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 1h5g_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 0.000 175.987 176.000 -0.022 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 L N 1.368 122.566 121.223 -0.040 0.000 2.426 2 L HA 0.587 5.575 4.340 1.081 0.000 0.271 2 L C 0.702 177.561 176.870 -0.019 0.000 1.169 2 L CA 0.144 54.944 54.840 -0.066 0.000 0.836 2 L CB 0.909 42.927 42.059 -0.069 0.000 1.112 2 L HN 0.618 nan 8.230 nan 0.000 0.465 3 T N 1.989 116.540 114.554 -0.005 0.000 2.912 3 T HA 0.395 5.393 4.350 1.081 0.000 0.299 3 T C -2.234 172.492 174.700 0.044 0.000 1.052 3 T CA -1.632 60.489 62.100 0.035 0.000 0.996 3 T CB 2.056 70.961 68.868 0.062 0.000 1.070 3 T HN 0.234 nan 8.240 nan 0.000 0.465 4 P HA -0.011 nan 4.420 nan 0.000 0.222 4 P C 1.219 178.551 177.300 0.054 0.000 1.147 4 P CA 1.017 64.144 63.100 0.044 0.000 0.790 4 P CB 0.022 31.749 31.700 0.044 0.000 0.780 5 T N -5.626 108.957 114.554 0.049 0.000 3.144 5 T HA 0.058 5.056 4.350 1.081 0.000 0.249 5 T C 1.390 176.095 174.700 0.008 0.000 1.089 5 T CA -0.314 61.805 62.100 0.031 0.000 0.989 5 T CB -1.291 67.582 68.868 0.009 0.000 0.992 5 T HN -0.113 nan 8.240 nan 0.000 0.540 6 F N 2.137 121.985 119.950 -0.169 0.000 2.111 6 F HA -0.163 5.014 4.527 1.082 0.000 0.300 6 F C 0.975 176.535 175.800 -0.400 0.000 1.088 6 F CA 1.370 59.163 58.000 -0.346 0.000 1.243 6 F CB -0.217 38.440 39.000 -0.571 0.000 0.996 6 F HN 0.273 nan 8.300 nan 0.000 0.483 7 Y N -0.673 119.667 120.300 0.067 0.000 2.607 7 Y HA 0.153 5.351 4.550 1.080 0.000 0.266 7 Y C 1.482 177.359 175.900 -0.039 0.000 1.178 7 Y CA -0.607 57.484 58.100 -0.015 0.000 1.226 7 Y CB -0.703 37.798 38.460 0.069 0.000 1.144 7 Y HN -0.035 nan 8.280 nan 0.000 0.528 8 D N -0.056 120.376 120.400 0.052 0.000 2.263 8 D HA -0.136 5.152 4.640 1.081 0.000 0.208 8 D C 1.324 177.627 176.300 0.005 0.000 0.971 8 D CA 1.104 55.121 54.000 0.028 0.000 0.867 8 D CB 0.190 40.993 40.800 0.005 0.000 0.929 8 D HN 0.355 nan 8.370 nan 0.000 0.492 9 N N -0.724 117.964 118.700 -0.020 0.000 2.545 9 N HA -0.040 5.349 4.740 1.081 0.000 0.190 9 N C 1.746 177.250 175.510 -0.011 0.000 1.043 9 N CA 0.706 53.739 53.050 -0.027 0.000 0.879 9 N CB 0.080 38.533 38.487 -0.058 0.000 1.210 9 N HN 0.096 nan 8.380 nan 0.000 0.437 10 S N -1.089 114.610 115.700 -0.000 0.000 2.461 10 S HA 0.063 5.182 4.470 1.081 0.000 0.228 10 S C 1.168 175.800 174.600 0.053 0.000 1.005 10 S CA 0.029 58.247 58.200 0.031 0.000 0.942 10 S CB -0.024 63.206 63.200 0.050 0.000 0.776 10 S HN 0.293 nan 8.310 nan 0.000 0.514 11 c N 2.631 121.277 118.600 0.076 0.000 3.079 11 c HA 0.406 5.625 4.570 1.081 0.000 0.246 11 c C -1.962 172.148 174.090 0.033 0.000 1.025 11 c CA -1.071 55.271 56.329 0.021 0.000 1.081 11 c CB 0.797 43.268 42.510 -0.065 0.000 1.757 11 c HN 0.330 nan 8.230 nan 0.000 0.646 12 P HA -0.133 nan 4.420 nan 0.000 0.219 12 P C 0.656 177.959 177.300 0.005 0.000 1.146 12 P CA 1.619 64.733 63.100 0.025 0.000 0.808 12 P CB -0.009 31.698 31.700 0.011 0.000 0.779 13 N N -0.571 118.121 118.700 -0.013 0.000 2.322 13 N HA 0.015 5.404 4.740 1.081 0.000 0.194 13 N C 1.644 177.128 175.510 -0.044 0.000 1.126 13 N CA -0.351 52.684 53.050 -0.026 0.000 0.845 13 N CB 0.096 38.567 38.487 -0.026 0.000 0.976 13 N HN -0.051 nan 8.380 nan 0.000 0.475 14 V N 0.444 120.324 119.914 -0.057 0.000 2.287 14 V HA -0.285 4.484 4.120 1.081 0.000 0.248 14 V C 2.347 178.392 176.094 -0.081 0.000 1.053 14 V CA 2.043 64.285 62.300 -0.097 0.000 1.027 14 V CB -0.347 31.374 31.823 -0.171 0.000 0.646 14 V HN 0.283 nan 8.190 nan 0.000 0.447 15 S N -0.050 115.613 115.700 -0.062 0.000 2.368 15 S HA -0.208 4.911 4.470 1.081 0.000 0.225 15 S C 1.840 176.397 174.600 -0.071 0.000 1.030 15 S CA 1.901 60.057 58.200 -0.075 0.000 0.999 15 S CB -0.598 62.559 63.200 -0.072 0.000 0.844 15 S HN 0.785 nan 8.310 nan 0.000 0.459 16 N N 1.198 119.865 118.700 -0.054 0.000 2.188 16 N HA 0.008 5.397 4.740 1.081 0.000 0.184 16 N C 1.787 177.269 175.510 -0.046 0.000 1.018 16 N CA 1.363 54.386 53.050 -0.046 0.000 0.858 16 N CB -0.396 38.071 38.487 -0.035 0.000 0.989 16 N HN 0.475 nan 8.380 nan 0.000 0.426 17 I N 0.619 121.159 120.570 -0.050 0.000 2.315 17 I HA -0.184 4.634 4.170 1.081 0.000 0.248 17 I C 2.134 178.220 176.117 -0.052 0.000 1.117 17 I CA 0.668 61.939 61.300 -0.048 0.000 1.404 17 I CB -0.183 37.785 38.000 -0.053 0.000 1.071 17 I HN -0.109 nan 8.210 nan 0.000 0.419 18 V N 0.930 120.806 119.914 -0.064 0.000 2.307 18 V HA -0.276 4.493 4.120 1.081 0.000 0.245 18 V C 2.656 178.713 176.094 -0.062 0.000 1.045 18 V CA 1.952 64.211 62.300 -0.068 0.000 1.024 18 V CB -0.749 31.022 31.823 -0.087 0.000 0.651 18 V HN 0.419 nan 8.190 nan 0.000 0.449 19 R N 0.139 120.601 120.500 -0.064 0.000 2.083 19 R HA -0.211 4.778 4.340 1.081 0.000 0.237 19 R C 2.071 178.348 176.300 -0.040 0.000 1.137 19 R CA 2.268 58.334 56.100 -0.057 0.000 0.951 19 R CB -0.450 29.815 30.300 -0.058 0.000 0.851 19 R HN 0.479 nan 8.270 nan 0.000 0.434 20 D N -0.355 120.023 120.400 -0.035 0.000 2.123 20 D HA -0.139 5.150 4.640 1.081 0.000 0.196 20 D C 1.792 178.078 176.300 -0.024 0.000 0.992 20 D CA 1.885 55.870 54.000 -0.026 0.000 0.833 20 D CB -0.465 40.321 40.800 -0.024 0.000 0.954 20 D HN 0.304 nan 8.370 nan 0.000 0.455 21 T N 0.914 115.451 114.554 -0.028 0.000 2.684 21 T HA -0.092 4.907 4.350 1.081 0.000 0.267 21 T C 2.206 176.892 174.700 -0.023 0.000 1.036 21 T CA 0.724 62.809 62.100 -0.025 0.000 1.148 21 T CB -0.213 68.638 68.868 -0.029 0.000 0.863 21 T HN 0.186 nan 8.240 nan 0.000 0.436 22 I N 0.807 121.359 120.570 -0.028 0.000 2.315 22 I HA -0.125 4.694 4.170 1.081 0.000 0.248 22 I C 2.457 178.566 176.117 -0.015 0.000 1.117 22 I CA 0.750 62.035 61.300 -0.025 0.000 1.404 22 I CB -0.524 37.457 38.000 -0.031 0.000 1.071 22 I HN 0.088 nan 8.210 nan 0.000 0.419 23 V N 1.495 121.400 119.914 -0.014 0.000 2.287 23 V HA -0.280 4.488 4.120 1.081 0.000 0.248 23 V C 2.217 178.309 176.094 -0.004 0.000 1.053 23 V CA 1.964 64.260 62.300 -0.006 0.000 1.027 23 V CB -0.842 30.977 31.823 -0.008 0.000 0.646 23 V HN 0.474 nan 8.190 nan 0.000 0.447 24 N N 0.103 118.799 118.700 -0.007 0.000 2.084 24 N HA -0.187 5.201 4.740 1.081 0.000 0.190 24 N C 1.951 177.459 175.510 -0.004 0.000 1.030 24 N CA 1.540 54.587 53.050 -0.005 0.000 0.849 24 N CB -0.316 38.167 38.487 -0.007 0.000 1.012 24 N HN 0.511 nan 8.380 nan 0.000 0.423 25 E N 1.369 121.565 120.200 -0.008 0.000 2.110 25 E HA -0.007 4.991 4.350 1.081 0.000 0.193 25 E C 2.034 178.630 176.600 -0.006 0.000 0.988 25 E CA 0.550 56.945 56.400 -0.008 0.000 0.804 25 E CB -0.373 29.318 29.700 -0.015 0.000 0.745 25 E HN 0.301 nan 8.360 nan 0.000 0.458 26 L N 0.045 121.266 121.223 -0.003 0.000 2.187 26 L HA -0.164 4.824 4.340 1.081 0.000 0.213 26 L C 2.521 179.395 176.870 0.008 0.000 1.100 26 L CA 1.100 55.943 54.840 0.004 0.000 0.765 26 L CB -0.263 41.803 42.059 0.012 0.000 0.904 26 L HN 0.119 nan 8.230 nan 0.000 0.437 27 R N -0.466 120.038 120.500 0.006 0.000 2.081 27 R HA -0.128 4.861 4.340 1.081 0.000 0.235 27 R C 2.433 178.738 176.300 0.007 0.000 1.131 27 R CA 1.797 57.902 56.100 0.008 0.000 0.960 27 R CB -0.289 30.015 30.300 0.006 0.000 0.856 27 R HN 0.475 nan 8.270 nan 0.000 0.436 28 S N -0.720 114.983 115.700 0.004 0.000 2.492 28 S HA -0.015 5.104 4.470 1.081 0.000 0.218 28 S C 0.265 174.867 174.600 0.003 0.000 1.016 28 S CA -0.021 58.181 58.200 0.004 0.000 0.916 28 S CB 0.449 63.651 63.200 0.003 0.000 0.791 28 S HN 0.099 nan 8.310 nan 0.000 0.513 29 D N 1.839 122.239 120.400 -0.001 0.000 2.346 29 D HA 0.346 5.635 4.640 1.081 0.000 0.255 29 D C -2.292 174.004 176.300 -0.008 0.000 1.276 29 D CA -2.091 51.906 54.000 -0.006 0.000 0.941 29 D CB 1.873 42.665 40.800 -0.012 0.000 1.199 29 D HN -0.041 nan 8.370 nan 0.000 0.537 30 P HA -0.070 nan 4.420 nan 0.000 0.234 30 P C 1.042 178.334 177.300 -0.013 0.000 1.167 30 P CA 0.294 63.399 63.100 0.007 0.000 0.763 30 P CB 0.392 32.105 31.700 0.021 0.000 0.835 31 R N -0.474 120.005 120.500 -0.036 0.000 2.280 31 R HA 0.087 5.076 4.340 1.081 0.000 0.195 31 R C 2.010 178.235 176.300 -0.124 0.000 0.935 31 R CA -0.122 55.929 56.100 -0.082 0.000 1.033 31 R CB -0.474 29.793 30.300 -0.056 0.000 0.964 31 R HN -0.038 nan 8.270 nan 0.000 0.489 32 I N 1.368 121.887 120.570 -0.085 0.000 2.335 32 I HA -0.209 4.609 4.170 1.081 0.000 0.251 32 I C 1.973 178.024 176.117 -0.109 0.000 1.129 32 I CA 1.452 62.697 61.300 -0.090 0.000 1.402 32 I CB -0.240 37.726 38.000 -0.057 0.000 1.069 32 I HN 0.236 nan 8.210 nan 0.000 0.424 33 A N 0.340 123.102 122.820 -0.097 0.000 1.877 33 A HA -0.122 4.846 4.320 1.081 0.000 0.216 33 A C 2.524 179.994 177.584 -0.190 0.000 1.186 33 A CA 1.985 53.990 52.037 -0.053 0.000 0.620 33 A CB -1.361 17.694 19.000 0.091 0.000 0.822 33 A HN 0.513 nan 8.150 nan 0.000 0.443 34 A N -0.522 121.941 122.820 -0.596 0.000 1.902 34 A HA -0.078 4.891 4.320 1.081 0.000 0.217 34 A C 2.443 179.823 177.584 -0.341 0.000 1.181 34 A CA 2.131 53.604 52.037 -0.941 0.000 0.623 34 A CB -0.938 17.377 19.000 -1.142 0.000 0.818 34 A HN 0.471 nan 8.150 nan 0.000 0.443 35 S N -0.120 115.432 115.700 -0.245 0.000 2.370 35 S HA -0.122 4.997 4.470 1.081 0.000 0.226 35 S C 1.786 176.298 174.600 -0.145 0.000 1.033 35 S CA 1.538 59.635 58.200 -0.171 0.000 1.011 35 S CB -0.485 62.620 63.200 -0.158 0.000 0.852 35 S HN 0.544 nan 8.310 nan 0.000 0.457 36 I N 0.916 121.417 120.570 -0.114 0.000 2.315 36 I HA -0.140 4.678 4.170 1.081 0.000 0.248 36 I C 2.285 178.407 176.117 0.009 0.000 1.117 36 I CA 0.667 61.924 61.300 -0.072 0.000 1.404 36 I CB -0.283 37.683 38.000 -0.058 0.000 1.071 36 I HN 0.240 nan 8.210 nan 0.000 0.419 37 L N 1.062 122.321 121.223 0.059 0.000 2.046 37 L HA -0.197 4.791 4.340 1.081 0.000 0.208 37 L C 2.580 179.557 176.870 0.179 0.000 1.077 37 L CA 1.811 56.757 54.840 0.178 0.000 0.747 37 L CB -0.703 41.542 42.059 0.311 0.000 0.896 37 L HN 0.088 nan 8.230 nan 0.000 0.432 38 R N -0.738 119.805 120.500 0.072 0.000 2.115 38 R HA -0.112 4.876 4.340 1.081 0.000 0.230 38 R C 2.274 178.541 176.300 -0.055 0.000 1.111 38 R CA 1.513 57.626 56.100 0.022 0.000 0.976 38 R CB -0.275 29.963 30.300 -0.103 0.000 0.870 38 R HN 0.462 nan 8.270 nan 0.000 0.445 39 L N -0.630 120.562 121.223 -0.050 0.000 2.046 39 L HA -0.212 4.777 4.340 1.081 0.000 0.208 39 L C 2.528 179.460 176.870 0.103 0.000 1.077 39 L CA 1.567 56.391 54.840 -0.028 0.000 0.747 39 L CB -0.614 41.391 42.059 -0.090 0.000 0.896 39 L HN 0.339 nan 8.230 nan 0.000 0.432 40 H N -0.181 118.923 119.070 0.056 0.000 2.353 40 H HA -0.253 4.952 4.556 1.082 0.000 