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 1uli_1_E DATA FIRST_RESID 17 DATA SEQUENCE WADADIAELV DERTGRLDPR IYTDEALYEQ ELERIFGRSW LLMGHETQIP DATA SEQUENCE KAGDFMTNYM GEDPVMVVRQ KNGEIRVFLN QCRHRGMRIC RADGGNAKSF DATA SEQUENCE TCSYHGWAYD TGGNLVSVPF EEQAFPGLRK EDWGPLQARV ETYKGLIFAN DATA SEQUENCE WDADAPDLDT YLGEAKFYMD HMLDRTEAGT EAIPGIQKWV IPCNWKFAAE DATA SEQUENCE QFCSDMYHAG TTSHLSGILA GLXXXXXXXX XXXPTEGIQY RATWGGHGSG DATA SEQUENCE FYIGDPNLLL AIMGPKVTEY WTQGPAAEKA SERLGSTERG QQLMAQHMTI DATA SEQUENCE FPTCSFLPGI NTIRAWHPRG PNEIEVWAFT VVDADAPEEM KEEYRQQTLR DATA SEQUENCE TFSAGGVFEQ DDGENWVEIQ QVLRGHKARS RPFNAEMGLG QTDSDNPDYP DATA SEQUENCE GTISYVYSEE AARGLYTQWV RMMTSPDWAA LDATRP 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 17 W HA 0.000 nan 4.660 nan 0.000 0.303 17 W C 0.000 176.510 176.519 -0.015 0.000 1.175 17 W CA 0.000 57.344 57.345 -0.001 0.000 1.226 17 W CB 0.000 29.462 29.460 0.004 0.000 1.126 18 A N 2.272 125.201 122.820 0.183 0.000 2.407 18 A HA 0.279 4.600 4.320 0.001 0.000 0.248 18 A C 1.121 178.781 177.584 0.126 0.000 1.082 18 A CA 0.357 52.461 52.037 0.111 0.000 0.785 18 A CB 0.467 19.502 19.000 0.058 0.000 1.020 18 A HN 0.701 nan 8.150 nan 0.000 0.489 19 D N 1.971 122.407 120.400 0.061 0.000 2.116 19 D HA -0.195 4.446 4.640 0.001 0.000 0.193 19 D C 2.166 178.488 176.300 0.036 0.000 0.998 19 D CA 2.129 56.143 54.000 0.024 0.000 0.836 19 D CB -0.342 40.454 40.800 -0.007 0.000 0.951 19 D HN 0.673 nan 8.370 nan 0.000 0.449 20 A N 1.041 123.887 122.820 0.044 0.000 1.972 20 A HA -0.183 4.138 4.320 0.001 0.000 0.219 20 A C 1.804 179.435 177.584 0.078 0.000 1.169 20 A CA 1.619 53.682 52.037 0.045 0.000 0.635 20 A CB -0.299 18.720 19.000 0.032 0.000 0.810 20 A HN 0.030 nan 8.150 nan 0.000 0.446 21 D N 0.108 120.584 120.400 0.127 0.000 2.144 21 D HA -0.112 4.529 4.640 0.001 0.000 0.199 21 D C 1.814 178.273 176.300 0.264 0.000 0.984 21 D CA 1.101 55.232 54.000 0.218 0.000 0.834 21 D CB -0.312 40.666 40.800 0.295 0.000 0.955 21 D HN 0.540 nan 8.370 nan 0.000 0.465 22 I N 1.045 121.733 120.570 0.197 0.000 2.252 22 I HA -0.227 3.944 4.170 0.001 0.000 0.245 22 I C 2.436 178.590 176.117 0.061 0.000 1.102 22 I CA 0.928 62.260 61.300 0.053 0.000 1.385 22 I CB -0.212 37.729 38.000 -0.098 0.000 1.064 22 I HN -0.082 nan 8.210 nan 0.000 0.414 23 A N 0.356 123.201 122.820 0.043 0.000 1.978 23 A HA -0.230 4.090 4.320 0.001 0.000 0.220 23 A C 2.136 179.747 177.584 0.045 0.000 1.170 23 A CA 1.665 53.725 52.037 0.037 0.000 0.636 23 A CB -0.568 18.442 19.000 0.017 0.000 0.810 23 A HN 0.461 nan 8.150 nan 0.000 0.448 24 E N -0.376 119.857 120.200 0.055 0.000 2.347 24 E HA -0.014 4.336 4.350 0.001 0.000 0.196 24 E C 1.511 178.124 176.600 0.022 0.000 1.008 24 E CA 0.365 56.789 56.400 0.041 0.000 0.852 24 E CB -0.185 29.548 29.700 0.055 0.000 0.783 24 E HN 0.666 nan 8.360 nan 0.000 0.505 25 L N 0.241 121.481 121.223 0.028 0.000 2.376 25 L HA -0.004 4.337 4.340 0.001 0.000 0.219 25 L C 0.308 177.108 176.870 -0.117 0.000 1.133 25 L CA 0.301 55.113 54.840 -0.047 0.000 0.816 25 L CB 0.218 42.238 42.059 -0.065 0.000 0.933 25 L HN -0.098 nan 8.230 nan 0.000 0.449 26 V N -0.844 119.037 119.914 -0.054 0.000 2.709 26 V HA 0.363 4.484 4.120 0.001 0.000 0.308 26 V C -1.196 174.875 176.094 -0.037 0.000 1.062 26 V CA -0.747 61.502 62.300 -0.084 0.000 0.901 26 V CB 2.555 34.357 31.823 -0.035 0.000 1.003 26 V HN -0.089 nan 8.190 nan 0.000 0.425 27 D N 2.788 123.158 120.400 -0.050 0.000 2.402 27 D HA 0.198 4.838 4.640 0.001 0.000 0.252 27 D C 0.671 176.956 176.300 -0.025 0.000 1.294 27 D CA -0.273 53.710 54.000 -0.028 0.000 0.948 27 D CB 1.927 42.711 40.800 -0.028 0.000 1.202 27 D HN 0.800 nan 8.370 nan 0.000 0.561 28 E N 3.532 123.724 120.200 -0.013 0.000 2.285 28 E HA -0.116 4.234 4.350 0.001 0.000 0.194 28 E C 1.533 178.127 176.600 -0.010 0.000 0.997 28 E CA 0.263 56.657 56.400 -0.010 0.000 0.845 28 E CB 0.330 30.024 29.700 -0.009 0.000 0.782 28 E HN 0.342 nan 8.360 nan 0.000 0.491 29 R N 0.480 120.975 120.500 -0.009 0.000 2.066 29 R HA -0.094 4.247 4.340 0.001 0.000 0.232 29 R C 2.175 178.470 176.300 -0.007 0.000 1.131 29 R CA 2.060 58.156 56.100 -0.007 0.000 0.955 29 R CB -0.319 29.978 30.300 -0.005 0.000 0.851 29 R HN 0.285 nan 8.270 nan 0.000 0.432 30 T N -3.719 110.829 114.554 -0.010 0.000 3.037 30 T HA 0.225 4.575 4.350 0.001 0.000 0.251 30 T C 0.925 175.619 174.700 -0.011 0.000 1.079 30 T CA 0.388 62.482 62.100 -0.009 0.000 1.067 30 T CB 0.587 69.449 68.868 -0.010 0.000 0.948 30 T HN 0.422 nan 8.240 nan 0.000 0.496 31 G N 2.346 111.138 108.800 -0.015 0.000 2.545 31 G HA2 -0.116 3.845 3.960 0.001 0.000 0.279 31 G HA3 -0.116 3.845 3.960 0.001 0.000 0.279 31 G C -0.490 174.398 174.900 -0.021 0.000 1.131 31 G CA -0.736 44.355 45.100 -0.015 0.000 1.100 31 G HN 0.590 nan 8.290 nan 0.000 0.525 32 R N -0.342 120.133 120.500 -0.043 0.000 2.686 32 R HA 0.734 5.074 4.340 0.001 0.000 0.283 32 R C -0.319 175.907 176.300 -0.123 0.000 0.978 32 R CA -0.813 55.252 56.100 -0.058 0.000 0.897 32 R CB 1.843 32.111 30.300 -0.053 0.000 1.192 32 R HN 0.318 nan 8.270 nan 0.000 0.457 33 L N 1.451 122.583 121.223 -0.151 0.000 2.409 33 L HA 0.342 4.682 4.340 0.001 0.000 0.272 33 L C -0.191 176.488 176.870 -0.318 0.000 0.980 33 L CA -0.884 53.780 54.840 -0.294 0.000 0.826 33 L CB 2.356 44.193 42.059 -0.371 0.000 1.268 33 L HN 0.420 nan 8.230 nan 0.000 0.407 34 D N 4.705 124.896 120.400 -0.348 0.000 2.317 34 D HA 0.161 4.802 4.640 0.001 0.000 0.252 34 D C -1.827 174.209 176.300 -0.439 0.000 1.174 34 D CA -1.541 52.257 54.000 -0.337 0.000 0.866 34 D CB 2.200 42.867 40.800 -0.222 0.000 1.127 34 D HN 0.232 nan 8.370 nan 0.000 0.467 35 P HA -0.038 nan 4.420 nan 0.000 0.225 35 P C 1.036 178.245 177.300 -0.152 0.000 1.148 35 P CA 0.692 63.577 63.100 -0.358 0.000 0.779 35 P CB 0.224 31.589 31.700 -0.559 0.000 0.780 36 R N 0.053 120.439 120.500 -0.190 0.000 2.241 36 R HA -0.050 4.290 4.340 0.001 0.000 0.224 36 R C 2.234 178.403 176.300 -0.218 0.000 1.101 36 R CA 0.887 56.924 56.100 -0.105 0.000 0.995 36 R CB -0.935 29.366 30.300 0.001 0.000 0.870 36 R HN 0.357 nan 8.270 nan 0.000 0.463 37 I N -2.510 117.769 120.570 -0.486 0.000 2.567 37 I HA -0.228 3.942 4.170 0.001 0.000 0.257 37 I C 0.909 176.640 176.117 -0.643 0.000 1.184 37 I CA 1.476 62.357 61.300 -0.699 0.000 1.451 37 I CB -0.318 36.919 38.000 -1.271 0.000 1.089 37 I HN 0.015 nan 8.210 nan 0.000 0.441 38 Y N 1.878 121.994 120.300 -0.307 0.000 2.523 38 Y HA 0.074 4.624 4.550 0.001 0.000 0.279 38 Y C 2.509 178.364 175.900 -0.076 0.000 1.139 38 Y CA 0.884 58.828 58.100 -0.260 0.000 1.296 38 Y CB -0.272 38.046 38.460 -0.237 0.000 1.045 38 Y HN 0.385 nan 8.280 nan 0.000 0.538 39 T N -5.074 109.530 114.554 0.082 0.000 2.980 39 T HA 0.064 4.414 4.350 0.001 0.000 0.252 39 T C 0.378 175.139 174.700 0.102 0.000 0.962 39 T CA -0.257 61.903 62.100 0.099 0.000 0.932 39 T CB -0.046 68.884 68.868 0.104 0.000 1.188 39 T HN 0.051 nan 8.240 nan 0.000 0.500 40 D N 1.884 122.347 120.400 0.105 0.000 2.383 40 D HA 0.054 4.695 4.640 0.001 0.000 0.252 40 D C 0.633 177.055 176.300 0.203 0.000 1.166 40 D CA 0.047 54.151 54.000 0.172 0.000 0.879 40 D CB 1.176 42.102 40.800 0.210 0.000 1.164 40 D HN 0.179 nan 8.370 nan 0.000 0.462 41 E N 2.814 123.140 120.200 0.209 0.000 2.107 41 E HA -0.116 4.235 4.350 0.001 0.000 0.191 41 E C 1.691 178.454 176.600 0.271 0.000 0.982 41 E CA 0.527 57.060 56.400 0.221 0.000 0.809 41 E CB -0.003 29.791 29.700 0.157 0.000 0.756 41 E HN 0.621 nan 8.360 nan 0.000 0.459 42 A N 1.340 124.330 122.820 0.283 0.000 1.898 42 A HA -0.114 4.207 4.320 0.001 0.000 0.216 42 A C 2.337 180.054 177.584 0.222 0.000 1.181 42 A CA 0.892 53.106 52.037 0.295 0.000 0.620 42 A CB -0.651 18.601 19.000 0.420 0.000 0.819 42 A HN 0.148 nan 8.150 nan 0.000 0.442 43 L N -2.052 119.246 121.223 0.126 0.000 2.083 43 L HA -0.193 4.148 4.340 0.001 0.000 0.209 43 L C 2.583 179.530 176.870 0.128 0.000 1.083 43 L CA 1.725 56.544 54.840 -0.035 0.000 0.752 43 L CB -0.623 41.337 42.059 -0.165 0.000 0.899 43 L HN 0.618 nan 8.230 nan 0.000 0.433 44 Y N 0.996 121.371 120.300 0.125 0.000 2.181 44 Y HA -0.303 4.247 4.550 0.001 0.000 0.288 44 Y C 2.645 178.636 175.900 0.152 0.000 1.146 44 Y CA 2.034 60.242 58.100 0.181 0.000 1.164 44 Y CB -0.136 38.420 38.460 0.161 0.000 0.982 44 Y HN 0.223 nan 8.280 nan 0.000 0.515 45 E N -0.157 120.096 120.200 0.089 0.000 2.110 45 E HA -0.327 4.023 4.350 0.001 0.000 0.193 45 E C 2.217 178.781 176.600 -0.061 0.000 0.988 45 E CA 1.447 57.848 56.400 0.002 0.000 0.804 45 E CB -0.216 29.554 29.700 0.115 0.000 0.745 45 E HN 0.703 nan 8.360 nan 0.000 0.458 46 Q N 0.188 119.972 119.800 -0.026 0.000 2.230 46 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 46 Q C 1.744 177.689 176.000 -0.090 0.000 0.963 46 Q CA 1.220 56.989 55.803 -0.057 0.000 0.866 46 Q CB 0.184 28.885 28.738 -0.063 0.000 0.931 46 Q HN 0.345 nan 8.270 nan 0.000 0.452 47 E N 0.176 120.336 120.200 -0.066 0.000 2.077 47 E HA -0.184 4.166 4.350 0.001 0.000 0.193 47 E C 1.981 178.607 176.600 0.044 0.000 0.989 47 E CA 1.130 57.538 56.400 0.013 0.000 0.800 47 E CB -0.045 29.808 29.700 0.255 0.000 0.746 47 E HN 0.405 nan 8.360 nan 0.000 0.452 48 L N 0.790 121.963 121.223 -0.082 0.000 2.046 48 L HA -0.203 4.137 4.340 0.001 0.000 0.208 48 L C 2.676 179.559 176.870 0.021 0.000 1.077 48 L CA 1.286 56.114 54.840 -0.020 0.000 0.747 48 L CB -0.400 41.557 42.059 -0.169 0.000 0.896 48 L HN 0.207 nan 8.230 nan 0.000 0.432 49 E N 0.570 120.752 120.200 -0.030 0.000 2.028 49 E HA -0.181 4.169 4.350 0.001 0.000 0.191 49 E C 2.202 178.784 176.600 -0.031 0.000 0.988 49 E CA 1.083 57.465 56.400 -0.029 0.000 0.799 49 E CB 0.163 29.837 29.700 -0.042 0.000 0.755 49 E HN 0.371 nan 8.360 nan 0.000 0.447 50 R N -0.641 119.816 120.500 -0.072 0.000 2.290 50 R HA 0.241 4.581 4.340 0.001 0.000 0.197 50 R C 1.886 178.099 176.300 -0.144 0.000 0.913 50 R CA 0.106 56.135 56.100 -0.119 0.000 1.040 50 R CB 0.532 30.731 30.300 -0.168 0.000 0.992 50 R HN 0.287 nan 8.270 nan 0.000 0.500 51 I N -1.102 119.380 120.570 -0.147 0.000 3.523 51 I HA 0.012 4.182 4.170 0.001 0.000 0.244 51 I C 1.172 177.108 176.117 -0.301 0.000 1.110 51 I CA 0.384 61.529 61.300 -0.259 0.000 1.517 51 I CB -0.088 37.659 38.000 -0.422 0.000 1.505 51 I HN -0.080 nan 8.210 nan 0.000 0.460 52 F N 1.415 121.304 119.950 -0.102 0.000 2.293 52 F HA -0.025 4.502 4.527 0.001 0.000 0.300 52 F C 2.396 178.231 175.800 0.058 0.000 1.086 52 F CA 1.167 59.120 58.000 -0.079 0.000 1.375 52 F CB -0.688 38.226 39.000 -0.145 0.000 1.045 52 F HN 0.072 nan 8.300 nan 0.000 0.516 53 G N 0.267 109.190 108.800 0.206 0.000 2.598 53 G HA2 -0.110 3.850 3.960 0.001 0.000 0.215 53 G HA3 -0.110 3.850 3.960 0.001 0.000 0.215 53 G C 1.262 176.313 174.900 0.252 0.000 1.131 53 G CA 0.375 45.629 45.100 0.257 0.000 0.785 53 G HN 0.473 nan 8.290 nan 0.000 0.539 54 R N -1.018 119.575 120.500 0.154 0.000 2.518 54 R HA 0.332 4.672 4.340 0.001 0.000 0.419 54 R C -0.319 176.119 176.300 0.230 0.000 0.902 54 R CA -0.292 55.931 56.100 0.206 0.000 1.146 54 R CB 0.058 30.535 30.300 0.295 0.000 1.652 54 R HN 0.062 nan 8.270 nan 0.000 0.555 55 S N 0.582 116.322 115.700 0.067 0.000 2.687 55 S HA 0.393 4.863 4.470 0.001 0.000 0.283 55 S C -0.980 173.473 174.600 -0.245 0.000 1.170 55 S CA -0.625 57.602 58.200 0.045 0.000 1.008 55 S CB 0.793 64.063 63.200 0.116 0.000 1.026 55 S HN 0.227 nan 8.310 nan 0.000 0.541 56 W N 1.885 122.922 121.300 -0.437 0.000 2.311 56 W HA 0.529 5.189 4.660 0.000 0.000 0.310 56 W C -0.570 176.016 176.519 0.112 0.000 1.274 56 W CA -0.330 56.845 57.345 -0.284 0.000 1.215 56 W CB 0.184 29.278 29.460 -0.610 0.000 1.227 56 W HN 0.252 nan 8.180 nan 0.000 0.523 57 L N 4.790 126.246 121.223 0.388 0.000 2.362 57 L HA 0.440 4.781 4.340 0.001 0.000 0.271 57 L C -0.404 176.541 176.870 0.125 0.000 1.002 57 L CA -1.507 53.493 54.840 0.267 0.000 0.818 57 L CB 1.420 43.539 42.059 0.101 0.000 1.298 57 L HN 0.189 nan 8.230 nan 0.000 0.420 58 L N 3.253 124.421 121.223 -0.093 0.000 2.410 58 L HA 0.156 4.496 4.340 0.001 0.000 0.273 58 L C 0.691 177.441 176.870 -0.200 0.000 1.144 58 L CA 0.644 55.198 54.840 -0.478 0.000 0.863 58 L CB 0.665 42.494 42.059 -0.384 0.000 1.140 58 L HN 0.642 nan 8.230 nan 0.000 0.463 59 M N 3.408 122.882 119.600 -0.209 0.000 2.514 59 M HA 0.408 4.889 4.480 0.001 0.000 0.258 59 M C 0.890 177.169 176.300 -0.035 0.000 1.159 59 M CA 0.738 55.989 55.300 -0.082 0.000 1.116 59 M CB -0.396 32.156 32.600 -0.081 0.000 1.333 59 M HN 0.837 nan 8.290 nan 0.000 0.487 60 G N -0.850 107.919 108.800 -0.051 0.000 2.288 60 G HA2 -0.010 3.950 3.960 0.001 0.000 0.227 60 G HA3 -0.010 3.950 3.960 0.001 0.000 0.227 60 G C -1.446 173.471 174.900 0.029 0.000 1.339 60 G CA -0.742 44.341 45.100 -0.028 0.000 1.057 60 G HN 0.345 nan 8.290 nan 0.000 0.470 61 H N 0.758 119.738 119.070 -0.150 0.000 2.637 61 H HA 0.495 5.051 4.556 0.001 0.000 0.363 61 H C 1.152 176.435 175.328 -0.076 0.000 1.131 61 H CA -0.051 55.967 56.048 -0.050 0.000 1.183 61 H CB 2.209 31.976 29.762 0.008 0.000 1.637 61 H HN 0.669 nan 8.280 nan 0.000 0.531 62 E N 1.225 121.424 120.200 -0.002 0.000 2.130 62 E HA -0.178 4.173 4.350 0.001 0.000 0.196 62 E C 1.395 178.072 176.600 0.128 0.000 0.998 62 E CA 2.149 58.579 56.400 0.050 0.000 0.806 62 E CB 0.224 29.916 29.700 -0.012 0.000 0.738 62 E HN 0.724 nan 8.360 nan 0.000 0.459 63 T N -1.648 113.079 114.554 0.288 0.000 3.113 63 T HA -0.077 4.273 4.350 0.001 0.000 0.263 63 T C 1.568 176.263 174.700 -0.007 0.000 1.143 63 T CA 0.538 62.693 62.100 0.092 0.000 1.090 63 T CB 0.034 68.905 68.868 0.005 0.000 0.922 63 T HN 0.126 nan 8.240 nan 0.000 0.521 64 Q N 0.910 120.695 119.800 -0.025 0.000 2.245 64 Q HA 0.218 4.558 4.340 0.001 0.000 0.201 64 Q C 1.023 176.981 176.000 -0.069 0.000 0.955 64 Q CA 0.717 56.461 55.803 -0.100 0.000 0.870 64 Q CB -0.136 28.491 28.738 -0.184 0.000 0.945 64 Q HN 0.848 nan 8.270 nan 0.000 0.461 65 I N -3.378 117.175 120.570 -0.028 0.000 2.925 65 I HA 0.305 4.476 4.170 0.001 0.000 0.296 65 I C -2.347 173.780 176.117 0.015 0.000 1.413 65 I CA -2.020 59.276 61.300 -0.007 0.000 0.932 65 I CB 1.200 39.209 38.000 0.015 0.000 1.873 65 I HN -0.202 nan 8.210 nan 0.000 0.619 66 P HA -0.017 nan 4.420 nan 0.000 0.220 66 P C 0.226 177.539 177.300 0.022 0.000 1.152 66 P CA 1.145 64.254 63.100 0.016 0.000 0.812 66 P CB 0.342 32.046 31.700 0.006 0.000 0.792 67 K N -0.129 120.285 120.400 0.024 0.000 2.203 67 K HA 0.584 4.905 4.320 0.001 0.000 0.251 67 K C -0.237 176.391 176.600 0.047 0.000 0.944 67 K CA -0.967 55.337 56.287 0.029 0.000 0.829 67 K CB 1.675 34.187 32.500 0.021 0.000 1.125 67 K HN -0.131 nan 8.250 nan 0.000 0.430 68 A N 1.341 124.188 122.820 0.045 0.000 2.591 68 A HA 0.267 4.588 4.320 0.001 0.000 0.244 68 A C 1.263 178.888 