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 1maa_1_B DATA FIRST_RESID 3 DATA SEQUENCE REDPQLLVRV RGGQLRGIRL KAPGGPVSAF LGIPFAEPPV GSRRFMPPEP DATA SEQUENCE KRPWSGVLDA TTFQNVcYQY VDTLYPGFEG TEMWNPNREL SEDcLYLNVW DATA SEQUENCE TPYPRPASPT PVLIWIYGGG FYSGAASLDV YDGRFLAQVE GAVLVSMNYR DATA SEQUENCE VGTFGFLALP GSREAPGNVG LLDQRLALQW VQENIAAFGG DPMSVTLFGE DATA SEQUENCE SAGAASVGMH ILSLPSRSLF HRAVLQSGTP NGPWATVSAG EARRRATLLA DATA SEQUENCE RLVGcXXXXX XXNDTELIAc LRTRPAQDLV DHEWHVLPQE SIFRFSFVPV DATA SEQUENCE VDGDFLSDTP EALINTGDFQ DLQVLVGVVK DEGSYFLVYG VPGFSKDNES DATA SEQUENCE LISRAQFLAG VRIGVPQASD LAAEAVVLHY TDWLHPEDPT HLRDAMSAVV DATA SEQUENCE GDHNVVcPVA QLAGRLAAQG ARVYAYIFEH RASTLTWPLW MGVPHGYEIE DATA SEQUENCE FIFGLPLDPS LNYTTEERIF AQRLMKYWTN FARTGDPNDP RDRKSPQWPP DATA SEQUENCE YTTAAQQYVS LNLKPLEVRR GLRAQTcAFW NRFLPKLLSA TDT 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.314 176.300 0.023 0.000 0.893 3 R CA 0.000 56.110 56.100 0.017 0.000 0.921 3 R CB 0.000 30.309 30.300 0.015 0.000 0.687 4 E N 1.563 121.779 120.200 0.027 0.000 2.485 4 E HA -0.099 4.251 4.350 0.001 0.000 0.266 4 E C -0.813 175.814 176.600 0.045 0.000 1.090 4 E CA 0.693 57.116 56.400 0.037 0.000 0.987 4 E CB 0.504 30.229 29.700 0.042 0.000 0.974 4 E HN 0.413 nan 8.360 nan 0.000 0.455 5 D N 3.517 123.954 120.400 0.061 0.000 2.316 5 D HA 0.106 4.746 4.640 0.001 0.000 0.245 5 D C -1.725 174.621 176.300 0.076 0.000 1.171 5 D CA -2.088 51.962 54.000 0.083 0.000 0.856 5 D CB 1.155 42.029 40.800 0.124 0.000 1.090 5 D HN 0.221 nan 8.370 nan 0.000 0.476 6 P HA -0.170 nan 4.420 nan 0.000 0.221 6 P C 0.822 178.138 177.300 0.027 0.000 1.145 6 P CA 0.952 64.068 63.100 0.028 0.000 0.795 6 P CB 0.533 32.237 31.700 0.006 0.000 0.775 7 Q N -0.726 119.091 119.800 0.029 0.000 2.389 7 Q HA 0.127 4.468 4.340 0.001 0.000 0.204 7 Q C 1.982 178.092 176.000 0.183 0.000 0.944 7 Q CA 0.711 56.518 55.803 0.008 0.000 0.908 7 Q CB 0.012 28.600 28.738 -0.251 0.000 1.002 7 Q HN 0.436 nan 8.270 nan 0.000 0.493 8 L N -0.257 121.094 121.223 0.212 0.000 2.693 8 L HA 0.265 4.605 4.340 0.001 0.000 0.235 8 L C 0.468 177.541 176.870 0.337 0.000 1.127 8 L CA -0.121 54.892 54.840 0.288 0.000 0.914 8 L CB 0.600 42.729 42.059 0.116 0.000 1.193 8 L HN 0.049 nan 8.230 nan 0.000 0.502 9 L N 2.063 123.410 121.223 0.206 0.000 2.272 9 L HA 0.546 4.887 4.340 0.001 0.000 0.289 9 L C -1.029 175.878 176.870 0.062 0.000 1.032 9 L CA -0.119 54.807 54.840 0.144 0.000 0.810 9 L CB 1.814 43.922 42.059 0.081 0.000 1.205 9 L HN -0.199 nan 8.230 nan 0.000 0.422 10 V N 5.864 125.792 119.914 0.023 0.000 2.709 10 V HA 0.502 4.622 4.120 0.001 0.000 0.308 10 V C -0.082 175.931 176.094 -0.134 0.000 1.062 10 V CA -0.828 61.339 62.300 -0.221 0.000 0.901 10 V CB 2.447 33.844 31.823 -0.710 0.000 1.003 10 V HN 0.711 nan 8.190 nan 0.000 0.425 11 R N 2.540 122.932 120.500 -0.179 0.000 2.294 11 R HA 0.793 5.133 4.340 0.001 0.000 0.319 11 R C -1.477 174.735 176.300 -0.147 0.000 0.984 11 R CA -0.230 55.805 56.100 -0.108 0.000 0.861 11 R CB 1.753 31.993 30.300 -0.100 0.000 1.104 11 R HN 0.558 nan 8.270 nan 0.000 0.451 12 V N 4.326 124.203 119.914 -0.062 0.000 3.001 12 V HA 0.266 4.387 4.120 0.001 0.000 0.314 12 V C 1.130 177.137 176.094 -0.145 0.000 1.099 12 V CA -0.746 61.518 62.300 -0.060 0.000 0.989 12 V CB 2.073 34.024 31.823 0.215 0.000 1.040 12 V HN 0.895 nan 8.190 nan 0.000 0.434 13 R N 2.181 122.573 120.500 -0.180 0.000 2.178 13 R HA -0.207 4.134 4.340 0.001 0.000 0.257 13 R C 1.853 177.997 176.300 -0.259 0.000 1.163 13 R CA 2.080 58.064 56.100 -0.192 0.000 0.981 13 R CB -0.363 29.833 30.300 -0.173 0.000 0.878 13 R HN 0.910 nan 8.270 nan 0.000 0.454 14 G N -1.442 107.147 108.800 -0.351 0.000 2.683 14 G HA2 0.319 4.279 3.960 0.001 0.000 0.213 14 G HA3 0.319 4.279 3.960 0.001 0.000 0.213 14 G C 0.432 174.412 174.900 -1.534 0.000 1.142 14 G CA 0.521 45.164 45.100 -0.762 0.000 0.793 14 G HN 0.593 nan 8.290 nan 0.000 0.534 15 G N -1.275 106.782 108.800 -1.239 0.000 2.351 15 G HA2 0.323 4.284 3.960 0.001 0.000 0.279 15 G HA3 0.323 4.284 3.960 0.001 0.000 0.279 15 G C -1.426 173.369 174.900 -0.176 0.000 1.297 15 G CA -0.861 43.644 45.100 -0.991 0.000 0.886 15 G HN 0.247 nan 8.290 nan 0.000 0.493 16 Q N -0.679 119.216 119.800 0.157 0.000 2.204 16 Q HA 0.733 5.074 4.340 0.001 0.000 0.254 16 Q C -0.817 175.492 176.000 0.514 0.000 0.981 16 Q CA -0.722 55.249 55.803 0.280 0.000 0.897 16 Q CB 2.240 31.073 28.738 0.157 0.000 1.273 16 Q HN 0.832 nan 8.270 nan 0.000 0.464 17 L N -1.891 119.539 121.223 0.346 0.000 2.545 17 L HA 0.615 4.955 4.340 0.001 0.000 0.258 17 L C -1.160 175.878 176.870 0.281 0.000 0.942 17 L CA -1.049 53.984 54.840 0.322 0.000 0.855 17 L CB 1.647 43.941 42.059 0.391 0.000 1.374 17 L HN 0.634 nan 8.230 nan 0.000 0.411 18 R N 0.831 121.465 120.500 0.223 0.000 2.445 18 R HA 0.930 5.270 4.340 0.001 0.000 0.308 18 R C -0.190 176.199 176.300 0.149 0.000 0.961 18 R CA -0.226 55.993 56.100 0.199 0.000 0.862 18 R CB 1.834 32.197 30.300 0.105 0.000 1.144 18 R HN 0.932 nan 8.270 nan 0.000 0.447 19 G N 2.728 111.571 108.800 0.072 0.000 2.773 19 G HA2 0.495 4.456 3.960 0.001 0.000 0.186 19 G HA3 0.495 4.456 3.960 0.001 0.000 0.186 19 G C -0.870 173.837 174.900 -0.322 0.000 1.411 19 G CA -0.873 44.009 45.100 -0.364 0.000 1.054 19 G HN 0.647 nan 8.290 nan 0.000 0.579 20 I N -0.977 119.324 120.570 -0.447 0.000 2.752 20 I HA 0.495 4.665 4.170 0.001 0.000 0.295 20 I C -0.698 175.267 176.117 -0.254 0.000 1.219 20 I CA -1.032 60.104 61.300 -0.274 0.000 1.030 20 I CB 2.321 40.175 38.000 -0.244 0.000 1.259 20 I HN 0.467 nan 8.210 nan 0.000 0.423 21 R N 6.335 126.723 120.500 -0.188 0.000 2.234 21 R HA 0.517 4.857 4.340 0.001 0.000 0.324 21 R C -1.706 174.473 176.300 -0.202 0.000 1.054 21 R CA -0.398 55.567 56.100 -0.224 0.000 0.912 21 R CB 0.751 30.840 30.300 -0.352 0.000 1.030 21 R HN 0.489 nan 8.270 nan 0.000 0.455 22 L N 3.306 124.431 121.223 -0.162 0.000 2.322 22 L HA 0.472 4.812 4.340 0.001 0.000 0.269 22 L C -0.228 176.568 176.870 -0.124 0.000 1.012 22 L CA -0.571 54.195 54.840 -0.124 0.000 0.815 22 L CB 1.625 43.642 42.059 -0.070 0.000 1.295 22 L HN 0.499 nan 8.230 nan 0.000 0.438 23 K N 1.532 121.864 120.400 -0.113 0.000 2.265 23 K HA 0.742 5.062 4.320 0.001 0.000 0.267 23 K C -1.017 175.513 176.600 -0.118 0.000 0.994 23 K CA -0.342 55.882 56.287 -0.105 0.000 0.860 23 K CB 1.597 34.043 32.500 -0.089 0.000 1.099 23 K HN 0.728 nan 8.250 nan 0.000 0.448 24 A N 5.130 127.878 122.820 -0.120 0.000 2.294 24 A HA 0.521 4.841 4.320 0.001 0.000 0.330 24 A C -1.848 175.700 177.584 -0.060 0.000 1.133 24 A CA -1.572 50.364 52.037 -0.169 0.000 0.836 24 A CB 0.602 19.485 19.000 -0.195 0.000 1.190 24 A HN 0.439 nan 8.150 nan 0.000 0.492 25 P HA -0.203 nan 4.420 nan 0.000 0.219 25 P C 1.271 178.587 177.300 0.026 0.000 1.161 25 P CA 2.465 65.595 63.100 0.049 0.000 0.909 25 P CB 0.195 31.967 31.700 0.120 0.000 0.793 26 G N -2.595 106.221 108.800 0.027 0.000 3.189 26 G HA2 0.467 4.427 3.960 0.001 0.000 0.225 26 G HA3 0.467 4.427 3.960 0.001 0.000 0.225 26 G C 0.445 175.354 174.900 0.014 0.000 1.159 26 G CA 0.442 45.556 45.100 0.022 0.000 0.763 26 G HN 0.623 nan 8.290 nan 0.000 0.549 27 G N -0.410 108.390 108.800 -0.000 0.000 2.341 27 G HA2 0.417 4.378 3.960 0.001 0.000 0.293 27 G HA3 0.417 4.378 3.960 0.001 0.000 0.293 27 G C -3.413 171.475 174.900 -0.021 0.000 1.298 27 G CA -0.654 44.446 45.100 -0.000 0.000 0.868 27 G HN 0.035 nan 8.290 nan 0.000 0.540 28 P HA 0.679 nan 4.420 nan 0.000 0.278 28 P C -0.909 176.411 177.300 0.034 0.000 1.258 28 P CA -0.545 62.512 63.100 -0.072 0.000 0.811 28 P CB 2.296 33.870 31.700 -0.209 0.000 1.063 29 V N 0.336 120.265 119.914 0.025 0.000 2.969 29 V HA 0.227 4.348 4.120 0.001 0.000 0.304 29 V C -0.350 175.834 176.094 0.150 0.000 1.192 29 V CA -0.488 61.895 62.300 0.138 0.000 0.962 29 V CB 2.499 34.377 31.823 0.092 0.000 1.045 29 V HN 0.552 nan 8.190 nan 0.000 0.428 30 S N 2.938 118.790 115.700 0.253 0.000 2.554 30 S HA 0.858 5.329 4.470 0.001 0.000 0.278 30 S C -0.140 174.439 174.600 -0.035 0.000 1.242 30 S CA -0.217 58.070 58.200 0.145 0.000 1.051 30 S CB 1.601 65.008 63.200 0.344 0.000 0.986 30 S HN 1.227 nan 8.310 nan 0.000 0.502 31 A N 2.435 124.977 122.820 -0.464 0.000 2.402 31 A HA 0.709 5.029 4.320 0.001 0.000 0.291 31 A C -1.364 175.705 177.584 -0.858 0.000 1.051 31 A CA -0.691 50.993 52.037 -0.587 0.000 0.716 31 A CB 0.478 19.153 19.000 -0.543 0.000 1.223 31 A HN 0.625 nan 8.150 nan 0.000 0.425 32 F N 3.319 123.105 119.950 -0.272 0.000 2.325 32 F HA 0.561 5.089 4.527 0.001 0.000 0.369 32 F C -0.444 175.173 175.800 -0.306 0.000 1.095 32 F CA -0.896 57.014 58.000 -0.149 0.000 1.082 32 F CB 1.299 40.365 39.000 0.111 0.000 1.289 32 F HN 0.237 nan 8.300 nan 0.000 0.462 33 L N 1.964 123.032 121.223 -0.258 0.000 2.325 33 L HA 0.718 5.059 4.340 0.001 0.000 0.278 33 L C 0.872 177.656 176.870 -0.143 0.000 1.023 33 L CA -0.972 53.683 54.840 -0.308 0.000 0.811 33 L CB 1.155 42.858 42.059 -0.594 0.000 1.249 33 L HN 0.785 nan 8.230 nan 0.000 0.431 34 G N 2.944 111.720 108.800 -0.039 0.000 2.198 34 G HA2 -0.237 3.724 3.960 0.001 0.000 0.257 34 G HA3 -0.237 3.724 3.960 0.001 0.000 0.257 34 G C 0.127 175.076 174.900 0.081 0.000 1.042 34 G CA -0.131 44.955 45.100 -0.024 0.000 0.791 34 G HN 0.474 nan 8.290 nan 0.000 0.502 35 I N 2.062 122.690 120.570 0.096 0.000 2.452 35 I HA 0.237 4.408 4.170 0.001 0.000 0.287 35 I C -1.444 174.743 176.117 0.116 0.000 1.079 35 I CA -2.026 59.320 61.300 0.077 0.000 1.387 35 I CB 0.939 38.948 38.000 0.015 0.000 1.404 35 I HN -0.019 nan 8.210 nan 0.000 0.522 36 P HA 0.079 nan 4.420 nan 0.000 0.281 36 P C -0.267 177.006 177.300 -0.045 0.000 1.252 36 P CA -0.114 62.893 63.100 -0.155 0.000 0.778 36 P CB 0.648 32.239 31.700 -0.182 0.000 0.895 37 F N 1.153 120.975 119.950 -0.214 0.000 2.682 37 F HA 0.740 5.268 4.527 0.001 0.000 0.308 37 F C 0.062 175.883 175.800 0.035 0.000 1.093 37 F CA -0.820 57.127 58.000 -0.088 0.000 1.244 37 F CB 0.218 39.032 39.000 -0.310 0.000 1.052 37 F HN 0.344 nan 8.300 nan 0.000 0.573 38 A N 0.006 122.560 122.820 -0.445 0.000 2.606 38 A HA 0.554 4.874 4.320 0.001 0.000 0.293 38 A C -1.063 176.354 177.584 -0.279 0.000 1.082 38 A CA -0.787 51.069 52.037 -0.302 0.000 0.685 38 A CB 1.047 19.786 19.000 -0.435 0.000 1.284 38 A HN 0.063 nan 8.150 nan 0.000 0.408 39 E N 2.519 122.639 120.200 -0.134 0.000 2.316 39 E HA 0.258 4.608 4.350 0.001 0.000 0.275 39 E C -2.224 174.286 176.600 -0.149 0.000 1.029 39 E CA -1.543 54.796 56.400 -0.100 0.000 0.871 39 E CB 0.596 30.278 29.700 -0.030 0.000 1.022 39 E HN 0.391 nan 8.360 nan 0.000 0.418 40 P HA -0.059 nan 4.420 nan 0.000 0.253 40 P C -2.260 174.977 177.300 -0.106 0.000 1.159 40 P CA -0.671 62.343 63.100 -0.142 0.000 0.779 40 P CB -0.368 31.283 31.700 -0.081 0.000 0.745 41 P HA -0.010 nan 4.420 nan 0.000 0.232 41 P C 0.251 177.490 177.300 -0.101 0.000 1.738 41 P CA 0.168 63.213 63.100 -0.092 0.000 0.948 41 P CB -0.246 31.403 31.700 -0.085 0.000 1.943 42 V N -3.147 116.713 119.914 -0.090 0.000 3.096 42 V HA 0.874 4.994 4.120 0.001 0.000 0.319 42 V C 1.120 177.164 176.094 -0.084 0.000 1.103 42 V CA 0.091 62.333 62.300 -0.096 0.000 1.016 42 V CB 0.764 32.541 31.823 -0.077 0.000 1.090 42 V HN 0.495 nan 8.190 nan 0.000 0.449 43 G N 2.290 111.037 108.800 -0.088 0.000 2.634 43 G HA2 -0.376 3.584 3.960 0.001 0.000 0.318 43 G HA3 -0.376 3.584 3.960 0.001 0.000 0.318 43 G C 1.255 176.113 174.900 -0.070 0.000 1.207 43 G CA 1.953 47.013 45.100 -0.067 0.000 0.987 43 G HN 2.347 nan 8.290 nan 0.000 0.547 44 S N 0.233 115.909 115.700 -0.040 0.000 2.561 44 S HA 0.177 4.648 4.470 0.001 0.000 0.225 44 S C 1.869 176.455 174.600 -0.023 0.000 0.977 44 S CA 1.287 59.474 58.200 -0.021 0.000 0.926 44 S CB 0.200 63.399 63.200 -0.002 0.000 0.769 44 S HN 0.530 nan 8.310 nan 0.000 0.533 45 R N 1.393 121.866 120.500 -0.045 0.000 2.310 45 R HA 0.261 4.602 4.340 0.001 0.000 0.202 45 R C 0.676 176.931 176.300 -0.076 0.000 0.933 45 R CA -0.107 55.968 56.100 -0.040 0.000 1.054 45 R CB -0.378 29.896 30.300 -0.043 0.000 0.985 45 R HN 0.488 nan 8.270 nan 0.000 0.489 46 R N 0.501 120.906 120.500 -0.158 0.000 2.489 46 R HA -0.078 4.263 4.340 0.001 0.000 0.287 46 R C -0.101 175.999 176.300 -0.333 0.000 1.053 46 R CA 0.392 56.269 56.100 -0.371 0.000 1.036 46 R CB 0.128 30.063 30.300 -0.609 0.000 0.966 46 R HN 0.042 nan 8.270 nan 0.000 0.432 47 F N -0.704 119.262 119.950 0.027 0.000 2.571 47 F HA -0.303 4.224 4.527 0.001 0.000 0.515 47 F C 0.283 176.077 175.800 -0.010 0.000 0.532 47 F CA 0.560 58.554 58.000 -0.010 0.000 1.158 47 F CB -1.412 37.574 39.000 -0.024 0.000 1.848 47 F HN 0.456 nan 8.300 nan 0.000 0.266 48 M N 1.514 121.192 119.600 0.131 0.000 2.228 48 M HA 0.326 4.806 4.480 0.001 0.000 0.326 48 M C -1.765 174.570 176.300 0.057 0.000 1.122 48 M CA -1.388 53.963 55.300 0.085 0.000 1.161 48 M CB -0.035 32.598 32.600 0.055 0.000 1.437 48 M HN -0.281 nan 8.290 nan 0.000 0.465 49 P HA 0.190 nan 4.420 nan 0.000 0.272 49 P C -2.439 174.891 177.300 0.049 0.000 1.240 49 P CA -0.708 62.427 63.100 0.058 0.000 0.791 49 P CB -0.395 31.348 31.700 0.072 0.000 0.978 50 P HA 0.124 nan 4.420 nan 0.000 0.280 50 P C -0.809 176.525 177.300 0.058 0.000 1.244 50 P CA -0.120 63.007 63.100 0.045 0.000 0.784 50 P CB 0.704 32.451 31.700 0.077 0.000 0.913 51 E N 3.952 124.172 120.200 0.033 0.000 2.179 51 E HA 0.500 4.850 4.350 0.001 0.000 0.275 51 E C -2.643 173.991 176.600 0.056 0.000 0.945 51 E CA -2.927 53.502 56.400 0.048 0.000 0.792 51 E CB 0.347 30.067 29.700 0.034 0.000 1.125 51 E HN 0.233 nan 8.360 nan 0.000 0.397 52 P HA -0.122 nan 4.420 nan 0.000 0.266 52 P C -0.665 176.707 177.300 0.120 0.000 1.186 52 P CA -0.052 63.129 63.100 0.135 0.000 0.767 52 P CB 0.370 32.156 31.700 0.143 0.000 0.820 53 K N 3.724 124.225 120.400 0.168 0.000 2.436 53 K HA 0.031 4.351 4.320 0.001 0.000 0.282 53 K C 0.040 176.773 176.600 0.221 0.000 1.044 53 K CA 0.441 56.837 56.287 0.181 0.000 1.028 53 K CB -0.153 32.507 32.500 0.267 0.000 0.919 53 K HN 0.248 nan 8.250 nan 0.000 0.474 54 R N 5.185 125.790 120.500 0.175 0.000 2.537 54 R HA 0.125 4.465 4.340 0.001 0.000 0.280 54 R C -1.960 174.472 176.300 0.221 0.000 1.058 54 R CA -1.524 54.667 56.100 0.152 0.000 1.057 54 R CB 0.276 30.643 30.300 0.112 0.000 0.973 54 R HN 0.554 nan 8.270 nan 0.000 0.438 55 P HA -0.094 nan 4.420 nan 0.000 0.266 55 P C -1.296 176.061 177.300 0.095 0.000 1.193 55 P CA 0.313 63.387 63.100 -0.043 0.000 0.770 55 P CB 0.311 31.929 31.700 -0.136 0.000 0.836 56 W N 0.887 122.224 121.300 0.061 0.000 2.820 56 W HA 0.713 5.374 4.660 0.001 0.000 0.350 56 W C -0.947 175.600 176.519 0.047 0.000 1.116 56 W CA -0.912 56.466 57.345 0.055 0.000 1.146 56 W CB 0.274 29.776 29.460 0.069 0.000 1.433 56 W HN 0.355 nan 8.180 nan 0.000 0.561 57 S N 1.235 117.080 115.700 0.240 0.000 2.638 57 S HA 0.899 5.370 4.470 0.001 0.000 0.298 57 S C 0.274 175.030 174.600 0.260 0.000 1.111 57 S CA -0.159 58.124 58.200 0.139 0.000 1.027 57 S CB 1.055 64.308 63.200 0.089 0.000 1.064 57 S HN 2.156 nan 8.310 nan 0.000 0.525 58 G N -0.250 108.656 108.800 0.176 0.000 2.725 58 G HA2 -0.071 3.889 3.960 0.001 0.000 0.220 58 G HA3 -0.071 3.889 3.960 0.001 0.000 0.220 58 G C -0.935 174.125 174.900 0.267 0.000 1.357 58 G CA -0.452 44.756 45.100 0.180 0.000 0.866 58 G HN 1.559 nan 8.290 nan 0.000 0.548 59 V N 1.811 121.845 119.914 0.201 0.000 2.347 59 V HA 0.502 4.622 4.120 0.001 0.000 0.280 59 V C 0.908 177.095 176.094 0.155 0.000 1.021 59 V CA -0.871 61.557 62.300 0.214 0.000 0.847 59 V CB 1.372 33.281 31.823 0.143 0.000 0.990 59 V HN 0.802 nan 8.190 nan 0.000 0.444 60 L N 4.115 125.432 121.223 0.157 0.000 2.416 60 L HA 0.331 4.671 4.340 0.001 0.000 0.272 60 L C 0.177 177.042 176.870 -0.008 0.000 1.161 60 L CA 0.299 55.098 54.840 -0.069 0.000 0.845 60 L CB 1.082 42.919 42.059 -0.370 0.000 1.119 60 L HN 0.785 nan 8.230 nan 0.000 0.464 61 D N 3.951 124.318 120.400 -0.054 0.000 2.422 61 D HA 0.319 4.959 4.640 0.001 0.000 0.227 61 D C 0.252 176.515 176.300 -0.062 0.000 1.190 61 D CA -0.039 53.935 54.000 -0.043 0.000 0.905 61 D CB 0.744 41.508 40.800 -0.061 0.000 1.034 61 D HN 0.582 nan 8.370 nan 0.000 0.507 62 A N 3.263 126.075 122.820 -0.013 0.000 3.012 62 A HA 0.220 4.541 4.320 0.001 0.000 0.295 62 A C 1.315 178.825 177.584 -0.123 0.000 1.338 62 A CA -0.225 51.800 52.037 -0.020 0.000 0.981 62 A CB -0.388 18.704 19.000 0.152 0.000 1.091 62 A HN 0.568 nan 8.150 nan 0.000 0.602 63 T N -4.022 110.437 114.554 -0.158 0.000 3.015 63 T HA 0.203 4.553 4.350 0.001 0.000 0.250 63 T C 0.777 175.317 174.700 -0.266 0.000 1.057 63 T CA 0.800 62.769 62.100 -0.217 0.000 1.066 63 T CB 0.143 68.915 68.868 -0.161 0.000 0.959 63 T HN 0.308 nan 8.240 nan 0.000 0.488 64 T N 0.872 115.283 114.554 -0.238 0.000 2.887 64 T HA 0.598 4.949 4.350 0.001 0.000 0.288 64 T C -1.163 173.400 174.700 -0.228 0.000 1.021 64 T CA -0.936 61.018 62.100 -0.243 0.000 1.000 64 T CB 0.485 69.264 68.868 -0.148 0.000 1.034 64 T HN 0.085 nan 8.240 nan 0.000 0.467 65 F N 3.084 122.959 119.950 -0.126 0.000 2.553 65 F HA 0.290 4.817 4.527 0.001 0.000 0.356 65 F C 1.330 177.028 175.800 -0.170 0.000 1.142 65 F CA 0.041 57.970 58.000 -0.119 0.000 1.322 65 F CB 0.540 39.498 39.000 -0.071 0.000 1.126 65 F HN 0.427 nan 8.300 nan 0.000 0.599 66 Q N 1.208 121.029 119.800 0.035 0.000 2.166 66 Q HA 0.245 4.586 4.340 0.001 0.000 0.226 66 Q C -0.254 175.679 176.000 -0.112 0.000 0.989 66 Q CA -0.902 54.772 55.803 -0.216 0.000 0.966 66 Q CB 0.748 29.079 28.738 -0.678 0.000 1.173 66 Q HN 0.511 nan 8.270 nan 0.000 0.509 67 N N -0.231 118.378 118.700 -0.151 0.000 2.283 67 N HA -0.027 4.713 4.740 0.001 0.000 0.236 67 N C -0.510 174.980 175.510 -0.034 0.000 1.252 67 N CA 0.235 53.240 53.050 -0.075 0.000 0.856 67 N CB 0.299 38.759 38.487 -0.045 0.000 1.099 67 N HN 0.176 nan 8.380 nan 0.000 0.444 68 V N 1.428 121.291 119.914 -0.085 0.000 2.644 68 V HA 0.138 4.258 4.120 0.001 0.000 0.295 68 V C 0.457 176.501 176.094 -0.083 0.000 1.053 68 V CA -0.835 61.405 62.300 -0.100 0.000 0.987 68 V CB 1.441 33.170 31.823 -0.156 0.000 1.006 68 V HN 0.716 nan 8.190 nan 0.000 0.472 69 c N 4.031 122.606 118.600 -0.041 0.000 2.653 69 c HA 0.135 4.706 4.570 0.001 0.000 0.421 69 c C 0.405 174.479 174.090 -0.027 0.000 1.334 69 c CA -0.638 55.687 56.329 -0.007 0.000 1.885 69 c CB -1.082 41.466 42.510 0.064 0.000 2.645 69 c HN 0.714 nan 8.230 nan 0.000 0.601 70 Y N 4.228 124.431 120.300 -0.161 0.000 2.881 70 Y HA 0.152 