0.300 40 H C 1.929 177.360 175.328 0.172 0.000 1.090 40 H CA 1.766 57.874 56.048 0.100 0.000 1.327 40 H CB -0.204 29.614 29.762 0.094 0.000 1.383 40 H HN 0.271 nan 8.280 nan 0.000 0.508 41 F N 0.819 120.738 119.950 -0.051 0.000 2.069 41 F HA -0.196 4.974 4.527 1.071 0.000 0.298 41 F C 2.158 177.967 175.800 0.015 0.000 1.113 41 F CA 2.254 60.192 58.000 -0.104 0.000 1.214 41 F CB -1.141 37.791 39.000 -0.113 0.000 0.978 41 F HN 0.357 nan 8.300 nan 0.000 0.474 42 H N -1.388 117.403 119.070 -0.465 0.000 2.521 42 H HA -0.123 5.079 4.556 1.076 0.000 0.286 42 H C 1.621 176.833 175.328 -0.194 0.000 1.034 42 H CA 0.717 56.465 56.048 -0.499 0.000 1.278 42 H CB -0.005 29.576 29.762 -0.303 0.000 1.386 42 H HN 0.365 nan 8.280 nan 0.000 0.567 43 D N 0.322 120.738 120.400 0.026 0.000 2.110 43 D HA -0.108 5.181 4.640 1.081 0.000 0.202 43 D C 2.179 178.474 176.300 -0.008 0.000 0.975 43 D CA 0.810 54.834 54.000 0.041 0.000 0.839 43 D CB -0.484 40.368 40.800 0.086 0.000 0.996 43 D HN 0.222 nan 8.370 nan 0.000 0.464 44 c N -0.064 118.505 118.600 -0.052 0.000 2.411 44 c HA -0.069 5.150 4.570 1.081 0.000 0.279 44 c C 2.329 176.425 174.090 0.010 0.000 1.288 44 c CA 0.158 56.462 56.329 -0.042 0.000 1.764 44 c CB -1.577 40.877 42.510 -0.094 0.000 1.974 44 c HN 0.274 nan 8.230 nan 0.000 0.498 45 F N 0.446 120.262 119.950 -0.223 0.000 2.802 45 F HA 0.153 5.329 4.527 1.083 0.000 0.300 45 F C 0.730 176.401 175.800 -0.215 0.000 1.168 45 F CA 0.634 58.490 58.000 -0.239 0.000 1.433 45 F CB -0.010 38.779 39.000 -0.352 0.000 1.115 45 F HN -0.043 nan 8.300 nan 0.000 0.582 46 V N 0.290 120.164 119.914 -0.066 0.000 2.398 46 V HA 0.229 4.997 4.120 1.081 0.000 0.282 46 V C 0.206 176.172 176.094 -0.214 0.000 1.014 46 V CA -1.008 61.219 62.300 -0.122 0.000 0.838 46 V CB 0.949 32.742 31.823 -0.049 0.000 1.018 46 V HN 0.278 nan 8.190 nan 0.000 0.432 47 N N 3.427 121.921 118.700 -0.343 0.000 2.753 47 N HA -0.156 5.233 4.740 1.081 0.000 0.251 47 N C 0.368 175.731 175.510 -0.245 0.000 1.097 47 N CA 2.010 54.793 53.050 -0.444 0.000 0.786 47 N CB -0.752 37.190 38.487 -0.908 0.000 1.137 47 N HN 1.857 nan 8.380 nan 0.000 0.566 48 G N -1.992 106.700 108.800 -0.180 0.000 2.756 48 G HA2 -0.225 4.383 3.960 1.081 0.000 0.678 48 G HA3 -0.225 4.383 3.960 1.081 0.000 0.678 48 G C -0.007 174.855 174.900 -0.063 0.000 1.349 48 G CA -0.410 44.618 45.100 -0.120 0.000 0.847 48 G HN 0.856 nan 8.290 nan 0.000 0.548 49 c N 1.366 119.946 118.600 -0.035 0.000 2.423 49 c HA 0.483 5.702 4.570 1.081 0.000 0.378 49 c C 0.917 175.028 174.090 0.035 0.000 1.068 49 c CA 0.172 56.511 56.329 0.017 0.000 1.371 49 c CB -1.282 41.267 42.510 0.066 0.000 1.856 49 c HN 0.793 nan 8.230 nan 0.000 0.523 50 D N 0.543 120.967 120.400 0.040 0.000 2.563 50 D HA 0.258 5.547 4.640 1.081 0.000 0.237 50 D C 1.084 177.426 176.300 0.070 0.000 1.282 50 D CA 0.247 54.276 54.000 0.048 0.000 0.816 50 D CB -0.241 40.586 40.800 0.046 0.000 1.066 50 D HN 0.589 nan 8.370 nan 0.000 0.501 51 A N 0.697 123.568 122.820 0.085 0.000 2.861 51 A HA -0.295 4.673 4.320 1.081 0.000 0.261 51 A C 1.896 179.533 177.584 0.088 0.000 1.351 51 A CA 1.469 53.562 52.037 0.094 0.000 0.904 51 A CB -2.597 16.452 19.000 0.081 0.000 1.076 51 A HN 0.788 nan 8.150 nan 0.000 0.729 52 S N -0.602 115.156 115.700 0.097 0.000 2.399 52 S HA -0.093 5.025 4.470 1.081 0.000 0.231 52 S C 1.724 176.366 174.600 0.070 0.000 1.022 52 S CA 1.258 59.511 58.200 0.087 0.000 0.983 52 S CB -0.526 62.812 63.200 0.229 0.000 0.803 52 S HN 1.281 nan 8.310 nan 0.000 0.480 53 I N 0.848 121.484 120.570 0.109 0.000 2.614 53 I HA -0.012 4.807 4.170 1.081 0.000 0.258 53 I C 1.690 177.887 176.117 0.132 0.000 1.189 53 I CA 0.980 62.359 61.300 0.132 0.000 1.462 53 I CB -0.055 38.059 38.000 0.190 0.000 1.092 53 I HN 0.308 nan 8.210 nan 0.000 0.442 54 L N 0.547 121.850 121.223 0.134 0.000 2.492 54 L HA 0.047 5.036 4.340 1.081 0.000 0.223 54 L C 0.801 177.676 176.870 0.008 0.000 1.132 54 L CA 0.001 54.910 54.840 0.115 0.000 0.850 54 L CB -0.360 41.790 42.059 0.152 0.000 0.966 54 L HN 0.132 nan 8.230 nan 0.000 0.454 55 L N 0.551 121.786 121.223 0.021 0.000 2.416 55 L HA 0.073 5.061 4.340 1.081 0.000 0.272 55 L C 0.058 176.939 176.870 0.017 0.000 1.161 55 L CA 0.006 54.874 54.840 0.047 0.000 0.845 55 L CB 0.345 42.467 42.059 0.105 0.000 1.119 55 L HN 0.044 nan 8.230 nan 0.000 0.464 56 D N 1.309 121.713 120.400 0.007 0.000 2.432 56 D HA 0.162 5.451 4.640 1.081 0.000 0.258 56 D C 0.059 176.344 176.300 -0.024 0.000 1.146 56 D CA -0.504 53.469 54.000 -0.046 0.000 1.015 56 D CB 0.650 41.405 40.800 -0.075 0.000 1.107 56 D HN 0.362 nan 8.370 nan 0.000 0.529 57 N N -0.023 118.632 118.700 -0.075 0.000 2.395 57 N HA 0.039 5.427 4.740 1.081 0.000 0.246 57 N C -0.061 175.292 175.510 -0.261 0.000 1.246 57 N CA 0.630 53.600 53.050 -0.132 0.000 0.879 57 N CB 0.442 38.865 38.487 -0.107 0.000 1.098 57 N HN 0.427 nan 8.380 nan 0.000 0.444 58 T N -3.364 110.926 114.554 -0.441 0.000 2.841 58 T HA 0.294 5.293 4.350 1.081 0.000 0.296 58 T C 1.077 175.551 174.700 -0.377 0.000 1.166 58 T CA -0.535 61.265 62.100 -0.499 0.000 1.007 58 T CB 0.931 69.269 68.868 -0.883 0.000 1.253 58 T HN 0.419 nan 8.240 nan 0.000 0.511 59 T N -1.198 113.195 114.554 -0.269 0.000 3.113 59 T HA 0.016 5.015 4.350 1.081 0.000 0.263 59 T C 1.824 176.428 174.700 -0.160 0.000 1.143 59 T CA 1.140 63.135 62.100 -0.174 0.000 1.090 59 T CB -0.611 68.186 68.868 -0.118 0.000 0.922 59 T HN 0.798 nan 8.240 nan 0.000 0.521 60 S N 0.665 116.225 115.700 -0.234 0.000 2.475 60 S HA 0.355 5.473 4.470 1.081 0.000 0.224 60 S C 0.242 174.828 174.600 -0.023 0.000 1.042 60 S CA -0.785 57.344 58.200 -0.119 0.000 0.935 60 S CB -0.432 62.723 63.200 -0.076 0.000 0.801 60 S HN 0.695 nan 8.310 nan 0.000 0.509 61 F N 0.269 120.172 119.950 -0.079 0.000 2.601 61 F HA 0.822 5.996 4.527 1.079 0.000 0.309 61 F C -0.646 175.098 175.800 -0.094 0.000 1.089 61 F CA -1.621 56.320 58.000 -0.099 0.000 0.940 61 F CB 0.907 39.815 39.000 -0.154 0.000 1.273 61 F HN -0.295 nan 8.300 nan 0.000 0.450 62 R N 1.065 121.685 120.500 0.201 0.000 2.531 62 R HA 0.371 5.360 4.340 1.081 0.000 0.273 62 R C -0.073 176.326 176.300 0.165 0.000 1.070 62 R CA -0.590 55.572 56.100 0.104 0.000 1.112 62 R CB 1.338 31.660 30.300 0.036 0.000 1.049 62 R HN 0.937 nan 8.270 nan 0.000 0.508 63 T N 0.137 114.738 114.554 0.078 0.000 2.907 63 T HA 0.059 5.058 4.350 1.081 0.000 0.298 63 T C 0.992 175.696 174.700 0.006 0.000 1.017 63 T CA -0.220 61.912 62.100 0.052 0.000 1.118 63 T CB 0.484 69.341 68.868 -0.018 0.000 0.948 63 T HN 0.473 nan 8.240 nan 0.000 0.531 64 E N 2.065 122.268 120.200 0.005 0.000 2.418 64 E HA -0.048 4.951 4.350 1.081 0.000 0.197 64 E C 1.797 178.399 176.600 0.003 0.000 1.026 64 E CA 0.572 56.979 56.400 0.010 0.000 0.862 64 E CB 0.163 29.888 29.700 0.041 0.000 0.799 64 E HN 0.639 nan 8.360 nan 0.000 0.518 65 K N 0.639 121.022 120.400 -0.029 0.000 2.362 65 K HA -0.097 4.872 4.320 1.081 0.000 0.200 65 K C 0.685 177.275 176.600 -0.016 0.000 1.046 65 K CA 0.726 56.995 56.287 -0.030 0.000 0.952 65 K CB 0.202 32.599 32.500 -0.170 0.000 0.753 65 K HN 0.038 nan 8.250 nan 0.000 0.466 66 D N 0.437 120.806 120.400 -0.051 0.000 2.368 66 D HA 0.098 5.387 4.640 1.081 0.000 0.218 66 D C -0.057 176.134 176.300 -0.181 0.000 1.112 66 D CA 0.079 54.024 54.000 -0.091 0.000 0.834 66 D CB 0.345 41.088 40.800 -0.094 0.000 0.953 66 D HN 0.123 nan 8.370 nan 0.000 0.505 67 A N -0.245 122.497 122.820 -0.131 0.000 2.332 67 A HA 0.240 5.208 4.320 1.081 0.000 0.258 67 A C 0.794 178.279 177.584 -0.166 0.000 1.087 67 A CA -0.343 51.581 52.037 -0.188 0.000 0.802 67 A CB 0.164 19.128 19.000 -0.059 0.000 1.042 67 A HN -0.005 nan 8.150 nan 0.000 0.489 68 F N 1.294 121.288 119.950 0.074 0.000 2.202 68 F HA -0.062 5.138 4.527 1.121 0.000 0.301 68 F C 2.404 178.271 175.800 0.111 0.000 1.082 68 F CA 1.944 60.009 58.000 0.109 0.000 1.313 68 F CB -0.559 38.518 39.000 0.128 0.000 1.024 68 F HN 0.626 nan 8.300 nan 0.000 0.495 69 G N -1.095 107.817 108.800 0.187 0.000 2.623 69 G HA2 -0.113 4.496 3.960 1.081 0.000 0.214 69 G HA3 -0.113 4.496 3.960 1.081 0.000 0.214 69 G C 1.510 176.522 174.900 0.187 0.000 1.138 69 G CA 0.391 45.551 45.100 0.101 0.000 0.794 69 G HN 0.244 nan 8.290 nan 0.000 0.535 70 N N 0.536 119.332 118.700 0.159 0.000 2.510 70 N HA 0.139 5.527 4.740 1.081 0.000 0.186 70 N C 1.249 176.872 175.510 0.188 0.000 1.051 70 N CA 0.342 53.521 53.050 0.215 0.000 0.877 70 N CB 0.086 38.693 38.487 0.200 0.000 1.183 70 N HN 0.195 nan 8.380 nan 0.000 0.443 71 A N 1.826 124.724 122.820 0.130 0.000 2.567 71 A HA 0.036 5.004 4.320 1.081 0.000 0.240 71 A C 0.809 178.484 177.584 0.152 0.000 1.053 71 A CA 0.171 52.274 52.037 0.110 0.000 0.755 71 A CB -0.476 18.555 19.000 0.052 0.000 0.978 71 A HN 0.483 nan 8.150 nan 0.000 0.507 72 N N 0.377 119.156 118.700 0.132 0.000 2.710 72 N HA -0.194 5.194 4.740 1.081 0.000 0.249 72 N C 0.374 175.982 175.510 0.162 0.000 1.059 72 N CA 1.706 54.833 53.050 0.128 0.000 0.720 72 N CB -0.964 37.586 38.487 0.105 0.000 0.983 72 N HN 0.786 nan 8.380 nan 0.000 0.544 73 S N -2.313 113.495 115.700 0.180 0.000 3.916 73 S HA 0.520 5.638 4.470 1.081 0.000 0.231 73 S C 0.061 174.744 174.600 0.138 0.000 1.161 73 S CA 0.448 58.762 58.200 0.190 0.000 0.938 73 S CB -0.437 62.914 63.200 0.252 0.000 1.170 73 S HN 0.666 nan 8.310 nan 0.000 0.508 74 A N 3.191 126.108 122.820 0.162 0.000 2.498 74 A HA 0.597 5.565 4.320 1.081 0.000 0.239 74 A C 0.318 177.930 177.584 0.045 0.000 1.068 74 A CA 0.036 52.129 52.037 0.094 0.000 0.766 74 A CB -0.105 19.043 19.000 0.248 0.000 1.003 74 A HN 0.735 nan 8.150 nan 0.000 0.497 75 R N 0.354 120.726 120.500 -0.213 0.000 2.766 75 R HA 0.717 5.706 4.340 1.081 0.000 0.270 75 R C 0.411 176.432 176.300 -0.465 0.000 1.035 75 R CA -0.391 55.565 56.100 -0.239 0.000 0.911 75 R CB 0.569 30.828 30.300 -0.067 0.000 1.243 75 R HN 2.018 nan 8.270 nan 0.000 0.460 76 G N -0.305 108.319 108.800 -0.293 0.000 2.176 76 G HA2 -0.262 4.347 3.960 1.081 0.000 0.232 76 G HA3 -0.262 4.347 3.960 1.081 0.000 0.232 76 G C 0.235 175.008 174.900 -0.212 0.000 0.986 76 G CA 0.229 45.185 45.100 -0.241 0.000 0.643 76 G HN 0.449 nan 8.290 nan 0.000 0.522 77 F N 1.461 121.419 119.950 0.013 0.000 2.120 77 F HA 0.028 5.199 4.527 1.074 0.000 0.300 77 F C 0.655 176.461 175.800 0.010 0.000 1.095 77 F CA 2.038 60.047 58.000 0.015 0.000 1.249 77 F CB -1.542 37.470 39.000 0.019 0.000 0.995 77 F HN 0.254 nan 8.300 nan 0.000 0.480 78 P HA -0.101 nan 4.420 nan 0.000 0.218 78 P C 1.893 179.225 177.300 0.053 0.000 1.149 78 P CA 1.136 