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 1qfx_1_B DATA FIRST_RESID 14 DATA SEQUENCE KQFSQEFRDG YSILKHYGGN GPYSERVSYG IARDPPTScE VDQVIMVKRH DATA SEQUENCE GERYPSPSAG KDIEEALAKV YSIXXTEYKG DLAFLNDWTY YVPNEcYYNA DATA SEQUENCE ETTSGPYAGL LDAYNHGNDY KARYGHLWNG ETVVPFFSSG YGRVIETARK DATA SEQUENCE FGEGFFGYNY STNAALNIIS ESEVMGADSL TPTcDTDNXX TTcDNLTYQL DATA SEQUENCE PQFKVAAARL NSQNPGMNLT ASDVYNLMVM ASFELNARPF SNWINAFTQD DATA SEQUENCE EWVSFGYVED LNYYYcAGPG DKNMAAVGAV YANASLTLLN QGPKEAGSLF DATA SEQUENCE FNFAHDTNIT PILAALGVLI PNEDLPLDRV AFGNPYSIGN IVPMGGHLTI DATA SEQUENCE ERLScQATAL SDEGTYVRLV LNEAVLPFND cTSGPGYScP LANYTSILNK DATA SEQUENCE NLPDYTTTcN VSASYPQYLS FWWNYNTTTE LNYRSSPIAc QEGDAMD 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 14 K HA 0.000 nan 4.320 nan 0.000 0.191 14 K C 0.000 176.550 176.600 -0.083 0.000 0.988 14 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 14 K CB 0.000 32.510 32.500 0.017 0.000 1.064 15 Q N 0.037 119.762 119.800 -0.125 0.000 2.123 15 Q HA 0.136 4.476 4.340 0.000 0.000 0.199 15 Q C -0.748 174.861 176.000 -0.652 0.000 0.966 15 Q CA 1.218 56.776 55.803 -0.408 0.000 0.845 15 Q CB 0.167 28.622 28.738 -0.472 0.000 0.907 15 Q HN 0.456 nan 8.270 nan 0.000 0.439 16 F N -0.900 119.069 119.950 0.031 0.000 2.565 16 F HA 0.336 4.863 4.527 0.000 0.000 0.313 16 F C -0.188 175.636 175.800 0.041 0.000 1.091 16 F CA -1.070 56.955 58.000 0.041 0.000 0.915 16 F CB 1.845 40.893 39.000 0.080 0.000 1.208 16 F HN -0.280 nan 8.300 nan 0.000 0.453 17 S N 0.840 116.656 115.700 0.193 0.000 2.565 17 S HA 0.172 4.642 4.470 0.000 0.000 0.276 17 S C 0.474 175.173 174.600 0.164 0.000 1.326 17 S CA -0.290 57.964 58.200 0.090 0.000 1.045 17 S CB 0.946 64.125 63.200 -0.034 0.000 0.918 17 S HN 0.778 nan 8.310 nan 0.000 0.505 18 Q N 1.689 121.593 119.800 0.173 0.000 2.360 18 Q HA 0.157 4.497 4.340 0.000 0.000 0.202 18 Q C -0.283 175.924 176.000 0.345 0.000 0.915 18 Q CA 0.325 56.303 55.803 0.292 0.000 0.943 18 Q CB 0.376 29.226 28.738 0.187 0.000 1.064 18 Q HN 0.702 nan 8.270 nan 0.000 0.511 19 E N 0.357 120.640 120.200 0.139 0.000 2.227 19 E HA 0.233 4.583 4.350 0.000 0.000 0.282 19 E C -1.083 175.465 176.600 -0.086 0.000 1.015 19 E CA -0.223 56.242 56.400 0.109 0.000 0.823 19 E CB 0.838 30.550 29.700 0.019 0.000 1.081 19 E HN 0.006 nan 8.360 nan 0.000 0.396 20 F N 2.320 122.314 119.950 0.074 0.000 2.552 20 F HA 0.279 4.806 4.527 0.000 0.000 0.369 20 F C 0.845 176.717 175.800 0.120 0.000 1.112 20 F CA -0.631 57.411 58.000 0.070 0.000 1.129 20 F CB 0.792 39.815 39.000 0.038 0.000 1.360 20 F HN 0.261 nan 8.300 nan 0.000 0.473 21 R N 0.119 120.705 120.500 0.144 0.000 2.334 21 R HA 0.093 4.433 4.340 0.000 0.000 0.212 21 R C 0.923 177.345 176.300 0.204 0.000 0.897 21 R CA 0.170 56.428 56.100 0.264 0.000 1.056 21 R CB -0.012 30.388 30.300 0.167 0.000 1.046 21 R HN 0.412 nan 8.270 nan 0.000 0.513 22 D N 0.990 121.440 120.400 0.082 0.000 2.172 22 D HA -0.144 4.496 4.640 0.000 0.000 0.196 22 D C 1.817 178.125 176.300 0.012 0.000 0.999 22 D CA 1.813 55.831 54.000 0.029 0.000 0.856 22 D CB -0.325 40.471 40.800 -0.007 0.000 0.934 22 D HN 0.367 nan 8.370 nan 0.000 0.453 23 G N -0.885 107.901 108.800 -0.023 0.000 2.470 23 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 23 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 23 G C 1.141 176.016 174.900 -0.041 0.000 1.121 23 G CA 0.389 45.430 45.100 -0.098 0.000 0.766 23 G HN 0.317 nan 8.290 nan 0.000 0.553 24 Y N 0.793 121.164 120.300 0.118 0.000 2.519 24 Y HA 0.254 4.804 4.550 0.000 0.000 0.287 24 Y C 2.017 177.985 175.900 0.113 0.000 1.128 24 Y CA -0.172 58.001 58.100 0.123 0.000 1.282 24 Y CB -0.136 38.363 38.460 0.065 0.000 1.027 24 Y HN 0.098 nan 8.280 nan 0.000 0.551 25 S N 0.931 116.737 115.700 0.176 0.000 2.544 25 S HA -0.024 4.446 4.470 0.000 0.000 0.290 25 S C 1.418 176.026 174.600 0.013 0.000 1.276 25 S CA -0.422 57.807 58.200 0.049 0.000 1.075 25 S CB 0.033 63.208 63.200 -0.041 0.000 0.849 25 S HN 0.215 nan 8.310 nan 0.000 0.494 26 I N 5.800 126.319 120.570 -0.085 0.000 2.567 26 I HA -0.135 4.035 4.170 0.000 0.000 0.257 26 I C 1.983 177.766 176.117 -0.556 0.000 1.184 26 I CA 1.034 62.181 61.300 -0.255 0.000 1.451 26 I CB -1.269 36.436 38.000 -0.491 0.000 1.089 26 I HN 0.709 nan 8.210 nan 0.000 0.441 27 L N 0.368 121.291 121.223 -0.499 0.000 2.261 27 L HA -0.179 4.161 4.340 0.000 0.000 0.216 27 L C 1.709 178.019 176.870 -0.934 0.000 1.114 27 L CA 1.087 55.476 54.840 -0.752 0.000 0.777 27 L CB -0.601 41.274 42.059 -0.307 0.000 0.910 27 L HN 0.192 nan 8.230 nan 0.000 0.440 28 K N -0.956 119.046 120.400 -0.663 0.000 2.410 28 K HA 0.145 4.465 4.320 0.000 0.000 0.200 28 K C 0.310 176.411 176.600 -0.832 0.000 1.023 28 K CA 0.264 56.151 56.287 -0.667 0.000 1.149 28 K CB 0.216 32.375 32.500 -0.569 0.000 0.859 28 K HN 0.345 nan 8.250 nan 0.000 0.514 29 H N -0.216 118.621 119.070 -0.388 0.000 2.637 29 H HA 0.101 4.657 4.556 0.000 0.000 0.245 29 H C -0.494 174.979 175.328 0.243 0.000 1.190 29 H CA -0.151 55.880 56.048 -0.029 0.000 0.934 29 H CB 0.321 30.162 29.762 0.132 0.000 1.950 29 H HN 0.128 nan 8.280 nan 0.000 0.614 30 Y N -1.787 118.686 120.300 0.288 0.000 2.712 30 Y HA 0.495 5.045 4.550 0.000 0.000 0.250 30 Y C 0.985 176.994 175.900 0.181 0.000 1.101 30 Y CA -1.266 57.099 58.100 0.442 0.000 1.118 30 Y CB -0.215 38.504 38.460 0.432 0.000 1.203 30 Y HN 0.230 nan 8.280 nan 0.000 0.587 31 G N 1.650 110.623 108.800 0.289 0.000 2.622 31 G HA2 -0.277 3.683 3.960 0.000 0.000 0.307 31 G HA3 -0.277 3.683 3.960 0.000 0.000 0.307 31 G C 1.007 176.031 174.900 0.207 0.000 1.226 31 G CA 0.525 45.751 45.100 0.208 0.000 0.997 31 G HN 1.250 nan 8.290 nan 0.000 0.551 32 G N -0.146 108.793 108.800 0.232 0.000 3.575 32 G HA2 0.392 4.352 3.960 0.000 0.000 0.273 32 G HA3 0.392 4.352 3.960 0.000 0.000 0.273 32 G C 1.020 175.925 174.900 0.009 0.000 1.053 32 G CA 1.101 46.267 45.100 0.110 0.000 0.803 32 G HN 0.486 nan 8.290 nan 0.000 0.528 33 N N 1.018 119.635 118.700 -0.138 0.000 2.216 33 N HA 0.012 4.752 4.740 0.000 0.000 0.183 33 N C 1.489 176.381 175.510 -1.031 0.000 1.017 33 N CA 0.940 53.583 53.050 -0.678 0.000 0.861 33 N CB 0.178 38.282 38.487 -0.639 0.000 0.986 33 N HN 0.342 nan 8.380 nan 0.000 0.428 34 G N 0.472 108.520 108.800 -1.253 0.000 2.642 34 G HA2 0.464 4.424 3.960 0.000 0.000 0.291 34 G HA3 0.464 4.424 3.960 0.000 0.000 0.291 34 G C -2.635 171.952 174.900 -0.523 0.000 1.345 34 G CA -1.152 43.200 45.100 -1.247 0.000 1.043 34 G HN -0.075 nan 8.290 nan 0.000 0.528 35 P HA -0.028 nan 4.420 nan 0.000 0.267 35 P C -0.637 176.685 177.300 0.036 0.000 1.195 35 P CA 0.120 63.127 63.100 -0.155 0.000 0.773 35 P CB 0.194 31.607 31.700 -0.478 0.000 0.837 36 Y N 2.325 122.629 120.300 0.006 0.000 2.480 36 Y HA 0.303 4.853 4.550 -0.000 0.000 0.338 36 Y C 0.260 176.164 175.900 0.007 0.000 1.220 36 Y CA 0.688 58.791 58.100 0.006 0.000 1.430 36 Y CB 0.419 38.892 38.460 0.021 0.000 1.311 36 Y HN 0.457 nan 8.280 nan 0.000 0.575 37 S N 3.442 118.495 115.700 -1.079 0.000 2.541 37 S HA 0.416 4.886 4.470 0.000 0.000 0.271 37 S C -1.465 172.534 174.600 -1.000 0.000 1.133 37 S CA -1.251 56.494 58.200 -0.759 0.000 0.876 37 S CB 1.379 64.344 63.200 -0.390 0.000 1.105 37 S HN 0.747 nan 8.310 nan 0.000 0.470 38 E N 1.356 121.248 120.200 -0.513 0.000 2.384 38 E HA 0.134 4.484 4.350 0.000 0.000 0.266 38 E C 0.315 176.745 176.600 -0.284 0.000 1.012 38 E CA -0.249 55.973 56.400 -0.298 0.000 0.901 38 E CB 0.608 30.248 29.700 -0.099 0.000 0.967 38 E HN 0.520 nan 8.360 nan 0.000 0.435 39 R N 2.389 122.741 120.500 -0.246 0.000 2.590 39 R HA 0.054 4.394 4.340 0.000 0.000 0.274 39 R C -0.598 175.581 176.300 -0.201 0.000 1.061 39 R CA -0.467 55.493 56.100 -0.235 0.000 1.081 39 R CB 0.549 30.722 30.300 -0.213 0.000 0.984 39 R HN 0.286 nan 8.270 nan 0.000 0.448 40 V N 3.968 123.752 119.914 -0.218 0.000 2.540 40 V HA -0.062 4.058 4.120 0.000 0.000 0.297 40 V C 0.667 176.605 176.094 -0.260 0.000 1.024 40 V CA 0.630 62.811 62.300 -0.199 0.000 1.105 40 V CB 1.073 32.782 31.823 -0.189 0.000 0.938 40 V HN 0.818 nan 8.190 nan 0.000 0.482 41 S N 3.965 119.557 115.700 -0.181 0.000 2.584 41 S HA 0.312 4.782 4.470 0.000 0.000 0.273 41 S C 0.445 174.943 174.600 -0.170 0.000 1.311 41 S CA -0.405 57.692 58.200 -0.172 0.000 1.034 41 S CB 0.416 63.586 63.200 -0.049 0.000 0.939 41 S HN 0.554 nan 8.310 nan 0.000 0.513 42 Y N 2.289 122.574 120.300 -0.025 0.000 2.511 42 Y HA 0.255 4.805 4.550 0.000 0.000 0.279 42 Y C 2.028 177.901 175.900 -0.046 0.000 1.157 42 Y CA 0.397 58.468 58.100 -0.049 0.000 1.300 42 Y CB -0.098 38.312 38.460 -0.083 0.000 1.052 42 Y HN 0.973 nan 8.280 nan 0.000 0.529 43 G N -0.096 108.765 108.800 0.102 0.000 2.201 43 G HA2 -0.242 3.718 3.960 0.000 0.000 0.212 43 G HA3 -0.242 3.718 3.960 0.000 0.000 0.212 43 G C 0.199 175.152 174.900 0.088 0.000 0.994 43 G CA -0.190 44.956 45.100 0.078 0.000 0.644 43 G HN 0.199 nan 8.290 nan 0.000 0.508 44 I N 2.271 122.903 120.570 0.104 0.000 2.618 44 I HA 0.397 4.567 4.170 0.000 0.000 0.284 44 I C 1.373 177.567 176.117 0.129 0.000 1.146 44 I CA 0.150 61.537 61.300 0.144 0.000 1.425 44 I CB 1.081 39.181 38.000 0.167 0.000 1.383 44 I HN 0.362 nan 8.210 nan 0.000 0.562 45 A N 5.835 128.733 122.820 0.130 0.000 2.520 45 A HA 0.045 4.365 4.320 0.000 0.000 0.245 45 A C 1.385 179.023 177.584 0.088 0.000 1.072 45 A CA -0.205 51.888 52.037 0.093 0.000 0.761 45 A CB 0.190 19.236 19.000 0.076 0.000 1.004 45 A HN 0.861 nan 8.150 nan 0.000 0.499 46 R N 1.690 122.234 120.500 0.072 0.000 2.115 46 R HA -0.059 4.281 4.340 0.000 0.000 0.230 46 R C -0.037 176.299 176.300 0.059 0.000 1.111 46 R CA 1.535 57.679 56.100 0.072 0.000 0.976 46 R CB -0.125 30.214 30.300 0.065 0.000 0.870 46 R HN 0.794 nan 8.270 nan 0.000 0.445 47 D N 1.048 121.470 120.400 0.038 0.000 2.358 47 D HA 0.153 4.793 4.640 0.000 0.000 0.244 47 D C -2.231 174.086 176.300 0.029 0.000 1.163 47 D CA -1.605 52.407 54.000 0.019 0.000 0.945 47 D CB 0.247 41.045 40.800 -0.002 0.000 1.152 47 D HN 0.067 nan 8.370 nan 0.000 0.451 48 P HA 0.144 nan 4.420 nan 0.000 0.265 48 P C -2.365 174.937 177.300 0.003 0.000 1.193 48 P CA -0.645 62.470 63.100 0.025 0.000 0.765 48 P CB -0.168 31.547 31.700 0.024 0.000 0.823 49 P HA 0.021 nan 4.420 nan 0.000 0.269 49 P C -0.184 177.096 177.300 -0.033 0.000 1.217 49 P CA 0.215 63.296 63.100 -0.031 0.000 0.783 49 P CB 0.157 31.815 31.700 -0.070 0.000 0.898 50 T N 1.659 116.192 114.554 -0.035 0.000 2.928 50 T HA 0.104 4.454 4.350 0.000 0.000 0.305 50 T C 0.880 175.558 174.700 -0.036 0.000 1.035 50 T CA 1.021 63.103 62.100 -0.031 0.000 1.145 50 T CB -0.316 68.535 68.868 -0.028 0.000 0.963 50 T HN 0.525 nan 8.240 nan 0.000 0.545 51 S N -0.673 115.012 115.700 -0.025 0.000 2.659 51 S HA -0.157 4.313 4.470 0.000 0.000 0.264 51 S C 0.393 174.989 174.600 -0.007 0.000 1.310 51 S CA 0.700 58.889 58.200 -0.018 0.000 1.262 51 S CB -1.613 61.571 63.200 -0.026 0.000 1.548 51 S HN 0.869 nan 8.310 nan 0.000 0.657 52 c N 1.698 120.293 118.600 -0.010 0.000 2.848 52 c HA 0.845 5.415 4.570 0.000 0.000 0.317 52 c C -0.140 173.958 174.090 0.012 0.000 1.260 52 c CA -0.736 55.600 56.329 0.011 0.000 1.656 52 c CB 1.758 44.271 42.510 0.006 0.000 2.174 52 c HN 0.696 nan 8.230 nan 0.000 0.479 53 E N -0.384 119.837 120.200 0.036 0.000 2.372 53 E HA 0.579 4.929 4.350 0.000 0.000 0.279 53 E C -1.845 174.815 176.600 0.100 0.000 0.946 53 E CA -0.694 55.729 56.400 0.039 0.000 0.769 53 E CB 1.088 30.786 29.700 -0.003 0.000 1.230 53 E HN 0.272 nan 8.360 nan 0.000 0.442 54 V N 2.633 122.646 119.914 0.164 0.000 2.508 54 V HA 0.067 4.187 4.120 0.000 0.000 0.281 54 V C 0.195 176.430 176.094 0.236 0.000 1.041 54 V CA 0.350 62.772 62.300 0.203 0.000 1.016 54 V CB 0.694 32.694 31.823 0.295 0.000 0.984 54 V HN 0.892 nan 8.190 nan 0.000 0.478 55 D N 2.461 122.935 120.400 0.124 0.000 2.433 55 D HA 0.117 4.757 4.640 0.000 0.000 0.211 55 D C 0.331 176.645 176.300 0.024 0.000 1.114 55 D CA -0.018 54.040 54.000 0.096 0.000 0.837 55 D CB 0.574 41.420 40.800 0.078 0.000 0.984 55 D HN 0.578 nan 8.370 nan 0.000 0.505 56 Q N 0.088 119.876 119.800 -0.019 0.000 2.403 56 Q HA 0.455 4.795 4.340 0.000 0.000 0.267 56 Q C -2.276 173.634 176.000 -0.151 0.000 0.991 56 Q CA -0.690 55.068 55.803 -0.076 0.000 0.906 56 Q CB 2.401 31.111 28.738 -0.047 0.000 1.422 56 Q HN -0.051 nan 8.270 nan 0.000 0.400 57 V N 4.864 124.637 119.914 -0.235 0.000 2.531 57 V HA 0.596 4.716 4.120 0.000 0.000 0.301 57 V C -0.601 175.359 176.094 -0.224 0.000 1.034 57 V CA -0.518 61.589 62.300 -0.323 0.000 0.865 57 V CB 1.837 33.278 31.823 -0.636 0.000 0.995 57 V HN 0.675 nan 8.190 nan 0.000 0.424 58 I N 5.594 126.061 120.570 -0.171 0.000 2.448 58 I HA 0.515 4.685 4.170 0.000 0.000 0.281 58 I C -0.396 175.721 176.117 -0.001 0.000 1.027 58 I CA -0.101 61.096 61.300 -0.171 0.000 1.111 58 I CB 1.483 39.262 38.000 -0.369 0.000 1.236 58 I HN 0.562 nan 8.210 nan 0.000 0.452 59 M N 7.212 126.857 119.600 0.075 0.000 2.528 59 M HA 0.665 5.145 4.480 0.000 0.000 0.321 59 M C -2.009 174.333 176.300 0.070 0.000 1.153 59 M CA -0.717 54.657 55.300 0.123 0.000 0.951 59 M CB 2.765 35.459 32.600 0.157 0.000 1.705 59 M HN 0.363 nan 8.290 nan 0.000 0.451 60 V N 5.571 125.506 119.914 0.035 0.000 2.443 60 V HA 0.521 4.641 4.120 0.000 0.000 0.293 60 V C -1.305 174.722 176.094 -0.112 0.000 1.021 60 V CA -0.473 61.785 62.300 -0.069 0.000 0.848 60 V CB 1.750 33.492 31.823 -0.136 0.000 0.998 60 V HN 0.961 nan 8.190 nan 0.000 0.424 61 K N 6.269 126.513 120.400 -0.260 0.000 2.221 61 K HA 0.561 4.881 4.320 0.000 0.000 0.258 61 K C -0.123 176.475 176.600 -0.004 0.000 0.944 61 K CA -0.852 55.378 56.287 -0.094 0.000 0.823 61 K CB 1.600 33.985 32.500 -0.191 0.000 1.113 61 K HN 0.842 nan 8.250 nan 0.000 0.431 62 R N 2.353 122.859 120.500 0.011 0.000 2.582 62 R HA 0.049 4.389 4.340 0.000 0.000 0.271 62 R C -0.288 175.982 176.300 -0.051 0.000 1.078 62 R CA -0.131 55.914 56.100 -0.092 0.000 1.127 62 R CB 0.322 30.514 30.300 -0.180 0.000 1.038 62 R HN 0.794 nan 8.270 nan 0.000 0.500 63 H N 0.381 119.502 119.070 0.085 0.000 2.983 63 H HA 0.198 4.754 4.556 0.000 0.000 0.361 63 H C 0.612 176.011 175.328 0.119 0.000 1.145 63 H CA 0.009 56.117 56.048 0.101 0.000 1.404 63 H CB 0.136 29.942 29.762 0.073 0.000 1.356 63 H HN 0.744 nan 8.280 nan 0.000 0.612 64 G N 0.439 109.397 108.800 0.264 0.000 2.553 64 G HA2 0.172 4.132 3.960 0.000 0.000 0.278 64 G HA3 0.172 4.132 3.960 0.000 0.000 0.278 64 G C -0.599 174.457 174.900 0.259 0.000 1.349 64 G CA -0.872 44.347 45.100 0.197 0.000 1.037 64 G HN 0.772 nan 8.290 nan 0.000 0.508 65 E N -0.250 120.044 120.200 0.157 0.000 2.529 65 E HA 0.281 4.631 4.350 0.000 0.000 0.259 65 E C 0.796 177.463 176.600 0.112 0.000 0.966 65 E CA 0.701 57.169 56.400 0.113 0.000 0.937 65 E CB 0.387 30.112 29.700 0.042 0.000 0.923 65 E HN 0.564 nan 8.360 nan 0.000 0.468 66 R N 1.192 121.790 120.500 0.164 0.000 2.885 66 R HA 0.510 4.850 4.340 0.000 0.000 0.260 66 R C -0.938 175.479 176.300 0.195 0.000 1.107 66 R CA -0.939 55.244 56.100 0.139 0.000 0.978 66 R CB 0.540 30.974 30.300 0.225 0.000 1.227 66 R HN 0.298 nan 8.270 nan 0.000 0.473 67 Y N 0.077 120.553 120.300 0.293 0.000 2.300 67 Y HA 0.347 4.897 4.550 0.000 0.000 0.328 67 Y C -1.858 174.113 175.900 0.119 0.000 1.270 67 Y CA -2.088 56.168 58.100 0.260 0.000 1.352 67 Y CB 