653 55.300 -0.266 0.000 1.114 281 M CB -1.291 31.070 32.600 -0.397 0.000 1.361 281 M HN 0.333 nan 8.290 nan 0.000 0.408 282 D N -0.455 119.920 120.400 -0.043 0.000 2.178 282 D HA -0.078 5.221 4.640 1.099 0.000 0.202 282 D C 2.167 178.483 176.300 0.025 0.000 0.974 282 D CA 0.897 54.929 54.000 0.053 0.000 0.841 282 D CB -0.159 40.662 40.800 0.035 0.000 0.953 282 D HN 0.320 nan 8.370 nan 0.000 0.478 283 R N -0.081 120.412 120.500 -0.011 0.000 2.075 283 R HA 0.008 5.007 4.340 1.099 0.000 0.232 283 R C 2.327 178.629 176.300 0.004 0.000 1.126 283 R CA 0.836 56.935 56.100 -0.002 0.000 0.963 283 R CB -0.225 30.074 30.300 -0.001 0.000 0.858 283 R HN 0.191 nan 8.270 nan 0.000 0.435 284 M N -0.096 119.514 119.600 0.017 0.000 2.175 284 M HA -0.056 5.084 4.480 1.099 0.000 0.264 284 M C 1.821 178.133 176.300 0.019 0.000 1.063 284 M CA 2.014 57.329 55.300 0.025 0.000 1.119 284 M CB -0.119 32.524 32.600 0.072 0.000 1.377 284 M HN 0.240 nan 8.290 nan 0.000 0.415 285 G N -0.212 108.635 108.800 0.079 0.000 2.625 285 G HA2 -0.210 4.410 3.960 1.099 0.000 0.214 285 G HA3 -0.210 4.410 3.960 1.099 0.000 0.214 285 G C 0.929 175.864 174.900 0.059 0.000 1.132 285 G CA 0.672 45.850 45.100 0.130 0.000 0.782 285 G HN 0.513 nan 8.290 nan 0.000 0.538 286 N N -0.180 118.532 118.700 0.020 0.000 2.230 286 N HA 0.176 5.575 4.740 1.099 0.000 0.202 286 N C 0.293 175.782 175.510 -0.034 0.000 1.119 286 N CA -0.352 52.695 53.050 -0.006 0.000 0.851 286 N CB -0.032 38.452 38.487 -0.006 0.000 0.990 286 N HN 0.153 nan 8.380 nan 0.000 0.497 287 I N 1.736 122.276 120.570 -0.050 0.000 2.517 287 I HA -0.033 4.797 4.170 1.099 0.000 0.285 287 I C 0.436 176.501 176.117 -0.086 0.000 1.106 287 I CA -0.175 61.071 61.300 -0.090 0.000 1.402 287 I CB 0.238 38.154 38.000 -0.140 0.000 1.399 287 I HN 0.269 nan 8.210 nan 0.000 0.535 288 T N 4.552 119.053 114.554 -0.088 0.000 3.107 288 T HA -0.126 4.883 4.350 1.099 0.000 0.431 288 T C -1.948 172.711 174.700 -0.069 0.000 0.773 288 T CA -0.697 61.353 62.100 -0.083 0.000 2.334 288 T CB -1.835 66.967 68.868 -0.110 0.000 1.592 288 T HN 0.471 nan 8.240 nan 0.000 0.542 289 P HA 0.490 nan 4.420 nan 0.000 0.277 289 P C 0.249 177.523 177.300 -0.043 0.000 1.240 289 P CA -0.898 62.175 63.100 -0.046 0.000 0.798 289 P CB 1.009 32.679 31.700 -0.049 0.000 0.979 290 L N 2.116 123.319 121.223 -0.034 0.000 2.292 290 L HA 0.445 5.444 4.340 1.099 0.000 0.284 290 L C 1.181 178.026 176.870 -0.041 0.000 1.065 290 L CA -0.014 54.811 54.840 -0.025 0.000 0.806 290 L CB 1.265 43.321 42.059 -0.005 0.000 1.175 290 L HN 0.574 nan 8.230 nan 0.000 0.431 291 T N -1.104 113.427 114.554 -0.037 0.000 2.804 291 T HA 0.760 5.769 4.350 1.099 0.000 0.290 291 T C 0.489 175.181 174.700 -0.013 0.000 1.099 291 T CA -0.046 62.023 62.100 -0.052 0.000 1.011 291 T CB 1.787 70.616 68.868 -0.065 0.000 1.291 291 T HN 0.864 nan 8.240 nan 0.000 0.523 292 G N 1.295 110.098 108.800 0.005 0.000 2.620 292 G HA2 -0.356 4.263 3.960 1.099 0.000 0.315 292 G HA3 -0.356 4.263 3.960 1.099 0.000 0.315 292 G C 0.988 175.917 174.900 0.048 0.000 1.179 292 G CA 1.920 47.045 45.100 0.041 0.000 0.971 292 G HN 2.094 nan 8.290 nan 0.000 0.544 293 T N -0.917 113.657 114.554 0.035 0.000 3.044 293 T HA 0.476 5.485 4.350 1.099 0.000 0.260 293 T C 0.806 175.523 174.700 0.028 0.000 1.019 293 T CA 0.973 63.094 62.100 0.036 0.000 0.921 293 T CB 0.294 69.181 68.868 0.030 0.000 1.053 293 T HN 0.745 nan 8.240 nan 0.000 0.533 294 Q N 1.540 121.352 119.800 0.021 0.000 2.332 294 Q HA 0.500 5.500 