64.294 63.100 0.097 0.000 0.817 78 P CB 0.016 31.761 31.700 0.075 0.000 0.785 79 V N -0.206 119.724 119.914 0.027 0.000 2.427 79 V HA -0.193 4.576 4.120 1.081 0.000 0.248 79 V C 2.261 178.357 176.094 0.004 0.000 1.051 79 V CA 1.416 63.717 62.300 0.002 0.000 1.048 79 V CB -1.004 30.804 31.823 -0.025 0.000 0.666 79 V HN 0.055 nan 8.190 nan 0.000 0.456 80 I N 0.195 120.775 120.570 0.017 0.000 2.315 80 I HA -0.167 4.652 4.170 1.081 0.000 0.248 80 I C 2.278 178.416 176.117 0.035 0.000 1.117 80 I CA 1.468 62.783 61.300 0.025 0.000 1.404 80 I CB -1.244 36.790 38.000 0.057 0.000 1.071 80 I HN 0.347 nan 8.210 nan 0.000 0.419 81 D N 0.493 120.925 120.400 0.054 0.000 2.144 81 D HA -0.199 5.089 4.640 1.081 0.000 0.199 81 D C 2.269 178.581 176.300 0.021 0.000 0.984 81 D CA 0.981 55.007 54.000 0.043 0.000 0.834 81 D CB -0.157 40.673 40.800 0.051 0.000 0.955 81 D HN 0.308 nan 8.370 nan 0.000 0.465 82 R N 0.600 121.109 120.500 0.016 0.000 2.070 82 R HA -0.114 4.874 4.340 1.081 0.000 0.233 82 R C 2.585 178.882 176.300 -0.006 0.000 1.137 82 R CA 1.541 57.644 56.100 0.004 0.000 0.945 82 R CB -0.150 30.151 30.300 0.002 0.000 0.845 82 R HN 0.218 nan 8.270 nan 0.000 0.430 83 M N -0.261 119.333 119.600 -0.011 0.000 2.229 83 M HA -0.035 5.093 4.480 1.081 0.000 0.264 83 M C 2.006 178.290 176.300 -0.026 0.000 1.063 83 M CA 1.670 56.956 55.300 -0.024 0.000 1.114 83 M CB -0.278 32.302 32.600 -0.033 0.000 1.387 83 M HN -0.137 nan 8.290 nan 0.000 0.420 84 K N 1.618 122.009 120.400 -0.015 0.000 2.026 84 K HA 0.013 4.981 4.320 1.081 0.000 0.208 84 K C 2.059 178.649 176.600 -0.017 0.000 1.048 84 K CA 2.121 58.398 56.287 -0.016 0.000 0.929 84 K CB -0.775 31.726 32.500 0.002 0.000 0.713 84 K HN 0.417 nan 8.250 nan 0.000 0.439 85 A N 0.558 123.372 122.820 -0.009 0.000 1.902 85 A HA -0.042 4.927 4.320 1.081 0.000 0.217 85 A C 2.394 179.969 177.584 -0.016 0.000 1.181 85 A CA 2.110 54.141 52.037 -0.009 0.000 0.623 85 A CB -1.103 17.895 19.000 -0.003 0.000 0.818 85 A HN 0.455 nan 8.150 nan 0.000 0.443 86 A N -0.666 122.142 122.820 -0.019 0.000 1.902 86 A HA 0.013 4.982 4.320 1.081 0.000 0.217 86 A C 2.209 179.773 177.584 -0.033 0.000 1.181 86 A CA 1.778 53.801 52.037 -0.024 0.000 0.623 86 A CB -0.834 18.150 19.000 -0.025 0.000 0.818 86 A HN 0.394 nan 8.150 nan 0.000 0.443 87 V N 0.100 119.988 119.914 -0.044 0.000 2.453 87 V HA -0.160 4.608 4.120 1.081 0.000 0.247 87 V C 2.496 178.557 176.094 -0.054 0.000 1.048 87 V CA 1.879 64.141 62.300 -0.063 0.000 1.049 87 V CB -0.642 31.128 31.823 -0.089 0.000 0.672 87 V HN 0.479 nan 8.190 nan 0.000 0.457 88 E N -0.048 120.129 120.200 -0.038 0.000 2.153 88 E HA -0.174 4.825 4.350 1.081 0.000 0.194 88 E C 2.495 179.082 176.600 -0.021 0.000 0.988 88 E CA 1.519 57.903 56.400 -0.026 0.000 0.811 88 E CB -0.360 29.331 29.700 -0.015 0.000 0.746 88 E HN 0.546 nan 8.360 nan 0.000 0.466 89 S N 0.132 115.820 115.700 -0.021 0.000 2.368 89 S HA -0.077 5.041 4.470 1.081 0.000 0.224 89 S C 2.000 176.588 174.600 -0.019 0.000 1.029 89 S CA 1.220 59.410 58.200 -0.017 0.000 0.988 89 S CB 0.019 63.210 63.200 -0.015 0.000 0.838 89 S HN 0.290 nan 8.310 nan 0.000 0.462 90 A N -0.415 122.390 122.820 -0.026 0.000 1.929 90 A HA 0.142 5.110 4.320 1.081 0.000 0.216 90 A C 1.112 178.680 177.584 -0.027 0.000 1.176 90 A CA 1.006 53.026 52.037 -0.027 0.000 0.628 90 A CB -0.383 18.596 19.000 -0.035 0.000 0.816 90 A HN 0.625 nan 8.150 nan 0.000 0.444 91 c N -0.136 118.444 118.600 -0.034 0.000 3.287 91 c HA 0.410 5.629 4.570 1.081 0.000 0.260 91 c C -2.921 171.155 174.090 -0.023 0.000 1.133 91 c CA -1.634 54.678 56.329 -0.030 0.000 1.402 91 c CB 0.230 42.712 42.510 -0.047 0.000 1.832 91 c HN 0.239 nan 8.230 nan 0.000 0.509 92 P HA 0.068 nan 4.420 nan 0.000 0.262 92 P C 0.364 177.668 177.300 0.008 0.000 1.182 92 P CA 0.778 63.876 63.100 -0.003 0.000 0.761 92 P CB 0.261 31.961 31.700 -0.000 0.000 0.795 93 R N 0.606 121.113 120.500 0.012 0.000 3.405 93 R HA -0.189 4.799 4.340 1.081 0.000 0.258 93 R C 0.428 176.758 176.300 0.051 0.000 1.030 93 R CA 0.945 57.062 56.100 0.029 0.000 0.691 93 R CB -2.677 27.641 30.300 0.030 0.000 1.093 93 R HN 0.528 nan 8.270 nan 0.000 0.448 94 T N -1.476 113.104 114.554 0.043 0.000 3.138 94 T HA 0.128 5.126 4.350 1.081 0.000 0.245 94 T C 0.658 175.442 174.700 0.140 0.000 0.982 94 T CA 0.410 62.568 62.100 0.096 0.000 1.134 94 T CB 0.637 69.538 68.868 0.055 0.000 1.032 94 T HN 0.047 nan 8.240 nan 0.000 0.442 95 V N 4.329 124.202 119.914 -0.069 0.000 2.406 95 V HA 0.431 5.199 4.120 1.081 0.000 0.272 95 V C 0.490 176.580 176.094 -0.006 0.000 1.043 95 V CA -1.073 61.104 62.300 -0.204 0.000 0.915 95 V CB 0.877 32.411 31.823 -0.481 0.000 0.988 95 V HN 0.575 nan 8.190 nan 0.000 0.466 96 S N 3.362 119.132 115.700 0.117 0.000 2.584 96 S HA 0.055 5.173 4.470 1.081 0.000 0.270 96 S C 1.211 175.839 174.600 0.046 0.000 1.346 96 S CA -0.437 57.815 58.200 0.086 0.000 1.018 96 S CB 0.838 64.097 63.200 0.099 0.000 0.899 96 S HN 0.726 nan 8.310 nan 0.000 0.542 97 c N 1.499 120.125 118.600 0.044 0.000 2.435 97 c HA 0.043 5.262 4.570 1.081 0.000 0.279 97 c C 3.121 177.243 174.090 0.053 0.000 1.321 97 c CA 0.859 57.213 56.329 0.042 0.000 1.752 97 c CB -2.084 40.458 42.510 0.053 0.000 1.959 97 c HN 1.015 nan 8.230 nan 0.000 0.500 98 A N 0.753 123.610 122.820 0.061 0.000 1.902 98 A HA -0.216 4.752 4.320 1.081 0.000 0.217 98 A C 1.813 179.437 177.584 0.067 0.000 1.181 98 A CA 2.230 54.311 52.037 0.073 0.000 0.623 98 A CB -0.553 18.482 19.000 0.058 0.000 0.818 98 A HN 0.509 nan 8.150 nan 0.000 0.443 99 D N -0.728 119.707 120.400 0.059 0.000 2.123 99 D HA -0.075 5.213 4.640 1.081 0.000 0.200 99 D C 1.858 178.166 176.300 0.014 0.000 0.976 99 D CA 0.939 54.978 54.000 0.066 0.000 0.831 99 D CB -0.341 40.576 40.800 0.196 0.000 0.974 99 D HN 0.303 nan 8.370 nan 0.000 0.469 100 L N 0.520 121.740 121.223 -0.005 0.000 2.012 100 L HA -0.147 4.841 4.340 1.081 0.000 0.210 100 L C 2.078 178.916 176.870 -0.053 0.000 1.073 100 L CA 1.308 56.121 54.840 -0.046 0.000 0.748 100 L CB -0.520 41.516 42.059 -0.039 0.000 0.891 100 L HN 0.037 nan 8.230 nan 0.000 0.431 101 L N -1.307 119.905 121.223 -0.018 0.000 2.141 101 L HA -0.138 4.851 4.340 1.081 0.000 0.209 101 L C 2.264 179.042 176.870 -0.154 0.000 1.094 101 L CA 2.205 57.034 54.840 -0.018 0.000 0.763 101 L CB -0.954 41.156 42.059 0.084 0.000 0.908 101 L HN 0.319 nan 8.230 nan 0.000 0.437 102 T N -0.191 114.236 114.554 -0.211 0.000 2.737 102 T HA -0.110 4.889 4.350 1.081 0.000 0.265 102 T C 1.977 176.443 174.700 -0.391 0.000 1.038 102 T CA 1.914 63.699 62.100 -0.526 0.000 1.144 102 T CB -0.257 68.475 68.868 -0.228 0.000 0.866 102 T HN 0.309 nan 8.240 nan 0.000 0.434 103 I N 1.482 121.912 120.570 -0.232 0.000 2.226 103 I HA -0.172 4.646 4.170 1.081 0.000 0.245 103 I C 2.961 178.941 176.117 -0.227 0.000 1.100 103 I CA 1.071 62.235 61.300 -0.226 0.000 1.374 103 I CB -0.536 37.377 38.000 -0.145 0.000 1.057 103 I HN 0.189 nan 8.210 nan 0.000 0.413 104 A N 0.891 123.607 122.820 -0.174 0.000 1.908 104 A HA -0.193 4.775 4.320 1.081 0.000 0.218 104 A C 2.555 180.056 177.584 -0.138 0.000 1.181 104 A CA 1.987 53.944 52.037 -0.133 0.000 0.627 104 A CB -0.793 18.153 19.000 -0.090 0.000 0.818 104 A HN 0.446 nan 8.150 nan 0.000 0.445 105 A N -1.070 121.644 122.820 -0.177 0.000 1.877 105 A HA -0.206 4.763 4.320 1.081 0.000 0.216 105 A C 2.228 179.731 177.584 -0.135 0.000 1.186 105 A CA 1.795 53.766 52.037 -0.110 0.000 0.620 105 A CB -0.537 18.370 19.000 -0.154 0.000 0.822 105 A HN 0.561 nan 8.150 nan 0.000 0.443 106 Q N -0.700 118.917 119.800 -0.306 0.000 2.050 106 Q HA -0.215 4.774 4.340 1.081 0.000 0.202 106 Q C 2.046 177.796 176.000 -0.417 0.000 0.980 106 Q CA 1.792 57.264 55.803 -0.551 0.000 0.840 106 Q CB -0.327 27.823 28.738 -0.979 0.000 0.898 106 Q HN 0.647 nan 8.270 nan 0.000 0.424 107 Q N 0.031 119.649 119.800 -0.303 0.000 2.124 107 Q HA -0.063 4.926 4.340 1.081 0.000 0.202 107 Q C 2.227 178.150 176.000 -0.127 0.000 0.977 107 Q CA 1.376 57.056 55.803 -0.205 0.000 0.850 107 Q CB -0.264 28.380 28.738 -0.157 0.000 0.901 107 Q HN 0.298 nan 8.270 nan 0.000 0.429 108 S N 0.350 115.998 115.700 -0.088 0.000 2.368 108 S HA -0.096 5.022 4.470 1.081 0.000 0.225 108 S C 2.187 176.801 174.600 0.024 0.000 1.030 108 S CA 1.090 59.291 58.200 0.002 0.000 0.999 108 S CB -0.190 63.037 63.200 0.045 0.000 0.844 108 S HN 0.142 nan 8.310 nan 0.000 0.459 109 V N 1.693 121.556 119.914 -0.086 0.000 2.295 109 V HA -0.180 4.588 4.120 1.081 0.000 0.246 109 V C 2.513 178.402 176.094 -0.342 0.000 1.049 109 V CA 2.128 64.213 62.300 -0.359 0.000 1.024 109 V CB -1.282 30.256 31.823 -0.474 0.000 0.648 109 V HN 0.515 nan 8.190 nan 0.000 0.447 110 T N 0.352 114.776 114.554 -0.217 0.000 2.746 110 T HA -0.109 4.889 4.350 1.081 0.000 0.267 110 T C 1.893 176.552 174.700 -0.069 0.000 1.039 110 T CA 1.393 63.405 62.100 -0.146 0.000 1.142 110 T CB -0.305 68.486 68.868 -0.129 0.000 0.866 110 T HN 0.286 nan 8.240 nan 0.000 0.444 111 L N 0.746 121.943 121.223 -0.044 0.000 2.191 111 L HA -0.036 4.952 4.340 1.081 0.000 0.212 111 L C 2.676 179.578 176.870 0.053 0.000 1.103 111 L CA 0.924 55.767 54.840 0.006 0.000 0.769 111 L CB -0.490 41.574 42.059 0.009 0.000 0.908 111 L HN 0.240 nan 8.230 nan 0.000 0.438 112 A N -0.730 122.138 122.820 0.080 0.000 2.238 112 A HA 0.320 5.289 4.320 1.081 0.000 0.208 112 A C 1.657 179.319 177.584 0.130 0.000 1.177 112 A CA 0.749 52.883 52.037 0.162 0.000 0.804 112 A CB -0.329 18.861 19.000 0.316 0.000 0.823 112 A HN 0.524 nan 8.150 nan 0.000 0.482 113 G N -2.263 106.583 108.800 0.078 0.000 2.179 113 G HA2 -0.019 4.589 3.960 1.081 0.000 0.220 113 G HA3 -0.019 4.589 3.960 1.081 0.000 0.220 113 G C 0.732 175.716 174.900 0.141 0.000 0.990 113 G CA 0.172 45.344 45.100 0.120 0.000 0.646 113 G HN 1.266 nan 8.290 nan 0.000 0.517 114 G N 0.258 109.010 108.800 -0.079 0.000 2.535 114 G HA2 0.699 5.308 3.960 1.081 0.000 0.282 114 G HA3 0.699 5.308 3.960 1.081 0.000 0.282 114 G C -1.596 172.996 174.900 -0.514 0.000 1.350 114 G CA -0.411 44.399 45.100 -0.484 0.000 1.039 114 G HN 0.286 nan 8.290 nan 0.000 0.509 115 P HA 0.168 nan 4.420 nan 0.000 0.270 115 P C -0.562 176.777 177.300 0.065 0.000 1.223 115 P CA 0.017 62.930 63.100 -0.312 0.000 0.785 115 P CB 1.394 32.829 31.700 -0.441 0.000 0.923 116 S N 1.620 117.420 115.700 0.167 0.000 2.478 116 S HA 0.741 5.859 4.470 1.081 0.000 0.312 116 S C -1.406 173.388 174.600 0.324 0.000 1.094 116 S CA -0.601 57.703 58.200 0.173 0.000 1.081 116 S CB 0.030 63.261 63.200 0.052 0.000 1.007 116 S HN 0.618 nan 8.310 nan 