0.368 38.940 38.460 0.186 0.000 1.286 67 Y HN 0.448 nan 8.280 nan 0.000 0.536 68 P HA 0.013 nan 4.420 nan 0.000 0.271 68 P C -0.652 176.628 177.300 -0.034 0.000 1.238 68 P CA -0.210 62.591 63.100 -0.497 0.000 0.794 68 P CB 0.423 31.848 31.700 -0.458 0.000 0.959 69 S N 0.675 116.290 115.700 -0.142 0.000 2.645 69 S HA 0.265 4.735 4.470 0.000 0.000 0.266 69 S C -1.798 172.615 174.600 -0.312 0.000 1.258 69 S CA -0.879 57.281 58.200 -0.066 0.000 0.990 69 S CB -0.076 63.110 63.200 -0.024 0.000 0.967 69 S HN 0.229 nan 8.310 nan 0.000 0.556 70 P HA -0.130 nan 4.420 nan 0.000 0.215 70 P C 1.921 179.001 177.300 -0.367 0.000 1.153 70 P CA 1.912 64.794 63.100 -0.362 0.000 0.853 70 P CB -0.199 31.444 31.700 -0.095 0.000 0.788 71 S N -0.499 115.074 115.700 -0.212 0.000 2.368 71 S HA -0.129 4.341 4.470 0.000 0.000 0.224 71 S C 2.145 176.631 174.600 -0.189 0.000 1.029 71 S CA 1.237 59.340 58.200 -0.162 0.000 0.988 71 S CB -1.554 61.588 63.200 -0.097 0.000 0.838 71 S HN 0.103 nan 8.310 nan 0.000 0.462 72 A N 2.009 124.703 122.820 -0.210 0.000 1.902 72 A HA 0.207 4.527 4.320 0.000 0.000 0.217 72 A C 2.418 179.850 177.584 -0.254 0.000 1.181 72 A CA 1.604 53.531 52.037 -0.185 0.000 0.623 72 A CB -1.778 17.115 19.000 -0.178 0.000 0.818 72 A HN 0.667 nan 8.150 nan 0.000 0.443 73 G N -0.299 108.197 108.800 -0.507 0.000 2.422 73 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 73 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 73 G C 1.627 176.374 174.900 -0.257 0.000 1.146 73 G CA 1.229 45.978 45.100 -0.586 0.000 0.769 73 G HN 0.608 nan 8.290 nan 0.000 0.547 74 K N 0.396 120.641 120.400 -0.259 0.000 2.009 74 K HA -0.155 4.165 4.320 0.000 0.000 0.210 74 K C 2.025 178.574 176.600 -0.084 0.000 1.049 74 K CA 1.777 57.994 56.287 -0.118 0.000 0.929 74 K CB -0.237 32.199 32.500 -0.106 0.000 0.714 74 K HN 0.114 nan 8.250 nan 0.000 0.440 75 D N 0.856 121.200 120.400 -0.093 0.000 2.123 75 D HA -0.160 4.480 4.640 0.000 0.000 0.196 75 D C 1.996 178.251 176.300 -0.074 0.000 0.992 75 D CA 1.212 55.175 54.000 -0.063 0.000 0.833 75 D CB -0.211 40.562 40.800 -0.045 0.000 0.954 75 D HN 0.322 nan 8.370 nan 0.000 0.455 76 I N 0.914 121.427 120.570 -0.094 0.000 2.226 76 I HA -0.249 3.921 4.170 0.000 0.000 0.245 76 I C 2.255 178.268 176.117 -0.172 0.000 1.100 76 I CA 1.193 62.417 61.300 -0.126 0.000 1.374 76 I CB -0.200 37.756 38.000 -0.073 0.000 1.057 76 I HN -0.004 nan 8.210 nan 0.000 0.413 77 E N 0.569 120.688 120.200 -0.136 0.000 2.077 77 E HA -0.237 4.113 4.350 0.000 0.000 0.193 77 E C 2.086 178.647 176.600 -0.065 0.000 0.989 77 E CA 1.186 57.512 56.400 -0.123 0.000 0.800 77 E CB -0.023 29.654 29.700 -0.038 0.000 0.746 77 E HN 0.497 nan 8.360 nan 0.000 0.452 78 E N 0.351 120.523 120.200 -0.047 0.000 2.110 78 E HA -0.177 4.173 4.350 0.000 0.000 0.193 78 E C 2.040 178.626 176.600 -0.024 0.000 0.988 78 E CA 0.870 57.257 56.400 -0.022 0.000 0.804 78 E CB -0.080 29.610 29.700 -0.017 0.000 0.745 78 E HN 0.227 nan 8.360 nan 0.000 0.458 79 A N 1.053 123.842 122.820 -0.053 0.000 1.898 79 A HA -0.122 4.198 4.320 0.000 0.000 0.216 79 A C 2.144 179.683 177.584 -0.075 0.000 1.181 79 A CA 0.886 52.886 52.037 -0.061 0.000 0.620 79 A CB -0.506 18.435 19.000 -0.098 0.000 0.819 79 A HN 0.146 nan 8.150 nan 0.000 0.442 80 L N -0.870 120.290 121.223 -0.105 0.000 2.201 80 L HA -0.158 4.182 4.340 0.000 0.000 0.212 80 L C 3.019 179.919 176.870 0.051 0.000 1.105 80 L CA 0.754 55.541 54.840 -0.089 0.000 0.775 80 L CB -0.434 41.575 42.059 -0.085 0.000 0.913 80 L HN 0.474 nan 8.230 nan 0.000 0.440 81 A N 0.352 123.215 122.820 0.070 0.000 1.873 81 A HA -0.210 4.110 4.320 0.000 0.000 0.215 81 A C 2.294 179.947 177.584 0.114 0.000 1.186 81 A CA 1.515 53.627 52.037 0.124 0.000 0.616 81 A CB -0.262 18.780 19.000 0.071 0.000 0.823 81 A HN 0.306 nan 8.150 nan 0.000 0.442 82 K N -0.395 120.041 120.400 0.060 0.000 2.097 82 K HA -0.063 4.257 4.320 0.000 0.000 0.206 82 K C 1.850 178.489 176.600 0.064 0.000 1.049 82 K CA 1.356 57.677 56.287 0.057 0.000 0.933 82 K CB -0.388 32.133 32.500 0.036 0.000 0.717 82 K HN 0.298 nan 8.250 nan 0.000 0.442 83 V N 0.494 120.417 119.914 0.016 0.000 2.343 83 V HA -0.232 3.888 4.120 0.000 0.000 0.247 83 V C 1.719 177.840 176.094 0.046 0.000 1.051 83 V CA 1.621 63.905 62.300 -0.027 0.000 1.036 83 V CB -0.504 31.202 31.823 -0.195 0.000 0.654 83 V HN 0.234 nan 8.190 nan 0.000 0.451 84 Y N 0.754 121.162 120.300 0.181 0.000 2.578 84 Y HA -0.002 4.548 4.550 0.000 0.000 0.297 84 Y C 2.407 178.400 175.900 0.155 0.000 1.176 84 Y CA 0.444 58.673 58.100 0.215 0.000 1.315 84 Y CB -0.678 37.874 38.460 0.154 0.000 1.031 84 Y HN 0.384 nan 8.280 nan 0.000 0.524 85 S N 0.244 116.085 115.700 0.235 0.000 2.881 85 S HA 0.194 4.664 4.470 0.000 0.000 0.228 85 S C 0.400 175.057 174.600 0.096 0.000 0.965 85 S CA -0.106 58.180 58.200 0.143 0.000 0.998 85 S CB -1.784 61.474 63.200 0.097 0.000 0.795 85 S HN 0.433 nan 8.310 nan 0.000 0.518 90 E N 1.098 121.225 120.200 -0.121 0.000 2.652 90 E HA 0.008 4.358 4.350 0.000 0.000 0.255 90 E C -0.883 175.626 176.600 -0.152 0.000 0.952 90 E CA -0.070 56.283 56.400 -0.078 0.000 0.947 90 E CB 0.186 29.874 29.700 -0.019 0.000 0.912 90 E HN 0.570 nan 8.360 nan 0.000 0.489 91 Y N 3.949 124.226 120.300 -0.039 0.000 2.497 91 Y HA 0.054 4.604 4.550 0.000 0.000 0.334 91 Y C 0.767 176.615 175.900 -0.086 0.000 1.199 91 Y CA 0.323 58.373 58.100 -0.084 0.000 1.425 91 Y CB 0.653 39.019 38.460 -0.157 0.000 1.291 91 Y HN 0.343 nan 8.280 nan 0.000 0.562 92 K N 1.227 121.657 120.400 0.049 0.000 2.258 92 K HA 0.628 4.948 4.320 0.000 0.000 0.236 92 K C 0.684 177.280 176.600 -0.006 0.000 1.008 92 K CA -0.101 56.190 56.287 0.007 0.000 0.869 92 K CB 1.238 33.728 32.500 -0.016 0.000 1.171 92 K HN 0.809 nan 8.250 nan 0.000 0.447 93 G N 1.580 110.371 108.800 -0.015 0.000 2.596 93 G HA2 -0.339 3.621 3.960 0.000 0.000 0.295 93 G HA3 -0.339 3.621 3.960 0.000 0.000 0.295 93 G C 0.400 175.277 174.900 -0.037 0.000 1.240 93 G CA 0.678 45.761 45.100 -0.027 0.000 0.985 93 G HN 0.617 nan 8.290 nan 0.000 0.555 94 D N 0.544 120.906 120.400 -0.063 0.000 2.310 94 D HA -0.000 4.640 4.640 0.000 0.000 0.212 94 D C 2.294 178.549 176.300 -0.076 0.000 0.965 94 D CA 0.843 54.799 54.000 -0.073 0.000 0.879 94 D CB -0.035 40.691 40.800 -0.123 0.000 0.921 94 D HN 0.346 nan 8.370 nan 0.000 0.510 95 L N 0.334 121.439 121.223 -0.196 0.000 2.653 95 L HA 0.241 4.581 4.340 0.000 0.000 0.231 95 L C 2.093 178.680 176.870 -0.473 0.000 1.153 95 L CA -0.171 54.361 54.840 -0.512 0.000 0.933 95 L CB -0.062 41.688 42.059 -0.514 0.000 1.175 95 L HN -0.086 nan 8.230 nan 0.000 0.473 96 A N 1.295 124.027 122.820 -0.148 0.000 1.978 96 A HA -0.258 4.062 4.320 0.000 0.000 0.220 96 A C 1.986 179.514 177.584 -0.094 0.000 1.170 96 A CA 1.657 53.662 52.037 -0.054 0.000 0.636 96 A CB -0.689 18.321 19.000 0.016 0.000 0.810 96 A HN 0.575 nan 8.150 nan 0.000 0.448 97 F N -0.440 119.416 119.950 -0.156 0.000 2.333 97 F HA -0.044 4.483 4.527 0.000 0.000 0.300 97 F C 1.451 177.212 175.800 -0.064 0.000 1.083 97 F CA 0.857 58.789 58.000 -0.113 0.000 1.395 97 F CB -0.791 38.101 39.000 -0.181 0.000 1.056 97 F HN 0.102 nan 8.300 nan 0.000 0.529 98 L N 0.803 121.395 121.223 -1.051 0.000 2.353 98 L HA -0.183 4.157 4.340 0.000 0.000 0.220 98 L C 1.821 178.638 176.870 -0.088 0.000 1.133 98 L CA 0.861 55.264 54.840 -0.727 0.000 0.798 98 L CB -0.833 40.453 42.059 -1.288 0.000 0.922 98 L HN 0.261 nan 8.230 nan 0.000 0.445 99 N N -0.214 118.497 118.700 0.019 0.000 2.381 99 N HA -0.128 4.612 4.740 0.000 0.000 0.182 99 N C 0.432 176.036 175.510 0.157 0.000 1.025 99 N CA 1.024 54.169 53.050 0.160 0.000 0.888 99 N CB -0.075 38.493 38.487 0.135 0.000 0.965 99 N HN 0.247 nan 8.380 nan 0.000 0.438 100 D N -0.757 119.751 120.400 0.179 0.000 2.656 100 D HA 0.156 4.796 4.640 0.000 0.000 0.303 100 D C -1.623 174.880 176.300 0.339 0.000 1.199 100 D CA -0.429 53.694 54.000 0.205 0.000 0.797 100 D CB -0.155 40.742 40.800 0.163 0.000 1.170 100 D HN 0.016 nan 8.370 nan 0.000 0.509 101 W N 1.931 123.317 121.300 0.143 0.000 3.372 101 W HA 0.507 5.167 4.660 0.000 0.000 0.315 101 W C -1.459 175.205 176.519 0.241 0.000 1.223 101 W CA -0.580 56.906 57.345 0.235 0.000 1.202 101 W CB 1.431 31.068 29.460 0.294 0.000 1.367 101 W HN 0.067 nan 8.180 nan 0.000 0.531 102 T N 2.119 116.353 114.554 -0.535 0.000 2.893 102 T HA 0.351 4.701 4.350 0.000 0.000 0.293 102 T C -0.968 173.074 174.700 -1.096 0.000 1.027 102 T CA -0.600 61.172 62.100 -0.546 0.000 0.988 102 T CB 1.439 70.154 68.868 -0.256 0.000 1.043 102 T HN 0.431 nan 8.240 nan 0.000 0.461 103 Y N 3.715 123.451 120.300 -0.939 0.000 2.702 103 Y HA 0.114 4.664 4.550 0.000 0.000 0.336 103 Y C 1.107 176.722 175.900 -0.476 0.000 1.235 103 Y CA -1.202 56.444 58.100 -0.757 0.000 1.492 103 Y CB 0.322 38.583 38.460 -0.333 0.000 1.308 103 Y HN 0.813 nan 8.280 nan 0.000 0.589 104 Y N 1.597 121.641 120.300 -0.427 0.000 2.544 104 Y HA 0.331 4.881 4.550 0.000 0.000 0.286 104 Y C 0.338 175.974 175.900 -0.441 0.000 1.141 104 Y CA -0.464 57.444 58.100 -0.320 0.000 1.299 104 Y CB -0.951 37.485 38.460 -0.040 0.000 1.030 104 Y HN 0.104 nan 8.280 nan 0.000 0.543 105 V N 4.369 123.585 119.914 -1.162 0.000 2.405 105 V HA 0.082 4.202 4.120 0.000 0.000 0.264 105 V C -1.239 174.427 176.094 -0.713 0.000 1.048 105 V CA -1.409 60.296 62.300 -0.992 0.000 0.966 105 V CB 0.910 31.987 31.823 -1.244 0.000 1.015 105 V HN 0.121 nan 8.190 nan 0.000 0.477 106 P HA -0.139 nan 4.420 nan 0.000 0.216 106 P C 0.039 177.184 177.300 -0.258 0.000 1.157 106 P CA 1.443 64.275 63.100 -0.447 0.000 0.880 106 P CB 0.163 31.445 31.700 -0.697 0.000 0.791 107 N N -3.968 114.605 118.700 -0.212 0.000 3.046 107 N HA 0.055 4.795 4.740 0.000 0.000 0.243 107 N C 0.292 175.658 175.510 -0.240 0.000 1.452 107 N CA -0.784 52.183 53.050 -0.139 0.000 0.882 107 N CB 0.031 38.499 38.487 -0.031 0.000 1.425 107 N HN -0.082 nan 8.380 nan 0.000 0.517 108 E N -1.138 118.960 120.200 -0.170 0.000 2.331 108 E HA -0.142 4.208 4.350 0.000 0.000 0.199 108 E C 0.274 176.822 176.600 -0.087 0.000 1.008 108 E CA 1.141 57.463 56.400 -0.130 0.000 0.843 108 E CB -0.447 29.315 29.700 0.103 0.000 0.761 108 E HN 0.527 nan 8.360 nan 0.000 0.507 109 c N 0.363 118.884 118.600 -0.132 0.000 2.472 109 c HA 0.012 4.582 4.570 0.000 0.000 0.278 109 c C 1.622 175.526 174.090 -0.311 0.000 1.447 109 c CA 0.067 56.284 56.329 -0.186 0.000 1.773 109 c CB -1.346 41.023 42.510 -0.234 0.000 1.793 109 c HN 0.463 nan 8.230 nan 0.000 0.544 110 Y N -1.578 118.538 120.300 -0.306 0.000 2.519 110 Y HA 0.118 4.668 4.550 0.000 0.000 0.287 110 Y C 1.016 176.771 175.900 -0.241 0.000 1.128 110 Y CA 0.213 58.084 58.100 -0.383 0.000 1.282 110 Y CB -0.424 37.556 38.460 -0.799 0.000 1.027 110 Y HN 0.234 nan 8.280 nan 0.000 0.551 111 Y N 1.899 122.187 120.300 -0.020 0.000 2.712 111 Y HA -0.087 4.463 4.550 0.000 0.000 0.333 111 Y C 1.296 177.254 175.900 0.096 0.000 1.225 111 Y CA 0.144 58.272 58.100 0.046 0.000 1.499 111 Y CB 0.011 38.472 38.460 0.002 0.000 1.288 111 Y HN 0.230 nan 8.280 nan 0.000 0.575 112 N N -1.712 117.195 118.700 0.345 0.000 2.941 112 N HA -0.187 4.553 4.740 0.000 0.000 0.201 112 N C -0.224 175.437 175.510 0.253 0.000 0.944 112 N CA 0.996 54.203 53.050 0.262 0.000 1.027 112 N CB -1.143 37.465 38.487 0.202 0.000 0.992 112 N HN 0.644 nan 8.380 nan 0.000 0.585 113 A N 0.946 123.959 122.820 0.322 0.000 2.287 113 A HA 0.444 4.764 4.320 0.000 0.000 0.273 113 A C 0.527 178.284 177.584 0.288 0.000 1.091 113 A CA -0.089 52.133 52.037 0.309 0.000 0.817 113 A CB 0.531 19.758 19.000 0.378 0.000 1.069 113 A HN 0.108 nan 8.150 nan 0.000 0.492 114 E N 1.004 121.317 120.200 0.187 0.000 2.373 114 E HA 0.246 4.596 4.350 0.000 0.000 0.267 114 E C 0.425 177.047 176.600 0.037 0.000 1.032 114 E CA 0.241 56.703 56.400 0.104 0.000 0.889 114 E CB 0.819 30.577 29.700 0.097 0.000 0.984 114 E HN 0.748 nan 8.360 nan 0.000 0.425 115 T N -1.087 113.391 114.554 -0.127 0.000 2.882 115 T HA 0.325 4.675 4.350 0.000 0.000 0.287 115 T C 0.728 175.393 174.700 -0.057 0.000 1.014 115 T CA -0.605 61.342 62.100 -0.256 0.000 1.049 115 T CB 0.806 69.457 68.868 -0.362 0.000 1.001 115 T HN 0.444 nan 8.240 nan 0.000 0.525 116 T N -2.205 112.333 114.554 -0.026 0.000 3.604 116 T HA 0.471 4.821 4.350 0.000 0.000 0.305 116 T C -0.074 174.623 174.700 -0.005 0.000 0.978 116 T CA -0.391 61.712 62.100 0.005 0.000 0.999 116 T CB -0.702 68.192 68.868 0.044 0.000 1.204 116 T HN 0.998 nan 8.240 nan 0.000 0.476 117 S N -0.546 115.143 115.700 -0.018 0.000 2.537 117 S HA 0.878 5.348 4.470 0.000 0.000 0.270 117 S C 0.180 174.770 174.600 -0.017 0.000 1.142 117 S CA -0.357 57.836 58.200 -0.012 0.000 0.870 117 S CB 1.469 64.670 63.200 0.001 0.000 1.112 117 S HN 1.702 nan 8.310 nan 0.000 0.466 118 G N 2.160 110.945 108.800 -0.025 0.000 2.756 118 G HA2 -0.034 3.926 3.960 0.000 0.000 0.678 118 G HA3 -0.034 3.926 3.960 0.000 0.000 0.678 118 G C -1.937 172.899 174.900 -0.108 0.000 1.349 118 G CA -0.256 44.814 45.100 -0.051 0.000 0.847 118 G HN 0.722 nan 8.290 nan 0.000 0.548 119 P HA -0.009 nan 4.420 nan 0.000 0.226 119 P C 0.657 177.740 177.300 -0.361 0.000 1.153 119 P CA 1.453 64.330 63.100 -0.371 0.000 0.777 119 P CB 0.003 31.332 31.700 -0.618 0.000 0.794 120 Y N -0.115 120.141 120.300 -0.072 0.000 2.555 120 Y HA 0.472 5.022 4.550 0.000 0.000 0.259 120 Y C 1.406 177.278 175.900 -0.047 0.000 1.179 120 Y CA -1.006 57.063 58.100 -0.052 0.000 1.230 120 Y CB -0.777 37.641 38.460 -0.071 0.000 1.146 120 Y HN -0.108 nan 8.280 nan 0.000 0.526 121 A N 0.705 123.559 122.820 0.058 0.000 2.587 121 A HA 0.238 4.558 4.320 0.000 0.000 0.235 121 A C 1.905 179.512 177.584 0.038 0.000 1.044 121 A CA 0.854 52.902 52.037 0.019 0.000 0.754 121 A CB -0.046 18.950 19.000 -0.007 0.000 0.968 121 A HN 0.619 nan 8.150 nan 0.000 0.509 122 G N 1.372 110.190 108.800 0.030 0.000 2.440 122 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 122 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 122 G C 1.238 176.175 174.900 0.062 0.000 1.154 122 G CA 1.202 46.340 45.100 0.064 0.000 0.767 122 G HN 0.669 nan 8.290 nan 0.000 0.552 123 L N -0.352 120.893 121.223 0.036 0.000 2.109 123 L HA 0.048 4.388 4.340 0.000 0.000 0.207 123 L C 2.660 179.546 176.870 0.026 0.000 1.086 123 L CA 0.314 55.165 54.840 0.019 0.000 0.760 123 L CB -0.432 41.621 42.059 -0.010 0.000 0.910 123 L HN 0.227 nan 8.230 nan 0.000 0.437 124 L N 0.498 121.736 121.223 0.024 0.000 2.083 124 L HA -0.227 4.113 4.340 0.000 0.000 0.209 124 L C 2.206 179.111 176.870 0.058 0.000 1.083 124 L CA 1.900 56.767 54.840 0.044 0.000 0.752 124 L CB -0.773 41.294 42.059 0.013 0.000 0.899 124 L HN 0.265 nan 8.230 nan 0.000 0.433 125 D N -0.114 120.315 120.400 0.049 0.000 2.092 125 D HA -0.238 4.402 4.640 0.000 0.000 0.193 125 D C 2.005 178.333 176.300 0.046 0.000 0.994 125 D CA 1.788 55.809 54.000 0.035 0.000 0.828 125 D CB -0.074 40.760 40.800 0.057 0.000 0.963 125 D HN 0.430 nan 8.370 nan 0.000 0.450 126 A N -0.508 122.363 122.820 0.085 0.000 1.883 126 A HA -0.221 4.099 4.320 0.000 0.000 0.217 126 A C 2.406 180.019 177.584 0.049 0.000 1.186 126 A CA 1.731 53.842 52.037 0.124 0.000 0.624 126 A CB -1.388 17.667 19.000 0.092 0.000 0.822 126 A HN 0.481 nan 8.150 nan 0.000 0.444 127 Y N 1.290 121.513 120.300 -0.128 0.000 2.181 127 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 