4.703 4.550 0.001 0.000 0.335 70 Y C 0.824 176.765 175.900 0.069 0.000 1.263 70 Y CA 1.189 59.179 58.100 -0.182 0.000 1.572 70 Y CB 0.038 38.134 38.460 -0.606 0.000 1.237 70 Y HN 0.772 nan 8.280 nan 0.000 0.568 71 Q N 3.699 123.649 119.800 0.250 0.000 2.737 71 Q HA 0.277 4.617 4.340 0.001 0.000 0.307 71 Q C -1.853 174.393 176.000 0.410 0.000 0.905 71 Q CA -1.259 54.782 55.803 0.396 0.000 0.753 71 Q CB 1.418 30.317 28.738 0.267 0.000 1.463 71 Q HN 0.569 nan 8.270 nan 0.000 0.455 72 Y N 0.897 121.434 120.300 0.394 0.000 2.346 72 Y HA 0.495 5.045 4.550 0.001 0.000 0.330 72 Y C -1.109 174.985 175.900 0.324 0.000 1.178 72 Y CA -0.202 58.145 58.100 0.413 0.000 1.331 72 Y CB 1.221 40.052 38.460 0.619 0.000 1.253 72 Y HN 0.420 nan 8.280 nan 0.000 0.529 73 V N 5.915 125.582 119.914 -0.411 0.000 2.417 73 V HA 0.125 4.245 4.120 0.001 0.000 0.291 73 V C -0.666 175.085 176.094 -0.572 0.000 1.024 73 V CA -1.013 61.097 62.300 -0.316 0.000 0.861 73 V CB 1.356 33.078 31.823 -0.168 0.000 0.985 73 V HN 0.763 nan 8.190 nan 0.000 0.436 74 D N 3.628 123.945 120.400 -0.137 0.000 2.367 74 D HA 0.086 4.726 4.640 0.001 0.000 0.255 74 D C 1.245 177.574 176.300 0.047 0.000 1.300 74 D CA 0.258 54.300 54.000 0.070 0.000 0.959 74 D CB 0.921 41.936 40.800 0.358 0.000 1.064 74 D HN 0.756 nan 8.370 nan 0.000 0.509 75 T N 1.099 115.645 114.554 -0.014 0.000 3.186 75 T HA 0.026 4.376 4.350 0.001 0.000 0.257 75 T C 1.652 176.364 174.700 0.021 0.000 1.029 75 T CA -0.465 61.639 62.100 0.007 0.000 0.916 75 T CB -0.149 68.704 68.868 -0.025 0.000 1.041 75 T HN 0.264 nan 8.240 nan 0.000 0.562 76 L N 0.634 121.858 121.223 0.001 0.000 1.970 76 L HA 0.085 4.425 4.340 0.001 0.000 0.212 76 L C 0.079 176.870 176.870 -0.132 0.000 1.071 76 L CA 1.695 56.418 54.840 -0.196 0.000 0.751 76 L CB -0.392 41.364 42.059 -0.506 0.000 0.889 76 L HN 0.374 nan 8.230 nan 0.000 0.432 77 Y N -0.032 120.295 120.300 0.045 0.000 2.747 77 Y HA 0.428 4.978 4.550 0.001 0.000 0.362 77 Y C -2.153 173.784 175.900 0.063 0.000 1.026 77 Y CA -4.075 54.040 58.100 0.025 0.000 1.135 77 Y CB -0.754 37.715 38.460 0.016 0.000 1.175 77 Y HN 0.112 nan 8.280 nan 0.000 0.643 78 P HA 0.044 nan 4.420 nan 0.000 0.257 78 P C 1.037 178.386 177.300 0.082 0.000 1.162 78 P CA 1.950 65.108 63.100 0.096 0.000 0.762 78 P CB 0.464 32.199 31.700 0.058 0.000 0.753 79 G N 2.791 111.628 108.800 0.061 0.000 2.199 79 G HA2 -0.288 3.672 3.960 0.001 0.000 0.254 79 G HA3 -0.288 3.672 3.960 0.001 0.000 0.254 79 G C -0.009 174.925 174.900 0.057 0.000 0.982 79 G CA -0.487 44.632 45.100 0.032 0.000 0.632 79 G HN 0.533 nan 8.290 nan 0.000 0.529 80 F N 2.741 122.637 119.950 -0.091 0.000 2.444 80 F HA 0.526 5.053 4.527 0.001 0.000 0.360 80 F C 1.388 177.085 175.800 -0.171 0.000 1.106 80 F CA -0.465 57.431 58.000 -0.173 0.000 1.170 80 F CB 0.918 39.783 39.000 -0.225 0.000 1.113 80 F HN 0.319 nan 8.300 nan 0.000 0.521 81 E N 4.125 123.950 120.200 -0.624 0.000 2.048 81 E HA -0.220 4.130 4.350 0.001 0.000 0.202 81 E C 2.097 178.206 176.600 -0.817 0.000 1.021 81 E CA 1.786 57.816 56.400 -0.616 0.000 0.825 81 E CB -0.467 28.947 29.700 -0.477 0.000 0.756 81 E HN 0.966 nan 8.360 nan 0.000 0.454 82 G N -0.896 106.984 108.800 -1.533 0.000 2.516 82 G HA2 -0.270 3.691 3.960 0.001 0.000 0.221 82 G HA3 -0.270 3.691 3.960 0.001 0.000 0.221 82 G C 1.521 176.354 174.900 -0.111 0.000 1.107 82 G CA 1.384 45.885 45.100 -0.999 0.000 0.747 82 G HN 0.319 nan 8.290 nan 0.000 0.567 83 T N -0.381 114.000 114.554 -0.289 0.000 3.046 83 T HA 0.073 4.424 4.350 0.001 0.000 0.242 83 T C 2.178 177.038 174.700 0.267 0.000 1.018 83 T CA 0.565 62.881 62.100 0.360 0.000 1.131 83 T CB 0.096 69.237 68.868 0.455 0.000 0.904 83 T HN 0.312 nan 8.240 nan 0.000 0.459 84 E N 2.214 122.417 120.200 0.005 0.000 2.208 84 E HA -0.076 4.274 4.350 0.001 0.000 0.193 84 E C 2.157 178.673 176.600 -0.141 0.000 0.988 84 E CA 0.795 57.175 56.400 -0.034 0.000 0.828 84 E CB -0.415 29.233 29.700 -0.086 0.000 0.763 84 E HN 0.671 nan 8.360 nan 0.000 0.478 85 M N -1.646 117.770 119.600 -0.307 0.000 2.435 85 M HA -0.099 4.382 4.480 0.001 0.000 0.262 85 M C 1.103 177.004 176.300 -0.665 0.000 1.065 85 M CA 1.552 56.517 55.300 -0.559 0.000 1.076 85 M CB -0.567 31.574 32.600 -0.765 0.000 1.403 85 M HN 0.034 nan 8.290 nan 0.000 0.454 86 W N 0.774 122.018 121.300 -0.093 0.000 3.107 86 W HA 0.310 4.971 4.660 0.001 0.000 0.293 86 W C 0.608 177.061 176.519 -0.109 0.000 1.239 86 W CA -0.853 56.423 57.345 -0.115 0.000 1.653 86 W CB -0.153 29.299 29.460 -0.013 0.000 1.068 86 W HN 0.074 nan 8.180 nan 0.000 0.615 87 N N 1.891 120.642 118.700 0.085 0.000 2.444 87 N HA 0.092 4.833 4.740 0.001 0.000 0.255 87 N C -2.429 173.036 175.510 -0.074 0.000 1.255 87 N CA -0.858 52.206 53.050 0.024 0.000 0.933 87 N CB -0.058 38.437 38.487 0.012 0.000 1.143 87 N HN -0.394 nan 8.380 nan 0.000 0.453 88 P HA -0.002 nan 4.420 nan 0.000 0.261 88 P C 0.183 177.396 177.300 -0.145 0.000 1.183 88 P CA 0.161 63.181 63.100 -0.134 0.000 0.761 88 P CB 0.212 31.834 31.700 -0.129 0.000 0.785 89 N N 2.686 121.280 118.700 -0.177 0.000 2.238 89 N HA 0.084 4.825 4.740 0.001 0.000 0.222 89 N C -0.009 175.419 175.510 -0.137 0.000 1.133 89 N CA -0.067 52.886 53.050 -0.162 0.000 0.854 89 N CB 0.357 38.728 38.487 -0.194 0.000 1.041 89 N HN 0.153 nan 8.380 nan 0.000 0.510 90 R N 0.059 120.476 120.500 -0.137 0.000 2.710 90 R HA 0.194 4.535 4.340 0.001 0.000 0.270 90 R C -0.849 175.377 176.300 -0.123 0.000 1.021 90 R CA -0.623 55.409 56.100 -0.112 0.000 0.889 90 R CB 1.279 31.518 30.300 -0.102 0.000 1.243 90 R HN 0.348 nan 8.270 nan 0.000 0.464 91 E N 2.357 122.491 120.200 -0.110 0.000 2.608 91 E HA -0.052 4.299 4.350 0.001 0.000 0.259 91 E C -0.523 175.981 176.600 -0.159 0.000 0.951 91 E CA 0.175 56.502 56.400 -0.121 0.000 0.945 91 E CB 0.522 30.166 29.700 -0.093 0.000 0.916 91 E HN 0.296 nan 8.360 nan 0.000 0.477 92 L N 3.599 124.680 121.223 -0.236 0.000 2.380 92 L HA 0.248 4.589 4.340 0.001 0.000 0.273 92 L C 0.385 177.085 176.870 -0.283 0.000 1.138 92 L CA -0.015 54.597 54.840 -0.380 0.000 0.832 92 L CB 1.206 42.795 42.059 -0.783 0.000 1.124 92 L HN 0.482 nan 8.230 nan 0.000 0.454 93 S N 0.795 116.394 115.700 -0.168 0.000 2.552 93 S HA 0.188 4.659 4.470 0.001 0.000 0.272 93 S C 0.309 174.923 174.600 0.022 0.000 1.150 93 S CA -0.657 57.553 58.200 0.017 0.000 0.849 93 S CB 1.638 64.835 63.200 -0.005 0.000 1.113 93 S HN 0.742 nan 8.310 nan 0.000 0.458 94 E N 0.935 121.131 120.200 -0.007 0.000 2.106 94 E HA -0.105 4.245 4.350 0.001 0.000 0.192 94 E C -0.163 176.386 176.600 -0.084 0.000 0.984 94 E CA 0.697 57.002 56.400 -0.158 0.000 0.806 94 E CB 0.006 29.561 29.700 -0.241 0.000 0.750 94 E HN 0.583 nan 8.360 nan 0.000 0.458 95 D N 0.557 120.937 120.400 -0.033 0.000 2.441 95 D HA -0.042 4.598 4.640 0.001 0.000 0.243 95 D C 0.026 176.397 176.300 0.118 0.000 1.257 95 D CA -0.078 53.928 54.000 0.010 0.000 1.027 95 D CB -0.174 40.655 40.800 0.048 0.000 1.084 95 D HN 0.145 nan 8.370 nan 0.000 0.514 96 c N 2.588 121.223 118.600 0.058 0.000 3.626 96 c HA 0.385 4.956 4.570 0.001 0.000 0.276 96 c C 0.658 174.797 174.090 0.082 0.000 1.694 96 c CA -0.734 55.697 56.329 0.170 0.000 1.785 96 c CB -1.333 41.221 42.510 0.073 0.000 3.152 96 c HN 0.423 nan 8.230 nan 0.000 0.571 97 L N 2.587 123.600 121.223 -0.349 0.000 2.399 97 L HA 0.415 4.755 4.340 0.001 0.000 0.257 97 L C -0.859 175.335 176.870 -1.126 0.000 1.236 97 L CA 0.430 54.864 54.840 -0.676 0.000 1.144 97 L CB -0.615 40.960 42.059 -0.807 0.000 1.379 97 L HN 0.399 nan 8.230 nan 0.000 0.414 98 Y N 1.702 121.976 120.300 -0.043 0.000 2.605 98 Y HA 0.689 5.239 4.550 0.001 0.000 0.343 98 Y C -0.094 176.017 175.900 0.352 0.000 1.036 98 Y CA -1.257 56.904 58.100 0.100 0.000 1.065 98 Y CB 1.884 40.356 38.460 0.019 0.000 1.288 98 Y HN 0.175 nan 8.280 nan 0.000 0.481 99 L N -0.393 121.028 121.223 0.330 0.000 2.341 99 L HA 0.804 5.145 4.340 0.001 0.000 0.254 99 L C -1.456 175.432 176.870 0.030 0.000 1.040 99 L CA -1.078 53.836 54.840 0.122 0.000 0.837 99 L CB 2.021 43.961 42.059 -0.199 0.000 1.425 99 L HN 0.520 nan 8.230 nan 0.000 0.414 100 N N -0.032 118.678 118.700 0.017 0.000 2.260 100 N HA 0.708 5.448 4.740 0.001 0.000 0.293 100 N C -1.550 173.872 175.510 -0.147 0.000 1.058 100 N CA -0.405 52.565 53.050 -0.132 0.000 0.824 100 N CB 2.878 41.278 38.487 -0.145 0.000 1.551 100 N HN 0.516 nan 8.380 nan 0.000 0.475 101 V N 0.927 120.688 119.914 -0.256 0.000 2.680 101 V HA 0.548 4.669 4.120 0.001 0.000 0.309 101 V C -0.838 175.234 176.094 -0.037 0.000 1.052 101 V CA -0.719 61.538 62.300 -0.073 0.000 0.908 101 V CB 2.672 34.310 31.823 -0.308 0.000 1.001 101 V HN 0.574 nan 8.190 nan 0.000 0.431 102 W N 2.526 123.937 121.300 0.185 0.000 2.781 102 W HA 0.638 5.299 4.660 0.001 0.000 0.333 102 W C -0.050 176.590 176.519 0.202 0.000 1.047 102 W CA -0.395 57.063 57.345 0.189 0.000 1.236 102 W CB 2.491 32.033 29.460 0.138 0.000 1.394 102 W HN 0.726 nan 8.180 nan 0.000 0.466 103 T N 0.653 115.473 114.554 0.444 0.000 2.865 103 T HA 0.635 4.985 4.350 0.001 0.000 0.294 103 T C -2.856 172.020 174.700 0.293 0.000 1.119 103 T CA -2.386 59.920 62.100 0.345 0.000 1.007 103 T CB 2.578 71.665 68.868 0.365 0.000 1.225 103 T HN -0.093 nan 8.240 nan 0.000 0.515 104 P HA 0.302 nan 4.420 nan 0.000 0.273 104 P C -1.667 175.768 177.300 0.225 0.000 1.250 104 P CA -0.295 62.919 63.100 0.190 0.000 0.793 104 P CB 0.129 31.908 31.700 0.132 0.000 1.011 105 Y N 1.753 122.105 120.300 0.087 0.000 2.338 105 Y HA 0.431 4.981 4.550 0.001 0.000 0.333 105 Y C -2.386 173.546 175.900 0.054 0.000 0.968 105 Y CA -2.617 55.528 58.100 0.074 0.000 1.123 105 Y CB 0.967 39.456 38.460 0.049 0.000 1.165 105 Y HN 0.301 nan 8.280 nan 0.000 0.452 106 P HA 0.243 nan 4.420 nan 0.000 0.274 106 P C -0.828 176.380 177.300 -0.154 0.000 1.246 106 P CA -0.424 62.383 63.100 -0.489 0.000 0.795 106 P CB 1.119 32.607 31.700 -0.354 0.000 1.006 107 R N 1.370 121.795 120.500 -0.127 0.000 2.585 107 R HA 0.098 4.439 4.340 0.001 0.000 0.275 107 R C -1.499 174.807 176.300 0.010 0.000 1.018 107 R CA -0.776 55.335 56.100 0.019 0.000 1.072 107 R CB -0.575 29.752 30.300 0.045 0.000 0.953 107 R HN 0.470 nan 8.270 nan 0.000 0.419 108 P HA -0.098 nan 4.420 nan 0.000 0.264 108 P C -0.351 176.960 177.300 0.018 0.000 1.183 108 P CA 0.258 63.380 63.100 0.036 0.000 0.763 108 P CB 1.130 32.865 31.700 0.058 0.000 0.807 109 A N 3.332 126.157 122.820 0.008 0.000 1.873 109 A HA -0.043 4.278 4.320 0.001 0.000 0.215 109 A C 1.458 179.043 177.584 0.002 0.000 1.186 109 A CA 1.273 53.310 52.037 -0.000 0.000 0.616 109 A CB -0.717 18.282 19.000 -0.002 0.000 0.823 109 A HN 0.616 nan 8.150 nan 0.000 0.442 110 S N 0.119 115.823 115.700 0.007 0.000 2.541 110 S HA 0.509 4.980 4.470 0.001 0.000 0.283 110 S C -2.894 171.714 174.600 0.012 0.000 1.196 110 S CA -1.751 56.452 58.200 0.006 0.000 1.062 110 S CB 0.608 63.811 63.200 0.004 0.000 1.009 110 S HN 0.073 nan 8.310 nan 0.000 0.502 111 P HA 0.109 nan 4.420 nan 0.000 0.261 111 P C -0.592 176.716 177.300 0.013 0.000 1.203 111 P CA 0.129 63.237 63.100 0.014 0.000 0.767 111 P CB 0.180 31.882 31.700 0.003 0.000 0.785 112 T N 1.919 116.491 114.554 0.030 0.000 2.929 112 T HA 0.523 4.874 4.350 0.001 0.000 0.284 112 T C -2.697 172.019 174.700 0.026 0.000 1.014 112 T CA -3.005 59.111 62.100 0.027 0.000 1.051 112 T CB 0.929 69.823 68.868 0.044 0.000 1.028 112 T HN -0.010 nan 8.240 nan 0.000 0.485 113 P HA 0.221 nan 4.420 nan 0.000 0.264 113 P C -0.544 176.773 177.300 0.029 0.000 1.193 113 P CA -0.326 62.771 63.100 -0.004 0.000 0.763 113 P CB 0.384 32.064 31.700 -0.032 0.000 0.810 114 V N 5.300 125.245 119.914 0.051 0.000 2.644 114 V HA 0.295 4.415 4.120 0.001 0.000 0.295 114 V C 0.466 176.609 176.094 0.081 0.000 1.053 114 V CA -0.329 62.026 62.300 0.091 0.000 0.987 114 V CB 1.003 32.901 31.823 0.125 0.000 1.006 114 V HN 0.375 nan 8.190 nan 0.000 0.472 115 L N 4.869 126.153 121.223 0.100 0.000 2.376 115 L HA 0.581 4.922 4.340 0.001 0.000 0.275 115 L C -0.829 176.212 176.870 0.285 0.000 0.987 115 L CA -0.211 54.668 54.840 0.064 0.000 0.828 115 L CB 1.723 43.697 42.059 -0.140 0.000 1.249 115 L HN 0.489 nan 8.230 nan 0.000 0.409 116 I N 3.053 123.847 120.570 0.373 0.000 2.378 116 I HA 0.255 4.426 4.170 0.001 0.000 0.291 116 I C -0.812 175.678 176.117 0.621 0.000 0.992 116 I CA -0.469 61.085 61.300 0.424 0.000 1.154 116 I CB 1.670 39.795 38.000 0.209 0.000 1.315 116 I HN 0.621 nan 8.210 nan 0.000 0.448 117 W N 8.628 130.139 121.300 0.353 0.000 2.391 117 W HA 0.564 5.225 4.660 0.001 0.000 0.311 117 W C -1.657 174.829 176.519 -0.055 0.000 1.087 117 W CA -0.673 56.647 57.345 -0.043 0.000 1.209 117 W CB 1.282 30.675 29.460 -0.112 0.000 1.273 117 W HN 0.345 nan 8.180 nan 0.000 0.482 118 I N 9.054 128.992 120.570 -1.052 0.000 2.382 118 I HA 0.095 4.265 4.170 0.001 0.000 0.285 118 I C -0.180 175.161 176.117 -1.294 0.000 1.007 118 I CA -1.147 59.648 61.300 -0.841 0.000 1.142 118 I CB 0.661 38.350 38.000 -0.519 0.000 1.289 118 I HN 0.324 nan 8.210 nan 0.000 0.453 119 Y N 4.410 124.241 120.300 -0.781 0.000 2.426 119 Y HA 0.612 5.162 4.550 0.001 0.000 0.344 119 Y C 0.937 176.672 175.900 -0.273 0.000 1.256 119 Y CA -0.635 57.145 58.100 -0.532 0.000 1.451 119 Y CB -0.057 38.321 38.460 -0.136 0.000 1.342 119 Y HN 0.586 nan 8.280 nan 0.000 0.600 120 G N -0.257 108.578 108.800 0.058 0.000 2.504 120 G HA2 0.421 4.382 3.960 0.001 0.000 0.257 120 G HA3 0.421 4.382 3.960 0.001 0.000 0.257 120 G C 0.584 175.414 174.900 -0.117 0.000 1.451 120 G CA -0.747 44.293 45.100 -0.101 0.000 1.059 120 G HN 1.853 nan 8.290 nan 0.000 0.550 121 G N -2.752 105.826 108.800 -0.369 0.000 2.151 121 G HA2 0.336 4.297 3.960 0.001 0.000 0.156 121 G HA3 0.336 4.297 3.960 0.001 0.000 0.156 121 G C 1.207 175.560 174.900 -0.911 0.000 1.017 121 G CA 0.691 45.450 45.100 -0.568 0.000 0.686 121 G HN 2.346 nan 8.290 nan 0.000 0.503 122 G N -0.605 107.681 108.800 -0.857 0.000 2.361 122 G HA2 -0.090 3.871 3.960 0.001 0.000 0.294 122 G HA3 -0.090 3.871 3.960 0.001 0.000 0.294 122 G C 0.953 175.570 174.900 -0.473 0.000 1.004 122 G CA 0.881 45.306 45.100 -1.126 0.000 0.870 122 G HN 1.814 nan 8.290 nan 0.000 0.510 123 F N -3.531 116.307 119.950 -0.187 0.000 2.890 123 F HA -0.350 4.177 4.527 0.001 0.000 0.346 123 F C 1.603 177.494 175.800 0.151 0.000 0.660 123 F CA 2.243 60.243 58.000 0.001 0.000 1.091 123 F CB -2.068 36.766 39.000 -0.278 0.000 1.535 123 F HN 0.844 nan 8.300 nan 0.000 0.314 124 Y N -0.951 119.415 120.300 0.111 0.000 2.445 124 Y HA 0.638 5.188 4.550 0.001 0.000 0.247 124 Y C 0.699 176.729 175.900 0.216 0.000 1.129 124 Y CA 0.275 58.467 58.100 0.152 0.000 1.251 124 Y CB 0.044 38.500 38.460 -0.007 0.000 1.176 124 Y HN 0.110 nan 8.280 nan 0.000 0.522 125 S N -0.895 114.606 115.700 -0.332 0.000 2.643 125 S HA 0.873 5.344 4.470 0.001 0.000 0.270 125 S C -0.295 174.219 174.600 -0.143 0.000 1.166 125 S CA -0.388 57.698 58.200 -0.189 0.000 0.815 125 S CB 1.509 64.535 63.200 -0.290 0.000 1.139 125 S HN 1.322 nan 8.310 nan 0.000 0.472 126 G N -0.514 108.195 108.800 -0.151 0.000 2.355 126 G HA2 0.609 4.569 3.960 0.001 0.000 0.619 126 G HA3 0.609 4.569 3.960 0.001 0.000 0.619 126 G C -0.731 173.670 174.900 -0.832 0.000 1.337 126 G CA -0.168 44.719 45.100 -0.355 0.000 0.993 126 G HN 2.400 nan 8.290 nan 0.000 0.599 127 A N -1.741 120.287 122.820 -1.320 0.000 2.586 127 A HA 0.933 5.254 4.320 0.001 0.000 0.296 127 A C 0.470 177.748 177.584 -0.509 0.000 1.040 127 A CA 0.812 52.260 52.037 -0.982 0.000 0.701 127 A CB 0.522 19.252 19.000 -0.451 0.000 1.277 127 A HN 2.582 nan 8.150 nan 0.000 0.413 128 A N 0.353 123.092 122.820 -0.135 0.000 2.169 128 A HA 0.284 4.604 4.320 0.001 0.000 0.212 128 A C 1.763 179.308 177.584 -0.065 0.000 1.153 128 A CA 1.860 54.036 52.037 0.232 0.000 0.756 128 A CB -0.537 18.712 19.000 0.415 0.000 0.813 128 A HN 1.285 nan 8.150 nan 0.000 0.471 129 S N 0.335 115.770 115.700 -0.442 0.000 2.419 129 S HA 0.016 4.487 4.470 0.001 0.000 0.233 129 S C 0.800 174.944 174.600 -0.761 0.000 1.016 129 S CA 0.186 57.740 58.200 -1.076 0.000 0.974 129 S CB -0.523 62.256 63.200 -0.701 0.000 0.786 129 S HN 0.548 nan 8.310 nan 0.000 0.492 130 L N 2.672 123.596 121.223 -0.499 0.000 2.559 130 L HA -0.014 4.326 4.340 0.001 0.000 0.282 130 L C 1.011 177.553 176.870 -0.547 0.000 1.232 130 L CA -0.260 54.237 54.840 -0.572 0.000 0.885 130 L CB 0.074 41.623 42.059 -0.849 0.000 1.131 130 L HN 0.101 nan 8.230 nan 0.000 0.498 131 D N 1.372 121.494 120.400 -0.463 0.000 2.221 131 D HA -0.133 4.508 4.640 0.001 0.000 0.204 131 D C 1.913 177.946 176.300 -0.445 0.000 0.982 131 D CA 1.004 54.800 54.000 -0.339 0.000 0.857 131 D CB -0.012 40.628 40.800 -0.267 0.000 0.934 131 D HN 0.534 nan 8.370 nan 0.000 0.475 132 V N -1.451 118.043 119.914 -0.700 0.000 3.041 132 V HA -0.117 4.004 4.120 0.001 0.000 0.260 132 V C 0.783 176.260 176.094 -1.030 0.000 1.105 132 V CA 0.800 62.651 62.300 -0.747 0.000 1.125 132 V CB -1.063 30.294 31.823 -0.778 0.000 0.730 132 V HN 0.070 nan 8.190 nan 0.000 0.479 133 Y N 0.570 120.215 120.300 -1.091 0.000 2.811 133 Y HA 0.465 5.016 4.550 0.001 0.000 0.330 133 Y C 0.582 175.866 175.900 -1.026 0.000 1.081 133 Y CA -2.023 55.036 58.100 -1.736 0.000 1.408 133 Y CB -0.989 36.893 38.460 -0.963 0.000 1.235 133 Y HN 0.202 nan 8.280 nan 0.000 0.529 134 D N 0.411 120.461 120.400 -0.584 0.000 2.336 134 D HA 0.121 4.761 4.640 0.001 0.000 0.249 134 D C 1.352 177.416 176.300 -0.394 0.000 1.213 134 D CA 0.256 54.049 54.000 -0.345 0.000 0.870 134 D CB 1.635 42.413 40.800 -0.037 0.000 1.076 134 D HN 0.540 nan 8.370 nan 0.000 0.483 135 G N 4.073 112.041 108.800 -1.386 0.000 2.471 135 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 135 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 135 G C 1.552 176.016 174.900 -0.727 0.000 1.125 135 G CA 0.722 45.144 45.100 -1.131 0.000 0.775 135 G HN 0.610 nan 8.290 nan 0.000 0.548 136 R N -0.410 119.588 120.500 -0.836 0.000 2.133 136 R HA -0.133 4.208 4.340 0.001 0.000 0.247 136 R C 1.921 177.970 176.300 -0.418 0.000 1.151 136 R CA 1.989 57.820 56.100 -0.450 0.000 0.971 136 R CB -0.823 29.198 30.300 -0.466 0.000 0.866 136 R HN 0.374 nan 8.270 nan 0.000 0.447 137 F N 0.231 120.109 119.950 -0.119 0.000 2.187 137 F HA 0.032 4.559 4.527 0.001 0.000 0.295 137 F C 2.120 177.872 175.800 -0.080 0.000 1.091 137 F CA 0.282 58.231 58.000 -0.085 0.000 1.308 137 F CB -0.524 38.414 39.000 -0.103 0.000 1.030 137 F HN -0.058 nan 8.300 nan 0.000 0.487 138 L N 0.522 121.792 121.223 