0.000 0.475 117 W N 3.483 124.733 121.300 -0.085 0.000 3.066 117 W HA 0.618 5.925 4.660 1.078 0.000 0.330 117 W C -1.723 174.765 176.519 -0.053 0.000 1.253 117 W CA -1.113 56.195 57.345 -0.062 0.000 1.187 117 W CB 0.618 30.036 29.460 -0.070 0.000 1.434 117 W HN 0.464 nan 8.180 nan 0.000 0.572 118 R N 2.625 123.120 120.500 -0.007 0.000 2.207 118 R HA 0.448 5.436 4.340 1.081 0.000 0.334 118 R C 0.052 176.307 176.300 -0.074 0.000 1.013 118 R CA -0.800 55.226 56.100 -0.123 0.000 0.858 118 R CB 1.446 31.739 30.300 -0.010 0.000 1.094 118 R HN 0.537 nan 8.270 nan 0.000 0.457 119 V N 1.477 121.247 119.914 -0.239 0.000 2.775 119 V HA 0.349 5.117 4.120 1.081 0.000 0.299 119 V C -2.244 173.856 176.094 0.011 0.000 1.062 119 V CA -2.253 60.010 62.300 -0.062 0.000 1.063 119 V CB 0.669 32.398 31.823 -0.157 0.000 0.994 119 V HN 0.540 nan 8.190 nan 0.000 0.483 120 P HA 0.431 nan 4.420 nan 0.000 0.269 120 P C -0.679 176.611 177.300 -0.015 0.000 1.209 120 P CA 0.121 63.236 63.100 0.025 0.000 0.776 120 P CB 0.537 32.256 31.700 0.031 0.000 0.876 121 L N 0.964 122.152 121.223 -0.059 0.000 2.303 121 L HA 0.762 5.751 4.340 1.081 0.000 0.256 121 L C 1.071 177.648 176.870 -0.487 0.000 1.034 121 L CA -0.530 54.213 54.840 -0.162 0.000 0.832 121 L CB 1.922 43.953 42.059 -0.048 0.000 1.403 121 L HN 0.621 nan 8.230 nan 0.000 0.419 122 G N 0.122 108.385 108.800 -0.895 0.000 2.198 122 G HA2 -0.133 4.475 3.960 1.081 0.000 0.156 122 G HA3 -0.133 4.475 3.960 1.081 0.000 0.156 122 G C 0.046 174.540 174.900 -0.677 0.000 1.012 122 G CA -0.668 43.521 45.100 -1.519 0.000 0.692 122 G HN 0.440 nan 8.290 nan 0.000 0.492 123 R N 0.229 120.516 120.500 -0.355 0.000 2.641 123 R HA 0.692 5.680 4.340 1.081 0.000 0.269 123 R C 0.540 176.780 176.300 -0.101 0.000 1.074 123 R CA 0.099 56.102 56.100 -0.161 0.000 1.133 123 R CB 0.612 30.874 30.300 -0.063 0.000 1.029 123 R HN 0.263 nan 8.270 nan 0.000 0.488 124 R N 0.245 120.717 120.500 -0.047 0.000 2.919 124 R HA 0.268 5.256 4.340 1.081 0.000 0.260 124 R C -1.019 175.293 176.300 0.020 0.000 1.067 124 R CA -1.000 55.100 56.100 -0.000 0.000 1.003 124 R CB 1.343 31.646 30.300 0.004 0.000 1.192 124 R HN 0.519 nan 8.270 nan 0.000 0.488 125 D N 0.923 121.345 120.400 0.036 0.000 2.255 125 D HA 0.084 5.372 4.640 1.081 0.000 0.249 125 D C 0.099 176.422 176.300 0.038 0.000 1.078 125 D CA -0.025 54.000 54.000 0.041 0.000 0.896 125 D CB 1.496 42.322 40.800 0.045 0.000 1.194 125 D HN 0.486 nan 8.370 nan 0.000 0.429 126 S N 1.048 116.774 115.700 0.044 0.000 2.576 126 S HA 0.111 5.229 4.470 1.081 0.000 0.272 126 S C 0.993 175.592 174.600 -0.002 0.000 1.352 126 S CA -0.425 57.802 58.200 0.045 0.000 1.021 126 S CB 0.612 63.867 63.200 0.092 0.000 0.887 126 S HN 0.453 nan 8.310 nan 0.000 0.542 127 L N 0.992 122.199 121.223 -0.026 0.000 2.667 127 L HA 0.294 5.282 4.340 1.081 0.000 0.232 127 L C 0.804 177.575 176.870 -0.165 0.000 1.138 127 L CA -0.166 54.649 54.840 -0.042 0.000 0.921 127 L CB -0.680 41.376 42.059 -0.006 0.000 1.180 127 L HN 0.852 nan 8.230 nan 0.000 0.487 128 Q N -1.113 118.437 119.800 -0.416 0.000 2.756 128 Q HA 0.712 5.700 4.340 1.081 0.000 0.295 128 Q C -1.698 173.520 176.000 -1.303 0.000 0.903 128 Q CA -0.914 54.229 55.803 -1.100 0.000 0.768 128 Q CB 2.003 30.158 28.738 -0.971 0.000 1.472 128 Q HN -0.089 nan 8.270 nan 0.000 0.416 129 A N 0.606 122.348 122.820 -1.796 0.000 2.330 129 A HA 0.838 5.806 4.320 1.081 0.000 0.329 129 A C -1.374 175.578 177.584 -1.053 0.000 1.135 129 A CA -0.685 50.756 52.037 -0.994 0.000 0.817 129 A CB 0.691 19.415 19.000 -0.461 0.000 1.269 129 A HN 0.520 nan 8.150 nan 0.000 0.469 130 F N 2.035 121.884 119.950 -0.169 0.000 2.564 130 F HA 0.268 5.442 4.527 1.077 0.000 0.361 130 F C 0.818 176.587 175.800 -0.051 0.000 1.161 130 F CA -0.481 57.459 58.000 -0.100 0.000 1.198 130 F CB 1.107 40.053 39.000 -0.090 0.000 1.424 130 F HN 0.497 nan 8.300 nan 0.000 0.517 131 L N 1.096 122.361 121.223 0.071 0.000 2.017 131 L HA -0.129 4.859 4.340 1.081 0.000 0.208 131 L C 1.855 178.764 176.870 0.066 0.000 1.073 131 L CA 2.132 57.001 54.840 0.048 0.000 0.745 131 L CB -0.369 41.699 42.059 0.016 0.000 0.894 131 L HN 0.350 nan 8.230 nan 0.000 0.432 132 D N -0.574 119.878 120.400 0.086 0.000 2.117 132 D HA -0.197 5.092 4.640 1.081 0.000 0.197 132 D C 2.208 178.569 176.300 0.101 0.000 0.987 132 D CA 1.468 55.526 54.000 0.096 0.000 0.829 132 D CB -0.172 40.684 40.800 0.094 0.000 0.961 132 D HN 0.311 nan 8.370 nan 0.000 0.460 133 L N 0.890 122.179 121.223 0.109 0.000 2.093 133 L HA -0.051 4.937 4.340 1.081 0.000 0.208 133 L C 2.140 179.037 176.870 0.046 0.000 1.085 133 L CA 1.432 56.311 54.840 0.064 0.000 0.755 133 L CB -0.621 41.454 42.059 0.027 0.000 0.904 133 L HN -0.058 nan 8.230 nan 0.000 0.435 134 A N -0.648 122.205 122.820 0.055 0.000 1.898 134 A HA -0.186 4.782 4.320 1.081 0.000 0.216 134 A C 2.064 179.666 177.584 0.031 0.000 1.181 134 A CA 1.682 53.723 52.037 0.008 0.000 0.620 134 A CB -0.676 18.323 19.000 -0.002 0.000 0.819 134 A HN 0.557 nan 8.150 nan 0.000 0.442 135 N N 0.315 119.071 118.700 0.094 0.000 2.244 135 N HA -0.060 5.328 4.740 1.081 0.000 0.183 135 N C 1.731 177.355 175.510 0.191 0.000 1.016 135 N CA 1.425 54.599 53.050 0.206 0.000 0.866 135 N CB -0.385 38.282 38.487 0.300 0.000 0.980 135 N HN 0.495 nan 8.380 nan 0.000 0.430 136 A N 0.580 123.483 122.820 0.138 0.000 1.935 136 A HA 0.049 5.018 4.320 1.081 0.000 0.214 136 A C 1.891 179.554 177.584 0.132 0.000 1.178 136 A CA 0.888 53.005 52.037 0.133 0.000 0.640 136 A CB -0.078 18.980 19.000 0.097 0.000 0.825 136 A HN 0.159 nan 8.150 nan 0.000 0.447 137 N N -0.272 118.481 118.700 0.088 0.000 2.409 137 N HA 0.148 5.536 4.740 1.081 0.000 0.174 137 N C 0.178 175.768 175.510 0.133 0.000 1.037 137 N CA 0.211 53.321 53.050 0.100 0.000 0.898 137 N CB -0.204 38.301 38.487 0.030 0.000 1.010 137 N HN 0.379 nan 8.380 nan 0.000 0.445 138 L N 3.333 124.554 121.223 -0.004 0.000 2.410 138 L HA 0.226 5.214 4.340 1.081 0.000 0.273 138 L C -1.821 174.967 176.870 -0.137 0.000 1.144 138 L CA -1.444 53.291 54.840 -0.174 0.000 0.863 138 L CB 0.356 42.162 42.059 -0.422 0.000 1.140 138 L HN -0.018 nan 8.230 nan 0.000 0.463 139 P HA 0.234 nan 4.420 nan 0.000 0.274 139 P C -1.035 175.765 177.300 -0.835 0.000 1.237 139 P CA -0.438 62.375 63.100 -0.478 0.000 0.793 139 P CB 1.368 33.053 31.700 -0.025 0.000 0.977 140 A N 2.369 124.144 122.820 -1.741 0.000 2.356 140 A HA 0.582 5.551 4.320 1.081 0.000 0.323 140 A C -1.697 175.320 177.584 -0.944 0.000 1.119 140 A CA -1.714 49.551 52.037 -1.287 0.000 0.790 140 A CB 0.814 18.757 19.000 -1.761 0.000 1.273 140 A HN 0.352 nan 8.150 nan 0.000 0.452 141 P HA -0.137 nan 4.420 nan 0.000 0.221 141 P C 0.762 178.086 177.300 0.041 0.000 1.145 141 P CA 1.315 64.329 63.100 -0.144 0.000 0.795 141 P CB -0.156 31.517 31.700 -0.045 0.000 0.775 142 F N -3.507 116.551 119.950 0.180 0.000 2.773 142 F HA 0.356 4.979 4.527 0.160 0.000 0.304 142 F C 0.626 176.655 175.800 0.382 0.000 1.129 142 F CA -1.478 56.683 58.000 0.268 0.000 1.378 142 F CB -1.317 37.817 39.000 0.223 0.000 1.095 142 F HN -0.361 nan 8.300 nan 0.000 0.565 143 F N 2.691 122.630 119.950 -0.018 0.000 2.518 143 F HA 0.249 5.432 4.527 1.094 0.000 0.359 143 F C 1.392 177.272 175.800 0.134 0.000 1.118 143 F CA -1.303 56.737 58.000 0.066 0.000 1.287 143 F CB 0.500 39.499 39.000 -0.002 0.000 1.132 143 F HN 0.083 nan 8.300 nan 0.000 0.587 144 T N 0.887 115.586 114.554 0.240 0.000 2.788 144 T HA 0.240 5.239 4.350 1.081 0.000 0.280 144 T C 1.132 175.923 174.700 0.151 0.000 0.984 144 T CA -0.776 61.428 62.100 0.174 0.000 0.972 144 T CB 0.800 69.727 68.868 0.099 0.000 1.039 144 T HN 0.471 nan 8.240 nan 0.000 0.530 145 L N 1.323 122.615 121.223 0.116 0.000 2.046 145 L HA 0.170 5.158 4.340 1.081 0.000 0.208 145 L C -0.905 176.005 176.870 0.066 0.000 1.077 145 L CA 1.542 56.435 54.840 0.089 0.000 0.747 145 L CB -1.672 40.424 42.059 0.062 0.000 0.896 145 L HN 0.520 nan 8.230 nan 0.000 0.432 146 P HA -0.180 nan 4.420 nan 0.000 0.216 146 P C 1.470 178.782 177.300 0.020 0.000 1.150 146 P CA 1.497 64.612 63.100 0.026 0.000 0.837 146 P CB -0.022 31.685 31.700 0.011 0.000 0.786 147 Q N -0.991 118.802 119.800 -0.012 0.000 2.119 147 Q HA -0.079 4.910 4.340 1.081 0.000 0.201 147 Q C 2.156 178.221 176.000 0.109 0.000 0.972 147 Q CA 1.036 56.768 55.803 -0.119 0.000 0.847 147 Q CB -0.601 27.860 28.738 -0.463 0.000 0.903 147 Q HN 0.291 nan 8.270 nan 0.000 0.433 148 L N 0.599 121.965 121.223 0.239 0.000 2.017 148 L HA -0.212 4.776 4.340 1.081 0.000 0.208 148 L C 2.293 179.310 176.870 0.246 0.000 1.073 148 L CA 1.320 56.358 54.840 0.330 0.000 0.745 148 L CB -0.324 41.842 42.059 0.178 0.000 0.894 148 L HN 0.134 nan 8.230 nan 0.000 0.432 149 K N -0.178 120.295 120.400 0.122 0.000 2.057 149 K HA -0.184 4.784 4.320 1.081 0.000 0.207 149 K C 1.757 178.464 176.600 0.178 0.000 1.049 149 K CA 1.573 57.922 56.287 0.104 0.000 0.931 149 K CB -0.205 32.327 32.500 0.052 0.000 0.714 149 K HN 0.237 nan 8.250 nan 0.000 0.440 150 D N 0.382 120.868 120.400 0.144 0.000 2.123 150 D HA -0.151 5.137 4.640 1.081 0.000 0.196 150 D C 2.118 178.538 176.300 0.200 0.000 0.992 150 D CA 1.765 55.839 54.000 0.125 0.000 0.833 150 D CB -0.334 40.499 40.800 0.055 0.000 0.954 150 D HN 0.204 nan 8.370 nan 0.000 0.455 151 S N -0.143 115.752 115.700 0.325 0.000 2.368 151 S HA -0.170 4.948 4.470 1.081 0.000 0.225 151 S C 2.078 176.935 174.600 0.427 0.000 1.030 151 S CA 0.708 59.165 58.200 0.428 0.000 0.999 151 S CB -0.756 62.833 63.200 0.647 0.000 0.844 151 S HN 0.090 nan 8.310 nan 0.000 0.459 152 F N 2.323 122.429 119.950 0.260 0.000 2.163 152 F HA 0.213 5.383 4.527 1.071 0.000 0.297 152 F C 2.768 178.570 175.800 0.003 0.000 1.094 152 F CA 0.789 58.900 58.000 0.184 0.000 1.290 152 F CB -0.519 38.625 39.000 0.240 0.000 1.017 152 F HN 0.109 nan 8.300 nan 0.000 0.483 153 R N -0.150 120.483 120.500 0.221 0.000 2.096 153 R HA -0.206 4.783 4.340 1.081 0.000 0.235 153 R C 1.902 178.208 176.300 0.010 0.000 1.127 153 R CA 1.477 57.633 56.100 0.092 0.000 0.968 153 R CB -0.744 29.609 30.300 0.087 0.000 0.861 153 R HN 0.243 nan 8.270 nan 0.000 0.440 154 N N 0.718 119.425 118.700 0.012 0.000 2.205 154 N HA -0.138 5.250 4.740 1.081 0.000 0.186 154 N C 1.469 176.902 175.510 -0.129 0.000 1.015 154 N CA 1.497 54.525 53.050 -0.036 0.000 0.862 154 N CB 0.161 38.650 38.487 0.003 0.000 0.986 154 N HN 0.176 nan 8.380 nan 0.000 0.429 155 V N -4.604 115.159 119.914 -0.251 0.000 3.647 155 V HA 0.556 5.324 4.120 1.081 0.000 0.279 155 V C 1.242 177.159 176.094 -0.294 0.000 1.314 155 