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 2gfw_1_A DATA FIRST_RESID 2 DATA SEQUENCE KRRVVVTGLG MLSPVGNTVE STWKALLAGQ SGISLIDHFD TSAYATKFAG DATA SEQUENCE LVKDFNCEDI ISRKEQRKMD AFIQYGIVAG VQAMQDSGLE ITEENATRIG DATA SEQUENCE AAIGSGIGGL GLIEENHTSL MNGGPRKISP FFVPSTIVNM VAGHLTIMYG DATA SEQUENCE LRGPSISIAT ACTSGVHNIG HAARIIAYGD ADVMVAGGAE KASTPLGVGG DATA SEQUENCE FGAARALSTR NDNPQAASRP WDKERDGFVL GDGAGMLVLE EYEHAKKRGA DATA SEQUENCE KIYAELVGFG MSSDAYHMTS PPENGAGAAL AMANALRDAG IEASQIGYVN DATA SEQUENCE AHGTSTPAGD KAEAQAVKTI FGEAASRVLV SSTKSMTGHL LGAAGAVESI DATA SEQUENCE YSILALRDQA VPPTINLDNP DEGCDLDFVP HEARQVSGME YTLCNSFGFG DATA SEQUENCE GTNGSLIFKK I 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.623 176.600 0.039 0.000 0.988 2 K CA 0.000 56.299 56.287 0.020 0.000 0.838 2 K CB 0.000 32.515 32.500 0.025 0.000 1.064 3 R N 2.283 122.803 120.500 0.035 0.000 2.370 3 R HA 0.286 4.625 4.340 -0.000 0.000 0.309 3 R C -0.121 176.215 176.300 0.060 0.000 1.059 3 R CA -0.093 56.040 56.100 0.055 0.000 0.981 3 R CB 0.624 30.949 30.300 0.043 0.000 0.972 3 R HN 0.288 nan 8.270 nan 0.000 0.437 4 R N 1.595 122.148 120.500 0.089 0.000 2.486 4 R HA 0.401 4.741 4.340 -0.000 0.000 0.286 4 R C -0.758 175.573 176.300 0.052 0.000 0.999 4 R CA -0.616 55.513 56.100 0.048 0.000 0.993 4 R CB 1.594 31.899 30.300 0.009 0.000 1.084 4 R HN 0.263 nan 8.270 nan 0.000 0.487 5 V N 3.995 123.912 119.914 0.005 0.000 2.448 5 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 5 V C -0.154 175.940 176.094 0.001 0.000 1.025 5 V CA -0.649 61.662 62.300 0.018 0.000 0.859 5 V CB 1.612 33.439 31.823 0.006 0.000 0.988 5 V HN 0.604 nan 8.190 nan 0.000 0.431 6 V N 3.068 123.007 119.914 0.042 0.000 3.113 6 V HA 0.819 4.939 4.120 -0.000 0.000 0.316 6 V C -0.596 175.558 176.094 0.101 0.000 1.125 6 V CA -0.873 61.461 62.300 0.056 0.000 1.026 6 V CB 2.207 34.070 31.823 0.067 0.000 1.080 6 V HN 0.445 nan 8.190 nan 0.000 0.444 7 V N 1.750 121.744 119.914 0.132 0.000 2.398 7 V HA 0.624 4.744 4.120 -0.000 0.000 0.286 7 V C 0.879 177.119 176.094 0.242 0.000 1.026 7 V CA 0.549 62.937 62.300 0.146 0.000 0.868 7 V CB 1.288 33.174 31.823 0.105 0.000 0.982 7 V HN 1.217 nan 8.190 nan 0.000 0.443 8 T N -0.182 114.510 114.554 0.229 0.000 3.332 8 T HA 0.505 4.855 4.350 -0.000 0.000 0.304 8 T C 0.229 175.104 174.700 0.290 0.000 0.971 8 T CA 0.283 62.539 62.100 0.261 0.000 0.954 8 T CB 0.234 69.186 68.868 0.139 0.000 1.175 8 T HN 1.089 nan 8.240 nan 0.000 0.519 9 G N 0.857 109.801 108.800 0.240 0.000 2.755 9 G HA2 0.615 4.575 3.960 -0.000 0.000 0.297 9 G HA3 0.615 4.575 3.960 -0.000 0.000 0.297 9 G C -2.002 172.854 174.900 -0.073 0.000 1.441 9 G CA -0.782 44.397 45.100 0.132 0.000 0.964 9 G HN 0.365 nan 8.290 nan 0.000 0.540 10 L N 0.475 121.628 121.223 -0.117 0.000 2.434 10 L HA 0.902 5.242 4.340 -0.000 0.000 0.260 10 L C 0.204 177.011 176.870 -0.105 0.000 0.983 10 L CA -0.894 53.813 54.840 -0.222 0.000 0.820 10 L CB 2.797 44.584 42.059 -0.453 0.000 1.361 10 L HN 0.912 nan 8.230 nan 0.000 0.410 11 G N 2.039 110.782 108.800 -0.095 0.000 2.733 11 G HA2 0.751 4.711 3.960 -0.000 0.000 0.297 11 G HA3 0.751 4.711 3.960 -0.000 0.000 0.297 11 G C -1.816 173.062 174.900 -0.037 0.000 1.422 11 G CA -0.409 44.667 45.100 -0.039 0.000 0.942 11 G HN 0.530 nan 8.290 nan 0.000 0.510 12 M N 1.029 120.626 119.600 -0.005 0.000 2.569 12 M HA 0.586 5.066 4.480 -0.000 0.000 0.287 12 M C -2.323 173.984 176.300 0.011 0.000 1.130 12 M CA -0.647 54.653 55.300 0.000 0.000 0.885 12 M CB 1.764 34.370 32.600 0.011 0.000 1.759 12 M HN 0.430 nan 8.290 nan 0.000 0.515 13 L N 3.118 124.332 121.223 -0.015 0.000 2.409 13 L HA 0.855 5.195 4.340 -0.000 0.000 0.272 13 L C -0.744 176.084 176.870 -0.069 0.000 0.980 13 L CA -0.396 54.403 54.840 -0.068 0.000 0.826 13 L CB 2.208 44.148 42.059 -0.199 0.000 1.268 13 L HN 0.862 nan 8.230 nan 0.000 0.407 14 S N 1.424 117.103 115.700 -0.036 0.000 2.638 14 S HA 0.614 5.084 4.470 -0.000 0.000 0.274 14 S C -2.637 171.962 174.600 -0.002 0.000 1.157 14 S CA -1.282 56.923 58.200 0.008 0.000 0.826 14 S CB 2.206 65.464 63.200 0.098 0.000 1.139 14 S HN 0.254 nan 8.310 nan 0.000 0.474 15 P HA 0.043 nan 4.420 nan 0.000 0.228 15 P C 0.975 178.289 177.300 0.024 0.000 1.151 15 P CA 0.888 64.004 63.100 0.026 0.000 0.770 15 P CB -0.085 31.645 31.700 0.051 0.000 0.786 16 V N -5.465 114.466 119.914 0.027 0.000 3.085 16 V HA 0.725 4.844 4.120 -0.000 0.000 0.345 16 V C 0.372 176.477 176.094 0.018 0.000 1.397 16 V CA 0.055 62.364 62.300 0.015 0.000 1.165 16 V CB -0.018 31.803 31.823 -0.002 0.000 1.153 16 V HN 0.077 nan 8.190 nan 0.000 0.495 17 G N 0.539 109.353 108.800 0.023 0.000 2.386 17 G HA2 0.212 4.171 3.960 -0.000 0.000 0.302 17 G HA3 0.212 4.171 3.960 -0.000 0.000 0.302 17 G C -0.900 174.015 174.900 0.026 0.000 1.629 17 G CA -0.473 44.644 45.100 0.028 0.000 0.917 17 G HN 0.021 nan 8.290 nan 0.000 0.676 18 N N 0.076 118.792 118.700 0.027 0.000 2.276 18 N HA 0.260 5.000 4.740 -0.000 0.000 0.212 18 N C 0.683 176.215 175.510 0.037 0.000 1.127 18 N CA 0.665 53.733 53.050 0.030 0.000 0.834 18 N CB 1.018 39.528 38.487 0.038 0.000 1.014 18 N HN 0.973 nan 8.380 nan 0.000 0.491 19 T N -5.177 109.403 114.554 0.044 0.000 2.787 19 T HA 0.379 4.729 4.350 -0.000 0.000 0.297 19 T C 1.007 175.745 174.700 0.063 0.000 1.221 19 T CA -0.711 61.417 62.100 0.047 0.000 1.006 19 T CB 0.992 69.889 68.868 0.047 0.000 1.328 19 T HN -0.271 nan 8.240 nan 0.000 0.509 20 V N 1.215 121.161 119.914 0.055 0.000 2.244 20 V HA -0.079 4.041 4.120 -0.000 0.000 0.244 20 V C 2.802 178.971 176.094 0.125 0.000 1.042 20 V CA 1.820 64.157 62.300 0.061 0.000 1.006 20 V CB -0.755 31.059 31.823 -0.014 0.000 0.641 20 V HN 0.878 nan 8.190 nan 0.000 0.446 21 E N 0.879 121.151 120.200 0.121 0.000 2.077 21 E HA -0.162 4.187 4.350 -0.000 0.000 0.193 21 E C 2.504 179.202 176.600 0.164 0.000 0.989 21 E CA 1.704 58.210 56.400 0.177 0.000 0.800 21 E CB -0.614 29.168 29.700 0.136 0.000 0.746 21 E HN 0.756 nan 8.360 nan 0.000 0.452 22 S N 0.599 116.361 115.700 0.104 0.000 2.348 22 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 22 S C 2.240 176.884 174.600 0.073 0.000 1.033 22 S CA 1.812 60.054 58.200 0.069 0.000 1.010 22 S CB -0.927 62.301 63.200 0.047 0.000 0.891 22 S HN 0.123 nan 8.310 nan 0.000 0.442 23 T N 1.112 115.727 114.554 0.101 0.000 2.635 23 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 23 T C 1.298 176.070 174.700 0.119 0.000 1.040 23 T CA 1.527 63.689 62.100 0.103 0.000 1.156 23 T CB -0.710 68.251 68.868 0.154 0.000 0.863 23 T HN 0.640 nan 8.240 nan 0.000 0.430 24 W N 2.142 123.412 121.300 -0.050 0.000 2.338 24 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 24 W C 2.398 178.863 176.519 -0.090 0.000 1.212 24 W CA 1.512 58.803 57.345 -0.089 0.000 1.264 24 W CB -0.161 29.283 29.460 -0.027 0.000 1.142 24 W HN 0.239 nan 8.180 nan 0.000 0.512 25 K N 0.548 120.901 120.400 -0.077 0.000 2.026 25 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 25 K C 2.243 178.713 176.600 -0.217 0.000 1.048 25 K CA 1.838 58.002 56.287 -0.205 0.000 0.929 25 K CB -0.554 31.906 32.500 -0.068 0.000 0.713 25 K HN 0.058 nan 8.250 nan 0.000 0.439 26 A N 1.303 124.045 122.820 -0.129 0.000 1.940 26 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 26 A C 2.117 179.598 177.584 -0.172 0.000 1.176 26 A CA 1.451 53.417 52.037 -0.118 0.000 0.631 26 A CB -0.598 18.364 19.000 -0.063 0.000 0.814 26 A HN 0.345 nan 8.150 nan 0.000 0.446 27 L N -0.890 120.190 121.223 -0.239 0.000 2.072 27 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 27 L C 2.425 179.074 176.870 -0.368 0.000 1.079 27 L CA 0.820 55.485 54.840 -0.292 0.000 0.752 27 L CB -0.462 41.380 42.059 -0.361 0.000 0.906 27 L HN 0.346 nan 8.230 nan 0.000 0.436 28 L N -0.233 120.659 121.223 -0.551 0.000 2.201 28 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 28 L C 2.443 179.137 176.870 -0.293 0.000 1.105 28 L CA 0.766 55.298 54.840 -0.513 0.000 0.775 28 L CB -0.566 41.083 42.059 -0.683 0.000 0.913 28 L HN 0.229 nan 8.230 nan 0.000 0.440 29 A N -0.317 122.359 122.820 -0.239 0.000 2.238 29 A HA 0.285 4.605 4.320 -0.000 0.000 0.208 29 A C 1.763 179.278 177.584 -0.114 0.000 1.177 29 A CA 0.606 52.552 52.037 -0.152 0.000 0.804 29 A CB -0.532 18.392 19.000 -0.127 0.000 0.823 29 A HN 0.485 nan 8.150 nan 0.000 0.482 30 G N -0.631 108.093 108.800 -0.127 0.000 2.203 30 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.263 30 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.263 30 G C 0.110 174.974 174.900 -0.059 0.000 1.012 30 G CA 0.561 45.613 45.100 -0.080 0.000 0.749 30 G HN 0.678 nan 8.290 nan 0.000 0.512 31 Q N 0.126 119.884 119.800 -0.069 0.000 2.352 31 Q HA 0.456 4.796 4.340 -0.000 0.000 0.260 31 Q C 0.604 176.584 176.000 -0.034 0.000 0.976 31 Q CA 0.457 56.232 55.803 -0.047 0.000 0.881 31 Q CB 1.099 29.808 28.738 -0.048 0.000 1.235 31 Q HN 0.318 nan 8.270 nan 0.000 0.419 32 S N 0.513 116.201 115.700 -0.019 0.000 2.541 32 S HA 0.493 4.963 4.470 -0.000 0.000 0.283 32 S C 0.680 175.282 174.600 0.004 0.000 1.196 32 S CA -0.321 57.876 58.200 -0.006 0.000 1.062 32 S CB 1.076 64.272 63.200 -0.007 0.000 1.009 32 S HN 0.756 nan 8.310 nan 0.000 0.502 33 G N 3.360 112.173 108.800 0.021 0.000 3.126 33 G HA2 0.200 4.160 3.960 -0.000 0.000 0.224 33 G HA3 0.200 4.160 3.960 -0.000 0.000 0.224 33 G C 0.264 175.195 174.900 0.052 0.000 1.142 33 G CA -0.231 44.888 45.100 