0.079 0.000 2.046 138 L HA -0.125 4.216 4.340 0.001 0.000 0.208 138 L C 2.526 179.406 176.870 0.016 0.000 1.077 138 L CA 1.813 56.653 54.840 -0.000 0.000 0.747 138 L CB -1.641 40.372 42.059 -0.076 0.000 0.896 138 L HN 0.139 nan 8.230 nan 0.000 0.432 139 A N -1.463 121.371 122.820 0.024 0.000 1.858 139 A HA -0.246 4.075 4.320 0.001 0.000 0.216 139 A C 2.266 179.894 177.584 0.073 0.000 1.190 139 A CA 1.709 53.797 52.037 0.084 0.000 0.617 139 A CB -0.587 18.508 19.000 0.158 0.000 0.827 139 A HN 0.481 nan 8.150 nan 0.000 0.443 140 Q N -0.093 119.732 119.800 0.042 0.000 2.016 140 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 140 Q C 2.236 178.261 176.000 0.042 0.000 0.978 140 Q CA 2.107 57.935 55.803 0.041 0.000 0.833 140 Q CB -0.373 28.365 28.738 -0.000 0.000 0.895 140 Q HN 0.421 nan 8.270 nan 0.000 0.427 141 V N 1.257 121.196 119.914 0.042 0.000 2.379 141 V HA -0.137 3.983 4.120 0.001 0.000 0.245 141 V C 1.861 177.969 176.094 0.025 0.000 1.044 141 V CA 1.726 64.047 62.300 0.035 0.000 1.036 141 V CB -0.281 31.564 31.823 0.037 0.000 0.664 141 V HN 0.240 nan 8.190 nan 0.000 0.453 142 E N -0.390 119.824 120.200 0.022 0.000 2.476 142 E HA 0.200 4.550 4.350 0.001 0.000 0.199 142 E C 1.771 178.388 176.600 0.029 0.000 1.021 142 E CA 0.758 57.168 56.400 0.017 0.000 0.907 142 E CB 0.592 30.294 29.700 0.004 0.000 0.974 142 E HN 0.619 nan 8.360 nan 0.000 0.489 143 G N 1.648 110.474 108.800 0.044 0.000 2.155 143 G HA2 -0.325 3.635 3.960 0.001 0.000 0.257 143 G HA3 -0.325 3.635 3.960 0.001 0.000 0.257 143 G C 0.604 175.545 174.900 0.069 0.000 0.983 143 G CA 0.398 45.533 45.100 0.059 0.000 0.676 143 G HN 0.508 nan 8.290 nan 0.000 0.528 144 A N -0.899 121.959 122.820 0.062 0.000 2.386 144 A HA 0.651 4.971 4.320 0.001 0.000 0.246 144 A C 0.520 178.177 177.584 0.122 0.000 1.089 144 A CA 0.478 52.557 52.037 0.069 0.000 0.790 144 A CB 0.968 19.988 19.000 0.034 0.000 1.042 144 A HN 1.148 nan 8.150 nan 0.000 0.497 145 V N 2.227 122.220 119.914 0.131 0.000 2.313 145 V HA 0.341 4.462 4.120 0.001 0.000 0.278 145 V C -0.301 175.916 176.094 0.205 0.000 1.017 145 V CA -0.071 62.338 62.300 0.182 0.000 0.823 145 V CB 0.691 32.608 31.823 0.157 0.000 1.010 145 V HN 0.687 nan 8.190 nan 0.000 0.443 146 L N 6.535 127.937 121.223 0.298 0.000 2.287 146 L HA 0.701 5.042 4.340 0.001 0.000 0.287 146 L C -0.600 176.561 176.870 0.486 0.000 1.022 146 L CA -0.220 54.841 54.840 0.369 0.000 0.814 146 L CB 1.638 43.902 42.059 0.341 0.000 1.217 146 L HN 0.425 nan 8.230 nan 0.000 0.420 147 V N 2.988 123.147 119.914 0.409 0.000 2.667 147 V HA 0.774 4.894 4.120 0.001 0.000 0.308 147 V C -0.299 176.063 176.094 0.448 0.000 1.048 147 V CA -0.474 62.035 62.300 0.348 0.000 0.928 147 V CB 1.870 33.815 31.823 0.202 0.000 1.004 147 V HN 0.830 nan 8.190 nan 0.000 0.444 148 S N 4.728 120.678 115.700 0.417 0.000 2.566 148 S HA 0.788 5.259 4.470 0.001 0.000 0.273 148 S C -0.989 173.804 174.600 0.321 0.000 1.157 148 S CA -0.810 57.671 58.200 0.468 0.000 0.938 148 S CB 2.065 65.688 63.200 0.705 0.000 1.087 148 S HN 0.961 nan 8.310 nan 0.000 0.474 149 M N 1.597 121.352 119.600 0.258 0.000 2.716 149 M HA 0.701 5.181 4.480 0.001 0.000 0.307 149 M C -1.598 174.954 176.300 0.420 0.000 1.223 149 M CA -0.510 54.922 55.300 0.220 0.000 0.871 149 M CB 0.934 33.476 32.600 -0.097 0.000 1.739 149 M HN 0.586 nan 8.290 nan 0.000 0.475 150 N N 1.486 120.472 118.700 0.476 0.000 2.487 150 N HA 0.704 5.444 4.740 0.001 0.000 0.292 150 N C -1.642 174.142 175.510 0.457 0.000 1.108 150 N CA 0.060 53.411 53.050 0.501 0.000 0.956 150 N CB 0.913 39.614 38.487 0.357 0.000 1.176 150 N HN 0.681 nan 8.380 nan 0.000 0.484 151 Y N -1.766 118.727 120.300 0.322 0.000 2.534 151 Y HA 0.562 5.112 4.550 0.001 0.000 0.345 151 Y C -0.102 175.928 175.900 0.216 0.000 1.031 151 Y CA -1.291 56.928 58.100 0.199 0.000 1.022 151 Y CB 0.830 39.324 38.460 0.057 0.000 1.292 151 Y HN 0.215 nan 8.280 nan 0.000 0.459 152 R N 1.728 122.417 120.500 0.314 0.000 2.698 152 R HA 0.471 4.811 4.340 0.001 0.000 0.266 152 R C -0.323 176.202 176.300 0.375 0.000 1.026 152 R CA 0.131 56.377 56.100 0.242 0.000 1.102 152 R CB 0.653 31.041 30.300 0.147 0.000 0.978 152 R HN 0.727 nan 8.270 nan 0.000 0.436 153 V N -0.908 119.246 119.914 0.400 0.000 3.158 153 V HA 0.863 4.984 4.120 0.001 0.000 0.311 153 V C 0.645 177.059 176.094 0.533 0.000 1.181 153 V CA -0.265 62.372 62.300 0.562 0.000 1.054 153 V CB 1.206 33.273 31.823 0.407 0.000 1.085 153 V HN 0.991 nan 8.190 nan 0.000 0.446 154 G N 1.865 110.997 108.800 0.553 0.000 2.578 154 G HA2 -0.277 3.683 3.960 0.001 0.000 0.275 154 G HA3 -0.277 3.683 3.960 0.001 0.000 0.275 154 G C 0.999 175.950 174.900 0.086 0.000 1.271 154 G CA 1.495 46.799 45.100 0.339 0.000 0.941 154 G HN 2.364 nan 8.290 nan 0.000 0.564 155 T N -1.593 112.710 114.554 -0.420 0.000 2.737 155 T HA -0.160 4.191 4.350 0.001 0.000 0.269 155 T C 2.081 176.579 174.700 -0.337 0.000 1.040 155 T CA 2.625 64.272 62.100 -0.754 0.000 1.142 155 T CB -0.385 67.894 68.868 -0.982 0.000 0.861 155 T HN 0.545 nan 8.240 nan 0.000 0.456 156 F N 2.219 122.225 119.950 0.095 0.000 2.134 156 F HA 0.235 4.762 4.527 0.001 0.000 0.299 156 F C 2.762 178.588 175.800 0.045 0.000 1.097 156 F CA 0.881 58.917 58.000 0.060 0.000 1.264 156 F CB -0.984 38.017 39.000 0.001 0.000 1.001 156 F HN 0.372 nan 8.300 nan 0.000 0.479 157 G N -2.601 106.283 108.800 0.141 0.000 2.921 157 G HA2 0.067 4.027 3.960 0.001 0.000 0.213 157 G HA3 0.067 4.027 3.960 0.001 0.000 0.213 157 G C 0.787 175.247 174.900 -0.733 0.000 1.143 157 G CA 0.144 45.103 45.100 -0.235 0.000 0.764 157 G HN 0.328 nan 8.290 nan 0.000 0.542 158 F N -0.671 119.358 119.950 0.131 0.000 2.915 158 F HA 0.415 4.942 4.527 0.001 0.000 0.347 158 F C 0.525 176.393 175.800 0.114 0.000 1.104 158 F CA -0.968 57.089 58.000 0.095 0.000 1.126 158 F CB 0.424 39.488 39.000 0.107 0.000 1.145 158 F HN -0.085 nan 8.300 nan 0.000 0.541 159 L N 2.144 123.444 121.223 0.129 0.000 2.462 159 L HA 0.542 4.882 4.340 0.001 0.000 0.272 159 L C -0.034 176.826 176.870 -0.017 0.000 1.166 159 L CA -0.029 54.834 54.840 0.039 0.000 0.880 159 L CB 0.339 42.134 42.059 -0.439 0.000 1.142 159 L HN 0.114 nan 8.230 nan 0.000 0.473 160 A N 5.590 128.443 122.820 0.056 0.000 2.386 160 A HA 0.724 5.044 4.320 0.001 0.000 0.311 160 A C -1.140 176.428 177.584 -0.027 0.000 1.068 160 A CA -0.575 51.461 52.037 -0.000 0.000 0.743 160 A CB 1.563 20.586 19.000 0.038 0.000 1.258 160 A HN 0.603 nan 8.150 nan 0.000 0.429 161 L N 2.764 123.960 121.223 -0.045 0.000 2.556 161 L HA 0.366 4.706 4.340 0.001 0.000 0.243 161 L C -2.517 174.341 176.870 -0.019 0.000 1.331 161 L CA -1.704 53.113 54.840 -0.039 0.000 0.927 161 L CB 0.767 42.790 42.059 -0.061 0.000 1.219 161 L HN 0.373 nan 8.230 nan 0.000 0.490 162 P HA 0.091 nan 4.420 nan 0.000 0.260 162 P C 1.012 178.313 177.300 0.001 0.000 1.147 162 P CA 1.501 64.601 63.100 -0.000 0.000 0.758 162 P CB 0.480 32.178 31.700 -0.003 0.000 0.744 163 G N 1.738 110.543 108.800 0.009 0.000 2.217 163 G HA2 -0.252 3.708 3.960 0.001 0.000 0.246 163 G HA3 -0.252 3.708 3.960 0.001 0.000 0.246 163 G C 0.448 175.354 174.900 0.010 0.000 0.990 163 G CA 0.288 45.394 45.100 0.010 0.000 0.627 163 G HN 0.828 nan 8.290 nan 0.000 0.522 164 S N -0.593 115.112 115.700 0.008 0.000 2.655 164 S HA 0.715 5.186 4.470 0.001 0.000 0.265 164 S C 1.236 175.849 174.600 0.021 0.000 1.240 164 S CA 0.309 58.516 58.200 0.010 0.000 0.986 164 S CB 1.641 64.842 63.200 0.002 0.000 0.985 164 S HN 0.440 nan 8.310 nan 0.000 0.562 165 R N 0.531 121.046 120.500 0.025 0.000 2.087 165 R HA 0.084 4.424 4.340 0.001 0.000 0.216 165 R C 2.029 178.357 176.300 0.046 0.000 1.114 165 R CA 0.816 56.936 56.100 0.034 0.000 1.002 165 R CB -0.238 30.080 30.300 0.031 0.000 0.903 165 R HN 0.841 nan 8.270 nan 0.000 0.445 166 E N 0.934 121.163 120.200 0.049 0.000 2.418 166 E HA -0.031 4.320 4.350 0.001 0.000 0.197 166 E C 0.102 176.766 176.600 0.107 0.000 1.026 166 E CA 0.737 57.184 56.400 0.078 0.000 0.862 166 E CB 0.442 30.191 29.700 0.080 0.000 0.799 166 E HN 0.227 nan 8.360 nan 0.000 0.518 167 A N 2.071 124.924 122.820 0.056 0.000 3.464 167 A HA 0.280 4.601 4.320 0.001 0.000 0.243 167 A C -2.022 175.567 177.584 0.009 0.000 1.100 167 A CA -0.816 51.236 52.037 0.025 0.000 0.957 167 A CB 0.793 19.721 19.000 -0.119 0.000 1.340 167 A HN -0.037 nan 8.150 nan 0.000 0.645 168 P HA 0.102 nan 4.420 nan 0.000 0.226 168 P C 0.953 178.274 177.300 0.034 0.000 1.153 168 P CA 1.897 65.018 63.100 0.035 0.000 0.777 168 P CB 0.155 31.885 31.700 0.051 0.000 0.794 169 G N 0.742 109.561 108.800 0.032 0.000 2.756 169 G HA2 -0.207 3.753 3.960 0.001 0.000 0.678 169 G HA3 -0.207 3.753 3.960 0.001 0.000 0.678 169 G C 0.004 174.915 174.900 0.017 0.000 1.349 169 G CA -0.238 44.883 45.100 0.035 0.000 0.847 169 G HN 0.157 nan 8.290 nan 0.000 0.548 170 N N -2.334 116.374 118.700 0.013 0.000 2.765 170 N HA -0.306 4.435 4.740 0.001 0.000 0.248 170 N C 2.071 177.468 175.510 -0.187 0.000 1.063 170 N CA 2.577 55.585 53.050 -0.069 0.000 0.862 170 N CB -1.612 36.812 38.487 -0.105 0.000 1.145 170 N HN 1.930 nan 8.380 nan 0.000 0.581 171 V N -2.393 117.408 119.914 -0.187 0.000 2.380 171 V HA -0.139 3.982 4.120 0.001 0.000 0.251 171 V C 2.383 178.363 176.094 -0.190 0.000 1.063 171 V CA 2.534 64.759 62.300 -0.124 0.000 1.055 171 V CB -1.186 30.603 31.823 -0.056 0.000 0.657 171 V HN 0.288 nan 8.190 nan 0.000 0.455 172 G N -0.008 108.482 108.800 -0.517 0.000 2.450 172 G HA2 -0.169 3.791 3.960 0.001 0.000 0.220 172 G HA3 -0.169 3.791 3.960 0.001 0.000 0.220 172 G C 1.592 176.422 174.900 -0.117 0.000 1.130 172 G CA 1.149 46.044 45.100 -0.342 0.000 0.760 172 G HN 0.545 nan 8.290 nan 0.000 0.557 173 L N -0.211 120.908 121.223 -0.174 0.000 2.156 173 L HA 0.116 4.456 4.340 0.001 0.000 0.208 173 L C 2.793 179.746 176.870 0.138 0.000 1.095 173 L CA 0.273 55.026 54.840 -0.146 0.000 0.770 173 L CB -0.160 41.505 42.059 -0.658 0.000 0.914 173 L HN 0.210 nan 8.230 nan 0.000 0.439 174 L N -0.831 120.473 121.223 0.136 0.000 2.093 174 L HA -0.195 4.145 4.340 0.001 0.000 0.208 174 L C 2.163 179.162 176.870 0.215 0.000 1.085 174 L CA 0.865 55.852 54.840 0.245 0.000 0.755 174 L CB -0.660 41.511 42.059 0.187 0.000 0.904 174 L HN 0.256 nan 8.230 nan 0.000 0.435 175 D N 0.246 120.759 120.400 0.188 0.000 2.106 175 D HA -0.224 4.417 4.640 0.001 0.000 0.191 175 D C 2.295 178.755 176.300 0.265 0.000 0.997 175 D CA 1.351 55.530 54.000 0.299 0.000 0.834 175 D CB -0.264 40.720 40.800 0.306 0.000 0.956 175 D HN 0.427 nan 8.370 nan 0.000 0.448 176 Q N 0.094 119.985 119.800 0.152 0.000 2.124 176 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 176 Q C 2.302 178.271 176.000 -0.052 0.000 0.977 176 Q CA 0.938 56.755 55.803 0.024 0.000 0.850 176 Q CB -0.099 28.659 28.738 0.034 0.000 0.901 176 Q HN 0.237 nan 8.270 nan 0.000 0.429 177 R N 1.055 121.590 120.500 0.059 0.000 2.073 177 R HA -0.111 4.229 4.340 0.001 0.000 0.234 177 R C 2.283 178.611 176.300 0.047 0.000 1.134 177 R CA 0.913 57.018 56.100 0.008 0.000 0.952 177 R CB -0.310 30.100 30.300 0.183 0.000 0.850 177 R HN 0.290 nan 8.270 nan 0.000 0.433 178 L N 0.482 121.785 121.223 0.133 0.000 2.043 178 L HA -0.207 4.133 4.340 0.001 0.000 0.212 178 L C 2.464 179.407 176.870 0.120 0.000 1.075 178 L CA 1.725 56.686 54.840 0.201 0.000 0.752 178 L CB -0.486 41.783 42.059 0.352 0.000 0.891 178 L HN 0.403 nan 8.230 nan 0.000 0.432 179 A N -0.580 122.132 122.820 -0.181 0.000 1.902 179 A HA -0.223 4.098 4.320 0.001 0.000 0.217 179 A C 2.031 179.553 177.584 -0.103 0.000 1.181 179 A CA 1.437 53.154 52.037 -0.532 0.000 0.623 179 A CB -0.628 17.842 19.000 -0.883 0.000 0.818 179 A HN 0.378 nan 8.150 nan 0.000 0.443 180 L N -0.263 120.917 121.223 -0.071 0.000 2.083 180 L HA -0.216 4.124 4.340 0.001 0.000 0.209 180 L C 2.706 179.628 176.870 0.088 0.000 1.083 180 L CA 1.995 56.834 54.840 -0.002 0.000 0.752 180 L CB -0.623 41.388 42.059 -0.081 0.000 0.899 180 L HN 0.486 nan 8.230 nan 0.000 0.433 181 Q N -2.537 117.328 119.800 0.107 0.000 2.049 181 Q HA -0.245 4.095 4.340 0.001 0.000 0.198 181 Q C 2.087 178.189 176.000 0.171 0.000 0.971 181 Q CA 1.782 57.658 55.803 0.122 0.000 0.833 181 Q CB -0.450 28.362 28.738 0.122 0.000 0.896 181 Q HN 0.583 nan 8.270 nan 0.000 0.434 182 W N 0.936 122.258 121.300 0.038 0.000 2.304 182 W HA -0.295 4.365 4.660 0.001 0.000 0.315 182 W C 1.910 178.465 176.519 0.060 0.000 1.233 182 W CA 1.607 58.995 57.345 0.070 0.000 1.261 182 W CB -0.214 29.295 29.460 0.083 0.000 1.150 182 W HN -0.121 nan 8.180 nan 0.000 0.494 183 V N 0.652 120.862 119.914 0.493 0.000 2.255 183 V HA -0.419 3.701 4.120 0.001 0.000 0.247 183 V C 2.406 178.573 176.094 0.121 0.000 1.051 183 V CA 2.492 64.999 62.300 0.345 0.000 1.018 183 V CB -1.333 30.647 31.823 0.261 0.000 0.641 183 V HN 0.404 nan 8.190 nan 0.000 0.445 184 Q N -0.167 119.695 119.800 0.103 0.000 2.062 184 Q HA -0.287 4.054 4.340 0.001 0.000 0.209 184 Q C 2.090 178.089 176.000 -0.003 0.000 0.996 184 Q CA 2.610 58.448 55.803 0.059 0.000 0.859 184 Q CB -0.087 28.683 28.738 0.053 0.000 0.920 184 Q HN 0.801 nan 8.270 nan 0.000 0.415 185 E N 0.136 120.300 120.200 -0.060 0.000 1.994 185 E HA -0.132 4.219 4.350 0.001 0.000 0.197 185 E C 1.882 178.366 176.600 -0.193 0.000 0.982 185 E CA 0.955 57.277 56.400 -0.131 0.000 0.855 185 E CB -0.320 29.269 29.700 -0.184 0.000 0.806 185 E HN 0.428 nan 8.360 nan 0.000 0.495 186 N N 0.944 119.399 118.700 -0.407 0.000 2.348 186 N HA -0.160 4.581 4.740 0.001 0.000 0.185 186 N C 1.829 177.263 175.510 -0.127 0.000 1.019 186 N CA 0.630 53.400 53.050 -0.467 0.000 0.880 186 N CB -0.197 37.569 38.487 -1.201 0.000 0.965 186 N HN 0.109 nan 8.380 nan 0.000 0.437 187 I N 1.607 122.170 120.570 -0.012 0.000 2.530 187 I HA -0.181 3.989 4.170 0.001 0.000 0.257 187 I C 2.095 178.329 176.117 0.194 0.000 1.179 187 I CA 0.317 61.727 61.300 0.185 0.000 1.440 187 I CB -0.305 37.790 38.000 0.159 0.000 1.087 187 I HN 0.060 nan 8.210 nan 0.000 0.440 188 A N 0.192 123.058 122.820 0.078 0.000 1.933 188 A HA -0.092 4.229 4.320 0.001 0.000 0.218 188 A C 2.510 180.103 177.584 0.015 0.000 1.175 188 A CA 1.468 53.529 52.037 0.040 0.000 0.628 188 A CB -1.070 17.925 19.000 -0.007 0.000 0.814 188 A HN 0.461 nan 8.150 nan 0.000 0.444 189 A N -1.229 121.569 122.820 -0.037 0.000 2.024 189 A HA -0.033 4.287 4.320 0.001 0.000 0.220 189 A C 1.650 179.033 177.584 -0.334 0.000 1.164 189 A CA 1.513 53.411 52.037 -0.233 0.000 0.643 189 A CB -0.689 18.062 19.000 -0.415 0.000 0.806 189 A HN 0.522 nan 8.150 nan 0.000 0.451 190 F N -1.688 118.201 119.950 -0.102 0.000 2.749 190 F HA 0.391 4.918 4.527 0.001 0.000 0.300 190 F C 1.811 177.595 175.800 -0.027 0.000 1.103 190 F CA 0.558 58.490 58.000 -0.112 0.000 1.342 190 F CB 0.287 39.211 39.000 -0.127 0.000 1.098 190 F HN 0.340 nan 8.300 nan 0.000 0.586 191 G N 0.036 108.917 108.800 0.135 0.000 2.163 191 G HA2 -0.138 3.823 3.960 0.001 0.000 0.213 191 G HA3 -0.138 3.823 3.960 0.001 0.000 0.213 191 G C 0.589 175.550 174.900 0.102 0.000 0.991 191 G CA -0.394 44.762 45.100 0.092 0.000 0.653 191 G HN 0.692 nan 8.290 nan 0.000 0.518 192 G N -0.398 108.483 108.800 0.134 0.000 2.476 192 G HA2 0.483 4.444 3.960 0.001 0.000 0.269 192 G HA3 0.483 4.444 3.960 0.001 0.000 0.269 192 G C -0.831 174.114 174.900 0.075 0.000 1.195 192 G CA 0.306 45.473 45.100 0.112 0.000 0.843 192 G HN 0.224 nan 8.290 nan 0.000 0.545 193 D N 1.129 121.561 120.400 0.053 0.000 2.392 193 D HA 0.362 5.002 4.640 0.001 0.000 0.228 193 D C -1.612 174.710 176.300 0.037 0.000 1.074 193 D CA -2.321 51.694 54.000 0.025 0.000 0.838 193 D CB 1.991 42.785 40.800 -0.009 0.000 1.067 193 D HN -0.037 nan 8.370 nan 0.000 0.511 194 P HA -0.011 nan 4.420 nan 0.000 0.225 194 P C 1.005 178.390 177.300 0.141 0.000 1.148 194 P CA 0.955 64.112 63.100 0.095 0.000 0.779 194 P CB 0.105 31.845 31.700 0.067 0.000 0.780 195 M N -2.323 117.288 119.600 0.018 0.000 2.494 195 M HA 0.115 4.596 4.480 0.001 0.000 0.232 195 M C 0.769 176.701 176.300 -0.612 0.000 1.137 195 M CA 0.655 55.872 55.300 -0.139 0.000 1.012 195 M CB 0.135 32.671 32.600 -0.108 0.000 1.567 195 M HN -0.242 nan 8.290 nan 0.000 0.486 196 S N 0.534 116.023 115.700 -0.352 0.000 2.701 196 S HA 0.256 4.726 4.470 0.001 0.000 0.228 196 S C -0.444 174.138 174.600 -0.031 0.000 0.948 196 S CA -0.447 57.554 58.200 -0.332 0.000 1.129 196 S CB 0.312 63.396 63.200 -0.193 0.000 1.352 196 S HN 0.037 nan 8.310 nan 0.000 0.446 197 V N 2.539 122.593 119.914 0.234 0.000 2.488 197 V HA 0.415 4.536 4.120 0.001 0.000 0.277 197 V C 0.380 176.660 176.094 0.310 0.000 1.046 197 V CA 0.155 62.631 62.300 0.294 0.000 0.986 197 V CB 1.290 33.314 31.823 0.335 0.000 0.989 197 V HN 0.479 nan 8.190 nan 0.000 0.475 198 T N 6.796 121.458 114.554 0.181 0.000 2.809 198 T HA 0.559 4.910 4.350 0.001 0.000 0.284 198 T C -0.307 174.488 174.700 0.159 0.000 0.992 198 T CA -0.374 61.819 62.100 0.154 0.000 0.957 198 T CB 0.845 69.741 68.868 0.047 0.000 0.942 198 T HN 0.350 nan 8.240 nan 0.000 0.439 199 L N 4.489 125.792 121.223 0.132 0.000 2.357 199 L HA 0.758 5.099 4.340 0.001 0.000 0.273 199 L C -0.539 176.522 176.870 0.318 0.000 1.080 199 L CA -0.918 53.994 54.840 0.120 0.000 0.803 199 L CB 0.635 42.560 42.059 -0.224 0.000 1.174 199 L HN 0.645 nan 8.230 nan 0.000 0.443 200 F N 0.201 120.177 119.950 0.043 0.000 2.615 200 F HA 0.886 5.414 4.527 0.001 0.000 0.312 200 F C -0.507 175.212 175.800 -0.136 0.000 1.119 200 F CA -1.309 56.755 58.000 0.106 0.000 0.979 200 F CB 1.139 40.342 39.000 0.338 0.000 1.266 200 F HN 0.477 nan 8.300 nan 0.000 0.444 201 G N 1.456 110.085 108.800 -0.285 0.000 2.687 201 G HA2 0.581 4.541 3.960 0.001 0.000 0.291 201 G HA3 0.581 4.541 3.960 0.001 0.000 0.291 201 G C -2.309 172.383 174.900 -0.346 0.000 1.420 201 G CA -0.783 43.831 45.100 -0.811 0.000 0.796 201 G HN 0.821 nan 8.290 nan 0.000 0.485 202 E N -0.259 119.728 120.200 -0.355 0.000 2.331 202 E HA 0.565 4.915 4.350 0.001 0.000 0.275 202 E C 0.357 176.902 176.600 -0.091 0.000 0.895 202 E CA 0.218 56.590 56.400 -0.047 0.000 0.753 202 E CB 2.354 32.135 29.700 0.135 0.000 1.216 202 E HN 0.914 nan 8.360 nan 0.000 0.434 203 S N 2.479 118.203 115.700 0.040 0.000 3.949 203 S HA -0.391 4.079 4.470 0.001 0.000 0.626 203 S C 1.457 176.146 174.600 0.147 0.000 2.168 203 S CA 2.171 60.452 58.200 0.134 0.000 4.124 203 S CB -1.520 61.632 63.200 -0.080 0.000 0.220 203 S HN 1.036 nan 8.310 nan 0.000 0.750 204 A N 1.018 123.791 122.820 -0.077 0.000 2.084 204 A HA 0.109 4.429 