127 Y C 2.379 178.141 175.900 -0.229 0.000 1.146 127 Y CA 1.695 59.666 58.100 -0.215 0.000 1.164 127 Y CB -0.352 38.005 38.460 -0.171 0.000 0.982 127 Y HN 0.502 nan 8.280 nan 0.000 0.515 128 N N -0.673 117.961 118.700 -0.111 0.000 2.142 128 N HA -0.273 4.467 4.740 0.000 0.000 0.186 128 N C 2.051 177.439 175.510 -0.203 0.000 1.023 128 N CA 1.679 54.620 53.050 -0.182 0.000 0.852 128 N CB -0.681 37.758 38.487 -0.081 0.000 0.998 128 N HN 0.678 nan 8.380 nan 0.000 0.424 129 H N -0.712 118.181 119.070 -0.295 0.000 2.387 129 H HA -0.060 4.496 4.556 0.000 0.000 0.299 129 H C 1.962 176.930 175.328 -0.600 0.000 1.090 129 H CA 1.330 57.163 56.048 -0.358 0.000 1.332 129 H CB -0.139 29.470 29.762 -0.255 0.000 1.386 129 H HN 0.365 nan 8.280 nan 0.000 0.516 130 G N 0.360 108.621 108.800 -0.899 0.000 2.402 130 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 130 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 130 G C 1.570 176.007 174.900 -0.772 0.000 1.162 130 G CA 0.610 44.838 45.100 -1.453 0.000 0.777 130 G HN 0.441 nan 8.290 nan 0.000 0.539 131 N N 0.600 118.911 118.700 -0.649 0.000 2.166 131 N HA -0.119 4.621 4.740 0.000 0.000 0.186 131 N C 1.847 177.153 175.510 -0.340 0.000 1.019 131 N CA 1.464 54.195 53.050 -0.531 0.000 0.856 131 N CB -0.158 38.010 38.487 -0.532 0.000 0.993 131 N HN 0.295 nan 8.380 nan 0.000 0.426 132 D N -0.075 120.189 120.400 -0.227 0.000 2.084 132 D HA -0.142 4.498 4.640 0.000 0.000 0.194 132 D C 1.599 177.945 176.300 0.077 0.000 0.990 132 D CA 1.044 55.011 54.000 -0.056 0.000 0.826 132 D CB -0.028 40.788 40.800 0.025 0.000 0.971 132 D HN 0.145 nan 8.370 nan 0.000 0.453 133 Y N 0.428 120.668 120.300 -0.100 0.000 2.403 133 Y HA -0.045 4.505 4.550 0.000 0.000 0.291 133 Y C 2.123 178.031 175.900 0.014 0.000 1.143 133 Y CA 0.761 58.913 58.100 0.087 0.000 1.257 133 Y CB -0.485 38.151 38.460 0.293 0.000 0.984 133 Y HN -0.067 nan 8.280 nan 0.000 0.550 134 K N 0.585 120.824 120.400 -0.268 0.000 2.026 134 K HA -0.098 4.222 4.320 0.000 0.000 0.208 134 K C 2.205 178.594 176.600 -0.353 0.000 1.048 134 K CA 1.491 57.319 56.287 -0.765 0.000 0.929 134 K CB -0.571 31.427 32.500 -0.836 0.000 0.713 134 K HN 0.123 nan 8.250 nan 0.000 0.439 135 A N 0.659 123.339 122.820 -0.233 0.000 1.898 135 A HA -0.120 4.200 4.320 0.000 0.000 0.216 135 A C 2.267 179.771 177.584 -0.133 0.000 1.181 135 A CA 1.698 53.642 52.037 -0.156 0.000 0.620 135 A CB -0.546 18.373 19.000 -0.136 0.000 0.819 135 A HN 0.395 nan 8.150 nan 0.000 0.442 136 R N -2.170 118.201 120.500 -0.215 0.000 2.090 136 R HA -0.093 4.247 4.340 0.000 0.000 0.228 136 R C 0.511 176.588 176.300 -0.372 0.000 1.110 136 R CA 1.508 57.357 56.100 -0.419 0.000 0.973 136 R CB -0.125 29.702 30.300 -0.788 0.000 0.869 136 R HN 0.563 nan 8.270 nan 0.000 0.440 137 Y N -1.465 118.887 120.300 0.087 0.000 2.641 137 Y HA 0.378 4.928 4.550 0.000 0.000 0.248 137 Y C 1.601 177.541 175.900 0.066 0.000 1.170 137 Y CA -0.224 57.926 58.100 0.084 0.000 1.201 137 Y CB 0.512 39.046 38.460 0.123 0.000 1.232 137 Y HN 0.124 nan 8.280 nan 0.000 0.537 138 G N 0.828 109.717 108.800 0.148 0.000 2.442 138 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 138 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 138 G C 1.529 176.522 174.900 0.154 0.000 1.141 138 G CA 1.406 46.554 45.100 0.081 0.000 0.763 138 G HN 0.622 nan 8.290 nan 0.000 0.554 139 H N 0.312 119.466 119.070 0.139 0.000 2.518 139 H HA 0.053 4.609 4.556 0.000 0.000 0.292 139 H C 1.831 177.250 175.328 0.152 0.000 1.068 139 H CA 0.725 56.841 56.048 0.113 0.000 1.275 139 H CB -0.429 29.379 29.762 0.077 0.000 1.375 139 H HN 0.374 nan 8.280 nan 0.000 0.563 140 L N -0.974 120.086 121.223 -0.272 0.000 2.611 140 L HA 0.139 4.479 4.340 0.000 0.000 0.229 140 L C -0.136 176.831 176.870 0.162 0.000 1.137 140 L CA -0.270 54.502 54.840 -0.114 0.000 0.901 140 L CB 0.020 41.956 42.059 -0.204 0.000 1.098 140 L HN 0.184 nan 8.230 nan 0.000 0.456 141 W N 1.544 122.872 121.300 0.048 0.000 2.683 141 W HA 0.254 4.914 4.660 -0.000 0.000 0.329 141 W C 0.592 177.172 176.519 0.101 0.000 1.037 141 W CA -1.480 55.937 57.345 0.120 0.000 1.232 141 W CB 0.861 30.481 29.460 0.266 0.000 1.390 141 W HN 0.034 nan 8.180 nan 0.000 0.465 142 N N 3.220 121.695 118.700 -0.375 0.000 2.449 142 N HA 0.141 4.881 4.740 0.000 0.000 0.191 142 N C 1.343 176.406 175.510 -0.745 0.000 1.161 142 N CA 0.740 53.539 53.050 -0.418 0.000 0.863 142 N CB 0.024 38.384 38.487 -0.212 0.000 0.980 142 N HN 0.952 nan 8.380 nan 0.000 0.458 143 G N -0.699 107.064 108.800 -1.729 0.000 2.184 143 G HA2 -0.295 3.665 3.960 0.000 0.000 0.264 143 G HA3 -0.295 3.665 3.960 0.000 0.000 0.264 143 G C 0.749 175.188 174.900 -0.769 0.000 0.975 143 G CA 0.619 44.714 45.100 -1.674 0.000 0.642 143 G HN 0.413 nan 8.290 nan 0.000 0.536 144 E N -0.446 119.467 120.200 -0.478 0.000 2.406 144 E HA 0.115 4.465 4.350 0.000 0.000 0.204 144 E C 1.237 177.923 176.600 0.143 0.000 0.820 144 E CA 0.877 57.235 56.400 -0.069 0.000 1.136 144 E CB -0.325 29.332 29.700 -0.072 0.000 1.129 144 E HN 0.381 nan 8.360 nan 0.000 0.530 145 T N 2.014 116.686 114.554 0.197 0.000 2.937 145 T HA 0.142 4.492 4.350 0.000 0.000 0.316 145 T C 0.354 175.314 174.700 0.434 0.000 1.079 145 T CA 0.108 62.398 62.100 0.315 0.000 1.131 145 T CB 1.174 70.236 68.868 0.323 0.000 1.000 145 T HN -0.228 nan 8.240 nan 0.000 0.549 146 V N 3.956 123.993 119.914 0.206 0.000 2.348 146 V HA 0.229 4.349 4.120 0.000 0.000 0.270 146 V C 0.116 176.192 176.094 -0.031 0.000 1.037 146 V CA -0.604 61.734 62.300 0.064 0.000 0.872 146 V CB 1.160 33.009 31.823 0.044 0.000 1.002 146 V HN 0.685 nan 8.190 nan 0.000 0.464 147 V N 8.794 128.577 119.914 -0.218 0.000 2.364 147 V HA 0.337 4.457 4.120 0.000 0.000 0.272 147 V C -1.909 174.000 176.094 -0.308 0.000 1.036 147 V CA -1.685 60.448 62.300 -0.278 0.000 0.880 147 V CB 1.398 33.058 31.823 -0.271 0.000 0.991 147 V HN 0.704 nan 8.190 nan 0.000 0.460 148 P HA 0.408 nan 4.420 nan 0.000 0.279 148 P C -1.108 175.879 177.300 -0.521 0.000 1.239 148 P CA -0.170 62.639 63.100 -0.486 0.000 0.789 148 P CB 1.119 32.359 31.700 -0.766 0.000 0.933 149 F N 0.663 120.161 119.950 -0.754 0.000 2.577 149 F HA 0.760 5.287 4.527 -0.000 0.000 0.318 149 F C -1.508 173.884 175.800 -0.681 0.000 1.065 149 F CA -1.972 55.737 58.000 -0.485 0.000 0.929 149 F CB 0.963 40.033 39.000 0.116 0.000 1.237 149 F HN 0.023 nan 8.300 nan 0.000 0.468 150 F N 0.951 121.087 119.950 0.309 0.000 2.520 150 F HA 0.702 5.229 4.527 0.000 0.000 0.322 150 F C 0.124 176.065 175.800 0.234 0.000 1.103 150 F CA -0.956 57.128 58.000 0.141 0.000 0.926 150 F CB 2.068 41.179 39.000 0.185 0.000 1.154 150 F HN 0.718 nan 8.300 nan 0.000 0.453 151 S N 1.129 116.943 115.700 0.190 0.000 2.536 151 S HA 0.641 5.111 4.470 0.000 0.000 0.287 151 S C -0.556 174.084 174.600 0.068 0.000 1.101 151 S CA -0.681 57.632 58.200 0.188 0.000 0.950 151 S CB 1.197 64.445 63.200 0.080 0.000 1.056 151 S HN 0.803 nan 8.310 nan 0.000 0.481 152 S N 2.700 118.452 115.700 0.087 0.000 2.603 152 S HA 0.482 4.952 4.470 0.000 0.000 0.268 152 S C 0.757 175.416 174.600 0.099 0.000 1.317 152 S CA -0.168 58.071 58.200 0.064 0.000 1.012 152 S CB 0.545 63.810 63.200 0.107 0.000 0.926 152 S HN 1.171 nan 8.310 nan 0.000 0.539 153 G N 1.296 110.157 108.800 0.102 0.000 2.916 153 G HA2 0.365 4.325 3.960 0.000 0.000 0.280 153 G HA3 0.365 4.325 3.960 0.000 0.000 0.280 153 G C -1.001 174.022 174.900 0.205 0.000 0.758 153 G CA -0.211 44.952 45.100 0.104 0.000 1.993 153 G HN 0.670 nan 8.290 nan 0.000 0.564 154 Y N 0.485 120.823 120.300 0.063 0.000 2.399 154 Y HA 0.424 4.974 4.550 0.000 0.000 0.327 154 Y C 1.272 177.201 175.900 0.049 0.000 1.111 154 Y CA -0.214 57.940 58.100 0.091 0.000 1.047 154 Y CB 1.618 40.204 38.460 0.210 0.000 1.259 154 Y HN 0.371 nan 8.280 nan 0.000 0.434 155 G N 4.974 113.739 108.800 -0.058 0.000 2.719 155 G HA2 -0.381 3.579 3.960 0.000 0.000 0.219 155 G HA3 -0.381 3.579 3.960 0.000 0.000 0.219 155 G C 1.496 176.458 174.900 0.104 0.000 1.234 155 G CA 1.706 46.806 45.100 -0.001 0.000 0.788 155 G HN 0.811 nan 8.290 nan 0.000 0.619 156 R N -0.053 120.561 120.500 0.190 0.000 2.127 156 R HA 0.024 4.364 4.340 0.000 0.000 0.238 156 R C 2.344 178.732 176.300 0.147 0.000 1.134 156 R CA 1.589 57.773 56.100 0.140 0.000 0.975 156 R CB -0.822 29.512 30.300 0.056 0.000 0.865 156 R HN 0.315 nan 8.270 nan 0.000 0.447 157 V N 1.768 121.789 119.914 0.179 0.000 2.307 157 V HA -0.180 3.940 4.120 0.000 0.000 0.245 157 V C 2.472 178.611 176.094 0.074 0.000 1.045 157 V CA 1.634 64.016 62.300 0.137 0.000 1.024 157 V CB -0.407 31.451 31.823 0.058 0.000 0.651 157 V HN 0.250 nan 8.190 nan 0.000 0.449 158 I N -0.067 120.541 120.570 0.063 0.000 2.208 158 I HA -0.202 3.968 4.170 0.000 0.000 0.245 158 I C 2.650 178.748 176.117 -0.030 0.000 1.097 158 I CA 1.370 62.670 61.300 0.000 0.000 1.363 158 I CB -0.400 37.603 38.000 0.005 0.000 1.051 158 I HN 0.307 nan 8.210 nan 0.000 0.413 159 E N 0.290 120.493 120.200 0.004 0.000 2.150 159 E HA -0.147 4.203 4.350 0.000 0.000 0.193 159 E C 2.227 178.803 176.600 -0.039 0.000 0.985 159 E CA 1.418 57.815 56.400 -0.004 0.000 0.814 159 E CB -0.489 29.229 29.700 0.029 0.000 0.752 159 E HN 0.470 nan 8.360 nan 0.000 0.466 160 T N 1.220 115.752 114.554 -0.037 0.000 2.737 160 T HA -0.062 4.288 4.350 0.000 0.000 0.265 160 T C 1.977 176.473 174.700 -0.340 0.000 1.038 160 T CA 1.400 63.459 62.100 -0.069 0.000 1.144 160 T CB -0.198 68.704 68.868 0.056 0.000 0.866 160 T HN 0.273 nan 8.240 nan 0.000 0.434 161 A N 2.043 124.499 122.820 -0.607 0.000 1.883 161 A HA -0.173 4.147 4.320 0.000 0.000 0.217 161 A C 2.376 179.791 177.584 -0.282 0.000 1.186 161 A CA 1.616 52.978 52.037 -1.126 0.000 0.624 161 A CB -0.559 18.075 19.000 -0.610 0.000 0.822 161 A HN 0.411 nan 8.150 nan 0.000 0.444 162 R N -0.696 119.759 120.500 -0.074 0.000 2.083 162 R HA -0.104 4.236 4.340 0.000 0.000 0.237 162 R C 2.136 178.312 176.300 -0.206 0.000 1.137 162 R CA 1.461 57.577 56.100 0.026 0.000 0.951 162 R CB -0.248 30.053 30.300 0.001 0.000 0.851 162 R HN 0.293 nan 8.270 nan 0.000 0.434 163 K N -0.024 120.271 120.400 -0.174 0.000 2.155 163 K HA -0.103 4.217 4.320 0.000 0.000 0.203 163 K C 1.821 178.349 176.600 -0.120 0.000 1.052 163 K CA 0.892 57.084 56.287 -0.157 0.000 0.948 163 K CB -0.237 32.214 32.500 -0.082 0.000 0.728 163 K HN 0.116 nan 8.250 nan 0.000 0.448 164 F N 1.181 120.949 119.950 -0.304 0.000 2.084 164 F HA -0.070 4.457 4.527 0.000 0.000 0.296 164 F C 2.148 177.718 175.800 -0.383 0.000 1.111 164 F CA 1.847 59.654 58.000 -0.322 0.000 1.224 164 F CB -0.781 38.039 39.000 -0.301 0.000 0.991 164 F HN 0.042 nan 8.300 nan 0.000 0.471 165 G N -0.362 108.330 108.800 -0.179 0.000 2.469 165 G HA2 -0.360 3.600 3.960 0.000 0.000 0.220 165 G HA3 -0.360 3.600 3.960 0.000 0.000 0.220 165 G C 1.585 176.239 174.900 -0.411 0.000 1.136 165 G CA 1.026 45.917 45.100 -0.349 0.000 0.759 165 G HN 0.515 nan 8.290 nan 0.000 0.562 166 E N 0.186 119.846 120.200 -0.900 0.000 2.150 166 E HA -0.004 4.346 4.350 0.000 0.000 0.193 166 E C 2.627 179.068 176.600 -0.265 0.000 0.985 166 E CA 0.822 56.721 56.400 -0.836 0.000 0.814 166 E CB -0.393 28.835 29.700 -0.787 0.000 0.752 166 E HN 0.355 nan 8.360 nan 0.000 0.466 167 G N 0.353 108.957 108.800 -0.326 0.000 2.394 167 G HA2 -0.257 3.703 3.960 0.000 0.000 0.215 167 G HA3 -0.257 3.703 3.960 0.000 0.000 0.215 167 G C 1.300 175.843 174.900 -0.595 0.000 1.165 167 G CA 0.435 45.157 45.100 -0.630 0.000 0.784 167 G HN 0.314 nan 8.290 nan 0.000 0.535 168 F N 0.735 120.221 119.950 -0.774 0.000 2.060 168 F HA 0.113 4.640 4.527 0.000 0.000 0.295 168 F C 2.158 177.545 175.800 -0.689 0.000 1.120 168 F CA 1.262 58.781 58.000 -0.801 0.000 1.205 168 F CB -0.123 38.260 39.000 -1.028 0.000 0.986 168 F HN 0.108 nan 8.300 nan 0.000 0.470 169 F N 0.375 120.301 119.950 -0.040 0.000 2.615 169 F HA 0.223 4.750 4.527 -0.000 0.000 0.297 169 F C 2.041 177.825 175.800 -0.027 0.000 1.124 169 F CA 0.628 58.581 58.000 -0.079 0.000 1.451 169 F CB -1.076 37.880 39.000 -0.073 0.000 1.103 169 F HN 0.233 nan 8.300 nan 0.000 0.569 170 G N 0.695 109.510 108.800 0.025 0.000 2.685 170 G HA2 -0.440 3.520 3.960 0.000 0.000 0.329 170 G HA3 -0.440 3.520 3.960 0.000 0.000 0.329 170 G C 0.951 175.916 174.900 0.109 0.000 1.271 170 G CA 0.992 46.054 45.100 -0.063 0.000 1.003 170 G HN 0.257 nan 8.290 nan 0.000 0.549 171 Y N 1.707 122.109 120.300 0.171 0.000 2.365 171 Y HA -0.068 4.482 4.550 0.000 0.000 0.287 171 Y C 2.601 178.636 175.900 0.224 0.000 1.162 171 Y CA 1.930 60.137 58.100 0.179 0.000 1.260 171 Y CB -0.499 38.044 38.460 0.139 0.000 0.976 171 Y HN 0.456 nan 8.280 nan 0.000 0.548 172 N N -1.865 117.089 118.700 0.424 0.000 2.273 172 N HA 0.000 4.740 4.740 0.000 0.000 0.231 172 N C 0.929 176.618 175.510 0.298 0.000 1.134 172 N CA -0.176 53.103 53.050 0.381 0.000 0.856 172 N CB -0.108 38.705 38.487 0.544 0.000 1.068 172 N HN 0.182 nan 8.380 nan 0.000 0.510 173 Y N 1.890 122.304 120.300 0.190 0.000 2.200 173 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 173 Y C 2.405 178.350 175.900 0.076 0.000 1.137 173 Y CA 1.491 59.650 58.100 0.097 0.000 1.163 173 Y CB -0.305 38.213 38.460 0.097 0.000 0.988 173 Y HN 0.136 nan 8.280 nan 0.000 0.518 174 S N -1.736 114.002 115.700 0.064 0.000 2.453 174 S HA -0.131 4.339 4.470 0.000 0.000 0.231 174 S C 1.758 176.338 174.600 -0.032 0.000 1.005 174 S CA 1.370 59.591 58.200 0.035 0.000 0.949 174 S CB -1.057 62.306 63.200 0.272 0.000 0.774 174 S HN 0.639 nan 8.310 nan 0.000 0.510 175 T N -1.181 113.375 114.554 0.004 0.000 3.042 175 T HA 0.253 4.603 4.350 0.000 0.000 0.245 175 T C 1.121 175.807 174.700 -0.023 0.000 1.029 175 T CA 0.395 62.504 62.100 0.014 0.000 1.120 175 T CB -0.567 68.349 68.868 0.081 0.000 0.917 175 T HN 0.402 nan 8.240 nan 0.000 0.467 176 N N 1.674 120.344 118.700 -0.050 0.000 2.230 176 N HA 0.562 5.302 4.740 0.000 0.000 0.202 176 N C -0.265 174.902 175.510 -0.571 0.000 1.119 176 N CA 0.016 52.993 53.050 -0.122 0.000 0.851 176 N CB 0.836 39.464 38.487 0.235 0.000 0.990 176 N HN 0.620 nan 8.380 nan 0.000 0.497 177 A N 0.252 122.694 122.820 -0.630 0.000 2.365 177 A HA 0.862 5.182 4.320 0.000 0.000 0.318 177 A C -0.945 176.493 177.584 -0.243 0.000 1.091 177 A CA -0.774 50.822 52.037 -0.734 0.000 0.763 177 A CB 1.267 19.786 19.000 -0.802 0.000 1.248 177 A HN 0.097 nan 8.150 nan 0.000 0.442 178 A N 2.158 124.935 122.820 -0.070 0.000 2.409 178 A HA 0.560 4.880 4.320 0.000 0.000 0.300 178 A C -0.721 176.632 177.584 -0.385 0.000 1.273 178 A CA -0.449 51.497 52.037 -0.152 0.000 0.774 178 A CB 0.222 19.144 19.000 -0.131 0.000 1.144 178 A HN 1.411 nan 8.150 nan 0.000 0.472 179 L N 2.701 123.560 121.223 -0.607 0.000 2.418 179 L HA 0.233 4.573 4.340 0.000 0.000 0.274 179 L C -0.267 176.259 176.870 -0.572 0.000 1.135 179 L CA 0.604 54.793 54.840 -1.084 0.000 0.870 179 L CB -0.040 41.475 42.059 -0.906 0.000 1.154 179 L HN 0.644 nan 8.230 nan 0.000 0.462 180 N N 6.510 124.867 118.700 -0.572 0.000 2.446 180 N HA 0.391 5.131 4.740 0.000 0.000 0.265 180 N C -1.033 174.369 175.510 -0.179 0.000 0.975 180 N CA -0.465 52.431 53.050 -0.257 0.000 0.928 180 N CB 1.553 39.960 38.487 -0.134 0.000 1.160 180 N HN 0.534 nan 8.380 nan 0.000 0.495 181 I N 3.791 124.288 120.570 -0.122 0.000 2.321 181 I HA 0.313 4.483 4.170 0.000 0.000 0.291 