0.032 0.000 0.759 33 G HN 0.648 nan 8.290 nan 0.000 0.550 34 I N 2.749 123.355 120.570 0.060 0.000 2.471 34 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 34 I C 0.495 176.654 176.117 0.070 0.000 1.079 34 I CA -0.337 61.020 61.300 0.096 0.000 1.398 34 I CB 0.046 38.114 38.000 0.114 0.000 1.403 34 I HN 0.140 nan 8.210 nan 0.000 0.530 35 S N 6.334 122.098 115.700 0.107 0.000 2.671 35 S HA 0.710 5.180 4.470 -0.000 0.000 0.277 35 S C -0.704 173.973 174.600 0.129 0.000 1.165 35 S CA -1.050 57.197 58.200 0.078 0.000 0.822 35 S CB 1.520 64.751 63.200 0.053 0.000 1.150 35 S HN 0.372 nan 8.310 nan 0.000 0.479 36 L N 1.415 122.690 121.223 0.087 0.000 2.416 36 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 36 L C 0.086 176.975 176.870 0.032 0.000 1.161 36 L CA -0.464 54.429 54.840 0.087 0.000 0.845 36 L CB 0.124 42.208 42.059 0.042 0.000 1.119 36 L HN 0.580 nan 8.230 nan 0.000 0.464 37 I N 3.169 123.717 120.570 -0.037 0.000 2.634 37 I HA -0.029 4.141 4.170 -0.000 0.000 0.284 37 I C 0.789 176.774 176.117 -0.220 0.000 1.124 37 I CA 0.556 61.770 61.300 -0.143 0.000 1.417 37 I CB 0.612 38.348 38.000 -0.439 0.000 1.396 37 I HN 0.823 nan 8.210 nan 0.000 0.571 38 D N 4.231 124.550 120.400 -0.134 0.000 2.516 38 D HA -0.089 4.551 4.640 -0.000 0.000 0.241 38 D C 0.995 177.242 176.300 -0.088 0.000 1.246 38 D CA -0.083 53.843 54.000 -0.124 0.000 0.808 38 D CB 0.031 40.819 40.800 -0.019 0.000 1.147 38 D HN 0.713 nan 8.370 nan 0.000 0.527 39 H N 0.675 119.690 119.070 -0.093 0.000 2.548 39 H HA 0.202 4.757 4.556 -0.000 0.000 0.265 39 H C -0.025 175.378 175.328 0.124 0.000 0.969 39 H CA -0.137 55.931 56.048 0.033 0.000 1.155 39 H CB -0.358 29.461 29.762 0.095 0.000 1.394 39 H HN 0.238 nan 8.280 nan 0.000 0.570 40 F N -0.642 119.070 119.950 -0.396 0.000 2.631 40 F HA 0.408 4.935 4.527 -0.000 0.000 0.308 40 F C -1.071 174.602 175.800 -0.212 0.000 1.097 40 F CA -1.848 55.997 58.000 -0.259 0.000 0.952 40 F CB 1.246 40.073 39.000 -0.289 0.000 1.307 40 F HN -0.245 nan 8.300 nan 0.000 0.450 41 D N 1.758 122.224 120.400 0.110 0.000 2.363 41 D HA 0.135 4.775 4.640 -0.000 0.000 0.263 41 D C 0.961 177.323 176.300 0.103 0.000 1.258 41 D CA 0.472 54.506 54.000 0.056 0.000 0.907 41 D CB 1.060 41.931 40.800 0.119 0.000 1.107 41 D HN 0.773 nan 8.370 nan 0.000 0.495 42 T N -0.057 114.438 114.554 -0.097 0.000 3.206 42 T HA 0.073 4.423 4.350 -0.000 0.000 0.253 42 T C 1.510 176.340 174.700 0.217 0.000 1.042 42 T CA -0.223 61.876 62.100 -0.002 0.000 0.931 42 T CB -0.068 68.644 68.868 -0.262 0.000 1.029 42 T HN 0.130 nan 8.240 nan 0.000 0.564 43 S N 2.080 117.892 115.700 0.188 0.000 2.359 43 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 43 S C 2.381 177.067 174.600 0.142 0.000 1.035 43 S CA 1.216 59.498 58.200 0.136 0.000 1.018 43 S CB -0.604 62.654 63.200 0.097 0.000 0.876 43 S HN 0.818 nan 8.310 nan 0.000 0.448 44 A N -0.153 122.770 122.820 0.172 0.000 2.169 44 A HA 0.241 4.561 4.320 -0.000 0.000 0.212 44 A C 0.104 177.650 177.584 -0.065 0.000 1.153 44 A CA 0.065 52.111 52.037 0.015 0.000 0.756 44 A CB -0.315 18.635 19.000 -0.083 0.000 0.813 44 A HN 0.430 nan 8.150 nan 0.000 0.471 45 Y N -0.770 119.565 120.300 0.058 0.000 2.335 45 Y HA 0.376 4.926 4.550 -0.000 0.000 0.331 45 Y C 1.526 177.444 175.900 0.030 0.000 1.094 45 Y CA -0.061 58.074 58.100 0.057 0.000 1.253 45 Y CB 0.985 39.510 38.460 0.108 0.000 1.203 45 Y HN 0.151 nan 8.280 nan 0.000 0.508 46 A N 2.115 125.006 122.820 0.118 0.000 1.968 46 A HA -0.016 4.303 4.320 -0.000 0.000 0.217 46 A C 0.885 178.516 177.584 0.078 0.000 1.169 46 A CA 1.044 53.125 52.037 0.074 0.000 0.638 46 A CB -0.318 18.701 19.000 0.030 0.000 0.812 46 A HN 0.646 nan 8.150 nan 0.000 0.446 47 T N 0.459 115.051 114.554 0.064 0.000 2.779 47 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 47 T C 0.333 174.998 174.700 -0.059 0.000 0.987 47 T CA -0.550 61.491 62.100 -0.098 0.000 0.966 47 T CB 1.400 70.097 68.868 -0.286 0.000 0.933 47 T HN 0.288 nan 8.240 nan 0.000 0.442 48 K N 2.022 122.408 120.400 -0.024 0.000 2.402 48 K HA 0.231 4.551 4.320 -0.000 0.000 0.204 48 K C -0.228 176.397 176.600 0.042 0.000 1.056 48 K CA -0.077 56.213 56.287 0.005 0.000 1.069 48 K CB 0.507 33.051 32.500 0.075 0.000 0.888 48 K HN 0.609 nan 8.250 nan 0.000 0.546 49 F N 0.022 119.957 119.950 -0.026 0.000 2.598 49 F HA 0.856 5.383 4.527 -0.000 0.000 0.327 49 F C -0.549 175.264 175.800 0.021 0.000 1.057 49 F CA -1.475 56.516 58.000 -0.015 0.000 0.957 49 F CB 1.266 40.265 39.000 -0.002 0.000 1.278 49 F HN -0.150 nan 8.300 nan 0.000 0.484 50 A N -0.008 122.930 122.820 0.197 0.000 2.564 50 A HA 0.690 5.010 4.320 -0.000 0.000 0.291 50 A C -0.890 176.798 177.584 0.173 0.000 1.102 50 A CA -0.506 51.615 52.037 0.141 0.000 0.660 50 A CB 0.737 19.796 19.000 0.097 0.000 1.283 50 A HN 1.624 nan 8.150 nan 0.000 0.430 51 G N 0.722 109.609 108.800 0.145 0.000 2.571 51 G HA2 0.546 4.505 3.960 -0.000 0.000 0.327 51 G HA3 0.546 4.505 3.960 -0.000 0.000 0.327 51 G C -0.323 174.635 174.900 0.097 0.000 1.008 51 G CA -0.152 45.018 45.100 0.117 0.000 1.136 51 G HN 0.603 nan 8.290 nan 0.000 0.444 52 L N 1.480 122.756 121.223 0.087 0.000 2.375 52 L HA 0.459 4.799 4.340 -0.000 0.000 0.268 52 L C 0.193 177.079 176.870 0.027 0.000 1.058 52 L CA -1.221 53.661 54.840 0.069 0.000 0.803 52 L CB 1.795 43.900 42.059 0.077 0.000 1.212 52 L HN 0.058 nan 8.230 nan 0.000 0.451 53 V N 1.681 121.587 119.914 -0.013 0.000 2.385 53 V HA 0.171 4.291 4.120 -0.000 0.000 0.269 53 V C 0.038 176.132 176.094 0.001 0.000 1.043 53 V CA -0.552 61.695 62.300 -0.088 0.000 0.906 53 V CB 1.000 32.589 31.823 -0.391 0.000 0.995 53 V HN 0.598 nan 8.190 nan 0.000 0.467 54 K N 3.973 124.385 120.400 0.021 0.000 2.205 54 K HA 0.342 4.662 4.320 -0.000 0.000 0.279 54 K C 0.253 176.892 176.600 0.066 0.000 1.027 54 K CA -0.323 55.993 56.287 0.048 0.000 0.932 54 K CB 0.389 32.911 32.500 0.036 0.000 1.032 54 K HN 0.718 nan 8.250 nan 0.000 0.466 55 D N 1.667 122.115 120.400 0.081 0.000 2.708 55 D HA -0.246 4.393 4.640 -0.000 0.000 0.236 55 D C -0.530 175.825 176.300 0.091 0.000 1.146 55 D CA 0.595 54.638 54.000 0.072 0.000 0.662 55 D CB -1.294 39.527 40.800 0.034 0.000 1.059 55 D HN 0.378 nan 8.370 nan 0.000 0.428 56 F N 1.990 121.940 119.950 -0.001 0.000 2.578 56 F HA 0.211 4.738 4.527 -0.000 0.000 0.381 56 F C 0.490 176.305 175.800 0.025 0.000 1.069 56 F CA -0.298 57.701 58.000 -0.001 0.000 1.231 56 F CB 0.426 39.452 39.000 0.043 0.000 1.086 56 F HN -0.001 nan 8.300 nan 0.000 0.564 57 N N 4.760 123.007 118.700 -0.756 0.000 2.295 57 N HA 0.427 5.166 4.740 -0.000 0.000 0.293 57 N C -0.593 174.435 175.510 -0.804 0.000 1.040 57 N CA -0.561 52.092 53.050 -0.660 0.000 0.840 57 N CB 1.282 39.597 38.487 -0.285 0.000 1.468 57 N HN 0.716 nan 8.380 nan 0.000 0.478 58 C N 1.383 120.300 119.300 -0.639 0.000 3.512 58 C HA 0.461 4.921 4.460 -0.000 0.000 0.276 58 C C 1.586 176.464 174.990 -0.187 0.000 1.592 58 C CA -0.483 58.313 59.018 -0.369 0.000 1.803 58 C CB -0.819 26.762 27.740 -0.265 0.000 2.996 58 C HN 0.776 nan 8.230 nan 0.000 0.590 59 E N 3.560 123.654 120.200 -0.177 0.000 2.086 59 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 59 E C 1.787 178.340 176.600 -0.079 0.000 1.027 59 E CA 2.671 59.008 56.400 -0.105 0.000 0.830 59 E CB -0.072 29.574 29.700 -0.091 0.000 0.751 59 E HN 0.861 nan 8.360 nan 0.000 0.456 60 D N -0.888 119.465 120.400 -0.078 0.000 2.347 60 D HA -0.108 4.532 4.640 -0.000 0.000 0.215 60 D C 1.574 177.844 176.300 -0.050 0.000 0.976 60 D CA 0.458 54.425 54.000 -0.055 0.000 0.884 60 D CB 0.043 40.815 40.800 -0.047 0.000 0.915 60 D HN 0.257 nan 8.370 nan 0.000 0.526 61 I N 0.093 120.628 120.570 -0.058 0.000 2.810 61 I HA 0.199 4.369 4.170 -0.000 0.000 0.262 61 I C 0.920 177.010 176.117 -0.045 0.000 1.131 61 I CA 0.212 61.487 61.300 -0.040 0.000 1.453 61 I CB 0.070 38.056 38.000 -0.023 0.000 1.161 61 I HN -0.102 nan 8.210 nan 0.000 0.444 62 I N 1.101 121.638 120.570 -0.055 0.000 2.447 62 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 62 I C 0.414 176.493 176.117 -0.062 0.000 1.023 62 I CA -0.532 60.730 61.300 -0.063 0.000 1.083 62 I CB 1.935 39.897 38.000 -0.063 0.000 1.245 62 I HN -0.013 nan 8.210 nan 0.000 0.434 63 S N 5.432 121.096 115.700 -0.061 0.000 2.515 63 S HA 0.136 4.606 4.470 -0.000 0.000 0.285 63 S C 1.120 175.688 174.600 -0.053 0.000 1.265 63 S CA -0.454 57.715 58.200 -0.051 0.000 1.079 63 S CB 0.517 63.690 63.200 -0.046 0.000 0.877 63 S HN 0.685 nan 8.310 nan 0.000 0.493 64 R N 2.903 123.378 120.500 -0.041 0.000 2.332 64 R HA -0.145 4.194 4.340 -0.000 0.000 0.239 64 R C 1.745 178.021 176.300 -0.039 0.000 1.160 64 R CA 1.695 57.775 56.100 -0.034 0.000 1.020 64 R CB -0.450 29.839 30.300 -0.019 0.000 0.859 64 R HN 0.686 nan 8.270 nan 0.000 0.478 65 K N 0.154 120.529 120.400 -0.043 0.000 2.228 65 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 65 K C 1.518 178.060 176.600 -0.097 0.000 1.051 65 K CA 0.698 56.957 56.287 -0.046 0.000 0.960 65 K CB 0.231 32.714 32.500 -0.028 0.000 0.743 65 K HN 0.152 nan 8.250 nan 0.000 0.458 66 E N 0.806 120.940 120.200 -0.111 0.000 2.251 66 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 66 E C 1.875 178.361 176.600 -0.189 0.000 0.964 66 E CA 0.469 56.769 56.400 -0.165 0.000 0.868 66 E CB 0.231 29.846 29.700 -0.141 0.000 0.828 66 E HN 0.277 nan 8.360 nan 0.000 0.481 67 Q N 0.707 120.430 119.800 -0.128 0.000 2.152 67 