177.584 0.069 0.000 1.031 68 A CA 1.430 53.500 52.037 0.056 0.000 0.767 68 A CB -1.117 17.907 19.000 0.039 0.000 0.942 68 A HN 0.987 nan 8.150 nan 0.000 0.514 69 G N 2.220 111.081 108.800 0.101 0.000 2.234 69 G HA2 -0.202 3.758 3.960 0.001 0.000 0.235 69 G HA3 -0.202 3.758 3.960 0.001 0.000 0.235 69 G C 0.002 175.044 174.900 0.237 0.000 0.997 69 G CA 0.292 45.470 45.100 0.129 0.000 0.623 69 G HN 0.856 nan 8.290 nan 0.000 0.514 70 D N 1.068 121.573 120.400 0.175 0.000 2.425 70 D HA 0.545 5.185 4.640 0.001 0.000 0.247 70 D C 0.391 176.845 176.300 0.257 0.000 1.147 70 D CA 0.730 54.820 54.000 0.151 0.000 0.879 70 D CB 0.346 41.178 40.800 0.053 0.000 1.179 70 D HN 0.589 nan 8.370 nan 0.000 0.456 71 F N -0.079 119.916 119.950 0.076 0.000 2.643 71 F HA 0.667 5.195 4.527 0.001 0.000 0.314 71 F C -1.143 174.674 175.800 0.028 0.000 1.096 71 F CA -1.344 56.700 58.000 0.073 0.000 0.953 71 F CB 1.210 40.310 39.000 0.167 0.000 1.345 71 F HN 0.196 nan 8.300 nan 0.000 0.468 72 M N 1.308 120.972 119.600 0.108 0.000 2.470 72 M HA 0.581 5.061 4.480 0.001 0.000 0.285 72 M C -1.201 175.175 176.300 0.127 0.000 1.213 72 M CA -0.653 54.653 55.300 0.011 0.000 0.901 72 M CB 2.180 34.753 32.600 -0.045 0.000 1.718 72 M HN 0.827 nan 8.290 nan 0.000 0.469 73 T N -0.288 114.351 114.554 0.141 0.000 2.849 73 T HA 0.598 4.948 4.350 0.001 0.000 0.284 73 T C -0.297 174.522 174.700 0.200 0.000 1.004 73 T CA -0.391 61.768 62.100 0.098 0.000 1.021 73 T CB 1.354 70.291 68.868 0.115 0.000 1.013 73 T HN 0.788 nan 8.240 nan 0.000 0.527 74 N N -1.015 117.677 118.700 -0.012 0.000 3.378 74 N HA 0.345 5.085 4.740 0.001 0.000 0.294 74 N C -2.142 173.022 175.510 -0.577 0.000 1.544 74 N CA -0.603 52.364 53.050 -0.138 0.000 0.872 74 N CB 1.475 39.928 38.487 -0.057 0.000 1.670 74 N HN 0.732 nan 8.380 nan 0.000 0.551 75 Y N 0.402 120.233 120.300 -0.782 0.000 2.499 75 Y HA 0.582 5.132 4.550 0.001 0.000 0.347 75 Y C -0.134 175.498 175.900 -0.447 0.000 0.987 75 Y CA -0.615 57.044 58.100 -0.736 0.000 1.044 75 Y CB 1.960 39.677 38.460 -1.238 0.000 1.245 75 Y HN 0.277 nan 8.280 nan 0.000 0.461 76 M N 3.053 122.603 119.600 -0.084 0.000 2.018 76 M HA 0.422 4.903 4.480 0.001 0.000 0.311 76 M C 0.559 176.906 176.300 0.079 0.000 0.928 76 M CA -0.126 55.191 55.300 0.027 0.000 0.911 76 M CB 1.157 33.760 32.600 0.006 0.000 1.447 76 M HN 0.993 nan 8.290 nan 0.000 0.407 77 G N 2.622 111.365 108.800 -0.094 0.000 2.565 77 G HA2 -0.272 3.688 3.960 0.001 0.000 0.295 77 G HA3 -0.272 3.688 3.960 0.001 0.000 0.295 77 G C 0.308 175.081 174.900 -0.212 0.000 1.165 77 G CA 0.377 45.232 45.100 -0.407 0.000 0.977 77 G HN 0.728 nan 8.290 nan 0.000 0.546 78 E N 1.452 121.611 120.200 -0.068 0.000 2.501 78 E HA 0.179 4.529 4.350 0.001 0.000 0.200 78 E C -0.641 176.089 176.600 0.217 0.000 1.016 78 E CA -0.181 56.254 56.400 0.058 0.000 0.921 78 E CB 0.376 30.095 29.700 0.032 0.000 1.034 78 E HN 0.418 nan 8.360 nan 0.000 0.468 79 D N 3.465 123.971 120.400 0.176 0.000 2.316 79 D HA 0.120 4.760 4.640 0.001 0.000 0.245 79 D C -2.274 173.980 176.300 -0.076 0.000 1.171 79 D CA -1.522 52.544 54.000 0.109 0.000 0.856 79 D CB 1.426 42.334 40.800 0.180 0.000 1.090 79 D HN 0.018 nan 8.370 nan 0.000 0.476 80 P HA 0.051 nan 4.420 nan 0.000 0.281 80 P C -0.287 176.772 177.300 -0.402 0.000 1.252 80 P CA -0.401 62.229 63.100 -0.783 0.000 0.778 80 P CB 1.287 32.648 31.700 -0.565 0.000 0.895 81 V N 1.068 120.717 119.914 -0.441 0.000 3.001 81 V HA 0.642 4.762 4.120 0.001 0.000 0.314 81 V C -0.256 175.599 176.094 -0.399 0.000 1.099 81 V CA -1.149 60.956 62.300 -0.326 0.000 0.989 81 V CB 2.270 33.933 31.823 -0.266 0.000 1.040 81 V HN 0.257 nan 8.190 nan 0.000 0.434 82 M N 2.897 122.135 119.600 -0.604 0.000 2.238 82 M HA 0.576 5.057 4.480 0.001 0.000 0.350 82 M C -0.861 175.129 176.300 -0.515 0.000 1.138 82 M CA -0.474 54.426 55.300 -0.668 0.000 1.040 82 M CB 1.489 33.326 32.600 -1.272 0.000 1.639 82 M HN 0.621 nan 8.290 nan 0.000 0.451 83 V N 4.468 124.257 119.914 -0.207 0.000 2.350 83 V HA 0.578 4.698 4.120 0.001 0.000 0.285 83 V C -0.307 175.818 176.094 0.051 0.000 1.014 83 V CA -0.692 61.559 62.300 -0.082 0.000 0.831 83 V CB 1.609 33.406 31.823 -0.043 0.000 1.000 83 V HN 0.657 nan 8.190 nan 0.000 0.433 84 V N 4.194 124.164 119.914 0.094 0.000 2.638 84 V HA 0.544 4.665 4.120 0.001 0.000 0.306 84 V C -0.105 176.094 176.094 0.175 0.000 1.052 84 V CA -0.997 61.430 62.300 0.212 0.000 0.885 84 V CB 2.177 34.193 31.823 0.322 0.000 0.999 84 V HN 0.839 nan 8.190 nan 0.000 0.424 85 R N 3.746 124.341 120.500 0.159 0.000 2.389 85 R HA 0.377 4.718 4.340 0.001 0.000 0.295 85 R C 0.005 176.377 176.300 0.120 0.000 1.075 85 R CA 0.097 56.266 56.100 0.116 0.000 1.005 85 R CB 0.487 30.840 30.300 0.090 0.000 0.987 85 R HN 0.675 nan 8.270 nan 0.000 0.452 86 Q N 3.105 122.964 119.800 0.099 0.000 2.199 86 Q HA 0.164 4.505 4.340 0.001 0.000 0.232 86 Q C 0.559 176.595 176.000 0.061 0.000 0.969 86 Q CA -0.354 55.501 55.803 0.087 0.000 0.925 86 Q CB 0.760 29.547 28.738 0.081 0.000 1.198 86 Q HN 0.587 nan 8.270 nan 0.000 0.494 87 K N 0.915 121.344 120.400 0.049 0.000 2.103 87 K HA -0.174 4.146 4.320 0.001 0.000 0.207 87 K C 1.130 177.747 176.600 0.029 0.000 1.048 87 K CA 1.635 57.942 56.287 0.034 0.000 0.930 87 K CB 0.026 32.541 32.500 0.025 0.000 0.716 87 K HN 0.540 nan 8.250 nan 0.000 0.444 88 N N -0.350 118.369 118.700 0.031 0.000 2.398 88 N HA -0.007 4.733 4.740 0.001 0.000 0.188 88 N C 0.983 176.509 175.510 0.027 0.000 1.122 88 N CA 1.001 54.066 53.050 0.026 0.000 0.866 88 N CB 0.600 39.101 38.487 0.024 0.000 0.970 88 N HN 0.281 nan 8.380 nan 0.000 0.462 89 G N -0.625 108.195 108.800 0.033 0.000 2.213 89 G HA2 -0.279 3.682 3.960 0.001 0.000 0.236 89 G HA3 -0.279 3.682 3.960 0.001 0.000 0.236 89 G C -0.221 174.700 174.900 0.036 0.000 0.991 89 G CA 0.089 45.208 45.100 0.032 0.000 0.629 89 G HN 0.486 nan 8.290 nan 0.000 0.517 90 E N -0.107 120.119 120.200 0.043 0.000 2.409 90 E HA 0.530 4.881 4.350 0.001 0.000 0.257 90 E C 0.202 176.840 176.600 0.064 0.000 1.150 90 E CA -0.030 56.399 56.400 0.050 0.000 0.942 90 E CB 0.952 30.683 29.700 0.053 0.000 0.979 90 E HN 0.398 nan 8.360 nan 0.000 0.447 91 I N 1.616 122.226 120.570 0.066 0.000 2.433 91 I HA 0.313 4.484 4.170 0.001 0.000 0.292 91 I C 0.124 176.298 176.117 0.094 0.000 1.001 91 I CA -0.558 60.788 61.300 0.077 0.000 1.119 91 I CB 1.351 39.385 38.000 0.057 0.000 1.289 91 I HN 0.216 nan 8.210 nan 0.000 0.438 92 R N 4.584 125.161 120.500 0.127 0.000 2.664 92 R HA 0.769 5.109 4.340 0.001 0.000 0.286 92 R C -1.305 175.069 176.300 0.123 0.000 0.967 92 R CA -0.914 55.285 56.100 0.164 0.000 0.933 92 R CB 2.651 33.106 30.300 0.258 0.000 1.146 92 R HN 0.310 nan 8.270 nan 0.000 0.468 93 V N 4.466 124.432 119.914 0.086 0.000 2.483 93 V HA 0.512 4.633 4.120 0.001 0.000 0.297 93 V C -0.923 175.208 176.094 0.062 0.000 1.027 93 V CA -0.702 61.562 62.300 -0.060 0.000 0.855 93 V CB 1.213 32.943 31.823 -0.156 0.000 0.995 93 V HN 0.677 nan 8.190 nan 0.000 0.424 94 F N 3.459 123.395 119.950 -0.024 0.000 2.613 94 F HA 0.809 5.336 4.527 0.001 0.000 0.310 94 F C -1.002 174.841 175.800 0.072 0.000 1.085 94 F CA -1.662 56.375 58.000 0.062 0.000 0.945 94 F CB 1.349 40.369 39.000 0.033 0.000 1.298 94 F HN 0.351 nan 8.300 nan 0.000 0.455 95 L N 2.522 123.986 121.223 0.401 0.000 2.499 95 L HA 0.158 4.498 4.340 0.001 0.000 0.273 95 L C 0.461 177.384 176.870 0.089 0.000 1.195 95 L CA 0.650 55.623 54.840 0.221 0.000 0.882 95 L CB 0.124 42.265 42.059 0.136 0.000 1.133 95 L HN 0.884 nan 8.230 nan 0.000 0.483 96 N N 4.600 123.260 118.700 -0.067 0.000 3.303 96 N HA 0.087 4.827 4.740 0.001 0.000 0.304 96 N C -0.798 174.665 175.510 -0.077 0.000 1.302 96 N CA -0.083 52.888 53.050 -0.132 0.000 1.213 96 N CB 0.016 38.370 38.487 -0.221 0.000 1.481 96 N HN 0.661 nan 8.380 nan 0.000 0.546 97 Q N 1.968 121.745 119.800 -0.039 0.000 2.280 97 Q HA 0.156 4.497 4.340 0.001 0.000 0.259 97 Q C -1.471 174.522 176.000 -0.011 0.000 0.964 97 Q CA -0.710 55.081 55.803 -0.019 0.000 0.844 97 Q CB 1.537 30.272 28.738 -0.005 0.000 1.334 97 Q HN 0.375 nan 8.270 nan 0.000 0.423 98 C N 4.087 123.394 119.300 0.011 0.000 2.637 98 C HA 0.277 4.738 4.460 0.001 0.000 0.418 98 C C 1.511 176.570 174.990 0.114 0.000 1.319 98 C CA -0.057 59.019 59.018 0.096 0.000 1.949 98 C CB -0.134 27.690 27.740 0.139 0.000 2.639 98 C HN 0.976 nan 8.230 nan 0.000 0.594 99 R N 1.954 122.593 120.500 0.233 0.000 2.307 99 R HA -0.037 4.304 4.340 0.001 0.000 0.199 99 R C 1.927 178.304 176.300 0.129 0.000 1.000 99 R CA 0.515 56.776 56.100 0.269 0.000 1.023 99 R CB -0.324 30.300 30.300 0.540 0.000 0.908 99 R HN 0.869 nan 8.270 nan 0.000 0.473 100 H N 0.648 119.499 119.070 -0.366 0.000 2.256 100 H HA 0.019 4.576 4.556 0.001 0.000 0.301 100 H C 0.877 175.996 175.328 -0.348 0.000 1.062 100 H CA 1.112 56.721 56.048 -0.732 0.000 1.283 100 H CB 0.525 29.349 29.762 -1.563 0.000 1.379 100 H HN -0.087 nan 8.280 nan 0.000 0.493 101 R N -0.858 119.377 120.500 -0.441 0.000 2.592 101 R HA 0.138 4.479 4.340 0.001 0.000 0.439 101 R C 0.470 176.747 176.300 -0.037 0.000 0.995 101 R CA 0.570 56.501 56.100 -0.282 0.000 1.141 101 R CB 1.245 31.332 30.300 -0.355 0.000 1.495 101 R HN 0.703 nan 8.270 nan 0.000 0.579 102 G N 1.501 110.297 108.800 -0.006 0.000 2.141 102 G HA2 -0.299 3.661 3.960 0.001 0.000 0.231 102 G HA3 -0.299 3.661 3.960 0.001 0.000 0.231 102 G C 0.175 175.106 174.900 0.051 0.000 0.984 102 G CA 0.360 45.478 45.100 0.029 0.000 0.660 102 G HN 0.234 nan 8.290 nan 0.000 0.525 103 M N 1.138 120.795 119.600 0.095 0.000 2.249 103 M HA 0.487 4.967 4.480 0.001 0.000 0.340 103 M C 0.893 177.221 176.300 0.047 0.000 1.166 103 M CA -0.865 54.491 55.300 0.093 0.000 1.115 103 M CB 0.364 33.068 32.600 0.174 0.000 1.606 103 M HN 0.378 nan 8.290 nan 0.000 0.448 104 R N 4.212 124.725 120.500 0.021 0.000 2.489 104 R HA 0.148 4.488 4.340 0.001 0.000 0.287 104 R C 0.439 176.734 176.300 -0.008 0.000 1.053 104 R CA 0.177 56.272 56.100 -0.009 0.000 1.036 104 R CB 0.065 30.360 30.300 -0.008 0.000 0.966 104 R HN 0.954 nan 8.270 nan 0.000 0.432 105 I N 2.585 123.117 120.570 -0.063 0.000 2.286 105 I HA -0.118 4.053 4.170 0.001 0.000 0.245 105 I C 0.772 176.857 176.117 -0.054 0.000 1.104 105 I CA 0.692 61.948 61.300 -0.072 0.000 1.397 105 I CB 0.200 38.064 38.000 -0.227 0.000 1.072 105 I HN 0.546 nan 8.210 nan 0.000 0.417 106 C N 0.550 119.765 119.300 -0.140 0.000 2.431 106 C HA 0.415 4.875 4.460 0.001 0.000 0.321 106 C C 1.274 176.257 174.990 -0.013 0.000 1.202 106 C CA -0.672 58.291 59.018 -0.091 0.000 1.398 106 C CB 0.943 28.488 27.740 -0.325 0.000 2.047 106 C HN 0.347 nan 8.230 nan 0.000 0.465 107 R N 2.785 123.321 120.500 0.060 0.000 2.334 107 R HA 0.329 4.669 4.340 0.001 0.000 0.212 107 R C 0.893 177.258 176.300 0.108 0.000 0.897 107 R CA 0.318 56.460 56.100 0.071 0.000 1.056 107 R CB 0.364 30.701 30.300 0.063 0.000 1.046 107 R HN 0.762 nan 8.270 nan 0.000 0.513 108 A N 0.690 123.611 122.820 0.169 0.000 2.322 108 A HA 0.130 4.450 4.320 0.001 0.000 0.269 108 A C 0.101 177.815 177.584 0.218 0.000 1.094 108 A CA -0.487 51.671 52.037 0.202 0.000 0.807 108 A CB 0.455 19.632 19.000 0.295 0.000 1.047 108 A HN 0.041 nan 8.150 nan 0.000 0.487 109 D N 0.264 120.727 120.400 0.104 0.000 2.224 109 D HA 0.260 4.900 4.640 0.001 0.000 0.205 109 D C 0.934 177.204 176.300 -0.050 0.000 0.965 109 D CA 1.987 56.010 54.000 0.038 0.000 0.852 109 D CB 0.205 40.980 40.800 -0.043 0.000 0.947 109 D HN 0.869 nan 8.370 nan 0.000 0.494 110 G N -2.083 106.569 108.800 -0.246 0.000 2.322 110 G HA2 0.495 4.455 3.960 0.001 0.000 0.295 110 G HA3 0.495 4.455 3.960 0.001 0.000 0.295 110 G C -0.394 173.939 174.900 -0.945 0.000 1.369 110 G CA -0.033 44.544 45.100 -0.872 0.000 0.821 110 G HN 0.436 nan 8.290 nan 0.000 0.536 111 G N -0.604 107.540 108.800 -1.094 0.000 2.347 111 G HA2 0.398 4.358 3.960 0.001 0.000 0.224 111 G HA3 0.398 4.358 3.960 0.001 0.000 0.224 111 G C -1.588 173.154 174.900 -0.264 0.000 1.318 111 G CA 0.139 44.954 45.100 -0.475 0.000 1.016 111 G HN 1.320 nan 8.290 nan 0.000 0.469 112 N N 0.767 119.505 118.700 0.064 0.000 2.491 112 N HA 0.608 5.348 4.740 0.001 0.000 0.274 112 N C -0.383 175.288 175.510 0.268 0.000 1.023 112 N CA 0.289 53.450 53.050 0.184 0.000 0.902 112 N CB 1.687 40.220 38.487 0.077 0.000 1.267 112 N HN 1.081 nan 8.380 nan 0.000 0.503 113 A N 3.176 126.185 122.820 0.315 0.000 2.324 113 A HA 0.424 4.745 4.320 0.001 0.000 0.330 113 A C 0.700 178.200 177.584 -0.140 0.000 1.165 113 A CA -0.463 51.579 52.037 0.007 0.000 0.813 113 A CB 1.223 19.980 19.000 -0.405 0.000 1.197 113 A HN 0.703 nan 8.150 nan 0.000 0.484 114 K N 0.490 120.790 120.400 -0.167 0.000 2.137 114 K HA 0.101 4.422 4.320 0.001 0.000 0.202 114 K C 0.610 177.066 176.600 -0.240 0.000 1.052 114 K CA 1.488 57.689 56.287 -0.145 0.000 0.961 114 K CB 0.053 32.501 32.500 -0.087 0.000 0.741 114 K HN 0.944 nan 8.250 nan 0.000 0.452 115 S N -1.953 113.498 115.700 -0.415 0.000 2.669 115 S HA 0.528 4.998 4.470 0.001 0.000 0.266 115 S C -1.447 172.722 174.600 -0.719 0.000 1.149 115 S CA -1.222 56.686 58.200 -0.485 0.000 0.842 115 S CB 0.458 63.554 63.200 -0.172 0.000 1.160 115 S HN -0.063 nan 8.310 nan 0.000 0.487 116 F N 0.447 120.443 119.950 0.076 0.000 2.556 116 F HA 0.700 5.227 4.527 0.001 0.000 0.314 116 F C 0.023 175.942 175.800 0.199 0.000 1.106 116 F CA -0.531 57.528 58.000 0.099 0.000 0.911 116 F CB 2.882 41.935 39.000 0.088 0.000 1.190 116 F HN 0.625 nan 8.300 nan 0.000 0.448 117 T N 1.351 116.117 114.554 0.354 0.000 2.848 117 T HA 0.195 4.546 4.350 0.001 0.000 0.285 117 T C -0.950 173.941 174.700 0.318 0.000 0.995 117 T CA -0.532 61.753 62.100 0.309 0.000 0.970 117 T CB 1.487 70.465 68.868 0.183 0.000 0.976 117 T HN 0.789 nan 8.240 nan 0.000 0.441 118 C N 3.890 123.426 119.300 0.393 0.000 2.648 118 C HA 0.228 4.688 4.460 0.001 0.000 0.415 118 C C 2.238 177.376 174.990 0.246 0.000 1.366 118 C CA 0.224 59.437 59.018 0.325 0.000 1.756 118 C CB -1.072 26.913 27.740 0.408 0.000 2.549 118 C HN 1.084 nan 8.230 nan 0.000 0.597 119 S N 4.472 120.283 115.700 0.186 0.000 2.453 119 S HA -0.149 4.321 4.470 0.001 0.000 0.231 119 S C 1.573 176.266 174.600 0.154 0.000 1.005 119 S CA 1.046 59.330 58.200 0.140 0.000 0.949 119 S CB -0.522 62.730 63.200 0.086 0.000 0.774 119 S HN 0.947 nan 8.310 nan 0.000 0.510 120 Y N 1.666 121.965 120.300 -0.002 0.000 2.114 120 Y HA -0.094 4.457 4.550 0.001 0.000 0.284 120 Y C 1.795 177.493 175.900 -0.336 0.000 1.119 120 Y CA 1.475 59.465 58.100 -0.182 0.000 1.108 120 Y CB 0.148 38.511 38.460 -0.162 0.000 0.995 120 Y HN 0.427 nan 8.280 nan 0.000 0.491 121 H N -1.619 117.575 119.070 0.207 0.000 2.785 121 H HA 0.293 4.850 4.556 0.001 0.000 0.268 121 H C 0.976 176.435 175.328 0.218 0.000 1.153 121 H CA 0.394 56.528 56.048 