181 I C -0.113 175.954 176.117 -0.084 0.000 0.998 181 I CA -0.667 60.578 61.300 -0.092 0.000 1.227 181 I CB 1.168 39.123 38.000 -0.074 0.000 1.368 181 I HN 0.238 nan 8.210 nan 0.000 0.466 182 I N 5.126 125.620 120.570 -0.127 0.000 2.312 182 I HA 0.159 4.329 4.170 0.000 0.000 0.290 182 I C 0.756 176.824 176.117 -0.082 0.000 1.008 182 I CA -0.212 60.980 61.300 -0.181 0.000 1.226 182 I CB 1.071 38.795 38.000 -0.459 0.000 1.371 182 I HN 0.522 nan 8.210 nan 0.000 0.468 183 S N 4.830 120.501 115.700 -0.047 0.000 2.558 183 S HA -0.009 4.461 4.470 0.000 0.000 0.291 183 S C 1.129 175.734 174.600 0.008 0.000 1.306 183 S CA 0.144 58.338 58.200 -0.010 0.000 1.056 183 S CB 0.369 63.560 63.200 -0.015 0.000 0.836 183 S HN 0.599 nan 8.310 nan 0.000 0.504 184 E N 2.124 122.353 120.200 0.048 0.000 2.489 184 E HA 0.039 4.389 4.350 0.000 0.000 0.193 184 E C 0.374 176.998 176.600 0.039 0.000 1.057 184 E CA -0.136 56.307 56.400 0.072 0.000 0.866 184 E CB 0.296 30.084 29.700 0.147 0.000 0.916 184 E HN 0.509 nan 8.360 nan 0.000 0.500 185 S N 1.410 117.114 115.700 0.007 0.000 2.562 185 S HA -0.051 4.419 4.470 0.000 0.000 0.281 185 S C 1.285 175.843 174.600 -0.070 0.000 1.333 185 S CA -0.258 57.927 58.200 -0.025 0.000 1.052 185 S CB 0.823 63.997 63.200 -0.043 0.000 0.884 185 S HN 0.315 nan 8.310 nan 0.000 0.506 186 E N 3.394 123.546 120.200 -0.081 0.000 2.204 186 E HA -0.111 4.239 4.350 0.000 0.000 0.195 186 E C 1.508 177.822 176.600 -0.476 0.000 0.990 186 E CA 1.159 57.483 56.400 -0.127 0.000 0.821 186 E CB -0.359 29.330 29.700 -0.018 0.000 0.750 186 E HN 0.476 nan 8.360 nan 0.000 0.477 187 V N 1.414 120.985 119.914 -0.573 0.000 2.828 187 V HA -0.235 3.885 4.120 0.000 0.000 0.260 187 V C 2.125 177.873 176.094 -0.576 0.000 1.101 187 V CA 1.426 63.182 62.300 -0.907 0.000 1.123 187 V CB -0.464 31.140 31.823 -0.365 0.000 0.704 187 V HN 0.430 nan 8.190 nan 0.000 0.493 188 M N -0.764 118.666 119.600 -0.284 0.000 2.562 188 M HA 0.161 4.641 4.480 0.000 0.000 0.257 188 M C 1.802 178.091 176.300 -0.017 0.000 1.099 188 M CA 1.117 56.360 55.300 -0.094 0.000 1.099 188 M CB -1.540 31.042 32.600 -0.029 0.000 1.427 188 M HN 0.478 nan 8.290 nan 0.000 0.489 189 G N 1.214 109.987 108.800 -0.045 0.000 2.622 189 G HA2 -0.364 3.596 3.960 0.000 0.000 0.307 189 G HA3 -0.364 3.596 3.960 0.000 0.000 0.307 189 G C 0.940 176.000 174.900 0.267 0.000 1.226 189 G CA 1.208 46.419 45.100 0.185 0.000 0.997 189 G HN 0.576 nan 8.290 nan 0.000 0.551 190 A N -0.499 122.492 122.820 0.285 0.000 2.169 190 A HA 0.366 4.686 4.320 0.000 0.000 0.212 190 A C 1.386 179.019 177.584 0.082 0.000 1.153 190 A CA 1.662 53.814 52.037 0.191 0.000 0.756 190 A CB -0.043 19.086 19.000 0.214 0.000 0.813 190 A HN 0.658 nan 8.150 nan 0.000 0.471 191 D N 0.716 121.189 120.400 0.121 0.000 2.688 191 D HA 0.327 4.967 4.640 0.000 0.000 0.228 191 D C -0.302 176.143 176.300 0.241 0.000 1.116 191 D CA 0.408 54.505 54.000 0.161 0.000 1.023 191 D CB -0.412 40.490 40.800 0.171 0.000 1.100 191 D HN 0.169 nan 8.370 nan 0.000 0.487 192 S N 1.039 116.883 115.700 0.240 0.000 2.570 192 S HA 0.360 4.830 4.470 0.000 0.000 0.270 192 S C 0.296 175.004 174.600 0.180 0.000 1.149 192 S CA -0.727 57.572 58.200 0.165 0.000 0.837 192 S CB 0.925 64.161 63.200 0.061 0.000 1.124 192 S HN 0.216 nan 8.310 nan 0.000 0.465 193 L N 2.070 123.344 121.223 0.086 0.000 2.585 193 L HA 0.261 4.601 4.340 0.000 0.000 0.226 193 L C 0.645 177.576 176.870 0.100 0.000 1.113 193 L CA 0.645 55.565 54.840 0.133 0.000 0.876 193 L CB 0.479 42.589 42.059 0.085 0.000 1.072 193 L HN 0.899 nan 8.230 nan 0.000 0.468 194 T N -3.076 111.521 114.554 0.072 0.000 3.658 194 T HA 0.363 4.713 4.350 0.000 0.000 0.245 194 T C -2.604 172.116 174.700 0.034 0.000 1.292 194 T CA -1.525 60.618 62.100 0.072 0.000 1.598 194 T CB 0.362 69.300 68.868 0.117 0.000 0.861 194 T HN -0.230 nan 8.240 nan 0.000 0.663 195 P HA 0.233 nan 4.420 nan 0.000 0.265 195 P C 0.084 177.423 177.300 0.066 0.000 1.187 195 P CA 0.220 63.290 63.100 -0.049 0.000 0.766 195 P CB 0.450 31.909 31.700 -0.402 0.000 0.820 196 T N 2.124 116.785 114.554 0.179 0.000 2.907 196 T HA 0.412 4.762 4.350 0.000 0.000 0.284 196 T C -0.593 174.262 174.700 0.258 0.000 1.004 196 T CA -0.105 62.100 62.100 0.175 0.000 1.063 196 T CB 0.564 69.515 68.868 0.137 0.000 0.992 196 T HN 0.404 nan 8.240 nan 0.000 0.483 197 c N 4.732 123.434 118.600 0.171 0.000 2.505 197 c HA 0.364 4.934 4.570 0.000 0.000 0.342 197 c C -0.437 173.702 174.090 0.082 0.000 1.121 197 c CA -1.151 55.266 56.329 0.146 0.000 1.306 197 c CB -0.150 42.455 42.510 0.158 0.000 1.897 197 c HN 1.034 nan 8.230 nan 0.000 0.446 198 D N 3.382 123.816 120.400 0.056 0.000 2.423 198 D HA -0.012 4.628 4.640 0.000 0.000 0.238 198 D C 0.293 176.611 176.300 0.030 0.000 1.142 198 D CA 0.155 54.179 54.000 0.039 0.000 0.884 198 D CB 0.973 41.787 40.800 0.023 0.000 1.199 198 D HN 0.584 nan 8.370 nan 0.000 0.438 199 T N 0.942 115.511 114.554 0.025 0.000 3.268 199 T HA 0.028 4.378 4.350 0.000 0.000 0.244 199 T C 0.077 174.784 174.700 0.012 0.000 0.915 199 T CA -0.557 61.554 62.100 0.019 0.000 0.935 199 T CB -0.368 68.511 68.868 0.019 0.000 1.110 199 T HN 0.343 nan 8.240 nan 0.000 0.573 200 D N 3.695 124.100 120.400 0.008 0.000 2.483 200 D HA 0.230 4.870 4.640 0.000 0.000 0.220 200 D C 0.060 176.361 176.300 0.002 0.000 1.173 200 D CA -0.056 53.946 54.000 0.003 0.000 0.964 200 D CB -0.456 40.343 40.800 -0.002 0.000 1.046 200 D HN 0.662 nan 8.370 nan 0.000 0.517 205 T N 1.379 115.875 114.554 -0.096 0.000 2.788 205 T HA -0.074 4.276 4.350 0.000 0.000 0.268 205 T C 2.044 176.620 174.700 -0.206 0.000 1.044 205 T CA 1.684 63.644 62.100 -0.234 0.000 1.139 205 T CB -0.819 67.755 68.868 -0.490 0.000 0.867 205 T HN 0.661 nan 8.240 nan 0.000 0.454 206 c N 2.185 120.738 118.600 -0.078 0.000 2.413 206 c HA -0.135 4.435 4.570 0.000 0.000 0.276 206 c C 2.263 176.355 174.090 0.004 0.000 1.248 206 c CA 0.951 57.280 56.329 -0.000 0.000 1.742 206 c CB -1.191 41.353 42.510 0.057 0.000 2.017 206 c HN 0.513 nan 8.230 nan 0.000 0.481 207 D N 0.336 120.733 120.400 -0.005 0.000 2.269 207 D HA -0.069 4.571 4.640 0.000 0.000 0.208 207 D C 1.055 177.357 176.300 0.003 0.000 0.963 207 D CA 0.904 54.910 54.000 0.010 0.000 0.864 207 D CB -0.466 40.335 40.800 0.001 0.000 0.936 207 D HN 0.632 nan 8.370 nan 0.000 0.505 208 N N 0.544 119.219 118.700 -0.040 0.000 2.270 208 N HA 0.084 4.824 4.740 0.000 0.000 0.198 208 N C 0.440 175.903 175.510 -0.078 0.000 1.117 208 N CA -0.025 52.994 53.050 -0.052 0.000 0.845 208 N CB 0.813 39.254 38.487 -0.076 0.000 0.980 208 N HN 0.223 nan 8.380 nan 0.000 0.486 209 L N 1.155 122.318 121.223 -0.100 0.000 2.490 209 L HA -0.000 4.340 4.340 0.000 0.000 0.274 209 L C 1.943 178.735 176.870 -0.131 0.000 1.201 209 L CA 0.149 54.848 54.840 -0.235 0.000 0.869 209 L CB 0.561 42.337 42.059 -0.471 0.000 1.123 209 L HN 0.152 nan 8.230 nan 0.000 0.484 210 T N -1.621 112.834 114.554 -0.165 0.000 3.054 210 T HA -0.051 4.299 4.350 0.000 0.000 0.259 210 T C 0.659 175.386 174.700 0.046 0.000 1.092 210 T CA 0.114 62.202 62.100 -0.021 0.000 1.121 210 T CB -0.213 68.637 68.868 -0.031 0.000 0.912 210 T HN 0.554 nan 8.240 nan 0.000 0.489 211 Y N 1.308 121.524 120.300 -0.140 0.000 3.929 211 Y HA -0.147 4.403 4.550 0.000 0.000 0.225 211 Y C 0.210 176.088 175.900 -0.037 0.000 1.200 211 Y CA 0.238 58.189 58.100 -0.248 0.000 1.791 211 Y CB -2.413 35.635 38.460 -0.688 0.000 1.561 211 Y HN 0.384 nan 8.280 nan 0.000 0.657 212 Q N 0.249 120.093 119.800 0.074 0.000 2.397 212 Q HA 0.839 5.179 4.340 0.000 0.000 0.275 212 Q C -0.584 175.335 176.000 -0.136 0.000 1.090 212 Q CA -0.765 55.107 55.803 0.115 0.000 0.809 212 Q CB 3.058 31.864 28.738 0.114 0.000 1.362 212 Q HN 0.347 nan 8.270 nan 0.000 0.431 213 L N 1.479 122.451 121.223 -0.419 0.000 2.465 213 L HA 0.330 4.670 4.340 0.000 0.000 0.257 213 L C -1.813 174.845 176.870 -0.353 0.000 0.988 213 L CA -1.950 52.654 54.840 -0.394 0.000 0.827 213 L CB 2.697 44.477 42.059 -0.466 0.000 1.397 213 L HN 0.282 nan 8.230 nan 0.000 0.410 214 P HA -0.222 nan 4.420 nan 0.000 0.218 214 P C 1.076 178.355 177.300 -0.034 0.000 1.152 214 P CA 1.187 64.247 63.100 -0.067 0.000 0.857 214 P CB 0.219 31.896 31.700 -0.038 0.000 0.787 215 Q N -2.038 117.712 119.800 -0.083 0.000 2.234 215 Q HA -0.153 4.187 4.340 0.000 0.000 0.206 215 Q C 1.880 178.011 176.000 0.218 0.000 0.980 215 Q CA 1.163 56.994 55.803 0.046 0.000 0.869 215 Q CB -0.682 28.090 28.738 0.058 0.000 0.912 215 Q HN 0.342 nan 8.270 nan 0.000 0.436 216 F N 1.095 121.098 119.950 0.088 0.000 2.293 216 F HA -0.095 4.432 4.527 0.000 0.000 0.300 216 F C 2.103 177.958 175.800 0.092 0.000 1.086 216 F CA 0.627 58.683 58.000 0.093 0.000 1.375 216 F CB -0.507 38.561 39.000 0.112 0.000 1.045 216 F HN 0.060 nan 8.300 nan 0.000 0.516 217 K N -0.051 120.494 120.400 0.242 0.000 2.097 217 K HA -0.080 4.240 4.320 0.000 0.000 0.205 217 K C 2.104 178.786 176.600 0.138 0.000 1.050 217 K CA 1.187 57.569 56.287 0.158 0.000 0.938 217 K CB -0.393 32.170 32.500 0.105 0.000 0.718 217 K HN 0.089 nan 8.250 nan 0.000 0.442 218 V N 1.347 121.344 119.914 0.138 0.000 2.427 218 V HA -0.236 3.884 4.120 0.000 0.000 0.248 218 V C 2.329 178.503 176.094 0.132 0.000 1.051 218 V CA 1.986 64.356 62.300 0.117 0.000 1.048 218 V CB -0.610 31.278 31.823 0.108 0.000 0.666 218 V HN 0.336 nan 8.190 nan 0.000 0.456 219 A N 0.176 123.109 122.820 0.188 0.000 1.858 219 A HA -0.100 4.220 4.320 0.000 0.000 0.216 219 A C 2.466 180.146 177.584 0.161 0.000 1.190 219 A CA 2.074 54.237 52.037 0.209 0.000 0.617 219 A CB -0.920 18.288 19.000 0.347 0.000 0.827 219 A HN 0.549 nan 8.150 nan 0.000 0.443 220 A N -0.035 122.884 122.820 0.166 0.000 1.892 220 A HA 0.063 4.383 4.320 0.000 0.000 0.218 220 A C 2.544 180.181 177.584 0.089 0.000 1.188 220 A CA 2.550 54.663 52.037 0.126 0.000 0.631 220 A CB -1.179 17.896 19.000 0.125 0.000 0.822 220 A HN 1.147 nan 8.150 nan 0.000 0.447 221 A N -0.566 122.304 122.820 0.084 0.000 1.902 221 A HA -0.192 4.128 4.320 0.000 0.000 0.217 221 A C 2.291 179.903 177.584 0.046 0.000 1.181 221 A CA 1.871 53.944 52.037 0.061 0.000 0.623 221 A CB -0.514 18.521 19.000 0.059 0.000 0.818 221 A HN 0.575 nan 8.150 nan 0.000 0.443 222 R N -0.377 120.152 120.500 0.048 0.000 2.075 222 R HA -0.021 4.319 4.340 0.000 0.000 0.232 222 R C 1.990 178.294 176.300 0.006 0.000 1.126 222 R CA 1.338 57.453 56.100 0.025 0.000 0.963 222 R CB -0.351 29.962 30.300 0.023 0.000 0.858 222 R HN 0.532 nan 8.270 nan 0.000 0.435 223 L N 0.828 122.057 121.223 0.009 0.000 2.027 223 L HA -0.183 4.157 4.340 0.000 0.000 0.206 223 L C 2.069 178.945 176.870 0.011 0.000 1.074 223 L CA 1.159 55.994 54.840 -0.009 0.000 0.745 223 L CB -0.641 41.424 42.059 0.010 0.000 0.898 223 L HN 0.267 nan 8.230 nan 0.000 0.433 224 N N -0.498 118.219 118.700 0.029 0.000 2.166 224 N HA -0.181 4.559 4.740 0.000 0.000 0.186 224 N C 2.077 177.597 175.510 0.017 0.000 1.019 224 N CA 1.604 54.671 53.050 0.029 0.000 0.856 224 N CB -0.226 38.283 38.487 0.036 0.000 0.993 224 N HN 0.184 nan 8.380 nan 0.000 0.426 225 S N 0.691 116.400 115.700 0.014 0.000 2.383 225 S HA -0.064 4.406 4.470 0.000 0.000 0.227 225 S C 1.711 176.311 174.600 -0.001 0.000 1.026 225 S CA 0.960 59.165 58.200 0.008 0.000 0.981 225 S CB 0.025 63.231 63.200 0.010 0.000 0.818 225 S HN 0.334 nan 8.310 nan 0.000 0.472 226 Q N 0.225 120.022 119.800 -0.006 0.000 2.245 226 Q HA 0.159 4.499 4.340 0.000 0.000 0.201 226 Q C -0.107 175.886 176.000 -0.012 0.000 0.955 226 Q CA 0.590 56.385 55.803 -0.013 0.000 0.870 226 Q CB 0.097 28.819 28.738 -0.026 0.000 0.945 226 Q HN 0.457 nan 8.270 nan 0.000 0.461 227 N N 0.853 119.552 118.700 -0.003 0.000 2.707 227 N HA 0.257 4.997 4.740 0.000 0.000 0.249 227 N C -2.867 172.643 175.510 -0.000 0.000 1.299 227 N CA -1.040 52.007 53.050 -0.004 0.000 0.769 227 N CB 1.862 40.376 38.487 0.044 0.000 1.236 227 N HN -0.039 nan 8.380 nan 0.000 0.524 228 P HA 0.167 nan 4.420 nan 0.000 0.268 228 P C 0.989 178.287 177.300 -0.004 0.000 1.205 228 P CA 0.681 63.779 63.100 -0.003 0.000 0.771 228 P CB 0.721 32.417 31.700 -0.008 0.000 0.858 229 G N 1.499 110.304 108.800 0.009 0.000 2.201 229 G HA2 -0.258 3.702 3.960 0.000 0.000 0.212 229 G HA3 -0.258 3.702 3.960 0.000 0.000 0.212 229 G C 0.805 175.722 174.900 0.028 0.000 0.994 229 G CA 0.181 45.288 45.100 0.012 0.000 0.644 229 G HN 0.451 nan 8.290 nan 0.000 0.508 230 M N -0.109 119.514 119.600 0.038 0.000 2.435 230 M HA 0.205 4.685 4.480 0.000 0.000 0.265 230 M C 1.286 177.613 176.300 0.045 0.000 1.104 230 M CA 0.979 56.311 55.300 0.052 0.000 1.140 230 M CB 0.015 32.654 32.600 0.066 0.000 1.372 230 M HN 0.280 nan 8.290 nan 0.000 0.456 231 N N 1.870 120.594 118.700 0.040 0.000 2.727 231 N HA -0.153 4.587 4.740 0.000 0.000 0.249 231 N C -1.091 174.446 175.510 0.045 0.000 1.048 231 N CA 0.350 53.424 53.050 0.039 0.000 0.714 231 N CB -1.344 37.164 38.487 0.034 0.000 0.959 231 N HN 0.345 nan 8.380 nan 0.000 0.544 232 L N 0.162 121.417 121.223 0.052 0.000 2.416 232 L HA 0.269 4.609 4.340 0.000 0.000 0.272 232 L C 1.557 178.466 176.870 0.065 0.000 1.161 232 L CA 0.268 55.144 54.840 0.059 0.000 0.845 232 L CB 0.656 42.759 42.059 0.073 0.000 1.119 232 L HN 0.424 nan 8.230 nan 0.000 0.464 233 T N -0.969 113.625 114.554 0.066 0.000 2.922 233 T HA 0.509 4.859 4.350 0.000 0.000 0.281 233 T C 1.028 175.788 174.700 0.100 0.000 1.005 233 T CA -0.169 61.977 62.100 0.077 0.000 0.982 233 T CB 1.629 70.538 68.868 0.068 0.000 1.158 233 T HN 0.553 nan 8.240 nan 0.000 0.566 234 A N 0.511 123.408 122.820 0.127 0.000 2.019 234 A HA 0.037 4.357 4.320 0.000 0.000 0.219 234 A C 2.481 180.168 177.584 0.171 0.000 1.164 234 A CA 1.841 53.993 52.037 0.191 0.000 0.644 234 A CB -1.424 17.716 19.000 0.234 0.000 0.805 234 A HN 0.767 nan 8.150 nan 0.000 0.449 235 S N 0.149 115.929 115.700 0.134 0.000 2.371 235 S HA -0.110 4.360 4.470 0.000 0.000 0.224 235 S C 1.532 176.188 174.600 0.094 0.000 1.029 235 S CA 1.130 59.407 58.200 0.129 0.000 0.978 235 S CB -0.331 62.925 63.200 0.093 0.000 0.833 235 S HN 0.606 nan 8.310 nan 0.000 0.466 236 D N 1.330 121.763 120.400 0.054 0.000 2.144 236 D HA -0.059 4.581 4.640 0.000 0.000 0.199 236 D C 2.045 178.322 176.300 -0.038 0.000 0.984 236 D CA 0.739 54.746 54.000 0.012 0.000 0.834 236 D CB -0.453 40.361 40.800 0.024 0.000 0.955 236 D HN 0.182 nan 8.370 nan 0.000 0.465 237 V N 0.855 120.751 119.914 -0.030 0.000 2.295 237 V HA -0.282 3.838 4.120 0.000 0.000 0.246 237 V C 2.248 178.062 176.094 -0.466 0.000 1.049 237 V CA 1.487 63.702 62.300 -0.141 0.000 1.024 237 V CB -0.667 31.121 31.823 -0.057 0.000 0.648 237 V HN 0.180 nan 8.190 nan 0.000 0.447 238 Y N 1.822 121.811 120.300 -0.518 0.000 2.128 238 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 238 Y C 2.507 178.247 175.900 -0.267 0.000 1.154 238 Y CA 2.191 59.988 58.100 -0.504 0.000 1.149 238 Y CB -0.425 37.925 38.460 -0.184 0.000 0.976 238 Y HN 0.293 nan 8.280 nan 0.000 0.505 239 N N 0.288 118.838 118.700 -0.250 0.000 2.244 239 N HA -0.127 4.613 4.740 0.000 0.000 0.183 239 N C 1.865 177.174 175.510 -0.334 0.000 1.016 239 N CA 1.409 54.301 53.050 -0.264 0.000 0.866 239 N CB -0.276 38.165 38.487 -0.077 0.000 0.980 239 N HN 0.431 nan 8.380 nan 0.000 0.430 240 L N 0.343 121.343 121.223 -0.372 0.000 2.217 240 L HA 0.022 4.362 4.340 0.000 0.000 0.211 240 L C 2.275 