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 67 Q C 2.213 178.154 176.000 -0.097 0.000 0.985 67 Q CA 1.299 57.044 55.803 -0.097 0.000 0.863 67 Q CB -0.137 28.577 28.738 -0.040 0.000 0.904 67 Q HN 0.062 nan 8.270 nan 0.000 0.422 68 R N 1.141 121.579 120.500 -0.103 0.000 2.193 68 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 68 R C 0.792 177.007 176.300 -0.142 0.000 1.110 68 R CA 1.076 57.133 56.100 -0.072 0.000 0.988 68 R CB 0.158 30.440 30.300 -0.031 0.000 0.871 68 R HN 0.133 nan 8.270 nan 0.000 0.458 69 K N 0.363 120.572 120.400 -0.320 0.000 2.437 69 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 69 K C -0.147 176.367 176.600 -0.144 0.000 1.024 69 K CA 0.166 56.195 56.287 -0.430 0.000 1.148 69 K CB 0.371 32.447 32.500 -0.707 0.000 0.860 69 K HN 0.190 nan 8.250 nan 0.000 0.515 70 M N -0.362 119.170 119.600 -0.112 0.000 2.277 70 M HA 0.286 4.766 4.480 -0.000 0.000 0.282 70 M C -1.222 175.028 176.300 -0.083 0.000 1.074 70 M CA -0.963 54.275 55.300 -0.103 0.000 0.954 70 M CB 1.830 34.300 32.600 -0.217 0.000 1.672 70 M HN -0.202 nan 8.290 nan 0.000 0.471 71 D N 1.994 122.365 120.400 -0.048 0.000 2.390 71 D HA 0.351 4.990 4.640 -0.000 0.000 0.236 71 D C 1.289 177.503 176.300 -0.144 0.000 1.189 71 D CA 0.976 54.969 54.000 -0.011 0.000 0.887 71 D CB 1.327 42.230 40.800 0.172 0.000 1.198 71 D HN 0.743 nan 8.370 nan 0.000 0.444 72 A N 2.558 125.271 122.820 -0.178 0.000 1.997 72 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 72 A C 1.926 179.087 177.584 -0.705 0.000 1.172 72 A CA 1.964 53.719 52.037 -0.469 0.000 0.645 72 A CB -1.137 17.552 19.000 -0.517 0.000 0.813 72 A HN 0.728 nan 8.150 nan 0.000 0.454 73 F N -0.504 119.159 119.950 -0.478 0.000 2.259 73 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 73 F C 1.696 177.385 175.800 -0.185 0.000 1.088 73 F CA 1.107 58.897 58.000 -0.351 0.000 1.358 73 F CB -0.426 38.475 39.000 -0.164 0.000 1.040 73 F HN 0.147 nan 8.300 nan 0.000 0.505 74 I N 0.546 120.495 120.570 -1.036 0.000 2.353 74 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 74 I C 2.470 178.367 176.117 -0.367 0.000 1.119 74 I CA 1.145 61.935 61.300 -0.850 0.000 1.417 74 I CB -0.554 37.021 38.000 -0.709 0.000 1.078 74 I HN 0.260 nan 8.210 nan 0.000 0.421 75 Q N -0.157 119.474 119.800 -0.282 0.000 2.046 75 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 75 Q C 2.264 178.334 176.000 0.117 0.000 0.975 75 Q CA 1.526 57.305 55.803 -0.040 0.000 0.836 75 Q CB -0.167 28.602 28.738 0.053 0.000 0.896 75 Q HN 0.441 nan 8.270 nan 0.000 0.428 76 Y N 0.117 120.259 120.300 -0.264 0.000 2.165 76 Y HA -0.142 4.408 4.550 -0.000 0.000 0.286 76 Y C 2.485 178.347 175.900 -0.064 0.000 1.155 76 Y CA 1.216 59.167 58.100 -0.249 0.000 1.164 76 Y CB -1.246 37.054 38.460 -0.266 0.000 0.978 76 Y HN 0.178 nan 8.280 nan 0.000 0.513 77 G N -0.261 108.589 108.800 0.084 0.000 2.402 77 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 77 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 77 G C 1.893 176.822 174.900 0.049 0.000 1.162 77 G CA 0.897 46.025 45.100 0.046 0.000 0.777 77 G HN 0.379 nan 8.290 nan 0.000 0.539 78 I N 0.221 120.812 120.570 0.035 0.000 2.142 78 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 78 I C 2.824 179.005 176.117 0.107 0.000 1.078 78 I CA 0.575 61.911 61.300 0.061 0.000 1.343 78 I CB -0.230 37.777 38.000 0.012 0.000 1.046 78 I HN 0.032 nan 8.210 nan 0.000 0.405 79 V N 0.979 120.984 119.914 0.151 0.000 2.255 79 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 79 V C 2.645 178.812 176.094 0.122 0.000 1.051 79 V CA 2.205 64.605 62.300 0.167 0.000 1.018 79 V CB -1.080 30.919 31.823 0.294 0.000 0.641 79 V HN 0.537 nan 8.190 nan 0.000 0.445 80 A N 0.107 122.992 122.820 0.108 0.000 2.070 80 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 80 A C 2.319 179.925 177.584 0.036 0.000 1.159 80 A CA 1.816 53.889 52.037 0.059 0.000 0.656 80 A CB -0.980 18.044 19.000 0.040 0.000 0.800 80 A HN 0.570 nan 8.150 nan 0.000 0.453 81 G N -0.681 108.147 108.800 0.048 0.000 2.394 81 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 81 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 81 G C 1.487 176.398 174.900 0.017 0.000 1.176 81 G CA 1.042 46.154 45.100 0.019 0.000 0.786 81 G HN 0.277 nan 8.290 nan 0.000 0.533 82 V N 0.789 120.767 119.914 0.108 0.000 2.295 82 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 82 V C 2.937 179.089 176.094 0.098 0.000 1.049 82 V CA 2.269 64.676 62.300 0.178 0.000 1.024 82 V CB -0.667 31.269 31.823 0.188 0.000 0.648 82 V HN 0.431 nan 8.190 nan 0.000 0.447 83 Q N -0.223 119.617 119.800 0.066 0.000 2.096 83 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 83 Q C 2.412 178.426 176.000 0.024 0.000 0.982 83 Q CA 1.898 57.729 55.803 0.047 0.000 0.850 83 Q CB -0.447 28.313 28.738 0.037 0.000 0.901 83 Q HN 0.689 nan 8.270 nan 0.000 0.422 84 A N 0.599 123.415 122.820 -0.006 0.000 1.902 84 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 84 A C 2.044 179.602 177.584 -0.042 0.000 1.181 84 A CA 1.239 53.257 52.037 -0.032 0.000 0.623 84 A CB -0.297 18.669 19.000 -0.057 0.000 0.818 84 A HN 0.225 nan 8.150 nan 0.000 0.443 85 M N -0.475 119.067 119.600 -0.097 0.000 2.132 85 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 85 M C 2.293 178.579 176.300 -0.023 0.000 1.065 85 M CA 1.369 56.567 55.300 -0.170 0.000 1.122 85 M CB -1.479 30.792 32.600 -0.548 0.000 1.365 85 M HN 0.528 nan 8.290 nan 0.000 0.411 86 Q N -0.078 119.749 119.800 0.044 0.000 1.993 86 Q HA -0.228 4.111 4.340 -0.000 0.000 0.202 86 Q C 1.695 177.731 176.000 0.059 0.000 0.984 86 Q CA 1.870 57.719 55.803 0.076 0.000 0.837 86 Q CB -0.392 28.398 28.738 0.086 0.000 0.902 86 Q HN 0.465 nan 8.270 nan 0.000 0.423 87 D N 0.122 120.558 120.400 0.060 0.000 2.271 87 D HA -0.143 4.496 4.640 -0.000 0.000 0.207 87 D C 1.904 178.258 176.300 0.090 0.000 0.983 87 D CA 1.437 55.487 54.000 0.083 0.000 0.878 87 D CB 0.024 40.888 40.800 0.106 0.000 0.920 87 D HN 0.245 nan 8.370 nan 0.000 0.479 88 S N -1.730 114.010 115.700 0.066 0.000 2.446 88 S HA 0.146 4.616 4.470 -0.000 0.000 0.225 88 S C 2.073 176.702 174.600 0.049 0.000 1.016 88 S CA 0.910 59.150 58.200 0.066 0.000 0.943 88 S CB -0.119 63.107 63.200 0.043 0.000 0.786 88 S HN 0.453 nan 8.310 nan 0.000 0.508 89 G N 0.681 109.507 108.800 0.044 0.000 2.205 89 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 89 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 89 G C -0.002 174.924 174.900 0.044 0.000 0.980 89 G CA 0.266 45.389 45.100 0.039 0.000 0.632 89 G HN 0.720 nan 8.290 nan 0.000 0.533 90 L N 1.518 122.770 121.223 0.048 0.000 2.540 90 L HA 0.442 4.782 4.340 -0.000 0.000 0.276 90 L C 0.471 177.383 176.870 0.071 0.000 1.212 90 L CA 0.713 55.589 54.840 0.059 0.000 0.893 90 L CB 0.411 42.505 42.059 0.058 0.000 1.138 90 L HN 0.317 nan 8.230 nan 0.000 0.491 91 E N 5.488 125.731 120.200 0.071 0.000 2.133 91 E HA 0.335 4.684 4.350 -0.000 0.000 0.274 91 E C -0.891 175.760 176.600 0.085 0.000 0.930 91 E CA -0.714 55.732 56.400 0.077 0.000 0.770 91 E CB 1.231 30.964 29.700 0.054 0.000 1.104 91 E HN 0.417 nan 8.360 nan 0.000 0.403 92 I N 3.332 123.962 120.570 0.100 0.000 2.337 92 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 92 I C 0.859 177.020 176.117 0.073 0.000 1.046 92 I CA -0.245 61.112 61.300 0.095 0.000 1.324 92 I CB -0.123 37.951 38.000 0.123 0.000 1.409 92 I HN 0.459 nan 8.210 nan 0.000 0.494 93 T N 1.376 115.968 114.554 0.064 0.000 2.923 93 T HA 0.298 4.648 4.350 -0.000 0.000 0.281 93 T C 0.963 175.690 174.700 0.044 0.000 0.995 93 T CA -0.465 61.664 62.100 0.049 0.000 0.985 93 T CB 2.265 71.160 68.868 0.045 0.000 1.114 93 T HN 0.570 nan 8.240 nan 0.000 0.548 94 E N 0.270 120.491 120.200 0.035 0.000 2.110 94 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 94 E C 1.707 178.326 176.600 0.031 0.000 0.988 94 E CA 1.622 58.040 56.400 0.030 0.000 0.804 94 E CB -0.210 29.504 29.700 0.024 0.000 0.745 94 E HN 0.818 nan 8.360 nan 0.000 0.458 95 E N -0.778 119.442 120.200 0.034 0.000 2.489 95 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 95 E C 1.117 177.744 176.600 0.044 0.000 1.057 95 E CA -0.024 56.397 56.400 0.035 0.000 0.866 95 E CB 0.174 29.893 29.700 0.033 0.000 0.916 95 E HN 0.166 nan 8.360 nan 0.000 0.500 96 N N 0.503 119.234 118.700 0.051 0.000 2.322 96 N HA 0.032 4.772 4.740 -0.000 0.000 0.186 96 N C 1.578 177.115 175.510 0.044 0.000 1.037 96 N CA 1.115 54.203 53.050 0.063 0.000 0.869 96 N CB -0.327 38.206 38.487 0.077 0.000 1.036 96 N HN 0.104 nan 8.380 nan 0.000 0.439 97 A N 0.506 123.353 122.820 0.045 0.000 1.906 97 A HA -0.337 3.982 4.320 -0.000 0.000 0.236 97 A C 2.178 179.778 177.584 0.027 0.000 1.793 97 A CA 3.312 55.373 52.037 0.040 0.000 0.813 97 A CB -1.761 17.263 19.000 0.040 0.000 0.841 97 A HN 0.427 nan 8.150 nan 0.000 0.491 98 T N -0.643 113.926 114.554 0.024 0.000 2.814 98 T HA -0.223 4.127 4.350 -0.000 0.000 0.264 98 T C 1.563 176.269 174.700 0.010 0.000 1.050 98 T CA 1.890 64.000 62.100 0.018 0.000 1.147 98 T CB -0.317 68.563 68.868 0.019 0.000 0.833 98 T HN 0.459 nan 8.240 nan 0.000 0.498 99 R N -0.127 120.374 120.500 0.002 0.000 2.362 99 R HA 0.373 4.713 4.340 -0.000 0.000 0.227 99 R C 0.140 176.413 176.300 -0.046 0.000 0.905 99 R CA 0.054 56.140 56.100 -0.023 0.000 1.067 99 R CB 0.352 30.627 30.300 -0.041 0.000 1.078 99 R HN 0.402 nan 8.270 nan 0.000 0.516 100 I N 0.277 