4.320 0.001 0.000 0.221 204 A C 2.505 179.843 177.584 -0.409 0.000 1.161 204 A CA 2.542 54.344 52.037 -0.392 0.000 0.653 204 A CB -1.673 16.630 19.000 -1.161 0.000 0.802 204 A HN 1.658 nan 8.150 nan 0.000 0.457 205 G N -0.581 108.029 108.800 -0.317 0.000 2.404 205 G HA2 0.028 3.988 3.960 0.001 0.000 0.215 205 G HA3 0.028 3.988 3.960 0.001 0.000 0.215 205 G C 1.731 176.460 174.900 -0.285 0.000 1.174 205 G CA 1.240 46.105 45.100 -0.390 0.000 0.780 205 G HN 0.791 nan 8.290 nan 0.000 0.537 206 A N 1.018 123.744 122.820 -0.156 0.000 1.969 206 A HA 0.354 4.674 4.320 0.001 0.000 0.218 206 A C 2.773 180.333 177.584 -0.039 0.000 1.169 206 A CA 2.002 54.000 52.037 -0.064 0.000 0.635 206 A CB -0.644 18.375 19.000 0.032 0.000 0.810 206 A HN 0.711 nan 8.150 nan 0.000 0.445 207 A N -0.271 122.555 122.820 0.010 0.000 1.858 207 A HA -0.101 4.219 4.320 0.001 0.000 0.216 207 A C 2.447 180.009 177.584 -0.037 0.000 1.190 207 A CA 2.124 54.158 52.037 -0.004 0.000 0.617 207 A CB -1.012 18.055 19.000 0.112 0.000 0.827 207 A HN 0.449 nan 8.150 nan 0.000 0.443 208 S N -0.449 115.230 115.700 -0.035 0.000 2.370 208 S HA -0.160 4.311 4.470 0.001 0.000 0.226 208 S C 1.902 176.367 174.600 -0.224 0.000 1.033 208 S CA 1.457 59.560 58.200 -0.163 0.000 1.011 208 S CB -0.597 62.464 63.200 -0.231 0.000 0.852 208 S HN 0.340 nan 8.310 nan 0.000 0.457 209 V N 1.692 121.523 119.914 -0.138 0.000 2.255 209 V HA -0.204 3.916 4.120 0.001 0.000 0.247 209 V C 2.676 178.730 176.094 -0.067 0.000 1.051 209 V CA 2.089 64.332 62.300 -0.095 0.000 1.018 209 V CB -1.578 30.188 31.823 -0.095 0.000 0.641 209 V HN 0.596 nan 8.190 nan 0.000 0.445 210 G N -0.999 107.762 108.800 -0.065 0.000 2.469 210 G HA2 -0.366 3.594 3.960 0.001 0.000 0.219 210 G HA3 -0.366 3.594 3.960 0.001 0.000 0.219 210 G C 1.579 176.471 174.900 -0.013 0.000 1.150 210 G CA 1.488 46.562 45.100 -0.044 0.000 0.763 210 G HN 0.405 nan 8.290 nan 0.000 0.561 211 M N -0.103 119.454 119.600 -0.070 0.000 2.149 211 M HA -0.036 4.444 4.480 0.001 0.000 0.261 211 M C 2.119 178.502 176.300 0.138 0.000 1.064 211 M CA 1.455 56.753 55.300 -0.004 0.000 1.102 211 M CB -0.422 32.070 32.600 -0.180 0.000 1.369 211 M HN 0.459 nan 8.290 nan 0.000 0.408 212 H N -1.434 117.769 119.070 0.223 0.000 2.495 212 H HA 0.044 4.600 4.556 0.001 0.000 0.287 212 H C 1.860 177.407 175.328 0.365 0.000 1.033 212 H CA 1.053 57.259 56.048 0.264 0.000 1.307 212 H CB 0.038 29.852 29.762 0.086 0.000 1.401 212 H HN 0.341 nan 8.280 nan 0.000 0.555 213 I N -0.103 120.706 120.570 0.398 0.000 2.406 213 I HA -0.165 4.005 4.170 0.001 0.000 0.249 213 I C 0.914 177.187 176.117 0.261 0.000 1.122 213 I CA 0.619 62.150 61.300 0.386 0.000 1.431 213 I CB 0.164 38.285 38.000 0.201 0.000 1.087 213 I HN 0.228 nan 8.210 nan 0.000 0.424 214 L N -0.166 121.177 121.223 0.201 0.000 2.591 214 L HA 0.144 4.484 4.340 0.001 0.000 0.228 214 L C 0.877 177.811 176.870 0.107 0.000 1.133 214 L CA 0.737 55.682 54.840 0.175 0.000 0.880 214 L CB -0.589 41.552 42.059 0.136 0.000 1.033 214 L HN -0.040 nan 8.230 nan 0.000 0.450 215 S N -0.284 115.458 115.700 0.071 0.000 2.566 215 S HA 0.261 4.731 4.470 0.001 0.000 0.324 215 S C 1.117 175.663 174.600 -0.090 0.000 1.081 215 S CA -0.550 57.572 58.200 -0.130 0.000 1.105 215 S CB 0.662 63.520 63.200 -0.571 0.000 0.981 215 S HN 0.133 nan 8.310 nan 0.000 0.464 216 L N 6.590 127.759 121.223 -0.089 0.000 1.991 216 L HA -0.061 4.280 4.340 0.001 0.000 0.221 216 L C -0.957 175.867 176.870 -0.076 0.000 1.079 216 L CA 2.664 57.462 54.840 -0.069 0.000 0.778 216 L CB -2.037 39.981 42.059 -0.069 0.000 0.893 216 L HN 0.506 nan 8.230 nan 0.000 0.437 217 P HA -0.122 nan 4.420 nan 0.000 0.214 217 P C 1.902 179.181 177.300 -0.035 0.000 1.163 217 P CA 1.832 64.887 63.100 -0.076 0.000 0.889 217 P CB -0.007 31.633 31.700 -0.099 0.000 0.790 218 S N -0.797 114.901 115.700 -0.004 0.000 2.419 218 S HA -0.166 4.304 4.470 0.001 0.000 0.233 218 S C 1.969 176.688 174.600 0.198 0.000 1.016 218 S CA 1.056 59.339 58.200 0.138 0.000 0.974 218 S CB -0.664 62.738 63.200 0.337 0.000 0.786 218 S HN 0.101 nan 8.310 nan 0.000 0.492 219 R N 2.008 122.538 120.500 0.049 0.000 2.193 219 R HA -0.025 4.316 4.340 0.001 0.000 0.229 219 R C 1.484 177.530 176.300 -0.423 0.000 1.110 219 R CA 1.404 57.376 56.100 -0.214 0.000 0.988 219 R CB -0.198 30.029 30.300 -0.121 0.000 0.871 219 R HN 0.427 nan 8.270 nan 0.000 0.458 220 S N -0.947 114.621 115.700 -0.220 0.000 2.622 220 S HA 0.173 4.643 4.470 0.001 0.000 0.236 220 S C 0.867 175.358 174.600 -0.181 0.000 0.956 220 S CA -0.368 57.701 58.200 -0.219 0.000 0.971 220 S CB 0.219 63.344 63.200 -0.124 0.000 0.782 220 S HN 0.288 nan 8.310 nan 0.000 0.468 221 L N 0.487 121.625 121.223 -0.141 0.000 2.966 221 L HA 0.527 4.868 4.340 0.001 0.000 0.262 221 L C -0.287 176.643 176.870 0.099 0.000 1.165 221 L CA -0.382 54.464 54.840 0.008 0.000 0.978 221 L CB 0.287 42.405 42.059 0.098 0.000 1.337 221 L HN 0.528 nan 8.230 nan 0.000 0.563 222 F N -4.037 115.752 119.950 -0.268 0.000 2.779 222 F HA 0.465 4.992 4.527 0.001 0.000 0.316 222 F C 0.285 175.787 175.800 -0.498 0.000 1.164 222 F CA -0.936 56.916 58.000 -0.248 0.000 0.924 222 F CB 0.853 39.833 39.000 -0.033 0.000 1.348 222 F HN -0.125 nan 8.300 nan 0.000 0.467 223 H N -0.954 118.185 119.070 0.115 0.000 3.266 223 H HA 0.431 4.988 4.556 0.001 0.000 0.246 223 H C -0.100 175.267 175.328 0.064 0.000 0.998 223 H CA -0.214 55.817 56.048 -0.028 0.000 1.152 223 H CB 1.130 30.872 29.762 -0.034 0.000 1.466 223 H HN 0.374 nan 8.280 nan 0.000 0.481 224 R N 0.552 121.249 120.500 0.328 0.000 2.888 224 R HA 0.768 5.109 4.340 0.001 0.000 0.264 224 R C -1.280 175.237 176.300 0.361 0.000 1.045 224 R CA -0.692 55.534 56.100 0.209 0.000 0.962 224 R CB 2.875 33.079 30.300 -0.161 0.000 1.210 224 R HN 0.150 nan 8.270 nan 0.000 0.479 225 A N 0.700 123.745 122.820 0.375 0.000 2.594 225 A HA 0.638 4.959 4.320 0.001 0.000 0.295 225 A C -1.597 176.157 177.584 0.283 0.000 1.071 225 A CA -0.601 51.610 52.037 0.289 0.000 0.685 225 A CB 1.908 21.028 19.000 0.200 0.000 1.285 225 A HN 0.306 nan 8.150 nan 0.000 0.405 226 V N 1.553 121.582 119.914 0.191 0.000 2.525 226 V HA 0.513 4.634 4.120 0.001 0.000 0.299 226 V C -1.171 175.007 176.094 0.140 0.000 1.034 226 V CA -0.274 62.082 62.300 0.094 0.000 0.863 226 V CB 1.227 33.101 31.823 0.085 0.000 0.999 226 V HN 0.672 nan 8.190 nan 0.000 0.423 227 L N 5.078 126.356 121.223 0.092 0.000 2.295 227 L HA 0.534 4.874 4.340 0.001 0.000 0.281 227 L C 0.056 177.015 176.870 0.148 0.000 1.018 227 L CA 0.032 54.923 54.840 0.085 0.000 0.841 227 L CB 1.394 43.465 42.059 0.019 0.000 1.218 227 L HN 0.626 nan 8.230 nan 0.000 0.424 228 Q N 1.953 121.891 119.800 0.230 0.000 2.340 228 Q HA 0.414 4.754 4.340 0.001 0.000 0.259 228 Q C 0.119 176.259 176.000 0.234 0.000 0.964 228 Q CA -0.565 55.436 55.803 0.331 0.000 0.900 228 Q CB 1.364 30.382 28.738 0.467 0.000 1.228 228 Q HN 0.627 nan 8.270 nan 0.000 0.449 229 S N 1.161 116.990 115.700 0.215 0.000 3.550 229 S HA -0.164 4.307 4.470 0.001 0.000 0.372 229 S C 0.057 174.847 174.600 0.317 0.000 0.966 229 S CA 0.484 58.840 58.200 0.260 0.000 1.229 229 S CB -1.258 62.155 63.200 0.354 0.000 0.917 229 S HN 0.990 nan 8.310 nan 0.000 0.496 230 G N -0.345 108.597 108.800 0.236 0.000 2.556 230 G HA2 0.651 4.612 3.960 0.001 0.000 0.294 230 G HA3 0.651 4.612 3.960 0.001 0.000 0.294 230 G C -0.898 174.079 174.900 0.128 0.000 1.516 230 G CA 0.120 45.412 45.100 0.319 0.000 0.824 230 G HN 1.020 nan 8.290 nan 0.000 0.535 231 T N -1.320 113.255 114.554 0.035 0.000 2.853 231 T HA 0.754 5.104 4.350 0.001 0.000 0.311 231 T C -2.378 172.171 174.700 -0.252 0.000 1.307 231 T CA -1.201 60.829 62.100 -0.117 0.000 1.019 231 T CB 3.015 71.798 68.868 -0.142 0.000 1.264 231 T HN 0.303 nan 8.240 nan 0.000 0.497 232 P HA 0.000 nan 4.420 nan 0.000 0.218 232 P C 0.256 177.386 177.300 -0.282 0.000 1.152 232 P CA 0.668 63.636 63.100 -0.221 0.000 0.826 232 P CB -0.024 31.598 31.700 -0.131 0.000 0.790 233 N N 0.605 119.158 118.700 -0.245 0.000 2.364 233 N HA 0.328 5.069 4.740 0.001 0.000 0.264 233 N C 0.652 175.946 175.510 -0.360 0.000 1.263 233 N CA 0.402 53.306 53.050 -0.242 0.000 0.959 233 N CB 0.448 38.841 38.487 -0.156 0.000 1.204 233 N HN 0.182 nan 8.380 nan 0.000 0.550 234 G N -1.076 107.530 108.800 -0.323 0.000 2.497 234 G HA2 -0.094 3.867 3.960 0.001 0.000 0.686 234 G HA3 -0.094 3.867 3.960 0.001 0.000 0.686 234 G C -2.145 172.495 174.900 -0.434 0.000 1.288 234 G CA -0.273 44.582 45.100 -0.408 0.000 0.899 234 G HN 0.501 nan 8.290 nan 0.000 0.608 235 P HA 0.014 nan 4.420 nan 0.000 0.223 235 P C 1.518 178.677 177.300 -0.235 0.000 1.151 235 P CA 2.262 65.194 63.100 -0.280 0.000 0.787 235 P CB -0.034 31.477 31.700 -0.315 0.000 0.788 236 W N -1.138 119.983 121.300 -0.298 0.000 2.871 236 W HA 0.514 5.175 4.660 0.001 0.000 0.267 236 W C 1.549 178.060 176.519 -0.014 0.000 1.180 236 W CA 0.433 57.658 57.345 -0.198 0.000 1.463 236 W CB -1.076 28.233 29.460 -0.252 0.000 0.966 236 W HN -0.159 nan 8.180 nan 0.000 0.605 237 A N 2.000 124.306 122.820 -0.856 0.000 2.024 237 A HA -0.021 4.299 4.320 0.001 0.000 0.220 237 A C 1.197 178.569 177.584 -0.354 0.000 1.164 237 A CA 2.220 53.873 52.037 -0.640 0.000 0.643 237 A CB -1.032 17.381 19.000 -0.978 0.000 0.806 237 A HN 0.336 nan 8.150 nan 0.000 0.451 238 T N -3.806 110.563 114.554 -0.307 0.000 2.864 238 T HA 0.598 4.949 4.350 0.001 0.000 0.299 238 T C -0.692 173.896 174.700 -0.185 0.000 1.166 238 T CA -0.155 61.788 62.100 -0.263 0.000 1.007 238 T CB 1.496 70.221 68.868 -0.237 0.000 1.219 238 T HN 0.997 nan 8.240 nan 0.000 0.506 239 V N -1.352 118.465 119.914 -0.163 0.000 2.962 239 V HA 0.905 5.025 4.120 0.001 0.000 0.313 239 V C 0.338 176.373 176.094 -0.100 0.000 1.099 239 V CA -0.779 61.446 62.300 -0.125 0.000 0.971 239 V CB 1.356 33.103 31.823 -0.126 0.000 1.028 239 V HN 1.418 nan 8.190 nan 0.000 0.430 240 S N 2.214 117.864 115.700 -0.084 0.000 2.580 240 S HA 0.499 4.970 4.470 0.001 0.000 0.266 240 S C 1.348 175.914 174.600 -0.057 0.000 1.354 240 S CA 0.222 58.383 58.200 -0.065 0.000 1.008 240 S CB 1.125 64.290 63.200 -0.057 0.000 0.898 240 S HN 2.033 nan 8.310 nan 0.000 0.555 241 A N 1.924 124.718 122.820 -0.042 0.000 1.968 241 A HA 0.225 4.545 4.320 0.001 0.000 0.217 241 A C 2.143 179.707 177.584 -0.033 0.000 1.169 241 A CA 1.255 53.273 52.037 -0.032 0.000 0.638 241 A CB -1.592 17.396 19.000 -0.021 0.000 0.812 241 A HN 1.114 nan 8.150 nan 0.000 0.446 242 G N -0.381 108.398 108.800 -0.036 0.000 2.403 242 G HA2 -0.155 3.805 3.960 0.001 0.000 0.216 242 G HA3 -0.155 3.805 3.960 0.001 0.000 0.216 242 G C 1.466 176.339 174.900 -0.044 0.000 1.154 242 G CA 1.235 46.315 45.100 -0.035 0.000 0.784 242 G HN 0.529 nan 8.290 nan 0.000 0.538 243 E N 1.300 121.466 120.200 -0.056 0.000 2.028 243 E HA 0.057 4.408 4.350 0.001 0.000 0.191 243 E C 2.718 179.264 176.600 -0.091 0.000 0.988 243 E CA 1.430 57.786 56.400 -0.075 0.000 0.799 243 E CB -0.737 28.912 29.700 -0.085 0.000 0.755 243 E HN 0.221 nan 8.360 nan 0.000 0.447 244 A N 1.183 123.953 122.820 -0.083 0.000 1.927 244 A HA -0.288 4.032 4.320 0.001 0.000 0.220 244 A C 2.338 179.894 177.584 -0.047 0.000 1.185 244 A CA 2.253 54.245 52.037 -0.074 0.000 0.639 244 A CB -0.739 18.238 19.000 -0.038 0.000 0.820 244 A HN 0.324 nan 8.150 nan 0.000 0.451 245 R N -1.344 119.133 120.500 -0.038 0.000 2.093 245 R HA -0.058 4.282 4.340 0.001 0.000 0.224 245 R C 2.405 178.688 176.300 -0.029 0.000 1.101 245 R CA 0.897 56.981 56.100 -0.027 0.000 0.979 245 R CB -0.285 30.000 30.300 -0.024 0.000 0.877 245 R HN 0.363 nan 8.270 nan 0.000 0.441 246 R N 1.277 121.752 120.500 -0.042 0.000 2.080 246 R HA -0.119 4.221 4.340 0.001 0.000 0.236 246 R C 2.119 178.394 176.300 -0.041 0.000 1.137 246 R CA 1.929 58.005 56.100 -0.040 0.000 0.943 246 R CB -0.330 29.939 30.300 -0.051 0.000 0.846 246 R HN 0.329 nan 8.270 nan 0.000 0.431 247 R N -0.287 120.165 120.500 -0.081 0.000 2.070 247 R HA -0.077 4.263 4.340 0.001 0.000 0.233 247 R C 2.383 178.696 176.300 0.021 0.000 1.137 247 R CA 1.504 57.534 56.100 -0.117 0.000 0.945 247 R CB -0.558 29.525 30.300 -0.360 0.000 0.845 247 R HN 0.247 nan 8.270 nan 0.000 0.430 248 A N 0.767 123.631 122.820 0.074 0.000 1.908 248 A HA -0.177 4.144 4.320 0.001 0.000 0.218 248 A C 2.228 179.843 177.584 0.050 0.000 1.181 248 A CA 2.134 54.258 52.037 0.144 0.000 0.627 248 A CB -0.918 18.118 19.000 0.059 0.000 0.818 248 A HN 0.338 nan 8.150 nan 0.000 0.445 249 T N -0.062 114.502 114.554 0.018 0.000 2.821 249 T HA -0.096 4.254 4.350 0.001 0.000 0.267 249 T C 1.819 176.533 174.700 0.024 0.000 1.046 249 T CA 1.370 63.474 62.100 0.008 0.000 1.139 249 T CB -0.339 68.528 68.868 -0.002 0.000 0.871 249 T HN 0.344 nan 8.240 nan 0.000 0.454 250 L N 1.395 122.637 121.223 0.032 0.000 1.976 250 L HA 0.100 4.441 4.340 0.001 0.000 0.209 250 L C 2.272 179.183 176.870 0.069 0.000 1.071 250 L CA 1.546 56.411 54.840 0.041 0.000 0.746 250 L CB -1.034 41.044 42.059 0.032 0.000 0.890 250 L HN 0.231 nan 8.230 nan 0.000 0.432 251 L N -0.253 121.037 121.223 0.112 0.000 2.043 251 L HA -0.229 4.111 4.340 0.001 0.000 0.212 251 L C 2.498 179.426 176.870 0.096 0.000 1.075 251 L CA 2.012 56.937 54.840 0.143 0.000 0.752 251 L CB -0.643 41.561 42.059 0.241 0.000 0.891 251 L HN 0.391 nan 8.230 nan 0.000 0.432 252 A N -0.278 122.576 122.820 0.057 0.000 1.883 252 A HA -0.282 4.039 4.320 0.001 0.000 0.217 252 A C 2.507 180.123 177.584 0.054 0.000 1.186 252 A CA 1.984 54.042 52.037 0.035 0.000 0.624 252 A CB -0.749 18.253 19.000 0.005 0.000 0.822 252 A HN 0.531 nan 8.150 nan 0.000 0.444 253 R N -0.362 120.167 120.500 0.049 0.000 2.092 253 R HA -0.017 4.324 4.340 0.001 0.000 0.231 253 R C 1.932 178.269 176.300 0.061 0.000 1.119 253 R CA 1.228 57.356 56.100 0.047 0.000 0.970 253 R CB -0.393 29.928 30.300 0.035 0.000 0.864 253 R HN 0.573 nan 8.270 nan 0.000 0.440 254 L N 0.957 122.223 121.223 0.071 0.000 2.265 254 L HA -0.101 4.239 4.340 0.001 0.000 0.215 254 L C 1.888 178.846 176.870 0.147 0.000 1.117 254 L CA 0.878 55.755 54.840 0.061 0.000 0.782 254 L CB -0.100 41.969 42.059 0.016 0.000 0.914 254 L HN 0.157 nan 8.230 nan 0.000 0.441 255 V N -3.665 116.360 119.914 0.185 0.000 3.271 255 V HA 0.516 4.637 4.120 0.001 0.000 0.327 255 V C 0.990 177.155 176.094 0.118 0.000 1.389 255 V CA 0.226 62.648 62.300 0.204 0.000 1.156 255 V CB -0.190 31.730 31.823 0.162 0.000 1.103 255 V HN 0.421 nan 8.190 nan 0.000 0.453 256 G N -0.414 108.442 108.800 0.093 0.000 2.149 256 G HA2 -0.216 3.744 3.960 0.001 0.000 0.235 256 G HA3 -0.216 3.744 3.960 0.001 0.000 0.235 256 G C 0.058 174.990 174.900 0.053 0.000 1.018 256 G CA 0.042 45.182 45.100 0.067 0.000 0.728 256 G HN 0.755 nan 8.290 nan 0.000 0.508 266 D N 0.653 121.053 120.400 0.000 0.000 2.149 266 D HA -0.136 4.505 4.640 0.001 0.000 0.194 266 D C 1.243 177.544 176.300 0.002 0.000 1.001 266 D CA 1.940 55.937 54.000 -0.005 0.000 0.849 266 D CB 0.221 41.017 40.800 -0.007 0.000 0.939 266 D HN 0.611 nan 8.370 nan 0.000 0.449 267 T N 0.270 114.830 114.554 0.010 0.000 2.674 267 T HA -0.183 4.168 4.350 0.001 0.000 0.265 267 T C 1.763 176.478 174.700 0.024 0.000 1.039 267 T CA 1.449 63.561 62.100 0.020 0.000 1.150 267 T CB -0.289 68.591 68.868 0.020 0.000 0.864 267 T HN 0.339 nan 8.240 nan 0.000 0.427 268 E N 0.680 120.892 120.200 0.020 0.000 2.204 268 E HA -0.112 4.239 4.350 0.001 0.000 0.195 268 E C 2.184 178.798 176.600 0.023 0.000 0.990 268 E CA 0.649 57.062 56.400 0.022 0.000 0.821 268 E CB -0.194 29.517 29.700 0.018 0.000 0.750 268 E HN 0.476 nan 8.360 nan 0.000 0.477 269 L N 0.505 121.737 121.223 0.015 0.000 2.023 269 L HA -0.131 4.209 4.340 0.001 0.000 0.205 269 L C 2.317 179.196 176.870 0.015 0.000 1.073 269 L CA 0.732 55.577 54.840 0.009 0.000 0.745 269 L CB -0.167 41.887 42.059 -0.009 0.000 0.900 269 L HN 0.183 nan 8.230 nan 0.000 0.435 270 I N 0.681 121.258 120.570 0.013 0.000 2.286 270 I HA -0.248 3.923 4.170 0.001 0.000 0.248 270 I C 2.878 179.070 176.117 0.125 0.000 1.115 270 I CA 1.418 62.748 61.300 0.050 0.000 1.392 270 I CB -1.846 36.188 38.000 0.057 0.000 1.065 270 I HN 0.318 nan 8.210 nan 0.000 0.418 271 A N 0.232 123.101 122.820 0.082 0.000 1.902 271 A HA -0.284 4.037 4.320 0.001 0.000 0.217 271 A C 2.684 180.313 177.584 0.074 0.000 1.181 271 A CA 1.945 54.027 52.037 0.075 0.000 0.623 271 A CB -1.316 17.713 19.000 0.049 0.000 0.818 271 A HN 0.563 nan 8.150 nan 0.000 0.443 272 c N -0.485 118.153 118.600 0.064 0.000 2.432 272 c HA -0.003 4.567 4.570 0.001 0.000 0.277 272 c C 2.557 176.695 174.090 0.080 0.000 1.249 272 c CA 1.100 57.464 56.329 0.058 0.000 1.725 272 c CB -1.511 41.026 42.510 0.045 0.000 2.028 272 c HN 0.585 nan 8.230 nan 0.000 0.477 273 L N 0.229 121.518 121.223 0.110 0.000 2.187 273 L HA -0.112 4.229 4.340 0.001 0.000 0.213 273 L C 2.858 179.862 176.870 0.223 0.000 1.100 273 L CA 1.389 56.332 54.840 0.172 0.000 0.765 273 L CB -0.655 41.519 42.059 0.191 0.000 0.904 273 L HN 0.419 nan 8.230 nan 0.000 0.437 274 R N -0.711 119.904 120.500 0.191 0.000 2.276 274 R HA -0.074 4.267 4.340 0.001 0.000 0.203 274 R C 2.138 178.453 176.300 0.024 0.000 1.017 274 R CA 1.434 57.580 56.100 0.077 0.000 1.010 274 R CB -0.114 30.220 30.300 0.056 0.000 0.900 274 R HN 0.454 nan 8.270 nan 0.000 0.469 275 T N -1.703 112.876 114.554 0.040 0.000 3.081 275 T HA 0.119 4.470 4.350 0.001 0.000 0.255 275 T C 0.877 175.586 174.700 0.015 0.000 1.113 275 T CA -0.174 61.938 62.100 0.021 0.000 1.082 275 T CB 0.205 69.089 68.868 0.026 0.000 0.939 275 T HN -0.157 nan 8.240 nan 0.000 0.506 276 R N 2.821 123.337 120.500 0.026 0.000 2.389 276 R HA 0.375 4.715 4.340 0.001 0.000 0.295 276 R C -2.713 173.580 176.300 -0.011 0.000 1.075 276 R CA -2.669 53.439 56.100 0.013 0.000 1.005 276 R CB -0.225 30.090 30.300 0.024 0.000 0.987 276 R HN 0.267 nan 8.270 nan 0.000 0.452 277 P HA -0.027 nan 4.420 nan 0.000 0.265 277 P C 0.339 177.581 177.300 -0.097 0.000 1.193 277 P CA 0.285 63.349 63.100 -0.061 0.000 0.765 277 P CB 0.605 32.281 31.700 -0.041 0.000 0.823 278 A N 3.165 125.852 122.820 -0.221 0.000 1.997 278 A HA -0.290 4.031 4.320 0.001 0.000 0.221 278 A C 2.134 179.563 177.584 -0.258 0.000 1.172 278 A CA 1.980 53.808 52.037 -0.349 0.000 0.645 278 A CB -1.053 17.207 19.000 -1.234 0.000 0.813 278 A HN 0.552 nan 8.150 nan 0.000 0.454 279 Q N -0.287 119.393 119.800 -0.199 0.000 2.172 279 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 279 Q C 1.655 177.658 176.000 0.006 0.000 0.964 279 Q CA 1.602 57.439 