178.837 176.870 -0.513 0.000 1.107 240 L CA 0.637 55.226 54.840 -0.418 0.000 0.783 240 L CB -0.163 41.757 42.059 -0.231 0.000 0.919 240 L HN 0.119 nan 8.230 nan 0.000 0.442 241 M N -1.445 117.634 119.600 -0.868 0.000 2.236 241 M HA -0.127 4.353 4.480 0.000 0.000 0.266 241 M C 2.271 178.082 176.300 -0.815 0.000 1.070 241 M CA 0.996 55.543 55.300 -1.255 0.000 1.137 241 M CB -0.118 31.187 32.600 -2.157 0.000 1.378 241 M HN 0.039 nan 8.290 nan 0.000 0.426 242 V N 0.882 120.456 119.914 -0.567 0.000 2.287 242 V HA -0.331 3.789 4.120 0.000 0.000 0.248 242 V C 2.430 178.651 176.094 0.212 0.000 1.053 242 V CA 2.110 64.407 62.300 -0.004 0.000 1.027 242 V CB -0.620 31.183 31.823 -0.032 0.000 0.646 242 V HN 0.566 nan 8.190 nan 0.000 0.447 243 M N 0.169 119.811 119.600 0.069 0.000 2.080 243 M HA -0.194 4.286 4.480 0.000 0.000 0.260 243 M C 2.160 178.662 176.300 0.337 0.000 1.068 243 M CA 2.485 57.938 55.300 0.255 0.000 1.109 243 M CB -0.346 32.269 32.600 0.025 0.000 1.342 243 M HN 0.321 nan 8.290 nan 0.000 0.405 244 A N 0.352 123.269 122.820 0.163 0.000 1.902 244 A HA -0.183 4.137 4.320 0.000 0.000 0.217 244 A C 2.232 179.951 177.584 0.226 0.000 1.181 244 A CA 2.379 54.598 52.037 0.303 0.000 0.623 244 A CB -1.166 18.132 19.000 0.498 0.000 0.818 244 A HN 0.777 nan 8.150 nan 0.000 0.443 245 S N -1.140 114.674 115.700 0.190 0.000 2.382 245 S HA -0.116 4.354 4.470 0.000 0.000 0.228 245 S C 1.679 176.110 174.600 -0.282 0.000 1.027 245 S CA 1.388 59.544 58.200 -0.073 0.000 0.991 245 S CB -0.765 62.430 63.200 -0.008 0.000 0.823 245 S HN 0.367 nan 8.310 nan 0.000 0.469 246 F N 2.167 122.079 119.950 -0.064 0.000 2.407 246 F HA 0.173 4.700 4.527 0.000 0.000 0.299 246 F C 2.568 178.166 175.800 -0.336 0.000 1.097 246 F CA 0.914 58.867 58.000 -0.079 0.000 1.422 246 F CB -0.328 38.785 39.000 0.189 0.000 1.067 246 F HN 0.300 nan 8.300 nan 0.000 0.539 247 E N 0.663 120.695 120.200 -0.280 0.000 2.085 247 E HA -0.218 4.132 4.350 0.000 0.000 0.194 247 E C 2.213 178.601 176.600 -0.354 0.000 0.994 247 E CA 1.127 57.108 56.400 -0.699 0.000 0.801 247 E CB -0.218 29.398 29.700 -0.140 0.000 0.743 247 E HN 0.399 nan 8.360 nan 0.000 0.453 248 L N 1.033 122.117 121.223 -0.232 0.000 2.127 248 L HA -0.208 4.132 4.340 0.000 0.000 0.211 248 L C 1.987 178.752 176.870 -0.175 0.000 1.089 248 L CA 0.736 55.442 54.840 -0.222 0.000 0.757 248 L CB -0.489 41.296 42.059 -0.456 0.000 0.899 248 L HN 0.182 nan 8.230 nan 0.000 0.434 249 N N 0.099 118.667 118.700 -0.221 0.000 2.364 249 N HA -0.132 4.608 4.740 0.000 0.000 0.183 249 N C 1.478 176.919 175.510 -0.114 0.000 1.022 249 N CA 1.404 54.373 53.050 -0.135 0.000 0.883 249 N CB -0.023 38.398 38.487 -0.109 0.000 0.965 249 N HN 0.373 nan 8.380 nan 0.000 0.438 250 A N -0.635 122.099 122.820 -0.142 0.000 2.287 250 A HA 0.318 4.638 4.320 0.000 0.000 0.214 250 A C 0.670 178.249 177.584 -0.008 0.000 1.228 250 A CA -0.036 51.948 52.037 -0.089 0.000 0.939 250 A CB 0.675 19.651 19.000 -0.039 0.000 0.992 250 A HN 0.046 nan 8.150 nan 0.000 0.502 251 R N -0.560 119.946 120.500 0.010 0.000 2.795 251 R HA 0.367 4.707 4.340 0.000 0.000 0.275 251 R C -2.200 174.153 176.300 0.089 0.000 0.981 251 R CA -1.764 54.377 56.100 0.069 0.000 0.917 251 R CB 1.876 32.249 30.300 0.123 0.000 1.202 251 R HN -0.066 nan 8.270 nan 0.000 0.469 252 P HA -0.077 nan 4.420 nan 0.000 0.219 252 P C -0.444 176.593 177.300 -0.439 0.000 1.150 252 P CA 1.395 64.319 63.100 -0.293 0.000 0.814 252 P CB 0.370 31.767 31.700 -0.504 0.000 0.787 253 F N -1.308 118.726 119.950 0.140 0.000 2.603 253 F HA 0.527 5.054 4.527 0.000 0.000 0.317 253 F C 0.224 176.085 175.800 0.102 0.000 1.066 253 F CA -1.080 56.984 58.000 0.106 0.000 0.941 253 F CB 1.819 40.858 39.000 0.064 0.000 1.291 253 F HN -0.370 nan 8.300 nan 0.000 0.472 254 S N 1.071 116.918 115.700 0.245 0.000 2.756 254 S HA 0.335 4.805 4.470 0.000 0.000 0.303 254 S C 0.029 174.654 174.600 0.041 0.000 1.135 254 S CA -0.738 57.580 58.200 0.196 0.000 1.066 254 S CB 0.415 63.731 63.200 0.193 0.000 1.008 254 S HN 0.620 nan 8.310 nan 0.000 0.482 255 N N 3.162 121.733 118.700 -0.215 0.000 2.396 255 N HA -0.019 4.721 4.740 0.000 0.000 0.180 255 N C 0.900 175.939 175.510 -0.785 0.000 1.028 255 N CA 0.831 53.448 53.050 -0.720 0.000 0.893 255 N CB -0.168 37.422 38.487 -1.496 0.000 0.967 255 N HN 0.788 nan 8.380 nan 0.000 0.440 256 W N 1.491 122.497 121.300 -0.490 0.000 2.392 256 W HA 0.093 4.753 4.660 0.000 0.000 0.279 256 W C 2.008 178.660 176.519 0.221 0.000 1.225 256 W CA 0.188 57.491 57.345 -0.070 0.000 1.233 256 W CB -0.241 29.293 29.460 0.123 0.000 1.122 256 W HN -0.005 nan 8.180 nan 0.000 0.561 257 I N 0.526 121.373 120.570 0.461 0.000 2.286 257 I HA -0.337 3.833 4.170 0.000 0.000 0.248 257 I C 1.755 178.200 176.117 0.548 0.000 1.115 257 I CA 1.110 62.778 61.300 0.613 0.000 1.392 257 I CB -0.499 37.609 38.000 0.180 0.000 1.065 257 I HN -0.007 nan 8.210 nan 0.000 0.418 258 N N 1.065 119.881 118.700 0.192 0.000 2.459 258 N HA -0.049 4.691 4.740 0.000 0.000 0.181 258 N C 1.644 177.166 175.510 0.020 0.000 1.046 258 N CA 1.074 54.176 53.050 0.086 0.000 0.904 258 N CB -0.091 38.362 38.487 -0.057 0.000 0.964 258 N HN 0.314 nan 8.380 nan 0.000 0.444 259 A N -0.311 122.459 122.820 -0.084 0.000 2.206 259 A HA 0.144 4.464 4.320 0.000 0.000 0.211 259 A C 0.235 177.483 177.584 -0.561 0.000 1.158 259 A CA 0.345 52.162 52.037 -0.367 0.000 0.761 259 A CB -0.120 18.542 19.000 -0.562 0.000 0.801 259 A HN 0.069 nan 8.150 nan 0.000 0.473 260 F N -0.425 119.611 119.950 0.144 0.000 2.507 260 F HA 0.471 4.998 4.527 0.000 0.000 0.327 260 F C 1.006 176.898 175.800 0.154 0.000 1.068 260 F CA -0.494 57.529 58.000 0.039 0.000 0.965 260 F CB 1.303 40.128 39.000 -0.291 0.000 1.192 260 F HN 0.002 nan 8.300 nan 0.000 0.476 261 T N -1.926 112.796 114.554 0.280 0.000 2.816 261 T HA 0.177 4.527 4.350 0.000 0.000 0.282 261 T C 0.836 175.751 174.700 0.358 0.000 0.993 261 T CA -0.487 61.768 62.100 0.257 0.000 0.994 261 T CB 1.267 70.237 68.868 0.171 0.000 1.025 261 T HN 0.595 nan 8.240 nan 0.000 0.529 262 Q N 0.303 120.279 119.800 0.292 0.000 2.096 262 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 262 Q C 1.596 177.739 176.000 0.238 0.000 0.982 262 Q CA 2.101 58.073 55.803 0.282 0.000 0.850 262 Q CB -0.682 28.175 28.738 0.200 0.000 0.901 262 Q HN 0.783 nan 8.270 nan 0.000 0.422 263 D N -0.327 120.189 120.400 0.194 0.000 2.219 263 D HA -0.115 4.525 4.640 0.000 0.000 0.205 263 D C 1.471 177.885 176.300 0.190 0.000 0.970 263 D CA 0.917 55.019 54.000 0.170 0.000 0.851 263 D CB 0.003 40.885 40.800 0.137 0.000 0.943 263 D HN 0.455 nan 8.370 nan 0.000 0.488 264 E N -0.579 119.743 120.200 0.203 0.000 2.072 264 E HA -0.108 4.242 4.350 0.000 0.000 0.190 264 E C 1.919 178.641 176.600 0.205 0.000 0.982 264 E CA 0.620 57.135 56.400 0.193 0.000 0.803 264 E CB -0.111 29.674 29.700 0.142 0.000 0.755 264 E HN 0.367 nan 8.360 nan 0.000 0.453 265 W N 0.250 121.695 121.300 0.242 0.000 2.363 265 W HA -0.191 4.469 4.660 -0.000 0.000 0.296 265 W C 2.172 178.835 176.519 0.240 0.000 1.212 265 W CA 0.406 57.900 57.345 0.249 0.000 1.260 265 W CB -0.285 29.273 29.460 0.163 0.000 1.131 265 W HN -0.061 nan 8.180 nan 0.000 0.530 266 V N -0.581 119.498 119.914 0.275 0.000 2.332 266 V HA -0.328 3.792 4.120 0.000 0.000 0.248 266 V C 2.136 178.397 176.094 0.280 0.000 1.055 266 V CA 2.169 64.566 62.300 0.161 0.000 1.038 266 V CB -1.071 30.819 31.823 0.110 0.000 0.651 266 V HN 0.094 nan 8.190 nan 0.000 0.450 267 S N -0.854 115.003 115.700 0.262 0.000 2.371 267 S HA -0.109 4.361 4.470 0.000 0.000 0.224 267 S C 1.738 176.563 174.600 0.376 0.000 1.029 267 S CA 1.399 59.713 58.200 0.190 0.000 0.978 267 S CB -0.352 62.845 63.200 -0.005 0.000 0.833 267 S HN 0.598 nan 8.310 nan 0.000 0.466 268 F N 2.575 122.794 119.950 0.448 0.000 2.075 268 F HA -0.041 4.486 4.527 0.000 0.000 0.297 268 F C 2.311 178.393 175.800 0.469 0.000 1.113 268 F CA 1.518 59.846 58.000 0.546 0.000 1.218 268 F CB -1.099 38.074 39.000 0.288 0.000 0.984 268 F HN 0.226 nan 8.300 nan 0.000 0.472 269 G N -1.285 107.795 108.800 0.467 0.000 2.469 269 G HA2 -0.384 3.576 3.960 0.000 0.000 0.220 269 G HA3 -0.384 3.576 3.960 0.000 0.000 0.220 269 G C 1.609 176.614 174.900 0.176 0.000 1.136 269 G CA 1.151 46.431 45.100 0.300 0.000 0.759 269 G HN 0.526 nan 8.290 nan 0.000 0.562 270 Y N 0.778 121.132 120.300 0.089 0.000 2.263 270 Y HA -0.001 4.549 4.550 -0.000 0.000 0.292 270 Y C 2.817 178.721 175.900 0.006 0.000 1.130 270 Y CA 1.082 59.186 58.100 0.006 0.000 1.179 270 Y CB -0.131 38.279 38.460 -0.083 0.000 0.998 270 Y HN 0.042 nan 8.280 nan 0.000 0.532 271 V N 0.490 120.427 119.914 0.040 0.000 2.343 271 V HA -0.254 3.866 4.120 0.000 0.000 0.247 271 V C 2.216 178.267 176.094 -0.072 0.000 1.051 271 V CA 2.181 64.463 62.300 -0.031 0.000 1.036 271 V CB -0.426 31.520 31.823 0.206 0.000 0.654 271 V HN 0.381 nan 8.190 nan 0.000 0.451 272 E N -0.222 119.949 120.200 -0.047 0.000 2.106 272 E HA -0.178 4.172 4.350 0.000 0.000 0.192 272 E C 1.952 178.661 176.600 0.180 0.000 0.984 272 E CA 1.118 57.560 56.400 0.071 0.000 0.806 272 E CB -0.416 29.296 29.700 0.020 0.000 0.750 272 E HN 0.608 nan 8.360 nan 0.000 0.458 273 D N 0.908 121.340 120.400 0.054 0.000 2.117 273 D HA -0.115 4.525 4.640 0.000 0.000 0.197 273 D C 2.208 178.568 176.300 0.100 0.000 0.987 273 D CA 0.583 54.643 54.000 0.100 0.000 0.829 273 D CB -0.262 40.504 40.800 -0.056 0.000 0.961 273 D HN 0.169 nan 8.370 nan 0.000 0.460 274 L N 0.976 122.104 121.223 -0.158 0.000 2.083 274 L HA -0.167 4.173 4.340 0.000 0.000 0.209 274 L C 2.349 179.287 176.870 0.113 0.000 1.083 274 L CA 0.927 55.723 54.840 -0.074 0.000 0.752 274 L CB -0.534 41.397 42.059 -0.213 0.000 0.899 274 L HN 0.123 nan 8.230 nan 0.000 0.433 275 N N 0.134 118.863 118.700 0.048 0.000 2.043 275 N HA -0.259 4.481 4.740 0.000 0.000 0.193 275 N C 2.076 177.632 175.510 0.076 0.000 1.037 275 N CA 1.850 54.932 53.050 0.054 0.000 0.851 275 N CB -0.182 38.346 38.487 0.069 0.000 1.027 275 N HN 0.232 nan 8.380 nan 0.000 0.422 276 Y N -0.032 120.368 120.300 0.166 0.000 2.181 276 Y HA -0.206 4.344 4.550 0.000 0.000 0.288 276 Y C 2.439 178.444 175.900 0.176 0.000 1.146 276 Y CA 1.659 59.881 58.100 0.204 0.000 1.164 276 Y CB -0.910 37.707 38.460 0.263 0.000 0.982 276 Y HN 0.191 nan 8.280 nan 0.000 0.515 277 Y N -0.804 119.579 120.300 0.138 0.000 2.114 277 Y HA -0.357 4.193 4.550 -0.000 0.000 0.282 277 Y C 1.846 177.478 175.900 -0.447 0.000 1.165 277 Y CA 1.768 59.584 58.100 -0.474 0.000 1.148 277 Y CB -0.771 37.207 38.460 -0.803 0.000 0.972 277 Y HN 0.145 nan 8.280 nan 0.000 0.504 278 Y N -2.470 117.789 120.300 -0.068 0.000 2.448 278 Y HA -0.019 4.531 4.550 0.000 0.000 0.289 278 Y C 2.481 178.326 175.900 -0.093 0.000 1.114 278 Y CA 0.892 58.920 58.100 -0.120 0.000 1.235 278 Y CB -0.483 37.959 38.460 -0.030 0.000 1.045 278 Y HN 0.162 nan 8.280 nan 0.000 0.554 279 c N -1.424 117.226 118.600 0.084 0.000 2.551 279 c HA 0.511 5.081 4.570 0.000 0.000 0.277 279 c C 1.917 176.019 174.090 0.021 0.000 1.349 279 c CA 0.647 57.002 56.329 0.043 0.000 1.750 279 c CB -0.595 41.930 42.510 0.026 0.000 2.058 279 c HN 0.426 nan 8.230 nan 0.000 0.518 280 A N -0.243 122.598 122.820 0.035 0.000 2.543 280 A HA 0.637 4.957 4.320 0.000 0.000 0.279 280 A C 0.421 178.051 177.584 0.076 0.000 0.917 280 A CA 0.578 52.657 52.037 0.069 0.000 1.036 280 A CB -0.312 18.768 19.000 0.134 0.000 1.227 280 A HN 0.505 nan 8.150 nan 0.000 0.503 281 G N -0.809 107.952 108.800 -0.064 0.000 3.021 281 G HA2 0.546 4.506 3.960 0.000 0.000 0.290 281 G HA3 0.546 4.506 3.960 0.000 0.000 0.290 281 G C -2.500 172.150 174.900 -0.416 0.000 1.291 281 G CA -0.901 44.107 45.100 -0.154 0.000 0.834 281 G HN -0.163 nan 8.290 nan 0.000 0.564 282 P HA -0.009 nan 4.420 nan 0.000 0.222 282 P C 1.716 178.554 177.300 -0.769 0.000 1.142 282 P CA 1.563 64.336 63.100 -0.544 0.000 0.788 282 P CB 0.122 31.605 31.700 -0.361 0.000 0.767 283 G N -1.348 106.618 108.800 -1.390 0.000 2.534 283 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 283 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 283 G C 0.258 175.000 174.900 -0.264 0.000 1.128 283 G CA 0.185 44.691 45.100 -0.989 0.000 0.784 283 G HN 0.234 nan 8.290 nan 0.000 0.542 284 D N -0.013 120.234 120.400 -0.255 0.000 2.440 284 D HA 0.171 4.811 4.640 0.000 0.000 0.239 284 D C 1.493 177.741 176.300 -0.087 0.000 1.084 284 D CA -0.695 53.252 54.000 -0.088 0.000 0.843 284 D CB 1.269 42.037 40.800 -0.054 0.000 1.097 284 D HN 0.270 nan 8.370 nan 0.000 0.531 285 K N 2.602 122.975 120.400 -0.046 0.000 2.360 285 K HA -0.069 4.251 4.320 0.000 0.000 0.201 285 K C 0.558 177.154 176.600 -0.007 0.000 1.046 285 K CA 0.786 57.056 56.287 -0.029 0.000 0.945 285 K CB 0.123 32.616 32.500 -0.011 0.000 0.750 285 K HN 0.125 nan 8.250 nan 0.000 0.464 286 N N 0.481 119.182 118.700 0.003 0.000 2.422 286 N HA 0.032 4.772 4.740 0.000 0.000 0.181 286 N C 1.320 176.855 175.510 0.041 0.000 1.080 286 N CA 0.584 53.652 53.050 0.030 0.000 0.893 286 N CB 0.053 38.563 38.487 0.038 0.000 0.973 286 N HN 0.233 nan 8.380 nan 0.000 0.456 287 M N 0.691 120.299 119.600 0.014 0.000 2.213 287 M HA 0.025 4.505 4.480 0.000 0.000 0.263 287 M C 2.113 178.431 176.300 0.031 0.000 1.062 287 M CA 0.623 55.934 55.300 0.018 0.000 1.105 287 M CB -1.094 31.498 32.600 -0.012 0.000 1.385 287 M HN 0.083 nan 8.290 nan 0.000 0.417 288 A N 0.323 123.160 122.820 0.028 0.000 1.933 288 A HA 0.020 4.340 4.320 0.000 0.000 0.218 288 A C 2.454 180.076 177.584 0.063 0.000 1.175 288 A CA 1.972 54.035 52.037 0.042 0.000 0.628 288 A CB -0.798 18.223 19.000 0.036 0.000 0.814 288 A HN 0.466 nan 8.150 nan 0.000 0.444 289 A N -0.556 122.313 122.820 0.082 0.000 1.898 289 A HA 0.019 4.339 4.320 0.000 0.000 0.216 289 A C 2.211 179.892 177.584 0.161 0.000 1.181 289 A CA 1.724 53.842 52.037 0.135 0.000 0.620 289 A CB -0.877 18.214 19.000 0.151 0.000 0.819 289 A HN 0.379 nan 8.150 nan 0.000 0.442 290 V N -0.142 119.844 119.914 0.120 0.000 2.343 290 V HA -0.168 3.952 4.120 0.000 0.000 0.247 290 V C 2.729 178.778 176.094 -0.074 0.000 1.051 290 V CA 1.965 64.264 62.300 -0.003 0.000 1.036 290 V CB -1.302 30.541 31.823 0.032 0.000 0.654 290 V HN 0.611 nan 8.190 nan 0.000 0.451 291 G N -0.739 108.064 108.800 0.005 0.000 2.534 291 G HA2 -0.043 3.917 3.960 0.000 0.000 0.217 291 G HA3 -0.043 3.917 3.960 0.000 0.000 0.217 291 G C 1.663 176.599 174.900 0.060 0.000 1.128 291 G CA 0.754 45.870 45.100 0.026 0.000 0.784 291 G HN 0.588 nan 8.290 nan 0.000 0.542 292 A N 0.311 123.162 122.820 0.053 0.000 2.019 292 A HA 0.107 4.427 4.320 0.000 0.000 0.219 292 A C 2.525 180.147 177.584 0.064 0.000 1.164 292 A CA 1.476 53.556 52.037 0.072 0.000 0.644 292 A CB -0.364 18.686 19.000 0.083 0.000 0.805 292 A HN 0.219 nan 8.150 nan 0.000 0.449 293 V N -1.492 118.417 119.914 -0.007 0.000 2.233 293 V HA -0.312 3.808 4.120 0.000 0.000 0.247 293 V C 2.312 178.434 176.094 0.045 0.000 1.050 293 V CA 2.335 64.609 62.300 -0.044 0.000 1.010 293 V CB -0.994 30.686 31.823 -0.239 0.000 0.637 293 V HN 0.727 nan 8.190 nan 0.000 0.444 294 Y N 0.955 121.235 120.300 -0.033 0.000 2.200 294 Y HA -0.124 4.426 4.550 0.000 0.000 0.290 294 Y C 2.386 178.361 175.900 0.125 0.000 1.137 294 Y CA 1.399 59.536 58.100 0.063 0.000 1.163 294 Y CB -0.596 37.915 38.460 0.086 0.000 0.988 294 Y HN 0.148 nan 8.280 