120.833 120.570 -0.024 0.000 2.389 100 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 100 I C 0.452 176.563 176.117 -0.010 0.000 0.999 100 I CA -0.654 60.630 61.300 -0.027 0.000 1.129 100 I CB 2.087 40.081 38.000 -0.010 0.000 1.288 100 I HN -0.019 nan 8.210 nan 0.000 0.444 101 G N 4.135 112.926 108.800 -0.015 0.000 3.222 101 G HA2 0.898 4.858 3.960 -0.000 0.000 0.263 101 G HA3 0.898 4.858 3.960 -0.000 0.000 0.263 101 G C -1.750 173.144 174.900 -0.010 0.000 1.312 101 G CA -0.663 44.434 45.100 -0.005 0.000 0.934 101 G HN 0.715 nan 8.290 nan 0.000 0.577 102 A N -1.622 121.197 122.820 -0.002 0.000 2.455 102 A HA 0.827 5.147 4.320 -0.000 0.000 0.300 102 A C -0.612 176.976 177.584 0.007 0.000 1.040 102 A CA 0.048 52.085 52.037 -0.000 0.000 0.697 102 A CB 1.621 20.625 19.000 0.007 0.000 1.265 102 A HN 2.111 nan 8.150 nan 0.000 0.407 103 A N 2.816 125.640 122.820 0.008 0.000 2.763 103 A HA 0.671 4.990 4.320 -0.000 0.000 0.325 103 A C -0.869 176.729 177.584 0.023 0.000 1.209 103 A CA -0.083 51.965 52.037 0.018 0.000 0.764 103 A CB -0.246 18.766 19.000 0.020 0.000 1.120 103 A HN 0.702 nan 8.150 nan 0.000 0.463 104 I N 1.725 122.315 120.570 0.034 0.000 2.466 104 I HA 0.645 4.815 4.170 -0.000 0.000 0.289 104 I C 0.639 176.801 176.117 0.075 0.000 1.026 104 I CA -0.546 60.783 61.300 0.048 0.000 1.078 104 I CB 2.404 40.431 38.000 0.046 0.000 1.249 104 I HN 0.586 nan 8.210 nan 0.000 0.429 105 G N 2.880 111.732 108.800 0.086 0.000 3.105 105 G HA2 0.763 4.723 3.960 -0.000 0.000 0.277 105 G HA3 0.763 4.723 3.960 -0.000 0.000 0.277 105 G C -1.506 173.469 174.900 0.125 0.000 1.375 105 G CA -0.555 44.607 45.100 0.103 0.000 0.962 105 G HN 0.502 nan 8.290 nan 0.000 0.541 106 S N -2.773 112.976 115.700 0.082 0.000 2.547 106 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 106 S C 0.848 175.425 174.600 -0.038 0.000 1.150 106 S CA 0.499 58.707 58.200 0.013 0.000 0.850 106 S CB 1.223 64.368 63.200 -0.091 0.000 1.118 106 S HN 1.278 nan 8.310 nan 0.000 0.461 107 G N 1.656 110.427 108.800 -0.048 0.000 2.411 107 G HA2 0.152 4.112 3.960 -0.000 0.000 0.213 107 G HA3 0.152 4.112 3.960 -0.000 0.000 0.213 107 G C 0.900 175.779 174.900 -0.035 0.000 1.166 107 G CA 0.610 45.706 45.100 -0.007 0.000 0.802 107 G HN 0.668 nan 8.290 nan 0.000 0.533 108 I N -0.239 120.266 120.570 -0.108 0.000 4.312 108 I HA 0.287 4.457 4.170 -0.000 0.000 0.324 108 I C 1.578 177.513 176.117 -0.303 0.000 1.298 108 I CA 0.364 61.583 61.300 -0.135 0.000 1.231 108 I CB 0.336 38.307 38.000 -0.048 0.000 1.152 108 I HN 0.356 nan 8.210 nan 0.000 0.421 109 G N 1.544 109.969 108.800 -0.625 0.000 2.598 109 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.244 109 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.244 109 G C 0.606 175.014 174.900 -0.820 0.000 1.302 109 G CA -0.264 44.108 45.100 -1.213 0.000 0.903 109 G HN 0.488 nan 8.290 nan 0.000 0.575 110 G N -0.120 108.456 108.800 -0.374 0.000 3.180 110 G HA2 0.373 4.333 3.960 -0.000 0.000 0.246 110 G HA3 0.373 4.333 3.960 -0.000 0.000 0.246 110 G C 1.551 176.464 174.900 0.022 0.000 0.939 110 G CA 0.639 45.769 45.100 0.049 0.000 1.920 110 G HN 0.759 nan 8.290 nan 0.000 0.612 111 L N 0.358 121.562 121.223 -0.032 0.000 2.051 111 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 111 L C 3.081 179.974 176.870 0.039 0.000 1.076 111 L CA 1.574 56.415 54.840 0.001 0.000 0.758 111 L CB -0.380 41.673 42.059 -0.010 0.000 0.890 111 L HN 0.459 nan 8.230 nan 0.000 0.433 112 G N -0.357 108.471 108.800 0.046 0.000 2.459 112 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 112 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 112 G C 1.382 176.336 174.900 0.090 0.000 1.183 112 G CA 0.447 45.583 45.100 0.060 0.000 0.776 112 G HN 0.160 nan 8.290 nan 0.000 0.552 113 L N 0.203 121.496 121.223 0.116 0.000 2.395 113 L HA 0.316 4.656 4.340 -0.000 0.000 0.218 113 L C 2.561 179.579 176.870 0.246 0.000 1.130 113 L CA 0.488 55.428 54.840 0.166 0.000 0.826 113 L CB -0.385 41.776 42.059 0.170 0.000 0.941 113 L HN 0.198 nan 8.230 nan 0.000 0.451 114 I N -0.880 119.824 120.570 0.224 0.000 2.277 114 I HA -0.228 3.941 4.170 -0.000 0.000 0.243 114 I C 2.218 178.452 176.117 0.195 0.000 1.094 114 I CA 0.895 62.378 61.300 0.305 0.000 1.393 114 I CB 0.072 38.189 38.000 0.195 0.000 1.078 114 I HN 0.258 nan 8.210 nan 0.000 0.417 115 E N 0.206 120.480 120.200 0.124 0.000 2.077 115 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 115 E C 1.998 178.657 176.600 0.099 0.000 0.989 115 E CA 1.377 57.836 56.400 0.098 0.000 0.800 115 E CB -0.088 29.638 29.700 0.044 0.000 0.746 115 E HN 0.451 nan 8.360 nan 0.000 0.452 116 E N 1.006 121.263 120.200 0.094 0.000 2.017 116 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 116 E C 1.938 178.569 176.600 0.053 0.000 0.997 116 E CA 1.216 57.660 56.400 0.074 0.000 0.804 116 E CB 0.060 29.813 29.700 0.089 0.000 0.757 116 E HN 0.154 nan 8.360 nan 0.000 0.448 117 N N -0.403 118.339 118.700 0.071 0.000 2.149 117 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 117 N C 1.845 177.299 175.510 -0.094 0.000 1.019 117 N CA 1.371 54.400 53.050 -0.034 0.000 0.857 117 N CB -0.365 38.047 38.487 -0.125 0.000 0.997 117 N HN 0.318 nan 8.380 nan 0.000 0.426 118 H N 0.695 119.698 119.070 -0.112 0.000 2.395 118 H HA 0.044 4.599 4.556 -0.000 0.000 0.299 118 H C 1.789 177.076 175.328 -0.069 0.000 1.070 118 H CA 1.620 57.603 56.048 -0.109 0.000 1.356 118 H CB -0.147 29.574 29.762 -0.068 0.000 1.401 118 H HN 0.004 nan 8.280 nan 0.000 0.524 119 T N -0.655 113.847 114.554 -0.086 0.000 2.746 119 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 119 T C 2.187 176.807 174.700 -0.134 0.000 1.039 119 T CA 1.614 63.651 62.100 -0.106 0.000 1.142 119 T CB -0.294 68.561 68.868 -0.021 0.000 0.866 119 T HN 0.384 nan 8.240 nan 0.000 0.444 120 S N 1.473 117.111 115.700 -0.104 0.000 2.382 120 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 120 S C 1.942 176.465 174.600 -0.128 0.000 1.027 120 S CA 0.729 58.875 58.200 -0.090 0.000 0.991 120 S CB -0.421 62.742 63.200 -0.060 0.000 0.823 120 S HN 0.366 nan 8.310 nan 0.000 0.469 121 L N 1.169 122.277 121.223 -0.192 0.000 2.109 121 L HA 0.143 4.483 4.340 -0.000 0.000 0.207 121 L C 2.101 178.845 176.870 -0.210 0.000 1.086 121 L CA 1.562 56.283 54.840 -0.198 0.000 0.760 121 L CB -0.518 41.404 42.059 -0.228 0.000 0.910 121 L HN 0.221 nan 8.230 nan 0.000 0.437 122 M N -0.391 119.032 119.600 -0.295 0.000 2.132 122 M HA -0.182 4.298 4.480 -0.000 0.000 0.263 122 M C 1.877 178.099 176.300 -0.131 0.000 1.065 122 M CA 2.211 57.373 55.300 -0.230 0.000 1.122 122 M CB -0.525 31.916 32.600 -0.266 0.000 1.365 122 M HN 0.428 nan 8.290 nan 0.000 0.411 123 N N -0.887 117.746 118.700 -0.113 0.000 2.250 123 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 123 N C 1.349 176.823 175.510 -0.060 0.000 1.017 123 N CA 0.931 53.939 53.050 -0.071 0.000 0.866 123 N CB 0.100 38.554 38.487 -0.055 0.000 0.985 123 N HN 0.355 nan 8.380 nan 0.000 0.429 124 G N -0.592 108.167 108.800 -0.068 0.000 3.829 124 G HA2 0.508 4.468 3.960 -0.000 0.000 0.279 124 G HA3 0.508 4.468 3.960 -0.000 0.000 0.279 124 G C 0.323 175.189 174.900 -0.057 0.000 1.008 124 G CA 0.104 45.172 45.100 -0.054 0.000 0.840 124 G HN 0.458 nan 8.290 nan 0.000 0.474 125 G N 0.676 109.433 108.800 -0.073 0.000 2.795 125 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.664 125 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.664 125 G C -1.161 173.696 174.900 -0.072 0.000 1.381 125 G CA -0.246 44.813 45.100 -0.068 0.000 0.853 125 G HN 0.027 nan 8.290 nan 0.000 0.545 126 P HA -0.158 nan 4.420 nan 0.000 0.221 126 P C 1.767 179.031 177.300 -0.060 0.000 1.141 126 P CA 1.373 64.434 63.100 -0.065 0.000 0.794 126 P CB -0.029 31.644 31.700 -0.046 0.000 0.764 127 R N -0.014 120.455 120.500 -0.051 0.000 2.093 127 R HA 0.007 4.347 4.340 -0.000 0.000 0.224 127 R C 1.997 178.270 176.300 -0.044 0.000 1.101 127 R CA 0.848 56.923 56.100 -0.043 0.000 0.979 127 R CB -0.440 29.839 30.300 -0.034 0.000 0.877 127 R HN 0.238 nan 8.270 nan 0.000 0.441 128 K N 0.936 121.306 120.400 -0.050 0.000 2.360 128 K HA -0.010 4.310 4.320 -0.000 0.000 0.201 128 K C 1.053 177.623 176.600 -0.050 0.000 1.046 128 K CA 0.489 56.749 56.287 -0.045 0.000 0.945 128 K CB -0.323 32.146 32.500 -0.052 0.000 0.750 128 K HN 0.220 nan 8.250 nan 0.000 0.464 129 I N 2.031 122.557 120.570 -0.072 0.000 2.618 129 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 129 I C 0.971 177.068 176.117 -0.033 0.000 1.146 129 I CA -0.056 61.192 61.300 -0.087 0.000 1.425 129 I CB 0.588 38.504 38.000 -0.140 0.000 1.383 129 I HN -0.060 nan 8.210 nan 0.000 0.562 130 S N 8.472 124.184 115.700 0.020 0.000 2.564 130 S HA 0.216 4.686 4.470 -0.000 0.000 0.278 130 S C -1.059 173.547 174.600 0.009 0.000 1.333 130 S CA -1.227 57.000 58.200 0.046 0.000 1.048 130 S CB 0.812 64.108 63.200 0.160 0.000 0.900 130 S HN 0.489 nan 8.310 nan 0.000 0.505 131 P HA 0.003 nan 4.420 nan 0.000 0.230 131 P C 0.313 177.433 177.300 -0.300 0.000 1.158 131 P CA 0.857 63.783 63.100 -0.290 0.000 0.769 131 P CB -0.099 31.294 31.700 -0.512 0.000 0.807 132 F N -2.433 117.585 119.950 0.113 0.000 2.695 132 F HA 0.199 4.726 4.527 0.000 0.000 0.303 132 F C 1.942 177.817 175.800 0.125 0.000 1.091 132 F CA -0.928 57.132 58.000 0.100 0.000 1.300 132 F CB -1.050 37.999 39.000 0.082 0.000 1.071 132 F HN -0.216 nan 8.300 nan 0.000 0.578 