55.803 0.056 0.000 0.855 279 Q CB -0.309 28.518 28.738 0.149 0.000 0.918 279 Q HN 0.602 nan 8.270 nan 0.000 0.444 280 D N -0.796 119.561 120.400 -0.071 0.000 2.133 280 D HA -0.172 4.468 4.640 0.001 0.000 0.195 280 D C 1.408 177.545 176.300 -0.271 0.000 0.997 280 D CA 0.946 54.832 54.000 -0.189 0.000 0.840 280 D CB 0.055 40.781 40.800 -0.124 0.000 0.947 280 D HN 0.250 nan 8.370 nan 0.000 0.452 281 L N -0.085 121.065 121.223 -0.121 0.000 2.007 281 L HA -0.097 4.243 4.340 0.001 0.000 0.205 281 L C 2.747 179.584 176.870 -0.054 0.000 1.073 281 L CA 0.844 55.609 54.840 -0.125 0.000 0.744 281 L CB -1.045 40.890 42.059 -0.207 0.000 0.898 281 L HN -0.026 nan 8.230 nan 0.000 0.435 282 V N -0.113 119.855 119.914 0.091 0.000 2.324 282 V HA -0.332 3.788 4.120 0.001 0.000 0.250 282 V C 2.181 178.438 176.094 0.273 0.000 1.060 282 V CA 1.872 64.326 62.300 0.257 0.000 1.042 282 V CB -0.761 31.330 31.823 0.446 0.000 0.650 282 V HN 0.412 nan 8.190 nan 0.000 0.450 283 D N -0.736 119.759 120.400 0.158 0.000 2.149 283 D HA -0.153 4.487 4.640 0.001 0.000 0.198 283 D C 1.950 178.354 176.300 0.173 0.000 0.990 283 D CA 1.664 55.772 54.000 0.180 0.000 0.839 283 D CB -0.296 40.518 40.800 0.023 0.000 0.948 283 D HN 0.675 nan 8.370 nan 0.000 0.460 284 H N -0.647 118.337 119.070 -0.143 0.000 2.586 284 H HA 0.090 4.646 4.556 0.001 0.000 0.273 284 H C 1.683 176.852 175.328 -0.264 0.000 0.997 284 H CA 0.117 55.852 56.048 -0.521 0.000 1.177 284 H CB 0.567 30.176 29.762 -0.256 0.000 1.471 284 H HN 0.264 nan 8.280 nan 0.000 0.538 285 E N 1.002 121.244 120.200 0.071 0.000 2.267 285 E HA -0.207 4.144 4.350 0.001 0.000 0.197 285 E C 0.847 177.480 176.600 0.054 0.000 0.998 285 E CA 1.145 57.608 56.400 0.104 0.000 0.830 285 E CB -0.183 29.501 29.700 -0.027 0.000 0.751 285 E HN 0.538 nan 8.360 nan 0.000 0.491 286 W N 0.393 121.760 121.300 0.112 0.000 2.863 286 W HA 0.183 4.843 4.660 0.001 0.000 0.258 286 W C 1.745 178.407 176.519 0.239 0.000 1.298 286 W CA 0.496 57.922 57.345 0.135 0.000 1.451 286 W CB -0.016 29.494 29.460 0.084 0.000 1.107 286 W HN 0.223 nan 8.180 nan 0.000 0.641 287 H N -0.336 118.892 119.070 0.263 0.000 2.521 287 H HA -0.095 4.461 4.556 0.001 0.000 0.286 287 H C 2.111 177.489 175.328 0.084 0.000 1.034 287 H CA 1.229 57.364 56.048 0.144 0.000 1.278 287 H CB -0.032 29.779 29.762 0.081 0.000 1.386 287 H HN 0.148 nan 8.280 nan 0.000 0.567 288 V N -0.757 119.267 119.914 0.184 0.000 3.129 288 V HA 0.028 4.149 4.120 0.001 0.000 0.259 288 V C 0.981 177.066 176.094 -0.016 0.000 1.116 288 V CA 0.193 62.522 62.300 0.048 0.000 1.127 288 V CB -0.593 31.209 31.823 -0.034 0.000 0.742 288 V HN 0.137 nan 8.190 nan 0.000 0.474 289 L N 2.220 123.453 121.223 0.017 0.000 2.543 289 L HA 0.107 4.448 4.340 0.001 0.000 0.285 289 L C -0.245 176.628 176.870 0.005 0.000 1.236 289 L CA -0.528 54.311 54.840 -0.002 0.000 0.871 289 L CB 0.305 42.401 42.059 0.061 0.000 1.121 289 L HN 0.205 nan 8.230 nan 0.000 0.501 290 P HA -0.031 nan 4.420 nan 0.000 0.226 290 P C -0.221 177.079 177.300 -0.000 0.000 1.161 290 P CA 0.854 63.946 63.100 -0.013 0.000 0.804 290 P CB 0.690 32.373 31.700 -0.030 0.000 0.829 291 Q N -0.920 118.883 119.800 0.006 0.000 2.456 291 Q HA 0.324 4.664 4.340 0.001 0.000 0.284 291 Q C -0.818 175.198 176.000 0.026 0.000 1.061 291 Q CA -0.740 55.071 55.803 0.013 0.000 0.799 291 Q CB 1.744 30.486 28.738 0.008 0.000 1.445 291 Q HN -0.083 nan 8.270 nan 0.000 0.411 292 E N 1.501 121.717 120.200 0.027 0.000 2.238 292 E HA 0.180 4.531 4.350 0.001 0.000 0.264 292 E C -0.963 175.659 176.600 0.036 0.000 1.136 292 E CA 0.069 56.490 56.400 0.034 0.000 0.929 292 E CB 0.191 29.909 29.700 0.029 0.000 1.010 292 E HN 0.577 nan 8.360 nan 0.000 0.440 293 S N 3.806 119.533 115.700 0.045 0.000 2.720 293 S HA 0.759 5.229 4.470 0.001 0.000 0.287 293 S C -0.435 174.197 174.600 0.054 0.000 1.168 293 S CA -1.017 57.206 58.200 0.039 0.000 0.832 293 S CB 1.061 64.271 63.200 0.017 0.000 1.166 293 S HN 0.510 nan 8.310 nan 0.000 0.493 294 I N -3.826 116.770 120.570 0.043 0.000 2.827 294 I HA 0.770 4.941 4.170 0.001 0.000 0.298 294 I C -0.584 175.544 176.117 0.018 0.000 1.235 294 I CA -1.087 60.256 61.300 0.073 0.000 1.021 294 I CB 1.701 39.779 38.000 0.130 0.000 1.259 294 I HN 0.771 nan 8.210 nan 0.000 0.427 295 F N 2.084 121.886 119.950 -0.246 0.000 3.080 295 F HA -0.190 4.337 4.527 0.001 0.000 0.292 295 F C -0.293 174.969 175.800 -0.898 0.000 0.891 295 F CA 0.728 58.326 58.000 -0.670 0.000 1.086 295 F CB -0.895 37.574 39.000 -0.886 0.000 1.095 295 F HN 0.803 nan 8.300 nan 0.000 0.633 296 R N 1.058 121.173 120.500 -0.641 0.000 2.510 296 R HA 0.575 4.916 4.340 0.001 0.000 0.294 296 R C -1.303 174.675 176.300 -0.538 0.000 1.056 296 R CA -0.346 55.435 56.100 -0.531 0.000 0.918 296 R CB 0.760 30.950 30.300 -0.184 0.000 1.187 296 R HN -0.035 nan 8.270 nan 0.000 0.437 297 F N 1.239 121.265 119.950 0.127 0.000 2.450 297 F HA 0.422 4.949 4.527 0.001 0.000 0.332 297 F C 1.530 177.244 175.800 -0.143 0.000 1.093 297 F CA -0.887 57.099 58.000 -0.023 0.000 1.003 297 F CB 1.873 40.954 39.000 0.135 0.000 1.151 297 F HN 0.424 nan 8.300 nan 0.000 0.474 298 S N 0.905 116.504 115.700 -0.170 0.000 2.351 298 S HA -0.104 4.366 4.470 0.001 0.000 0.220 298 S C 0.174 174.460 174.600 -0.524 0.000 1.035 298 S CA 1.366 59.345 58.200 -0.369 0.000 1.031 298 S CB -0.299 62.664 63.200 -0.395 0.000 0.928 298 S HN 0.382 nan 8.310 nan 0.000 0.433 299 F N 1.449 121.378 119.950 -0.035 0.000 2.366 299 F HA 0.499 5.027 4.527 0.001 0.000 0.366 299 F C 0.064 175.854 175.800 -0.017 0.000 1.096 299 F CA -0.866 57.146 58.000 0.019 0.000 1.060 299 F CB 0.993 40.032 39.000 0.064 0.000 1.282 299 F HN -0.075 nan 8.300 nan 0.000 0.450 300 V N 0.459 120.328 119.914 -0.074 0.000 3.145 300 V HA 0.745 4.865 4.120 0.001 0.000 0.311 300 V C -2.855 172.881 176.094 -0.597 0.000 1.238 300 V CA -3.411 58.544 62.300 -0.575 0.000 1.066 300 V CB 1.720 33.356 31.823 -0.312 0.000 1.144 300 V HN 0.215 nan 8.190 nan 0.000 0.465 301 P HA 0.215 nan 4.420 nan 0.000 0.267 301 P C -0.562 176.584 177.300 -0.257 0.000 1.209 301 P CA 0.426 63.245 63.100 -0.469 0.000 0.763 301 P CB 0.760 32.069 31.700 -0.652 0.000 0.816 302 V N 5.594 125.441 119.914 -0.111 0.000 2.644 302 V HA 0.175 4.295 4.120 0.001 0.000 0.295 302 V C -0.123 175.935 176.094 -0.059 0.000 1.053 302 V CA -0.568 61.687 62.300 -0.075 0.000 0.987 302 V CB 1.557 33.367 31.823 -0.022 0.000 1.006 302 V HN 0.136 nan 8.190 nan 0.000 0.472 303 V N 7.280 127.162 119.914 -0.053 0.000 2.313 303 V HA 0.217 4.338 4.120 0.001 0.000 0.252 303 V C 0.645 176.737 176.094 -0.004 0.000 1.112 303 V CA 0.049 62.333 62.300 -0.027 0.000 0.984 303 V CB 0.351 32.150 31.823 -0.040 0.000 1.157 303 V HN 1.069 nan 8.190 nan 0.000 0.493 304 D N 2.650 123.065 120.400 0.024 0.000 2.350 304 D HA 0.098 4.738 4.640 0.001 0.000 0.213 304 D C 1.529 177.849 176.300 0.032 0.000 1.031 304 D CA 0.669 54.688 54.000 0.031 0.000 0.861 304 D CB 0.290 41.121 40.800 0.052 0.000 0.926 304 D HN 0.682 nan 8.370 nan 0.000 0.520 305 G N 0.727 109.548 108.800 0.035 0.000 2.160 305 G HA2 -0.306 3.654 3.960 0.001 0.000 0.251 305 G HA3 -0.306 3.654 3.960 0.001 0.000 0.251 305 G C 0.294 175.213 174.900 0.032 0.000 1.008 305 G CA 0.720 45.835 45.100 0.025 0.000 0.724 305 G HN 0.534 nan 8.290 nan 0.000 0.514 306 D N -1.682 118.753 120.400 0.058 0.000 3.045 306 D HA 0.176 4.817 4.640 0.001 0.000 0.196 306 D C 1.675 178.017 176.300 0.070 0.000 1.520 306 D CA 0.440 54.474 54.000 0.057 0.000 1.466 306 D CB -0.621 40.223 40.800 0.074 0.000 1.152 306 D HN 0.119 nan 8.370 nan 0.000 0.254 307 F N 1.360 121.317 119.950 0.012 0.000 2.134 307 F HA 0.241 4.769 4.527 0.001 0.000 0.299 307 F C 0.515 176.319 175.800 0.006 0.000 1.097 307 F CA 1.125 59.136 58.000 0.018 0.000 1.264 307 F CB 0.151 39.160 39.000 0.015 0.000 1.001 307 F HN -0.033 nan 8.300 nan 0.000 0.479 308 L N 0.775 122.167 121.223 0.282 0.000 2.295 308 L HA 0.213 4.553 4.340 0.001 0.000 0.281 308 L C 1.424 178.339 176.870 0.075 0.000 1.018 308 L CA -0.226 54.715 54.840 0.167 0.000 0.841 308 L CB 1.447 43.587 42.059 0.134 0.000 1.218 308 L HN 0.064 nan 8.230 nan 0.000 0.424 309 S N 0.863 116.587 115.700 0.039 0.000 2.368 309 S HA -0.084 4.387 4.470 0.001 0.000 0.225 309 S C 0.560 175.167 174.600 0.012 0.000 1.030 309 S CA 0.914 59.124 58.200 0.016 0.000 0.999 309 S CB 0.134 63.334 63.200 0.001 0.000 0.844 309 S HN 0.691 nan 8.310 nan 0.000 0.459 310 D N 0.143 120.551 120.400 0.013 0.000 2.837 310 D HA 0.417 5.058 4.640 0.001 0.000 0.294 310 D C -0.550 175.750 176.300 -0.000 0.000 1.158 310 D CA 0.019 54.021 54.000 0.002 0.000 1.073 310 D CB 1.497 42.296 40.800 -0.001 0.000 1.419 310 D HN 0.306 nan 8.370 nan 0.000 0.584 311 T N -1.645 112.900 114.554 -0.014 0.000 2.868 311 T HA 0.357 4.708 4.350 0.001 0.000 0.292 311 T C -1.914 172.773 174.700 -0.022 0.000 1.028 311 T CA -0.965 61.116 62.100 -0.031 0.000 1.059 311 T CB 1.376 70.218 68.868 -0.044 0.000 0.991 311 T HN 0.069 nan 8.240 nan 0.000 0.531 312 P HA -0.051 nan 4.420 nan 0.000 0.218 312 P C 1.444 178.730 177.300 -0.023 0.000 1.148 312 P CA 0.749 63.828 63.100 -0.035 0.000 0.822 312 P CB 0.131 31.777 31.700 -0.090 0.000 0.784 313 E N -0.197 119.978 120.200 -0.041 0.000 2.031 313 E HA -0.157 4.193 4.350 0.001 0.000 0.193 313 E C 2.017 178.615 176.600 -0.002 0.000 0.994 313 E CA 1.553 57.936 56.400 -0.029 0.000 0.800 313 E CB -1.111 28.563 29.700 -0.044 0.000 0.752 313 E HN 0.021 nan 8.360 nan 0.000 0.447 314 A N 0.329 123.146 122.820 -0.006 0.000 1.851 314 A HA -0.199 4.121 4.320 0.001 0.000 0.216 314 A C 2.075 179.675 177.584 0.026 0.000 1.195 314 A CA 1.737 53.776 52.037 0.003 0.000 0.622 314 A CB -0.965 18.032 19.000 -0.005 0.000 0.831 314 A HN 0.299 nan 8.150 nan 0.000 0.444 315 L N 0.113 121.360 121.223 0.039 0.000 2.043 315 L HA -0.215 4.125 4.340 0.001 0.000 0.212 315 L C 2.462 179.435 176.870 0.172 0.000 1.075 315 L CA 2.163 57.053 54.840 0.083 0.000 0.752 315 L CB -1.020 41.095 42.059 0.093 0.000 0.891 315 L HN 0.709 nan 8.230 nan 0.000 0.432 316 I N -4.361 116.309 120.570 0.166 0.000 3.111 316 I HA -0.052 4.119 4.170 0.001 0.000 0.272 316 I C 1.597 177.848 176.117 0.223 0.000 1.268 316 I CA 0.960 62.416 61.300 0.259 0.000 1.467 316 I CB -0.438 37.623 38.000 0.102 0.000 1.087 316 I HN 0.136 nan 8.210 nan 0.000 0.467 317 N N 0.840 119.610 118.700 0.116 0.000 2.405 317 N HA 0.014 4.755 4.740 0.001 0.000 0.175 317 N C 0.257 175.791 175.510 0.039 0.000 1.051 317 N CA 1.124 54.218 53.050 0.073 0.000 0.899 317 N CB 0.514 39.023 38.487 0.037 0.000 1.000 317 N HN 0.533 nan 8.380 nan 0.000 0.451 318 T N -2.094 112.470 114.554 0.016 0.000 3.542 318 T HA 0.683 5.033 4.350 0.001 0.000 0.276 318 T C -0.160 174.462 174.700 -0.129 0.000 1.412 318 T CA -0.862 61.209 62.100 -0.047 0.000 1.664 318 T CB 0.536 69.383 68.868 -0.034 0.000 0.863 318 T HN 0.048 nan 8.240 nan 0.000 0.661 319 G N 0.250 108.880 108.800 -0.282 0.000 2.690 319 G HA2 0.565 4.525 3.960 0.001 0.000 0.293 319 G HA3 0.565 4.525 3.960 0.001 0.000 0.293 319 G C -2.089 172.261 174.900 -0.916 0.000 1.399 319 G CA -0.819 43.908 45.100 -0.622 0.000 0.890 319 G HN 0.383 nan 8.290 nan 0.000 0.485 320 D N -0.514 119.405 120.400 -0.800 0.000 2.280 320 D HA 0.583 5.224 4.640 0.001 0.000 0.236 320 D C -0.543 175.416 176.300 -0.568 0.000 1.082 320 D CA -0.421 53.253 54.000 -0.544 0.000 0.834 320 D CB 0.688 41.336 40.800 -0.253 0.000 1.100 320 D HN 0.085 nan 8.370 nan 0.000 0.486 321 F N 2.255 122.209 119.950 0.006 0.000 2.841 321 F HA 0.260 4.787 4.527 0.001 0.000 0.358 321 F C 1.505 177.314 175.800 0.015 0.000 1.261 321 F CA -0.423 57.585 58.000 0.013 0.000 1.233 321 F CB 0.269 39.287 39.000 0.030 0.000 1.008 321 F HN 0.364 nan 8.300 nan 0.000 0.507 322 Q N 0.747 120.619 119.800 0.120 0.000 2.172 322 Q HA -0.129 4.211 4.340 0.001 0.000 0.200 322 Q C 1.565 177.610 176.000 0.075 0.000 0.964 322 Q CA 1.677 57.529 55.803 0.083 0.000 0.855 322 Q CB -0.010 28.750 28.738 0.036 0.000 0.918 322 Q HN 0.381 nan 8.270 nan 0.000 0.444 323 D N -0.736 119.703 120.400 0.066 0.000 2.324 323 D HA -0.040 4.601 4.640 0.001 0.000 0.235 323 D C -0.025 176.309 176.300 0.057 0.000 1.095 323 D CA 0.217 54.244 54.000 0.044 0.000 0.871 323 D CB 0.092 40.901 40.800 0.014 0.000 0.906 323 D HN 0.200 nan 8.370 nan 0.000 0.522 324 L N 0.357 121.639 121.223 0.097 0.000 2.329 324 L HA 0.343 4.683 4.340 0.001 0.000 0.279 324 L C -0.729 176.212 176.870 0.118 0.000 1.014 324 L CA -0.703 54.201 54.840 0.107 0.000 0.814 324 L CB 2.014 44.154 42.059 0.135 0.000 1.257 324 L HN -0.218 nan 8.230 nan 0.000 0.424 325 Q N 2.445 122.325 119.800 0.133 0.000 2.330 325 Q HA 0.613 4.954 4.340 0.001 0.000 0.269 325 Q C -1.334 174.884 176.000 0.363 0.000 1.022 325 Q CA -0.344 55.586 55.803 0.212 0.000 0.796 325 Q CB 3.046 31.847 28.738 0.105 0.000 1.271 325 Q HN 0.295 nan 8.270 nan 0.000 0.450 326 V N 3.044 123.179 119.914 0.369 0.000 2.789 326 V HA 0.477 4.597 4.120 0.001 0.000 0.311 326 V C -1.083 175.053 176.094 0.070 0.000 1.073 326 V CA -0.795 61.670 62.300 0.275 0.000 0.921 326 V CB 2.160 34.042 31.823 0.098 0.000 1.009 326 V HN 0.671 nan 8.190 nan 0.000 0.426 327 L N 5.910 126.996 121.223 -0.229 0.000 2.319 327 L HA 0.782 5.123 4.340 0.001 0.000 0.281 327 L C -0.871 175.916 176.870 -0.137 0.000 1.005 327 L CA -0.528 54.042 54.840 -0.449 0.000 0.828 327 L CB 1.554 42.887 42.059 -1.211 0.000 1.227 327 L HN 0.638 nan 8.230 nan 0.000 0.415 328 V N 1.404 121.289 119.914 -0.048 0.000 2.823 328 V HA 1.072 5.192 4.120 0.001 0.000 0.312 328 V C -0.108 175.763 176.094 -0.372 0.000 1.072 328 V CA -0.211 62.026 62.300 -0.104 0.000 0.937 328 V CB 1.366 33.105 31.823 -0.141 0.000 1.013 328 V HN 0.806 nan 8.190 nan 0.000 0.430 329 G N 0.363 108.779 108.800 -0.641 0.000 2.606 329 G HA2 0.722 4.682 3.960 0.001 0.000 0.300 329 G HA3 0.722 4.682 3.960 0.001 0.000 0.300 329 G C -1.759 172.800 174.900 -0.568 0.000 1.360 329 G CA -0.168 44.050 45.100 -1.471 0.000 0.783 329 G HN 1.620 nan 8.290 nan 0.000 0.484 330 V N -0.691 119.025 119.914 -0.329 0.000 3.167 330 V HA 0.656 4.777 4.120 0.001 0.000 0.293 330 V C -0.607 175.673 176.094 0.310 0.000 1.379 330 V CA -0.235 62.111 62.300 0.077 0.000 1.019 330 V CB 1.936 33.750 31.823 -0.016 0.000 1.115 330 V HN 1.601 nan 8.190 nan 0.000 0.442 331 V N 3.029 123.158 119.914 0.359 0.000 2.743 331 V HA 0.530 4.651 4.120 0.001 0.000 0.301 331 V C 1.345 177.620 176.094 0.303 0.000 1.057 331 V CA 0.363 62.924 62.300 0.435 0.000 1.006 331 V CB 1.258 33.360 31.823 0.465 0.000 1.024 331 V HN 1.040 nan 8.190 nan 0.000 0.473 332 K N 1.084 121.650 120.400 0.277 0.000 2.160 332 K HA -0.158 4.162 4.320 0.001 0.000 0.206 332 K C 0.067 176.775 176.600 0.182 0.000 1.047 332 K CA 2.286 58.690 56.287 0.195 0.000 0.930 332 K CB -0.022 32.566 32.500 0.147 0.000 0.720 332 K HN 0.968 nan 8.250 nan 0.000 0.450 333 D N 0.463 120.985 120.400 0.203 0.000 2.613 333 D HA 0.071 4.711 4.640 0.001 0.000 0.312 333 D C -0.059 176.368 176.300 0.211 0.000 1.202 333 D CA -0.239 53.874 54.000 0.188 0.000 0.825 333 D CB 1.297 42.199 40.800 0.171 0.000 1.113 333 D HN 0.067 nan 8.370 nan 0.000 0.502 334 E N 0.451 120.774 120.200 0.205 0.000 2.209 334 E HA -0.124 4.226 4.350 0.001 0.000 0.196 334 E C 2.068 178.826 176.600 0.263 0.000 0.993 334 E CA 0.819 57.353 56.400 0.224 0.000 0.819 334 E CB 0.100 29.886 29.700 0.143 0.000 0.745 334 E HN 0.530 nan 8.360 nan 0.000 0.477 335 G N 1.423 110.350 108.800 0.211 0.000 2.396 335 G HA2 -0.216 3.745 3.960 0.001 0.000 0.214 335 G HA3 -0.216 3.745 3.960 0.001 0.000 0.214 335 G C 1.742 176.847 174.900 0.342 0.000 1.166 335 G CA 1.071 46.320 45.100 0.248 0.000 0.793 335 G HN 0.356 nan 8.290 nan 0.000 0.533 336 S N 0.902 116.749 115.700 0.246 0.000 2.422 336 S HA -0.438 4.033 4.470 0.001 0.000 0.248 336 S C 2.043 176.690 174.600 0.078 0.000 1.069 336 S CA 1.848 60.167 58.200 0.198 0.000 1.214 336 S CB -1.273 61.971 63.200 0.074 0.000 1.122 336 S HN 0.476 nan 8.310 nan 0.000 0.432 337 Y N 2.640 122.790 120.300 -0.249 0.000 2.144 337 Y HA -0.320 4.230 4.550 0.001 0.000 0.277 337 Y C 1.923 177.598 175.900 -0.375 0.000 1.229 337 Y CA 1.909 59.673 58.100 -0.560 0.000 1.144 337 Y CB -0.831 37.164 38.460 -0.776 0.000 0.953 337 Y HN 0.299 nan 8.280 nan 0.000 0.515 338 F N -1.206 118.849 119.950 0.175 0.000 2.367 338 F HA -0.069 4.458 4.527 0.001 0.000 0.298 338 F C 2.094 177.978 175.800 0.141 0.000 1.094 338 F CA 0.698 58.786 58.000 0.147 0.000 1.409 338 F CB -0.702 38.290 39.000 -0.013 0.000 1.064 338 F HN -0.010 nan 8.300 nan 0.000 0.528 339 L N -0.627 120.712 121.223 0.192 0.000 2.042 339 L HA -0.202 4.139 4.340 0.001 0.000 0.210 339 L C 2.389 179.341 176.870 0.136 0.000 1.076 339 L CA 0.741 55.559 54.840 -0.037 0.000 0.749 339 L CB -0.997 40.766 42.059 -0.493 0.000 0.893 339 L HN -0.028 nan 8.230 nan 0.000 0.432 340 V N -1.007 119.031 119.914 0.207 0.000 2.688 340 V HA -0.299 3.821 4.120 0.001 0.000 0.256 340 V C 2.010 178.043 176.094 -0.102 0.000 1.084 340 V CA 1.747 64.128 62.300 0.136 0.000 1.103 340 V CB -0.639 31.216 31.823 0.052 0.000 0.688 340 V HN 0.375 nan 8.190 nan 0.000 0.480 341 Y N -0.395 119.902 120.300 -0.005 0.000 2.517 341 Y HA 0.303 4.853 4.550 0.001 0.000 0.281 341 Y C 2.089 177.987 175.900 -0.004 0.000 1.125 341 Y CA 0.910 58.987 58.100 -0.037 0.000 1.283 341 Y CB 0.308 38.744 38.460 -0.040 0.000 1.042 341 Y HN 0.270 nan 8.280 nan 0.000 0.547 342 G N -1.606 107.294 108.800 0.166 0.000 3.258 342 G HA2 0.142 4.102 3.960 0.001 0.000 0.175 342 G HA3 0.142 4.102 3.960 0.001 0.000 0.175 342 G C -0.757 174.215 174.900 0.120 0.000 1.261 342 G CA -0.141 45.030 45.100 0.119 0.000 0.881 342 G HN -0.066 nan 8.290 nan 0.000 0.851 343 V N 2.999 123.001 119.914 0.147 0.000 2.385 343 V HA 0.331 4.451 4.120 0.001 0.000 0.269 343 V C -2.151 174.143 176.094 0.333 0.000 1.043 343 V CA -1.687 60.730 62.300 0.194 0.000 0.906 343 V CB 1.229 33.116 31.823 0.107 0.000 0.995 343 V HN 0.008 nan 8.190 nan 0.000 0.467 344 P HA 0.256 nan 4.420 nan 0.000 0.264 344 P C 0.970 178.360 177.300 0.150 0.000 1.193 344 P CA 1.184 64.381 63.100 0.163 0.000 0.763 344 P CB 0.625 32.383 31.700 0.097 0.000 0.810 345 G N 1.528 110.348 108.800 0.035 0.000 2.201 345 G HA2 -0.189 3.771 3.960 0.001 0.000 0.212 345 G HA3 -0.189 3.771 3.960 0.001 0.000 0.212 345 G C -0.281 174.335 174.900 -0.474 0.000 0.994 345 G CA -0.648 44.318 45.100 -0.224 0.000 0.644 345 G HN 0.387 nan 8.290 nan 0.000 0.508 346 F N 1.477 121.445 