nan 0.000 0.518 295 A N 0.281 123.299 122.820 0.331 0.000 1.883 295 A HA -0.291 4.029 4.320 0.000 0.000 0.217 295 A C 2.088 179.742 177.584 0.116 0.000 1.186 295 A CA 2.193 54.365 52.037 0.224 0.000 0.624 295 A CB -1.126 17.962 19.000 0.147 0.000 0.822 295 A HN 0.641 nan 8.150 nan 0.000 0.444 296 N N -0.185 118.572 118.700 0.095 0.000 2.171 296 N HA 0.002 4.742 4.740 0.000 0.000 0.184 296 N C 1.727 177.297 175.510 0.100 0.000 1.021 296 N CA 1.813 54.910 53.050 0.077 0.000 0.854 296 N CB -0.359 38.174 38.487 0.077 0.000 0.994 296 N HN 0.324 nan 8.380 nan 0.000 0.426 297 A N -0.021 122.872 122.820 0.121 0.000 1.902 297 A HA -0.126 4.194 4.320 0.000 0.000 0.217 297 A C 2.314 180.046 177.584 0.247 0.000 1.181 297 A CA 2.101 54.280 52.037 0.237 0.000 0.623 297 A CB -1.120 17.960 19.000 0.133 0.000 0.818 297 A HN 0.550 nan 8.150 nan 0.000 0.443 298 S N -0.335 115.400 115.700 0.058 0.000 2.402 298 S HA -0.110 4.360 4.470 0.000 0.000 0.229 298 S C 1.823 176.355 174.600 -0.113 0.000 1.021 298 S CA 1.263 59.309 58.200 -0.257 0.000 0.974 298 S CB -0.602 62.368 63.200 -0.382 0.000 0.800 298 S HN 0.442 nan 8.310 nan 0.000 0.484 299 L N 2.473 123.715 121.223 0.030 0.000 2.083 299 L HA -0.031 4.309 4.340 0.000 0.000 0.209 299 L C 2.369 179.271 176.870 0.054 0.000 1.083 299 L CA 2.136 57.028 54.840 0.087 0.000 0.752 299 L CB -1.570 40.538 42.059 0.082 0.000 0.899 299 L HN 0.303 nan 8.230 nan 0.000 0.433 300 T N -0.053 114.548 114.554 0.078 0.000 2.720 300 T HA -0.183 4.167 4.350 0.000 0.000 0.268 300 T C 1.964 176.736 174.700 0.121 0.000 1.037 300 T CA 1.906 64.068 62.100 0.104 0.000 1.144 300 T CB -0.343 68.614 68.868 0.148 0.000 0.864 300 T HN 0.320 nan 8.240 nan 0.000 0.444 301 L N 0.268 121.528 121.223 0.061 0.000 2.083 301 L HA -0.050 4.290 4.340 0.000 0.000 0.209 301 L C 2.442 179.244 176.870 -0.112 0.000 1.083 301 L CA 1.051 55.823 54.840 -0.114 0.000 0.752 301 L CB -0.562 41.105 42.059 -0.654 0.000 0.899 301 L HN 0.265 nan 8.230 nan 0.000 0.433 302 L N -0.558 120.598 121.223 -0.111 0.000 2.056 302 L HA -0.194 4.146 4.340 0.000 0.000 0.207 302 L C 2.359 179.211 176.870 -0.029 0.000 1.078 302 L CA 1.074 55.865 54.840 -0.081 0.000 0.749 302 L CB -0.575 41.440 42.059 -0.073 0.000 0.901 302 L HN 0.341 nan 8.230 nan 0.000 0.433 303 N N -0.398 118.303 118.700 0.002 0.000 2.270 303 N HA -0.201 4.539 4.740 0.000 0.000 0.181 303 N C 1.854 177.373 175.510 0.014 0.000 1.016 303 N CA 0.994 54.050 53.050 0.010 0.000 0.870 303 N CB 0.004 38.502 38.487 0.019 0.000 0.979 303 N HN 0.439 nan 8.380 nan 0.000 0.431 304 Q N 0.296 120.115 119.800 0.033 0.000 2.079 304 Q HA 0.052 4.392 4.340 0.000 0.000 0.200 304 Q C 0.156 176.186 176.000 0.049 0.000 0.974 304 Q CA 0.988 56.824 55.803 0.055 0.000 0.840 304 Q CB 0.134 28.946 28.738 0.123 0.000 0.898 304 Q HN 0.309 nan 8.270 nan 0.000 0.430 305 G N -0.485 108.336 108.800 0.034 0.000 2.663 305 G HA2 -0.143 3.817 3.960 0.000 0.000 0.686 305 G HA3 -0.143 3.817 3.960 0.000 0.000 0.686 305 G C -2.239 172.693 174.900 0.052 0.000 1.246 305 G CA -0.313 44.804 45.100 0.029 0.000 0.795 305 G HN 0.129 nan 8.290 nan 0.000 0.627 306 P HA -0.122 nan 4.420 nan 0.000 0.217 306 P C 1.590 178.930 177.300 0.065 0.000 1.150 306 P CA 1.655 64.790 63.100 0.057 0.000 0.832 306 P CB 0.109 31.829 31.700 0.034 0.000 0.787 307 K N 0.200 120.635 120.400 0.058 0.000 2.057 307 K HA -0.206 4.114 4.320 0.000 0.000 0.207 307 K C 2.311 178.957 176.600 0.076 0.000 1.049 307 K CA 1.750 58.073 56.287 0.059 0.000 0.931 307 K CB -0.093 32.436 32.500 0.048 0.000 0.714 307 K HN 0.020 nan 8.250 nan 0.000 0.440 308 E N -0.507 119.745 120.200 0.087 0.000 2.030 308 E HA -0.035 4.315 4.350 0.000 0.000 0.189 308 E C 1.637 178.336 176.600 0.166 0.000 0.974 308 E CA 0.976 57.444 56.400 0.112 0.000 0.807 308 E CB -0.095 29.667 29.700 0.103 0.000 0.771 308 E HN 0.323 nan 8.360 nan 0.000 0.451 309 A N 0.113 123.047 122.820 0.190 0.000 2.016 309 A HA 0.382 4.702 4.320 0.000 0.000 0.217 309 A C 1.081 178.835 177.584 0.283 0.000 1.162 309 A CA 1.027 53.225 52.037 0.268 0.000 0.662 309 A CB -0.385 18.758 19.000 0.238 0.000 0.812 309 A HN 0.492 nan 8.150 nan 0.000 0.450 310 G N -1.887 107.015 108.800 0.171 0.000 2.484 310 G HA2 0.188 4.148 3.960 0.000 0.000 0.685 310 G HA3 0.188 4.148 3.960 0.000 0.000 0.685 310 G C 0.293 175.198 174.900 0.008 0.000 1.294 310 G CA 0.312 45.422 45.100 0.015 0.000 0.879 310 G HN 1.111 nan 8.290 nan 0.000 0.646 311 S N -0.923 114.691 115.700 -0.143 0.000 2.511 311 S HA 0.487 4.957 4.470 0.000 0.000 0.214 311 S C 0.717 175.133 174.600 -0.307 0.000 0.997 311 S CA 0.351 58.472 58.200 -0.132 0.000 0.908 311 S CB 0.188 63.339 63.200 -0.083 0.000 0.803 311 S HN 0.858 nan 8.310 nan 0.000 0.504 312 L N 1.643 122.483 121.223 -0.639 0.000 2.372 312 L HA 0.575 4.915 4.340 0.000 0.000 0.274 312 L C -1.704 174.371 176.870 -1.324 0.000 0.988 312 L CA -0.615 53.670 54.840 -0.926 0.000 0.833 312 L CB 1.680 43.164 42.059 -0.958 0.000 1.236 312 L HN 0.123 nan 8.230 nan 0.000 0.410 313 F N 3.288 122.736 119.950 -0.835 0.000 2.532 313 F HA 0.439 4.966 4.527 0.000 0.000 0.365 313 F C -0.496 175.057 175.800 -0.412 0.000 1.112 313 F CA -0.437 57.207 58.000 -0.593 0.000 1.082 313 F CB 0.892 39.426 39.000 -0.776 0.000 1.319 313 F HN 0.162 nan 8.300 nan 0.000 0.457 314 F N 2.794 122.759 119.950 0.025 0.000 2.371 314 F HA 0.388 4.915 4.527 0.000 0.000 0.363 314 F C 0.316 176.103 175.800 -0.022 0.000 1.122 314 F CA -1.298 56.608 58.000 -0.156 0.000 1.129 314 F CB 0.505 39.391 39.000 -0.190 0.000 1.173 314 F HN 0.322 nan 8.300 nan 0.000 0.489 315 N N 3.522 122.165 118.700 -0.094 0.000 2.370 315 N HA 0.541 5.281 4.740 0.000 0.000 0.303 315 N C -1.448 173.701 175.510 -0.602 0.000 1.103 315 N CA -0.433 52.636 53.050 0.031 0.000 0.848 315 N CB 2.269 41.007 38.487 0.417 0.000 1.235 315 N HN 0.229 nan 8.380 nan 0.000 0.496 316 F N 0.507 120.553 119.950 0.160 0.000 2.547 316 F HA 0.710 5.237 4.527 0.000 0.000 0.316 316 F C 0.418 176.232 175.800 0.025 0.000 1.121 316 F CA -0.527 57.504 58.000 0.051 0.000 0.911 316 F CB 1.806 40.830 39.000 0.040 0.000 1.179 316 F HN 0.564 nan 8.300 nan 0.000 0.443 317 A N 1.621 124.490 122.820 0.082 0.000 4.431 317 A HA 0.674 4.994 4.320 0.000 0.000 0.247 317 A C -1.322 176.139 177.584 -0.204 0.000 0.974 317 A CA -0.607 51.400 52.037 -0.050 0.000 0.633 317 A CB 1.170 20.196 19.000 0.043 0.000 1.698 317 A HN 0.701 nan 8.150 nan 0.000 0.843 318 H N 0.297 119.410 119.070 0.071 0.000 2.676 318 H HA 0.258 4.814 4.556 0.000 0.000 0.352 318 H C 0.109 175.445 175.328 0.012 0.000 1.193 318 H CA 0.214 56.297 56.048 0.059 0.000 1.243 318 H CB 1.147 30.945 29.762 0.060 0.000 1.751 318 H HN 0.811 nan 8.280 nan 0.000 0.567 319 D N -0.100 120.391 120.400 0.152 0.000 2.133 319 D HA -0.178 4.462 4.640 0.000 0.000 0.195 319 D C 1.493 177.907 176.300 0.190 0.000 0.997 319 D CA 1.931 56.010 54.000 0.132 0.000 0.840 319 D CB -1.050 39.894 40.800 0.241 0.000 0.947 319 D HN 0.603 nan 8.370 nan 0.000 0.452 320 T N -2.885 111.807 114.554 0.231 0.000 3.163 320 T HA 0.036 4.386 4.350 0.000 0.000 0.260 320 T C 1.106 175.873 174.700 0.113 0.000 1.156 320 T CA 0.603 62.807 62.100 0.174 0.000 1.072 320 T CB -0.597 68.332 68.868 0.101 0.000 0.937 320 T HN 0.248 nan 8.240 nan 0.000 0.528 321 N N 0.050 118.814 118.700 0.107 0.000 2.348 321 N HA 0.380 5.120 4.740 0.000 0.000 0.183 321 N C 1.388 176.887 175.510 -0.019 0.000 1.094 321 N CA 0.002 53.084 53.050 0.053 0.000 0.885 321 N CB 0.192 38.726 38.487 0.079 0.000 1.065 321 N HN 0.295 nan 8.380 nan 0.000 0.472 322 I N 0.585 121.144 120.570 -0.018 0.000 2.400 322 I HA -0.132 4.038 4.170 0.000 0.000 0.248 322 I C 2.282 178.381 176.117 -0.030 0.000 1.109 322 I CA 0.999 62.256 61.300 -0.072 0.000 1.425 322 I CB -0.414 37.542 38.000 -0.073 0.000 1.094 322 I HN 0.233 nan 8.210 nan 0.000 0.425 323 T N -0.728 113.840 114.554 0.023 0.000 2.759 323 T HA -0.066 4.284 4.350 0.000 0.000 0.269 323 T C -0.592 174.152 174.700 0.074 0.000 1.042 323 T CA 0.935 63.074 62.100 0.066 0.000 1.140 323 T CB -1.799 67.165 68.868 0.159 0.000 0.864 323 T HN 0.173 nan 8.240 nan 0.000 0.455 324 P HA 0.204 nan 4.420 nan 0.000 0.221 324 P C 1.506 178.827 177.300 0.035 0.000 1.150 324 P CA 0.546 63.670 63.100 0.040 0.000 0.800 324 P CB -0.183 31.534 31.700 0.029 0.000 0.787 325 I N -1.285 119.291 120.570 0.010 0.000 2.252 325 I HA -0.204 3.966 4.170 0.000 0.000 0.245 325 I C 2.173 178.324 176.117 0.057 0.000 1.102 325 I CA 1.286 62.596 61.300 0.017 0.000 1.385 325 I CB -0.649 37.303 38.000 -0.081 0.000 1.064 325 I HN -0.104 nan 8.210 nan 0.000 0.414 326 L N 0.635 121.890 121.223 0.053 0.000 2.046 326 L HA -0.195 4.145 4.340 0.000 0.000 0.208 326 L C 2.877 179.817 176.870 0.117 0.000 1.077 326 L CA 1.336 56.230 54.840 0.090 0.000 0.747 326 L CB -0.767 41.335 42.059 0.072 0.000 0.896 326 L HN 0.239 nan 8.230 nan 0.000 0.432 327 A N 0.105 122.985 122.820 0.100 0.000 1.902 327 A HA -0.158 4.162 4.320 0.000 0.000 0.217 327 A C 2.556 180.187 177.584 0.079 0.000 1.181 327 A CA 1.704 53.790 52.037 0.082 0.000 0.623 327 A CB -0.712 18.314 19.000 0.042 0.000 0.818 327 A HN 0.392 nan 8.150 nan 0.000 0.443 328 A N -0.293 122.574 122.820 0.078 0.000 1.902 328 A HA -0.048 4.272 4.320 0.000 0.000 0.217 328 A C 2.065 179.714 177.584 0.109 0.000 1.181 328 A CA 1.512 53.598 52.037 0.082 0.000 0.623 328 A CB -0.588 18.459 19.000 0.080 0.000 0.818 328 A HN 0.474 nan 8.150 nan 0.000 0.443 329 L N -1.124 120.185 121.223 0.143 0.000 2.465 329 L HA 0.088 4.428 4.340 0.000 0.000 0.224 329 L C 1.696 178.745 176.870 0.297 0.000 1.145 329 L CA 0.539 55.521 54.840 0.236 0.000 0.834 329 L CB -0.447 41.755 42.059 0.238 0.000 0.944 329 L HN 0.613 nan 8.230 nan 0.000 0.451 330 G N 0.877 109.784 108.800 0.178 0.000 2.176 330 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 330 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 330 G C 0.192 175.171 174.900 0.132 0.000 1.024 330 G CA 0.316 45.490 45.100 0.123 0.000 0.755 330 G HN 0.286 nan 8.290 nan 0.000 0.507 331 V N -2.642 117.383 119.914 0.185 0.000 2.732 331 V HA 0.808 4.928 4.120 0.000 0.000 0.310 331 V C 1.399 177.589 176.094 0.161 0.000 1.053 331 V CA -0.620 61.789 62.300 0.181 0.000 0.957 331 V CB 1.630 33.600 31.823 0.244 0.000 1.018 331 V HN 1.087 nan 8.190 nan 0.000 0.452 332 L N 1.997 123.311 121.223 0.150 0.000 3.597 332 L HA -0.133 4.207 4.340 0.000 0.000 0.440 332 L C -0.385 176.622 176.870 0.228 0.000 1.277 332 L CA 0.160 55.100 54.840 0.166 0.000 0.852 332 L CB -1.484 40.650 42.059 0.126 0.000 1.708 332 L HN 0.605 nan 8.230 nan 0.000 0.885 333 I N 0.669 121.338 120.570 0.165 0.000 2.307 333 I HA 0.366 4.536 4.170 0.000 0.000 0.289 333 I C -1.450 174.737 176.117 0.117 0.000 1.021 333 I CA -1.925 59.466 61.300 0.152 0.000 1.224 333 I CB 0.780 38.837 38.000 0.096 0.000 1.376 333 I HN -0.086 nan 8.210 nan 0.000 0.470 334 P HA 0.118 nan 4.420 nan 0.000 0.267 334 P C 0.996 178.312 177.300 0.026 0.000 1.200 334 P CA -0.075 63.041 63.100 0.028 0.000 0.772 334 P CB 0.783 32.411 31.700 -0.120 0.000 0.855 335 N N 1.029 119.737 118.700 0.013 0.000 2.364 335 N HA -0.109 4.631 4.740 0.000 0.000 0.183 335 N C 0.094 175.612 175.510 0.013 0.000 1.022 335 N CA 1.214 54.272 53.050 0.014 0.000 0.883 335 N CB 0.385 38.877 38.487 0.009 0.000 0.965 335 N HN 0.582 nan 8.380 nan 0.000 0.438 336 E N -0.239 119.960 120.200 -0.002 0.000 2.412 336 E HA 0.170 4.520 4.350 0.000 0.000 0.279 336 E C -1.606 174.978 176.600 -0.027 0.000 0.984 336 E CA -0.799 55.606 56.400 0.008 0.000 0.788 336 E CB 1.517 31.220 29.700 0.005 0.000 1.277 336 E HN -0.033 nan 8.360 nan 0.000 0.455 337 D N 1.611 122.035 120.400 0.040 0.000 2.488 337 D HA 0.045 4.685 4.640 0.000 0.000 0.238 337 D C -0.013 176.224 176.300 -0.104 0.000 1.138 337 D CA 0.502 54.528 54.000 0.044 0.000 0.873 337 D CB 0.542 41.512 40.800 0.283 0.000 1.183 337 D HN 0.249 nan 8.370 nan 0.000 0.458 338 L N 4.456 125.423 121.223 -0.427 0.000 2.499 338 L HA 0.127 4.467 4.340 0.000 0.000 0.273 338 L C -1.658 175.266 176.870 0.089 0.000 1.195 338 L CA -1.404 53.308 54.840 -0.213 0.000 0.882 338 L CB -0.173 41.627 42.059 -0.432 0.000 1.133 338 L HN 0.151 nan 8.230 nan 0.000 0.483 339 P HA 0.055 nan 4.420 nan 0.000 0.271 339 P C 0.458 177.847 177.300 0.148 0.000 1.216 339 P CA -0.208 62.953 63.100 0.102 0.000 0.776 339 P CB 1.095 32.826 31.700 0.051 0.000 0.881 340 L N 1.508 122.771 121.223 0.067 0.000 2.341 340 L HA -0.025 4.315 4.340 0.000 0.000 0.214 340 L C 1.644 178.532 176.870 0.030 0.000 1.115 340 L CA 1.032 55.888 54.840 0.027 0.000 0.820 340 L CB -0.557 41.457 42.059 -0.076 0.000 0.944 340 L HN 0.403 nan 8.230 nan 0.000 0.452 341 D N 0.363 120.774 120.400 0.019 0.000 2.369 341 D HA 0.003 4.643 4.640 0.000 0.000 0.211 341 D C 0.664 176.947 176.300 -0.028 0.000 1.077 341 D CA -0.121 53.873 54.000 -0.010 0.000 0.842 341 D CB 0.360 41.148 40.800 -0.020 0.000 0.947 341 D HN 0.371 nan 8.370 nan 0.000 0.509 342 R N -1.418 119.060 120.500 -0.036 0.000 2.716 342 R HA 0.539 4.879 4.340 0.000 0.000 0.271 342 R C -1.544 174.511 176.300 -0.408 0.000 1.028 342 R CA -0.997 55.017 56.100 -0.143 0.000 0.883 342 R CB 0.926 31.168 30.300 -0.096 0.000 1.250 342 R HN -0.202 nan 8.270 nan 0.000 0.465 343 V N 1.432 120.943 119.914 -0.671 0.000 2.470 343 V HA 0.331 4.451 4.120 0.000 0.000 0.276 343 V C 0.520 176.002 176.094 -1.019 0.000 1.040 343 V CA -0.097 61.329 62.300 -1.457 0.000 1.008 343 V CB 0.935 31.884 31.823 -1.456 0.000 0.990 343 V HN 0.842 nan 8.190 nan 0.000 0.477 344 A N 6.500 128.768 122.820 -0.921 0.000 2.922 344 A HA 0.528 4.848 4.320 0.000 0.000 0.298 344 A C -0.108 177.322 177.584 -0.255 0.000 1.588 344 A CA -0.396 51.452 52.037 -0.315 0.000 1.288 344 A CB -0.754 18.194 19.000 -0.087 0.000 1.130 344 A HN 0.617 nan 8.150 nan 0.000 0.557 345 F N 1.063 120.929 119.950 -0.139 0.000 2.608 345 F HA 0.322 4.849 4.527 -0.000 0.000 0.380 345 F C 1.673 177.455 175.800 -0.031 0.000 1.083 345 F CA 1.927 59.883 58.000 -0.073 0.000 1.266 345 F CB 0.531 39.489 39.000 -0.070 0.000 1.076 345 F HN 0.810 nan 8.300 nan 0.000 0.574 346 G N 2.177 111.077 108.800 0.166 0.000 2.176 346 G HA2 -0.351 3.609 3.960 0.000 0.000 0.253 346 G HA3 -0.351 3.609 3.960 0.000 0.000 0.253 346 G C 0.081 175.021 174.900 0.067 0.000 0.979 346 G CA 0.045 45.207 45.100 0.103 0.000 0.641 346 G HN 1.003 nan 8.290 nan 0.000 0.530 347 N N 1.042 119.776 118.700 0.057 0.000 2.453 347 N HA 0.468 5.208 4.740 0.000 0.000 0.253 347 N C -0.430 175.121 175.510 0.069 0.000 1.252 347 N CA -0.665 52.416 53.050 0.051 0.000 0.917 347 N CB 0.862 39.367 38.487 0.031 0.000 1.117 347 N HN 0.134 nan 8.380 nan 0.000 0.442 348 P HA -0.147 nan 4.420 nan 0.000 0.226 348 P C -0.272 177.083 177.300 0.091 0.000 1.153 348 P CA 0.914 64.067 63.100 0.089 0.000 0.777 348 P CB -0.046 31.722 31.700 0.115 0.000 0.794 349 Y N 1.389 121.675 120.300 -0.022 0.000 2.851 349 Y HA 0.215 4.765 4.550 0.000 0.000 0.369 349 Y C 0.632 176.502 175.900 -0.050 0.000 1.226 349 Y CA -0.162 57.921 58.100 -0.029 0.000 1.949 349 Y CB -0.612 37.827 38.460 -0.036 0.000 2.059 349 Y HN -0.151 nan 8.280 nan 0.000 0.420 350 S N 2.933 118.557 115.700 -0.127 0.000 2.543 350 S HA 0.214 4.684 4.470 0.000 0.000 0.299 350 S C 1.385 175.826 174.600 -0.266 0.000 1.125 350 S CA -0.712 57.404 58.200 -0.140 