V CA 0.515 62.587 62.300 -0.380 0.000 1.125 155 V CB -0.114 31.228 31.823 -0.801 0.000 0.907 155 V HN 0.312 nan 8.190 nan 0.000 0.434 156 G N 0.646 109.335 108.800 -0.184 0.000 2.192 156 G HA2 -0.158 4.450 3.960 1.081 0.000 0.193 156 G HA3 -0.158 4.450 3.960 1.081 0.000 0.193 156 G C -0.125 174.737 174.900 -0.063 0.000 0.999 156 G CA -0.056 44.975 45.100 -0.114 0.000 0.659 156 G HN 0.479 nan 8.290 nan 0.000 0.503 157 L N 1.792 122.989 121.223 -0.043 0.000 2.314 157 L HA 0.396 5.384 4.340 1.081 0.000 0.275 157 L C 1.040 177.993 176.870 0.139 0.000 1.068 157 L CA -0.881 54.004 54.840 0.076 0.000 0.894 157 L CB 0.792 42.953 42.059 0.169 0.000 1.275 157 L HN -0.028 nan 8.230 nan 0.000 0.432 158 N N 1.701 120.452 118.700 0.085 0.000 2.354 158 N HA -0.005 5.383 4.740 1.081 0.000 0.179 158 N C 0.479 176.038 175.510 0.082 0.000 1.021 158 N CA 0.619 53.716 53.050 0.077 0.000 0.887 158 N CB 0.202 38.715 38.487 0.043 0.000 0.974 158 N HN 0.472 nan 8.380 nan 0.000 0.437 159 R N 0.382 120.936 120.500 0.089 0.000 2.438 159 R HA 0.227 5.216 4.340 1.081 0.000 0.287 159 R C 1.081 177.427 176.300 0.076 0.000 1.077 159 R CA -0.125 56.020 56.100 0.076 0.000 1.034 159 R CB 0.669 31.014 30.300 0.074 0.000 0.993 159 R HN -0.035 nan 8.270 nan 0.000 0.459 160 S N 0.896 116.623 115.700 0.045 0.000 2.419 160 S HA -0.168 4.950 4.470 1.081 0.000 0.233 160 S C 1.848 176.478 174.600 0.051 0.000 1.016 160 S CA 1.459 59.672 58.200 0.022 0.000 0.974 160 S CB -0.046 63.156 63.200 0.003 0.000 0.786 160 S HN 0.703 nan 8.310 nan 0.000 0.492 161 S N 1.293 117.046 115.700 0.087 0.000 2.402 161 S HA -0.139 4.979 4.470 1.081 0.000 0.229 161 S C 1.462 176.186 174.600 0.207 0.000 1.021 161 S CA 1.101 59.402 58.200 0.168 0.000 0.974 161 S CB -0.384 62.918 63.200 0.170 0.000 0.800 161 S HN 0.411 nan 8.310 nan 0.000 0.484 162 D N 1.182 121.680 120.400 0.164 0.000 2.084 162 D HA -0.092 5.196 4.640 1.081 0.000 0.194 162 D C 1.930 178.369 176.300 0.231 0.000 0.990 162 D CA 1.081 55.211 54.000 0.216 0.000 0.826 162 D CB -0.561 40.409 40.800 0.284 0.000 0.971 162 D HN 0.379 nan 8.370 nan 0.000 0.453 163 L N 0.805 122.043 121.223 0.024 0.000 2.017 163 L HA -0.137 4.852 4.340 1.081 0.000 0.208 163 L C 2.262 179.091 176.870 -0.068 0.000 1.073 163 L CA 1.385 55.997 54.840 -0.380 0.000 0.745 163 L CB -0.479 41.245 42.059 -0.558 0.000 0.894 163 L HN -0.133 nan 8.230 nan 0.000 0.432 164 V N 0.004 119.986 119.914 0.114 0.000 2.358 164 V HA -0.210 4.558 4.120 1.081 0.000 0.246 164 V C 2.765 179.205 176.094 0.577 0.000 1.047 164 V CA 1.497 63.987 62.300 0.315 0.000 1.035 164 V CB -1.370 30.605 31.823 0.253 0.000 0.658 164 V HN 0.592 nan 8.190 nan 0.000 0.452 165 A N -0.091 123.082 122.820 0.588 0.000 1.873 165 A HA -0.106 4.862 4.320 1.081 0.000 0.215 165 A C 2.193 180.120 177.584 0.572 0.000 1.186 165 A CA 1.610 54.008 52.037 0.602 0.000 0.616 165 A CB -0.556 18.645 19.000 0.335 0.000 0.823 165 A HN 0.481 nan 8.150 nan 0.000 0.442 166 L N -0.218 121.202 121.223 0.329 0.000 2.201 166 L HA -0.123 4.866 4.340 1.081 0.000 0.212 166 L C 2.577 179.478 176.870 0.052 0.000 1.105 166 L CA 1.156 56.130 54.840 0.224 0.000 0.775 166 L CB -0.317 41.838 42.059 0.159 0.000 0.913 166 L HN 0.286 nan 8.230 nan 0.000 0.440 167 S N 0.104 115.784 115.700 -0.033 0.000 2.469 167 S HA -0.093 5.025 4.470 1.081 0.000 0.238 167 S C 1.950 176.097 174.600 -0.756 0.000 0.998 167 S CA 0.941 58.917 58.200 -0.372 0.000 0.957 167 S CB -0.338 62.783 63.200 -0.131 0.000 0.764 167 S HN 0.621 nan 8.310 nan 0.000 0.514 168 G N 1.061 109.651 108.800 -0.349 0.000 2.586 168 G HA2 -0.001 4.607 3.960 1.081 0.000 0.215 168 G HA3 -0.001 4.607 3.960 1.081 0.000 0.215 168 G C 1.251 175.793 174.900 -0.596 0.000 1.128 168 G CA 0.598 45.318 45.100 -0.632 0.000 0.774 168 G HN 0.550 nan 8.290 nan 0.000 0.543 169 G N -0.409 108.198 108.800 -0.322 0.000 2.498 169 G HA2 -0.133 4.475 3.960 1.081 0.000 0.219 169 G HA3 -0.133 4.475 3.960 1.081 0.000 0.219 169 G C 1.111 175.937 174.900 -0.125 0.000 1.119 169 G CA 0.287 45.346 45.100 -0.069 0.000 0.766 169 G HN 0.685 nan 8.290 nan 0.000 0.552 170 H N -0.509 118.191 119.070 -0.617 0.000 2.592 170 H HA 0.133 5.335 4.556 1.077 0.000 0.291 170 H C 2.001 177.151 175.328 -0.297 0.000 1.052 170 H CA 0.212 55.876 56.048 -0.641 0.000 1.175 170 H CB 0.472 29.757 29.762 -0.794 0.000 1.378 170 H HN 0.247 nan 8.280 nan 0.000 0.576 171 T N 0.666 115.055 114.554 -0.275 0.000 3.113 171 T HA -0.018 4.981 4.350 1.081 0.000 0.256 171 T C -0.122 174.612 174.700 0.057 0.000 1.131 171 T CA 0.180 62.150 62.100 -0.216 0.000 1.074 171 T CB -0.056 68.445 68.868 -0.612 0.000 0.944 171 T HN 0.338 nan 8.240 nan 0.000 0.516 172 F N -1.528 118.403 119.950 -0.032 0.000 2.789 172 F HA 0.720 5.895 4.527 1.080 0.000 0.319 172 F C 0.062 175.929 175.800 0.111 0.000 1.168 172 F CA -1.792 56.247 58.000 0.066 0.000 0.934 172 F CB 0.763 39.812 39.000 0.082 0.000 1.375 172 F HN 0.134 nan 8.300 nan 0.000 0.480 173 G N 1.341 110.197 108.800 0.094 0.000 2.710 173 G HA2 0.192 4.800 3.960 1.081 0.000 0.668 173 G HA3 0.192 4.800 3.960 1.081 0.000 0.668 173 G C -1.634 173.410 174.900 0.240 0.000 1.320 173 G CA -0.713 44.394 45.100 0.012 0.000 0.860 173 G HN 0.788 nan 8.290 nan 0.000 0.538 174 K N -0.005 120.520 120.400 0.207 0.000 2.281 174 K HA 0.691 5.659 4.320 1.081 0.000 0.242 174 K C -0.212 176.477 176.600 0.149 0.000 0.971 174 K CA -0.998 55.378 56.287 0.149 0.000 0.834 174 K CB 2.100 34.640 32.500 0.065 0.000 1.181 174 K HN 0.807 nan 8.250 nan 0.000 0.435 175 N N 0.541 119.177 118.700 -0.107 0.000 2.336 175 N HA 0.100 5.488 4.740 1.081 0.000 0.290 175 N C -1.404 174.094 175.510 -0.019 0.000 1.058 175 N CA -0.375 52.584 53.050 -0.152 0.000 0.865 175 N CB 1.481 39.493 38.487 -0.792 0.000 1.581 175 N HN 0.302 nan 8.380 nan 0.000 0.480 176 Q N 1.781 121.670 119.800 0.148 0.000 2.327 176 Q HA 0.184 5.172 4.340 1.081 0.000 0.254 176 Q C 0.661 176.631 176.000 -0.049 0.000 0.952 176 Q CA -0.513 55.300 55.803 0.017 0.000 0.884 176 Q CB 1.029 29.722 28.738 -0.075 0.000 1.224 176 Q HN 0.746 nan 8.270 nan 0.000 0.422 177 c N 1.713 120.267 118.600 -0.076 0.000 2.403 177 c HA -0.216 5.003 4.570 1.081 0.000 0.277 177 c C 2.460 176.499 174.090 -0.085 0.000 1.248 177 c CA 1.330 57.622 56.329 -0.062 0.000 1.762 177 c CB -1.176 41.309 42.510 -0.041 0.000 2.014 177 c HN 0.964 nan 8.230 nan 0.000 0.486 178 R N 0.347 120.719 120.500 -0.212 0.000 2.133 178 R HA -0.195 4.793 4.340 1.081 0.000 0.247 178 R C 1.582 177.754 176.300 -0.214 0.000 1.151 178 R CA 2.169 58.097 56.100 -0.286 0.000 0.971 178 R CB -1.017 28.980 30.300 -0.505 0.000 0.866 178 R HN 0.414 nan 8.270 nan 0.000 0.447 179 F N 1.495 121.487 119.950 0.069 0.000 2.748 179 F HA 0.178 5.271 4.527 0.943 0.000 0.299 179 F C 1.878 177.735 175.800 0.095 0.000 1.154 179 F CA 0.130 58.191 58.000 0.102 0.000 1.446 179 F CB -0.002 39.049 39.000 0.085 0.000 1.112 179 F HN 0.157 nan 8.300 nan 0.000 0.584 180 I N -5.158 115.516 120.570 0.174 0.000 4.338 180 I HA 0.105 4.924 4.170 1.081 0.000 0.329 180 I C 1.574 177.739 176.117 0.079 0.000 1.378 180 I CA 0.021 61.387 61.300 0.110 0.000 1.170 180 I CB -0.076 37.927 38.000 0.006 0.000 1.206 180 I HN -0.201 nan 8.210 nan 0.000 0.432 181 M N 2.679 122.344 119.600 0.108 0.000 2.144 181 M HA -0.178 4.951 4.480 1.081 0.000 0.260 181 M C 1.953 178.368 176.300 0.192 0.000 1.067 181 M CA 2.074 57.475 55.300 0.167 0.000 1.095 181 M CB -1.140 31.554 32.600 0.156 0.000 1.365 181 M HN 0.586 nan 8.290 nan 0.000 0.406 182 D N -0.038 120.476 120.400 0.191 0.000 2.117 182 D HA -0.185 5.103 4.640 1.081 0.000 0.198 182 D C 1.913 178.385 176.300 0.286 0.000 0.982 182 D CA 1.211 55.351 54.000 0.234 0.000 0.828 182 D CB -0.723 40.216 40.800 0.231 0.000 0.967 182 D HN 0.372 nan 8.370 nan 0.000 0.464 183 R N 0.093 120.738 120.500 0.242 0.000 2.120 183 R HA 0.026 5.014 4.340 1.081 0.000 0.234 183 R C 2.609 178.836 176.300 -0.121 0.000 1.123 183 R CA 0.857 56.974 56.100 0.029 0.000 0.975 183 R CB -0.261 29.988 30.300 -0.086 0.000 0.866 183 R HN 0.314 nan 8.270 nan 0.000 0.446 184 L N -1.502 119.594 121.223 -0.212 0.000 2.209 184 L HA -0.039 4.949 4.340 1.081 0.000 0.207 184 L C 1.276 177.709 176.870 -0.728 0.000 1.094 184 L CA 1.085 55.584 54.840 -0.567 0.000 0.790 184 L CB -0.056 41.477 42.059 -0.878 0.000 0.932 184 L HN 0.161 nan 8.230 nan 0.000 0.447 185 Y N -2.278 118.047 120.300 0.041 0.000 2.572 185 Y HA 0.240 5.435 4.550 1.075 0.000 0.274 185 Y C 0.560 176.495 175.900 0.059 0.000 1.135 185 Y CA -0.744 57.378 58.100 0.038 0.000 1.230 185 Y CB 0.497 38.969 38.460 0.021 0.000 1.293 185 Y HN 0.050 nan 8.280 nan 0.000 0.501 186 N N 0.175 119.007 118.700 0.219 0.000 2.827 186 N HA 0.099 5.487 4.740 1.081 0.000 0.240 186 N C -2.020 173.603 175.510 0.188 0.000 1.352 186 N CA -0.297 52.855 53.050 0.170 0.000 0.760 186 N CB -0.056 38.506 38.487 0.125 0.000 1.426 186 N HN 0.007 nan 8.380 nan 0.000 0.561 187 F N 3.164 123.137 119.950 0.039 0.000 2.420 187 F HA 0.391 5.562 4.527 1.074 0.000 0.352 187 F C 1.286 177.107 175.800 0.036 0.000 1.108 187 F CA 0.074 58.098 58.000 0.039 0.000 1.162 187 F CB 1.035 40.055 39.000 0.032 0.000 1.118 187 F HN 0.533 nan 8.300 nan 0.000 0.510 188 S N 5.643 121.015 115.700 -0.547 0.000 3.549 188 S HA -0.301 4.818 4.470 1.081 0.000 0.366 188 S C 0.426 174.940 174.600 -0.144 0.000 1.012 188 S CA 0.949 58.913 58.200 -0.393 0.000 1.141 188 S CB -1.764 61.175 63.200 -0.435 0.000 0.910 188 S HN 1.008 nan 8.310 nan 0.000 0.471 189 N N -1.118 117.531 118.700 -0.085 0.000 2.708 189 N HA -0.209 5.180 4.740 1.081 0.000 0.249 189 N C 0.715 176.225 175.510 0.000 0.000 1.097 189 N CA 1.574 54.605 53.050 -0.032 0.000 0.710 189 N CB -2.084 36.377 38.487 -0.043 0.000 1.032 189 N HN 0.991 nan 8.380 nan 0.000 0.551 190 T N -4.600 109.971 114.554 0.029 0.000 3.044 190 T HA 0.342 5.341 4.350 1.081 0.000 0.250 190 T C 1.520 176.256 174.700 0.059 0.000 1.081 190 T CA 1.105 63.236 62.100 0.051 0.000 1.040 190 T CB 0.583 69.503 68.868 0.086 0.000 0.962 190 T HN 0.607 nan 8.240 nan 0.000 0.506 191 G N 1.229 110.069 108.800 0.068 0.000 2.168 191 G HA2 -0.207 4.401 3.960 1.081 0.000 0.263 191 G HA3 -0.207 4.401 3.960 1.081 0.000 0.263 191 G C -0.117 174.835 174.900 0.086 0.000 0.977 191 G CA 0.539 45.681 45.100 0.071 0.000 0.659 191 G HN 0.645 nan 8.290 nan 0.000 0.533 192 L N 0.821 122.104 121.223 0.099 0.000 2.333 192 L HA 0.593 5.581 4.340 1.081 0.000 0.263 192 L C -1.919 175.014 176.870 0.104 0.000 1.014 192 L CA -2.685 52.208 54.840 0.089 0.000 0.820 192 L CB 2.399 44.502 