133 F N 1.076 121.116 119.950 0.151 0.000 2.045 133 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 133 F C 2.077 177.945 175.800 0.113 0.000 1.114 133 F CA 2.005 60.074 58.000 0.115 0.000 1.207 133 F CB -0.778 38.263 39.000 0.070 0.000 0.964 133 F HN -0.156 nan 8.300 nan 0.000 0.486 134 V N 2.118 121.874 119.914 -0.264 0.000 2.223 134 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 134 V C -0.302 175.691 176.094 -0.167 0.000 1.045 134 V CA 2.603 64.694 62.300 -0.348 0.000 1.000 134 V CB -2.329 29.426 31.823 -0.113 0.000 0.635 134 V HN 0.290 nan 8.190 nan 0.000 0.445 135 P HA -0.105 nan 4.420 nan 0.000 0.228 135 P C 1.614 178.946 177.300 0.053 0.000 1.151 135 P CA 1.916 65.031 63.100 0.024 0.000 0.770 135 P CB -0.102 31.645 31.700 0.077 0.000 0.786 136 S N -1.478 114.254 115.700 0.055 0.000 2.503 136 S HA 0.003 4.473 4.470 -0.000 0.000 0.217 136 S C 1.660 176.306 174.600 0.076 0.000 0.999 136 S CA 1.036 59.277 58.200 0.069 0.000 0.914 136 S CB -1.158 62.114 63.200 0.120 0.000 0.782 136 S HN 0.285 nan 8.310 nan 0.000 0.520 137 T N 0.496 115.058 114.554 0.014 0.000 2.999 137 T HA 0.374 4.723 4.350 -0.000 0.000 0.247 137 T C 0.771 175.547 174.700 0.127 0.000 1.012 137 T CA -0.054 62.083 62.100 0.063 0.000 1.048 137 T CB -0.941 67.827 68.868 -0.165 0.000 1.020 137 T HN 0.578 nan 8.240 nan 0.000 0.478 138 I N 1.245 121.837 120.570 0.036 0.000 2.648 138 I HA 0.299 4.469 4.170 -0.000 0.000 0.284 138 I C 1.565 177.809 176.117 0.212 0.000 1.153 138 I CA -0.753 60.580 61.300 0.055 0.000 1.426 138 I CB 0.658 38.647 38.000 -0.020 0.000 1.381 138 I HN -0.188 nan 8.210 nan 0.000 0.571 139 V N 4.935 124.936 119.914 0.146 0.000 2.527 139 V HA -0.292 3.828 4.120 -0.000 0.000 0.255 139 V C 2.187 178.417 176.094 0.226 0.000 1.081 139 V CA 2.471 64.887 62.300 0.194 0.000 1.092 139 V CB -1.381 30.462 31.823 0.034 0.000 0.673 139 V HN 1.079 nan 8.190 nan 0.000 0.470 140 N N -1.124 117.653 118.700 0.128 0.000 2.336 140 N HA -0.044 4.696 4.740 -0.000 0.000 0.189 140 N C 1.322 176.863 175.510 0.052 0.000 1.113 140 N CA 0.271 53.368 53.050 0.079 0.000 0.858 140 N CB 0.008 38.517 38.487 0.036 0.000 0.970 140 N HN 0.301 nan 8.380 nan 0.000 0.471 141 M N 0.495 120.133 119.600 0.063 0.000 2.630 141 M HA 0.049 4.529 4.480 -0.000 0.000 0.254 141 M C 1.543 177.865 176.300 0.036 0.000 1.092 141 M CA 0.264 55.569 55.300 0.008 0.000 1.087 141 M CB -0.508 32.104 32.600 0.020 0.000 1.453 141 M HN -0.004 nan 8.290 nan 0.000 0.509 142 V N -0.060 119.859 119.914 0.008 0.000 2.379 142 V HA -0.057 4.062 4.120 -0.000 0.000 0.243 142 V C 2.630 178.754 176.094 0.050 0.000 1.035 142 V CA 1.480 63.782 62.300 0.003 0.000 1.035 142 V CB -1.147 30.655 31.823 -0.035 0.000 0.673 142 V HN 0.438 nan 8.190 nan 0.000 0.457 143 A N 0.814 123.658 122.820 0.041 0.000 1.933 143 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 143 A C 2.372 179.970 177.584 0.024 0.000 1.175 143 A CA 1.958 54.016 52.037 0.035 0.000 0.628 143 A CB -1.245 17.772 19.000 0.028 0.000 0.814 143 A HN 0.512 nan 8.150 nan 0.000 0.444 144 G N -0.769 108.027 108.800 -0.007 0.000 2.545 144 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 144 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 144 G C 1.393 176.245 174.900 -0.081 0.000 1.218 144 G CA 1.416 46.470 45.100 -0.076 0.000 0.787 144 G HN 0.715 nan 8.290 nan 0.000 0.571 145 H N -0.121 118.943 119.070 -0.009 0.000 2.387 145 H HA 0.103 4.659 4.556 -0.000 0.000 0.299 145 H C 2.671 178.020 175.328 0.034 0.000 1.090 145 H CA 1.011 57.056 56.048 -0.005 0.000 1.332 145 H CB -0.050 29.694 29.762 -0.030 0.000 1.386 145 H HN 0.225 nan 8.280 nan 0.000 0.516 146 L N -0.040 121.290 121.223 0.178 0.000 2.027 146 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 146 L C 2.760 179.751 176.870 0.201 0.000 1.074 146 L CA 1.679 56.637 54.840 0.197 0.000 0.745 146 L CB -0.653 41.488 42.059 0.137 0.000 0.898 146 L HN 0.511 nan 8.230 nan 0.000 0.433 147 T N -1.672 112.951 114.554 0.115 0.000 2.720 147 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 147 T C 1.762 176.518 174.700 0.094 0.000 1.037 147 T CA 1.362 63.518 62.100 0.094 0.000 1.144 147 T CB -0.611 68.284 68.868 0.045 0.000 0.864 147 T HN 0.229 nan 8.240 nan 0.000 0.444 148 I N 0.846 121.457 120.570 0.069 0.000 2.202 148 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 148 I C 2.915 179.060 176.117 0.046 0.000 1.091 148 I CA 1.545 62.872 61.300 0.046 0.000 1.368 148 I CB -0.473 37.542 38.000 0.026 0.000 1.058 148 I HN 0.214 nan 8.210 nan 0.000 0.410 149 M N -0.509 119.129 119.600 0.063 0.000 2.106 149 M HA -0.242 4.237 4.480 -0.000 0.000 0.259 149 M C 1.518 177.711 176.300 -0.179 0.000 1.068 149 M CA 2.191 57.464 55.300 -0.044 0.000 1.100 149 M CB -0.349 32.234 32.600 -0.029 0.000 1.351 149 M HN 0.191 nan 8.290 nan 0.000 0.404 150 Y N -0.569 119.745 120.300 0.024 0.000 2.555 150 Y HA 0.330 4.880 4.550 -0.000 0.000 0.259 150 Y C 1.330 177.242 175.900 0.020 0.000 1.179 150 Y CA -0.014 58.099 58.100 0.022 0.000 1.230 150 Y CB 0.108 38.582 38.460 0.024 0.000 1.146 150 Y HN 0.379 nan 8.280 nan 0.000 0.526 151 G N 1.611 110.478 108.800 0.112 0.000 2.356 151 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.296 151 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.296 151 G C -0.153 174.798 174.900 0.085 0.000 1.022 151 G CA 0.004 45.150 45.100 0.076 0.000 0.961 151 G HN 0.329 nan 8.290 nan 0.000 0.510 152 L N -0.932 120.349 121.223 0.096 0.000 2.331 152 L HA 0.483 4.823 4.340 -0.000 0.000 0.278 152 L C 1.610 178.505 176.870 0.042 0.000 1.106 152 L CA -0.517 54.364 54.840 0.068 0.000 0.824 152 L CB 0.956 43.053 42.059 0.063 0.000 1.142 152 L HN 0.237 nan 8.230 nan 0.000 0.443 153 R N 1.808 122.326 120.500 0.031 0.000 2.531 153 R HA 0.205 4.545 4.340 -0.000 0.000 0.316 153 R C 0.661 176.970 176.300 0.016 0.000 0.955 153 R CA -0.148 55.965 56.100 0.022 0.000 1.120 153 R CB 1.039 31.352 30.300 0.022 0.000 1.361 153 R HN 0.789 nan 8.270 nan 0.000 0.534 154 G N 2.433 111.241 108.800 0.013 0.000 2.553 154 G HA2 0.266 4.226 3.960 -0.000 0.000 0.278 154 G HA3 0.266 4.226 3.960 -0.000 0.000 0.278 154 G C -2.342 172.563 174.900 0.008 0.000 1.349 154 G CA -0.881 44.225 45.100 0.009 0.000 1.037 154 G HN -0.142 nan 8.290 nan 0.000 0.508 155 P HA 0.183 nan 4.420 nan 0.000 0.264 155 P C -0.465 176.837 177.300 0.003 0.000 1.183 155 P CA 0.352 63.455 63.100 0.005 0.000 0.763 155 P CB 1.059 32.763 31.700 0.007 0.000 0.807 156 S N 3.223 118.923 115.700 0.001 0.000 2.779 156 S HA 0.696 5.166 4.470 -0.000 0.000 0.293 156 S C -0.637 173.962 174.600 -0.001 0.000 1.150 156 S CA -0.695 57.506 58.200 0.002 0.000 1.057 156 S CB -0.365 62.837 63.200 0.003 0.000 1.021 156 S HN 0.369 nan 8.310 nan 0.000 0.485 157 I N 1.070 121.642 120.570 0.003 0.000 3.145 157 I HA 0.879 5.049 4.170 -0.000 0.000 0.313 157 I C -0.936 175.190 176.117 0.014 0.000 1.122 157 I CA -0.958 60.342 61.300 0.000 0.000 0.987 157 I CB 2.408 40.401 38.000 -0.011 0.000 1.236 157 I HN 0.416 nan 8.210 nan 0.000 0.453 158 S N 3.211 118.919 115.700 0.014 0.000 2.776 158 S HA 0.565 5.035 4.470 -0.000 0.000 0.284 158 S C -0.591 174.027 174.600 0.030 0.000 1.160 158 S CA -0.414 57.806 58.200 0.033 0.000 1.051 158 S CB 0.986 64.213 63.200 0.045 0.000 1.037 158 S HN 0.459 nan 8.310 nan 0.000 0.485 159 I N 2.608 123.208 120.570 0.049 0.000 2.395 159 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 159 I C 0.372 176.534 176.117 0.076 0.000 1.023 159 I CA -0.449 60.887 61.300 0.060 0.000 1.350 159 I CB 1.237 39.300 38.000 0.105 0.000 1.409 159 I HN 0.719 nan 8.210 nan 0.000 0.507 160 A N 4.072 126.930 122.820 0.063 0.000 2.802 160 A HA 0.483 4.803 4.320 -0.000 0.000 0.344 160 A C 0.242 177.877 177.584 0.085 0.000 1.215 160 A CA -0.426 51.647 52.037 0.060 0.000 0.821 160 A CB -0.116 18.901 19.000 0.029 0.000 1.099 160 A HN 0.754 nan 8.150 nan 0.000 0.479 161 T N -0.967 113.665 114.554 0.130 0.000 3.393 161 T HA 0.597 4.947 4.350 -0.000 0.000 0.255 161 T C 0.854 175.624 174.700 0.116 0.000 1.008 161 T CA 0.662 62.862 62.100 0.166 0.000 1.053 161 T CB -0.411 68.665 68.868 0.345 0.000 1.120 161 T HN 2.216 nan 8.240 nan 0.000 0.538 162 A N 0.812 123.691 122.820 0.099 0.000 5.483 162 A HA -0.311 4.009 4.320 -0.000 0.000 0.309 162 A C 2.053 179.633 177.584 -0.006 0.000 1.898 162 A CA 1.143 53.234 52.037 0.091 0.000 0.716 162 A CB -2.025 17.089 19.000 0.189 0.000 1.309 162 A HN 1.013 nan 8.150 nan 0.000 0.380 163 C N -0.908 118.327 119.300 -0.108 0.000 2.398 163 C HA -0.007 4.452 4.460 -0.000 0.000 0.282 163 C C 2.433 177.390 174.990 -0.054 0.000 1.275 163 C CA 1.693 60.666 59.018 -0.076 0.000 1.797 163 C CB -1.811 25.855 27.740 -0.123 0.000 1.991 163 C HN 0.833 nan 8.230 nan 0.000 0.505 164 T N -0.039 114.457 114.554 -0.097 0.000 3.122 164 T HA 0.026 4.375 4.350 -0.000 0.000 0.250 164 T C 1.641 176.254 174.700 -0.147 0.000 1.067 164 T CA 0.454 62.443 62.100 -0.184 0.000 0.966 164 T CB -0.048 68.649 68.868 -0.284 0.000 1.002 164 T HN 0.545 nan 8.240 nan 0.000 0.542 165 S N 1.743 117.434 115.700 -0.015 0.000 2.356 165 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 165 S C 2.516 177.138 174.600 0.036 0.000 1.032 165 S CA 1.363 59.598 58.200 0.057 0.000 1.005 165 S CB -0.768 62.467 63.200 0.058 0.000 0.867 165 S HN 0.662 nan 8.310 nan 0.000 0.449 166 G N 1.305 110.098 108.800 -0.011 0.000 2.446 166 