0.000 1.098 350 S CB -0.270 62.859 63.200 -0.118 0.000 1.063 350 S HN 0.520 nan 8.310 nan 0.000 0.493 351 I N 4.348 124.743 120.570 -0.291 0.000 2.381 351 I HA -0.140 4.030 4.170 0.000 0.000 0.255 351 I C 2.405 178.331 176.117 -0.319 0.000 1.140 351 I CA 1.534 62.597 61.300 -0.395 0.000 1.404 351 I CB -1.584 36.154 38.000 -0.436 0.000 1.075 351 I HN 0.745 nan 8.210 nan 0.000 0.433 352 G N 0.576 109.222 108.800 -0.257 0.000 2.559 352 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 352 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 352 G C 1.278 176.003 174.900 -0.292 0.000 1.126 352 G CA 0.248 45.188 45.100 -0.266 0.000 0.778 352 G HN 0.373 nan 8.290 nan 0.000 0.543 353 N N -0.370 118.157 118.700 -0.288 0.000 2.203 353 N HA 0.277 5.017 4.740 0.000 0.000 0.207 353 N C 1.175 176.523 175.510 -0.270 0.000 1.130 353 N CA 0.020 52.904 53.050 -0.276 0.000 0.861 353 N CB 0.816 39.154 38.487 -0.248 0.000 1.005 353 N HN 0.358 nan 8.380 nan 0.000 0.507 354 I N -0.774 119.616 120.570 -0.301 0.000 3.674 354 I HA 0.062 4.232 4.170 0.000 0.000 0.248 354 I C 0.396 176.351 176.117 -0.271 0.000 1.134 354 I CA 0.254 61.374 61.300 -0.299 0.000 1.519 354 I CB 0.517 38.270 38.000 -0.412 0.000 1.598 354 I HN -0.187 nan 8.210 nan 0.000 0.442 355 V N -0.008 119.711 119.914 -0.326 0.000 2.361 355 V HA 0.469 4.589 4.120 0.000 0.000 0.252 355 V C -2.686 173.292 176.094 -0.194 0.000 0.986 355 V CA -1.533 60.616 62.300 -0.251 0.000 1.033 355 V CB -0.388 31.279 31.823 -0.260 0.000 1.282 355 V HN 0.018 nan 8.190 nan 0.000 0.514 356 P HA 0.320 nan 4.420 nan 0.000 0.279 356 P C 0.136 177.441 177.300 0.008 0.000 1.282 356 P CA -0.553 62.519 63.100 -0.048 0.000 0.788 356 P CB 0.818 32.470 31.700 -0.080 0.000 1.139 357 M N -0.325 119.289 119.600 0.024 0.000 2.251 357 M HA 0.071 4.551 4.480 0.000 0.000 0.343 357 M C 1.575 177.959 176.300 0.140 0.000 1.245 357 M CA 1.415 56.741 55.300 0.043 0.000 1.061 357 M CB -1.327 31.292 32.600 0.032 0.000 1.723 357 M HN 0.887 nan 8.290 nan 0.000 0.449 358 G N 2.830 111.676 108.800 0.075 0.000 2.168 358 G HA2 -0.202 3.758 3.960 0.000 0.000 0.263 358 G HA3 -0.202 3.758 3.960 0.000 0.000 0.263 358 G C 0.562 175.583 174.900 0.202 0.000 0.977 358 G CA 0.291 45.461 45.100 0.116 0.000 0.659 358 G HN 1.149 nan 8.290 nan 0.000 0.533 359 G N -0.271 108.649 108.800 0.199 0.000 2.690 359 G HA2 0.608 4.568 3.960 0.000 0.000 0.239 359 G HA3 0.608 4.568 3.960 0.000 0.000 0.239 359 G C -0.125 174.852 174.900 0.128 0.000 1.233 359 G CA 0.622 45.813 45.100 0.151 0.000 0.847 359 G HN 1.915 nan 8.290 nan 0.000 0.588 360 H N -2.148 116.960 119.070 0.063 0.000 3.094 360 H HA 0.510 5.066 4.556 0.000 0.000 0.346 360 H C -1.635 173.723 175.328 0.049 0.000 1.238 360 H CA -1.190 54.877 56.048 0.031 0.000 1.209 360 H CB 1.373 31.172 29.762 0.060 0.000 1.911 360 H HN 0.586 nan 8.280 nan 0.000 0.540 361 L N 2.104 123.412 121.223 0.142 0.000 2.298 361 L HA 0.624 4.964 4.340 0.000 0.000 0.284 361 L C -0.900 176.083 176.870 0.189 0.000 1.013 361 L CA 0.127 55.035 54.840 0.113 0.000 0.824 361 L CB 1.690 43.764 42.059 0.025 0.000 1.221 361 L HN 0.920 nan 8.230 nan 0.000 0.418 362 T N 6.644 121.344 114.554 0.243 0.000 2.770 362 T HA 0.564 4.914 4.350 0.000 0.000 0.283 362 T C -0.032 174.747 174.700 0.133 0.000 0.988 362 T CA -0.110 62.132 62.100 0.237 0.000 0.957 362 T CB 0.675 69.778 68.868 0.391 0.000 0.930 362 T HN 0.415 nan 8.240 nan 0.000 0.443 363 I N 3.365 123.972 120.570 0.061 0.000 2.312 363 I HA 0.300 4.470 4.170 0.000 0.000 0.290 363 I C 0.449 176.529 176.117 -0.062 0.000 1.008 363 I CA -0.536 60.754 61.300 -0.016 0.000 1.226 363 I CB 1.054 39.023 38.000 -0.052 0.000 1.371 363 I HN 0.502 nan 8.210 nan 0.000 0.468 364 E N 6.332 126.508 120.200 -0.041 0.000 2.175 364 E HA 0.392 4.742 4.350 0.000 0.000 0.278 364 E C -0.526 176.043 176.600 -0.052 0.000 0.969 364 E CA -0.851 55.528 56.400 -0.035 0.000 0.796 364 E CB 2.156 31.892 29.700 0.058 0.000 1.104 364 E HN 0.403 nan 8.360 nan 0.000 0.395 365 R N 3.760 124.227 120.500 -0.055 0.000 2.229 365 R HA 0.338 4.678 4.340 0.000 0.000 0.328 365 R C -0.853 175.461 176.300 0.022 0.000 1.009 365 R CA -0.412 55.661 56.100 -0.045 0.000 0.864 365 R CB 0.475 30.738 30.300 -0.061 0.000 1.085 365 R HN 0.447 nan 8.270 nan 0.000 0.453 366 L N 2.353 123.611 121.223 0.058 0.000 2.295 366 L HA 0.325 4.665 4.340 0.000 0.000 0.285 366 L C 0.158 177.104 176.870 0.127 0.000 1.035 366 L CA -0.491 54.411 54.840 0.104 0.000 0.806 366 L CB 1.935 44.069 42.059 0.126 0.000 1.214 366 L HN 0.506 nan 8.230 nan 0.000 0.426 367 S N 2.467 118.231 115.700 0.106 0.000 2.461 367 S HA 0.487 4.957 4.470 0.000 0.000 0.322 367 S C -0.597 174.070 174.600 0.111 0.000 1.063 367 S CA -0.536 57.723 58.200 0.099 0.000 1.120 367 S CB 0.128 63.370 63.200 0.070 0.000 0.968 367 S HN 0.647 nan 8.310 nan 0.000 0.467 368 c N 4.674 123.374 118.600 0.166 0.000 2.456 368 c HA 0.555 5.125 4.570 0.000 0.000 0.325 368 c C 0.516 174.673 174.090 0.113 0.000 1.217 368 c CA -0.907 55.500 56.329 0.130 0.000 1.687 368 c CB 1.222 43.814 42.510 0.136 0.000 2.270 368 c HN 0.856 nan 8.230 nan 0.000 0.499 369 Q N 0.941 120.776 119.800 0.060 0.000 2.308 369 Q HA 0.563 4.903 4.340 0.000 0.000 0.207 369 Q C 0.244 176.272 176.000 0.047 0.000 1.035 369 Q CA -0.411 55.421 55.803 0.048 0.000 1.008 369 Q CB 0.586 29.338 28.738 0.024 0.000 1.168 369 Q HN 0.896 nan 8.270 nan 0.000 0.565 370 A N 0.720 123.563 122.820 0.038 0.000 2.407 370 A HA 0.401 4.721 4.320 0.000 0.000 0.248 370 A C 0.022 177.607 177.584 0.001 0.000 1.082 370 A CA 0.062 52.118 52.037 0.031 0.000 0.785 370 A CB 0.104 19.122 19.000 0.029 0.000 1.020 370 A HN 0.672 nan 8.150 nan 0.000 0.489 371 T N -2.195 112.349 114.554 -0.017 0.000 2.907 371 T HA 0.619 4.969 4.350 0.000 0.000 0.290 371 T C 0.945 175.625 174.700 -0.032 0.000 1.066 371 T CA -0.034 62.043 62.100 -0.038 0.000 1.012 371 T CB 1.354 70.176 68.868 -0.078 0.000 1.184 371 T HN 1.380 nan 8.240 nan 0.000 0.522 372 A N 0.396 123.195 122.820 -0.035 0.000 2.186 372 A HA 0.096 4.416 4.320 0.000 0.000 0.219 372 A C 1.809 179.374 177.584 -0.032 0.000 1.159 372 A CA 1.734 53.755 52.037 -0.028 0.000 0.680 372 A CB -1.039 17.945 19.000 -0.028 0.000 0.787 372 A HN 1.049 nan 8.150 nan 0.000 0.467 373 L N -3.464 117.729 121.223 -0.050 0.000 2.966 373 L HA 0.433 4.773 4.340 0.000 0.000 0.262 373 L C 0.229 177.073 176.870 -0.044 0.000 1.165 373 L CA 0.339 55.147 54.840 -0.053 0.000 0.978 373 L CB -0.511 41.497 42.059 -0.085 0.000 1.337 373 L HN 0.202 nan 8.230 nan 0.000 0.563 374 S N -2.470 113.210 115.700 -0.034 0.000 2.565 374 S HA 0.625 5.095 4.470 0.000 0.000 0.269 374 S C -1.248 173.390 174.600 0.064 0.000 1.153 374 S CA -0.874 57.333 58.200 0.012 0.000 0.835 374 S CB 1.695 64.839 63.200 -0.092 0.000 1.122 374 S HN 0.037 nan 8.310 nan 0.000 0.462 375 D N 1.292 121.776 120.400 0.140 0.000 2.329 375 D HA 0.237 4.878 4.640 0.000 0.000 0.246 375 D C 0.212 176.620 176.300 0.180 0.000 1.111 375 D CA -0.226 53.850 54.000 0.125 0.000 0.941 375 D CB 0.783 41.644 40.800 0.101 0.000 1.169 375 D HN 0.767 nan 8.370 nan 0.000 0.441 376 E N -0.080 120.188 120.200 0.114 0.000 2.452 376 E HA 0.341 4.691 4.350 0.000 0.000 0.261 376 E C 0.029 176.698 176.600 0.114 0.000 0.987 376 E CA -0.062 56.407 56.400 0.114 0.000 0.926 376 E CB 0.277 30.015 29.700 0.063 0.000 0.934 376 E HN 0.535 nan 8.360 nan 0.000 0.452 377 G N 2.377 111.262 108.800 0.141 0.000 2.333 377 G HA2 0.109 4.069 3.960 0.000 0.000 0.288 377 G HA3 0.109 4.069 3.960 0.000 0.000 0.288 377 G C -1.165 173.693 174.900 -0.071 0.000 1.286 377 G CA -0.575 44.513 45.100 -0.020 0.000 0.865 377 G HN 0.470 nan 8.290 nan 0.000 0.506 378 T N 0.742 115.121 114.554 -0.291 0.000 2.795 378 T HA 0.680 5.030 4.350 0.000 0.000 0.282 378 T C -1.213 173.180 174.700 -0.511 0.000 0.980 378 T CA 0.178 62.142 62.100 -0.227 0.000 1.012 378 T CB 0.854 69.639 68.868 -0.137 0.000 0.936 378 T HN 0.376 nan 8.240 nan 0.000 0.457 379 Y N 0.539 120.827 120.300 -0.020 0.000 2.570 379 Y HA 0.620 5.170 4.550 -0.000 0.000 0.345 379 Y C -0.265 175.582 175.900 -0.088 0.000 1.014 379 Y CA -1.227 56.854 58.100 -0.032 0.000 1.063 379 Y CB 1.680 40.134 38.460 -0.010 0.000 1.272 379 Y HN 0.289 nan 8.280 nan 0.000 0.477 380 V N 2.660 122.576 119.914 0.004 0.000 2.448 380 V HA 0.555 4.675 4.120 0.000 0.000 0.295 380 V C -0.587 175.437 176.094 -0.117 0.000 1.025 380 V CA -0.913 61.257 62.300 -0.218 0.000 0.859 380 V CB 1.506 32.899 31.823 -0.716 0.000 0.988 380 V HN 0.716 nan 8.190 nan 0.000 0.431 381 R N 5.011 125.463 120.500 -0.080 0.000 2.599 381 R HA 0.760 5.100 4.340 0.000 0.000 0.295 381 R C -1.748 174.549 176.300 -0.004 0.000 0.963 381 R CA -0.671 55.433 56.100 0.007 0.000 0.883 381 R CB 1.459 31.794 30.300 0.058 0.000 1.171 381 R HN 0.706 nan 8.270 nan 0.000 0.450 382 L N 4.351 125.601 121.223 0.045 0.000 2.307 382 L HA 0.581 4.921 4.340 0.000 0.000 0.284 382 L C -0.842 176.094 176.870 0.110 0.000 1.023 382 L CA -1.226 53.653 54.840 0.065 0.000 0.810 382 L CB 2.053 44.160 42.059 0.079 0.000 1.231 382 L HN 0.360 nan 8.230 nan 0.000 0.423 383 V N 4.314 124.304 119.914 0.126 0.000 2.483 383 V HA 0.383 4.503 4.120 0.000 0.000 0.297 383 V C -0.638 175.532 176.094 0.126 0.000 1.027 383 V CA -0.463 61.923 62.300 0.145 0.000 0.855 383 V CB 2.201 34.146 31.823 0.203 0.000 0.995 383 V HN 0.444 nan 8.190 nan 0.000 0.424 384 L N 5.718 126.974 121.223 0.056 0.000 2.298 384 L HA 0.636 4.976 4.340 0.000 0.000 0.284 384 L C 0.432 177.238 176.870 -0.106 0.000 1.013 384 L CA 0.242 55.065 54.840 -0.029 0.000 0.824 384 L CB 0.879 42.913 42.059 -0.042 0.000 1.221 384 L HN 0.699 nan 8.230 nan 0.000 0.418 385 N N 4.480 123.017 118.700 -0.272 0.000 2.705 385 N HA -0.226 4.514 4.740 0.000 0.000 0.255 385 N C 0.025 175.520 175.510 -0.026 0.000 1.008 385 N CA 1.097 53.973 53.050 -0.291 0.000 0.742 385 N CB -0.578 37.752 38.487 -0.261 0.000 0.906 385 N HN 0.782 nan 8.380 nan 0.000 0.541 386 E N -4.466 115.802 120.200 0.114 0.000 3.801 386 E HA -0.235 4.115 4.350 0.000 0.000 0.319 386 E C -0.029 176.620 176.600 0.083 0.000 0.784 386 E CA 1.434 57.931 56.400 0.161 0.000 1.183 386 E CB -1.552 28.248 29.700 0.167 0.000 1.601 386 E HN 0.735 nan 8.360 nan 0.000 0.441 387 A N 0.541 123.381 122.820 0.035 0.000 2.318 387 A HA 0.596 4.916 4.320 0.000 0.000 0.317 387 A C 0.306 177.919 177.584 0.048 0.000 1.159 387 A CA -0.371 51.670 52.037 0.007 0.000 0.799 387 A CB 1.399 20.347 19.000 -0.086 0.000 1.194 387 A HN -0.008 nan 8.150 nan 0.000 0.479 388 V N 2.794 122.759 119.914 0.086 0.000 2.540 388 V HA 0.062 4.182 4.120 0.000 0.000 0.297 388 V C 0.037 176.229 176.094 0.163 0.000 1.024 388 V CA 0.330 62.708 62.300 0.130 0.000 1.105 388 V CB 0.703 32.617 31.823 0.151 0.000 0.938 388 V HN 0.704 nan 8.190 nan 0.000 0.482 389 L N 9.477 130.803 121.223 0.172 0.000 2.301 389 L HA 0.572 4.912 4.340 0.000 0.000 0.278 389 L C -2.396 174.619 176.870 0.241 0.000 1.022 389 L CA -1.643 53.331 54.840 0.225 0.000 0.854 389 L CB 1.409 43.570 42.059 0.169 0.000 1.226 389 L HN 0.410 nan 8.230 nan 0.000 0.429 390 P HA -0.010 nan 4.420 nan 0.000 0.265 390 P C -0.834 176.630 177.300 0.272 0.000 1.193 390 P CA 0.065 63.285 63.100 0.201 0.000 0.765 390 P CB 0.209 31.939 31.700 0.050 0.000 0.823 391 F N 5.504 125.531 119.950 0.128 0.000 2.661 391 F HA 0.092 4.619 4.527 0.000 0.000 0.356 391 F C 0.977 176.839 175.800 0.104 0.000 1.244 391 F CA -0.153 57.933 58.000 0.144 0.000 1.290 391 F CB -1.776 37.353 39.000 0.215 0.000 1.677 391 F HN 0.281 nan 8.300 nan 0.000 0.649 392 N N 1.480 120.154 118.700 -0.042 0.000 1.241 392 N HA -0.351 4.389 4.740 0.000 0.000 0.135 392 N C 0.917 176.366 175.510 -0.102 0.000 0.723 392 N CA 2.038 55.005 53.050 -0.139 0.000 0.950 392 N CB -0.959 37.358 38.487 -0.282 0.000 1.215 392 N HN 0.544 nan 8.380 nan 0.000 0.520 393 D N -0.064 120.256 120.400 -0.133 0.000 2.349 393 D HA 0.102 4.742 4.640 0.000 0.000 0.224 393 D C 0.667 176.961 176.300 -0.010 0.000 1.029 393 D CA 0.124 54.087 54.000 -0.062 0.000 0.879 393 D CB -0.754 40.010 40.800 -0.061 0.000 0.906 393 D HN 0.484 nan 8.370 nan 0.000 0.528 394 c N 2.393 120.993 118.600 -0.000 0.000 2.145 394 c HA 0.522 5.092 4.570 0.000 0.000 0.374 394 c C 0.963 175.164 174.090 0.185 0.000 1.035 394 c CA 0.013 56.412 56.329 0.117 0.000 1.431 394 c CB -1.860 40.776 42.510 0.210 0.000 1.789 394 c HN 0.406 nan 8.230 nan 0.000 0.483 395 T N -0.282 114.364 114.554 0.153 0.000 3.442 395 T HA 0.102 4.452 4.350 0.000 0.000 0.295 395 T C 1.052 175.830 174.700 0.130 0.000 1.007 395 T CA 0.304 62.517 62.100 0.189 0.000 0.962 395 T CB -0.279 68.734 68.868 0.242 0.000 1.187 395 T HN 0.669 nan 8.240 nan 0.000 0.490 396 S N 0.149 115.914 115.700 0.109 0.000 2.496 396 S HA 0.324 4.794 4.470 0.000 0.000 0.224 396 S C 1.372 175.965 174.600 -0.011 0.000 0.996 396 S CA 0.051 58.286 58.200 0.058 0.000 0.927 396 S CB -0.359 62.897 63.200 0.093 0.000 0.774 396 S HN 0.741 nan 8.310 nan 0.000 0.524 397 G N 1.968 110.752 108.800 -0.028 0.000 2.588 397 G HA2 0.528 4.488 3.960 0.000 0.000 0.281 397 G HA3 0.528 4.488 3.960 0.000 0.000 0.281 397 G C -3.004 171.648 174.900 -0.413 0.000 1.236 397 G CA -1.888 42.983 45.100 -0.382 0.000 0.969 397 G HN 0.170 nan 8.290 nan 0.000 0.504 398 P HA 0.183 nan 4.420 nan 0.000 0.267 398 P C 0.806 177.950 177.300 -0.260 0.000 1.200 398 P CA 1.394 64.277 63.100 -0.361 0.000 0.772 398 P CB 0.746 32.250 31.700 -0.328 0.000 0.855 399 G N 2.261 110.911 108.800 -0.250 0.000 2.321 399 G HA2 -0.318 3.642 3.960 0.000 0.000 0.287 399 G HA3 -0.318 3.642 3.960 0.000 0.000 0.287 399 G C -0.033 174.883 174.900 0.026 0.000 1.018 399 G CA 0.327 45.361 45.100 -0.109 0.000 0.855 399 G HN 0.554 nan 8.290 nan 0.000 0.507 400 Y N -2.126 118.166 120.300 -0.013 0.000 3.825 400 Y HA -0.287 4.263 4.550 -0.000 0.000 0.221 400 Y C 1.621 177.551 175.900 0.051 0.000 1.195 400 Y CA 1.141 59.251 58.100 0.017 0.000 1.699 400 Y CB -2.447 36.029 38.460 0.028 0.000 1.531 400 Y HN 1.181 nan 8.280 nan 0.000 0.640 401 S N -1.694 114.060 115.700 0.091 0.000 2.661 401 S HA 0.605 5.075 4.470 0.000 0.000 0.265 401 S C 0.242 174.968 174.600 0.211 0.000 1.225 401 S CA -0.399 57.882 58.200 0.135 0.000 0.986 401 S CB 2.197 65.450 63.200 0.087 0.000 1.008 401 S HN 0.528 nan 8.310 nan 0.000 0.565 402 c N 2.182 120.940 118.600 0.263 0.000 2.345 402 c HA 0.661 5.231 4.570 0.000 0.000 0.323 402 c C -2.858 171.424 174.090 0.319 0.000 1.276 402 c CA -1.948 54.572 56.329 0.320 0.000 1.543 402 c CB 0.367 43.121 42.510 0.407 0.000 2.211 402 c HN 0.699 nan 8.230 nan 0.000 0.493 403 P HA 0.015 nan 4.420 nan 0.000 0.265 403 P C 0.770 178.065 177.300 -0.008 0.000 1.193 403 P CA 0.105 63.205 63.100 -0.000 0.000 0.765 403 P CB 0.420 32.145 31.700 0.041 0.000 0.823 404 L N 5.062 126.198 121.223 -0.144 0.000 2.051 404 L HA -0.274 4.066 4.340 0.000 0.000 0.214 404 L C 2.102 179.009 176.870 0.062 0.000 1.076 404 L CA 2.557 57.380 54.840 -0.028 0.000 0.758 404 L CB -1.442 40.562 42.059 -0.091 0.000 0.890 404 L HN 0.433 nan 8.230 nan 0.000 0.433 405 A N -0.653 122.171 122.820 0.007 0.000 1.902 405 A HA -0.253 4.067 4.320 0.000 0.000 0.217 405 A C 2.071 179.701 177.584 0.078 0.000 1.181 405 A CA 2.125 54.181 52.037 0.033 0.000 0.623 405 A CB -0.900 18.101 19.000 0.003 0.000 0.818 405 A HN 0.636 nan 8.150 nan 0.000 