42.059 0.072 0.000 1.352 192 L HN -0.132 nan 8.230 nan 0.000 0.421 193 P HA -0.015 nan 4.420 nan 0.000 0.272 193 P C -1.080 176.194 177.300 -0.042 0.000 1.240 193 P CA -0.304 62.784 63.100 -0.019 0.000 0.791 193 P CB 0.619 32.261 31.700 -0.097 0.000 0.978 194 D N 1.810 122.076 120.400 -0.223 0.000 2.412 194 D HA 0.002 5.290 4.640 1.081 0.000 0.257 194 D C -1.048 175.098 176.300 -0.257 0.000 1.217 194 D CA -1.828 51.853 54.000 -0.531 0.000 0.897 194 D CB 0.286 40.472 40.800 -1.024 0.000 1.132 194 D HN 0.192 nan 8.370 nan 0.000 0.493 195 P HA -0.119 nan 4.420 nan 0.000 0.225 195 P C 0.861 178.121 177.300 -0.068 0.000 1.148 195 P CA 0.921 63.981 63.100 -0.066 0.000 0.779 195 P CB -0.073 31.620 31.700 -0.011 0.000 0.780 196 T N -3.501 110.988 114.554 -0.108 0.000 3.129 196 T HA 0.155 5.154 4.350 1.081 0.000 0.251 196 T C 0.563 175.230 174.700 -0.054 0.000 1.117 196 T CA -0.369 61.696 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 -0.084 nan 8.240 nan 0.000 0.526 197 L N 3.043 124.212 121.223 -0.088 0.000 2.264 197 L HA 0.435 5.424 4.340 1.081 0.000 0.289 197 L C -0.031 176.832 176.870 -0.013 0.000 1.044 197 L CA -0.963 53.846 54.840 -0.051 0.000 0.807 197 L CB 0.811 42.803 42.059 -0.111 0.000 1.192 197 L HN 0.155 nan 8.230 nan 0.000 0.425 198 N N 2.481 121.203 118.700 0.037 0.000 2.294 198 N HA -0.136 5.253 4.740 1.081 0.000 0.263 198 N C 0.931 176.464 175.510 0.039 0.000 1.281 198 N CA 0.932 54.005 53.050 0.039 0.000 0.846 198 N CB 1.045 39.560 38.487 0.046 0.000 1.061 198 N HN 0.895 nan 8.380 nan 0.000 0.478 199 T N 0.628 115.190 114.554 0.013 0.000 2.881 199 T HA -0.120 4.879 4.350 1.081 0.000 0.270 199 T C 1.654 176.362 174.700 0.014 0.000 1.068 199 T CA 1.641 63.741 62.100 0.001 0.000 1.131 199 T CB -0.263 68.602 68.868 -0.004 0.000 0.871 199 T HN 0.509 nan 8.240 nan 0.000 0.479 200 T N 0.569 115.145 114.554 0.037 0.000 2.770 200 T HA 0.017 5.015 4.350 1.081 0.000 0.263 200 T C 1.453 176.213 174.700 0.098 0.000 1.039 200 T CA 0.950 63.078 62.100 0.047 0.000 1.142 200 T CB -0.535 68.355 68.868 0.036 0.000 0.868 200 T HN 0.425 nan 8.240 nan 0.000 0.435 201 Y N 1.924 122.194 120.300 -0.049 0.000 2.293 201 Y HA 0.010 5.208 4.550 1.081 0.000 0.291 201 Y C 2.043 177.904 175.900 -0.065 0.000 1.137 201 Y CA 0.078 58.145 58.100 -0.055 0.000 1.202 201 Y CB -0.718 37.704 38.460 -0.064 0.000 0.990 201 Y HN 0.109 nan 8.280 nan 0.000 0.537 202 L N 0.330 121.526 121.223 -0.045 0.000 2.042 202 L HA -0.242 4.747 4.340 1.081 0.000 0.210 202 L C 2.084 178.863 176.870 -0.152 0.000 1.076 202 L CA 1.957 56.700 54.840 -0.161 0.000 0.749 202 L CB -0.918 41.073 42.059 -0.114 0.000 0.893 202 L HN 0.103 nan 8.230 nan 0.000 0.432 203 Q N -0.513 119.245 119.800 -0.070 0.000 2.050 203 Q HA -0.150 4.838 4.340 1.081 0.000 0.202 203 Q C 2.261 178.231 176.000 -0.049 0.000 0.980 203 Q CA 2.383 58.160 55.803 -0.044 0.000 0.840 203 Q CB -1.047 27.686 28.738 -0.008 0.000 0.898 203 Q HN 0.562 nan 8.270 nan 0.000 0.424 204 T N 0.990 115.520 114.554 -0.041 0.000 2.684 204 T HA -0.099 4.899 4.350 1.081 0.000 0.267 204 T C 1.829 176.461 174.700 -0.114 0.000 1.036 204 T CA 1.096 63.175 62.100 -0.035 0.000 1.148 204 T CB -0.305 68.598 68.868 0.058 0.000 0.863 204 T HN 0.173 nan 8.240 nan 0.000 0.436 205 L N 0.232 121.300 121.223 -0.258 0.000 2.083 205 L HA -0.051 4.937 4.340 1.081 0.000 0.209 205 L C 2.857 179.630 176.870 -0.161 0.000 1.083 205 L CA 1.262 55.929 54.840 -0.288 0.000 0.752 205 L CB -0.461 41.316 42.059 -0.469 0.000 0.899 205 L HN 0.157 nan 8.230 nan 0.000 0.433 206 R N -0.183 120.234 120.500 -0.137 0.000 2.115 206 R HA -0.086 4.903 4.340 1.081 0.000 0.230 206 R C 2.339 178.669 176.300 0.049 0.000 1.111 206 R CA 1.091 57.177 56.100 -0.023 0.000 0.976 206 R CB -0.476 29.813 30.300 -0.019 0.000 0.870 206 R HN 0.415 nan 8.270 nan 0.000 0.445 207 G N 0.495 109.296 108.800 0.001 0.000 2.421 207 G HA2 -0.164 4.444 3.960 1.081 0.000 0.217 207 G HA3 -0.164 4.444 3.960 1.081 0.000 0.217 207 G C 1.349 176.253 174.900 0.006 0.000 1.143 207 G CA 0.235 45.342 45.100 0.012 0.000 0.784 207 G HN 0.136 nan 8.290 nan 0.000 0.541 208 L N -0.363 120.852 121.223 -0.014 0.000 2.209 208 L HA 0.157 5.146 4.340 1.081 0.000 0.207 208 L C 0.548 177.415 176.870 -0.006 0.000 1.094 208 L CA 0.181 55.011 54.840 -0.017 0.000 0.790 208 L CB 0.237 42.272 42.059 -0.041 0.000 0.932 208 L HN 0.120 nan 8.230 nan 0.000 0.447 209 c N 1.057 119.665 118.600 0.013 0.000 3.169 209 c HA 0.340 5.559 4.570 1.081 0.000 0.232 209 c C -2.095 172.083 174.090 0.147 0.000 1.316 209 c CA -1.597 54.762 56.329 0.051 0.000 1.545 209 c CB -0.279 42.252 42.510 0.034 0.000 1.785 209 c HN 0.107 nan 8.230 nan 0.000 0.454 210 P HA 0.049 nan 4.420 nan 0.000 0.269 210 P C -0.025 177.230 177.300 -0.075 0.000 1.215 210 P CA 0.097 63.233 63.100 0.061 0.000 0.780 210 P CB 1.127 32.830 31.700 0.005 0.000 0.898 211 L N 3.042 124.039 121.223 -0.377 0.000 2.490 211 L HA -0.044 4.945 4.340 1.081 0.000 0.274 211 L C 0.958 177.687 176.870 -0.234 0.000 1.201 211 L CA 0.628 55.150 54.840 -0.530 0.000 0.869 211 L CB -0.781 40.799 42.059 -0.799 0.000 1.123 211 L HN 0.632 nan 8.230 nan 0.000 0.484 212 N N 1.294 119.897 118.700 -0.162 0.000 2.800 212 N HA -0.172 5.217 4.740 1.081 0.000 0.250 212 N C 0.331 175.800 175.510 -0.069 0.000 1.078 212 N CA 0.326 53.317 53.050 -0.098 0.000 0.804 212 N CB -0.930 37.499 38.487 -0.096 0.000 1.135 212 N HN 0.806 nan 8.380 nan 0.000 0.565 213 G N 0.500 109.264 108.800 -0.061 0.000 2.531 213 G HA2 0.219 4.828 3.960 1.081 0.000 0.281 213 G HA3 0.219 4.828 3.960 1.081 0.000 0.281 213 G C -0.229 174.653 174.900 -0.031 0.000 1.382 213 G CA -0.436 44.641 45.100 -0.037 0.000 1.045 213 G HN 0.295 nan 8.290 nan 0.000 0.533 214 N N 0.116 118.802 118.700 -0.024 0.000 2.406 214 N HA 0.038 5.426 4.740 1.081 0.000 0.265 214 N C 1.375 176.866 175.510 -0.033 0.000 1.203 214 N CA -0.423 52.612 53.050 -0.025 0.000 0.945 214 N CB 0.224 38.700 38.487 -0.019 0.000 1.165 214 N HN 0.320 nan 8.380 nan 0.000 0.485 215 L N 2.342 123.538 121.223 -0.045 0.000 2.376 215 L HA -0.071 4.917 4.340 1.081 0.000 0.219 215 L C 1.739 178.553 176.870 -0.092 0.000 1.133 215 L CA 0.587 55.384 54.840 -0.071 0.000 0.816 215 L CB -0.085 41.923 42.059 -0.085 0.000 0.933 215 L HN 0.538 nan 8.230 nan 0.000 0.449 216 S N -0.172 115.492 115.700 -0.061 0.000 2.593 216 S HA 0.222 5.341 4.470 1.081 0.000 0.217 216 S C 1.070 175.652 174.600 -0.029 0.000 0.966 216 S CA -0.069 58.102 58.200 -0.048 0.000 0.914 216 S CB -0.023 63.163 63.200 -0.023 0.000 0.776 216 S HN 0.361 nan 8.310 nan 0.000 0.523 217 A N 1.731 124.533 122.820 -0.030 0.000 2.531 217 A HA 0.376 5.345 4.320 1.081 0.000 0.236 217 A C 0.007 177.578 177.584 -0.021 0.000 1.062 217 A CA 0.156 52.182 52.037 -0.019 0.000 0.760 217 A CB -0.040 18.949 19.000 -0.019 0.000 0.995 217 A HN 0.467 nan 8.150 nan 0.000 0.501 218 L N 2.538 123.755 121.223 -0.011 0.000 2.309 218 L HA 0.628 5.616 4.340 1.081 0.000 0.282 218 L C -0.037 176.818 176.870 -0.025 0.000 1.036 218 L CA -0.631 54.202 54.840 -0.012 0.000 0.806 218 L CB 1.410 43.473 42.059 0.007 0.000 1.220 218 L HN 0.516 nan 8.230 nan 0.000 0.429 219 V N 1.933 121.813 119.914 -0.055 0.000 2.823 219 V HA 0.391 5.159 4.120 1.081 0.000 0.312 219 V C -0.815 175.232 176.094 -0.079 0.000 1.072 219 V CA -0.683 61.577 62.300 -0.068 0.000 0.937 219 V CB 2.492 34.251 31.823 -0.108 0.000 1.013 219 V HN 0.665 nan 8.190 nan 0.000 0.430 220 D N 4.130 124.523 120.400 -0.012 0.000 2.390 220 D HA 0.133 5.421 4.640 1.081 0.000 0.249 220 D C 0.532 176.861 176.300 0.049 0.000 1.144 220 D CA 0.313 54.343 54.000 0.050 0.000 0.880 220 D CB 1.326 42.181 40.800 0.091 0.000 1.182 220 D HN 0.525 nan 8.370 nan 0.000 0.451 221 F N 0.568 120.560 119.950 0.070 0.000 2.186 221 F HA -0.150 5.017 4.527 1.067 0.000 0.299 221 F C 1.372 177.246 175.800 0.123 0.000 1.090 221 F CA 0.964 59.012 58.000 0.081 0.000 1.307 221 F CB 0.248 39.281 39.000 0.055 0.000 1.019 221 F HN 0.202 nan 8.300 nan 0.000 0.489 222 D N 0.175 120.753 120.400 0.296 0.000 2.441 222 D HA 0.139 5.427 4.640 1.081 0.000 0.231 222 D C 0.943 177.298 176.300 0.093 0.000 1.073 222 D CA -0.241 53.862 54.000 0.171 0.000 0.850 222 D CB 0.865 41.755 40.800 0.150 0.000 1.062 222 D HN 0.241 nan 8.370 nan 0.000 0.524 223 L N 1.983 123.222 121.223 0.027 0.000 2.362 223 L HA 0.117 5.105 4.340 1.081 0.000 0.219 223 L C 1.694 178.548 176.870 -0.027 0.000 1.134 223 L CA 0.411 55.250 54.840 -0.002 0.000 0.807 223 L CB 0.084 42.080 42.059 -0.106 0.000 0.927 223 L HN 0.137 nan 8.230 nan 0.000 0.447 224 R N 0.904 121.379 120.500 -0.042 0.000 2.052 224 R HA 0.047 5.036 4.340 1.081 0.000 0.224 224 R C 0.463 176.763 176.300 -0.000 0.000 1.149 224 R CA 1.528 57.606 56.100 -0.038 0.000 0.962 224 R CB -0.145 30.118 30.300 -0.061 0.000 0.856 224 R HN 0.546 nan 8.270 nan 0.000 0.433 225 T N -1.877 112.688 114.554 0.019 0.000 3.226 225 T HA 0.307 5.306 4.350 1.081 0.000 0.378 225 T C -2.492 172.260 174.700 0.086 0.000 1.380 225 T CA -1.855 60.272 62.100 0.045 0.000 1.396 225 T CB 1.662 70.552 68.868 0.037 0.000 1.044 225 T HN -0.166 nan 8.240 nan 0.000 0.586 226 P HA -0.163 nan 4.420 nan 0.000 0.217 226 P C 1.498 178.916 177.300 0.197 0.000 1.151 226 P CA 1.608 64.792 63.100 0.140 0.000 0.849 226 P CB 0.074 31.836 31.700 0.104 0.000 0.787 227 T N -6.058 108.608 114.554 0.187 0.000 3.040 227 T HA 0.287 5.286 4.350 1.081 0.000 0.266 227 T C 0.465 175.349 174.700 0.307 0.000 1.005 227 T CA -0.209 62.044 62.100 0.255 0.000 0.906 227 T CB -0.354 68.612 68.868 0.164 0.000 1.082 227 T HN -0.089 nan 8.240 nan 0.000 0.531 228 I N 1.907 122.598 120.570 0.203 0.000 2.359 228 I HA 0.419 5.237 4.170 1.081 0.000 0.294 228 I C -0.673 175.470 176.117 0.044 0.000 0.987 228 I CA -1.272 60.117 61.300 0.148 0.000 1.225 228 I CB 1.380 39.443 38.000 0.105 0.000 1.366 228 I HN 0.105 nan 8.210 nan 0.000 0.466 229 F N 7.611 127.468 119.950 -0.154 0.000 2.439 229 F HA 0.202 5.377 4.527 1.079 0.000 0.356 229 F C -0.060 175.745 175.800 0.008 0.000 1.161 229 F CA -0.037 57.755 58.000 -0.346 0.000 1.151 229 F CB -0.191 38.471 39.000 -0.565 0.000 1.222 229 F HN 0.562 nan 8.300 nan 0.000 0.558 230 D N 2.477 122.788 120.400 -0.149 0.000 2.825 230 D HA 0.138 5.426 4.640 1.081 0.000 0.327 230 D C -0.220 176.112 176.300 0.052 0.000 1.277 230 D CA -0.737 53.356 54.000 0.155 0.000 0.950 230 D CB 0.135 40.987 40.800 0.085 0.000 1.438 230 D HN 0.237 nan 8.370 nan 0.000 0.526 231 N N -0.374 118.373 118.700 0.077 0.000 2.383 231 N HA -0.056 5.333 4.740 1.081 0.000 0.192 231 