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 166 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 166 G C 1.482 176.356 174.900 -0.045 0.000 1.168 166 G CA 1.039 46.123 45.100 -0.026 0.000 0.771 166 G HN 0.412 nan 8.290 nan 0.000 0.551 167 V N 0.355 120.223 119.914 -0.076 0.000 2.343 167 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 167 V C 2.613 178.654 176.094 -0.088 0.000 1.051 167 V CA 1.921 64.164 62.300 -0.094 0.000 1.036 167 V CB -0.564 31.196 31.823 -0.105 0.000 0.654 167 V HN 0.408 nan 8.190 nan 0.000 0.451 168 H N 0.138 119.236 119.070 0.046 0.000 2.326 168 H HA -0.069 4.486 4.556 -0.000 0.000 0.301 168 H C 2.409 177.762 175.328 0.042 0.000 1.081 168 H CA 1.498 57.636 56.048 0.150 0.000 1.334 168 H CB -0.443 29.463 29.762 0.239 0.000 1.385 168 H HN 0.393 nan 8.280 nan 0.000 0.504 169 N N 0.584 119.369 118.700 0.142 0.000 2.084 169 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 169 N C 2.220 177.706 175.510 -0.039 0.000 1.030 169 N CA 0.891 53.982 53.050 0.068 0.000 0.849 169 N CB -0.198 38.319 38.487 0.050 0.000 1.012 169 N HN 0.286 nan 8.380 nan 0.000 0.423 170 I N 0.781 121.286 120.570 -0.107 0.000 2.142 170 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 170 I C 2.496 178.406 176.117 -0.346 0.000 1.078 170 I CA 1.344 62.547 61.300 -0.161 0.000 1.343 170 I CB -0.583 37.351 38.000 -0.111 0.000 1.046 170 I HN 0.137 nan 8.210 nan 0.000 0.405 171 G N -0.374 107.991 108.800 -0.726 0.000 2.422 171 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 171 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 171 G C 1.531 175.885 174.900 -0.909 0.000 1.146 171 G CA 0.687 44.900 45.100 -1.478 0.000 0.769 171 G HN 0.407 nan 8.290 nan 0.000 0.547 172 H N 0.335 119.213 119.070 -0.321 0.000 2.470 172 H HA 0.187 4.743 4.556 -0.000 0.000 0.289 172 H C 2.852 178.143 175.328 -0.061 0.000 1.033 172 H CA 0.788 56.800 56.048 -0.060 0.000 1.331 172 H CB -0.058 29.717 29.762 0.021 0.000 1.414 172 H HN 0.401 nan 8.280 nan 0.000 0.545 173 A N 1.277 124.085 122.820 -0.019 0.000 1.902 173 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 173 A C 2.669 180.236 177.584 -0.028 0.000 1.181 173 A CA 1.545 53.572 52.037 -0.015 0.000 0.623 173 A CB -0.634 18.346 19.000 -0.034 0.000 0.818 173 A HN 0.403 nan 8.150 nan 0.000 0.443 174 A N -0.407 122.362 122.820 -0.085 0.000 1.873 174 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 174 A C 2.213 179.791 177.584 -0.010 0.000 1.186 174 A CA 1.340 53.337 52.037 -0.067 0.000 0.616 174 A CB -0.460 18.458 19.000 -0.136 0.000 0.823 174 A HN 0.383 nan 8.150 nan 0.000 0.442 175 R N -0.170 120.329 120.500 -0.002 0.000 2.091 175 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 175 R C 2.023 178.392 176.300 0.114 0.000 1.136 175 R CA 1.494 57.645 56.100 0.084 0.000 0.959 175 R CB -0.997 29.387 30.300 0.140 0.000 0.856 175 R HN 0.657 nan 8.270 nan 0.000 0.437 176 I N 0.605 121.227 120.570 0.087 0.000 2.127 176 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 176 I C 2.354 178.539 176.117 0.113 0.000 1.075 176 I CA 1.479 62.831 61.300 0.087 0.000 1.334 176 I CB -0.349 37.680 38.000 0.049 0.000 1.040 176 I HN 0.060 nan 8.210 nan 0.000 0.405 177 I N 0.747 121.357 120.570 0.067 0.000 2.127 177 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 177 I C 2.829 178.990 176.117 0.072 0.000 1.075 177 I CA 1.578 62.910 61.300 0.053 0.000 1.334 177 I CB -0.615 37.400 38.000 0.025 0.000 1.040 177 I HN 0.188 nan 8.210 nan 0.000 0.405 178 A N 0.088 122.954 122.820 0.077 0.000 1.892 178 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 178 A C 2.348 179.986 177.584 0.090 0.000 1.188 178 A CA 1.954 54.035 52.037 0.074 0.000 0.631 178 A CB -1.302 17.741 19.000 0.072 0.000 0.822 178 A HN 0.564 nan 8.150 nan 0.000 0.447 179 Y N -0.196 120.117 120.300 0.022 0.000 2.193 179 Y HA -0.006 4.544 4.550 -0.000 0.000 0.285 179 Y C 1.789 177.699 175.900 0.017 0.000 1.166 179 Y CA 2.120 60.233 58.100 0.022 0.000 1.181 179 Y CB -0.125 38.352 38.460 0.028 0.000 0.976 179 Y HN 0.530 nan 8.280 nan 0.000 0.520 180 G N -1.594 107.263 108.800 0.096 0.000 2.260 180 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.179 180 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.179 180 G C 0.787 175.745 174.900 0.097 0.000 1.002 180 G CA 0.257 45.367 45.100 0.017 0.000 0.677 180 G HN 0.370 nan 8.290 nan 0.000 0.486 181 D N 0.854 121.379 120.400 0.209 0.000 2.264 181 D HA 0.367 5.007 4.640 -0.000 0.000 0.208 181 D C 1.362 177.703 176.300 0.068 0.000 0.966 181 D CA 1.694 55.785 54.000 0.152 0.000 0.864 181 D CB 0.380 41.274 40.800 0.157 0.000 0.933 181 D HN 0.947 nan 8.370 nan 0.000 0.499 182 A N -0.359 122.489 122.820 0.047 0.000 2.602 182 A HA 0.433 4.753 4.320 -0.000 0.000 0.290 182 A C -0.384 177.178 177.584 -0.036 0.000 1.114 182 A CA -0.620 51.416 52.037 -0.001 0.000 0.683 182 A CB 1.334 20.332 19.000 -0.003 0.000 1.281 182 A HN -0.246 nan 8.150 nan 0.000 0.416 183 D N -0.958 119.378 120.400 -0.107 0.000 2.597 183 D HA 0.252 4.892 4.640 -0.000 0.000 0.261 183 D C 0.069 176.243 176.300 -0.209 0.000 1.023 183 D CA 1.168 55.039 54.000 -0.215 0.000 0.927 183 D CB 0.800 41.318 40.800 -0.469 0.000 1.168 183 D HN 0.253 nan 8.370 nan 0.000 0.491 184 V N 2.135 121.946 119.914 -0.172 0.000 2.680 184 V HA 0.503 4.623 4.120 -0.000 0.000 0.309 184 V C -0.379 175.684 176.094 -0.051 0.000 1.052 184 V CA -0.508 61.736 62.300 -0.093 0.000 0.908 184 V CB 2.450 34.227 31.823 -0.077 0.000 1.001 184 V HN 0.017 nan 8.190 nan 0.000 0.431 185 M N 3.892 123.472 119.600 -0.033 0.000 2.271 185 M HA 0.439 4.919 4.480 -0.000 0.000 0.285 185 M C -1.059 175.222 176.300 -0.031 0.000 1.059 185 M CA -0.448 54.836 55.300 -0.027 0.000 0.940 185 M CB 2.001 34.590 32.600 -0.018 0.000 1.636 185 M HN 0.365 nan 8.290 nan 0.000 0.460 186 V N 2.486 122.376 119.914 -0.040 0.000 2.385 186 V HA 0.797 4.917 4.120 -0.000 0.000 0.269 186 V C 0.365 176.441 176.094 -0.030 0.000 1.043 186 V CA -0.563 61.709 62.300 -0.048 0.000 0.906 186 V CB 0.586 32.368 31.823 -0.068 0.000 0.995 186 V HN 0.918 nan 8.190 nan 0.000 0.467 187 A N 3.704 126.505 122.820 -0.030 0.000 2.401 187 A HA 1.067 5.387 4.320 -0.000 0.000 0.310 187 A C 0.241 177.809 177.584 -0.026 0.000 1.075 187 A CA 0.076 52.100 52.037 -0.023 0.000 0.746 187 A CB 2.081 21.062 19.000 -0.031 0.000 1.277 187 A HN 1.502 nan 8.150 nan 0.000 0.425 188 G N -0.741 108.052 108.800 -0.012 0.000 2.404 188 G HA2 0.643 4.603 3.960 -0.000 0.000 0.253 188 G HA3 0.643 4.603 3.960 -0.000 0.000 0.253 188 G C -0.336 174.573 174.900 0.014 0.000 1.253 188 G CA 0.399 45.490 45.100 -0.015 0.000 0.917 188 G HN 2.071 nan 8.290 nan 0.000 0.480 189 G N -1.409 107.405 108.800 0.023 0.000 2.698 189 G HA2 0.911 4.870 3.960 -0.000 0.000 0.293 189 G HA3 0.911 4.870 3.960 -0.000 0.000 0.293 189 G C -0.995 173.957 174.900 0.088 0.000 1.437 189 G CA 0.559 45.695 45.100 0.060 0.000 0.852 189 G HN 1.986 nan 8.290 nan 0.000 0.499 190 A N 0.172 123.088 122.820 0.161 0.000 2.475 190 A HA 0.944 5.263 4.320 -0.000 0.000 0.301 190 A C -0.944 176.794 177.584 0.257 0.000 1.059 190 A CA -0.601 51.569 52.037 0.222 0.000 0.710 190 A CB 2.428 21.580 19.000 0.253 0.000 1.288 190 A HN 0.860 nan 8.150 nan 0.000 0.408 191 E N 0.347 120.682 120.200 0.225 0.000 2.352 191 E HA 0.563 4.913 4.350 -0.000 0.000 0.280 191 E C -1.473 175.219 176.600 0.152 0.000 0.930 191 E CA -0.414 56.063 56.400 0.129 0.000 0.765 191 E CB 1.529 31.255 29.700 0.043 0.000 1.219 191 E HN 0.346 nan 8.360 nan 0.000 0.434 192 K N 3.089 123.527 120.400 0.064 0.000 2.984 192 K HA 0.457 4.776 4.320 -0.000 0.000 0.211 192 K C -1.200 175.419 176.600 0.032 0.000 1.174 192 K CA 0.041 56.353 56.287 0.040 0.000 0.978 192 K CB 0.879 33.290 32.500 -0.148 0.000 1.212 192 K HN 0.509 nan 8.250 nan 0.000 0.589 193 A N 0.831 123.693 122.820 0.069 0.000 2.423 193 A HA 0.056 4.376 4.320 -0.000 0.000 0.246 193 A C 0.702 178.379 177.584 0.155 0.000 1.278 193 A CA 0.098 52.196 52.037 0.101 0.000 0.903 193 A CB -0.023 19.063 19.000 0.143 0.000 0.997 193 A HN 0.384 nan 8.150 nan 0.000 0.510 194 S N 1.120 116.923 115.700 0.172 0.000 4.069 194 S HA 0.314 4.784 4.470 -0.000 0.000 0.192 194 S C 0.465 175.307 174.600 0.404 0.000 1.441 194 S CA 0.261 58.621 58.200 0.268 0.000 0.994 194 S CB -1.259 62.100 63.200 0.266 0.000 1.456 194 S HN 0.615 nan 8.310 nan 0.000 0.458 195 T N -2.017 112.661 114.554 0.207 0.000 2.927 195 T HA 0.616 4.966 4.350 -0.000 0.000 0.286 195 T C -2.395 172.066 174.700 -0.397 0.000 1.040 195 T CA -2.078 60.016 62.100 -0.009 0.000 1.010 195 T CB 1.083 69.933 68.868 -0.030 0.000 1.177 195 T HN -0.051 nan 8.240 nan 0.000 0.546 196 P HA -0.044 nan 4.420 nan 0.000 0.215 196 P C 1.685 178.906 177.300 -0.132 0.000 1.157 196 P CA 0.474 63.114 63.100 -0.765 0.000 0.868 196 P CB -0.071 31.284 31.700 -0.575 0.000 0.788 197 L N -0.620 120.541 121.223 -0.103 0.000 2.083 197 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 197 L C 2.330 179.202 176.870 0.004 0.000 1.083 197 L CA 2.110 56.930 54.840 -0.033 0.000 0.752 197 L CB -1.803 40.228 42.059 -0.045 0.000 0.899 197 L HN -0.010 nan 8.230 nan 0.000 0.433 198 G N -1.951 106.876 108.800 0.045 0.000 2.395 198 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 198 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 198 G C 1.570 176.627 174.900 0.261 0.000 1.177 198 G CA 0.804 46.005 45.100 0.170 0.000 0.794 198 G HN 