0.145 0.000 1.111 121 H CB 0.994 30.781 29.762 0.043 0.000 1.633 121 H HN 0.477 nan 8.280 nan 0.000 0.576 122 G N 0.156 109.140 108.800 0.307 0.000 2.148 122 G HA2 -0.289 3.671 3.960 0.001 0.000 0.254 122 G HA3 -0.289 3.671 3.960 0.001 0.000 0.254 122 G C -0.328 174.751 174.900 0.298 0.000 0.981 122 G CA -0.233 45.022 45.100 0.259 0.000 0.670 122 G HN 0.216 nan 8.290 nan 0.000 0.528 123 W N 0.737 122.063 121.300 0.044 0.000 2.343 123 W HA 0.520 5.180 4.660 0.001 0.000 0.337 123 W C 0.608 177.028 176.519 -0.165 0.000 1.320 123 W CA 0.104 57.378 57.345 -0.117 0.000 1.290 123 W CB 0.218 29.631 29.460 -0.079 0.000 1.206 123 W HN 0.746 nan 8.180 nan 0.000 0.565 124 A N 4.804 127.485 122.820 -0.231 0.000 2.350 124 A HA 0.819 5.140 4.320 0.001 0.000 0.324 124 A C -1.855 175.444 177.584 -0.476 0.000 1.118 124 A CA -0.594 51.336 52.037 -0.179 0.000 0.783 124 A CB 0.806 19.755 19.000 -0.084 0.000 1.236 124 A HN 0.471 nan 8.150 nan 0.000 0.457 125 Y N 0.817 121.175 120.300 0.096 0.000 2.485 125 Y HA 0.461 5.012 4.550 0.001 0.000 0.345 125 Y C 0.297 176.235 175.900 0.063 0.000 0.998 125 Y CA -0.958 57.188 58.100 0.076 0.000 1.059 125 Y CB 1.634 40.171 38.460 0.128 0.000 1.234 125 Y HN 0.855 nan 8.280 nan 0.000 0.461 126 D N -1.645 118.841 120.400 0.144 0.000 2.478 126 D HA 0.101 4.741 4.640 0.001 0.000 0.269 126 D C 1.035 177.429 176.300 0.157 0.000 1.232 126 D CA -0.327 53.717 54.000 0.074 0.000 1.059 126 D CB 0.193 41.005 40.800 0.019 0.000 1.104 126 D HN 0.587 nan 8.370 nan 0.000 0.566 127 T N -4.429 110.183 114.554 0.095 0.000 3.113 127 T HA 0.111 4.462 4.350 0.001 0.000 0.263 127 T C 1.694 176.584 174.700 0.315 0.000 1.143 127 T CA 0.491 62.733 62.100 0.238 0.000 1.090 127 T CB -0.722 68.212 68.868 0.109 0.000 0.922 127 T HN 0.564 nan 8.240 nan 0.000 0.521 128 G N 0.381 109.270 108.800 0.148 0.000 2.985 128 G HA2 0.426 4.386 3.960 0.001 0.000 0.209 128 G HA3 0.426 4.386 3.960 0.001 0.000 0.209 128 G C 1.211 175.994 174.900 -0.195 0.000 1.165 128 G CA -0.093 45.058 45.100 0.084 0.000 0.776 128 G HN 1.026 nan 8.290 nan 0.000 0.541 129 G N 0.007 108.519 108.800 -0.480 0.000 2.148 129 G HA2 -0.279 3.681 3.960 0.001 0.000 0.254 129 G HA3 -0.279 3.681 3.960 0.001 0.000 0.254 129 G C 0.152 174.851 174.900 -0.335 0.000 0.981 129 G CA -0.087 44.329 45.100 -1.141 0.000 0.670 129 G HN 0.468 nan 8.290 nan 0.000 0.528 130 N N 0.162 118.808 118.700 -0.089 0.000 2.488 130 N HA 0.362 5.102 4.740 0.001 0.000 0.274 130 N C 0.159 175.706 175.510 0.063 0.000 1.111 130 N CA -0.439 52.613 53.050 0.003 0.000 0.974 130 N CB 1.753 40.226 38.487 -0.023 0.000 1.089 130 N HN 0.271 nan 8.380 nan 0.000 0.465 131 L N 3.731 124.970 121.223 0.025 0.000 2.456 131 L HA 0.027 4.367 4.340 0.001 0.000 0.277 131 L C 1.009 177.724 176.870 -0.259 0.000 1.124 131 L CA 0.162 54.844 54.840 -0.263 0.000 0.880 131 L CB 0.338 42.280 42.059 -0.195 0.000 1.192 131 L HN 0.465 nan 8.230 nan 0.000 0.463 132 V N 1.305 121.045 119.914 -0.290 0.000 3.565 132 V HA 0.452 4.573 4.120 0.001 0.000 0.260 132 V C 0.558 176.505 176.094 -0.246 0.000 1.231 132 V CA 0.774 62.949 62.300 -0.208 0.000 1.100 132 V CB -0.521 31.222 31.823 -0.132 0.000 0.807 132 V HN 0.853 nan 8.190 nan 0.000 0.454 133 S N -1.249 114.249 115.700 -0.335 0.000 2.565 133 S HA 0.791 5.262 4.470 0.001 0.000 0.269 133 S C -1.335 172.975 174.600 -0.484 0.000 1.153 133 S CA -0.460 57.534 58.200 -0.344 0.000 0.835 133 S CB 2.196 65.257 63.200 -0.232 0.000 1.122 133 S HN 0.444 nan 8.310 nan 0.000 0.462 134 V N 2.267 121.878 119.914 -0.506 0.000 2.567 134 V HA 0.492 4.612 4.120 0.001 0.000 0.298 134 V C -2.670 173.229 176.094 -0.325 0.000 1.047 134 V CA -1.682 60.215 62.300 -0.672 0.000 0.880 134 V CB 1.788 32.919 31.823 -1.153 0.000 1.009 134 V HN 0.856 nan 8.190 nan 0.000 0.429 135 P HA 0.211 nan 4.420 nan 0.000 0.264 135 P C -0.067 177.233 177.300 0.001 0.000 1.183 135 P CA 0.312 63.304 63.100 -0.179 0.000 0.763 135 P CB -0.033 31.629 31.700 -0.062 0.000 0.807 136 F N -0.265 119.711 119.950 0.042 0.000 3.074 136 F HA -0.226 4.301 4.527 0.001 0.000 0.289 136 F C 1.647 177.510 175.800 0.104 0.000 0.863 136 F CA 1.051 59.090 58.000 0.065 0.000 1.121 136 F CB -2.322 36.728 39.000 0.082 0.000 1.169 136 F HN 0.440 nan 8.300 nan 0.000 0.570 137 E N 0.646 120.926 120.200 0.133 0.000 2.051 137 E HA -0.260 4.090 4.350 0.001 0.000 0.192 137 E C 2.051 178.724 176.600 0.120 0.000 0.991 137 E CA 1.643 58.114 56.400 0.117 0.000 0.799 137 E CB -0.078 29.571 29.700 -0.084 0.000 0.748 137 E HN 0.718 nan 8.360 nan 0.000 0.449 138 E N -0.316 119.924 120.200 0.067 0.000 2.118 138 E HA -0.240 4.111 4.350 0.001 0.000 0.195 138 E C 2.233 178.866 176.600 0.056 0.000 0.992 138 E CA 1.722 58.150 56.400 0.047 0.000 0.804 138 E CB 0.107 29.826 29.700 0.031 0.000 0.741 138 E HN 0.373 nan 8.360 nan 0.000 0.458 139 Q N -0.903 118.949 119.800 0.087 0.000 2.226 139 Q HA 0.070 4.411 4.340 0.001 0.000 0.199 139 Q C 1.755 177.749 176.000 -0.009 0.000 0.945 139 Q CA 1.140 56.970 55.803 0.045 0.000 0.861 139 Q CB 0.123 28.895 28.738 0.057 0.000 0.953 139 Q HN 0.226 nan 8.270 nan 0.000 0.490 140 A N -0.350 122.469 122.820 -0.002 0.000 2.197 140 A HA 0.334 4.654 4.320 0.001 0.000 0.210 140 A C 0.240 177.552 177.584 -0.453 0.000 1.180 140 A CA -0.211 51.699 52.037 -0.211 0.000 0.846 140 A CB 0.318 19.181 19.000 -0.228 0.000 0.884 140 A HN 0.204 nan 8.150 nan 0.000 0.487 141 F N 0.219 120.142 119.950 -0.044 0.000 2.597 141 F HA 0.294 4.821 4.527 0.001 0.000 0.336 141 F C -1.611 174.143 175.800 -0.076 0.000 1.432 141 F CA -1.722 56.229 58.000 -0.082 0.000 1.120 141 F CB 1.187 40.102 39.000 -0.142 0.000 1.253 141 F HN 0.075 nan 8.300 nan 0.000 0.546 142 P HA -0.152 nan 4.420 nan 0.000 0.215 142 P C 1.792 179.110 177.300 0.030 0.000 1.153 142 P CA 1.584 64.701 63.100 0.028 0.000 0.853 142 P CB 0.226 31.926 31.700 0.001 0.000 0.788 143 G N -0.503 108.319 108.800 0.037 0.000 2.572 143 G HA2 -0.043 3.918 3.960 0.001 0.000 0.216 143 G HA3 -0.043 3.918 3.960 0.001 0.000 0.216 143 G C 0.567 175.496 174.900 0.048 0.000 1.133 143 G CA -0.211 44.913 45.100 0.040 0.000 0.791 143 G HN 0.239 nan 8.290 nan 0.000 0.538 144 L N 1.834 123.085 121.223 0.046 0.000 2.513 144 L HA 0.238 4.579 4.340 0.001 0.000 0.272 144 L C -0.112 176.761 176.870 0.004 0.000 1.187 144 L CA -0.164 54.679 54.840 0.005 0.000 0.895 144 L CB 0.414 42.412 42.059 -0.102 0.000 1.147 144 L HN -0.053 nan 8.230 nan 0.000 0.483 145 R N 5.459 126.015 120.500 0.093 0.000 2.280 145 R HA 0.168 4.509 4.340 0.001 0.000 0.326 145 R C 0.811 177.184 176.300 0.122 0.000 1.080 145 R CA -0.273 55.880 56.100 0.088 0.000 1.002 145 R CB 0.489 30.857 30.300 0.112 0.000 1.136 145 R HN 0.705 nan 8.270 nan 0.000 0.509 146 K N 1.594 121.984 120.400 -0.016 0.000 2.152 146 K HA -0.179 4.142 4.320 0.001 0.000 0.206 146 K C 1.541 178.148 176.600 0.011 0.000 1.048 146 K CA 1.433 57.682 56.287 -0.062 0.000 0.933 146 K CB 0.319 32.699 32.500 -0.201 0.000 0.721 146 K HN 0.513 nan 8.250 nan 0.000 0.447 147 E N 1.096 121.295 120.200 -0.000 0.000 2.333 147 E HA -0.217 4.134 4.350 0.001 0.000 0.198 147 E C 0.318 176.912 176.600 -0.011 0.000 1.007 147 E CA 1.283 57.679 56.400 -0.007 0.000 0.845 147 E CB -0.019 29.672 29.700 -0.015 0.000 0.766 147 E HN 0.257 nan 8.360 nan 0.000 0.507 148 D N -0.897 119.504 120.400 0.002 0.000 2.369 148 D HA 0.061 4.702 4.640 0.001 0.000 0.211 148 D C -0.019 176.049 176.300 -0.387 0.000 1.077 148 D CA 0.131 54.037 54.000 -0.157 0.000 0.842 148 D CB -0.193 40.513 40.800 -0.157 0.000 0.947 148 D HN 0.305 nan 8.370 nan 0.000 0.509 149 W N 1.354 122.670 121.300 0.027 0.000 2.599 149 W HA 0.406 5.067 4.660 0.001 0.000 0.396 149 W C 0.975 177.604 176.519 0.183 0.000 0.944 149 W CA -0.581 56.827 57.345 0.105 0.000 2.042 149 W CB 0.777 30.303 29.460 0.110 0.000 1.184 149 W HN -0.224 nan 8.180 nan 0.000 0.604 150 G N 1.843 110.774 108.800 0.217 0.000 2.476 150 G HA2 0.457 4.417 3.960 0.001 0.000 0.286 150 G HA3 0.457 4.417 3.960 0.001 0.000 0.286 150 G C -2.199 172.785 174.900 0.139 0.000 1.177 150 G CA -1.082 44.159 45.100 0.235 0.000 0.870 150 G HN -0.278 nan 8.290 nan 0.000 0.528 151 P HA 0.062 nan 4.420 nan 0.000 0.269 151 P C 0.031 177.382 177.300 0.086 0.000 1.215 151 P CA -0.606 62.540 63.100 0.076 0.000 0.780 151 P CB 0.902 32.652 31.700 0.082 0.000 0.898 152 L N 2.604 123.868 121.223 0.068 0.000 2.559 152 L HA -0.049 4.291 4.340 0.001 0.000 0.282 152 L C 0.483 177.546 176.870 0.322 0.000 1.232 152 L CA 1.104 55.994 54.840 0.083 0.000 0.885 152 L CB -0.380 41.591 42.059 -0.146 0.000 1.131 152 L HN 0.291 nan 8.230 nan 0.000 0.498 153 Q N 4.103 124.081 119.800 0.297 0.000 2.256 153 Q HA 0.602 4.942 4.340 0.001 0.000 0.257 153 Q C -0.511 175.706 176.000 0.363 0.000 0.936 153 Q CA -0.483 55.509 55.803 0.316 0.000 0.903 153 Q CB 1.746 30.588 28.738 0.173 0.000 1.263 153 Q HN 0.821 nan 8.270 nan 0.000 0.440 154 A N 2.937 125.852 122.820 0.158 0.000 2.295 154 A HA 0.533 4.854 4.320 0.001 0.000 0.318 154 A C -0.101 177.443 177.584 -0.066 0.000 1.134 154 A CA -0.597 51.363 52.037 -0.128 0.000 0.827 154 A CB 0.613 19.162 19.000 -0.752 0.000 1.136 154 A HN 0.693 nan 8.150 nan 0.000 0.493 155 R N -0.081 120.354 120.500 -0.108 0.000 2.590 155 R HA 0.398 4.738 4.340 0.001 0.000 0.274 155 R C -1.034 175.311 176.300 0.076 0.000 1.061 155 R CA 0.044 56.134 56.100 -0.015 0.000 1.081 155 R CB 0.456 30.728 30.300 -0.047 0.000 0.984 155 R HN 0.376 nan 8.270 nan 0.000 0.448 156 V N 2.468 122.503 119.914 0.201 0.000 2.525 156 V HA 0.335 4.455 4.120 0.001 0.000 0.299 156 V C -0.361 175.875 176.094 0.236 0.000 1.034 156 V CA -0.675 61.768 62.300 0.239 0.000 0.863 156 V CB 1.758 33.652 31.823 0.119 0.000 0.999 156 V HN 0.792 nan 8.190 nan 0.000 0.423 157 E N 1.565 121.899 120.200 0.224 0.000 2.429 157 E HA 0.735 5.086 4.350 0.001 0.000 0.276 157 E C -0.947 175.670 176.600 0.030 0.000 0.953 157 E CA -0.789 55.622 56.400 0.018 0.000 0.787 157 E CB 2.872 32.434 29.700 -0.231 0.000 1.307 157 E HN 0.806 nan 8.360 nan 0.000 0.458 158 T N -1.529 113.029 114.554 0.007 0.000 2.924 158 T HA 0.548 4.898 4.350 0.001 0.000 0.291 158 T C -1.362 173.381 174.700 0.072 0.000 1.045 158 T CA -0.703 61.429 62.100 0.054 0.000 1.015 158 T CB 1.159 70.024 68.868 -0.005 0.000 1.103 158 T HN 0.487 nan 8.240 nan 0.000 0.496 159 Y N 1.526 121.810 120.300 -0.026 0.000 2.333 159 Y HA 0.396 4.946 4.550 0.001 0.000 0.324 159 Y C 0.202 176.068 175.900 -0.058 0.000 1.033 159 Y CA -0.996 57.066 58.100 -0.064 0.000 1.224 159 Y CB 0.861 39.262 38.460 -0.098 0.000 1.120 159 Y HN 0.948 nan 8.280 nan 0.000 0.457 160 K N 4.749 124.815 120.400 -0.557 0.000 3.156 160 K HA -0.265 4.055 4.320 0.001 0.000 0.266 160 K C 0.914 177.348 176.600 -0.277 0.000 0.966 160 K CA 1.133 57.141 56.287 -0.465 0.000 0.719 160 K CB -1.592 30.506 32.500 -0.670 0.000 1.333 160 K HN 1.322 nan 8.250 nan 0.000 0.468 161 G N -0.639 107.991 108.800 -0.284 0.000 2.279 161 G HA2 -0.282 3.679 3.960 0.001 0.000 0.223 161 G HA3 -0.282 3.679 3.960 0.001 0.000 0.223 161 G C 0.162 174.655 174.900 -0.679 0.000 1.015 161 G CA 0.036 44.815 45.100 -0.535 0.000 0.621 161 G HN 0.199 nan 8.290 nan 0.000 0.506 162 L N 1.722 122.767 121.223 -0.297 0.000 2.367 162 L HA 0.527 4.867 4.340 0.001 0.000 0.275 162 L C 0.578 177.443 176.870 -0.007 0.000 1.129 162 L CA -0.396 54.375 54.840 -0.116 0.000 0.839 162 L CB 1.003 43.130 42.059 0.114 0.000 1.133 162 L HN 0.131 nan 8.230 nan 0.000 0.453 163 I N 3.043 123.557 120.570 -0.093 0.000 2.336 163 I HA 0.340 4.510 4.170 0.001 0.000 0.292 163 I C -0.511 175.549 176.117 -0.096 0.000 0.991 163 I CA -0.113 61.177 61.300 -0.017 0.000 1.227 163 I CB 0.961 38.938 38.000 -0.039 0.000 1.366 163 I HN 0.302 nan 8.210 nan 0.000 0.466 164 F N 4.110 124.102 119.950 0.070 0.000 2.561 164 F HA 0.806 5.334 4.527 0.001 0.000 0.321 164 F C 0.270 176.247 175.800 0.296 0.000 1.065 164 F CA -0.593 57.513 58.000 0.176 0.000 0.934 164 F CB 1.955 41.069 39.000 0.191 0.000 1.215 164 F HN 0.410 nan 8.300 nan 0.000 0.471 165 A N 2.071 125.115 122.820 0.373 0.000 2.454 165 A HA 0.782 5.102 4.320 0.001 0.000 0.302 165 A C -1.517 175.884 177.584 -0.306 0.000 1.079 165 A CA -0.607 51.462 52.037 0.053 0.000 0.731 165 A CB 1.845 20.724 19.000 -0.201 0.000 1.299 165 A HN 0.660 nan 8.150 nan 0.000 0.413 166 N N 0.285 118.545 118.700 -0.733 0.000 2.493 166 N HA 0.169 4.909 4.740 0.001 0.000 0.279 166 N C -0.492 174.649 175.510 -0.614 0.000 1.082 166 N CA -0.516 51.970 53.050 -0.940 0.000 0.963 166 N CB 0.985 38.331 38.487 -1.902 0.000 1.627 166 N HN 0.697 nan 8.380 nan 0.000 0.499 167 W N 0.491 121.632 121.300 -0.264 0.000 2.425 167 W HA 0.052 4.712 4.660 0.000 0.000 0.277 167 W C 0.660 177.088 176.519 -0.151 0.000 1.231 167 W CA -0.121 57.130 57.345 -0.158 0.000 1.248 167 W CB 0.312 29.717 29.460 -0.092 0.000 1.117 167 W HN 0.426 nan 8.180 nan 0.000 0.568 168 D N 0.009 120.423 120.400 0.023 0.000 2.313 168 D HA 0.259 4.899 4.640 0.001 0.000 0.239 168 D C 1.062 177.324 176.300 -0.063 0.000 1.142 168 D CA 0.042 54.063 54.000 0.035 0.000 0.847 168 D CB 1.594 42.474 40.800 0.133 0.000 1.082 168 D HN -0.012 nan 8.370 nan 0.000 0.480 169 A N 3.886 126.699 122.820 -0.012 0.000 2.125 169 A HA -0.137 4.183 4.320 0.001 0.000 0.219 169 A C 1.427 178.985 177.584 -0.042 0.000 1.156 169 A CA 0.991 53.014 52.037 -0.024 0.000 0.671 169 A CB 0.056 19.060 19.000 0.007 0.000 0.794 169 A HN 0.511 nan 8.150 nan 0.000 0.459 170 D N 0.047 120.429 120.400 -0.030 0.000 2.348 170 D HA 0.255 4.896 4.640 0.001 0.000 0.211 170 D C 1.038 177.178 176.300 -0.266 0.000 0.998 170 D CA 0.775 54.753 54.000 -0.037 0.000 0.873 170 D CB -0.253 40.609 40.800 0.103 0.000 0.925 170 D HN 0.440 nan 8.370 nan 0.000 0.524 171 A N 2.303 124.808 122.820 -0.525 0.000 2.448 171 A HA 0.304 4.624 4.320 0.001 0.000 0.239 171 A C -1.996 175.230 177.584 -0.596 0.000 1.080 171 A CA -0.761 50.577 52.037 -1.165 0.000 0.779 171 A CB -0.208 18.310 19.000 -0.803 0.000 1.026 171 A HN -0.040 nan 8.150 nan 0.000 0.499 172 P HA 0.165 nan 4.420 nan 0.000 0.272 172 P C -0.701 176.671 177.300 0.120 0.000 1.240 172 P CA -0.273 62.728 63.100 -0.166 0.000 0.791 172 P CB 0.253 31.888 31.700 -0.107 0.000 0.978 173 D N 0.431 120.878 120.400 0.079 0.000 2.361 173 D HA -0.052 4.589 4.640 0.001 0.000 0.239 173 D C 1.226 177.400 176.300 -0.211 0.000 1.200 173 D CA -0.456 53.581 54.000 0.061 0.000 0.915 173 D CB 0.034 40.825 40.800 -0.014 0.000 1.170 173 D HN 0.109 nan 8.370 nan 0.000 0.444 174 L N 0.170 120.928 121.223 -0.774 0.000 2.042 174 L HA -0.181 4.160 4.340 0.001 0.000 0.210 174 L C 1.670 178.239 176.870 -0.503 0.000 1.076 174 L CA 2.004 56.159 54.840 -1.141 0.000 0.749 174 L CB -0.873 40.405 42.059 -1.303 0.000 0.893 174 L HN 0.639 nan 8.230 nan 0.000 0.432 175 