N C 0.543 176.030 175.510 -0.039 0.000 1.141 231 N CA -0.053 52.964 53.050 -0.056 0.000 0.851 231 N CB 0.027 38.525 38.487 0.018 0.000 0.976 231 N HN 0.186 nan 8.380 nan 0.000 0.465 232 K N 0.501 120.861 120.400 -0.066 0.000 2.211 232 K HA -0.176 4.792 4.320 1.081 0.000 0.204 232 K C 1.359 177.888 176.600 -0.118 0.000 1.047 232 K CA 0.643 56.885 56.287 -0.075 0.000 0.935 232 K CB -0.779 31.684 32.500 -0.060 0.000 0.728 232 K HN 0.414 nan 8.250 nan 0.000 0.452 233 Y N 0.782 120.886 120.300 -0.327 0.000 2.151 233 Y HA -0.324 4.872 4.550 1.076 0.000 0.284 233 Y C 1.790 177.394 175.900 -0.493 0.000 1.166 233 Y CA 1.689 59.521 58.100 -0.446 0.000 1.163 233 Y CB -0.419 37.634 38.460 -0.679 0.000 0.974 233 Y HN 0.030 nan 8.280 nan 0.000 0.511 234 Y N -1.414 118.730 120.300 -0.260 0.000 2.337 234 Y HA -0.108 5.091 4.550 1.083 0.000 0.293 234 Y C 2.480 178.177 175.900 -0.340 0.000 1.123 234 Y CA 1.170 59.079 58.100 -0.318 0.000 1.201 234 Y CB -0.734 37.632 38.460 -0.157 0.000 1.011 234 Y HN -0.035 nan 8.280 nan 0.000 0.545 235 V N 0.523 120.352 119.914 -0.141 0.000 2.427 235 V HA -0.282 4.487 4.120 1.081 0.000 0.248 235 V C 1.842 177.773 176.094 -0.271 0.000 1.051 235 V CA 1.827 64.018 62.300 -0.181 0.000 1.048 235 V CB -0.545 31.200 31.823 -0.130 0.000 0.666 235 V HN 0.468 nan 8.190 nan 0.000 0.456 236 N N 0.592 119.108 118.700 -0.306 0.000 2.069 236 N HA -0.122 5.266 4.740 1.081 0.000 0.191 236 N C 1.834 177.112 175.510 -0.386 0.000 1.031 236 N CA 1.423 54.270 53.050 -0.337 0.000 0.852 236 N CB -0.523 37.761 38.487 -0.337 0.000 1.018 236 N HN 0.389 nan 8.380 nan 0.000 0.423 237 L N 1.388 122.320 121.223 -0.486 0.000 2.042 237 L HA -0.154 4.834 4.340 1.081 0.000 0.210 237 L C 2.010 178.441 176.870 -0.732 0.000 1.076 237 L CA 1.304 55.846 54.840 -0.496 0.000 0.749 237 L CB -0.574 41.199 42.059 -0.477 0.000 0.893 237 L HN 0.229 nan 8.230 nan 0.000 0.432 238 E N 0.229 119.900 120.200 -0.883 0.000 2.267 238 E HA -0.203 4.796 4.350 1.081 0.000 0.197 238 E C 1.212 177.500 176.600 -0.520 0.000 0.998 238 E CA 0.953 56.691 56.400 -1.104 0.000 0.830 238 E CB -0.016 29.315 29.700 -0.615 0.000 0.751 238 E HN 0.606 nan 8.360 nan 0.000 0.491 239 E N 0.341 120.331 120.200 -0.350 0.000 2.465 239 E HA 0.016 5.014 4.350 1.081 0.000 0.195 239 E C -0.357 176.159 176.600 -0.140 0.000 1.028 239 E CA -0.112 56.171 56.400 -0.195 0.000 0.899 239 E CB 0.586 30.174 29.700 -0.188 0.000 1.032 239 E HN 0.062 nan 8.360 nan 0.000 0.468 240 Q N -0.117 119.598 119.800 -0.141 0.000 2.487 240 Q HA -0.211 4.777 4.340 1.081 0.000 0.279 240 Q C -0.011 175.961 176.000 -0.046 0.000 1.228 240 Q CA 0.943 56.716 55.803 -0.049 0.000 0.873 240 Q CB -2.102 26.639 28.738 0.005 0.000 1.260 240 Q HN 0.372 nan 8.270 nan 0.000 0.471 241 K N -0.273 120.049 120.400 -0.130 0.000 2.514 241 K HA 0.270 5.239 4.320 1.081 0.000 0.207 241 K C 0.866 177.429 176.600 -0.062 0.000 1.035 241 K CA 0.364 56.568 56.287 -0.139 0.000 1.113 241 K CB 0.924 33.154 32.500 -0.450 0.000 0.846 241 K HN 0.265 nan 8.250 nan 0.000 0.491 242 G N 1.031 109.795 108.800 -0.060 0.000 2.441 242 G HA2 0.043 4.651 3.960 1.081 0.000 0.243 242 G HA3 0.043 4.651 3.960 1.081 0.000 0.243 242 G C 0.694 175.669 174.900 0.125 0.000 1.281 242 G CA -0.416 44.663 45.100 -0.035 0.000 0.854 242 G HN 0.127 nan 8.290 nan 0.000 0.560 243 L N 3.097 124.429 121.223 0.182 0.000 2.023 243 L HA 0.230 5.218 4.340 1.081 0.000 0.205 243 L C 1.554 178.457 176.870 0.056 0.000 1.073 243 L CA 1.241 56.150 54.840 0.115 0.000 0.745 243 L CB -0.454 41.600 42.059 -0.007 0.000 0.900 243 L HN 0.652 nan 8.230 nan 0.000 0.435 244 I N -3.301 117.351 120.570 0.137 0.000 2.783 244 I HA 0.218 5.036 4.170 1.081 0.000 0.312 244 I C 1.277 177.496 176.117 0.170 0.000 0.988 244 I CA -0.587 60.803 61.300 0.150 0.000 1.182 244 I CB 0.951 39.069 38.000 0.198 0.000 1.368 244 I HN 0.283 nan 8.210 nan 0.000 0.511 245 Q N 2.304 122.215 119.800 0.186 0.000 2.077 245 Q HA -0.227 4.762 4.340 1.081 0.000 0.206 245 Q C 1.998 178.121 176.000 0.205 0.000 0.989 245 Q CA 3.269 59.194 55.803 0.203 0.000 0.853 245 Q CB -0.079 28.863 28.738 0.340 0.000 0.907 245 Q HN 0.961 nan 8.270 nan 0.000 0.418 246 S N 0.055 115.885 115.700 0.216 0.000 2.440 246 S HA -0.169 4.949 4.470 1.081 0.000 0.238 246 S C 1.221 175.947 174.600 0.210 0.000 1.010 246 S CA 1.285 59.607 58.200 0.204 0.000 0.972 246 S CB -0.215 63.091 63.200 0.177 0.000 0.774 246 S HN 0.407 nan 8.310 nan 0.000 0.501 247 D N 1.414 121.964 120.400 0.251 0.000 2.106 247 D HA -0.036 5.253 4.640 1.081 0.000 0.203 247 D C 2.143 178.520 176.300 0.128 0.000 0.977 247 D CA 1.235 55.393 54.000 0.263 0.000 0.844 247 D CB -0.621 40.370 40.800 0.319 0.000 1.002 247 D HN 0.368 nan 8.370 nan 0.000 0.461 248 Q N 0.902 120.763 119.800 0.101 0.000 2.226 248 Q HA -0.124 4.864 4.340 1.081 0.000 0.204 248 Q C 1.682 177.753 176.000 0.119 0.000 0.975 248 Q CA 1.071 56.920 55.803 0.077 0.000 0.866 248 Q CB -0.074 28.694 28.738 0.051 0.000 0.915 248 Q HN 0.193 nan 8.270 nan 0.000 0.440 249 E N -0.137 120.138 120.200 0.125 0.000 2.209 249 E HA -0.158 4.840 4.350 1.081 0.000 0.196 249 E C 1.838 178.502 176.600 0.107 0.000 0.993 249 E CA 0.827 57.299 56.400 0.120 0.000 0.819 249 E CB -0.134 29.649 29.700 0.139 0.000 0.745 249 E HN 0.464 nan 8.360 nan 0.000 0.477 250 L N -0.707 120.592 121.223 0.127 0.000 2.191 250 L HA -0.132 4.856 4.340 1.081 0.000 0.212 250 L C 2.191 179.158 176.870 0.161 0.000 1.103 250 L CA 0.900 55.816 54.840 0.128 0.000 0.769 250 L CB -0.240 41.916 42.059 0.162 0.000 0.908 250 L HN 0.058 nan 8.230 nan 0.000 0.438 251 F N -1.188 118.760 119.950 -0.002 0.000 2.653 251 F HA 0.090 5.264 4.527 1.078 0.000 0.288 251 F C 2.119 177.909 175.800 -0.016 0.000 1.121 251 F CA 0.391 58.380 58.000 -0.019 0.000 1.384 251 F CB 0.418 39.395 39.000 -0.039 0.000 1.115 251 F HN -0.179 nan 8.300 nan 0.000 0.599 252 S N -1.073 114.654 115.700 0.046 0.000 2.512 252 S HA 0.110 5.228 4.470 1.081 0.000 0.216 252 S C 0.683 175.268 174.600 -0.025 0.000 1.006 252 S CA 0.042 58.224 58.200 -0.030 0.000 0.915 252 S CB -0.047 63.191 63.200 0.062 0.000 0.824 252 S HN 0.205 nan 8.310 nan 0.000 0.497 253 S N 2.607 118.309 115.700 0.004 0.000 2.568 253 S HA 0.147 5.266 4.470 1.081 0.000 0.282 253 S C -1.889 172.703 174.600 -0.014 0.000 1.338 253 S CA -1.118 57.093 58.200 0.019 0.000 1.045 253 S CB 0.721 63.945 63.200 0.041 0.000 0.873 253 S HN -0.014 nan 8.310 nan 0.000 0.516 254 P HA -0.031 nan 4.420 nan 0.000 0.225 254 P C 0.700 177.990 177.300 -0.017 0.000 1.148 254 P CA 0.785 63.877 63.100 -0.013 0.000 0.779 254 P CB -0.003 31.699 31.700 0.004 0.000 0.780 255 N N -0.598 118.098 118.700 -0.007 0.000 2.268 255 N HA 0.088 5.476 4.740 1.081 0.000 0.204 255 N C 0.697 176.197 175.510 -0.017 0.000 1.124 255 N CA -0.061 52.984 53.050 -0.007 0.000 0.838 255 N CB 0.154 38.645 38.487 0.007 0.000 0.994 255 N HN -0.060 nan 8.380 nan 0.000 0.489 256 A N -0.157 122.642 122.820 -0.034 0.000 2.327 256 A HA 0.115 5.084 4.320 1.081 0.000 0.228 256 A C 1.649 179.191 177.584 -0.070 0.000 1.275 256 A CA 0.049 52.057 52.037 -0.048 0.000 0.875 256 A CB -0.371 18.590 19.000 -0.065 0.000 0.925 256 A HN 0.193 nan 8.150 nan 0.000 0.493 257 T N 1.360 115.877 114.554 -0.061 0.000 2.759 257 T HA -0.172 4.827 4.350 1.081 0.000 0.269 257 T C 1.653 176.319 174.700 -0.057 0.000 1.042 257 T CA 1.877 63.938 62.100 -0.064 0.000 1.140 257 T CB -0.264 68.576 68.868 -0.048 0.000 0.864 257 T HN 0.877 nan 8.240 nan 0.000 0.455 258 D N 0.902 121.275 120.400 -0.044 0.000 2.271 258 D HA -0.049 5.239 4.640 1.081 0.000 0.206 258 D C 2.079 178.349 176.300 -0.050 0.000 0.967 258 D CA 1.317 55.292 54.000 -0.041 0.000 0.867 258 D CB -0.825 39.959 40.800 -0.026 0.000 0.960 258 D HN 0.532 nan 8.370 nan 0.000 0.509 259 T N -1.297 113.231 114.554 -0.043 0.000 3.035 259 T HA 0.150 5.148 4.350 1.081 0.000 0.259 259 T C 2.333 177.011 174.700 -0.036 0.000 1.078 259 T CA -0.010 62.068 62.100 -0.036 0.000 1.132 259 T CB -0.484 68.384 68.868 0.001 0.000 0.900 259 T HN 0.082 nan 8.240 nan 0.000 0.480 260 I N 2.706 123.246 120.570 -0.050 0.000 2.163 260 I HA -0.091 4.727 4.170 1.081 0.000 0.243 260 I C -0.217 175.887 176.117 -0.023 0.000 1.085 260 I CA 1.395 62.673 61.300 -0.037 0.000 1.347 260 I CB -1.027 36.861 38.000 -0.186 0.000 1.044 260 I HN 0.239 nan 8.210 nan 0.000 0.408 261 P HA -0.160 nan 4.420 nan 0.000 0.218 261 P C 1.926 179.110 177.300 -0.193 0.000 1.149 261 P CA 1.574 64.617 63.100 -0.095 0.000 0.817 261 P CB -0.000 31.648 31.700 -0.086 0.000 0.785 262 L N -0.806 120.254 121.223 -0.272 0.000 2.044 262 L HA -0.106 4.882 4.340 1.081 0.000 0.205 262 L C 2.801 179.196 176.870 -0.793 0.000 1.075 262 L CA 1.107 55.578 54.840 -0.615 0.000 0.747 262 L CB -1.117 40.635 42.059 -0.513 0.000 0.903 262 L HN -0.185 nan 8.230 nan 0.000 0.435 263 V N 0.015 119.737 119.914 -0.320 0.000 2.287 263 V HA -0.328 4.440 4.120 1.081 0.000 0.248 263 V C 2.646 178.657 176.094 -0.137 0.000 1.053 263 V CA 1.897 64.135 62.300 -0.104 0.000 1.027 263 V CB -0.632 31.309 31.823 0.196 0.000 0.646 263 V HN 0.407 nan 8.190 nan 0.000 0.447 264 R N 0.682 121.140 120.500 -0.070 0.000 2.073 264 R HA -0.160 4.828 4.340 1.081 0.000 0.234 264 R C 2.658 178.902 176.300 -0.093 0.000 1.134 264 R CA 1.805 57.880 56.100 -0.042 0.000 0.952 264 R CB -0.642 29.665 30.300 0.012 0.000 0.850 264 R HN 0.710 nan 8.270 nan 0.000 0.433 265 S N 0.386 115.983 115.700 -0.172 0.000 2.383 265 S HA -0.129 4.989 4.470 1.081 0.000 0.229 265 S C 1.769 176.399 174.600 0.050 0.000 1.030 265 S CA 1.057 59.197 58.200 -0.099 0.000 1.002 265 S CB -0.361 62.746 63.200 -0.155 0.000 0.829 265 S HN 0.155 nan 8.310 nan 0.000 0.467 266 F N 2.272 122.078 119.950 -0.240 0.000 2.367 266 F HA 0.436 5.610 4.527 1.078 0.000 0.298 266 F C 2.774 178.392 175.800 -0.304 0.000 1.094 266 F CA -0.468 57.303 58.000 -0.382 0.000 1.409 266 F CB -1.400 36.967 39.000 -1.055 0.000 1.064 266 F HN 0.366 nan 8.300 nan 0.000 0.528 267 A N 0.237 123.036 122.820 -0.034 0.000 1.970 267 A HA -0.135 4.833 4.320 1.081 0.000 0.216 267 A C 1.988 179.566 177.584 -0.011 0.000 1.170 267 A CA 1.404 53.443 52.037 0.004 0.000 0.645 267 A CB -0.938 18.053 19.000 -0.016 0.000 0.816 267 A HN 0.429 nan 8.150 nan 0.000 0.447 268 N N -0.963 117.733 118.700 -0.008 0.000 2.354 268 N HA 0.003 5.392 4.740 1.081 0.000 0.179 268 N C 0.185 175.693 175.510 -0.004 0.000 1.021 268 N CA 0.741 53.786 53.050 -0.008 0.000 0.887 268 N CB 0.137 38.619 38.487 -0.007 0.000 0.974 268 N HN 0.308 nan 8.380 nan 0.000 0.437 269 S N -0.913 114.797 