0.443 406 N N -1.798 116.967 118.700 0.108 0.000 2.142 406 N HA -0.126 4.614 4.740 0.000 0.000 0.186 406 N C 1.574 177.211 175.510 0.212 0.000 1.023 406 N CA 1.464 54.599 53.050 0.143 0.000 0.852 406 N CB -0.460 38.124 38.487 0.161 0.000 0.998 406 N HN 0.587 nan 8.380 nan 0.000 0.424 407 Y N 1.714 122.088 120.300 0.124 0.000 2.114 407 Y HA -0.253 4.297 4.550 0.000 0.000 0.282 407 Y C 2.192 178.151 175.900 0.099 0.000 1.165 407 Y CA 1.645 59.830 58.100 0.141 0.000 1.148 407 Y CB -0.724 37.757 38.460 0.034 0.000 0.972 407 Y HN 0.033 nan 8.280 nan 0.000 0.504 408 T N -0.510 114.130 114.554 0.143 0.000 2.708 408 T HA -0.197 4.153 4.350 0.000 0.000 0.266 408 T C 2.042 176.747 174.700 0.008 0.000 1.037 408 T CA 1.871 63.998 62.100 0.045 0.000 1.146 408 T CB -0.532 68.376 68.868 0.067 0.000 0.865 408 T HN 0.411 nan 8.240 nan 0.000 0.435 409 S N 1.543 117.265 115.700 0.037 0.000 2.368 409 S HA -0.029 4.441 4.470 0.000 0.000 0.225 409 S C 2.086 176.698 174.600 0.019 0.000 1.030 409 S CA 0.961 59.177 58.200 0.027 0.000 0.999 409 S CB -0.540 62.682 63.200 0.037 0.000 0.844 409 S HN 0.425 nan 8.310 nan 0.000 0.459 410 I N 1.016 121.608 120.570 0.036 0.000 2.142 410 I HA -0.187 3.983 4.170 0.000 0.000 0.240 410 I C 2.117 178.241 176.117 0.011 0.000 1.078 410 I CA 1.024 62.352 61.300 0.045 0.000 1.343 410 I CB -0.454 37.633 38.000 0.144 0.000 1.046 410 I HN 0.191 nan 8.210 nan 0.000 0.405 411 L N 0.640 121.817 121.223 -0.076 0.000 2.017 411 L HA -0.207 4.133 4.340 0.000 0.000 0.208 411 L C 2.238 179.090 176.870 -0.030 0.000 1.073 411 L CA 1.739 56.525 54.840 -0.091 0.000 0.745 411 L CB -1.148 40.775 42.059 -0.227 0.000 0.894 411 L HN 0.237 nan 8.230 nan 0.000 0.432 412 N N -0.250 118.436 118.700 -0.024 0.000 2.104 412 N HA -0.237 4.503 4.740 0.000 0.000 0.190 412 N C 1.873 177.388 175.510 0.007 0.000 1.024 412 N CA 1.243 54.292 53.050 -0.001 0.000 0.853 412 N CB -0.205 38.285 38.487 0.003 0.000 1.008 412 N HN 0.374 nan 8.380 nan 0.000 0.424 413 K N 0.329 120.733 120.400 0.007 0.000 2.155 413 K HA 0.051 4.371 4.320 0.000 0.000 0.203 413 K C 0.849 177.456 176.600 0.012 0.000 1.052 413 K CA 0.877 57.170 56.287 0.010 0.000 0.948 413 K CB 0.202 32.707 32.500 0.009 0.000 0.728 413 K HN 0.166 nan 8.250 nan 0.000 0.448 414 N N 0.247 118.957 118.700 0.016 0.000 2.348 414 N HA 0.064 4.804 4.740 0.000 0.000 0.183 414 N C 0.051 175.579 175.510 0.030 0.000 1.094 414 N CA 0.031 53.095 53.050 0.022 0.000 0.885 414 N CB 0.529 39.032 38.487 0.027 0.000 1.065 414 N HN 0.082 nan 8.380 nan 0.000 0.472 415 L N 3.091 124.333 121.223 0.031 0.000 2.462 415 L HA 0.188 4.528 4.340 0.000 0.000 0.272 415 L C -1.921 174.975 176.870 0.043 0.000 1.166 415 L CA -1.245 53.619 54.840 0.041 0.000 0.880 415 L CB 0.016 42.099 42.059 0.040 0.000 1.142 415 L HN -0.162 nan 8.230 nan 0.000 0.473 416 P HA 0.097 nan 4.420 nan 0.000 0.274 416 P C -1.112 176.227 177.300 0.064 0.000 1.256 416 P CA -0.539 62.591 63.100 0.049 0.000 0.795 416 P CB 0.522 32.254 31.700 0.053 0.000 1.038 417 D N -0.778 119.653 120.400 0.052 0.000 2.249 417 D HA 0.056 4.696 4.640 0.000 0.000 0.246 417 D C 0.539 176.890 176.300 0.084 0.000 1.114 417 D CA -0.238 53.795 54.000 0.054 0.000 0.854 417 D CB 0.279 41.085 40.800 0.011 0.000 1.132 417 D HN 0.305 nan 8.370 nan 0.000 0.461 418 Y N 3.046 123.339 120.300 -0.011 0.000 2.092 418 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 418 Y C 2.311 178.203 175.900 -0.013 0.000 1.126 418 Y CA 2.497 60.593 58.100 -0.006 0.000 1.111 418 Y CB -0.975 37.485 38.460 0.000 0.000 0.987 418 Y HN 0.531 nan 8.280 nan 0.000 0.489 419 T N -2.730 111.552 114.554 -0.453 0.000 2.720 419 T HA -0.202 4.148 4.350 0.000 0.000 0.268 419 T C 1.838 176.353 174.700 -0.308 0.000 1.037 419 T CA 2.114 63.902 62.100 -0.521 0.000 1.144 419 T CB -1.263 67.423 68.868 -0.303 0.000 0.864 419 T HN 0.407 nan 8.240 nan 0.000 0.444 420 T N 1.978 116.423 114.554 -0.181 0.000 2.614 420 T HA -0.094 4.256 4.350 0.000 0.000 0.263 420 T C 2.318 176.956 174.700 -0.103 0.000 1.055 420 T CA 1.986 64.016 62.100 -0.116 0.000 1.162 420 T CB -1.088 67.739 68.868 -0.068 0.000 0.863 420 T HN 0.524 nan 8.240 nan 0.000 0.414 421 T N 1.221 115.730 114.554 -0.076 0.000 2.665 421 T HA -0.133 4.217 4.350 0.000 0.000 0.268 421 T C 1.978 176.645 174.700 -0.055 0.000 1.035 421 T CA 1.259 63.336 62.100 -0.038 0.000 1.151 421 T CB -0.601 68.275 68.868 0.013 0.000 0.862 421 T HN 0.409 nan 8.240 nan 0.000 0.438 422 c N 1.882 120.408 118.600 -0.122 0.000 2.578 422 c HA 0.226 4.796 4.570 0.000 0.000 0.285 422 c C 0.616 174.622 174.090 -0.140 0.000 1.297 422 c CA -1.032 55.226 56.329 -0.118 0.000 1.690 422 c CB -1.768 40.672 42.510 -0.116 0.000 1.773 422 c HN 0.566 nan 8.230 nan 0.000 0.594 423 N N 0.614 119.228 118.700 -0.143 0.000 2.699 423 N HA -0.142 4.598 4.740 0.000 0.000 0.256 423 N C -0.377 175.052 175.510 -0.135 0.000 0.993 423 N CA 0.510 53.489 53.050 -0.120 0.000 0.759 423 N CB -1.032 37.412 38.487 -0.072 0.000 0.906 423 N HN 0.379 nan 8.380 nan 0.000 0.541 424 V N 0.603 120.394 119.914 -0.205 0.000 2.508 424 V HA 0.094 4.214 4.120 0.000 0.000 0.281 424 V C 1.236 177.225 176.094 -0.175 0.000 1.041 424 V CA -0.433 61.773 62.300 -0.157 0.000 1.016 424 V CB 1.610 33.281 31.823 -0.253 0.000 0.984 424 V HN 0.503 nan 8.190 nan 0.000 0.478 425 S N 4.436 119.964 115.700 -0.286 0.000 2.558 425 S HA 0.100 4.570 4.470 0.000 0.000 0.293 425 S C 1.484 175.887 174.600 -0.329 0.000 1.292 425 S CA 0.044 57.972 58.200 -0.452 0.000 1.063 425 S CB 0.802 63.432 63.200 -0.950 0.000 0.831 425 S HN 1.050 nan 8.310 nan 0.000 0.499 426 A N 3.973 126.660 122.820 -0.221 0.000 2.125 426 A HA -0.023 4.297 4.320 0.000 0.000 0.219 426 A C 2.204 179.729 177.584 -0.099 0.000 1.156 426 A CA 1.625 53.583 52.037 -0.131 0.000 0.671 426 A CB -0.836 18.105 19.000 -0.098 0.000 0.794 426 A HN 1.240 nan 8.150 nan 0.000 0.459 427 S N -1.730 113.871 115.700 -0.164 0.000 2.603 427 S HA 0.182 4.652 4.470 0.000 0.000 0.220 427 S C 0.201 174.867 174.600 0.111 0.000 0.967 427 S CA -0.297 57.866 58.200 -0.062 0.000 0.920 427 S CB -0.352 62.796 63.200 -0.087 0.000 0.773 427 S HN 0.355 nan 8.310 nan 0.000 0.529 428 Y N 1.873 122.175 120.300 0.004 0.000 2.432 428 Y HA 0.583 5.133 4.550 0.000 0.000 0.322 428 Y C -2.605 173.311 175.900 0.027 0.000 1.246 428 Y CA -3.708 54.405 58.100 0.022 0.000 1.268 428 Y CB -0.369 38.106 38.460 0.024 0.000 1.276 428 Y HN -0.045 nan 8.280 nan 0.000 0.499 429 P HA 0.036 nan 4.420 nan 0.000 0.263 429 P C 0.076 177.447 177.300 0.119 0.000 1.195 429 P CA 0.233 63.424 63.100 0.153 0.000 0.762 429 P CB 0.593 32.377 31.700 0.140 0.000 0.799 430 Q N 1.404 121.225 119.800 0.034 0.000 2.319 430 Q HA 0.113 4.453 4.340 0.000 0.000 0.202 430 Q C -0.342 175.431 176.000 -0.378 0.000 0.896 430 Q CA 0.672 56.367 55.803 -0.180 0.000 0.942 430 Q CB 0.207 28.745 28.738 -0.334 0.000 1.083 430 Q HN 0.570 nan 8.270 nan 0.000 0.510 431 Y N -0.665 119.673 120.300 0.064 0.000 2.534 431 Y HA 0.376 4.926 4.550 -0.000 0.000 0.345 431 Y C -0.440 175.462 175.900 0.002 0.000 1.031 431 Y CA -1.043 57.070 58.100 0.022 0.000 1.022 431 Y CB 1.569 40.015 38.460 -0.024 0.000 1.292 431 Y HN -0.112 nan 8.280 nan 0.000 0.459 432 L N 2.172 123.469 121.223 0.124 0.000 2.331 432 L HA 0.364 4.704 4.340 0.000 0.000 0.278 432 L C 0.650 177.523 176.870 0.006 0.000 1.106 432 L CA 0.442 55.231 54.840 -0.085 0.000 0.824 432 L CB 0.891 42.727 42.059 -0.371 0.000 1.142 432 L HN 0.918 nan 8.230 nan 0.000 0.443 433 S N 2.303 117.984 115.700 -0.031 0.000 2.653 433 S HA -0.016 4.454 4.470 0.000 0.000 0.259 433 S C 1.351 176.052 174.600 0.167 0.000 1.076 433 S CA 0.051 58.366 58.200 0.191 0.000 1.051 433 S CB -0.354 62.947 63.200 0.170 0.000 0.994 433 S HN 0.716 nan 8.310 nan 0.000 0.552 434 F N 0.593 120.532 119.950 -0.017 0.000 2.287 434 F HA 0.128 4.655 4.527 0.000 0.000 0.301 434 F C 1.730 177.465 175.800 -0.107 0.000 1.069 434 F CA 0.407 58.372 58.000 -0.058 0.000 1.372 434 F CB -1.047 37.857 39.000 -0.160 0.000 1.056 434 F HN 0.191 nan 8.300 nan 0.000 0.523 435 W N 0.073 120.997 121.300 -0.628 0.000 2.595 435 W HA -0.027 4.633 4.660 -0.000 0.000 0.257 435 W C 1.634 177.941 176.519 -0.353 0.000 1.267 435 W CA 0.101 56.978 57.345 -0.780 0.000 1.300 435 W CB -0.955 27.596 29.460 -1.515 0.000 1.120 435 W HN 0.292 nan 8.180 nan 0.000 0.618 436 W N -1.006 120.524 121.300 0.383 0.000 2.842 436 W HA 0.099 4.759 4.660 0.000 0.000 0.267 436 W C -0.363 176.274 176.519 0.196 0.000 1.219 436 W CA 0.019 57.566 57.345 0.336 0.000 1.458 436 W CB -0.637 28.907 29.460 0.139 0.000 1.006 436 W HN -0.183 nan 8.180 nan 0.000 0.603 437 N N 0.852 119.790 118.700 0.397 0.000 2.626 437 N HA 0.264 5.004 4.740 0.000 0.000 0.242 437 N C -1.023 174.633 175.510 0.243 0.000 1.005 437 N CA -0.337 52.805 53.050 0.153 0.000 0.905 437 N CB 0.793 39.379 38.487 0.165 0.000 1.128 437 N HN -0.090 nan 8.380 nan 0.000 0.512 438 Y N -0.949 119.510 120.300 0.265 0.000 2.715 438 Y HA 0.589 5.139 4.550 -0.000 0.000 0.331 438 Y C -1.070 174.922 175.900 0.153 0.000 1.197 438 Y CA -1.477 56.786 58.100 0.272 0.000 1.079 438 Y CB 0.994 39.715 38.460 0.434 0.000 1.298 438 Y HN 0.087 nan 8.280 nan 0.000 0.477 439 N N -0.364 118.530 118.700 0.322 0.000 2.443 439 N HA 0.363 5.103 4.740 0.000 0.000 0.293 439 N C -0.016 175.630 175.510 0.227 0.000 1.159 439 N CA 0.002 53.158 53.050 0.177 0.000 0.904 439 N CB 1.742 40.280 38.487 0.086 0.000 1.214 439 N HN 0.876 nan 8.380 nan 0.000 0.513 440 T N -4.538 110.098 114.554 0.136 0.000 3.132 440 T HA 0.095 4.445 4.350 0.000 0.000 0.274 440 T C 0.516 175.229 174.700 0.021 0.000 1.011 440 T CA -0.430 61.729 62.100 0.098 0.000 0.899 440 T CB -0.612 68.332 68.868 0.127 0.000 1.089 440 T HN 0.501 nan 8.240 nan 0.000 0.543 441 T N 0.989 115.549 114.554 0.009 0.000 2.898 441 T HA 0.361 4.712 4.350 0.000 0.000 0.301 441 T C 1.222 175.892 174.700 -0.050 0.000 1.049 441 T CA 0.122 62.214 62.100 -0.013 0.000 1.095 441 T CB 1.271 70.135 68.868 -0.006 0.000 0.976 441 T HN 0.304 nan 8.240 nan 0.000 0.539 442 T N -2.443 112.080 114.554 -0.051 0.000 3.134 442 T HA 0.164 4.514 4.350 0.000 0.000 0.260 442 T C 1.279 175.952 174.700 -0.044 0.000 1.027 442 T CA -0.222 61.828 62.100 -0.083 0.000 0.913 442 T CB -0.374 68.441 68.868 -0.089 0.000 1.046 442 T HN 0.804 nan 8.240 nan 0.000 0.553 443 E N 1.862 122.048 120.200 -0.023 0.000 2.171 443 E HA -0.113 4.237 4.350 0.000 0.000 0.197 443 E C 1.614 178.218 176.600 0.006 0.000 0.997 443 E CA 1.019 57.421 56.400 0.003 0.000 0.810 443 E CB -0.687 29.011 29.700 -0.003 0.000 0.738 443 E HN 0.494 nan 8.360 nan 0.000 0.467 444 L N 0.877 122.074 121.223 -0.042 0.000 2.591 444 L HA 0.087 4.427 4.340 0.000 0.000 0.228 444 L C 1.349 178.183 176.870 -0.061 0.000 1.133 444 L CA -0.158 54.649 54.840 -0.054 0.000 0.880 444 L CB -0.287 41.709 42.059 -0.104 0.000 1.033 444 L HN 0.061 nan 8.230 nan 0.000 0.450 445 N N 0.011 118.665 118.700 -0.076 0.000 2.166 445 N HA -0.130 4.610 4.740 0.000 0.000 0.186 445 N C -0.112 175.301 175.510 -0.163 0.000 1.019 445 N CA 1.228 54.185 53.050 -0.154 0.000 0.856 445 N CB -0.098 38.104 38.487 -0.474 0.000 0.993 445 N HN 0.228 nan 8.380 nan 0.000 0.426 446 Y N -0.082 120.270 120.300 0.087 0.000 2.409 446 Y HA 0.359 4.909 4.550 0.000 0.000 0.339 446 Y C 0.649 176.578 175.900 0.049 0.000 1.033 446 Y CA -1.173 56.987 58.100 0.101 0.000 1.094 446 Y CB 1.134 39.644 38.460 0.084 0.000 1.210 446 Y HN -0.229 nan 8.280 nan 0.000 0.456 447 R N 0.913 121.521 120.500 0.180 0.000 2.537 447 R HA 0.146 4.486 4.340 0.000 0.000 0.280 447 R C 0.336 176.693 176.300 0.096 0.000 1.058 447 R CA 0.693 56.852 56.100 0.098 0.000 1.057 447 R CB 0.476 30.817 30.300 0.069 0.000 0.973 447 R HN 0.899 nan 8.270 nan 0.000 0.438 448 S N 0.619 116.354 115.700 0.057 0.000 2.603 448 S HA 0.149 4.619 4.470 0.000 0.000 0.232 448 S C -0.388 174.223 174.600 0.019 0.000 1.016 448 S CA -0.119 58.105 58.200 0.040 0.000 0.976 448 S CB 0.333 63.553 63.200 0.034 0.000 0.921 448 S HN 0.602 nan 8.310 nan 0.000 0.516 449 S N 0.427 116.135 115.700 0.013 0.000 2.618 449 S HA 0.777 5.247 4.470 0.000 0.000 0.277 449 S C -3.397 171.200 174.600 -0.006 0.000 1.138 449 S CA -1.426 56.774 58.200 -0.001 0.000 0.844 449 S CB 0.501 63.696 63.200 -0.009 0.000 1.127 449 S HN 0.029 nan 8.310 nan 0.000 0.474 450 P HA 0.255 nan 4.420 nan 0.000 0.271 450 P C -0.606 176.669 177.300 -0.043 0.000 1.233 450 P CA -0.494 62.589 63.100 -0.028 0.000 0.789 450 P CB 0.243 31.920 31.700 -0.039 0.000 0.951 451 I N 0.985 121.521 120.570 -0.058 0.000 2.436 451 I HA 0.130 4.300 4.170 0.000 0.000 0.289 451 I C 1.058 177.105 176.117 -0.116 0.000 1.083 451 I CA -0.543 60.711 61.300 -0.077 0.000 1.372 451 I CB -0.506 37.443 38.000 -0.084 0.000 1.408 451 I HN 0.395 nan 8.210 nan 0.000 0.516 452 A N 6.449 129.211 122.820 -0.097 0.000 2.475 452 A HA -0.022 4.298 4.320 0.000 0.000 0.239 452 A C 0.494 178.001 177.584 -0.128 0.000 1.087 452 A CA -0.241 51.735 52.037 -0.101 0.000 0.779 452 A CB 0.137 19.087 19.000 -0.084 0.000 1.036 452 A HN 0.877 nan 8.150 nan 0.000 0.506 453 c N 1.684 120.214 118.600 -0.116 0.000 2.648 453 c HA 0.291 4.861 4.570 0.000 0.000 0.406 453 c C 1.104 175.144 174.090 -0.083 0.000 1.406 453 c CA 0.639 56.896 56.329 -0.120 0.000 1.610 453 c CB -2.073 40.384 42.510 -0.087 0.000 2.451 453 c HN 0.940 nan 8.230 nan 0.000 0.608 454 Q N 1.665 121.419 119.800 -0.076 0.000 2.481 454 Q HA -0.253 4.087 4.340 0.000 0.000 0.272 454 Q C 0.169 176.145 176.000 -0.040 0.000 1.157 454 Q CA 1.113 56.910 55.803 -0.009 0.000 0.935 454 Q CB -1.295 27.462 28.738 0.032 0.000 1.338 454 Q HN 0.968 nan 8.270 nan 0.000 0.494 455 E N -0.111 120.041 120.200 -0.081 0.000 2.729 455 E HA 0.080 4.430 4.350 0.000 0.000 0.246 455 E C 0.956 177.411 176.600 -0.242 0.000 0.984 455 E CA 0.856 57.174 56.400 -0.136 0.000 0.951 455 E CB 0.194 29.822 29.700 -0.119 0.000 0.914 455 E HN 0.385 nan 8.360 nan 0.000 0.509 456 G N 3.841 112.406 108.800 -0.392 0.000 3.157 456 G HA2 0.039 3.999 3.960 0.000 0.000 0.206 456 G HA3 0.039 3.999 3.960 0.000 0.000 0.206 456 G C -0.642 173.596 174.900 -1.102 0.000 1.903 456 G CA -0.424 44.114 45.100 -0.936 0.000 0.771 456 G HN 0.587 nan 8.290 nan 0.000 0.750 457 D N 1.303 121.335 120.400 -0.613 0.000 2.571 457 D HA 0.441 5.081 4.640 0.000 0.000 0.231 457 D C 0.347 176.527 176.300 -0.201 0.000 1.133 457 D CA 1.664 55.515 54.000 -0.249 0.000 0.862 457 D CB 0.924 41.688 40.800 -0.060 0.000 1.179 457 D HN 0.591 nan 8.370 nan 0.000 0.474 458 A N 2.295 125.050 122.820 -0.108 0.000 2.608 458 A HA 0.528 4.848 4.320 0.000 0.000 0.292 458 A C -0.705 176.861 177.584 -0.030 0.000 1.066 458 A CA -0.676 51.315 52.037 -0.077 0.000 0.676 458 A CB 1.400 20.343 19.000 -0.096 0.000 1.277 458 A HN 0.388 nan 8.150 nan 0.000 0.413 459 M N 0.929 120.512 119.600 -0.029 0.000 2.504 459 M HA 0.313 4.793 4.480 0.000 0.000 0.370 459 M C -0.599 175.685 176.300 -0.026 0.000 1.110 459 M CA 0.259 55.546 55.300 -0.022 0.000 0.938 459 M CB -0.249 32.339 32.600 -0.019 0.000 1.460 459 M HN 0.882 nan 8.290 nan 0.000 0.535 460 D N 0.000 120.384 120.400 -0.026 0.000 6.856 460 D HA 0.000 4.640 4.640 0.000 0.000 0.175 460 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 460 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 460 D HN 0.000 nan 8.370 nan 0.000 0.683