D N -1.587 118.622 120.400 -0.318 0.000 2.104 175 D HA -0.212 4.429 4.640 0.001 0.000 0.194 175 D C 1.671 177.890 176.300 -0.134 0.000 0.994 175 D CA 1.995 55.874 54.000 -0.202 0.000 0.830 175 D CB 0.264 41.003 40.800 -0.102 0.000 0.959 175 D HN 0.443 nan 8.370 nan 0.000 0.452 176 T N -0.554 113.956 114.554 -0.073 0.000 2.821 176 T HA -0.164 4.186 4.350 0.001 0.000 0.267 176 T C 1.673 176.426 174.700 0.089 0.000 1.046 176 T CA 0.789 62.891 62.100 0.002 0.000 1.139 176 T CB -0.519 68.352 68.868 0.004 0.000 0.871 176 T HN 0.276 nan 8.240 nan 0.000 0.454 177 Y N 1.699 121.976 120.300 -0.038 0.000 2.181 177 Y HA -0.061 4.490 4.550 0.001 0.000 0.288 177 Y C 1.934 177.921 175.900 0.145 0.000 1.146 177 Y CA 1.148 59.323 58.100 0.125 0.000 1.164 177 Y CB -0.366 38.154 38.460 0.098 0.000 0.982 177 Y HN 0.127 nan 8.280 nan 0.000 0.515 178 L N -0.882 120.330 121.223 -0.018 0.000 2.072 178 L HA 0.038 4.378 4.340 0.001 0.000 0.205 178 L C 2.127 178.953 176.870 -0.073 0.000 1.079 178 L CA 0.706 55.417 54.840 -0.215 0.000 0.752 178 L CB -1.362 40.443 42.059 -0.423 0.000 0.906 178 L HN 0.494 nan 8.230 nan 0.000 0.436 179 G N 1.329 110.110 108.800 -0.032 0.000 2.634 179 G HA2 -0.429 3.532 3.960 0.001 0.000 0.309 179 G HA3 -0.429 3.532 3.960 0.001 0.000 0.309 179 G C 0.726 175.658 174.900 0.054 0.000 1.265 179 G CA 0.789 45.915 45.100 0.044 0.000 0.998 179 G HN 0.550 nan 8.290 nan 0.000 0.551 180 E N 0.762 121.046 120.200 0.140 0.000 2.265 180 E HA 0.213 4.564 4.350 0.001 0.000 0.196 180 E C 2.660 179.358 176.600 0.164 0.000 0.996 180 E CA 1.652 58.143 56.400 0.151 0.000 0.832 180 E CB -0.333 29.493 29.700 0.209 0.000 0.756 180 E HN 1.029 nan 8.360 nan 0.000 0.491 181 A N 1.972 124.925 122.820 0.222 0.000 2.070 181 A HA -0.206 4.114 4.320 0.001 0.000 0.220 181 A C 1.957 179.599 177.584 0.096 0.000 1.159 181 A CA 1.309 53.472 52.037 0.209 0.000 0.656 181 A CB -0.380 18.726 19.000 0.177 0.000 0.800 181 A HN 0.128 nan 8.150 nan 0.000 0.453 182 K N -1.342 119.029 120.400 -0.047 0.000 2.089 182 K HA -0.239 4.082 4.320 0.001 0.000 0.210 182 K C 1.685 178.280 176.600 -0.007 0.000 1.048 182 K CA 1.773 57.976 56.287 -0.139 0.000 0.926 182 K CB -0.478 31.890 32.500 -0.219 0.000 0.714 182 K HN 0.552 nan 8.250 nan 0.000 0.448 183 F N 0.924 120.756 119.950 -0.197 0.000 2.087 183 F HA -0.311 4.217 4.527 0.001 0.000 0.299 183 F C 1.842 177.265 175.800 -0.629 0.000 1.100 183 F CA 1.691 59.455 58.000 -0.394 0.000 1.226 183 F CB -0.382 38.290 39.000 -0.546 0.000 0.983 183 F HN 0.027 nan 8.300 nan 0.000 0.479 184 Y N -0.638 119.615 120.300 -0.078 0.000 2.337 184 Y HA -0.084 4.466 4.550 0.000 0.000 0.293 184 Y C 2.430 178.210 175.900 -0.199 0.000 1.123 184 Y CA 1.104 59.020 58.100 -0.306 0.000 1.201 184 Y CB -0.649 37.773 38.460 -0.064 0.000 1.011 184 Y HN 0.048 nan 8.280 nan 0.000 0.545 185 M N -0.266 119.430 119.600 0.160 0.000 2.159 185 M HA -0.211 4.269 4.480 0.001 0.000 0.263 185 M C 1.202 177.574 176.300 0.119 0.000 1.063 185 M CA 1.497 56.954 55.300 0.261 0.000 1.110 185 M CB -0.304 32.437 32.600 0.235 0.000 1.374 185 M HN 0.133 nan 8.290 nan 0.000 0.411 186 D N -0.152 120.237 120.400 -0.018 0.000 2.218 186 D HA -0.134 4.506 4.640 0.001 0.000 0.204 186 D C 1.663 177.957 176.300 -0.011 0.000 0.976 186 D CA 1.202 55.176 54.000 -0.043 0.000 0.853 186 D CB -0.526 40.189 40.800 -0.142 0.000 0.939 186 D HN 0.564 nan 8.370 nan 0.000 0.481 187 H N -0.597 118.446 119.070 -0.045 0.000 2.422 187 H HA -0.079 4.477 4.556 0.001 0.000 0.298 187 H C 2.085 177.495 175.328 0.136 0.000 1.098 187 H CA 0.949 56.982 56.048 -0.025 0.000 1.315 187 H CB 0.120 29.888 29.762 0.009 0.000 1.382 187 H HN 0.129 nan 8.280 nan 0.000 0.523 188 M N 0.047 119.830 119.600 0.306 0.000 2.552 188 M HA 0.051 4.532 4.480 0.001 0.000 0.264 188 M C 1.157 177.543 176.300 0.144 0.000 1.159 188 M CA 0.906 56.382 55.300 0.293 0.000 1.176 188 M CB 0.650 33.395 32.600 0.241 0.000 1.327 188 M HN 0.156 nan 8.290 nan 0.000 0.481 189 L N -0.776 120.490 121.223 0.072 0.000 2.529 189 L HA 0.108 4.448 4.340 0.001 0.000 0.223 189 L C 0.446 177.297 176.870 -0.031 0.000 1.113 189 L CA 0.273 55.119 54.840 0.009 0.000 0.861 189 L CB 0.079 42.127 42.059 -0.019 0.000 1.012 189 L HN 0.189 nan 8.230 nan 0.000 0.461 190 D N -0.499 119.884 120.400 -0.028 0.000 2.720 190 D HA 0.104 4.744 4.640 0.001 0.000 0.285 190 D C 1.520 177.779 176.300 -0.068 0.000 1.359 190 D CA -0.003 53.957 54.000 -0.067 0.000 0.818 190 D CB 0.411 41.159 40.800 -0.087 0.000 1.108 190 D HN -0.034 nan 8.370 nan 0.000 0.474 191 R N -0.811 119.661 120.500 -0.048 0.000 2.193 191 R HA 0.087 4.427 4.340 0.001 0.000 0.213 191 R C 0.800 177.057 176.300 -0.071 0.000 1.055 191 R CA 0.660 56.712 56.100 -0.081 0.000 0.995 191 R CB 0.346 30.605 30.300 -0.069 0.000 0.893 191 R HN 0.064 nan 8.270 nan 0.000 0.459 192 T N -0.647 113.882 114.554 -0.042 0.000 2.868 192 T HA 0.037 4.387 4.350 0.001 0.000 0.306 192 T C 0.533 175.212 174.700 -0.035 0.000 1.224 192 T CA -0.857 61.223 62.100 -0.034 0.000 1.012 192 T CB 1.923 70.789 68.868 -0.003 0.000 1.221 192 T HN 0.149 nan 8.240 nan 0.000 0.499 193 E N 1.910 122.090 120.200 -0.033 0.000 2.268 193 E HA -0.008 4.343 4.350 0.001 0.000 0.195 193 E C 1.715 178.301 176.600 -0.025 0.000 0.995 193 E CA 1.370 57.749 56.400 -0.034 0.000 0.836 193 E CB -0.590 29.091 29.700 -0.031 0.000 0.763 193 E HN 0.643 nan 8.360 nan 0.000 0.491 194 A N 1.491 124.303 122.820 -0.012 0.000 2.172 194 A HA 0.247 4.568 4.320 0.001 0.000 0.216 194 A C 1.389 178.972 177.584 -0.000 0.000 1.154 194 A CA 1.227 53.263 52.037 -0.003 0.000 0.701 194 A CB -0.891 18.113 19.000 0.008 0.000 0.789 194 A HN 0.606 nan 8.150 nan 0.000 0.465 195 G N -1.325 107.471 108.800 -0.007 0.000 2.752 195 G HA2 -0.026 3.934 3.960 0.001 0.000 0.234 195 G HA3 -0.026 3.934 3.960 0.001 0.000 0.234 195 G C 0.148 175.067 174.900 0.032 0.000 1.367 195 G CA 0.195 45.297 45.100 0.002 0.000 0.879 195 G HN 1.519 nan 8.290 nan 0.000 0.563 196 T N -1.775 112.826 114.554 0.079 0.000 2.936 196 T HA 0.775 5.125 4.350 0.001 0.000 0.282 196 T C -0.034 174.683 174.700 0.028 0.000 1.003 196 T CA 0.292 62.435 62.100 0.072 0.000 1.005 196 T CB 2.125 71.066 68.868 0.122 0.000 1.097 196 T HN 1.431 nan 8.240 nan 0.000 0.532 197 E N -0.255 119.835 120.200 -0.184 0.000 2.393 197 E HA 0.626 4.976 4.350 0.001 0.000 0.273 197 E C -1.246 175.063 176.600 -0.485 0.000 0.918 197 E CA -1.657 54.490 56.400 -0.422 0.000 0.773 197 E CB 1.849 31.441 29.700 -0.179 0.000 1.275 197 E HN 0.838 nan 8.360 nan 0.000 0.451 198 A N 2.554 125.050 122.820 -0.540 0.000 2.331 198 A HA 0.420 4.740 4.320 0.001 0.000 0.283 198 A C 0.177 177.697 177.584 -0.106 0.000 1.142 198 A CA -0.701 51.215 52.037 -0.202 0.000 0.812 198 A CB 0.005 18.889 19.000 -0.194 0.000 1.074 198 A HN 0.602 nan 8.150 nan 0.000 0.497 199 I N 3.571 124.130 120.570 -0.019 0.000 2.618 199 I HA 0.100 4.270 4.170 0.001 0.000 0.284 199 I C -1.760 174.353 176.117 -0.007 0.000 1.146 199 I CA -1.219 60.077 61.300 -0.006 0.000 1.425 199 I CB 0.570 38.588 38.000 0.030 0.000 1.383 199 I HN 0.460 nan 8.210 nan 0.000 0.562 200 P HA 0.237 nan 4.420 nan 0.000 0.269 200 P C -0.130 177.155 177.300 -0.025 0.000 1.209 200 P CA 0.172 63.241 63.100 -0.052 0.000 0.776 200 P CB 0.661 32.329 31.700 -0.053 0.000 0.876 201 G N 1.413 110.188 108.800 -0.041 0.000 3.226 201 G HA2 0.033 3.993 3.960 0.001 0.000 0.685 201 G HA3 0.033 3.993 3.960 0.001 0.000 0.685 201 G C -1.281 173.632 174.900 0.022 0.000 1.207 201 G CA -0.888 44.202 45.100 -0.017 0.000 0.877 201 G HN 0.436 nan 8.290 nan 0.000 0.585 202 I N 2.087 122.655 120.570 -0.003 0.000 2.447 202 I HA 0.365 4.535 4.170 0.001 0.000 0.287 202 I C 0.348 176.474 176.117 0.015 0.000 1.023 202 I CA -0.662 60.665 61.300 0.045 0.000 1.083 202 I CB 2.061 40.041 38.000 -0.035 0.000 1.245 202 I HN 0.631 nan 8.210 nan 0.000 0.434 203 Q N 6.664 126.537 119.800 0.122 0.000 2.267 203 Q HA 0.398 4.738 4.340 0.001 0.000 0.255 203 Q C -1.158 174.977 176.000 0.225 0.000 0.923 203 Q CA -0.471 55.428 55.803 0.160 0.000 0.925 203 Q CB 1.176 30.045 28.738 0.219 0.000 1.195 203 Q HN 0.507 nan 8.270 nan 0.000 0.417 204 K N 4.498 124.981 120.400 0.138 0.000 2.376 204 K HA 0.494 4.815 4.320 0.001 0.000 0.257 204 K C -1.389 175.451 176.600 0.399 0.000 0.939 204 K CA -0.534 55.801 56.287 0.081 0.000 0.809 204 K CB 1.336 33.604 32.500 -0.387 0.000 1.121 204 K HN 0.586 nan 8.250 nan 0.000 0.425 205 W N -0.051 121.331 121.300 0.137 0.000 3.042 205 W HA 0.632 5.292 4.660 0.001 0.000 0.342 205 W C -1.821 174.823 176.519 0.209 0.000 1.240 205 W CA -1.145 56.289 57.345 0.148 0.000 1.166 205 W CB 0.580 30.115 29.460 0.126 0.000 1.469 205 W HN 0.086 nan 8.180 nan 0.000 0.579 206 V N 3.221 123.311 119.914 0.294 0.000 2.384 206 V HA 0.450 4.571 4.120 0.001 0.000 0.287 206 V C -0.202 176.014 176.094 0.202 0.000 1.020 206 V CA -0.821 61.584 62.300 0.174 0.000 0.850 206 V CB 1.032 32.955 31.823 0.167 0.000 0.987 206 V HN 0.506 nan 8.190 nan 0.000 0.436 207 I N 7.062 127.722 120.570 0.150 0.000 2.410 207 I HA 0.366 4.536 4.170 0.001 0.000 0.286 207 I C -2.252 173.963 176.117 0.163 0.000 1.009 207 I CA -2.037 59.387 61.300 0.206 0.000 1.111 207 I CB 2.735 40.906 38.000 0.286 0.000 1.262 207 I HN 0.419 nan 8.210 nan 0.000 0.443 208 P HA 0.070 nan 4.420 nan 0.000 0.241 208 P C -0.530 176.840 177.300 0.116 0.000 1.760 208 P CA -0.032 63.133 63.100 0.108 0.000 1.081 208 P CB -0.403 31.348 31.700 0.085 0.000 1.975 209 C N 0.215 119.594 119.300 0.131 0.000 3.236 209 C HA 0.526 4.987 4.460 0.001 0.000 0.312 209 C C -0.049 175.015 174.990 0.124 0.000 1.374 209 C CA -1.246 57.855 59.018 0.139 0.000 1.455 209 C CB 1.267 29.102 27.740 0.158 0.000 1.834 209 C HN 0.324 nan 8.230 nan 0.000 0.460 210 N N 1.342 120.145 118.700 0.172 0.000 2.518 210 N HA 0.074 4.814 4.740 0.001 0.000 0.266 210 N C 1.202 176.644 175.510 -0.114 0.000 1.196 210 N CA 0.153 53.225 53.050 0.036 0.000 0.947 210 N CB 0.722 39.171 38.487 -0.064 0.000 1.098 210 N HN 1.015 nan 8.380 nan 0.000 0.450 211 W N 4.664 125.905 121.300 -0.099 0.000 2.374 211 W HA -0.100 4.561 4.660 0.001 0.000 0.288 211 W C 0.800 177.103 176.519 -0.361 0.000 1.218 211 W CA 0.376 57.597 57.345 -0.206 0.000 1.245 211 W CB -0.483 28.982 29.460 0.008 0.000 1.126 211 W HN 0.513 nan 8.180 nan 0.000 0.545 212 K N 0.314 120.067 120.400 -1.079 0.000 2.209 212 K HA -0.111 4.210 4.320 0.001 0.000 0.204 212 K C 1.893 178.088 176.600 -0.676 0.000 1.048 212 K CA 1.662 57.305 56.287 -1.074 0.000 0.940 212 K CB -0.660 31.135 32.500 -1.175 0.000 0.729 212 K HN 0.121 nan 8.250 nan 0.000 0.451 213 F N 1.019 120.626 119.950 -0.572 0.000 2.134 213 F HA -0.213 4.314 4.527 0.001 0.000 0.299 213 F C 2.607 177.814 175.800 -0.989 0.000 1.097 213 F CA 0.921 58.479 58.000 -0.736 0.000 1.264 213 F CB -0.294 38.125 39.000 -0.968 0.000 1.001 213 F HN 0.043 nan 8.300 nan 0.000 0.479 214 A N 0.132 122.218 122.820 -1.224 0.000 1.873 214 A HA -0.044 4.276 4.320 0.001 0.000 0.215 214 A C 2.354 179.443 177.584 -0.825 0.000 1.186 214 A CA 1.547 52.644 52.037 -1.567 0.000 0.616 214 A CB -1.279 16.181 19.000 -2.567 0.000 0.823 214 A HN 0.300 nan 8.150 nan 0.000 0.442 215 A N -0.421 121.992 122.820 -0.678 0.000 1.902 215 A HA -0.202 4.118 4.320 0.001 0.000 0.217 215 A C 2.057 179.628 177.584 -0.022 0.000 1.181 215 A CA 1.829 53.788 52.037 -0.130 0.000 0.623 215 A CB -0.558 18.471 19.000 0.048 0.000 0.818 215 A HN 0.661 nan 8.150 nan 0.000 0.443 216 E N -0.551 119.550 120.200 -0.165 0.000 2.031 216 E HA -0.291 4.059 4.350 0.001 0.000 0.193 216 E C 2.258 178.886 176.600 0.047 0.000 0.994 216 E CA 1.522 57.869 56.400 -0.089 0.000 0.800 216 E CB -0.216 29.433 29.700 -0.085 0.000 0.752 216 E HN 0.769 nan 8.360 nan 0.000 0.447 217 Q N -0.652 119.187 119.800 0.065 0.000 2.096 217 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 217 Q C 1.888 177.960 176.000 0.120 0.000 0.982 217 Q CA 1.727 57.587 55.803 0.094 0.000 0.850 217 Q CB -0.139 28.714 28.738 0.192 0.000 0.901 217 Q HN 0.270 nan 8.270 nan 0.000 0.422 218 F N -0.697 119.330 119.950 0.128 0.000 2.456 218 F HA -0.083 4.444 4.527 0.001 0.000 0.298 218 F C 2.428 178.410 175.800 0.303 0.000 1.104 218 F CA 0.456 58.594 58.000 0.230 0.000 1.435 218 F CB -0.519 38.688 39.000 0.345 0.000 1.078 218 F HN 0.316 nan 8.300 nan 0.000 0.546 219 C N -1.600 117.917 119.300 0.361 0.000 2.466 219 C HA -0.040 4.420 4.460 0.001 0.000 0.278 219 C C 2.748 177.920 174.990 0.303 0.000 1.288 219 C CA 1.710 60.886 59.018 0.264 0.000 1.722 219 C CB -0.763 27.061 27.740 0.140 0.000 2.017 219 C HN 0.424 nan 8.230 nan 0.000 0.488 220 S N -1.818 114.027 115.700 0.242 0.000 2.684 220 S HA 0.161 4.632 4.470 0.001 0.000 0.268 220 S C -0.174 174.491 174.600 0.109 0.000 1.075 220 S CA 0.029 58.350 58.200 0.202 0.000 1.184 220 S CB -0.213 63.041 63.200 0.090 0.000 1.129 220 S HN 0.626 nan 8.310 nan 0.000 0.630 221 D N 1.711 122.046 120.400 -0.108 0.000 2.590 221 D HA 0.286 4.927 4.640 0.001 0.000 0.280 221 D C 0.652 176.923 176.300 -0.048 0.000 1.197 221 D CA -0.250 53.743 54.000 -0.012 0.000 0.967 221 D CB 0.616 41.429 40.800 0.021 0.000 0.987 221 D HN 0.241 nan 8.370 nan 0.000 0.508 222 M N 1.963 121.534 119.600 -0.049 0.000 2.349 222 M HA -0.057 4.424 4.480 0.001 0.000 0.266 222 M C 1.204 177.712 176.300 0.346 0.000 1.076 222 M CA 0.931 56.281 55.300 0.083 0.000 1.126 222 M CB -0.322 32.305 32.600 0.044 0.000 1.392 222 M HN 0.327 nan 8.290 nan 0.000 0.440 223 Y N 0.951 121.377 120.300 0.211 0.000 2.102 223 Y HA -0.381 4.170 4.550 0.001 0.000 0.280 223 Y C 2.655 178.537 175.900 -0.031 0.000 1.178 223 Y CA 2.594 60.666 58.100 -0.046 0.000 1.146 223 Y CB -0.948 37.494 38.460 -0.031 0.000 0.968 223 Y HN 0.618 nan 8.280 nan 0.000 0.504 224 H N -1.121 117.932 119.070 -0.029 0.000 2.389 224 H HA -0.010 4.546 4.556 0.001 0.000 0.299 224 H C 1.990 177.284 175.328 -0.057 0.000 1.081 224 H CA 1.510 57.480 56.048 -0.130 0.000 1.345 224 H CB -0.830 28.895 29.762 -0.062 0.000 1.393 224 H HN 0.356 nan 8.280 nan 0.000 0.520 225 A N 0.952 123.417 122.820 -0.592 0.000 2.016 225 A HA 0.106 4.426 4.320 0.001 0.000 0.217 225 A C 2.665 180.274 177.584 0.041 0.000 1.162 225 A CA 0.936 52.833 52.037 -0.232 0.000 0.662 225 A CB -0.881 18.067 19.000 -0.087 0.000 0.812 225 A HN 0.595 nan 8.150 nan 0.000 0.450 226 G N -1.100 107.751 108.800 0.084 0.000 2.880 226 G HA2 0.212 4.172 3.960 0.001 0.000 0.209 226 G HA3 0.212 4.172 3.960 0.001 0.000 0.209 226 G C 1.142 176.004 174.900 -0.063 0.000 1.157 226 G CA 1.457 46.651 45.100 0.156 0.000 0.779 226 G HN 0.617 nan 8.290 nan 0.000 0.539 227 T N -2.290 112.146 114.554 -0.197 0.000 2.435 227 T HA 0.167 4.517 4.350 0.001 0.000 0.177 227 T C 2.071 176.666 174.700 -0.176 0.000 0.716 227 T CA 1.513 63.468 62.100 -0.243 0.000 