115.700 0.016 0.000 2.677 269 S HA 0.220 5.338 4.470 1.081 0.000 0.283 269 S C 0.562 175.154 174.600 -0.014 0.000 1.159 269 S CA -0.734 57.466 58.200 -0.000 0.000 1.001 269 S CB 1.505 64.715 63.200 0.017 0.000 1.032 269 S HN -0.042 nan 8.310 nan 0.000 0.487 270 T N 3.790 118.281 114.554 -0.105 0.000 2.746 270 T HA -0.142 4.856 4.350 1.081 0.000 0.267 270 T C 1.797 176.300 174.700 -0.330 0.000 1.039 270 T CA 1.747 63.684 62.100 -0.272 0.000 1.142 270 T CB -0.286 68.320 68.868 -0.436 0.000 0.866 270 T HN 0.764 nan 8.240 nan 0.000 0.444 271 Q N 0.291 119.974 119.800 -0.194 0.000 2.084 271 Q HA -0.152 4.836 4.340 1.081 0.000 0.202 271 Q C 2.240 178.224 176.000 -0.027 0.000 0.978 271 Q CA 1.712 57.456 55.803 -0.099 0.000 0.844 271 Q CB -0.241 28.468 28.738 -0.049 0.000 0.898 271 Q HN 0.438 nan 8.270 nan 0.000 0.426 272 T N 0.845 115.406 114.554 0.012 0.000 2.708 272 T HA -0.159 4.840 4.350 1.081 0.000 0.266 272 T C 1.284 175.982 174.700 -0.004 0.000 1.037 272 T CA 1.341 63.486 62.100 0.075 0.000 1.146 272 T CB -0.453 68.519 68.868 0.173 0.000 0.865 272 T HN 0.371 nan 8.240 nan 0.000 0.435 273 F N 1.681 121.492 119.950 -0.231 0.000 2.075 273 F HA -0.011 5.163 4.527 1.079 0.000 0.297 273 F C 1.774 177.492 175.800 -0.137 0.000 1.113 273 F CA 0.709 58.381 58.000 -0.547 0.000 1.218 273 F CB -0.828 37.981 39.000 -0.319 0.000 0.984 273 F HN 0.049 nan 8.300 nan 0.000 0.472 274 F N 1.426 121.055 119.950 -0.534 0.000 2.126 274 F HA -0.229 4.946 4.527 1.080 0.000 0.299 274 F C 2.383 177.950 175.800 -0.389 0.000 1.096 274 F CA 1.430 59.112 58.000 -0.530 0.000 1.255 274 F CB -1.643 37.202 39.000 -0.258 0.000 0.997 274 F HN 0.084 nan 8.300 nan 0.000 0.479 275 N N 0.202 118.856 118.700 -0.076 0.000 2.084 275 N HA -0.125 5.264 4.740 1.081 0.000 0.190 275 N C 2.061 177.465 175.510 -0.178 0.000 1.030 275 N CA 1.507 54.486 53.050 -0.119 0.000 0.849 275 N CB -0.771 37.685 38.487 -0.052 0.000 1.012 275 N HN 0.232 nan 8.380 nan 0.000 0.423 276 A N 0.145 122.852 122.820 -0.188 0.000 1.930 276 A HA -0.094 4.874 4.320 1.081 0.000 0.217 276 A C 2.093 179.563 177.584 -0.190 0.000 1.175 276 A CA 0.787 52.729 52.037 -0.159 0.000 0.627 276 A CB -0.821 18.049 19.000 -0.217 0.000 0.815 276 A HN 0.277 nan 8.150 nan 0.000 0.443 277 F N 0.551 120.225 119.950 -0.461 0.000 2.146 277 F HA -0.121 5.053 4.527 1.077 0.000 0.298 277 F C 2.247 177.752 175.800 -0.491 0.000 1.096 277 F CA 1.796 59.535 58.000 -0.435 0.000 1.275 277 F CB -0.225 38.376 39.000 -0.666 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.298 119.829 119.914 -0.639 0.000 2.343 278 V HA -0.304 4.465 4.120 1.081 0.000 0.247 278 V C 2.365 178.070 176.094 -0.648 0.000 1.051 278 V CA 2.239 63.914 62.300 -1.043 0.000 1.036 278 V CB -0.757 30.423 31.823 -1.071 0.000 0.654 278 V HN 0.400 nan 8.190 nan 0.000 0.451 279 E N 0.254 120.217 120.200 -0.394 0.000 2.058 279 E HA -0.246 4.752 4.350 1.081 0.000 0.194 279 E C 2.225 178.713 176.600 -0.185 0.000 0.997 279 E CA 1.545 57.810 56.400 -0.225 0.000 0.801 279 E CB -0.261 29.361 29.700 -0.129 0.000 0.746 279 E HN 0.564 nan 8.360 nan 0.000 0.450 280 A N 0.683 123.381 122.820 -0.205 0.000 1.930 280 A HA -0.151 4.818 4.320 1.081 0.000 0.217 280 A C 2.175 179.647 177.584 -0.187 0.000 1.175 280 A CA 1.319 53.274 52.037 -0.136 0.000 0.627 280 A CB -0.357 18.595 19.000 -0.081 0.000 0.815 280 A HN 0.278 nan 8.150 nan 0.000 0.443 281 M N -0.023 119.346 119.600 -0.385 0.000 2.117 281 M HA -0.137 4.992 4.480 1.081 0.000 0.262 281 M C 1.302 177.588 176.300 -0.023 0.000 1.065 281 M CA 1.504 56.645 55.300 -0.265 0.000 1.114 281 M CB -1.293 31.069 32.600 -0.396 0.000 1.361 281 M HN 0.336 nan 8.290 nan 0.000 0.408 282 D N -0.460 119.912 120.400 -0.047 0.000 2.178 282 D HA -0.077 5.211 4.640 1.081 0.000 0.202 282 D C 2.169 178.483 176.300 0.024 0.000 0.974 282 D CA 0.873 54.903 54.000 0.049 0.000 0.841 282 D CB -0.143 40.675 40.800 0.031 0.000 0.953 282 D HN 0.330 nan 8.370 nan 0.000 0.478 283 R N -0.063 120.430 120.500 -0.013 0.000 2.075 283 R HA 0.023 5.011 4.340 1.081 0.000 0.232 283 R C 2.336 178.638 176.300 0.003 0.000 1.126 283 R CA 0.794 56.891 56.100 -0.004 0.000 0.963 283 R CB -0.228 30.070 30.300 -0.003 0.000 0.858 283 R HN 0.178 nan 8.270 nan 0.000 0.435 284 M N -0.024 119.586 119.600 0.016 0.000 2.159 284 M HA -0.061 5.067 4.480 1.081 0.000 0.263 284 M C 1.803 178.114 176.300 0.019 0.000 1.063 284 M CA 2.017 57.331 55.300 0.023 0.000 1.110 284 M CB -0.130 32.514 32.600 0.073 0.000 1.374 284 M HN 0.247 nan 8.290 nan 0.000 0.411 285 G N -0.126 108.725 108.800 0.084 0.000 2.679 285 G HA2 -0.201 4.408 3.960 1.081 0.000 0.212 285 G HA3 -0.201 4.408 3.960 1.081 0.000 0.212 285 G C 1.037 175.974 174.900 0.061 0.000 1.137 285 G CA 0.614 45.797 45.100 0.138 0.000 0.787 285 G HN 0.686 nan 8.290 nan 0.000 0.534 286 N N -0.204 118.508 118.700 0.020 0.000 2.230 286 N HA 0.168 5.557 4.740 1.081 0.000 0.202 286 N C 0.074 175.563 175.510 -0.035 0.000 1.119 286 N CA -0.386 52.660 53.050 -0.007 0.000 0.851 286 N CB 0.106 38.589 38.487 -0.007 0.000 0.990 286 N HN 0.140 nan 8.380 nan 0.000 0.497 287 I N 2.325 122.863 120.570 -0.052 0.000 2.505 287 I HA -0.073 4.745 4.170 1.081 0.000 0.287 287 I C 0.620 176.684 176.117 -0.089 0.000 1.104 287 I CA 0.042 61.287 61.300 -0.092 0.000 1.387 287 I CB 0.550 38.463 38.000 -0.144 0.000 1.404 287 I HN 0.236 nan 8.210 nan 0.000 0.528 288 T N 4.580 119.081 114.554 -0.089 0.000 3.107 288 T HA -0.127 4.871 4.350 1.081 0.000 0.431 288 T C -1.972 172.685 174.700 -0.071 0.000 0.773 288 T CA -0.690 61.359 62.100 -0.085 0.000 2.334 288 T CB -1.819 66.982 68.868 -0.111 0.000 1.592 288 T HN 0.473 nan 8.240 nan 0.000 0.542 289 P HA 0.491 nan 4.420 nan 0.000 0.277 289 P C 0.265 177.539 177.300 -0.044 0.000 1.240 289 P CA -0.917 62.155 63.100 -0.047 0.000 0.798 289 P CB 1.017 32.687 31.700 -0.049 0.000 0.979 290 L N 2.125 123.327 121.223 -0.035 0.000 2.292 290 L HA 0.431 5.419 4.340 1.081 0.000 0.284 290 L C 1.199 178.044 176.870 -0.042 0.000 1.065 290 L CA 0.018 54.842 54.840 -0.026 0.000 0.806 290 L CB 1.150 43.205 42.059 -0.007 0.000 1.175 290 L HN 0.567 nan 8.230 nan 0.000 0.431 291 T N -1.062 113.470 114.554 -0.037 0.000 2.804 291 T HA 0.764 5.763 4.350 1.081 0.000 0.290 291 T C 0.495 175.186 174.700 -0.014 0.000 1.099 291 T CA -0.054 62.016 62.100 -0.051 0.000 1.011 291 T CB 1.804 70.634 68.868 -0.062 0.000 1.291 291 T HN 0.862 nan 8.240 nan 0.000 0.523 292 G N 1.303 110.105 108.800 0.004 0.000 2.620 292 G HA2 -0.355 4.253 3.960 1.081 0.000 0.315 292 G HA3 -0.355 4.253 3.960 1.081 0.000 0.315 292 G C 0.983 175.911 174.900 0.047 0.000 1.179 292 G CA 1.886 47.010 45.100 0.040 0.000 0.971 292 G HN 2.093 nan 8.290 nan 0.000 0.544 293 T N -0.893 113.681 114.554 0.034 0.000 3.092 293 T HA 0.484 5.482 4.350 1.081 0.000 0.258 293 T C 0.797 175.513 174.700 0.028 0.000 1.031 293 T CA 0.971 63.092 62.100 0.035 0.000 0.925 293 T CB 0.294 69.180 68.868 0.030 0.000 1.036 293 T HN 0.734 nan 8.240 nan 0.000 0.544 294 Q N 1.457 121.269 119.800 0.020 0.000 2.327 294 Q HA 0.506 5.495 4.340 1.081 0.000 0.254 294 Q C 1.099 177.111 176.000 0.020 0.000 0.952 294 Q CA 0.329 56.142 55.803 0.016 0.000 0.884 294 Q CB 0.797 29.540 28.738 0.007 0.000 1.224 294 Q HN 0.582 nan 8.270 nan 0.000 0.422 295 G N 1.722 110.536 108.800 0.024 0.000 2.645 295 G HA2 -0.285 4.323 3.960 1.081 0.000 0.246 295 G HA3 -0.285 4.323 3.960 1.081 0.000 0.246 295 G C -0.692 174.227 174.900 0.033 0.000 1.322 295 G CA -0.199 44.918 45.100 0.028 0.000 0.898 295 G HN 0.638 nan 8.290 nan 0.000 0.573 296 Q N -1.481 118.341 119.800 0.037 0.000 2.892 296 Q HA 0.725 5.713 4.340 1.081 0.000 0.307 296 Q C -0.675 175.357 176.000 0.054 0.000 1.039 296 Q CA -1.157 54.673 55.803 0.044 0.000 0.792 296 Q CB 1.824 30.586 28.738 0.040 0.000 1.504 296 Q HN 0.440 nan 8.270 nan 0.000 0.487 297 I N 1.912 122.518 120.570 0.060 0.000 2.412 297 I HA 0.282 5.100 4.170 1.081 0.000 0.279 297 I C -0.112 176.036 176.117 0.052 0.000 1.063 297 I CA -0.301 61.041 61.300 0.070 0.000 1.193 297 I CB 0.453 38.506 38.000 0.089 0.000 1.370 297 I HN 0.535 nan 8.210 nan 0.000 0.479 298 R N 4.522 125.050 120.500 0.047 0.000 2.522 298 R HA 0.112 5.100 4.340 1.081 0.000 0.284 298 R C 0.824 177.144 176.300 0.032 0.000 1.032 298 R CA 0.092 56.216 56.100 0.039 0.000 1.049 298 R CB 0.818 31.142 30.300 0.041 0.000 0.956 298 R HN 0.574 nan 8.270 nan 0.000 0.422 299 L N 2.231 123.470 121.223 0.027 0.000 2.202 299 L HA 0.047 5.035 4.340 1.081 0.000 0.205 299 L C 0.773 177.654 176.870 0.018 0.000 1.083 299 L CA 0.436 55.288 54.840 0.020 0.000 0.790 299 L CB -0.192 41.877 42.059 0.017 0.000 0.942 299 L HN 0.563 nan 8.230 nan 0.000 0.452 300 N N -0.783 117.930 118.700 0.022 0.000 2.483 300 N HA 0.127 5.515 4.740 1.081 0.000 0.267 300 N C 0.446 175.974 175.510 0.030 0.000 0.998 300 N CA -0.441 52.623 53.050 0.022 0.000 0.918 300 N CB 1.441 39.938 38.487 0.016 0.000 1.215 300 N HN -0.028 nan 8.380 nan 0.000 0.500 301 c N 2.472 121.094 118.600 0.037 0.000 2.409 301 c HA -0.019 5.199 4.570 1.081 0.000 0.288 301 c C 2.126 176.245 174.090 0.048 0.000 1.395 301 c CA 0.517 56.875 56.329 0.049 0.000 1.792 301 c CB -0.875 41.674 42.510 0.065 0.000 1.847 301 c HN 0.696 nan 8.230 nan 0.000 0.534 302 R N 0.318 120.838 120.500 0.034 0.000 2.240 302 R HA 0.097 5.085 4.340 1.081 0.000 0.203 302 R C 0.484 176.801 176.300 0.028 0.000 1.011 302 R CA 0.661 56.771 56.100 0.017 0.000 1.007 302 R CB 0.049 30.347 30.300 -0.003 0.000 0.911 302 R HN 0.569 nan 8.270 nan 0.000 0.468 303 V N -3.378 116.557 119.914 0.035 0.000 3.007 303 V HA 0.454 5.223 4.120 1.081 0.000 0.311 303 V C -0.007 176.120 176.094 0.054 0.000 1.120 303 V CA -1.305 61.021 62.300 0.044 0.000 0.980 303 V CB 2.136 33.968 31.823 0.015 0.000 1.033 303 V HN -0.299 nan 8.190 nan 0.000 0.429 304 V N 3.009 122.968 119.914 0.076 0.000 2.811 304 V HA 0.243 5.011 4.120 1.081 0.000 0.302 304 V C 0.648 176.768 176.094 0.043 0.000 1.063 304 V CA -0.282 62.058 62.300 0.067 0.000 1.088 304 V CB 0.625 32.505 31.823 0.094 0.000 0.982 304 V HN 0.997 nan 8.190 nan 0.000 0.485 305 N N 2.324 121.046 118.700 0.037 0.000 2.479 305 N HA 0.220 5.609 4.740 1.081 0.000 0.257 305 N C 0.078 175.602 175.510 0.024 0.000 1.232 305 N CA 0.044 53.111 53.050 0.027 0.000 0.920 305 N CB 0.939 39.443 38.487 0.027 0.000 1.105 305 N HN 0.936 nan 8.380 nan 0.000 0.444 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.118 4.470 1.081 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 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517