119.950 0.029 0.000 2.444 346 F HA 0.815 5.343 4.527 0.001 0.000 0.342 346 F C 0.455 176.369 175.800 0.190 0.000 1.121 346 F CA -0.512 57.540 58.000 0.087 0.000 0.997 346 F CB 2.385 41.478 39.000 0.155 0.000 1.130 346 F HN 0.098 nan 8.300 nan 0.000 0.454 347 S N 1.534 117.489 115.700 0.425 0.000 2.556 347 S HA 0.309 4.780 4.470 0.001 0.000 0.271 347 S C 0.403 175.312 174.600 0.515 0.000 1.135 347 S CA -0.876 57.558 58.200 0.391 0.000 0.858 347 S CB 1.403 64.721 63.200 0.197 0.000 1.114 347 S HN 0.763 nan 8.310 nan 0.000 0.468 348 K N 1.422 122.018 120.400 0.326 0.000 2.296 348 K HA 0.057 4.377 4.320 0.001 0.000 0.200 348 K C 0.367 176.970 176.600 0.005 0.000 1.048 348 K CA 1.152 57.528 56.287 0.148 0.000 0.966 348 K CB -0.128 32.276 32.500 -0.160 0.000 0.754 348 K HN 0.434 nan 8.250 nan 0.000 0.466 349 D N 1.414 121.785 120.400 -0.048 0.000 2.137 349 D HA -0.083 4.557 4.640 0.001 0.000 0.202 349 D C 0.606 176.923 176.300 0.028 0.000 0.970 349 D CA 1.129 55.079 54.000 -0.082 0.000 0.837 349 D CB -0.142 40.575 40.800 -0.138 0.000 0.981 349 D HN 0.502 nan 8.370 nan 0.000 0.475 350 N N -0.073 118.684 118.700 0.096 0.000 2.717 350 N HA 0.119 4.860 4.740 0.001 0.000 0.314 350 N C 0.419 176.021 175.510 0.152 0.000 1.324 350 N CA -0.479 52.614 53.050 0.071 0.000 0.902 350 N CB 0.334 38.817 38.487 -0.006 0.000 1.126 350 N HN -0.238 nan 8.380 nan 0.000 0.579 351 E N -1.009 119.190 120.200 -0.001 0.000 2.474 351 E HA 0.128 4.479 4.350 0.001 0.000 0.195 351 E C -0.646 175.628 176.600 -0.543 0.000 1.039 351 E CA -0.198 56.139 56.400 -0.104 0.000 0.881 351 E CB -0.076 29.588 29.700 -0.060 0.000 0.970 351 E HN 0.511 nan 8.360 nan 0.000 0.486 352 S N 1.468 116.871 115.700 -0.495 0.000 3.447 352 S HA -0.159 4.311 4.470 0.001 0.000 0.371 352 S C -0.048 174.117 174.600 -0.726 0.000 0.951 352 S CA 0.267 58.029 58.200 -0.731 0.000 1.269 352 S CB -0.764 61.788 63.200 -1.080 0.000 0.919 352 S HN 0.248 nan 8.310 nan 0.000 0.516 353 L N 2.969 123.920 121.223 -0.454 0.000 2.260 353 L HA 0.505 4.846 4.340 0.001 0.000 0.289 353 L C 0.720 177.387 176.870 -0.337 0.000 1.057 353 L CA -0.054 54.581 54.840 -0.342 0.000 0.811 353 L CB 0.267 42.197 42.059 -0.214 0.000 1.184 353 L HN 0.464 nan 8.230 nan 0.000 0.429 354 I N 1.074 121.443 120.570 -0.335 0.000 2.947 354 I HA 0.609 4.780 4.170 0.001 0.000 0.314 354 I C 0.342 176.387 176.117 -0.119 0.000 1.028 354 I CA -0.538 60.610 61.300 -0.253 0.000 1.077 354 I CB 1.821 39.641 38.000 -0.299 0.000 1.274 354 I HN 0.590 nan 8.210 nan 0.000 0.485 355 S N 2.992 118.654 115.700 -0.064 0.000 2.632 355 S HA 0.356 4.827 4.470 0.001 0.000 0.271 355 S C 1.037 175.666 174.600 0.048 0.000 1.260 355 S CA -0.461 57.730 58.200 -0.016 0.000 1.010 355 S CB 1.608 64.802 63.200 -0.009 0.000 0.965 355 S HN 0.864 nan 8.310 nan 0.000 0.534 356 R N 1.048 121.583 120.500 0.060 0.000 2.139 356 R HA -0.143 4.197 4.340 0.001 0.000 0.243 356 R C 2.104 178.503 176.300 0.164 0.000 1.145 356 R CA 1.613 57.794 56.100 0.135 0.000 0.976 356 R CB -1.044 29.313 30.300 0.095 0.000 0.866 356 R HN 0.839 nan 8.270 nan 0.000 0.449 357 A N 0.779 123.657 122.820 0.097 0.000 1.902 357 A HA -0.207 4.113 4.320 0.001 0.000 0.217 357 A C 2.027 179.661 177.584 0.083 0.000 1.181 357 A CA 1.549 53.633 52.037 0.078 0.000 0.623 357 A CB -0.400 18.629 19.000 0.049 0.000 0.818 357 A HN 0.579 nan 8.150 nan 0.000 0.443 358 Q N -1.895 117.962 119.800 0.095 0.000 2.123 358 Q HA -0.096 4.244 4.340 0.001 0.000 0.199 358 Q C 1.951 178.055 176.000 0.173 0.000 0.966 358 Q CA 1.316 57.184 55.803 0.108 0.000 0.845 358 Q CB -0.339 28.444 28.738 0.074 0.000 0.907 358 Q HN 0.692 nan 8.270 nan 0.000 0.439 359 F N 1.765 121.752 119.950 0.062 0.000 2.095 359 F HA -0.220 4.307 4.527 0.001 0.000 0.298 359 F C 1.676 177.519 175.800 0.072 0.000 1.104 359 F CA 1.054 59.100 58.000 0.077 0.000 1.232 359 F CB -0.222 38.800 39.000 0.037 0.000 0.987 359 F HN -0.034 nan 8.300 nan 0.000 0.475 360 L N 0.733 121.906 121.223 -0.082 0.000 1.994 360 L HA -0.102 4.239 4.340 0.001 0.000 0.208 360 L C 2.765 179.563 176.870 -0.121 0.000 1.071 360 L CA 2.124 56.865 54.840 -0.165 0.000 0.745 360 L CB -1.915 40.142 42.059 -0.003 0.000 0.892 360 L HN 0.234 nan 8.230 nan 0.000 0.431 361 A N -0.853 121.949 122.820 -0.030 0.000 2.067 361 A HA -0.016 4.304 4.320 0.001 0.000 0.219 361 A C 2.317 179.896 177.584 -0.009 0.000 1.158 361 A CA 1.396 53.429 52.037 -0.007 0.000 0.661 361 A CB -1.052 17.964 19.000 0.026 0.000 0.801 361 A HN 0.458 nan 8.150 nan 0.000 0.452 362 G N -1.044 107.744 108.800 -0.019 0.000 2.494 362 G HA2 0.062 4.022 3.960 0.001 0.000 0.216 362 G HA3 0.062 4.022 3.960 0.001 0.000 0.216 362 G C 1.344 176.207 174.900 -0.062 0.000 1.140 362 G CA 0.923 46.026 45.100 0.005 0.000 0.801 362 G HN 0.270 nan 8.290 nan 0.000 0.536 363 V N 1.282 121.090 119.914 -0.177 0.000 2.515 363 V HA -0.092 4.028 4.120 0.001 0.000 0.250 363 V C 2.771 178.841 176.094 -0.040 0.000 1.058 363 V CA 1.291 63.501 62.300 -0.151 0.000 1.064 363 V CB -0.300 31.360 31.823 -0.271 0.000 0.675 363 V HN 0.253 nan 8.190 nan 0.000 0.461 364 R N -0.214 120.264 120.500 -0.036 0.000 2.235 364 R HA 0.097 4.437 4.340 0.001 0.000 0.213 364 R C 1.906 178.216 176.300 0.016 0.000 1.059 364 R CA 0.861 56.961 56.100 -0.001 0.000 0.997 364 R CB -0.479 29.820 30.300 -0.002 0.000 0.884 364 R HN 0.407 nan 8.270 nan 0.000 0.462 365 I N -0.351 120.229 120.570 0.016 0.000 2.494 365 I HA 0.008 4.178 4.170 0.001 0.000 0.250 365 I C 2.221 178.360 176.117 0.037 0.000 1.112 365 I CA 1.242 62.561 61.300 0.031 0.000 1.438 365 I CB -1.404 36.620 38.000 0.040 0.000 1.111 365 I HN 0.129 nan 8.210 nan 0.000 0.431 366 G N 0.833 109.652 108.800 0.033 0.000 2.421 366 G HA2 -0.029 3.932 3.960 0.001 0.000 0.217 366 G HA3 -0.029 3.932 3.960 0.001 0.000 0.217 366 G C 0.883 175.850 174.900 0.112 0.000 1.143 366 G CA 0.418 45.548 45.100 0.050 0.000 0.784 366 G HN 0.246 nan 8.290 nan 0.000 0.541 367 V N 2.172 122.147 119.914 0.101 0.000 2.320 367 V HA 0.217 4.337 4.120 0.001 0.000 0.257 367 V C -1.377 174.760 176.094 0.073 0.000 0.996 367 V CA -1.091 61.279 62.300 0.117 0.000 0.928 367 V CB 1.555 33.427 31.823 0.081 0.000 1.169 367 V HN 0.093 nan 8.190 nan 0.000 0.475 368 P HA -0.212 nan 4.420 nan 0.000 0.219 368 P C 1.324 178.641 177.300 0.028 0.000 1.146 368 P CA 1.247 64.369 63.100 0.037 0.000 0.808 368 P CB 0.406 32.122 31.700 0.027 0.000 0.779 369 Q N -0.106 119.716 119.800 0.037 0.000 2.432 369 Q HA 0.117 4.457 4.340 0.001 0.000 0.205 369 Q C 0.814 176.821 176.000 0.011 0.000 0.945 369 Q CA 0.212 56.026 55.803 0.020 0.000 0.924 369 Q CB -0.691 28.061 28.738 0.023 0.000 1.016 369 Q HN 0.061 nan 8.270 nan 0.000 0.503 370 A N 2.002 124.833 122.820 0.018 0.000 2.425 370 A HA 0.388 4.709 4.320 0.001 0.000 0.242 370 A C 0.293 177.881 177.584 0.007 0.000 1.077 370 A CA 0.132 52.176 52.037 0.011 0.000 0.781 370 A CB 0.336 19.351 19.000 0.025 0.000 1.020 370 A HN 0.518 nan 8.150 nan 0.000 0.494 371 S N 0.590 116.292 115.700 0.002 0.000 2.687 371 S HA 0.383 4.853 4.470 0.001 0.000 0.283 371 S C 0.121 174.729 174.600 0.015 0.000 1.170 371 S CA -0.217 57.985 58.200 0.003 0.000 1.008 371 S CB 1.090 64.287 63.200 -0.005 0.000 1.026 371 S HN 0.583 nan 8.310 nan 0.000 0.541 372 D N 0.408 120.818 120.400 0.016 0.000 2.158 372 D HA -0.129 4.512 4.640 0.001 0.000 0.197 372 D C 1.611 177.932 176.300 0.035 0.000 0.995 372 D CA 1.054 55.068 54.000 0.024 0.000 0.846 372 D CB -0.298 40.515 40.800 0.022 0.000 0.941 372 D HN 0.387 nan 8.370 nan 0.000 0.456 373 L N 0.409 121.652 121.223 0.032 0.000 2.072 373 L HA 0.069 4.410 4.340 0.001 0.000 0.205 373 L C 2.067 178.977 176.870 0.066 0.000 1.079 373 L CA 1.537 56.405 54.840 0.047 0.000 0.752 373 L CB -0.888 41.194 42.059 0.038 0.000 0.906 373 L HN 0.019 nan 8.230 nan 0.000 0.436 374 A N -0.246 122.601 122.820 0.045 0.000 1.883 374 A HA -0.169 4.151 4.320 0.001 0.000 0.217 374 A C 2.473 180.111 177.584 0.090 0.000 1.186 374 A CA 2.118 54.187 52.037 0.054 0.000 0.624 374 A CB -1.310 17.691 19.000 0.002 0.000 0.822 374 A HN 0.578 nan 8.150 nan 0.000 0.444 375 A N -0.350 122.509 122.820 0.064 0.000 1.873 375 A HA -0.268 4.052 4.320 0.001 0.000 0.218 375 A C 2.034 179.667 177.584 0.083 0.000 1.193 375 A CA 2.107 54.183 52.037 0.064 0.000 0.629 375 A CB -0.760 18.261 19.000 0.034 0.000 0.826 375 A HN 0.677 nan 8.150 nan 0.000 0.447 376 E N -0.394 119.857 120.200 0.084 0.000 2.160 376 E HA -0.130 4.221 4.350 0.001 0.000 0.195 376 E C 2.015 178.691 176.600 0.126 0.000 0.991 376 E CA 1.040 57.503 56.400 0.105 0.000 0.810 376 E CB -0.252 29.502 29.700 0.091 0.000 0.742 376 E HN 0.580 nan 8.360 nan 0.000 0.466 377 A N 0.104 123.007 122.820 0.138 0.000 1.898 377 A HA -0.110 4.210 4.320 0.001 0.000 0.216 377 A C 2.360 179.969 177.584 0.041 0.000 1.181 377 A CA 1.267 53.398 52.037 0.158 0.000 0.620 377 A CB -0.504 18.696 19.000 0.333 0.000 0.819 377 A HN 0.212 nan 8.150 nan 0.000 0.442 378 V N -0.292 119.686 119.914 0.108 0.000 2.295 378 V HA -0.226 3.894 4.120 0.001 0.000 0.246 378 V C 2.596 178.797 176.094 0.178 0.000 1.049 378 V CA 1.981 64.324 62.300 0.070 0.000 1.024 378 V CB -0.817 31.126 31.823 0.200 0.000 0.648 378 V HN 0.366 nan 8.190 nan 0.000 0.447 379 V N 0.075 120.097 119.914 0.181 0.000 2.287 379 V HA -0.290 3.831 4.120 0.001 0.000 0.248 379 V C 2.437 178.721 176.094 0.316 0.000 1.053 379 V CA 2.335 64.790 62.300 0.258 0.000 1.027 379 V CB -0.744 31.195 31.823 0.193 0.000 0.646 379 V HN 0.572 nan 8.190 nan 0.000 0.447 380 L N -0.044 121.363 121.223 0.306 0.000 2.043 380 L HA -0.255 4.085 4.340 0.001 0.000 0.212 380 L C 2.444 179.485 176.870 0.284 0.000 1.075 380 L CA 2.700 57.807 54.840 0.446 0.000 0.752 380 L CB -0.876 41.319 42.059 0.227 0.000 0.891 380 L HN 0.520 nan 8.230 nan 0.000 0.432 381 H N -1.582 117.415 119.070 -0.121 0.000 2.321 381 H HA -0.175 4.382 4.556 0.001 0.000 0.300 381 H C 1.324 176.467 175.328 -0.309 0.000 1.087 381 H CA 2.284 58.097 56.048 -0.392 0.000 1.319 381 H CB -0.252 28.901 29.762 -1.017 0.000 1.379 381 H HN 0.500 nan 8.280 nan 0.000 0.501 382 Y N 0.130 120.433 120.300 0.006 0.000 2.471 382 Y HA 0.167 4.718 4.550 0.001 0.000 0.286 382 Y C 0.482 176.379 175.900 -0.004 0.000 1.188 382 Y CA 0.258 58.386 58.100 0.047 0.000 1.286 382 Y CB 0.055 38.681 38.460 0.277 0.000 1.072 382 Y HN 0.065 nan 8.280 nan 0.000 0.517 383 T N 0.060 114.590 114.554 -0.039 0.000 2.907 383 T HA 0.156 4.506 4.350 0.001 0.000 0.284 383 T C -0.745 173.631 174.700 -0.540 0.000 1.004 383 T CA -0.710 61.154 62.100 -0.393 0.000 1.063 383 T CB 1.155 69.394 68.868 -1.047 0.000 0.992 383 T HN 0.063 nan 8.240 nan 0.000 0.483 384 D N 1.035 121.124 120.400 -0.517 0.000 2.412 384 D HA 0.236 4.876 4.640 0.001 0.000 0.224 384 D C 0.016 176.015 176.300 -0.502 0.000 1.093 384 D CA -0.636 53.051 54.000 -0.523 0.000 0.850 384 D CB 0.383 40.726 40.800 -0.761 0.000 1.046 384 D HN 0.573 nan 8.370 nan 0.000 0.507 385 W N 2.914 124.140 121.300 -0.122 0.000 2.825 385 W HA 0.094 4.755 4.660 0.001 0.000 0.243 385 W C 1.695 178.113 176.519 -0.169 0.000 1.293 385 W CA -0.256 57.025 57.345 -0.107 0.000 1.403 385 W CB 0.045 29.454 29.460 -0.086 0.000 1.134 385 W HN 0.473 nan 8.180 nan 0.000 0.666 386 L N -0.950 120.176 121.223 -0.161 0.000 2.270 386 L HA -0.023 4.317 4.340 0.001 0.000 0.210 386 L C 0.105 176.569 176.870 -0.678 0.000 1.104 386 L CA 1.101 55.684 54.840 -0.428 0.000 0.804 386 L CB -0.016 41.699 42.059 -0.573 0.000 0.937 386 L HN 0.026 nan 8.230 nan 0.000 0.450 387 H N -2.012 117.001 119.070 -0.096 0.000 2.695 387 H HA 0.158 4.714 4.556 0.001 0.000 0.222 387 H C -1.999 173.243 175.328 -0.143 0.000 1.412 387 H CA -1.135 54.854 56.048 -0.099 0.000 1.347 387 H CB 0.092 29.788 29.762 -0.109 0.000 1.858 387 H HN -0.026 nan 8.280 nan 0.000 0.519 388 P HA -0.133 nan 4.420 nan 0.000 0.236 388 P C 0.595 177.840 177.300 -0.092 0.000 1.172 388 P CA 1.058 64.046 63.100 -0.187 0.000 0.759 388 P CB 0.707 32.296 31.700 -0.184 0.000 0.843 389 E N -0.422 119.764 120.200 -0.024 0.000 2.447 389 E HA 0.016 4.366 4.350 0.001 0.000 0.204 389 E C 0.227 176.815 176.600 -0.020 0.000 0.977 389 E CA 0.036 56.429 56.400 -0.012 0.000 0.950 389 E CB -0.225 29.481 29.700 0.010 0.000 0.975 389 E HN 0.208 nan 8.360 nan 0.000 0.496 390 D N 3.095 123.491 120.400 -0.006 0.000 2.426 390 D HA -0.050 4.590 4.640 0.001 0.000 0.261 390 D C -1.248 175.023 176.300 -0.048 0.000 1.245 390 D CA -1.318 52.667 54.000 -0.024 0.000 0.917 390 D CB 1.099 41.884 40.800 -0.024 0.000 1.123 390 D HN -0.057 nan 8.370 nan 0.000 0.508 391 P HA -0.150 nan 4.420 nan 0.000 0.218 391 P C 1.217 178.440 177.300 -0.128 0.000 1.149 391 P CA 0.927 63.959 63.100 -0.112 0.000 0.817 391 P CB 0.267 31.897 31.700 -0.116 0.000 0.785 392 T N -0.690 113.811 114.554 -0.090 0.000 2.643 392 T HA -0.178 4.172 4.350 0.001 0.000 0.264 392 T C 1.857 176.521 174.700 -0.060 0.000 1.045 392 T CA 1.854 63.910 62.100 -0.073 0.000 1.155 392 T CB -1.181 67.663 68.868 -0.040 0.000 0.863 392 T HN 0.290 nan 8.240 nan 0.000 0.420 393 H N 1.010 120.014 119.070 -0.111 0.000 2.352 393 H HA 0.045 4.602 4.556 0.001 0.000 0.299 393 H C 2.064 177.280 175.328 -0.188 0.000 1.097 393 H CA 1.390 57.367 56.048 -0.118 0.000 1.311 393 H CB -0.579 29.110 29.762 -0.122 0.000 1.377 393 H HN 0.243 nan 8.280 nan 0.000 0.504 394 L N 0.037 121.046 121.223 -0.357 0.000 2.042 394 L HA -0.193 4.148 4.340 0.001 0.000 0.210 394 L C 2.921 179.597 176.870 -0.323 0.000 1.076 394 L CA 1.660 56.177 54.840 -0.538 0.000 0.749 394 L CB -0.545 41.302 42.059 -0.354 0.000 0.893 394 L HN 0.349 nan 8.230 nan 0.000 0.432 395 R N 0.666 121.071 120.500 -0.158 0.000 2.070 395 R HA -0.193 4.147 4.340 0.001 0.000 0.232 395 R C 1.774 178.105 176.300 0.051 0.000 1.138 395 R CA 2.283 58.393 56.100 0.016 0.000 0.936 395 R CB -0.450 29.756 30.300 -0.156 0.000 0.839 395 R HN 0.284 nan 8.270 nan 0.000 0.429 396 D N 0.545 120.920 120.400 -0.042 0.000 2.133 396 D HA -0.153 4.488 4.640 0.001 0.000 0.195 396 D C 1.763 178.036 176.300 -0.045 0.000 0.997 396 D CA 1.772 55.775 54.000 0.005 0.000 0.840 396 D CB -0.311 40.486 40.800 -0.004 0.000 0.947 396 D HN 0.434 nan 8.370 nan 0.000 0.452 397 A N 0.404 123.084 122.820 -0.234 0.000 1.898 397 A HA -0.157 4.163 4.320 0.001 0.000 0.216 397 A C 2.115 179.684 177.584 -0.024 0.000 1.181 397 A CA 1.750 53.659 52.037 -0.213 0.000 0.620 397 A CB -0.542 18.128 19.000 -0.551 0.000 0.819 397 A HN 0.187 nan 8.150 nan 0.000 0.442 398 M N 0.328 119.999 119.600 0.118 0.000 2.213 398 M HA -0.093 4.387 4.480 0.001 0.000 0.263 398 M C 2.225 178.536 176.300 0.019 0.000 1.062 398 M CA 2.117 57.557 55.300 0.233 0.000 1.105 398 M CB -0.642 32.165 32.600 0.344 0.000 1.385 398 M HN 0.445 nan 8.290 nan 0.000 0.417 399 S N -0.234 115.480 115.700 0.025 0.000 2.368 399 S HA -0.040 4.431 4.470 0.001 0.000 0.224 399 S C 2.080 176.696 174.600 0.026 0.000 1.029 399 S CA 1.359 59.590 58.200 0.051 0.000 0.988 399 S CB -0.589 62.712 63.200 0.169 0.000 0.838 399 S HN 0.611 nan 8.310 nan 0.000 0.462 400 A N 1.001 123.822 122.820 0.001 0.000 1.933 400 A HA 0.051 4.372 4.320 0.001 0.000 0.218 400 A C 2.358 179.851 177.584 -0.153 0.000 1.175 400 A CA 1.642 53.677 52.037 -0.003 0.000 0.628 400 A CB -1.086 17.979 19.000 0.107 0.000 0.814 400 A HN 0.470 nan 8.150 nan 0.000 0.444 401 V N -0.144 119.550 119.914 -0.366 0.000 2.255 401 V HA -0.272 3.849 4.120 0.001 0.000 0.247 401 V C 2.565 178.562 176.094 -0.161 0.000 1.051 401 V CA 2.255 64.360 62.300 -0.326 0.000 1.018 401 V CB -0.881 30.829 31.823 -0.187 0.000 0.641 401 V HN 0.397 nan 8.190 nan 0.000 0.445 402 V N 0.706 120.551 119.914 -0.116 0.000 2.515 402 V HA -0.101 4.020 4.120 0.001 0.000 0.250 402 V C 2.524 178.491 176.094 -0.211 0.000 1.058 402 V CA 1.930 64.148 62.300 -0.137 0.000 1.064 402 V CB -1.323 30.467 31.823 -0.055 0.000 0.675 402 V HN 0.603 nan 8.190 nan 0.000 0.461 403 G N -0.168 108.562 108.800 -0.117 0.000 2.396 403 G HA2 -0.165 3.795 3.960 0.001 0.000 0.214 403 G HA3 -0.165 3.795 3.960 0.001 0.000 0.214 403 G C 1.173 175.971 174.900 -0.170 0.000 1.166 403 G CA 0.801 45.844 45.100 -0.095 0.000 0.793 403 G HN 0.498 nan 8.290 nan 0.000 0.533 404 D N -0.553 119.749 120.400 -0.164 0.000 2.097 404 D HA -0.070 4.571 4.640 0.001 0.000 0.197 404 D C 1.962 177.894 176.300 -0.612 0.000 0.984 404 D CA 0.956 54.820 54.000 -0.227 0.000 0.826 404 D CB -0.604 40.232 40.800 0.060 0.000 0.973 404 D HN 0.504 nan 8.370 nan 0.000 0.460 405 H N 0.502 118.926 119.070 -1.078 0.000 2.293 405 H HA -0.031 4.525 4.556 0.001 0.000 0.300 405 H C 1.419 176.329 175.328 -0.696 0.000 1.082 405 H CA 1.203 56.476 56.048 -1.291 0.000 1.308 405 H CB 0.325 29.333 29.762 -1.257 0.000 1.375 405 H HN 0.040 nan 8.280 nan 0.000 0.495 406 N N -0.171 118.053 118.700 -0.794 0.000 2.395 406 N HA -0.044 4.697 4.740 0.001 0.000 0.175 406 N C 1.350 176.586 175.510 -0.457 0.000 1.029 406 N CA 0.900 53.414 53.050 -0.892 0.000 0.897 406 N CB 1.016 38.433 38.487 -1.782 0.000 0.991 406 N HN 0.217 nan 8.380 nan 0.000 0.441 407 V N -0.363 119.348 119.914 -0.338 0.000 3.278 407 V HA 0.006 4.126 4.120 0.001 0.000 0.215 407 V C 2.212 178.248 176.094 -0.097 0.000 1.287 407 V CA 0.170 62.398 62.300 -0.121 0.000 1.302 407 V CB -0.235 31.556 31.823 -0.053 0.000 1.228 407 V HN -0.174 nan 8.190 nan 0.000 0.523 408 V N 0.206 120.062 119.914 -0.096 0.000 2.282 408 V HA -0.339 3.781 4.120 0.001 0.000 0.249 408 V C 2.484 178.533 176.094 -0.076 0.000 1.057 408 V CA 2.664 64.923 62.300 -0.068 0.000 1.032 408 V CB -1.079 30.730 31.823 -0.024 0.000 0.645 408 V HN 0.669 nan 8.190 nan 0.000 0.447 409 c N -0.333 118.213 118.600 -0.090 0.000 2.476 409 c HA 0.006 4.576 4.570 0.001 0.000 0.278 409 c C 0.665 174.722 174.090 -0.055 0.000 1.274 409 c CA 1.085 57.395 56.329 -0.033 0.000 1.713 409 c CB -1.823 40.697 42.510 0.017 0.000 2.039 409 c HN 0.442 nan 8.230 nan 0.000 0.484 410 P HA -0.073 nan 4.420 nan 0.000 0.218 410 P C 1.735 178.974 177.300 -0.102 0.000 1.148 410 P CA 1.297 64.331 63.100 -0.110 0.000 0.822 410 P CB -0.105 31.499 31.700 -0.160 0.000 0.784 411 V N 0.017 119.870 119.914 -0.102 0.000 2.307 411 V HA -0.238 3.882 4.120 0.001 0.000 0.245 411 V C 2.406 178.405 176.094 -0.159 0.000 1.045 411 V CA 2.262 64.488 62.300 -0.124 0.000 1.024 411 V CB -1.581 30.164 31.823 -0.130 0.000 0.651 411 V HN 0.089 nan 8.190 nan 0.000 0.449 412 A N -0.488 122.247 122.820 -0.141 0.000 1.940 412 A HA -0.325 3.995 4.320 0.001 0.000 0.219 412 A C 2.143 179.685 