0.259 nan 8.290 nan 0.000 0.532 199 V N 1.458 121.490 119.914 0.198 0.000 2.323 199 V HA 0.006 4.126 4.120 -0.000 0.000 0.244 199 V C 3.103 179.367 176.094 0.285 0.000 1.041 199 V CA 1.963 64.407 62.300 0.239 0.000 1.025 199 V CB -0.908 31.061 31.823 0.243 0.000 0.656 199 V HN 0.413 nan 8.190 nan 0.000 0.451 200 G N -0.107 108.893 108.800 0.334 0.000 2.422 200 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.218 200 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.218 200 G C 1.587 176.520 174.900 0.055 0.000 1.140 200 G CA 0.889 46.108 45.100 0.199 0.000 0.775 200 G HN 0.573 nan 8.290 nan 0.000 0.545 201 G N 0.364 109.178 108.800 0.024 0.000 2.404 201 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 201 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 201 G C 1.523 176.344 174.900 -0.132 0.000 1.174 201 G CA 0.461 45.500 45.100 -0.102 0.000 0.780 201 G HN 0.313 nan 8.290 nan 0.000 0.537 202 F N 1.688 121.635 119.950 -0.006 0.000 2.325 202 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 202 F C 2.754 178.508 175.800 -0.076 0.000 1.090 202 F CA 0.700 58.684 58.000 -0.026 0.000 1.392 202 F CB -0.252 38.770 39.000 0.037 0.000 1.053 202 F HN 0.181 nan 8.300 nan 0.000 0.521 203 G N -0.624 108.242 108.800 0.110 0.000 2.403 203 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 203 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 203 G C 1.886 176.787 174.900 0.002 0.000 1.154 203 G CA 0.666 45.788 45.100 0.036 0.000 0.784 203 G HN 0.399 nan 8.290 nan 0.000 0.538 204 A N 0.846 123.657 122.820 -0.016 0.000 2.015 204 A HA 0.400 4.720 4.320 -0.000 0.000 0.219 204 A C 2.554 180.118 177.584 -0.034 0.000 1.163 204 A CA 1.862 53.874 52.037 -0.040 0.000 0.646 204 A CB -0.350 18.612 19.000 -0.064 0.000 0.806 204 A HN 0.683 nan 8.150 nan 0.000 0.448 205 A N -1.525 121.280 122.820 -0.026 0.000 2.218 205 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 205 A C 1.213 178.809 177.584 0.020 0.000 1.168 205 A CA 0.556 52.587 52.037 -0.010 0.000 0.804 205 A CB -0.239 18.750 19.000 -0.018 0.000 0.834 205 A HN 0.485 nan 8.150 nan 0.000 0.482 206 R N -2.893 117.613 120.500 0.010 0.000 3.776 206 R HA -0.243 4.097 4.340 -0.000 0.000 0.312 206 R C 1.017 177.319 176.300 0.003 0.000 1.181 206 R CA 0.495 56.597 56.100 0.004 0.000 0.836 206 R CB -2.256 28.052 30.300 0.012 0.000 1.324 206 R HN 0.637 nan 8.270 nan 0.000 0.501 207 A N -0.087 122.735 122.820 0.002 0.000 2.178 207 A HA 0.171 4.491 4.320 -0.000 0.000 0.211 207 A C 0.657 178.029 177.584 -0.355 0.000 1.157 207 A CA 0.389 52.414 52.037 -0.020 0.000 0.780 207 A CB 0.316 19.439 19.000 0.206 0.000 0.828 207 A HN 0.072 nan 8.150 nan 0.000 0.476 208 L N -0.366 120.630 121.223 -0.378 0.000 2.360 208 L HA 0.409 4.749 4.340 -0.000 0.000 0.271 208 L C 0.889 177.631 176.870 -0.213 0.000 1.057 208 L CA -0.176 54.375 54.840 -0.481 0.000 0.803 208 L CB 1.395 43.230 42.059 -0.374 0.000 1.207 208 L HN 0.141 nan 8.230 nan 0.000 0.445 209 S N 0.354 115.967 115.700 -0.145 0.000 2.580 209 S HA 0.242 4.712 4.470 -0.000 0.000 0.274 209 S C 0.562 175.224 174.600 0.103 0.000 1.329 209 S CA -0.153 58.077 58.200 0.049 0.000 1.036 209 S CB 0.437 63.759 63.200 0.203 0.000 0.919 209 S HN 0.684 nan 8.310 nan 0.000 0.515 210 T N 3.586 118.240 114.554 0.166 0.000 3.182 210 T HA 0.244 4.594 4.350 -0.000 0.000 0.277 210 T C 0.702 175.563 174.700 0.268 0.000 1.013 210 T CA -0.331 61.885 62.100 0.192 0.000 0.900 210 T CB -0.153 68.768 68.868 0.088 0.000 1.098 210 T HN 0.600 nan 8.240 nan 0.000 0.543 211 R N 2.562 123.235 120.500 0.288 0.000 4.559 211 R HA 0.134 4.474 4.340 -0.000 0.000 0.177 211 R C 0.961 177.209 176.300 -0.086 0.000 1.875 211 R CA -0.046 56.097 56.100 0.072 0.000 1.509 211 R CB -0.479 29.806 30.300 -0.025 0.000 1.395 211 R HN 0.293 nan 8.270 nan 0.000 0.830 212 N N 1.261 120.020 118.700 0.099 0.000 2.381 212 N HA -0.169 4.571 4.740 -0.000 0.000 0.182 212 N C 0.618 176.085 175.510 -0.072 0.000 1.025 212 N CA 1.236 54.315 53.050 0.049 0.000 0.888 212 N CB 0.142 38.738 38.487 0.182 0.000 0.965 212 N HN 0.621 nan 8.380 nan 0.000 0.438 213 D N 0.282 120.645 120.400 -0.063 0.000 2.144 213 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 213 D C 0.471 176.708 176.300 -0.104 0.000 0.978 213 D CA 0.859 54.823 54.000 -0.060 0.000 0.833 213 D CB -0.431 40.347 40.800 -0.037 0.000 0.961 213 D HN 0.162 nan 8.370 nan 0.000 0.470 214 N N 0.394 118.996 118.700 -0.163 0.000 2.790 214 N HA 0.178 4.918 4.740 -0.000 0.000 0.256 214 N C -2.249 173.055 175.510 -0.343 0.000 1.409 214 N CA -1.482 51.454 53.050 -0.189 0.000 0.799 214 N CB 1.783 40.196 38.487 -0.123 0.000 1.170 214 N HN -0.273 nan 8.380 nan 0.000 0.507 215 P HA -0.174 nan 4.420 nan 0.000 0.216 215 P C 0.682 177.740 177.300 -0.403 0.000 1.150 215 P CA 1.362 63.977 63.100 -0.808 0.000 0.843 215 P CB 0.314 31.708 31.700 -0.510 0.000 0.787 216 Q N -1.225 118.450 119.800 -0.208 0.000 2.435 216 Q HA 0.105 4.445 4.340 -0.000 0.000 0.207 216 Q C 1.848 177.800 176.000 -0.080 0.000 0.956 216 Q CA 1.271 57.014 55.803 -0.099 0.000 0.917 216 Q CB -0.793 27.906 28.738 -0.064 0.000 0.997 216 Q HN 0.208 nan 8.270 nan 0.000 0.497 217 A N -0.192 122.560 122.820 -0.115 0.000 2.252 217 A HA 0.486 4.806 4.320 -0.000 0.000 0.213 217 A C 1.994 179.540 177.584 -0.063 0.000 1.188 217 A CA 0.560 52.556 52.037 -0.069 0.000 0.863 217 A CB -0.188 18.775 19.000 -0.062 0.000 0.893 217 A HN 0.276 nan 8.150 nan 0.000 0.495 218 A N -0.060 122.692 122.820 -0.113 0.000 1.865 218 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 218 A C 1.707 179.324 177.584 0.055 0.000 1.191 218 A CA 1.634 53.653 52.037 -0.030 0.000 0.623 218 A CB -0.847 18.116 19.000 -0.062 0.000 0.826 218 A HN 0.551 nan 8.150 nan 0.000 0.444 219 S N 0.665 116.404 115.700 0.064 0.000 2.423 219 S HA 0.356 4.826 4.470 -0.000 0.000 0.302 219 S C 0.306 174.909 174.600 0.005 0.000 1.143 219 S CA -0.478 57.754 58.200 0.053 0.000 1.080 219 S CB -0.363 62.878 63.200 0.069 0.000 1.081 219 S HN 0.494 nan 8.310 nan 0.000 0.522 220 R N 3.807 124.298 120.500 -0.015 0.000 2.644 220 R HA 0.382 4.722 4.340 -0.000 0.000 0.271 220 R C -3.160 173.096 176.300 -0.073 0.000 1.687 220 R CA -1.811 54.273 56.100 -0.028 0.000 1.655 220 R CB 0.354 30.651 30.300 -0.006 0.000 1.285 220 R HN 0.285 nan 8.270 nan 0.000 0.643 221 P HA -0.143 nan 4.420 nan 0.000 0.265 221 P C 0.150 177.346 177.300 -0.174 0.000 1.187 221 P CA 0.412 63.306 63.100 -0.343 0.000 0.766 221 P CB 0.212 31.566 31.700 -0.577 0.000 0.820 222 W N -1.518 119.650 121.300 -0.219 0.000 2.323 222 W HA -0.200 4.460 4.660 -0.000 0.000 0.261 222 W C 0.311 176.696 176.519 -0.223 0.000 1.029 222 W CA 1.087 58.237 57.345 -0.323 0.000 0.499 222 W CB -2.068 26.933 29.460 -0.765 0.000 2.045 222 W HN 0.409 nan 8.180 nan 0.000 1.374 223 D N 0.352 120.769 120.400 0.029 0.000 2.329 223 D HA 0.235 4.874 4.640 -0.000 0.000 0.246 223 D C 1.295 177.610 176.300 0.026 0.000 1.111 223 D CA 0.399 54.414 54.000 0.024 0.000 0.941 223 D CB 0.881 41.690 40.800 0.015 0.000 1.169 223 D HN -0.102 nan 8.370 nan 0.000 0.441 224 K N 0.441 120.860 120.400 0.031 0.000 2.097 224 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 224 K C 0.937 177.552 176.600 0.025 0.000 1.050 224 K CA 1.075 57.380 56.287 0.031 0.000 0.938 224 K CB 0.107 32.627 32.500 0.033 0.000 0.718 224 K HN 0.484 nan 8.250 nan 0.000 0.442 225 E N 0.572 120.785 120.200 0.022 0.000 2.403 225 E HA 0.034 4.384 4.350 -0.000 0.000 0.188 225 E C -0.479 176.131 176.600 0.016 0.000 1.056 225 E CA -0.187 56.224 56.400 0.019 0.000 0.892 225 E CB 0.278 29.988 29.700 0.017 0.000 1.049 225 E HN 0.119 nan 8.360 nan 0.000 0.465 226 R N 2.282 122.788 120.500 0.011 0.000 2.585 226 R HA -0.033 4.307 4.340 -0.000 0.000 0.275 226 R C 0.195 176.505 176.300 0.016 0.000 1.018 226 R CA 0.727 56.830 56.100 0.005 0.000 1.072 226 R CB 0.242 30.533 30.300 -0.014 0.000 0.953 226 R HN 0.194 nan 8.270 nan 0.000 0.419 227 D N 1.452 121.866 120.400 0.024 0.000 2.837 227 D HA 0.204 4.844 4.640 -0.000 0.000 0.340 227 D C 0.195 176.505 176.300 0.016 0.000 1.451 227 D CA -0.155 53.861 54.000 0.026 0.000 0.798 227 D CB 0.541 41.361 40.800 0.034 0.000 1.169 227 D HN 0.722 nan 8.370 nan 0.000 0.449 228 G N 0.304 109.113 108.800 0.015 0.000 2.381 228 G HA2 0.226 4.186 3.960 -0.000 0.000 0.672 228 G HA3 0.226 4.186 3.960 -0.000 0.000 0.672 228 G C -0.626 174.280 174.900 0.010 0.000 1.324 228 G CA -0.667 44.422 45.100 -0.018 0.000 0.975 228 G HN 0.311 nan 8.290 nan 0.000 0.593 229 F N -0.701 119.264 119.950 0.025 0.000 2.368 229 F HA 0.870 5.397 4.527 -0.000 0.000 0.315 229 F C 0.236 176.045 175.800 0.015 0.000 1.145 229 F CA -1.497 56.503 58.000 -0.001 0.000 1.095 229 F CB 1.016 40.010 39.000 -0.010 0.000 1.286 229 F HN 0.461 nan 8.300 nan 0.000 0.530 230 V N 2.652 122.794 119.914 0.380 0.000 2.628 230 V HA 0.322 4.442 4.120 -0.000 0.000 0.306 230 V C -0.453 175.858 176.094 0.361 0.000 1.045 230 V CA -0.886 61.562 62.300 0.246 0.000 0.905 230 V CB 1.525 33.519 31.823 0.284 0.000 0.997 230 V HN 0.715 nan 8.190 nan 0.000 0.436 231 L N 3.673 125.022 121.223 0.209 0.000 2.380 231 L HA 0.710 5.050 4.340 -0.000 0.000 0.273 231 L C 0.619 177.570 176.870 0.135 0.000 1.138 231 L CA 0.703 55.655 54.840 0.187 0.000 0.832 231 L CB 0.928 43.062 42.059 0.125 0.000 1.124 231 L HN 0.807 nan 8.230 nan 0.000 0.454 232 G N 2.942 111.802 108.800 0.100 0.000 