1.523 227 T CB 0.047 68.649 68.868 -0.444 0.000 2.878 227 T HN 0.066 nan 8.240 nan 0.000 0.405 228 T N -1.370 113.058 114.554 -0.209 0.000 2.969 228 T HA 0.267 4.617 4.350 0.001 0.000 0.250 228 T C 2.187 176.765 174.700 -0.205 0.000 1.021 228 T CA 0.567 62.563 62.100 -0.175 0.000 1.003 228 T CB -0.520 68.250 68.868 -0.164 0.000 1.040 228 T HN 0.262 nan 8.240 nan 0.000 0.492 229 S N 1.337 116.875 115.700 -0.271 0.000 2.383 229 S HA -0.108 4.363 4.470 0.001 0.000 0.229 229 S C 1.119 175.405 174.600 -0.523 0.000 1.030 229 S CA 1.072 59.023 58.200 -0.415 0.000 1.002 229 S CB -0.345 62.567 63.200 -0.480 0.000 0.829 229 S HN 0.643 nan 8.310 nan 0.000 0.467 230 H N -0.203 118.779 119.070 -0.146 0.000 2.510 230 H HA 0.356 4.913 4.556 0.001 0.000 0.266 230 H C 1.226 176.411 175.328 -0.239 0.000 1.146 230 H CA -0.234 55.680 56.048 -0.222 0.000 0.993 230 H CB -0.181 29.524 29.762 -0.096 0.000 1.727 230 H HN 0.272 nan 8.280 nan 0.000 0.590 231 L N 0.648 121.811 121.223 -0.100 0.000 2.043 231 L HA -0.234 4.107 4.340 0.001 0.000 0.212 231 L C 2.580 179.368 176.870 -0.137 0.000 1.075 231 L CA 1.973 56.755 54.840 -0.095 0.000 0.752 231 L CB -0.399 41.605 42.059 -0.091 0.000 0.891 231 L HN 0.279 nan 8.230 nan 0.000 0.432 232 S N -0.256 115.341 115.700 -0.173 0.000 2.387 232 S HA -0.087 4.383 4.470 0.001 0.000 0.226 232 S C 2.104 176.534 174.600 -0.284 0.000 1.026 232 S CA 0.823 58.910 58.200 -0.188 0.000 0.972 232 S CB -0.960 62.140 63.200 -0.166 0.000 0.814 232 S HN 0.415 nan 8.310 nan 0.000 0.477 233 G N 1.774 110.277 108.800 -0.496 0.000 2.422 233 G HA2 -0.051 3.909 3.960 0.001 0.000 0.218 233 G HA3 -0.051 3.909 3.960 0.001 0.000 0.218 233 G C 1.403 175.907 174.900 -0.660 0.000 1.146 233 G CA 0.926 45.451 45.100 -0.958 0.000 0.769 233 G HN 0.557 nan 8.290 nan 0.000 0.547 234 I N -0.081 120.265 120.570 -0.374 0.000 2.142 234 I HA -0.115 4.055 4.170 0.001 0.000 0.240 234 I C 2.559 178.653 176.117 -0.039 0.000 1.078 234 I CA 0.464 61.743 61.300 -0.035 0.000 1.343 234 I CB -0.183 37.835 38.000 0.030 0.000 1.046 234 I HN 0.064 nan 8.210 nan 0.000 0.405 235 L N 0.740 121.915 121.223 -0.080 0.000 2.079 235 L HA -0.211 4.130 4.340 0.001 0.000 0.210 235 L C 2.596 179.433 176.870 -0.055 0.000 1.081 235 L CA 2.092 56.897 54.840 -0.059 0.000 0.752 235 L CB -1.147 40.870 42.059 -0.071 0.000 0.896 235 L HN 0.231 nan 8.230 nan 0.000 0.433 236 A N -0.854 121.915 122.820 -0.085 0.000 2.067 236 A HA -0.030 4.290 4.320 0.001 0.000 0.219 236 A C 2.221 179.794 177.584 -0.019 0.000 1.158 236 A CA 1.402 53.401 52.037 -0.064 0.000 0.661 236 A CB -0.993 17.947 19.000 -0.100 0.000 0.801 236 A HN 0.435 nan 8.150 nan 0.000 0.452 237 G N -1.294 107.512 108.800 0.011 0.000 2.985 237 G HA2 0.420 4.380 3.960 0.001 0.000 0.209 237 G HA3 0.420 4.380 3.960 0.001 0.000 0.209 237 G C 0.390 175.306 174.900 0.027 0.000 1.165 237 G CA 0.028 45.155 45.100 0.045 0.000 0.776 237 G HN 0.365 nan 8.290 nan 0.000 0.541 251 T N -0.703 113.808 114.554 -0.071 0.000 3.038 251 T HA 0.126 4.477 4.350 0.001 0.000 0.244 251 T C 0.276 175.091 174.700 0.192 0.000 1.016 251 T CA 0.476 62.644 62.100 0.113 0.000 1.098 251 T CB 0.495 69.433 68.868 0.115 0.000 0.954 251 T HN 0.427 nan 8.240 nan 0.000 0.469 252 E N 0.528 120.816 120.200 0.147 0.000 2.214 252 E HA 0.616 4.967 4.350 0.001 0.000 0.274 252 E C -0.063 176.632 176.600 0.158 0.000 0.977 252 E CA -0.777 55.735 56.400 0.187 0.000 0.827 252 E CB 1.887 31.674 29.700 0.145 0.000 1.130 252 E HN 0.365 nan 8.360 nan 0.000 0.394 253 G N 1.199 110.034 108.800 0.058 0.000 2.316 253 G HA2 0.383 4.344 3.960 0.001 0.000 0.296 253 G HA3 0.383 4.344 3.960 0.001 0.000 0.296 253 G C -1.419 173.310 174.900 -0.285 0.000 1.399 253 G CA -0.798 44.233 45.100 -0.116 0.000 0.833 253 G HN 0.556 nan 8.290 nan 0.000 0.565 254 I N -2.993 117.243 120.570 -0.557 0.000 3.042 254 I HA 0.884 5.054 4.170 0.001 0.000 0.310 254 I C -1.036 174.635 176.117 -0.744 0.000 1.117 254 I CA -1.129 59.832 61.300 -0.565 0.000 1.003 254 I CB 2.583 40.276 38.000 -0.512 0.000 1.228 254 I HN 0.667 nan 8.210 nan 0.000 0.443 255 Q N 2.605 122.137 119.800 -0.446 0.000 2.304 255 Q HA 0.347 4.687 4.340 0.001 0.000 0.270 255 Q C -2.192 173.683 176.000 -0.207 0.000 1.035 255 Q CA -0.751 54.843 55.803 -0.349 0.000 0.781 255 Q CB 2.748 31.359 28.738 -0.212 0.000 1.261 255 Q HN 0.775 nan 8.270 nan 0.000 0.444 256 Y N 4.273 124.353 120.300 -0.368 0.000 2.327 256 Y HA 0.396 4.946 4.550 0.001 0.000 0.336 256 Y C -0.980 174.774 175.900 -0.243 0.000 1.035 256 Y CA -0.601 57.281 58.100 -0.364 0.000 1.165 256 Y CB 0.834 38.766 38.460 -0.880 0.000 1.181 256 Y HN 0.530 nan 8.280 nan 0.000 0.494 257 R N 5.708 125.822 120.500 -0.643 0.000 2.343 257 R HA 0.629 4.969 4.340 0.001 0.000 0.320 257 R C -1.118 174.650 176.300 -0.887 0.000 0.956 257 R CA -0.594 55.095 56.100 -0.685 0.000 0.836 257 R CB 1.106 31.216 30.300 -0.316 0.000 1.151 257 R HN 0.908 nan 8.270 nan 0.000 0.450 258 A N 3.472 125.727 122.820 -0.942 0.000 2.520 258 A HA 0.110 4.430 4.320 0.001 0.000 0.245 258 A C 1.172 178.648 177.584 -0.181 0.000 1.072 258 A CA 0.071 51.831 52.037 -0.463 0.000 0.761 258 A CB 0.371 19.273 19.000 -0.162 0.000 1.004 258 A HN 0.922 nan 8.150 nan 0.000 0.499 259 T N 1.391 115.952 114.554 0.011 0.000 2.653 259 T HA -0.147 4.203 4.350 0.001 0.000 0.268 259 T C 0.238 175.018 174.700 0.133 0.000 1.035 259 T CA 2.142 64.286 62.100 0.072 0.000 1.154 259 T CB -0.165 68.780 68.868 0.129 0.000 0.862 259 T HN 0.725 nan 8.240 nan 0.000 0.441 260 W N -1.502 119.753 121.300 -0.075 0.000 3.107 260 W HA 0.503 5.163 4.660 0.001 0.000 0.331 260 W C 0.470 176.860 176.519 -0.215 0.000 1.204 260 W CA 0.013 57.281 57.345 -0.129 0.000 1.184 260 W CB 1.533 30.949 29.460 -0.074 0.000 1.421 260 W HN 0.233 nan 8.180 nan 0.000 0.544 261 G N 1.252 109.412 108.800 -1.066 0.000 2.255 261 G HA2 0.171 4.131 3.960 0.001 0.000 0.196 261 G HA3 0.171 4.131 3.960 0.001 0.000 0.196 261 G C 0.962 175.069 174.900 -1.321 0.000 0.998 261 G CA 0.523 44.878 45.100 -1.242 0.000 0.656 261 G HN 2.148 nan 8.290 nan 0.000 0.490 262 G N -0.364 107.841 108.800 -0.991 0.000 2.159 262 G HA2 -0.240 3.721 3.960 0.001 0.000 0.256 262 G HA3 -0.240 3.721 3.960 0.001 0.000 0.256 262 G C 0.288 174.973 174.900 -0.358 0.000 0.977 262 G CA 0.909 45.559 45.100 -0.750 0.000 0.652 262 G HN 1.336 nan 8.290 nan 0.000 0.531 263 H N 0.467 119.466 119.070 -0.119 0.000 2.607 263 H HA 0.624 5.180 4.556 0.001 0.000 0.367 263 H C 0.789 176.047 175.328 -0.117 0.000 1.181 263 H CA 0.528 56.587 56.048 0.018 0.000 1.402 263 H CB 1.356 31.195 29.762 0.129 0.000 1.474 263 H HN 0.852 nan 8.280 nan 0.000 0.596 264 G N -0.900 107.970 108.800 0.117 0.000 2.673 264 G HA2 0.421 4.381 3.960 0.001 0.000 0.292 264 G HA3 0.421 4.381 3.960 0.001 0.000 0.292 264 G C -1.372 173.575 174.900 0.079 0.000 1.450 264 G CA -0.437 44.643 45.100 -0.035 0.000 0.837 264 G HN 0.634 nan 8.290 nan 0.000 0.505 265 S N -1.212 114.493 115.700 0.008 0.000 2.535 265 S HA 0.841 5.311 4.470 0.001 0.000 0.272 265 S C -0.233 174.186 174.600 -0.302 0.000 1.149 265 S CA 0.210 58.337 58.200 -0.123 0.000 0.888 265 S CB 1.518 64.748 63.200 0.049 0.000 1.110 265 S HN 1.881 nan 8.310 nan 0.000 0.463 266 G N 1.848 110.176 108.800 -0.788 0.000 2.642 266 G HA2 0.884 4.845 3.960 0.001 0.000 0.293 266 G HA3 0.884 4.845 3.960 0.001 0.000 0.293 266 G C -1.523 173.168 174.900 -0.347 0.000 1.341 266 G CA -0.780 43.927 45.100 -0.656 0.000 0.916 266 G HN 1.130 nan 8.290 nan 0.000 0.474 267 F N -1.904 117.877 119.950 -0.283 0.000 2.708 267 F HA 0.547 5.074 4.527 0.001 0.000 0.309 267 F C -1.440 174.236 175.800 -0.206 0.000 1.120 267 F CA -2.027 55.856 58.000 -0.195 0.000 0.978 267 F CB 0.645 39.640 39.000 -0.008 0.000 1.283 267 F HN 0.522 nan 8.300 nan 0.000 0.439 268 Y N 2.033 122.435 120.300 0.170 0.000 2.301 268 Y HA 0.657 5.208 4.550 0.001 0.000 0.328 268 Y C 0.303 176.322 175.900 0.199 0.000 1.242 268 Y CA -0.699 57.452 58.100 0.084 0.000 1.323 268 Y CB 1.130 39.632 38.460 0.070 0.000 1.266 268 Y HN 0.461 nan 8.280 nan 0.000 0.527 269 I N 1.230 121.990 120.570 0.317 0.000 2.436 269 I HA 0.421 4.591 4.170 0.001 0.000 0.289 269 I C 0.632 176.856 176.117 0.178 0.000 1.010 269 I CA 0.006 61.456 61.300 0.251 0.000 1.098 269 I CB 1.708 39.843 38.000 0.225 0.000 1.266 269 I HN 0.936 nan 8.210 nan 0.000 0.434 270 G N 4.794 113.684 108.800 0.150 0.000 2.659 270 G HA2 -0.245 3.715 3.960 0.001 0.000 0.212 270 G HA3 -0.245 3.715 3.960 0.001 0.000 0.212 270 G C 0.004 174.955 174.900 0.086 0.000 1.226 270 G CA -0.088 45.075 45.100 0.104 0.000 0.739 270 G HN 0.592 nan 8.290 nan 0.000 0.528 271 D N 2.439 122.884 120.400 0.075 0.000 2.317 271 D HA 0.556 5.197 4.640 0.001 0.000 0.234 271 D C -0.778 175.550 176.300 0.046 0.000 1.112 271 D CA -1.924 52.096 54.000 0.033 0.000 0.840 271 D CB 1.752 42.534 40.800 -0.030 0.000 1.078 271 D HN 0.174 nan 8.370 nan 0.000 0.486 272 P HA -0.012 nan 4.420 nan 0.000 0.242 272 P C 0.542 177.872 177.300 0.050 0.000 1.197 272 P CA 0.117 63.262 63.100 0.075 0.000 0.765 272 P CB 0.511 32.257 31.700 0.076 0.000 0.936 273 N N 0.258 118.967 118.700 0.015 0.000 2.120 273 N HA -0.124 4.616 4.740 0.001 0.000 0.188 273 N C 1.579 177.109 175.510 0.034 0.000 1.024 273 N CA 0.749 53.806 53.050 0.011 0.000 0.852 273 N CB -0.999 37.478 38.487 -0.018 0.000 1.003 273 N HN 0.108 nan 8.380 nan 0.000 0.424 274 L N 0.192 121.438 121.223 0.037 0.000 2.156 274 L HA 0.056 4.396 4.340 0.001 0.000 0.208 274 L C 1.805 178.720 176.870 0.074 0.000 1.095 274 L CA 1.076 55.977 54.840 0.102 0.000 0.770 274 L CB -0.696 41.487 42.059 0.207 0.000 0.914 274 L HN 0.116 nan 8.230 nan 0.000 0.439 275 L N -1.229 120.032 121.223 0.064 0.000 2.072 275 L HA -0.103 4.237 4.340 0.001 0.000 0.205 275 L C 2.275 179.147 176.870 0.002 0.000 1.079 275 L CA 1.587 56.435 54.840 0.012 0.000 0.752 275 L CB -0.752 41.325 42.059 0.030 0.000 0.906 275 L HN 0.303 nan 8.230 nan 0.000 0.436 276 L N -0.456 120.785 121.223 0.030 0.000 2.056 276 L HA -0.077 4.264 4.340 0.001 0.000 0.207 276 L C 2.466 179.358 176.870 0.035 0.000 1.078 276 L CA 1.780 56.637 54.840 0.027 0.000 0.749 276 L CB -0.639 41.441 42.059 0.035 0.000 0.901 276 L HN 0.279 nan 8.230 nan 0.000 0.433 277 A N -0.621 122.237 122.820 0.063 0.000 1.969 277 A HA -0.133 4.187 4.320 0.001 0.000 0.218 277 A C 2.188 179.863 177.584 0.151 0.000 1.169 277 A CA 1.882 53.985 52.037 0.110 0.000 0.635 277 A CB -0.692 18.398 19.000 0.151 0.000 0.810 277 A HN 0.491 nan 8.150 nan 0.000 0.445 278 I N -1.513 119.097 120.570 0.067 0.000 2.270 278 I HA -0.115 4.056 4.170 0.001 0.000 0.239 278 I C 2.188 178.289 176.117 -0.026 0.000 1.080 278 I CA 0.985 62.258 61.300 -0.046 0.000 1.383 278 I CB -0.087 37.749 38.000 -0.273 0.000 1.097 278 I HN 0.196 nan 8.210 nan 0.000 0.420 279 M N -0.032 119.530 119.600 -0.063 0.000 2.367 279 M HA 0.319 4.799 4.480 0.001 0.000 0.256 279 M C 0.830 177.073 176.300 -0.094 0.000 1.091 279 M CA 0.346 55.580 55.300 -0.111 0.000 1.049 279 M CB -0.257 32.223 32.600 -0.199 0.000 1.406 279 M HN 0.310 nan 8.290 nan 0.000 0.498 280 G N 1.554 110.328 108.800 -0.043 0.000 2.756 280 G HA2 -0.139 3.822 3.960 0.001 0.000 0.678 280 G HA3 -0.139 3.822 3.960 0.001 0.000 0.678 280 G C -2.352 172.536 174.900 -0.020 0.000 1.349 280 G CA -0.464 44.621 45.100 -0.026 0.000 0.847 280 G HN 0.094 nan 8.290 nan 0.000 0.548 281 P HA -0.016 nan 4.420 nan 0.000 0.220 281 P C 1.572 178.887 177.300 0.025 0.000 1.152 281 P CA 1.492 64.602 63.100 0.016 0.000 0.812 281 P CB 0.039 31.750 31.700 0.018 0.000 0.792 282 K N -0.114 120.290 120.400 0.006 0.000 2.026 282 K HA -0.051 4.270 4.320 0.001 0.000 0.208 282 K C 2.160 178.785 176.600 0.042 0.000 1.048 282 K CA 1.268 57.568 56.287 0.020 0.000 0.929 282 K CB -0.949 31.546 32.500 -0.009 0.000 0.713 282 K HN -0.017 nan 8.250 nan 0.000 0.439 283 V N 1.527 121.413 119.914 -0.047 0.000 2.358 283 V HA -0.219 3.902 4.120 0.001 0.000 0.246 283 V C 2.204 178.364 176.094 0.110 0.000 1.047 283 V CA 2.039 64.293 62.300 -0.076 0.000 1.035 283 V CB -0.646 30.940 31.823 -0.395 0.000 0.658 283 V HN 0.401 nan 8.190 nan 0.000 0.452 284 T N -0.605 113.989 114.554 0.066 0.000 2.788 284 T HA -0.243 4.107 4.350 0.001 0.000 0.268 284 T C 1.870 176.688 174.700 0.196 0.000 1.044 284 T CA 1.823 64.003 62.100 0.132 0.000 1.139 284 T CB -0.187 68.728 68.868 0.077 0.000 0.867 284 T HN 0.628 nan 8.240 nan 0.000 0.454 285 E N -0.176 120.118 120.200 0.157 0.000 2.047 285 E HA -0.162 4.189 4.350 0.001 0.000 0.191 285 E C 2.002 178.716 176.600 0.190 0.000 0.987 285 E CA 0.893 57.380 56.400 0.145 0.000 0.799 285 E CB -0.224 29.544 29.700 0.112 0.000 0.752 285 E HN 0.656 nan 8.360 nan 0.000 0.449 286 Y N -0.023 120.359 120.300 0.136 0.000 2.256 286 Y HA -0.231 4.320 4.550 0.001 0.000 0.288 286 Y C 1.940 177.986 175.900 0.244 0.000 1.155 286 Y CA 1.805 60.008 58.100 0.173 0.000 1.203 286 Y CB -0.277 38.305 38.460 0.203 0.000 0.980 286 Y HN 0.264 nan 8.280 nan 0.000 0.530 287 W N 0.657 122.017 121.300 0.100 0.000 2.584 287 W HA -0.094 4.566 4.660 0.001 0.000 0.264 287 W C 1.259 177.754 176.519 -0.040 0.000 1.264 287 W CA 1.742 59.109 57.345 0.035 0.000 1.306 287 W CB 0.197 29.730 29.460 0.122 0.000 1.110 287 W HN 0.318 nan 8.180 nan 0.000 0.606 288 T N -3.414 111.175 114.554 0.058 0.000 2.969 288 T HA 0.244 4.594 4.350 0.001 0.000 0.258 288 T C 0.296 174.969 174.700 -0.045 0.000 0.962 288 T CA -0.122 61.967 62.100 -0.018 0.000 0.903 288 T CB 0.726 69.642 68.868 0.081 0.000 1.177 288 T HN -0.057 nan 8.240 nan 0.000 0.511 289 Q N 0.250 120.030 119.800 -0.034 0.000 2.389 289 Q HA 0.597 4.938 4.340 0.001 0.000 0.277 289 Q C -0.240 175.730 176.000 -0.050 0.000 1.082 289 Q CA -0.567 55.217 55.803 -0.032 0.000 0.810 289 Q CB 2.386 31.128 28.738 0.006 0.000 1.374 289 Q HN 0.582 nan 8.270 nan 0.000 0.422 290 G N 1.430 110.200 108.800 -0.050 0.000 2.710 290 G HA2 -0.168 3.792 3.960 0.001 0.000 0.668 290 G HA3 -0.168 3.792 3.960 0.001 0.000 0.668 290 G C -2.275 172.578 174.900 -0.078 0.000 1.320 290 G CA -0.605 44.468 45.100 -0.045 0.000 0.860 290 G HN 0.460 nan 8.290 nan 0.000 0.538 291 P HA -0.071 nan 4.420 nan 0.000 0.215 291 P C 2.126 179.361 177.300 -0.108 0.000 1.153 291 P CA 3.107 66.169 63.100 -0.064 0.000 0.853 291 P CB -0.251 31.432 31.700 -0.028 0.000 0.788 292 A N 0.270 122.997 122.820 -0.155 0.000 1.898 292 A HA -0.033 4.287 4.320 0.001 0.000 0.216 292 A C 2.449 179.839 177.584 -0.322 0.000 1.181 292 A CA 2.165 54.053 52.037 -0.248 0.000 0.620 292 A CB -1.511 17.233 19.000 -0.426 0.000 0.819 292 A HN 0.225 nan 8.150 nan 0.000 0.442 293 A N -0.299 122.312 122.820 -0.348 0.000 1.969 293 A HA -0.105 4.215 4.320 0.001 0.000 0.218 293 A C 1.904 179.338 177.584 -0.250 0.000 1.169 293 A CA 1.509 53.343 52.037 -0.340 