177.584 -0.071 0.000 1.176 412 A CA 2.346 54.298 52.037 -0.141 0.000 0.631 412 A CB -0.556 18.415 19.000 -0.049 0.000 0.814 412 A HN 0.598 nan 8.150 nan 0.000 0.446 413 Q N -0.421 119.356 119.800 -0.038 0.000 1.993 413 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 413 Q C 1.895 177.881 176.000 -0.023 0.000 0.984 413 Q CA 2.048 57.846 55.803 -0.008 0.000 0.837 413 Q CB -0.597 28.131 28.738 -0.017 0.000 0.902 413 Q HN 0.503 nan 8.270 nan 0.000 0.423 414 L N 0.276 121.459 121.223 -0.066 0.000 2.042 414 L HA -0.081 4.260 4.340 0.001 0.000 0.210 414 L C 2.151 178.970 176.870 -0.083 0.000 1.076 414 L CA 2.320 57.112 54.840 -0.080 0.000 0.749 414 L CB -1.066 40.927 42.059 -0.110 0.000 0.893 414 L HN 0.324 nan 8.230 nan 0.000 0.432 415 A N -0.558 122.179 122.820 -0.139 0.000 1.877 415 A HA -0.075 4.246 4.320 0.001 0.000 0.216 415 A C 2.347 179.967 177.584 0.060 0.000 1.186 415 A CA 1.619 53.543 52.037 -0.189 0.000 0.620 415 A CB -1.608 17.009 19.000 -0.637 0.000 0.822 415 A HN 0.531 nan 8.150 nan 0.000 0.443 416 G N -0.503 108.381 108.800 0.141 0.000 2.421 416 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 416 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 416 G C 1.656 176.651 174.900 0.159 0.000 1.171 416 G CA 0.824 46.081 45.100 0.262 0.000 0.775 416 G HN 0.406 nan 8.290 nan 0.000 0.543 417 R N -0.148 120.414 120.500 0.103 0.000 2.081 417 R HA 0.041 4.381 4.340 0.001 0.000 0.235 417 R C 2.491 178.883 176.300 0.153 0.000 1.131 417 R CA 0.490 56.659 56.100 0.115 0.000 0.960 417 R CB -1.313 29.044 30.300 0.095 0.000 0.856 417 R HN 0.316 nan 8.270 nan 0.000 0.436 418 L N 0.750 122.019 121.223 0.076 0.000 2.017 418 L HA -0.047 4.293 4.340 0.001 0.000 0.208 418 L C 2.469 179.423 176.870 0.140 0.000 1.073 418 L CA 1.972 56.837 54.840 0.042 0.000 0.745 418 L CB -1.322 40.667 42.059 -0.118 0.000 0.894 418 L HN 0.172 nan 8.230 nan 0.000 0.432 419 A N -0.799 122.103 122.820 0.137 0.000 1.883 419 A HA -0.184 4.137 4.320 0.001 0.000 0.217 419 A C 2.472 180.127 177.584 0.118 0.000 1.186 419 A CA 1.986 54.108 52.037 0.141 0.000 0.624 419 A CB -0.983 18.141 19.000 0.206 0.000 0.822 419 A HN 0.418 nan 8.150 nan 0.000 0.444 420 A N -0.822 122.073 122.820 0.124 0.000 1.940 420 A HA -0.170 4.151 4.320 0.001 0.000 0.219 420 A C 1.777 179.421 177.584 0.100 0.000 1.176 420 A CA 1.480 53.575 52.037 0.097 0.000 0.631 420 A CB -0.407 18.649 19.000 0.094 0.000 0.814 420 A HN 0.656 nan 8.150 nan 0.000 0.446 421 Q N -1.316 118.577 119.800 0.156 0.000 2.399 421 Q HA 0.381 4.722 4.340 0.001 0.000 0.307 421 Q C 0.915 177.009 176.000 0.157 0.000 0.933 421 Q CA 0.203 56.093 55.803 0.146 0.000 0.995 421 Q CB 0.094 28.935 28.738 0.172 0.000 1.191 421 Q HN 0.802 nan 8.270 nan 0.000 0.426 422 G N 0.424 109.298 108.800 0.123 0.000 2.284 422 G HA2 -0.338 3.622 3.960 0.001 0.000 0.230 422 G HA3 -0.338 3.622 3.960 0.001 0.000 0.230 422 G C 0.469 175.445 174.900 0.126 0.000 1.021 422 G CA -0.187 44.977 45.100 0.106 0.000 0.619 422 G HN 0.622 nan 8.290 nan 0.000 0.510 423 A N 0.613 123.541 122.820 0.180 0.000 2.448 423 A HA 0.596 4.917 4.320 0.001 0.000 0.239 423 A C 0.752 178.391 177.584 0.091 0.000 1.080 423 A CA 0.401 52.524 52.037 0.144 0.000 0.779 423 A CB 0.263 19.336 19.000 0.122 0.000 1.026 423 A HN 0.410 nan 8.150 nan 0.000 0.499 424 R N 1.418 121.969 120.500 0.086 0.000 2.215 424 R HA 0.447 4.787 4.340 0.001 0.000 0.337 424 R C -1.288 175.040 176.300 0.048 0.000 1.010 424 R CA -0.144 55.983 56.100 0.045 0.000 0.871 424 R CB 0.751 31.098 30.300 0.078 0.000 1.134 424 R HN 0.508 nan 8.270 nan 0.000 0.477 425 V N 5.093 124.991 119.914 -0.027 0.000 2.630 425 V HA 0.431 4.551 4.120 0.001 0.000 0.305 425 V C -0.793 175.199 176.094 -0.170 0.000 1.046 425 V CA -0.698 61.603 62.300 0.002 0.000 0.934 425 V CB 1.719 33.594 31.823 0.087 0.000 1.003 425 V HN 0.530 nan 8.190 nan 0.000 0.451 426 Y N 1.806 122.110 120.300 0.007 0.000 2.391 426 Y HA 0.751 5.301 4.550 0.001 0.000 0.341 426 Y C 0.253 176.289 175.900 0.227 0.000 0.965 426 Y CA -0.426 57.672 58.100 -0.003 0.000 1.067 426 Y CB 2.143 40.254 38.460 -0.581 0.000 1.199 426 Y HN 0.765 nan 8.280 nan 0.000 0.450 427 A N 3.418 126.661 122.820 0.706 0.000 2.413 427 A HA 0.895 5.216 4.320 0.001 0.000 0.307 427 A C -1.835 176.109 177.584 0.599 0.000 1.087 427 A CA -0.657 51.656 52.037 0.459 0.000 0.750 427 A CB 1.237 20.320 19.000 0.139 0.000 1.296 427 A HN 0.753 nan 8.150 nan 0.000 0.423 428 Y N -0.919 119.577 120.300 0.328 0.000 2.655 428 Y HA 0.795 5.345 4.550 0.001 0.000 0.336 428 Y C -1.286 174.735 175.900 0.203 0.000 1.154 428 Y CA -1.647 56.564 58.100 0.185 0.000 1.055 428 Y CB 1.349 39.879 38.460 0.118 0.000 1.295 428 Y HN 0.723 nan 8.280 nan 0.000 0.465 429 I N 2.742 123.603 120.570 0.485 0.000 2.500 429 I HA 0.400 4.571 4.170 0.001 0.000 0.286 429 I C -1.906 174.521 176.117 0.517 0.000 1.063 429 I CA -0.889 60.647 61.300 0.393 0.000 1.062 429 I CB 0.976 39.128 38.000 0.252 0.000 1.223 429 I HN 0.708 nan 8.210 nan 0.000 0.435 430 F N 7.456 127.675 119.950 0.447 0.000 2.444 430 F HA 0.326 4.853 4.527 0.001 0.000 0.360 430 F C 0.818 176.763 175.800 0.242 0.000 1.106 430 F CA 0.256 58.462 58.000 0.343 0.000 1.170 430 F CB 0.748 39.960 39.000 0.353 0.000 1.113 430 F HN 0.544 nan 8.300 nan 0.000 0.521 431 E N 2.761 122.782 120.200 -0.297 0.000 2.526 431 E HA -0.023 4.327 4.350 0.001 0.000 0.208 431 E C -0.520 175.885 176.600 -0.325 0.000 0.997 431 E CA -0.142 56.135 56.400 -0.204 0.000 0.961 431 E CB 0.245 29.904 29.700 -0.069 0.000 1.030 431 E HN 0.583 nan 8.360 nan 0.000 0.483 432 H N 1.190 119.799 119.070 -0.768 0.000 2.548 432 H HA 0.237 4.793 4.556 0.001 0.000 0.331 432 H C -0.366 174.805 175.328 -0.261 0.000 1.093 432 H CA -0.322 55.389 56.048 -0.560 0.000 1.367 432 H CB 0.672 29.958 29.762 -0.794 0.000 1.455 432 H HN -0.174 nan 8.280 nan 0.000 0.519 433 R N 3.813 123.839 120.500 -0.789 0.000 2.229 433 R HA 0.470 4.811 4.340 0.001 0.000 0.332 433 R C -0.761 175.343 176.300 -0.326 0.000 0.989 433 R CA -0.767 55.124 56.100 -0.348 0.000 0.842 433 R CB 0.536 30.713 30.300 -0.205 0.000 1.119 433 R HN 0.834 nan 8.270 nan 0.000 0.456 434 A N 3.024 125.976 122.820 0.221 0.000 2.545 434 A HA -0.014 4.306 4.320 0.001 0.000 0.253 434 A C 1.428 179.182 177.584 0.283 0.000 1.074 434 A CA 0.591 52.978 52.037 0.584 0.000 0.760 434 A CB 0.247 19.706 19.000 0.764 0.000 1.005 434 A HN 1.019 nan 8.150 nan 0.000 0.506 435 S N 2.093 117.981 115.700 0.314 0.000 2.400 435 S HA -0.201 4.270 4.470 0.001 0.000 0.232 435 S C 1.467 176.090 174.600 0.038 0.000 1.025 435 S CA 1.857 60.140 58.200 0.139 0.000 0.993 435 S CB -0.975 62.321 63.200 0.161 0.000 0.808 435 S HN 1.354 nan 8.310 nan 0.000 0.478 436 T N -0.643 113.904 114.554 -0.013 0.000 3.194 436 T HA 0.324 4.675 4.350 0.001 0.000 0.251 436 T C 0.366 175.025 174.700 -0.069 0.000 1.132 436 T CA -0.508 61.510 62.100 -0.135 0.000 1.028 436 T CB -0.529 68.105 68.868 -0.391 0.000 0.976 436 T HN 0.244 nan 8.240 nan 0.000 0.535 437 L N 4.088 125.317 121.223 0.010 0.000 2.462 437 L HA 0.296 4.636 4.340 0.001 0.000 0.272 437 L C 1.447 178.296 176.870 -0.035 0.000 1.166 437 L CA 0.506 55.344 54.840 -0.003 0.000 0.880 437 L CB 0.732 42.809 42.059 0.030 0.000 1.142 437 L HN 0.430 nan 8.230 nan 0.000 0.473 438 T N 0.140 114.640 114.554 -0.091 0.000 3.107 438 T HA 0.094 4.444 4.350 0.001 0.000 0.249 438 T C 0.318 175.061 174.700 0.072 0.000 1.096 438 T CA -0.335 61.730 62.100 -0.058 0.000 1.012 438 T CB -0.356 68.384 68.868 -0.213 0.000 0.977 438 T HN 0.439 nan 8.240 nan 0.000 0.527 439 W N 3.047 124.380 121.300 0.055 0.000 2.381 439 W HA 0.455 5.115 4.660 0.001 0.000 0.329 439 W C -2.119 174.313 176.519 -0.146 0.000 1.157 439 W CA -2.673 54.681 57.345 0.014 0.000 1.240 439 W CB 0.457 29.852 29.460 -0.109 0.000 1.199 439 W HN -0.087 nan 8.180 nan 0.000 0.579 440 P HA -0.175 nan 4.420 nan 0.000 0.266 440 P C 0.574 177.799 177.300 -0.124 0.000 1.186 440 P CA 0.107 63.139 63.100 -0.113 0.000 0.767 440 P CB 0.789 32.331 31.700 -0.263 0.000 0.820 441 L N 3.879 125.105 121.223 0.005 0.000 2.265 441 L HA -0.099 4.241 4.340 0.001 0.000 0.215 441 L C 2.155 179.101 176.870 0.126 0.000 1.117 441 L CA 1.246 56.117 54.840 0.051 0.000 0.782 441 L CB -1.399 40.705 42.059 0.074 0.000 0.914 441 L HN 0.600 nan 8.230 nan 0.000 0.441 442 W N -1.361 119.990 121.300 0.085 0.000 2.425 442 W HA -0.138 4.523 4.660 0.001 0.000 0.277 442 W C 1.627 178.211 176.519 0.109 0.000 1.231 442 W CA 0.582 57.980 57.345 0.090 0.000 1.248 442 W CB -1.010 28.505 29.460 0.092 0.000 1.117 442 W HN 0.181 nan 8.180 nan 0.000 0.568 443 M N 1.567 120.995 119.600 -0.287 0.000 2.630 443 M HA 0.120 4.600 4.480 0.001 0.000 0.254 443 M C 1.810 178.097 176.300 -0.022 0.000 1.092 443 M CA 1.395 56.505 55.300 -0.317 0.000 1.087 443 M CB -0.877 31.328 32.600 -0.658 0.000 1.453 443 M HN 0.200 nan 8.290 nan 0.000 0.509 444 G N 0.875 109.701 108.800 0.043 0.000 2.622 444 G HA2 -0.302 3.658 3.960 0.001 0.000 0.307 444 G HA3 -0.302 3.658 3.960 0.001 0.000 0.307 444 G C -0.041 174.899 174.900 0.066 0.000 1.226 444 G CA 0.016 45.158 45.100 0.070 0.000 0.997 444 G HN 0.265 nan 8.290 nan 0.000 0.551 445 V N 4.634 124.619 119.914 0.117 0.000 2.270 445 V HA 0.412 4.532 4.120 0.001 0.000 0.263 445 V C -1.170 175.078 176.094 0.257 0.000 1.066 445 V CA -0.510 61.909 62.300 0.198 0.000 0.857 445 V CB 0.853 32.814 31.823 0.229 0.000 1.099 445 V HN 0.644 nan 8.190 nan 0.000 0.476 446 P HA 0.083 nan 4.420 nan 0.000 0.277 446 P C -0.218 177.310 177.300 0.380 0.000 1.276 446 P CA -0.483 62.780 63.100 0.272 0.000 0.788 446 P CB 0.603 32.366 31.700 0.105 0.000 1.114 447 H N -0.516 118.620 119.070 0.109 0.000 3.184 447 H HA 0.260 4.817 4.556 0.001 0.000 0.274 447 H C 1.492 176.673 175.328 -0.245 0.000 0.962 447 H CA 2.077 58.096 56.048 -0.049 0.000 1.441 447 H CB -1.202 28.469 29.762 -0.151 0.000 1.518 447 H HN 0.748 nan 8.280 nan 0.000 0.539 448 G N 3.976 112.572 108.800 -0.340 0.000 2.218 448 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 448 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 448 G C 0.333 175.115 174.900 -0.198 0.000 0.994 448 G CA 0.113 44.963 45.100 -0.417 0.000 0.637 448 G HN 0.579 nan 8.290 nan 0.000 0.505 449 Y N 1.932 122.388 120.300 0.260 0.000 2.627 449 Y HA 0.339 4.890 4.550 0.001 0.000 0.339 449 Y C 1.988 178.085 175.900 0.328 0.000 1.137 449 Y CA 0.735 59.054 58.100 0.365 0.000 1.361 449 Y CB 0.254 38.959 38.460 0.408 0.000 1.180 449 Y HN 0.544 nan 8.280 nan 0.000 0.512 450 E N -0.895 119.348 120.200 0.072 0.000 2.421 450 E HA 0.005 4.355 4.350 0.001 0.000 0.209 450 E C 1.575 178.086 176.600 -0.149 0.000 0.871 450 E CA 0.364 56.468 56.400 -0.494 0.000 1.064 450 E CB -0.516 28.541 29.700 -1.073 0.000 1.075 450 E HN 0.503 nan 8.360 nan 0.000 0.513 451 I N 3.363 123.943 120.570 0.016 0.000 2.087 451 I HA -0.349 3.821 4.170 0.001 0.000 0.240 451 I C 2.731 178.893 176.117 0.074 0.000 1.054 451 I CA 2.504 63.858 61.300 0.091 0.000 1.311 451 I CB -0.641 37.465 38.000 0.177 0.000 1.024 451 I HN 0.255 nan 8.210 nan 0.000 0.402 452 E N 0.859 121.076 120.200 0.029 0.000 2.273 452 E HA -0.242 4.108 4.350 0.001 0.000 0.198 452 E C 1.956 178.363 176.600 -0.322 0.000 1.002 452 E CA 1.553 57.864 56.400 -0.149 0.000 0.828 452 E CB -0.461 29.157 29.700 -0.135 0.000 0.747 452 E HN 0.479 nan 8.360 nan 0.000 0.491 453 F N 0.888 120.717 119.950 -0.202 0.000 2.262 453 F HA 0.047 4.574 4.527 0.001 0.000 0.292 453 F C 2.266 177.825 175.800 -0.402 0.000 1.081 453 F CA 0.249 58.071 58.000 -0.296 0.000 1.355 453 F CB -0.062 38.832 39.000 -0.178 0.000 1.069 453 F HN -0.037 nan 8.300 nan 0.000 0.506 454 I N -0.584 119.823 120.570 -0.271 0.000 2.179 454 I HA -0.284 3.886 4.170 0.001 0.000 0.242 454 I C 2.136 178.003 176.117 -0.416 0.000 1.088 454 I CA 1.651 62.621 61.300 -0.549 0.000 1.357 454 I CB -1.466 36.113 38.000 -0.702 0.000 1.051 454 I HN 0.070 nan 8.210 nan 0.000 0.409 455 F N 1.033 120.784 119.950 -0.333 0.000 2.699 455 F HA 0.108 4.636 4.527 0.001 0.000 0.298 455 F C 1.927 177.556 175.800 -0.284 0.000 1.154 455 F CA 0.979 58.817 58.000 -0.270 0.000 1.457 455 F CB -0.407 38.417 39.000 -0.294 0.000 1.106 455 F HN 0.325 nan 8.300 nan 0.000 0.585 456 G N -0.210 108.425 108.800 -0.276 0.000 2.136 456 G HA2 -0.315 3.646 3.960 0.001 0.000 0.242 456 G HA3 -0.315 3.646 3.960 0.001 0.000 0.242 456 G C 1.008 175.347 174.900 -0.934 0.000 0.989 456 G CA 0.348 45.181 45.100 -0.445 0.000 0.682 456 G HN 0.310 nan 8.290 nan 0.000 0.522 457 L N 0.548 121.182 121.223 -0.982 0.000 2.081 457 L HA -0.008 4.333 4.340 0.001 0.000 0.212 457 L C 0.384 176.718 176.870 -0.895 0.000 1.080 457 L CA 2.793 56.974 54.840 -1.097 0.000 0.754 457 L CB -0.984 40.694 42.059 -0.636 0.000 0.893 457 L HN 0.217 nan 8.230 nan 0.000 0.433 458 P HA -0.140 nan 4.420 nan 0.000 0.226 458 P C 1.647 178.738 177.300 -0.348 0.000 1.146 458 P CA 1.080 63.648 63.100 -0.888 0.000 0.773 458 P CB -0.005 31.106 31.700 -0.981 0.000 0.772 459 L N -1.645 119.345 121.223 -0.389 0.000 2.395 459 L HA 0.005 4.345 4.340 0.001 0.000 0.218 459 L C 0.997 177.857 176.870 -0.016 0.000 1.130 459 L CA 0.430 55.176 54.840 -0.156 0.000 0.826 459 L CB -0.541 41.466 42.059 -0.086 0.000 0.941 459 L HN -0.060 nan 8.230 nan 0.000 0.451 460 D N 1.255 121.624 120.400 -0.052 0.000 2.352 460 D HA 0.063 4.704 4.640 0.001 0.000 0.245 460 D C -1.363 174.973 176.300 0.060 0.000 1.224 460 D CA -2.340 51.724 54.000 0.107 0.000 0.879 460 D CB 1.258 42.152 40.800 0.156 0.000 1.057 460 D HN -0.055 nan 8.370 nan 0.000 0.491 461 P HA -0.165 nan 4.420 nan 0.000 0.222 461 P C 1.329 178.647 177.300 0.029 0.000 1.147 461 P CA 0.571 63.696 63.100 0.041 0.000 0.790 461 P CB 0.325 32.045 31.700 0.033 0.000 0.780 462 S N -0.594 115.124 115.700 0.030 0.000 2.399 462 S HA -0.075 4.395 4.470 0.001 0.000 0.231 462 S C 1.049 175.643 174.600 -0.009 0.000 1.022 462 S CA 0.385 58.590 58.200 0.010 0.000 0.983 462 S CB -0.937 62.272 63.200 0.016 0.000 0.803 462 S HN 0.039 nan 8.310 nan 0.000 0.480 463 L N 1.958 123.186 121.223 0.007 0.000 2.395 463 L HA 0.324 4.664 4.340 0.001 0.000 0.269 463 L C 0.438 177.269 176.870 -0.065 0.000 1.133 463 L CA -0.400 54.417 54.840 -0.038 0.000 0.812 463 L CB 0.457 42.544 42.059 0.046 0.000 1.125 463 L HN 0.172 nan 8.230 nan 0.000 0.452 464 N N 1.234 119.818 118.700 -0.193 0.000 2.509 464 N HA 0.090 4.830 4.740 0.001 0.000 0.239 464 N C -0.824 174.573 175.510 -0.188 0.000 1.215 464 N CA -0.185 52.766 53.050 -0.164 0.000 0.882 464 N CB -0.097 38.300 38.487 -0.150 0.000 1.189 464 N HN 0.370 nan 8.380 nan 0.000 0.490 465 Y N 0.340 120.618 120.300 -0.037 0.000 2.260 465 Y HA 0.109 4.659 4.550 0.001 0.000 0.339 465 Y C 1.783 177.693 175.900 0.016 0.000 1.317 465 Y CA -0.705 57.392 58.100 -0.005 0.000 1.514 465 Y CB 0.344 38.773 38.460 -0.051 0.000 1.382 465 Y HN 0.003 nan 8.280 nan 0.000 0.581 466 T N -3.617 111.081 114.554 0.239 0.000 2.862 466 T HA 0.161 4.511 4.350 0.001 0.000 0.276 466 T C 0.958 175.731 174.700 0.121 0.000 0.974 466 T CA -0.377 61.810 62.100 0.145 0.000 0.966 466 T CB 1.030 69.980 68.868 0.138 0.000 1.072 466 T HN 0.635 nan 8.240 nan 0.000 0.538 467 T N 0.443 115.046 114.554 0.081 0.000 2.777 467 T HA -0.049 4.302 4.350 0.001 0.000 0.266 467 T C 1.841 176.579 174.700 0.064 0.000 1.040 467 T CA 1.508 63.645 62.100 0.060 0.000 1.141 467 T CB -0.360 68.534 68.868 0.044 0.000 0.868 467 T HN 0.720 nan 8.240 nan 0.000 0.444 468 E N 0.934 121.172 120.200 0.064 0.000 2.085 468 E HA -0.157 4.193 4.350 0.001 0.000 0.194 468 E C 2.309 178.959 176.600 0.083 0.000 0.994 468 E CA 1.046 57.475 56.400 0.050 0.000 0.801 468 E CB -0.091 29.619 29.700 0.016 0.000 0.743 468 E HN 0.591 nan 8.360 nan 0.000 0.453 469 E N 0.323 120.596 120.200 0.122 0.000 2.153 469 E HA -0.186 4.165 4.350 0.001 0.000 0.194 469 E C 2.151 178.844 176.600 0.155 0.000 0.988 469 E CA 0.491 57.026 56.400 0.224 0.000 0.811 469 E CB -0.021 29.886 29.700 0.345 0.000 0.746 469 E HN 0.108 nan 8.360 nan 0.000 0.466 470 R N 0.749 121.286 120.500 0.063 0.000 2.062 470 R HA -0.055 4.285 4.340 0.001 0.000 0.229 470 R C 2.324 178.628 176.300 0.007 0.000 1.128 470 R CA 0.831 56.918 56.100 -0.021 0.000 0.960 470 R CB -0.098 30.197 30.300 -0.008 0.000 0.855 470 R HN 0.148 nan 8.270 nan 0.000 0.432 471 I N 0.483 121.085 120.570 0.054 0.000 2.361 471 I HA -0.283 3.887 4.170 0.001 0.000 0.251 471 I C 2.153 178.328 176.117 0.096 0.000 1.133 471 I CA 0.933 62.267 61.300 0.055 0.000 1.413 471 I CB -0.288 37.749 38.000 0.063 0.000 1.073 471 I HN 0.174 nan 8.210 nan 0.000 0.424 472 F N 1.982 121.911 119.950 -0.036 0.000 2.084 472 F HA -0.169 4.358 4.527 0.001 0.000 0.296 472 F C 2.536 178.334 175.800 -0.003 0.000 1.111 472 F CA 1.266 59.250 58.000 -0.027 0.000 1.224 472 F CB -0.789 38.175 39.000 -0.059 0.000 0.991 472 F HN 0.005 nan 8.300 nan 0.000 0.471 473 A N 0.308 123.089 122.820 -0.066 0.000 1.927 473 A HA -0.303 4.018 4.320 0.001 0.000 0.220 473 A C 2.146 179.586 177.584 -0.240 0.000 1.185 473 A CA 2.211 54.118 52.037 -0.216 0.000 0.639 473 A CB -1.016 17.834 19.000 -0.250 0.000 0.820 473 A HN 0.662 nan 8.150 nan 0.000 0.451 474 Q N -1.236 118.469 119.800 -0.159 0.000 2.020 474 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 474 Q C 2.429 178.314 176.000 -0.193 0.000 0.982 474 Q CA 1.570 57.289 55.803 -0.139 0.000 0.838 474 Q CB -0.248 28.442 28.738 -0.081 0.000 0.899 474 Q HN 0.679 nan 8.270 nan 0.000 0.423 475 R N 0.648 121.016 120.500 -0.220 0.000 2.103 475 R HA -0.146 4.194 4.340 0.001 0.000 0.242 475 R C 2.270 178.224 176.300 -0.575 0.000 1.142 475 R CA 1.214 57.090 56.100 -0.373 0.000 0.960 475 R CB -0.173 29.987 30.300 -0.233 0.000 0.858 475 R HN 0.248 nan 8.270 nan 0.000 0.439 476 L N -0.381 120.605 121.223 -0.395 0.000 2.093 476 L HA -0.158 4.182 4.340 0.001 0.000 0.208 476 L C 2.504 179.296 176.870 -0.130 0.000 1.085 476 L CA 1.200 55.904 54.840 -0.227 0.000 0.755 476 L CB -0.315 41.468 42.059 -0.460 0.000 0.904 476 L HN 0.300 nan 8.230 nan 0.000 0.435 477 M N -0.439 119.037 119.600 -0.207 0.000 2.213 477 M HA -0.205 4.275 4.480 0.001 0.000 0.263 477 M C 2.244 178.539 176.300 -0.008 0.000 1.062 477 M CA 1.547 56.774 55.300 -0.123 0.000 1.105 477 M CB -0.179 32.338 32.600 -0.139 0.000 1.385 477 M HN -0.004 nan 8.290 nan 0.000 0.417 478 K N -0.184 120.170 120.400 -0.077 0.000 2.025 478 K HA -0.136 4.184 4.320 0.001 0.000 0.207 478 K C 1.611 178.265 176.600 0.091 0.000 1.049 478 K CA 1.634 57.891 