4.340 1.099 0.000 0.263 294 Q C 1.103 177.115 176.000 0.021 0.000 0.979 294 Q CA 0.354 56.167 55.803 0.017 0.000 0.885 294 Q CB 0.716 29.458 28.738 0.008 0.000 1.218 294 Q HN 0.582 nan 8.270 nan 0.000 0.405 295 G N 1.754 110.569 108.800 0.024 0.000 2.645 295 G HA2 -0.282 4.337 3.960 1.099 0.000 0.246 295 G HA3 -0.282 4.337 3.960 1.099 0.000 0.246 295 G C -0.705 174.215 174.900 0.034 0.000 1.322 295 G CA -0.087 45.030 45.100 0.028 0.000 0.898 295 G HN 0.668 nan 8.290 nan 0.000 0.573 296 Q N -1.524 118.298 119.800 0.038 0.000 2.882 296 Q HA 0.739 5.738 4.340 1.099 0.000 0.315 296 Q C -0.739 175.294 176.000 0.054 0.000 1.004 296 Q CA -1.185 54.645 55.803 0.045 0.000 0.777 296 Q CB 1.769 30.531 28.738 0.040 0.000 1.506 296 Q HN 0.463 nan 8.270 nan 0.000 0.489 297 I N 1.892 122.498 120.570 0.060 0.000 2.361 297 I HA 0.286 5.116 4.170 1.099 0.000 0.282 297 I C -0.076 176.071 176.117 0.051 0.000 1.075 297 I CA -0.287 61.054 61.300 0.069 0.000 1.205 297 I CB 0.445 38.496 38.000 0.086 0.000 1.406 297 I HN 0.558 nan 8.210 nan 0.000 0.481 298 R N 3.710 124.237 120.500 0.046 0.000 2.522 298 R HA 0.086 5.085 4.340 1.099 0.000 0.284 298 R C 0.577 176.895 176.300 0.031 0.000 1.032 298 R CA -0.220 55.903 56.100 0.038 0.000 1.049 298 R CB 0.865 31.189 30.300 0.041 0.000 0.956 298 R HN 0.401 nan 8.270 nan 0.000 0.422 299 L N 2.620 123.859 121.223 0.026 0.000 2.202 299 L HA 0.066 5.065 4.340 1.099 0.000 0.205 299 L C 0.730 177.610 176.870 0.017 0.000 1.083 299 L CA 1.140 55.992 54.840 0.019 0.000 0.790 299 L CB -0.406 41.662 42.059 0.016 0.000 0.942 299 L HN 0.545 nan 8.230 nan 0.000 0.452 300 N N -1.196 117.517 118.700 0.021 0.000 2.479 300 N HA 0.088 5.487 4.740 1.099 0.000 0.261 300 N C 0.568 176.096 175.510 0.030 0.000 0.979 300 N CA -0.323 52.739 53.050 0.021 0.000 0.930 300 N CB 1.306 39.802 38.487 0.016 0.000 1.172 300 N HN -0.001 nan 8.380 nan 0.000 0.499 301 c N 2.514 121.136 118.600 0.036 0.000 2.409 301 c HA -0.012 5.218 4.570 1.099 0.000 0.288 301 c C 2.121 176.240 174.090 0.048 0.000 1.395 301 c CA 0.489 56.848 56.329 0.049 0.000 1.792 301 c CB -0.919 41.630 42.510 0.064 0.000 1.847 301 c HN 0.689 nan 8.230 nan 0.000 0.534 302 R N 0.284 120.805 120.500 0.034 0.000 2.240 302 R HA 0.107 5.106 4.340 1.099 0.000 0.203 302 R C 0.520 176.836 176.300 0.027 0.000 1.011 302 R CA 0.652 56.762 56.100 0.017 0.000 1.007 302 R CB 0.082 30.380 30.300 -0.003 0.000 0.911 302 R HN 0.558 nan 8.270 nan 0.000 0.468 303 V N -3.118 116.816 119.914 0.033 0.000 3.007 303 V HA 0.468 5.247 4.120 1.099 0.000 0.311 303 V C 0.016 176.141 176.094 0.052 0.000 1.120 303 V CA -1.280 61.044 62.300 0.041 0.000 0.980 303 V CB 2.163 33.995 31.823 0.014 0.000 1.033 303 V HN -0.295 nan 8.190 nan 0.000 0.429 304 V N 3.061 123.019 119.914 0.073 0.000 2.811 304 V HA 0.242 5.022 4.120 1.099 0.000 0.302 304 V C 0.626 176.745 176.094 0.042 0.000 1.063 304 V CA -0.301 62.038 62.300 0.064 0.000 1.088 304 V CB 0.663 32.541 31.823 0.090 0.000 0.982 304 V HN 0.998 nan 8.190 nan 0.000 0.485 305 N N 2.387 121.109 118.700 0.035 0.000 2.492 305 N HA 0.200 5.599 4.740 1.099 0.000 0.260 305 N C 0.089 175.613 175.510 0.024 0.000 1.215 305 N CA 0.042 53.108 53.050 0.027 0.000 0.923 305 N CB 0.947 39.450 38.487 0.027 0.000 1.092 305 N HN 0.923 nan 8.380 nan 0.000 0.448 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.129 4.470 1.099 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.203 63.200 0.006 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517