0.000 0.635 293 A CB -0.410 18.415 19.000 -0.292 0.000 0.810 293 A HN 0.634 nan 8.150 nan 0.000 0.445 294 E N -0.347 119.745 120.200 -0.180 0.000 2.072 294 E HA -0.160 4.191 4.350 0.001 0.000 0.190 294 E C 2.043 178.563 176.600 -0.134 0.000 0.982 294 E CA 1.059 57.377 56.400 -0.138 0.000 0.803 294 E CB -0.140 29.501 29.700 -0.098 0.000 0.755 294 E HN 0.598 nan 8.360 nan 0.000 0.453 295 K N 0.998 121.320 120.400 -0.130 0.000 2.074 295 K HA -0.206 4.115 4.320 0.001 0.000 0.209 295 K C 2.139 178.654 176.600 -0.141 0.000 1.048 295 K CA 1.286 57.503 56.287 -0.116 0.000 0.926 295 K CB -0.125 32.316 32.500 -0.098 0.000 0.713 295 K HN 0.081 nan 8.250 nan 0.000 0.444 296 A N 0.655 123.361 122.820 -0.190 0.000 1.877 296 A HA -0.146 4.174 4.320 0.001 0.000 0.216 296 A C 2.184 179.641 177.584 -0.212 0.000 1.186 296 A CA 2.123 54.027 52.037 -0.223 0.000 0.620 296 A CB -0.656 18.144 19.000 -0.334 0.000 0.822 296 A HN 0.385 nan 8.150 nan 0.000 0.443 297 S N -0.217 115.358 115.700 -0.208 0.000 2.383 297 S HA -0.181 4.290 4.470 0.001 0.000 0.229 297 S C 1.818 176.335 174.600 -0.138 0.000 1.030 297 S CA 1.576 59.670 58.200 -0.177 0.000 1.002 297 S CB -0.312 62.796 63.200 -0.154 0.000 0.829 297 S HN 0.712 nan 8.310 nan 0.000 0.467 298 E N 0.925 121.052 120.200 -0.120 0.000 2.047 298 E HA -0.082 4.269 4.350 0.001 0.000 0.191 298 E C 2.332 178.873 176.600 -0.098 0.000 0.987 298 E CA 0.790 57.132 56.400 -0.096 0.000 0.799 298 E CB -0.121 29.530 29.700 -0.081 0.000 0.752 298 E HN 0.389 nan 8.360 nan 0.000 0.449 299 R N 0.295 120.731 120.500 -0.108 0.000 2.148 299 R HA -0.022 4.318 4.340 0.001 0.000 0.227 299 R C 1.945 178.171 176.300 -0.124 0.000 1.103 299 R CA 0.686 56.723 56.100 -0.105 0.000 0.983 299 R CB -0.023 30.215 30.300 -0.104 0.000 0.874 299 R HN 0.176 nan 8.270 nan 0.000 0.451 300 L N -0.616 120.517 121.223 -0.150 0.000 2.607 300 L HA 0.246 4.587 4.340 0.001 0.000 0.228 300 L C 0.988 177.759 176.870 -0.165 0.000 1.123 300 L CA 0.101 54.828 54.840 -0.189 0.000 0.890 300 L CB 0.399 42.326 42.059 -0.221 0.000 1.103 300 L HN 0.345 nan 8.230 nan 0.000 0.468 301 G N 0.676 109.402 108.800 -0.123 0.000 2.203 301 G HA2 -0.306 3.654 3.960 0.001 0.000 0.263 301 G HA3 -0.306 3.654 3.960 0.001 0.000 0.263 301 G C 0.187 175.032 174.900 -0.092 0.000 1.012 301 G CA 0.640 45.684 45.100 -0.093 0.000 0.749 301 G HN 0.416 nan 8.290 nan 0.000 0.512 302 S N -2.233 113.402 115.700 -0.109 0.000 2.570 302 S HA 0.577 5.047 4.470 0.001 0.000 0.286 302 S C 1.023 175.559 174.600 -0.107 0.000 1.143 302 S CA 0.803 58.945 58.200 -0.097 0.000 0.921 302 S CB 0.929 64.067 63.200 -0.103 0.000 1.108 302 S HN 0.438 nan 8.310 nan 0.000 0.456 303 T N 3.224 117.730 114.554 -0.079 0.000 2.821 303 T HA -0.063 4.287 4.350 0.001 0.000 0.267 303 T C 1.574 176.227 174.700 -0.077 0.000 1.046 303 T CA 1.735 63.786 62.100 -0.081 0.000 1.139 303 T CB -0.279 68.559 68.868 -0.051 0.000 0.871 303 T HN 0.771 nan 8.240 nan 0.000 0.454 304 E N 0.950 121.129 120.200 -0.035 0.000 2.051 304 E HA -0.134 4.216 4.350 0.001 0.000 0.192 304 E C 2.419 178.986 176.600 -0.056 0.000 0.991 304 E CA 0.941 57.348 56.400 0.012 0.000 0.799 304 E CB 0.053 29.821 29.700 0.114 0.000 0.748 304 E HN 0.368 nan 8.360 nan 0.000 0.449 305 R N -0.530 119.900 120.500 -0.115 0.000 2.081 305 R HA -0.077 4.263 4.340 0.001 0.000 0.235 305 R C 2.458 178.499 176.300 -0.431 0.000 1.131 305 R CA 1.192 57.105 56.100 -0.312 0.000 0.960 305 R CB -0.348 29.781 30.300 -0.285 0.000 0.856 305 R HN 0.253 nan 8.270 nan 0.000 0.436 306 G N -0.128 108.474 108.800 -0.330 0.000 2.396 306 G HA2 -0.195 3.765 3.960 0.001 0.000 0.214 306 G HA3 -0.195 3.765 3.960 0.001 0.000 0.214 306 G C 1.221 175.844 174.900 -0.462 0.000 1.166 306 G CA 0.241 45.102 45.100 -0.399 0.000 0.793 306 G HN 0.285 nan 8.290 nan 0.000 0.533 307 Q N -1.242 118.378 119.800 -0.300 0.000 2.245 307 Q HA 0.165 4.505 4.340 0.001 0.000 0.250 307 Q C 1.718 177.652 176.000 -0.110 0.000 0.830 307 Q CA 0.012 55.675 55.803 -0.234 0.000 0.950 307 Q CB 0.867 29.511 28.738 -0.156 0.000 1.124 307 Q HN 0.411 nan 8.270 nan 0.000 0.502 308 Q N -0.034 119.727 119.800 -0.065 0.000 2.219 308 Q HA 0.185 4.525 4.340 0.001 0.000 0.209 308 Q C -0.768 175.287 176.000 0.092 0.000 0.854 308 Q CA -0.137 55.686 55.803 0.034 0.000 0.960 308 Q CB 0.908 29.678 28.738 0.052 0.000 1.116 308 Q HN 0.045 nan 8.270 nan 0.000 0.500 309 L N 1.132 122.384 121.223 0.049 0.000 2.276 309 L HA 0.374 4.715 4.340 0.001 0.000 0.286 309 L C -0.612 176.459 176.870 0.334 0.000 1.061 309 L CA 0.137 55.051 54.840 0.125 0.000 0.807 309 L CB 1.138 43.109 42.059 -0.146 0.000 1.177 309 L HN 0.089 nan 8.230 nan 0.000 0.429 310 M N 4.050 123.856 119.600 0.343 0.000 2.106 310 M HA 0.665 5.145 4.480 0.001 0.000 0.288 310 M C -0.312 176.172 176.300 0.308 0.000 0.941 310 M CA -0.747 54.751 55.300 0.330 0.000 0.934 310 M CB 1.390 34.165 32.600 0.291 0.000 1.551 310 M HN 0.634 nan 8.290 nan 0.000 0.437 311 A N 2.826 125.751 122.820 0.175 0.000 1.638 311 A HA -0.129 4.191 4.320 0.001 0.000 0.352 311 A C -0.442 177.238 177.584 0.159 0.000 0.754 311 A CA 0.618 52.718 52.037 0.105 0.000 0.472 311 A CB -0.832 18.257 19.000 0.148 0.000 2.090 311 A HN 0.819 nan 8.150 nan 0.000 0.281 312 Q N 1.561 121.442 119.800 0.134 0.000 2.365 312 Q HA 0.665 5.005 4.340 0.001 0.000 0.269 312 Q C -0.395 175.675 176.000 0.116 0.000 1.061 312 Q CA -0.519 55.391 55.803 0.179 0.000 0.816 312 Q CB 1.332 30.220 28.738 0.250 0.000 1.325 312 Q HN 1.273 nan 8.270 nan 0.000 0.446 313 H N 1.828 120.936 119.070 0.063 0.000 2.679 313 H HA 0.796 5.353 4.556 0.001 0.000 0.367 313 H C -1.135 174.201 175.328 0.014 0.000 1.162 313 H CA -1.022 55.021 56.048 -0.009 0.000 1.181 313 H CB 1.800 31.509 29.762 -0.088 0.000 1.693 313 H HN 0.626 nan 8.280 nan 0.000 0.538 314 M N 1.861 121.457 119.600 -0.007 0.000 2.414 314 M HA 0.409 4.889 4.480 0.001 0.000 0.287 314 M C -1.846 174.370 176.300 -0.140 0.000 1.181 314 M CA -0.201 54.986 55.300 -0.189 0.000 0.933 314 M CB 2.532 34.808 32.600 -0.539 0.000 1.732 314 M HN 0.862 nan 8.290 nan 0.000 0.486 315 T N 4.698 119.293 114.554 0.068 0.000 2.824 315 T HA 0.576 4.927 4.350 0.001 0.000 0.282 315 T C -0.738 174.132 174.700 0.283 0.000 0.993 315 T CA -0.521 61.694 62.100 0.192 0.000 0.967 315 T CB 1.153 70.199 68.868 0.297 0.000 0.960 315 T HN 0.434 nan 8.240 nan 0.000 0.441 316 I N 3.839 124.632 120.570 0.372 0.000 2.297 316 I HA 0.270 4.441 4.170 0.001 0.000 0.291 316 I C 0.243 176.724 176.117 0.607 0.000 1.033 316 I CA -0.803 60.787 61.300 0.483 0.000 1.253 316 I CB 0.122 38.363 38.000 0.403 0.000 1.396 316 I HN 0.636 nan 8.210 nan 0.000 0.476 317 F N 10.340 130.638 119.950 0.580 0.000 2.607 317 F HA 0.139 4.667 4.527 0.001 0.000 0.374 317 F C -1.201 174.835 175.800 0.394 0.000 1.104 317 F CA -0.704 57.485 58.000 0.316 0.000 1.296 317 F CB 0.721 39.722 39.000 0.003 0.000 1.085 317 F HN 0.384 nan 8.300 nan 0.000 0.584 318 P HA 0.004 nan 4.420 nan 0.000 0.224 318 P C 0.278 177.486 177.300 -0.153 0.000 1.159 318 P CA 1.171 63.710 63.100 -0.935 0.000 0.824 318 P CB 0.285 31.212 31.700 -1.289 0.000 0.833 319 T N -4.599 110.005 114.554 0.083 0.000 3.475 319 T HA 0.206 4.556 4.350 0.001 0.000 0.310 319 T C -0.082 174.743 174.700 0.210 0.000 0.963 319 T CA -0.416 61.879 62.100 0.325 0.000 0.985 319 T CB -1.460 67.566 68.868 0.262 0.000 1.198 319 T HN 0.032 nan 8.240 nan 0.000 0.508 320 C N 2.525 121.972 119.300 0.244 0.000 2.255 320 C HA 0.830 5.291 4.460 0.001 0.000 0.326 320 C C -0.196 174.948 174.990 0.256 0.000 1.258 320 C CA 0.024 59.161 59.018 0.199 0.000 1.676 320 C CB -0.676 27.312 27.740 0.412 0.000 2.314 320 C HN 0.617 nan 8.230 nan 0.000 0.509 321 S N 4.502 120.246 115.700 0.073 0.000 2.570 321 S HA 0.957 5.428 4.470 0.001 0.000 0.286 321 S C -0.993 173.714 174.600 0.178 0.000 1.099 321 S CA -0.421 57.832 58.200 0.088 0.000 0.913 321 S CB 1.508 64.741 63.200 0.055 0.000 1.085 321 S HN 0.907 nan 8.310 nan 0.000 0.480 322 F N -0.922 119.165 119.950 0.228 0.000 2.741 322 F HA 0.660 5.187 4.527 0.001 0.000 0.311 322 F C -2.101 173.850 175.800 0.252 0.000 1.149 322 F CA -1.389 56.710 58.000 0.166 0.000 0.930 322 F CB 0.965 40.001 39.000 0.059 0.000 1.312 322 F HN 0.328 nan 8.300 nan 0.000 0.450 323 L N 2.112 123.517 121.223 0.303 0.000 2.433 323 L HA 0.446 4.787 4.340 0.001 0.000 0.256 323 L C -2.736 174.208 176.870 0.123 0.000 1.063 323 L CA -1.785 53.124 54.840 0.116 0.000 0.922 323 L CB 1.347 43.327 42.059 -0.131 0.000 1.238 323 L HN 0.259 nan 8.230 nan 0.000 0.466 324 P HA 0.078 nan 4.420 nan 0.000 0.262 324 P C 0.929 178.182 177.300 -0.078 0.000 1.182 324 P CA 0.955 64.199 63.100 0.240 0.000 0.761 324 P CB 1.096 33.061 31.700 0.443 0.000 0.795 325 G N 2.872 111.301 108.800 -0.619 0.000 2.850 325 G HA2 -0.301 3.659 3.960 0.001 0.000 0.207 325 G HA3 -0.301 3.659 3.960 0.001 0.000 0.207 325 G C 1.011 175.559 174.900 -0.587 0.000 1.302 325 G CA 0.221 44.426 45.100 -1.491 0.000 0.832 325 G HN 0.460 nan 8.290 nan 0.000 0.543 326 I N 1.162 121.557 120.570 -0.292 0.000 2.333 326 I HA 0.111 4.281 4.170 0.001 0.000 0.246 326 I C 1.516 177.681 176.117 0.079 0.000 1.106 326 I CA 1.525 62.761 61.300 -0.105 0.000 1.411 326 I CB -0.311 37.565 38.000 -0.207 0.000 1.082 326 I HN 0.544 nan 8.210 nan 0.000 0.420 327 N N -0.177 118.526 118.700 0.005 0.000 2.829 327 N HA -0.173 4.567 4.740 0.001 0.000 0.250 327 N C 0.354 175.862 175.510 -0.004 0.000 1.090 327 N CA 0.403 53.453 53.050 0.000 0.000 0.781 327 N CB -1.059 37.358 38.487 -0.117 0.000 1.124 327 N HN 0.329 nan 8.380 nan 0.000 0.559 328 T N 0.775 115.339 114.554 0.017 0.000 2.907 328 T HA 0.612 4.962 4.350 0.001 0.000 0.298 328 T C -0.151 174.532 174.700 -0.028 0.000 1.017 328 T CA -0.146 61.955 62.100 0.002 0.000 1.118 328 T CB 0.862 69.789 68.868 0.098 0.000 0.948 328 T HN 0.299 nan 8.240 nan 0.000 0.531 329 I N 4.772 125.203 120.570 -0.230 0.000 2.802 329 I HA 0.736 4.906 4.170 0.001 0.000 0.298 329 I C -1.259 174.589 176.117 -0.449 0.000 1.176 329 I CA -0.890 60.237 61.300 -0.287 0.000 1.025 329 I CB 1.517 39.237 38.000 -0.466 0.000 1.243 329 I HN 0.762 nan 8.210 nan 0.000 0.424 330 R N 5.515 125.787 120.500 -0.380 0.000 2.692 330 R HA 0.786 5.126 4.340 0.001 0.000 0.269 330 R C -2.119 173.840 176.300 -0.569 0.000 1.030 330 R CA -0.803 55.020 56.100 -0.462 0.000 0.882 330 R CB 1.335 31.256 30.300 -0.631 0.000 1.250 330 R HN 0.622 nan 8.270 nan 0.000 0.465 331 A N 1.147 123.662 122.820 -0.508 0.000 2.317 331 A HA 0.699 5.019 4.320 0.001 0.000 0.327 331 A C -1.364 175.717 177.584 -0.839 0.000 1.178 331 A CA -0.805 50.863 52.037 -0.616 0.000 0.817 331 A CB 0.425 19.132 19.000 -0.489 0.000 1.189 331 A HN 0.570 nan 8.150 nan 0.000 0.489 332 W N 1.713 122.805 121.300 -0.347 0.000 2.390 332 W HA 0.530 5.190 4.660 0.001 0.000 0.312 332 W C -0.184 176.097 176.519 -0.398 0.000 1.123 332 W CA -0.200 56.958 57.345 -0.312 0.000 1.202 332 W CB 0.797 30.196 29.460 -0.101 0.000 1.251 332 W HN 0.540 nan 8.180 nan 0.000 0.511 333 H N 3.526 122.562 119.070 -0.057 0.000 2.511 333 H HA 0.296 4.852 4.556 0.001 0.000 0.328 333 H C -2.181 173.017 175.328 -0.216 0.000 1.044 333 H CA -2.540 53.345 56.048 -0.271 0.000 1.212 333 H CB 1.302 30.771 29.762 -0.489 0.000 1.428 333 H HN 0.084 nan 8.280 nan 0.000 0.483 334 P HA 0.161 nan 4.420 nan 0.000 0.275 334 P C 0.077 177.352 177.300 -0.043 0.000 1.227 334 P CA -0.511 62.537 63.100 -0.087 0.000 0.781 334 P CB 1.295 32.816 31.700 -0.300 0.000 0.906 335 R N 1.931 122.430 120.500 -0.002 0.000 2.701 335 R HA 0.456 4.796 4.340 0.001 0.000 0.281 335 R C 0.621 176.813 176.300 -0.180 0.000 1.367 335 R CA -0.197 55.863 56.100 -0.065 0.000 1.510 335 R CB 0.217 30.487 30.300 -0.050 0.000 1.306 335 R HN 0.941 nan 8.270 nan 0.000 0.682 336 G N 2.083 110.594 108.800 -0.481 0.000 2.796 336 G HA2 -0.221 3.739 3.960 0.001 0.000 0.571 336 G HA3 -0.221 3.739 3.960 0.001 0.000 0.571 336 G C -1.861 172.569 174.900 -0.782 0.000 1.370 336 G CA -0.542 43.878 45.100 -1.133 0.000 0.856 336 G HN 0.116 nan 8.290 nan 0.000 0.538 337 P HA -0.011 nan 4.420 nan 0.000 0.223 337 P C 0.902 178.205 177.300 0.005 0.000 1.151 337 P CA 1.225 64.274 63.100 -0.086 0.000 0.787 337 P CB 0.070 31.770 31.700 0.001 0.000 0.788 338 N N -0.428 118.252 118.700 -0.034 0.000 2.203 338 N HA 0.086 4.826 4.740 0.001 0.000 0.207 338 N C 0.235 175.767 175.510 0.037 0.000 1.130 338 N CA 0.237 53.303 53.050 0.026 0.000 0.861 338 N CB 1.255 39.753 38.487 0.017 0.000 1.005 338 N HN 0.363 nan 8.380 nan 0.000 0.507 339 E N 0.741 120.956 120.200 0.024 0.000 2.392 339 E HA 0.466 4.816 4.350 0.001 0.000 0.279 339 E C -1.390 175.250 176.600 0.066 0.000 0.964 339 E CA -0.659 55.769 56.400 0.047 0.000 0.777 339 E CB 2.144 31.858 29.700 0.023 0.000 1.249 339 E HN 0.076 nan 8.360 nan 0.000 0.449 340 I N -1.450 119.172 120.570 0.086 0.000 3.174 340 I HA 0.607 4.777 4.170 0.001 0.000 0.313 340 I C -0.934 175.231 176.117 0.080 0.000 1.155 340 I CA -0.944 60.412 61.300 0.093 0.000 0.977 340 I CB 2.291 40.372 38.000 0.135 0.000 1.248 340 I HN 0.376 nan 8.210 nan 0.000 0.453 341 E N 1.795 122.043 120.200 0.080 0.000 2.191 341 E HA 0.583 4.934 4.350 0.001 0.000 0.274 341 E C -1.342 175.293 176.600 0.058 0.000 0.948 341 E CA -1.020 55.446 56.400 0.111 0.000 0.802 341 E CB 2.907 32.763 29.700 0.261 0.000 1.137 341 E HN 0.422 nan 8.360 nan 0.000 0.397 342 V N 2.569 122.414 119.914 -0.114 0.000 2.398 342 V HA 0.253 4.373 4.120 0.001 0.000 0.286 342 V C -1.057 175.056 176.094 0.032 0.000 1.026 342 V CA -0.773 61.355 62.300 -0.288 0.000 0.868 342 V CB 0.469 31.694 31.823 -0.997 0.000 0.982 342 V HN 0.619 nan 8.190 nan 0.000 0.443 343 W N 3.663 124.786 121.300 -0.295 0.000 2.338 343 W HA 0.784 5.444 4.660 0.001 0.000 0.315 343 W C 0.116 176.619 176.519 -0.027 0.000 1.005 343 W CA -0.823 56.488 57.345 -0.057 0.000 1.380 343 W CB 1.527 30.998 29.460 0.018 0.000 1.235 343 W HN 0.671 nan 8.180 nan 0.000 0.409 344 A N 4.526 127.516 122.820 0.282 0.000 2.356 344 A HA 0.990 5.310 4.320 0.001 0.000 0.323 344 A C -1.297 176.490 177.584 0.338 0.000 1.119 344 A CA -0.518 51.649 52.037 0.217 0.000 0.790 344 A CB 1.299 20.471 19.000 0.287 0.000 1.273 344 A HN 0.584 nan 8.150 nan 0.000 0.452 345 F N -1.425 118.580 119.950 0.091 0.000 2.711 345 F HA 0.804 5.332 4.527 0.001 0.000 0.313 345 F C -0.518 175.319 175.800 0.060 0.000 1.141 345 F CA -0.760 57.280 58.000 0.067 0.000 0.941 345 F CB 1.271 40.294 39.000 0.037 0.000 1.349 345 F HN 0.378 nan 8.300 nan 0.000 0.464 346 T N 2.037 116.699 114.554 0.179 0.000 2.823 346 T HA 0.635 4.985 4.350 0.001 0.000 0.279 346 T C -0.711 174.036 174.700 0.078 0.000 0.998 346 T CA -0.592 61.542 62.100 0.056 0.000 0.994 346 T CB 1.589 70.512 68.868 0.092 0.000 0.960 346 T HN 0.871 nan 8.240 nan 0.000 