56.287 -0.050 0.000 0.933 478 K CB -0.330 32.070 32.500 -0.167 0.000 0.714 478 K HN 0.176 nan 8.250 nan 0.000 0.438 479 Y N -0.307 120.113 120.300 0.199 0.000 2.030 479 Y HA -0.289 4.262 4.550 0.001 0.000 0.274 479 Y C 2.325 178.369 175.900 0.240 0.000 1.153 479 Y CA 1.204 59.462 58.100 0.263 0.000 1.115 479 Y CB -1.045 37.715 38.460 0.501 0.000 0.969 479 Y HN 0.224 nan 8.280 nan 0.000 0.488 480 W N 0.636 122.005 121.300 0.115 0.000 2.317 480 W HA -0.297 4.363 4.660 0.001 0.000 0.318 480 W C 2.637 179.173 176.519 0.028 0.000 1.227 480 W CA 2.389 59.750 57.345 0.027 0.000 1.269 480 W CB -0.884 28.535 29.460 -0.068 0.000 1.155 480 W HN 0.265 nan 8.180 nan 0.000 0.484 481 T N -1.504 113.177 114.554 0.212 0.000 2.746 481 T HA -0.211 4.140 4.350 0.001 0.000 0.267 481 T C 1.469 176.203 174.700 0.057 0.000 1.039 481 T CA 1.499 63.648 62.100 0.081 0.000 1.142 481 T CB -0.801 68.090 68.868 0.038 0.000 0.866 481 T HN -0.043 nan 8.240 nan 0.000 0.444 482 N N 0.897 119.646 118.700 0.082 0.000 2.149 482 N HA -0.045 4.696 4.740 0.001 0.000 0.188 482 N C 1.419 176.936 175.510 0.012 0.000 1.019 482 N CA 1.272 54.349 53.050 0.045 0.000 0.857 482 N CB -0.629 37.902 38.487 0.075 0.000 0.997 482 N HN 0.546 nan 8.380 nan 0.000 0.426 483 F N 1.533 121.393 119.950 -0.151 0.000 2.084 483 F HA 0.014 4.542 4.527 0.001 0.000 0.296 483 F C 2.186 177.891 175.800 -0.159 0.000 1.111 483 F CA 1.370 59.226 58.000 -0.241 0.000 1.224 483 F CB -0.557 38.207 39.000 -0.393 0.000 0.991 483 F HN 0.015 nan 8.300 nan 0.000 0.471 484 A N 0.323 123.085 122.820 -0.096 0.000 2.076 484 A HA -0.199 4.122 4.320 0.001 0.000 0.220 484 A C 2.287 179.758 177.584 -0.188 0.000 1.160 484 A CA 1.845 53.777 52.037 -0.174 0.000 0.653 484 A CB -0.850 18.115 19.000 -0.058 0.000 0.801 484 A HN 0.567 nan 8.150 nan 0.000 0.455 485 R N -0.917 119.494 120.500 -0.148 0.000 2.087 485 R HA -0.035 4.306 4.340 0.001 0.000 0.216 485 R C 1.886 178.097 176.300 -0.149 0.000 1.114 485 R CA 1.769 57.799 56.100 -0.117 0.000 1.002 485 R CB -0.062 30.201 30.300 -0.061 0.000 0.903 485 R HN 0.515 nan 8.270 nan 0.000 0.445 486 T N -4.201 110.251 114.554 -0.169 0.000 3.040 486 T HA 0.278 4.628 4.350 0.001 0.000 0.266 486 T C 1.029 175.604 174.700 -0.208 0.000 1.005 486 T CA 0.312 62.321 62.100 -0.152 0.000 0.906 486 T CB 1.133 69.950 68.868 -0.085 0.000 1.082 486 T HN 0.407 nan 8.240 nan 0.000 0.531 487 G N 1.203 109.756 108.800 -0.411 0.000 2.148 487 G HA2 -0.184 3.776 3.960 0.001 0.000 0.254 487 G HA3 -0.184 3.776 3.960 0.001 0.000 0.254 487 G C -0.329 174.473 174.900 -0.165 0.000 0.981 487 G CA 0.222 45.021 45.100 -0.501 0.000 0.670 487 G HN 0.813 nan 8.290 nan 0.000 0.528 488 D N -0.806 119.509 120.400 -0.142 0.000 2.763 488 D HA 0.397 5.037 4.640 0.001 0.000 0.235 488 D C -1.491 174.673 176.300 -0.227 0.000 1.334 488 D CA -1.392 52.479 54.000 -0.216 0.000 0.950 488 D CB 2.013 42.773 40.800 -0.066 0.000 1.433 488 D HN -0.003 nan 8.370 nan 0.000 0.580 489 P HA -0.053 nan 4.420 nan 0.000 0.230 489 P C 0.075 177.380 177.300 0.008 0.000 1.158 489 P CA 0.088 63.020 63.100 -0.279 0.000 0.769 489 P CB 0.436 31.657 31.700 -0.798 0.000 0.807 490 N N 1.084 119.758 118.700 -0.043 0.000 2.508 490 N HA 0.081 4.822 4.740 0.001 0.000 0.264 490 N C 0.199 175.786 175.510 0.128 0.000 1.216 490 N CA 0.327 53.453 53.050 0.126 0.000 0.943 490 N CB 0.238 38.791 38.487 0.109 0.000 1.113 490 N HN 0.094 nan 8.380 nan 0.000 0.447 491 D N 2.218 122.716 120.400 0.163 0.000 2.363 491 D HA 0.101 4.742 4.640 0.001 0.000 0.263 491 D C -1.547 174.801 176.300 0.081 0.000 1.258 491 D CA -1.123 52.942 54.000 0.108 0.000 0.907 491 D CB 0.150 41.014 40.800 0.106 0.000 1.107 491 D HN 0.276 nan 8.370 nan 0.000 0.495 492 P HA -0.130 nan 4.420 nan 0.000 0.202 492 P C 2.437 179.764 177.300 0.044 0.000 1.149 492 P CA 2.535 65.662 63.100 0.044 0.000 0.931 492 P CB 0.142 31.859 31.700 0.028 0.000 0.762 493 R N -0.187 120.335 120.500 0.036 0.000 2.070 493 R HA -0.054 4.287 4.340 0.001 0.000 0.232 493 R C 1.756 178.081 176.300 0.041 0.000 1.138 493 R CA 2.366 58.487 56.100 0.034 0.000 0.936 493 R CB -2.361 27.956 30.300 0.027 0.000 0.839 493 R HN 0.472 nan 8.270 nan 0.000 0.429 494 D N 0.786 121.212 120.400 0.045 0.000 2.551 494 D HA 0.402 5.042 4.640 0.001 0.000 0.248 494 D C 1.000 177.339 176.300 0.065 0.000 1.238 494 D CA 0.395 54.425 54.000 0.051 0.000 1.236 494 D CB -1.163 39.667 40.800 0.051 0.000 1.133 494 D HN 0.933 nan 8.370 nan 0.000 0.504 495 R N 0.484 121.020 120.500 0.060 0.000 4.160 495 R HA 0.480 4.821 4.340 0.001 0.000 0.216 495 R C 2.015 178.357 176.300 0.070 0.000 2.009 495 R CA 1.030 57.170 56.100 0.067 0.000 1.664 495 R CB -1.769 28.565 30.300 0.057 0.000 1.216 495 R HN 0.989 nan 8.270 nan 0.000 0.648 496 K N -0.029 120.416 120.400 0.076 0.000 2.471 496 K HA 0.037 4.357 4.320 0.001 0.000 0.225 496 K C 2.152 178.800 176.600 0.080 0.000 0.720 496 K CA 2.644 58.977 56.287 0.077 0.000 0.918 496 K CB -1.238 31.315 32.500 0.088 0.000 0.405 496 K HN 0.984 nan 8.250 nan 0.000 0.961 497 S N 0.187 115.944 115.700 0.096 0.000 3.600 497 S HA 0.370 4.841 4.470 0.001 0.000 0.179 497 S C -1.860 172.804 174.600 0.106 0.000 0.816 497 S CA 0.323 58.577 58.200 0.090 0.000 0.916 497 S CB -0.199 63.048 63.200 0.078 0.000 1.164 497 S HN 0.657 nan 8.310 nan 0.000 0.709 498 P HA 0.497 nan 4.420 nan 0.000 0.276 498 P C -1.521 175.884 177.300 0.175 0.000 1.253 498 P CA 0.250 63.428 63.100 0.131 0.000 0.766 498 P CB 1.211 32.989 31.700 0.129 0.000 0.845 499 Q N 2.387 122.286 119.800 0.165 0.000 2.271 499 Q HA 0.309 4.649 4.340 0.001 0.000 0.258 499 Q C -1.275 174.889 176.000 0.274 0.000 0.936 499 Q CA -0.285 55.645 55.803 0.210 0.000 0.909 499 Q CB 0.715 29.554 28.738 0.169 0.000 1.253 499 Q HN 0.475 nan 8.270 nan 0.000 0.440 500 W N 8.273 129.632 121.300 0.099 0.000 2.416 500 W HA 0.361 5.021 4.660 0.001 0.000 0.318 500 W C -2.576 174.091 176.519 0.247 0.000 1.150 500 W CA -2.583 54.834 57.345 0.120 0.000 1.392 500 W CB 0.407 29.879 29.460 0.019 0.000 1.311 500 W HN 0.491 nan 8.180 nan 0.000 0.436 501 P HA 0.297 nan 4.420 nan 0.000 0.281 501 P C -2.677 174.795 177.300 0.288 0.000 1.249 501 P CA -1.801 61.511 63.100 0.354 0.000 0.810 501 P CB 1.260 33.083 31.700 0.204 0.000 1.008 502 P HA 0.094 nan 4.420 nan 0.000 0.271 502 P C -0.638 176.645 177.300 -0.027 0.000 1.216 502 P CA 0.061 62.953 63.100 -0.347 0.000 0.776 502 P CB 0.034 31.483 31.700 -0.418 0.000 0.881 503 Y N 3.140 123.399 120.300 -0.070 0.000 2.465 503 Y HA 0.288 4.839 4.550 0.001 0.000 0.331 503 Y C 0.197 176.096 175.900 -0.002 0.000 1.102 503 Y CA 0.553 58.676 58.100 0.039 0.000 1.358 503 Y CB 0.052 38.558 38.460 0.077 0.000 1.213 503 Y HN 0.347 nan 8.280 nan 0.000 0.525 504 T N 0.726 115.000 114.554 -0.468 0.000 2.887 504 T HA 0.236 4.586 4.350 0.001 0.000 0.288 504 T C 0.998 175.415 174.700 -0.473 0.000 1.021 504 T CA -0.233 61.677 62.100 -0.316 0.000 1.000 504 T CB 1.425 70.190 68.868 -0.172 0.000 1.034 504 T HN 0.657 nan 8.240 nan 0.000 0.467 505 T N -0.289 114.131 114.554 -0.223 0.000 2.833 505 T HA -0.029 4.321 4.350 0.001 0.000 0.269 505 T C 2.187 176.813 174.700 -0.124 0.000 1.054 505 T CA 0.845 62.859 62.100 -0.143 0.000 1.135 505 T CB -0.679 68.179 68.868 -0.017 0.000 0.869 505 T HN 0.802 nan 8.240 nan 0.000 0.466 506 A N 2.159 124.914 122.820 -0.109 0.000 1.825 506 A HA 0.412 4.732 4.320 0.001 0.000 0.214 506 A C 2.781 180.317 177.584 -0.080 0.000 1.206 506 A CA 1.767 53.762 52.037 -0.070 0.000 0.609 506 A CB -1.409 17.561 19.000 -0.051 0.000 0.851 506 A HN 0.718 nan 8.150 nan 0.000 0.445 507 A N -2.251 120.503 122.820 -0.109 0.000 2.021 507 A HA 0.177 4.498 4.320 0.001 0.000 0.216 507 A C 1.048 178.567 177.584 -0.109 0.000 1.163 507 A CA 1.039 53.025 52.037 -0.085 0.000 0.676 507 A CB -0.381 18.582 19.000 -0.063 0.000 0.818 507 A HN 0.620 nan 8.150 nan 0.000 0.453 508 Q N -0.417 119.210 119.800 -0.289 0.000 2.453 508 Q HA -0.223 4.117 4.340 0.001 0.000 0.294 508 Q C -0.607 175.427 176.000 0.055 0.000 1.295 508 Q CA 0.870 56.454 55.803 -0.365 0.000 0.853 508 Q CB -1.753 26.966 28.738 -0.031 0.000 1.193 508 Q HN 0.951 nan 8.270 nan 0.000 0.461 509 Q N 0.213 120.035 119.800 0.038 0.000 2.259 509 Q HA 0.596 4.936 4.340 0.001 0.000 0.249 509 Q C -0.174 176.076 176.000 0.416 0.000 0.914 509 Q CA -0.486 55.423 55.803 0.177 0.000 0.904 509 Q CB 0.780 29.552 28.738 0.056 0.000 1.213 509 Q HN 0.326 nan 8.270 nan 0.000 0.428 510 Y N -1.545 118.882 120.300 0.212 0.000 2.689 510 Y HA 0.754 5.305 4.550 0.001 0.000 0.333 510 Y C -1.121 174.768 175.900 -0.019 0.000 1.190 510 Y CA -1.480 56.726 58.100 0.177 0.000 1.063 510 Y CB 0.763 39.324 38.460 0.168 0.000 1.294 510 Y HN 0.527 nan 8.280 nan 0.000 0.466 511 V N -0.886 118.948 119.914 -0.133 0.000 3.046 511 V HA 0.832 4.953 4.120 0.001 0.000 0.316 511 V C -0.385 175.648 176.094 -0.102 0.000 1.104 511 V CA -0.679 61.410 62.300 -0.352 0.000 1.006 511 V CB 1.430 32.774 31.823 -0.798 0.000 1.058 511 V HN 1.202 nan 8.190 nan 0.000 0.440 512 S N 2.622 118.262 115.700 -0.100 0.000 2.410 512 S HA 0.652 5.123 4.470 0.001 0.000 0.304 512 S C -0.694 173.920 174.600 0.025 0.000 1.095 512 S CA -0.491 57.723 58.200 0.023 0.000 1.089 512 S CB 0.673 63.878 63.200 0.009 0.000 0.968 512 S HN 0.672 nan 8.310 nan 0.000 0.480 513 L N 4.957 126.247 121.223 0.112 0.000 2.288 513 L HA 0.507 4.847 4.340 0.001 0.000 0.283 513 L C -0.061 176.876 176.870 0.112 0.000 1.072 513 L CA 0.207 55.176 54.840 0.215 0.000 0.862 513 L CB -0.539 41.735 42.059 0.359 0.000 1.245 513 L HN 0.999 nan 8.230 nan 0.000 0.432 514 N N 1.354 120.093 118.700 0.066 0.000 3.204 514 N HA 0.381 5.122 4.740 0.001 0.000 0.285 514 N C 0.436 175.634 175.510 -0.520 0.000 1.536 514 N CA -0.902 51.970 53.050 -0.297 0.000 0.832 514 N CB 0.532 38.912 38.487 -0.179 0.000 1.645 514 N HN 0.095 nan 8.380 nan 0.000 0.586 515 L N -0.838 120.008 121.223 -0.629 0.000 2.131 515 L HA 0.026 4.367 4.340 0.001 0.000 0.210 515 L C 0.787 177.549 176.870 -0.179 0.000 1.092 515 L CA 1.109 55.638 54.840 -0.519 0.000 0.759 515 L CB -0.443 41.400 42.059 -0.361 0.000 0.903 515 L HN 0.443 nan 8.230 nan 0.000 0.435 516 K N -0.098 120.238 120.400 -0.106 0.000 2.120 516 K HA 0.222 4.543 4.320 0.001 0.000 0.245 516 K C -2.103 174.513 176.600 0.026 0.000 1.024 516 K CA -1.779 54.492 56.287 -0.027 0.000 0.906 516 K CB -0.024 32.464 32.500 -0.021 0.000 1.051 516 K HN -0.198 nan 8.250 nan 0.000 0.491 517 P HA -0.035 nan 4.420 nan 0.000 0.271 517 P C -0.374 176.973 177.300 0.078 0.000 1.238 517 P CA -0.079 63.073 63.100 0.087 0.000 0.794 517 P CB 0.394 32.136 31.700 0.071 0.000 0.959 518 L N 0.919 122.204 121.223 0.103 0.000 2.485 518 L HA 0.050 4.391 4.340 0.001 0.000 0.275 518 L C 0.958 177.827 176.870 -0.001 0.000 1.207 518 L CA 0.804 55.666 54.840 0.038 0.000 0.855 518 L CB -0.100 41.977 42.059 0.029 0.000 1.114 518 L HN 0.448 nan 8.230 nan 0.000 0.485 519 E N 1.963 122.132 120.200 -0.052 0.000 2.234 519 E HA 0.379 4.730 4.350 0.001 0.000 0.266 519 E C -1.431 175.091 176.600 -0.131 0.000 0.877 519 E CA -0.715 55.648 56.400 -0.062 0.000 0.758 519 E CB 2.220 31.891 29.700 -0.047 0.000 1.170 519 E HN 0.261 nan 8.360 nan 0.000 0.415 520 V N 4.703 124.546 119.914 -0.118 0.000 2.498 520 V HA 0.432 4.552 4.120 0.001 0.000 0.279 520 V C 0.089 176.035 176.094 -0.246 0.000 1.048 520 V CA -0.193 62.002 62.300 -0.174 0.000 0.967 520 V CB 1.152 32.926 31.823 -0.082 0.000 0.988 520 V HN 0.639 nan 8.190 nan 0.000 0.473 521 R N 4.141 124.348 120.500 -0.488 0.000 2.686 521 R HA 0.640 4.980 4.340 0.001 0.000 0.286 521 R C -0.910 175.094 176.300 -0.493 0.000 0.969 521 R CA -0.920 54.848 56.100 -0.554 0.000 0.898 521 R CB 2.660 32.477 30.300 -0.806 0.000 1.183 521 R HN 0.632 nan 8.270 nan 0.000 0.456 522 R N 0.743 121.172 120.500 -0.118 0.000 2.393 522 R HA 0.510 4.851 4.340 0.001 0.000 0.310 522 R C -0.253 176.196 176.300 0.247 0.000 0.968 522 R CA -0.608 55.534 56.100 0.070 0.000 0.867 522 R CB 1.883 32.205 30.300 0.036 0.000 1.124 522 R HN 0.886 nan 8.270 nan 0.000 0.450 523 G N 2.382 111.397 108.800 0.359 0.000 3.316 523 G HA2 -0.219 3.742 3.960 0.001 0.000 0.445 523 G HA3 -0.219 3.742 3.960 0.001 0.000 0.445 523 G C -0.936 174.204 174.900 0.400 0.000 1.002 523 G CA -0.850 44.450 45.100 0.333 0.000 0.818 523 G HN 0.448 nan 8.290 nan 0.000 0.404 524 L N 4.039 125.407 121.223 0.241 0.000 2.334 524 L HA 0.586 4.927 4.340 0.001 0.000 0.286 524 L C 1.497 178.387 176.870 0.034 0.000 1.108 524 L CA -0.386 54.401 54.840 -0.088 0.000 0.875 524 L CB -0.064 41.809 42.059 -0.309 0.000 1.246 524 L HN 0.680 nan 8.230 nan 0.000 0.439 525 R N 2.964 123.521 120.500 0.095 0.000 3.416 525 R HA -0.282 4.058 4.340 0.001 0.000 0.263 525 R C 1.312 177.714 176.300 0.169 0.000 1.053 525 R CA 0.689 56.878 56.100 0.149 0.000 0.705 525 R CB -2.146 28.247 30.300 0.154 0.000 1.124 525 R HN 0.845 nan 8.270 nan 0.000 0.444 526 A N 0.660 123.578 122.820 0.164 0.000 1.859 526 A HA -0.315 4.006 4.320 0.001 0.000 0.218 526 A C 2.010 179.687 177.584 0.155 0.000 1.209 526 A CA 1.989 54.120 52.037 0.158 0.000 0.639 526 A CB -0.298 18.791 19.000 0.148 0.000 0.835 526 A HN 0.471 nan 8.150 nan 0.000 0.450 527 Q N -0.987 118.904 119.800 0.151 0.000 2.124 527 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 527 Q C 2.243 178.348 176.000 0.175 0.000 0.977 527 Q CA 2.213 58.104 55.803 0.146 0.000 0.850 527 Q CB -0.648 28.171 28.738 0.134 0.000 0.901 527 Q HN 0.733 nan 8.270 nan 0.000 0.429 528 T N -1.094 113.603 114.554 0.238 0.000 2.857 528 T HA -0.102 4.248 4.350 0.001 0.000 0.266 528 T C 1.837 176.758 174.700 0.367 0.000 1.048 528 T CA 1.118 63.397 62.100 0.297 0.000 1.139 528 T CB -0.381 68.761 68.868 0.457 0.000 0.874 528 T HN 0.345 nan 8.240 nan 0.000 0.455 529 c N 1.649 120.446 118.600 0.328 0.000 2.446 529 c HA 0.249 4.820 4.570 0.001 0.000 0.279 529 c C 3.149 177.380 174.090 0.234 0.000 1.366 529 c CA 0.106 56.629 56.329 0.325 0.000 1.763 529 c CB -1.327 41.309 42.510 0.211 0.000 1.929 529 c HN 0.643 nan 8.230 nan 0.000 0.509 530 A N -0.058 122.866 122.820 0.173 0.000 1.969 530 A HA -0.158 4.162 4.320 0.001 0.000 0.218 530 A C 1.844 179.486 177.584 0.096 0.000 1.169 530 A CA 1.421 53.530 52.037 0.121 0.000 0.635 530 A CB -0.709 18.352 19.000 0.102 0.000 0.810 530 A HN 0.578 nan 8.150 nan 0.000 0.445 531 F N -0.900 119.010 119.950 -0.066 0.000 2.113 531 F HA -0.112 4.415 4.527 0.001 0.000 0.297 531 F C 1.866 177.581 175.800 -0.141 0.000 1.103 531 F CA 1.460 59.332 58.000 -0.213 0.000 1.248 531 F CB -0.493 38.109 39.000 -0.663 0.000 0.999 531 F HN 0.361 nan 8.300 nan 0.000 0.475 532 W N 0.850 121.997 121.300 -0.255 0.000 2.407 532 W HA -0.116 4.544 4.660 0.001 0.000 0.305 532 W C 2.405 178.795 176.519 -0.215 0.000 1.196 532 W CA 1.035 58.200 57.345 -0.300 0.000 1.311 532 W CB -0.690 28.768 29.460 -0.003 0.000 1.135 532 W HN -0.062 nan 8.180 nan 0.000 0.514 533 N N 0.195 118.980 118.700 0.141 0.000 2.109 533 N HA -0.069 4.671 4.740 0.001 0.000 0.188 533 N C 1.669 177.182 175.510 0.005 0.000 1.034 533 N CA 1.416 54.506 53.050 0.067 0.000 0.846 533 N CB -0.637 37.900 38.487 0.082 0.000 1.010 533 N HN 0.218 nan 8.380 nan 0.000 0.425 534 R N -0.765 119.741 120.500 0.011 0.000 2.064 534 R HA 0.103 4.444 4.340 0.001 0.000 0.221 534 R C 1.958 178.253 176.300 -0.010 0.000 1.136 534 R CA 0.633 56.741 56.100 0.014 0.000 0.980 534 R CB -0.430 29.906 30.300 0.059 0.000 0.876 534 R HN 0.164 nan 8.270 nan 0.000 0.437 535 F N 1.399 121.243 119.950 -0.175 0.000 2.188 535 F HA 0.051 4.578 4.527 0.001 0.000 0.289 535 F C 2.075 177.698 175.800 -0.295 0.000 1.082 535 F CA 0.743 58.623 58.000 -0.199 0.000 1.282 535 F CB -0.299 38.613 39.000 -0.147 0.000 1.060 535 F HN -0.143 nan 8.300 nan 0.000 0.493 536 L N 1.757 122.617 121.223 -0.605 0.000 2.089 536 L HA -0.185 4.155 4.340 0.001 0.000 0.213 536 L C -0.592 175.990 176.870 -0.480 0.000 1.079 536 L CA 2.208 56.621 54.840 -0.713 0.000 0.758 536 L CB -1.971 39.510 42.059 -0.964 0.000 0.891 536 L HN 0.163 nan 8.230 nan 0.000 0.433 537 P HA -0.163 nan 4.420 nan 0.000 0.217 537 P C 1.284 178.431 177.300 -0.256 0.000 1.151 537 P CA 1.384 64.349 63.100 -0.225 0.000 0.828 537 P CB -0.038 31.577 31.700 -0.141 0.000 0.788 538 K N -0.130 120.067 120.400 -0.338 0.000 2.025 538 K HA -0.060 4.260 4.320 0.001 0.000 0.207 538 K C 2.360 178.747 176.600 -0.355 0.000 1.049 538 K CA 0.871 56.973 56.287 -0.308 0.000 0.933 538 K CB -0.791 31.517 32.500 -0.320 0.000 0.714 538 K HN 0.093 nan 8.250 nan 0.000 0.438 539 L N 1.104 121.975 121.223 -0.586 0.000 2.083 539 L HA -0.189 4.152 4.340 0.001 0.000 0.209 539 L C 2.123 178.842 176.870 -0.251 0.000 1.083 539 L CA 0.790 55.356 54.840 -0.456 0.000 0.752 539 L CB -0.112 41.588 42.059 -0.599 0.000 0.899 539 L HN 0.214 nan 8.230 nan 0.000 0.433 540 L N -0.216 120.859 121.223 -0.246 0.000 2.017 540 L HA -0.201 4.139 4.340 0.001 0.000 0.208 540 L C 2.981 179.784 176.870 -0.112 0.000 1.073 540 L CA 2.344 57.095 54.840 -0.148 0.000 0.745 540 L CB -1.309 40.671 42.059 -0.133 0.000 0.894 540 L HN 0.470 nan 8.230 nan 0.000 0.432 541 S N -0.741 114.886 115.700 -0.122 0.000 2.383 541 S HA -0.104 4.366 4.470 0.001 0.000 0.227 541 S C 2.146 176.699 174.600 -0.079 0.000 1.026 541 S CA 0.874 59.020 58.200 -0.090 0.000 0.981 541 S CB -0.541 62.606 63.200 -0.088 0.000 0.818 541 S HN 0.353 nan 8.310 nan 0.000 0.472 542 A N 2.130 124.893 122.820 -0.096 0.000 1.902 542 A HA -0.044 4.276 4.320 0.001 0.000 0.217 542 A C 2.429 179.981 177.584 -0.054 0.000 1.181 542 A CA 2.043 54.036 52.037 -0.073 0.000 0.623 542 A CB -1.410 17.540 19.000 -0.083 0.000 0.818 542 A HN 0.801 nan 8.150 nan 0.000 0.443 543 T N -2.997 111.522 114.554 -0.058 0.000 3.122 543 T HA 0.421 4.772 4.350 0.001 0.000 0.250 543 T C 0.492 175.171 174.700 -0.035 0.000 1.067 543 T CA 0.712 62.789 62.100 -0.039 0.000 0.966 543 T CB -1.183 67.665 68.868 -0.034 0.000 1.002 543 T HN 0.598 nan 8.240 nan 0.000 0.542 544 D N 1.862 122.237 120.400 -0.042 0.000 2.390 544 D HA 0.367 5.007 4.640 0.001 0.000 0.236 544 D C 0.803 177.087 176.300 -0.027 0.000 1.189 544 D CA 0.388 54.367 54.000 -0.036 0.000 0.887 544 D CB -0.676 40.100 40.800 -0.041 0.000 1.198 544 D HN 0.434 nan 8.370 nan 0.000 0.444 545 T N 0.000 114.540 114.554 -0.023 0.000 3.816 545 T HA 0.000 4.350 4.350 0.001 0.000 0.228 545 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 545 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 545 T HN 0.000 nan 8.240 nan 0.000 0.658