0.448 347 V N 1.317 121.208 119.914 -0.038 0.000 2.667 347 V HA 0.986 5.107 4.120 0.001 0.000 0.308 347 V C -0.236 175.740 176.094 -0.196 0.000 1.048 347 V CA -0.950 61.309 62.300 -0.068 0.000 0.928 347 V CB 1.328 33.139 31.823 -0.019 0.000 1.004 347 V HN 0.780 nan 8.190 nan 0.000 0.444 348 V N -0.600 119.194 119.914 -0.200 0.000 3.040 348 V HA 0.634 4.754 4.120 0.001 0.000 0.312 348 V C -0.605 175.409 176.094 -0.133 0.000 1.115 348 V CA -0.762 61.373 62.300 -0.276 0.000 0.998 348 V CB 1.825 33.495 31.823 -0.254 0.000 1.042 348 V HN 0.870 nan 8.190 nan 0.000 0.433 349 D N 2.038 122.394 120.400 -0.073 0.000 2.493 349 D HA 0.262 4.903 4.640 0.001 0.000 0.240 349 D C 1.201 177.501 176.300 0.000 0.000 1.142 349 D CA 0.875 54.890 54.000 0.025 0.000 0.872 349 D CB 1.832 42.722 40.800 0.150 0.000 1.173 349 D HN 0.947 nan 8.370 nan 0.000 0.467 350 A N 3.131 125.952 122.820 0.003 0.000 2.067 350 A HA -0.189 4.132 4.320 0.001 0.000 0.219 350 A C 1.336 178.925 177.584 0.008 0.000 1.158 350 A CA 1.241 53.274 52.037 -0.007 0.000 0.661 350 A CB -0.047 18.952 19.000 -0.002 0.000 0.801 350 A HN 0.574 nan 8.150 nan 0.000 0.452 351 D N -0.558 119.861 120.400 0.031 0.000 2.363 351 D HA 0.390 5.031 4.640 0.001 0.000 0.214 351 D C 0.623 176.966 176.300 0.072 0.000 1.093 351 D CA 0.341 54.367 54.000 0.043 0.000 0.837 351 D CB -0.634 40.192 40.800 0.042 0.000 0.948 351 D HN 0.331 nan 8.370 nan 0.000 0.507 352 A N 1.456 124.323 122.820 0.078 0.000 2.520 352 A HA 0.371 4.692 4.320 0.001 0.000 0.235 352 A C -2.109 175.490 177.584 0.025 0.000 1.065 352 A CA -0.790 51.289 52.037 0.069 0.000 0.764 352 A CB -0.303 18.649 19.000 -0.080 0.000 1.002 352 A HN 0.081 nan 8.150 nan 0.000 0.502 353 P HA 0.030 nan 4.420 nan 0.000 0.268 353 P C 0.687 177.984 177.300 -0.006 0.000 1.208 353 P CA -0.147 62.966 63.100 0.021 0.000 0.777 353 P CB 0.453 32.174 31.700 0.036 0.000 0.875 354 E N 1.643 121.843 120.200 -0.000 0.000 2.130 354 E HA -0.217 4.134 4.350 0.001 0.000 0.196 354 E C 1.395 177.991 176.600 -0.007 0.000 0.998 354 E CA 1.647 58.044 56.400 -0.005 0.000 0.806 354 E CB -0.209 29.491 29.700 -0.001 0.000 0.738 354 E HN 0.530 nan 8.360 nan 0.000 0.459 355 E N -0.030 120.166 120.200 -0.006 0.000 2.152 355 E HA -0.106 4.244 4.350 0.001 0.000 0.192 355 E C 1.810 178.399 176.600 -0.019 0.000 0.983 355 E CA 0.641 57.036 56.400 -0.007 0.000 0.818 355 E CB -0.179 29.521 29.700 -0.001 0.000 0.758 355 E HN 0.092 nan 8.360 nan 0.000 0.467 356 M N 0.729 120.304 119.600 -0.041 0.000 2.200 356 M HA -0.052 4.429 4.480 0.001 0.000 0.265 356 M C 1.396 177.703 176.300 0.012 0.000 1.066 356 M CA 1.637 56.889 55.300 -0.080 0.000 1.127 356 M CB 0.097 32.545 32.600 -0.254 0.000 1.379 356 M HN -0.142 nan 8.290 nan 0.000 0.420 357 K N -0.534 119.865 120.400 -0.002 0.000 2.057 357 K HA -0.209 4.112 4.320 0.001 0.000 0.207 357 K C 1.990 178.622 176.600 0.053 0.000 1.049 357 K CA 1.651 57.954 56.287 0.026 0.000 0.931 357 K CB -0.267 32.225 32.500 -0.013 0.000 0.714 357 K HN 0.315 nan 8.250 nan 0.000 0.440 358 E N 1.564 121.778 120.200 0.023 0.000 2.072 358 E HA -0.222 4.128 4.350 0.001 0.000 0.191 358 E C 1.835 178.445 176.600 0.017 0.000 0.985 358 E CA 1.520 57.931 56.400 0.018 0.000 0.801 358 E CB -0.023 29.679 29.700 0.003 0.000 0.750 358 E HN 0.193 nan 8.360 nan 0.000 0.452 359 E N -0.865 119.334 120.200 -0.002 0.000 2.077 359 E HA -0.189 4.161 4.350 0.001 0.000 0.193 359 E C 1.781 178.345 176.600 -0.060 0.000 0.989 359 E CA 1.372 57.743 56.400 -0.048 0.000 0.800 359 E CB -0.500 29.142 29.700 -0.096 0.000 0.746 359 E HN 0.482 nan 8.360 nan 0.000 0.452 360 Y N 0.156 120.422 120.300 -0.057 0.000 2.224 360 Y HA -0.129 4.422 4.550 0.001 0.000 0.289 360 Y C 2.590 178.479 175.900 -0.019 0.000 1.146 360 Y CA 1.810 59.883 58.100 -0.046 0.000 1.182 360 Y CB -0.071 38.352 38.460 -0.062 0.000 0.983 360 Y HN -0.004 nan 8.280 nan 0.000 0.524 361 R N 0.241 120.825 120.500 0.141 0.000 2.080 361 R HA -0.230 4.111 4.340 0.001 0.000 0.236 361 R C 2.144 178.479 176.300 0.059 0.000 1.137 361 R CA 2.083 58.236 56.100 0.087 0.000 0.943 361 R CB -0.257 30.075 30.300 0.054 0.000 0.846 361 R HN 0.418 nan 8.270 nan 0.000 0.431 362 Q N -0.627 119.192 119.800 0.032 0.000 2.079 362 Q HA -0.149 4.192 4.340 0.001 0.000 0.200 362 Q C 2.221 178.228 176.000 0.012 0.000 0.974 362 Q CA 1.116 56.927 55.803 0.013 0.000 0.840 362 Q CB 0.129 28.866 28.738 -0.002 0.000 0.898 362 Q HN 0.385 nan 8.270 nan 0.000 0.430 363 Q N -0.443 119.355 119.800 -0.003 0.000 2.123 363 Q HA -0.100 4.240 4.340 0.001 0.000 0.199 363 Q C 2.252 178.276 176.000 0.039 0.000 0.966 363 Q CA 1.845 57.641 55.803 -0.011 0.000 0.845 363 Q CB -0.399 28.287 28.738 -0.086 0.000 0.907 363 Q HN 0.551 nan 8.270 nan 0.000 0.439 364 T N 0.128 114.728 114.554 0.077 0.000 2.737 364 T HA -0.147 4.204 4.350 0.001 0.000 0.265 364 T C 2.013 176.788 174.700 0.126 0.000 1.038 364 T CA 1.439 63.623 62.100 0.140 0.000 1.144 364 T CB -0.615 68.351 68.868 0.163 0.000 0.866 364 T HN 0.281 nan 8.240 nan 0.000 0.434 365 L N 0.283 121.553 121.223 0.080 0.000 2.201 365 L HA 0.283 4.623 4.340 0.001 0.000 0.212 365 L C 2.582 179.460 176.870 0.014 0.000 1.105 365 L CA 1.389 56.255 54.840 0.044 0.000 0.775 365 L CB -0.969 41.105 42.059 0.025 0.000 0.913 365 L HN 0.072 nan 8.230 nan 0.000 0.440 366 R N 0.052 120.564 120.500 0.020 0.000 2.152 366 R HA -0.113 4.227 4.340 0.001 0.000 0.232 366 R C 1.756 178.062 176.300 0.010 0.000 1.117 366 R CA 1.863 57.967 56.100 0.006 0.000 0.981 366 R CB -0.153 30.154 30.300 0.013 0.000 0.870 366 R HN 0.788 nan 8.270 nan 0.000 0.451 367 T N -3.691 110.882 114.554 0.032 0.000 3.182 367 T HA 0.152 4.502 4.350 0.001 0.000 0.244 367 T C 0.573 175.117 174.700 -0.259 0.000 0.981 367 T CA -0.252 61.833 62.100 -0.025 0.000 1.182 367 T CB 0.028 68.910 68.868 0.025 0.000 1.043 367 T HN 0.002 nan 8.240 nan 0.000 0.424 368 F N 3.560 123.567 119.950 0.096 0.000 2.366 368 F HA 0.691 5.219 4.527 0.001 0.000 0.328 368 F C 0.498 176.399 175.800 0.168 0.000 1.180 368 F CA -0.603 57.497 58.000 0.166 0.000 1.232 368 F CB 0.700 39.804 39.000 0.174 0.000 1.513 368 F HN 0.446 nan 8.300 nan 0.000 0.540 369 S N -0.502 115.261 115.700 0.105 0.000 2.643 369 S HA 0.735 5.206 4.470 0.001 0.000 0.270 369 S C 0.685 174.984 174.600 -0.503 0.000 1.166 369 S CA -0.353 57.762 58.200 -0.141 0.000 0.815 369 S CB 1.122 64.255 63.200 -0.112 0.000 1.139 369 S HN 0.246 nan 8.310 nan 0.000 0.472 370 A N 0.762 122.898 122.820 -1.140 0.000 1.917 370 A HA 0.154 4.474 4.320 0.001 0.000 0.219 370 A C 1.876 179.159 177.584 -0.502 0.000 1.182 370 A CA 2.125 53.423 52.037 -1.232 0.000 0.633 370 A CB -1.575 16.644 19.000 -1.303 0.000 0.819 370 A HN 1.596 nan 8.150 nan 0.000 0.448 371 G N -1.046 107.545 108.800 -0.350 0.000 3.088 371 G HA2 0.415 4.376 3.960 0.001 0.000 0.217 371 G HA3 0.415 4.376 3.960 0.001 0.000 0.217 371 G C 0.712 175.521 174.900 -0.152 0.000 1.159 371 G CA 0.505 45.483 45.100 -0.203 0.000 0.760 371 G HN 0.766 nan 8.290 nan 0.000 0.550 372 G N 0.103 108.808 108.800 -0.157 0.000 2.554 372 G HA2 0.305 4.265 3.960 0.001 0.000 0.238 372 G HA3 0.305 4.265 3.960 0.001 0.000 0.238 372 G C 1.293 176.122 174.900 -0.118 0.000 1.259 372 G CA 0.304 45.337 45.100 -0.112 0.000 0.843 372 G HN 0.587 nan 8.290 nan 0.000 0.582 373 V N -0.499 119.355 119.914 -0.099 0.000 3.141 373 V HA 0.073 4.194 4.120 0.001 0.000 0.265 373 V C 1.787 177.700 176.094 -0.301 0.000 1.126 373 V CA 1.186 63.388 62.300 -0.163 0.000 1.141 373 V CB -0.922 30.810 31.823 -0.152 0.000 0.743 373 V HN 0.513 nan 8.190 nan 0.000 0.492 374 F N 1.016 120.736 119.950 -0.382 0.000 2.289 374 F HA 0.252 4.780 4.527 0.001 0.000 0.280 374 F C 2.515 178.167 175.800 -0.247 0.000 1.045 374 F CA 1.469 59.164 58.000 -0.508 0.000 1.236 374 F CB -0.448 37.783 39.000 -1.282 0.000 1.116 374 F HN 0.073 nan 8.300 nan 0.000 0.550 375 E N 0.112 120.222 120.200 -0.151 0.000 2.204 375 E HA -0.214 4.136 4.350 0.001 0.000 0.194 375 E C 2.032 178.665 176.600 0.056 0.000 0.989 375 E CA 0.732 57.182 56.400 0.084 0.000 0.824 375 E CB -0.043 29.805 29.700 0.245 0.000 0.756 375 E HN 0.397 nan 8.360 nan 0.000 0.477 376 Q N 0.238 120.017 119.800 -0.034 0.000 2.142 376 Q HA -0.256 4.085 4.340 0.001 0.000 0.213 376 Q C 1.467 177.433 176.000 -0.058 0.000 1.004 376 Q CA 2.081 57.850 55.803 -0.058 0.000 0.883 376 Q CB -0.020 28.664 28.738 -0.090 0.000 0.939 376 Q HN 0.365 nan 8.270 nan 0.000 0.413 377 D N -0.245 120.119 120.400 -0.060 0.000 2.194 377 D HA -0.097 4.544 4.640 0.001 0.000 0.204 377 D C 1.331 177.512 176.300 -0.199 0.000 0.964 377 D CA 0.722 54.653 54.000 -0.116 0.000 0.846 377 D CB -0.223 40.495 40.800 -0.136 0.000 0.962 377 D HN 0.258 nan 8.370 nan 0.000 0.490 378 D N 0.711 120.998 120.400 -0.188 0.000 2.097 378 D HA -0.117 4.524 4.640 0.001 0.000 0.195 378 D C 2.156 177.924 176.300 -0.885 0.000 0.989 378 D CA 1.346 55.007 54.000 -0.565 0.000 0.827 378 D CB -0.362 40.144 40.800 -0.489 0.000 0.966 378 D HN 0.251 nan 8.370 nan 0.000 0.456 379 G N 0.893 109.433 108.800 -0.433 0.000 2.450 379 G HA2 -0.298 3.662 3.960 0.001 0.000 0.220 379 G HA3 -0.298 3.662 3.960 0.001 0.000 0.220 379 G C 1.568 176.416 174.900 -0.086 0.000 1.130 379 G CA 1.051 46.062 45.100 -0.148 0.000 0.760 379 G HN 0.276 nan 8.290 nan 0.000 0.557 380 E N 1.075 121.199 120.200 -0.127 0.000 2.072 380 E HA -0.070 4.280 4.350 0.001 0.000 0.191 380 E C 2.179 178.706 176.600 -0.121 0.000 0.985 380 E CA 1.514 57.859 56.400 -0.091 0.000 0.801 380 E CB -0.474 29.170 29.700 -0.093 0.000 0.750 380 E HN 0.602 nan 8.360 nan 0.000 0.452 381 N N -0.628 117.944 118.700 -0.214 0.000 2.084 381 N HA -0.155 4.586 4.740 0.001 0.000 0.190 381 N C 1.356 176.800 175.510 -0.111 0.000 1.030 381 N CA 1.333 54.264 53.050 -0.199 0.000 0.849 381 N CB -0.259 38.071 38.487 -0.262 0.000 1.012 381 N HN 0.267 nan 8.380 nan 0.000 0.423 382 W N 1.039 122.223 121.300 -0.194 0.000 2.363 382 W HA 0.012 4.673 4.660 0.001 0.000 0.296 382 W C 2.101 178.475 176.519 -0.241 0.000 1.212 382 W CA 0.156 57.322 57.345 -0.298 0.000 1.260 382 W CB -1.204 28.153 29.460 -0.172 0.000 1.131 382 W HN -0.087 nan 8.180 nan 0.000 0.530 383 V N 0.662 120.638 119.914 0.102 0.000 2.343 383 V HA -0.249 3.872 4.120 0.001 0.000 0.247 383 V C 2.380 178.471 176.094 -0.006 0.000 1.051 383 V CA 1.902 64.237 62.300 0.057 0.000 1.036 383 V CB -0.523 31.338 31.823 0.064 0.000 0.654 383 V HN 0.049 nan 8.190 nan 0.000 0.451 384 E N -0.259 119.916 120.200 -0.043 0.000 2.107 384 E HA -0.103 4.248 4.350 0.001 0.000 0.191 384 E C 2.179 178.723 176.600 -0.093 0.000 0.982 384 E CA 1.050 57.414 56.400 -0.060 0.000 0.809 384 E CB -0.163 29.495 29.700 -0.070 0.000 0.756 384 E HN 0.575 nan 8.360 nan 0.000 0.459 385 I N 0.993 121.457 120.570 -0.177 0.000 2.163 385 I HA -0.330 3.840 4.170 0.001 0.000 0.243 385 I C 2.711 178.741 176.117 -0.145 0.000 1.085 385 I CA 1.303 62.443 61.300 -0.266 0.000 1.347 385 I CB -0.229 37.385 38.000 -0.644 0.000 1.044 385 I HN 0.074 nan 8.210 nan 0.000 0.408 386 Q N 0.619 120.351 119.800 -0.113 0.000 2.084 386 Q HA -0.274 4.066 4.340 0.001 0.000 0.202 386 Q C 2.111 178.134 176.000 0.039 0.000 0.978 386 Q CA 1.766 57.583 55.803 0.023 0.000 0.844 386 Q CB -0.184 28.589 28.738 0.059 0.000 0.898 386 Q HN 0.336 nan 8.270 nan 0.000 0.426 387 Q N -0.762 119.048 119.800 0.017 0.000 2.084 387 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 387 Q C 1.907 177.923 176.000 0.027 0.000 0.978 387 Q CA 1.653 57.470 55.803 0.024 0.000 0.844 387 Q CB -0.378 28.368 28.738 0.014 0.000 0.898 387 Q HN 0.320 nan 8.270 nan 0.000 0.426 388 V N 0.520 120.444 119.914 0.017 0.000 2.392 388 V HA -0.247 3.873 4.120 0.001 0.000 0.249 388 V C 2.109 178.236 176.094 0.055 0.000 1.059 388 V CA 1.585 63.902 62.300 0.029 0.000 1.051 388 V CB -0.532 31.302 31.823 0.018 0.000 0.658 388 V HN 0.399 nan 8.190 nan 0.000 0.455 389 L N -0.612 120.655 121.223 0.072 0.000 2.551 389 L HA -0.041 4.299 4.340 0.001 0.000 0.228 389 L C 2.587 179.503 176.870 0.077 0.000 1.153 389 L CA 0.467 55.363 54.840 0.092 0.000 0.851 389 L CB -0.528 41.614 42.059 0.139 0.000 0.959 389 L HN 0.255 nan 8.230 nan 0.000 0.451 390 R N 0.644 121.184 120.500 0.066 0.000 2.159 390 R HA -0.057 4.283 4.340 0.001 0.000 0.237 390 R C 1.101 177.443 176.300 0.070 0.000 1.131 390 R CA 0.743 56.881 56.100 0.063 0.000 0.982 390 R CB -0.775 29.556 30.300 0.051 0.000 0.868 390 R HN 0.305 nan 8.270 nan 0.000 0.453 391 G N -0.299 108.541 108.800 0.067 0.000 2.403 391 G HA2 -0.036 3.925 3.960 0.001 0.000 0.259 391 G HA3 -0.036 3.925 3.960 0.001 0.000 0.259 391 G C 0.731 175.689 174.900 0.096 0.000 1.244 391 G CA -0.369 44.779 45.100 0.079 0.000 0.849 391 G HN 0.266 nan 8.290 nan 0.000 0.532 392 H N 2.034 121.118 119.070 0.023 0.000 2.290 392 H HA -0.080 4.476 4.556 0.001 0.000 0.298 392 H C 1.823 177.159 175.328 0.013 0.000 1.087 392 H CA 1.719 57.778 56.048 0.018 0.000 1.291 392 H CB 0.336 30.107 29.762 0.014 0.000 1.369 392 H HN 0.385 nan 8.280 nan 0.000 0.492 393 K N 0.597 121.019 120.400 0.038 0.000 2.147 393 K HA -0.034 4.287 4.320 0.001 0.000 0.205 393 K C 2.246 178.815 176.600 -0.051 0.000 1.049 393 K CA 0.853 57.121 56.287 -0.032 0.000 0.936 393 K CB -0.525 32.003 32.500 0.048 0.000 0.722 393 K HN 0.364 nan 8.250 nan 0.000 0.446 394 A N 1.202 124.017 122.820 -0.009 0.000 2.070 394 A HA -0.133 4.188 4.320 0.001 0.000 0.220 394 A C 1.920 179.476 177.584 -0.047 0.000 1.159 394 A CA 1.180 53.222 52.037 0.009 0.000 0.656 394 A CB -0.232 18.798 19.000 0.050 0.000 0.800 394 A HN 0.237 nan 8.150 nan 0.000 0.453 395 R N -0.381 120.061 120.500 -0.097 0.000 2.362 395 R HA 0.057 4.397 4.340 0.001 0.000 0.227 395 R C 1.648 177.831 176.300 -0.194 0.000 0.905 395 R CA 0.702 56.718 56.100 -0.141 0.000 1.067 395 R CB 0.145 30.394 30.300 -0.085 0.000 1.078 395 R HN 0.626 nan 8.270 nan 0.000 0.516 396 S N -0.384 115.191 115.700 -0.208 0.000 2.535 396 S HA 0.197 4.668 4.470 0.001 0.000 0.214 396 S C 0.669 175.186 174.600 -0.137 0.000 0.980 396 S CA -0.353 57.723 58.200 -0.206 0.000 0.907 396 S CB 0.435 63.489 63.200 -0.244 0.000 0.790 396 S HN 0.055 nan 8.310 nan 0.000 0.510 397 R N 1.478 121.895 120.500 -0.139 0.000 2.725 397 R HA 0.514 4.855 4.340 0.001 0.000 0.277 397 R C -3.149 173.050 176.300 -0.169 0.000 0.987 397 R CA -2.205 53.829 56.100 -0.110 0.000 0.901 397 R CB 1.422 31.689 30.300 -0.054 0.000 1.207 397 R HN 0.177 nan 8.270 nan 0.000 0.463 398 P HA 0.072 nan 4.420 nan 0.000 0.271 398 P C -0.588 176.682 177.300 -0.049 0.000 1.218 398 P CA 0.103 63.104 63.100 -0.165 0.000 0.780 398 P CB 0.484 32.127 31.700 -0.093 0.000 0.901 399 F N 0.839 120.764 119.950 -0.043 0.000 2.418 399 F HA 0.111 4.639 4.527 0.001 0.000 0.341 399 F C 1.725 177.499 175.800 -0.043 0.000 1.120 399 F CA -0.758 57.223 58.000 -0.031 0.000 1.232 399 F CB 0.462 39.453 39.000 -0.015 0.000 1.175 399 F HN 0.289 nan 8.300 nan 0.000 0.569 400 N N 2.212 121.023 118.700 0.185 0.000 2.401 400 N HA 0.212 4.953 4.740 0.001 0.000 0.255 400 N C -0.574 174.969 175.510 0.054 0.000 1.110 400 N CA 0.096 53.194 53.050 0.081 0.000 0.949 400 N CB 1.241 39.761 38.487 0.055 0.000 1.110 400 N HN 0.722 nan 8.380 nan 0.000 0.490 401 A N 3.586 126.423 122.820 0.029 0.000 2.855 401 A HA 0.128 4.448 4.320 0.001 0.000 0.301 401 A C 0.941 178.526 177.584 0.002 0.000 1.076 401 A CA -0.537 51.509 52.037 0.015 0.000 1.004 401 A CB -0.215 18.784 19.000 -0.002 0.000 1.152 401 A HN 0.814 nan 8.150 nan 0.000 0.531 402 E N -0.483 119.715 120.200 -0.003 0.000 2.472 402 E HA 0.156 4.507 4.350 0.001 0.000 0.196 402 E C 0.710 177.298 176.600 -0.019 0.000 1.033 402 E CA -0.403 55.992 56.400 -0.009 0.000 0.886 402 E CB -0.097 29.601 29.700 -0.005 0.000 0.944 402 E HN 0.570 nan 8.360 nan 0.000 0.492 403 M N 1.874 121.451 119.600 -0.037 0.000 2.408 403 M HA 0.001 4.482 4.480 0.001 0.000 0.363 403 M C 0.665 176.944 176.300 -0.035 0.000 1.636 403 M CA 1.899 57.159 55.300 -0.068 0.000 1.029 403 M CB -0.072 32.442 32.600 -0.144 0.000 2.068 403 M HN 0.508 nan 8.290 nan 0.000 0.466 404 G N 4.235 113.025 108.800 -0.016 0.000 2.162 404 G HA2 -0.260 3.700 3.960 0.001 0.000 0.260 404 G HA3 -0.260 3.700 3.960 0.001 0.000 0.260 404 G C 0.079 174.981 174.900 0.003 0.000 0.976 404 G CA -0.075 45.031 45.100 0.009 0.000 0.655 404 G HN 0.686 nan 8.290 nan 0.000 0.533 405 L N 0.159 121.379 121.223 -0.004 0.000 2.640 405 L HA 0.299 4.640 4.340 0.001 0.000 0.280 405 L C 1.927 178.797 176.870 -0.001 0.000 1.229 405 L CA 1.740 56.578 54.840 -0.004 0.000 0.919 405 L CB 0.269 42.325 42.059 -0.005 0.000 1.168 405 L HN 1.215 nan 8.230 nan 0.000 0.496 406 G N 2.672 111.472 108.800 -0.001 0.000 2.220 406 G HA2 -0.328 3.633 3.960 0.001 0.000 0.269 406 G HA3 -0.328 3.633 3.960 0.001 0.000 0.269 406 G C 0.502 175.404 174.900 0.004 0.000 0.977 406 G CA 0.242 45.343 45.100 0.001 0.000 0.634 406 G HN 0.678 nan 8.290 nan 0.000 0.539 407 Q N 1.678 121.482 119.800 0.007 0.000 3.150 407 Q HA 0.400 4.741 4.340 0.001 0.000 0.297 407 Q C 0.388 176.398 176.000 0.018 0.000 1.382 407 Q CA 0.600 56.410 55.803 0.012 0.000 1.059 407 Q CB 0.219 28.967 28.738 0.016 0.000 1.559 407 Q HN 0.631 nan 8.270 nan 0.000 0.548 408 T N -2.942 111.621 114.554 0.014 0.000 2.916 408 T HA 0.503 4.854 4.350 0.001 0.000 0.292 408 T C -0.941 173.772 174.700 0.023 0.000 1.055 408 T CA -0.919 61.190 62.100 0.015 0.000 1.009 408 T CB 2.400 71.271 68.868 0.005 0.000 1.118 408 T HN 0.058 nan 8.240 nan 0.000 0.497 409 D N 0.411 120.829 120.400 0.031 0.000 2.479 409 D HA 0.308 4.948 4.640 0.001 0.000 0.246 409 D C 0.608 176.939 176.300 0.050 0.000 1.336 409 D CA -0.523 53.501 54.000 0.041 0.000 0.967 409 D CB 1.575 42.406 40.800 0.052 0.000 1.275 409 D HN 0.572 nan 8.370 nan 0.000 0.577 410 S N 2.168 117.894 115.700 0.043 0.000 2.634 410 S HA 0.103 4.574 4.470 0.001 0.000 0.221 410 S C 0.485 175.117 174.600 0.054 0.000 0.952 410 S CA -0.343 57.887 58.200 0.050 0.000 0.930 410 S CB 0.128 63.351 63.200 0.038 0.000 0.780 410 S HN 0.307 nan 8.310 nan 0.000 0.498 411 D N 1.615 122.046 120.400 0.053 0.000 2.908 411 D HA 0.189 4.830 4.640 0.001 0.000 0.361 411 D C -0.663 175.671 176.300 0.055 0.000 1.416 411 D CA -0.392 53.636 54.000 0.047 0.000 0.796 411 D CB -0.154 40.668 40.800 0.036 0.000 1.185 411 D HN 0.264 nan 8.370 nan 0.000 0.451 412 N N 1.313 120.059 118.700 0.077 0.000 2.488 412 N HA 0.100 4.840 4.740 0.001 0.000 0.274 412 N C -1.388 174.165 175.510 0.072 0.000 1.111 412 N CA -1.150 51.960 53.050 0.099 0.000 0.974 412 N CB 1.788 40.372 38.487 0.162 0.000 1.089 412 N HN 0.077 nan 8.380 nan 0.000 0.465 413 P HA -0.022 nan 4.420 nan 0.000 0.219 413 P C 0.055 177.339 177.300 -0.027 0.000 1.150 413 P CA 1.136 64.247 63.100 0.018 0.000 0.814 413 P CB 0.518 32.231 31.700 0.023 0.000 0.787 414 D N -2.168 118.206 120.400 -0.044 0.000 2.367 414 D HA 0.042 4.683 4.640 0.001 0.000 0.207 414 D C -0.044 175.939 176.300 -0.528 0.000 1.034 414 D CA 0.538 54.389 54.000 -0.249 0.000 0.861 414 D CB 0.168 40.787 40.800 -0.301 0.000 0.943 414 D HN 0.300 nan 8.370 nan 0.000 0.515 415 Y N 1.037 121.311 120.300 -0.044 0.000 2.322 415 Y HA 0.264 4.814 4.550 0.000 0.000 0.324 415 Y C -2.252 173.547 175.900 -0.168 0.000 1.027 415 Y CA -2.140 55.854 58.100 -0.178 0.000 1.179 415 Y CB 2.395 40.938 38.460 0.139 0.000 1.136 415 Y HN -0.196 nan 8.280 nan 0.000 0.449 416 P HA 0.437 nan 4.420 nan 0.000 0.274 416 P C 0.487 177.923 177.300 0.226 0.000 1.231 416 P CA 0.508 63.572 63.100 -0.060 0.000 0.790 416 P CB 1.721 33.301 31.700 -0.201 0.000 0.951 417 G N 1.018 109.961 108.800 0.239 0.000 2.512 417 G HA2 -0.118 3.842 3.960 0.001 0.000 0.210 417 G HA3 -0.118 3.842 3.960 0.001 0.000 0.210 417 G C -0.960 174.045 174.900 0.174 0.000 1.295 417 G CA -0.579 44.706 45.100 0.307 0.000 0.934 417 G HN 0.596 nan 8.290 nan 0.000 0.554 418 T N 1.972 116.576 114.554 0.084 0.000 2.762 418 T HA 0.542 4.893 4.350 0.001 0.000 0.303 418 T C 0.459 175.168 174.700 0.015 0.000 0.977 418 T CA -0.248 61.866 62.100 0.023 0.000 0.961 418 T CB 0.370 69.216 68.868 -0.037 0.000 0.944 418 T HN 0.527 nan 8.240 nan 0.000 0.481 419 I N 2.850 123.451 120.570 0.051 0.000 2.385 419 I HA 0.505 4.675 4.170 0.001 0.000 0.294 419 I C 0.690 176.811 176.117 0.007 0.000 0.988 419 I CA -0.393 60.929 61.300 0.038 0.000 1.265 419 I CB 1.347 39.398 38.000 0.085 0.000 1.388 419 I HN 0.504 nan 8.210 nan 0.000 0.480 420 S N 4.021 119.706 115.700 -0.026 0.000 2.697 420 S HA 0.446 4.916 4.470 0.001 0.000 0.289 420 S C -0.725 173.884 174.600 0.015 0.000 1.149 420 S CA -0.580 57.622 58.200 0.003 0.000 0.850 420 S CB 1.821 65.014 63.200 -0.012 0.000 1.151 420 S HN 0.502 nan 8.310 nan 0.000 0.491 421 Y N 0.782 121.038 120.300 -0.074 0.000 2.652 421 Y HA 0.042 4.592 4.550 0.001 0.000 0.344 421 Y C 1.591 177.408 175.900 -0.139 0.000 1.254 421 Y CA 0.350 58.394 58.100 -0.093 0.000 1.480 421 Y CB 0.476 38.913 38.460 -0.039 0.000 1.345 421 Y HN 0.387 nan 8.280 nan 0.000 0.617 422 V N 6.216 125.626 119.914 -0.841 0.000 2.469 422 V HA -0.260 3.860 4.120 0.001 0.000 0.251 422 V C 0.041 175.795 176.094 -0.565 0.000 1.064 422 V CA 1.496 63.334 62.300 -0.770 0.000 1.066 422 V CB -0.686 30.593 31.823 -0.907 0.000 0.667 422 V HN 0.671 nan 8.190 nan 0.000 0.461 423 Y N 0.743 120.707 120.300 -0.559 0.000 2.595 423 Y HA 0.551 5.101 4.550 0.001 0.000 0.347 423 Y C 0.408 176.259 175.900 -0.082 0.000 1.025 423 Y CA -0.028 57.961 58.100 -0.186 0.000 1.295 423 Y CB 0.789 39.236 38.460 -0.022 0.000 1.147 423 Y HN 0.173 nan 8.280 nan 0.000 0.515 424 S N 1.796 117.527 115.700 0.051 0.000 2.588 424 S HA 0.321 4.791 4.470 0.001 0.000 0.269 424 S C -0.480 174.118 174.600 -0.004 0.000 1.157 424 S CA -0.791 57.415 58.200 0.009 0.000 0.824 424 S CB 1.537 64.746 63.200 0.015 0.000 1.126 424 S HN 0.705 nan 8.310 nan 0.000 0.464 425 E N 0.787 120.979 120.200 -0.013 0.000 2.569 425 E HA 0.147 4.498 4.350 0.001 0.000 0.205 425 E C 0.523 177.128 176.600 0.007 0.000 1.006 425 E CA -0.119 56.287 56.400 0.011 0.000 0.985 425 E CB 0.635 30.345 29.700 0.017 0.000 1.060 425 E HN 0.568 nan 8.360 nan 0.000 0.460 426 E N 1.309 121.501 120.200 -0.014 0.000 2.077 426 E HA -0.164 4.186 4.350 0.001 0.000 0.193 426 E C 1.855 178.419 176.600 -0.061 0.000 0.989 426 E CA 1.666 58.045 56.400 -0.035 0.000 0.800 426 E CB -0.048 29.625 29.700 -0.045 0.000 0.746 426 E HN 0.288 nan 8.360 nan 0.000 0.452 427 A N 0.631 123.409 122.820 -0.070 0.000 1.930 427 A HA -0.003 4.317 4.320 0.001 0.000 0.217 427 A C 2.417 179.961 177.584 -0.068 0.000 1.175 427 A CA 1.968 53.941 52.037 -0.106 0.000 0.627 427 A CB -0.935 18.011 19.000 -0.090 0.000 0.815 427 A HN 0.376 nan 8.150 nan 0.000 0.443 428 A N -0.165 122.652 122.820 -0.006 0.000 1.902 428 A HA -0.155 4.165 4.320 0.001 0.000 0.217 428 A C 2.237 179.880 177.584 0.098 0.000 1.181 428 A CA 1.494 53.552 52.037 0.035 0.000 0.623 428 A CB -0.475 18.603 19.000 0.129 0.000 0.818 428 A HN 0.532 nan 8.150 nan 0.000 0.443 429 R N -0.911 119.637 120.500 0.081 0.000 2.091 429 R HA -0.128 4.213 4.340 0.001 0.000 0.238 429 R C 2.376 178.679 176.300 0.006 0.000 1.136 429 R CA 1.190 57.336 56.100 0.076 0.000 0.959 429 R CB -0.651 29.661 30.300 0.020 0.000 0.856 429 R HN 0.550 nan 8.270 nan 0.000 0.437 430 G N 1.248 110.003 108.800 -0.075 0.000 2.418 430 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 430 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 430 G C 1.407 176.169 174.900 -0.231 0.000 1.158 430 G CA 0.479 45.478 45.100 -0.168 0.000 0.771 430 G HN 0.260 nan 8.290 nan 0.000 0.545 431 L N -1.135 119.970 121.223 -0.198 0.000 2.017 431 L HA -0.028 4.312 4.340 0.001 0.000 0.208 431 L C 2.665 179.415 176.870 -0.200 0.000 1.073 431 L CA 1.509 56.217 54.840 -0.219 0.000 0.745 431 L CB -0.209 41.713 42.059 -0.228 0.000 0.894 431 L HN 0.323 nan 8.230 nan 0.000 0.432 432 Y N -0.784 119.482 120.300 -0.057 0.000 2.373 432 Y HA -0.155 4.395 4.550 0.000 0.000 0.293 432 Y C 2.578 178.483 175.900 0.008 0.000 1.129 432 Y CA 1.331 59.399 58.100 -0.054 0.000 1.226 432 Y CB -0.492 37.867 38.460 -0.169 0.000 1.000 432 Y HN 0.154 nan 8.280 nan 0.000 0.549 433 T N -0.457 114.126 114.554 0.047 0.000 2.777 433 T HA -0.242 4.108 4.350 0.001 0.000 0.266 433 T C 1.824 176.428 174.700 -0.159 0.000 1.040 433 T CA 1.583 63.660 62.100 -0.038 0.000 1.141 433 T CB -0.229 68.585 68.868 -0.091 0.000 0.868 433 T HN 0.214 nan 8.240 nan 0.000 0.444 434 Q N -0.096 119.485 119.800 -0.365 0.000 2.124 434 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 434 Q C 1.816 177.570 176.000 -0.410 0.000 0.977 434 Q CA 1.642 57.036 55.803 -0.681 0.000 0.850 434 Q CB -0.551 27.396 28.738 -1.319 0.000 0.901 434 Q HN 0.743 nan 8.270 nan 0.000 0.429 435 W N -0.707 120.436 121.300 -0.262 0.000 2.355 435 W HA -0.190 4.470 4.660 0.000 0.000 0.309 435 W C 1.739 178.218 176.519 -0.068 0.000 1.206 435 W CA 1.826 59.186 57.345 0.026 0.000 1.284 435 W CB -0.383 29.135 29.460 0.096 0.000 1.145 435 W HN -0.006 nan 8.180 nan 0.000 0.502 436 V N 1.509 121.494 119.914 0.118 0.000 2.332 436 V HA -0.334 3.786 4.120 0.001 0.000 0.248 436 V C 2.479 178.437 176.094 -0.227 0.000 1.055 436 V CA 2.420 64.659 62.300 -0.102 0.000 1.038 436 V CB -0.902 30.958 31.823 0.062 0.000 0.651 436 V HN 0.195 nan 8.190 nan 0.000 0.450 437 R N -0.798 119.585 120.500 -0.195 0.000 2.073 437 R HA -0.113 4.228 4.340 0.001 0.000 0.234 437 R C 2.383 178.540 176.300 -0.238 0.000 1.134 437 R CA 1.691 57.680 56.100 -0.185 0.000 0.952 437 R CB -0.347 29.849 30.300 -0.174 0.000 0.850 437 R HN 0.436 nan 8.270 nan 0.000 0.433 438 M N -0.254 119.163 119.600 -0.304 0.000 2.086 438 M HA -0.147 4.333 4.480 0.001 0.000 0.261 438 M C 2.222 178.323 176.300 -0.332 0.000 1.067 438 M CA 1.460 56.569 55.300 -0.317 0.000 1.116 438 M CB -0.221 32.232 32.600 -0.246 0.000 1.348 438 M HN 0.136 nan 8.290 nan 0.000 0.407 439 M N -0.071 119.256 119.600 -0.455 0.000 2.358 439 M HA -0.084 4.397 4.480 0.001 0.000 0.264 439 M C 1.887 177.985 176.300 -0.335 0.000 1.064 439 M CA 1.547 56.541 55.300 -0.511 0.000 1.093 439 M CB -1.310 30.720 32.600 -0.950 0.000 1.401 439 M HN 0.381 nan 8.290 nan 0.000 0.440 440 T N -3.916 110.476 114.554 -0.269 0.000 3.105 440 T HA 0.214 4.564 4.350 0.001 0.000 0.253 440 T C 0.481 175.104 174.700 -0.129 0.000 1.047 440 T CA -0.261 61.739 62.100 -0.166 0.000 0.944 440 T CB 0.038 68.830 68.868 -0.127 0.000 1.016 440 T HN 0.018 nan 8.240 nan 0.000 0.544 441 S N 3.362 118.967 115.700 -0.157 0.000 2.438 441 S HA 0.417 4.888 4.470 0.001 0.000 0.316 441 S C -1.932 172.594 174.600 -0.123 0.000 1.084 441 S CA -1.125 56.995 58.200 -0.133 0.000 1.107 441 S CB 1.800 64.895 63.200 -0.175 0.000 0.981 441 S HN 0.102 nan 8.310 nan 0.000 0.466 442 P HA -0.011 nan 4.420 nan 0.000 0.220 442 P C -0.147 177.125 177.300 -0.045 0.000 1.148 442 P CA 1.163 64.230 63.100 -0.055 0.000 0.803 442 P CB 0.002 31.684 31.700 -0.029 0.000 0.782 443 D N -5.002 115.372 120.400 -0.044 0.000 2.692 443 D HA 0.058 4.699 4.640 0.001 0.000 0.303 443 D C -0.025 176.274 176.300 -0.001 0.000 1.278 443 D CA -0.877 53.125 54.000 0.003 0.000 0.852 443 D CB -0.436 40.400 40.800 0.059 0.000 1.375 443 D HN -0.201 nan 8.370 nan 0.000 0.453 444 W N 0.140 121.461 121.300 0.036 0.000 2.402 444 W HA 0.158 4.818 4.660 0.000 0.000 0.286 444 W C 2.455 178.997 176.519 0.040 0.000 1.221 444 W CA 1.845 59.225 57.345 0.058 0.000 1.257 444 W CB -0.174 29.326 29.460 0.067 0.000 1.120 444 W HN 0.635 nan 8.180 nan 0.000 0.551 445 A N 0.334 123.296 122.820 0.237 0.000 1.892 445 A HA -0.201 4.120 4.320 0.001 0.000 0.218 445 A C 2.041 179.673 177.584 0.081 0.000 1.188 445 A CA 2.610 54.729 52.037 0.137 0.000 0.631 445 A CB -1.369 17.683 19.000 0.087 0.000 0.822 445 A HN 0.220 nan 8.150 nan 0.000 0.447 446 A N -0.942 121.904 122.820 0.043 0.000 1.930 446 A HA 0.018 4.339 4.320 0.001 0.000 0.217 446 A C 2.127 179.708 177.584 -0.004 0.000 1.175 446 A CA 1.708 53.748 52.037 0.005 0.000 0.627 446 A CB -0.576 18.412 19.000 -0.020 0.000 0.815 446 A HN 0.611 nan 8.150 nan 0.000 0.443 447 L N 0.315 121.517 121.223 -0.036 0.000 1.994 447 L HA -0.163 4.178 4.340 0.001 0.000 0.208 447 L C 1.647 178.569 176.870 0.088 0.000 1.071 447 L CA 2.437 57.249 54.840 -0.048 0.000 0.745 447 L CB -0.816 41.007 42.059 -0.394 0.000 0.892 447 L HN 0.346 nan 8.230 nan 0.000 0.431 448 D N -0.189 120.289 120.400 0.129 0.000 2.190 448 D HA -0.164 4.476 4.640 0.001 0.000 0.200 448 D C 2.016 178.263 176.300 -0.089 0.000 0.992 448 D CA 1.388 55.387 54.000 -0.002 0.000 0.854 448 D CB -0.046 40.806 40.800 0.087 0.000 0.936 448 D HN 0.509 nan 8.370 nan 0.000 0.462 449 A N 0.394 123.203 122.820 -0.019 0.000 2.209 449 A HA -0.071 4.249 4.320 0.001 0.000 0.212 449 A C 2.129 179.701 177.584 -0.019 0.000 1.158 449 A CA 1.601 53.622 52.037 -0.026 0.000 0.742 449 A CB -0.534 18.463 19.000 -0.005 0.000 0.790 449 A HN 0.329 nan 8.150 nan 0.000 0.472 450 T N -2.662 111.901 114.554 0.015 0.000 3.100 450 T HA 0.157 4.507 4.350 0.001 0.000 0.253 450 T C 0.885 175.627 174.700 0.071 0.000 1.118 450 T CA -0.308 61.846 62.100 0.089 0.000 1.058 450 T CB -0.248 68.742 68.868 0.203 0.000 0.953 450 T HN 0.427 nan 8.240 nan 0.000 0.515 451 R N 2.636 123.018 120.500 -0.197 0.000 2.734 451 R HA 0.333 4.674 4.340 0.001 0.000 0.266 451 R C -1.703 174.518 176.300 -0.132 0.000 1.044 451 R CA -1.296 54.554 56.100 -0.417 0.000 1.128 451 R CB -0.047 29.870 30.300 -0.638 0.000 1.010 451 R HN 0.365 nan 8.270 nan 0.000 0.461 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.091 63.100 -0.016 0.000 0.800 452 P CB 0.000 31.714 31.700 0.024 0.000 0.726