2.542 232 G HA2 0.568 4.528 3.960 -0.000 0.000 0.311 232 G HA3 0.568 4.528 3.960 -0.000 0.000 0.311 232 G C -1.402 173.547 174.900 0.082 0.000 1.298 232 G CA -0.524 44.632 45.100 0.094 0.000 0.973 232 G HN 0.497 nan 8.290 nan 0.000 0.487 233 D N -0.273 120.186 120.400 0.099 0.000 2.228 233 D HA 0.785 5.425 4.640 -0.000 0.000 0.247 233 D C 0.642 176.996 176.300 0.090 0.000 0.995 233 D CA 0.553 54.639 54.000 0.143 0.000 0.903 233 D CB 2.070 43.006 40.800 0.227 0.000 1.205 233 D HN 0.908 nan 8.370 nan 0.000 0.459 234 G N -0.876 108.011 108.800 0.145 0.000 2.350 234 G HA2 0.592 4.551 3.960 -0.000 0.000 0.276 234 G HA3 0.592 4.551 3.960 -0.000 0.000 0.276 234 G C -1.936 173.020 174.900 0.093 0.000 1.313 234 G CA -0.060 45.042 45.100 0.002 0.000 0.903 234 G HN 0.786 nan 8.290 nan 0.000 0.490 235 A N -1.559 121.277 122.820 0.026 0.000 2.582 235 A HA 0.944 5.264 4.320 -0.000 0.000 0.297 235 A C -0.318 177.266 177.584 -0.000 0.000 1.059 235 A CA 0.562 52.627 52.037 0.046 0.000 0.705 235 A CB 1.355 20.408 19.000 0.089 0.000 1.279 235 A HN 2.440 nan 8.150 nan 0.000 0.404 236 G N 1.219 110.007 108.800 -0.020 0.000 2.643 236 G HA2 0.632 4.592 3.960 -0.000 0.000 0.305 236 G HA3 0.632 4.592 3.960 -0.000 0.000 0.305 236 G C -1.056 173.809 174.900 -0.059 0.000 1.387 236 G CA -0.466 44.595 45.100 -0.066 0.000 0.982 236 G HN 0.490 nan 8.290 nan 0.000 0.501 237 M N 2.366 121.924 119.600 -0.070 0.000 2.326 237 M HA 0.492 4.972 4.480 -0.000 0.000 0.292 237 M C -0.931 175.313 176.300 -0.094 0.000 1.081 237 M CA -0.590 54.673 55.300 -0.063 0.000 0.919 237 M CB 1.869 34.446 32.600 -0.039 0.000 1.634 237 M HN 0.283 nan 8.290 nan 0.000 0.451 238 L N 2.276 123.447 121.223 -0.086 0.000 2.354 238 L HA 0.745 5.085 4.340 -0.000 0.000 0.269 238 L C -0.432 176.405 176.870 -0.056 0.000 1.005 238 L CA -1.193 53.591 54.840 -0.094 0.000 0.819 238 L CB 2.160 44.168 42.059 -0.084 0.000 1.311 238 L HN 0.296 nan 8.230 nan 0.000 0.423 239 V N 3.874 123.765 119.914 -0.039 0.000 2.350 239 V HA 0.381 4.501 4.120 -0.000 0.000 0.276 239 V C 0.240 176.344 176.094 0.016 0.000 1.028 239 V CA -0.247 62.044 62.300 -0.015 0.000 0.860 239 V CB 1.594 33.418 31.823 0.001 0.000 0.990 239 V HN 0.474 nan 8.190 nan 0.000 0.453 240 L N 5.577 126.806 121.223 0.009 0.000 2.334 240 L HA 0.792 5.132 4.340 -0.000 0.000 0.275 240 L C -0.018 176.870 176.870 0.031 0.000 1.036 240 L CA -0.303 54.552 54.840 0.026 0.000 0.807 240 L CB 1.720 43.783 42.059 0.006 0.000 1.231 240 L HN 0.836 nan 8.230 nan 0.000 0.438 241 E N 1.109 121.342 120.200 0.055 0.000 2.388 241 E HA 0.197 4.547 4.350 -0.000 0.000 0.280 241 E C -1.488 175.172 176.600 0.100 0.000 1.019 241 E CA -0.881 55.558 56.400 0.064 0.000 0.806 241 E CB 1.549 31.306 29.700 0.095 0.000 1.246 241 E HN 0.413 nan 8.360 nan 0.000 0.443 242 E N 2.132 122.386 120.200 0.091 0.000 2.415 242 E HA -0.071 4.279 4.350 -0.000 0.000 0.263 242 E C -0.057 176.683 176.600 0.233 0.000 0.995 242 E CA 0.151 56.632 56.400 0.134 0.000 0.915 242 E CB 0.357 30.115 29.700 0.096 0.000 0.951 242 E HN 0.641 nan 8.360 nan 0.000 0.449 243 Y N 5.045 125.384 120.300 0.064 0.000 2.030 243 Y HA -0.308 4.242 4.550 -0.000 0.000 0.272 243 Y C 1.763 177.698 175.900 0.058 0.000 1.185 243 Y CA 2.414 60.548 58.100 0.057 0.000 1.120 243 Y CB 0.048 38.534 38.460 0.042 0.000 0.955 243 Y HN 0.596 nan 8.280 nan 0.000 0.495 244 E N -1.286 118.936 120.200 0.037 0.000 2.106 244 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 244 E C 2.310 178.908 176.600 -0.002 0.000 0.984 244 E CA 1.387 57.744 56.400 -0.071 0.000 0.806 244 E CB -0.924 28.758 29.700 -0.030 0.000 0.750 244 E HN 0.663 nan 8.360 nan 0.000 0.458 245 H N 0.681 119.752 119.070 0.003 0.000 2.456 245 H HA 0.042 4.597 4.556 -0.000 0.000 0.296 245 H C 1.715 177.049 175.328 0.011 0.000 1.079 245 H CA 1.397 57.451 56.048 0.009 0.000 1.322 245 H CB 0.323 30.101 29.762 0.027 0.000 1.388 245 H HN 0.135 nan 8.280 nan 0.000 0.538 246 A N 1.282 124.163 122.820 0.102 0.000 1.843 246 A HA -0.092 4.228 4.320 -0.000 0.000 0.213 246 A C 2.504 180.071 177.584 -0.027 0.000 1.202 246 A CA 1.138 53.217 52.037 0.070 0.000 0.607 246 A CB -0.269 18.828 19.000 0.162 0.000 0.847 246 A HN 0.357 nan 8.150 nan 0.000 0.445 247 K N -0.110 120.248 120.400 -0.069 0.000 2.001 247 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 247 K C 2.132 178.666 176.600 -0.111 0.000 1.050 247 K CA 1.940 58.155 56.287 -0.119 0.000 0.934 247 K CB -0.247 32.113 32.500 -0.232 0.000 0.718 247 K HN 0.428 nan 8.250 nan 0.000 0.443 248 K N 1.011 121.335 120.400 -0.127 0.000 2.304 248 K HA -0.219 4.101 4.320 -0.000 0.000 0.204 248 K C 1.948 178.471 176.600 -0.129 0.000 1.044 248 K CA 1.531 57.744 56.287 -0.124 0.000 0.932 248 K CB 0.009 32.428 32.500 -0.136 0.000 0.735 248 K HN 0.023 nan 8.250 nan 0.000 0.468 249 R N -0.885 119.530 120.500 -0.141 0.000 2.365 249 R HA 0.096 4.435 4.340 -0.000 0.000 0.223 249 R C -0.213 176.045 176.300 -0.070 0.000 0.899 249 R CA 0.688 56.717 56.100 -0.118 0.000 1.059 249 R CB 0.566 30.774 30.300 -0.154 0.000 1.086 249 R HN 0.270 nan 8.270 nan 0.000 0.522 250 G N 1.038 109.801 108.800 -0.062 0.000 2.387 250 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.270 250 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.270 250 G C -0.417 174.463 174.900 -0.033 0.000 0.957 250 G CA 0.378 45.452 45.100 -0.044 0.000 1.352 250 G HN 0.507 nan 8.290 nan 0.000 0.457 251 A N 1.819 124.626 122.820 -0.023 0.000 2.384 251 A HA 0.919 5.239 4.320 -0.000 0.000 0.312 251 A C 0.465 178.025 177.584 -0.040 0.000 1.113 251 A CA -0.398 51.627 52.037 -0.019 0.000 0.779 251 A CB 1.007 20.013 19.000 0.010 0.000 1.307 251 A HN 1.018 nan 8.150 nan 0.000 0.436 252 K N 0.490 120.838 120.400 -0.087 0.000 2.380 252 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 252 K C -0.997 175.512 176.600 -0.153 0.000 0.990 252 K CA 0.439 56.615 56.287 -0.185 0.000 0.946 252 K CB 0.467 32.745 32.500 -0.370 0.000 0.937 252 K HN 0.455 nan 8.250 nan 0.000 0.491 253 I N 3.076 123.554 120.570 -0.154 0.000 2.517 253 I HA 0.074 4.244 4.170 -0.000 0.000 0.280 253 I C -0.175 175.913 176.117 -0.048 0.000 1.061 253 I CA -0.724 60.561 61.300 -0.026 0.000 1.091 253 I CB 0.871 38.906 38.000 0.060 0.000 1.205 253 I HN 0.666 nan 8.210 nan 0.000 0.459 254 Y N 4.772 125.068 120.300 -0.007 0.000 2.200 254 Y HA 0.079 4.629 4.550 -0.000 0.000 0.290 254 Y C 1.395 177.277 175.900 -0.031 0.000 1.137 254 Y CA 1.254 59.332 58.100 -0.037 0.000 1.163 254 Y CB 0.101 38.517 38.460 -0.073 0.000 0.988 254 Y HN 0.665 nan 8.280 nan 0.000 0.518 255 A N -1.209 121.709 122.820 0.163 0.000 2.410 255 A HA 0.428 4.747 4.320 -0.000 0.000 0.300 255 A C -1.555 176.095 177.584 0.110 0.000 1.077 255 A CA -0.856 51.246 52.037 0.109 0.000 0.610 255 A CB 0.688 19.754 19.000 0.111 0.000 1.371 255 A HN 0.004 nan 8.150 nan 0.000 0.510 256 E N 0.314 120.575 120.200 0.103 0.000 2.210 256 E HA 0.519 4.868 4.350 -0.000 0.000 0.266 256 E C -1.538 175.122 176.600 0.099 0.000 0.883 256 E CA -0.550 55.881 56.400 0.051 0.000 0.761 256 E CB 1.536 31.199 29.700 -0.062 0.000 1.156 256 E HN 0.596 nan 8.360 nan 0.000 0.412 257 L N 5.957 127.200 121.223 0.033 0.000 2.283 257 L HA 0.144 4.484 4.340 -0.000 0.000 0.287 257 L C 0.775 177.570 176.870 -0.125 0.000 1.073 257 L CA -0.140 54.613 54.840 -0.146 0.000 0.822 257 L CB 0.759 42.724 42.059 -0.156 0.000 1.186 257 L HN 0.582 nan 8.230 nan 0.000 0.436 258 V N 1.172 121.005 119.914 -0.134 0.000 3.572 258 V HA 0.543 4.663 4.120 -0.000 0.000 0.260 258 V C 0.597 176.646 176.094 -0.074 0.000 1.324 258 V CA 0.483 62.746 62.300 -0.062 0.000 1.068 258 V CB 0.309 32.146 31.823 0.023 0.000 0.837 258 V HN 0.676 nan 8.190 nan 0.000 0.450 259 G N -0.219 108.514 108.800 -0.111 0.000 2.660 259 G HA2 0.654 4.614 3.960 -0.000 0.000 0.294 259 G HA3 0.654 4.614 3.960 -0.000 0.000 0.294 259 G C -2.141 172.757 174.900 -0.002 0.000 1.369 259 G CA -0.725 44.337 45.100 -0.065 0.000 0.912 259 G HN 0.330 nan 8.290 nan 0.000 0.479 260 F N 0.644 120.503 119.950 -0.150 0.000 2.670 260 F HA 0.678 5.205 4.527 -0.000 0.000 0.332 260 F C -0.378 175.367 175.800 -0.091 0.000 1.179 260 F CA -0.912 57.003 58.000 -0.142 0.000 1.076 260 F CB 1.581 40.476 39.000 -0.175 0.000 1.322 260 F HN 0.888 nan 8.300 nan 0.000 0.515 261 G N 5.709 114.305 108.800 -0.340 0.000 2.571 261 G HA2 0.700 4.660 3.960 -0.000 0.000 0.304 261 G HA3 0.700 4.660 3.960 -0.000 0.000 0.304 261 G C -1.813 172.851 174.900 -0.393 0.000 1.314 261 G CA -0.917 43.957 45.100 -0.377 0.000 0.975 261 G HN 0.609 nan 8.290 nan 0.000 0.485 262 M N 1.071 120.478 119.600 -0.322 0.000 2.572 262 M HA 0.672 5.152 4.480 -0.000 0.000 0.299 262 M C -0.045 176.223 176.300 -0.054 0.000 1.205 262 M CA -0.733 54.495 55.300 -0.120 0.000 0.876 262 M CB 2.852 35.374 32.600 -0.129 0.000 1.728 262 M HN 0.784 nan 8.290 nan 0.000 0.458 263 S N 0.394 116.104 115.700 0.017 0.000 2.672 263 S HA 0.810 5.280 4.470 -0.000 0.000 0.271 263 S C -1.351 173.266 174.600 0.028 0.000 1.171 263 S CA -0.747 57.452 58.200 -0.003 0.000 0.817 263 S CB 2.189 65.371 63.200 -0.030 0.000 1.150 263 S HN 0.609 nan 8.310 nan 0.000 0.478 264 S N 0.115 115.822 115.700 0.011 0.000 2.548 264 S HA 0.462 4.932 4.470 -0.000 0.000 0.276 264 S C -0.378 174.232 174.600 0.016 0.000 1.129 264 S CA -0.594 57.623 58.200 0.029 0.000 0.931 264 S CB 1.812 65.030 63.200 0.031 0.000 1.068 264 S HN 0.710 nan 8.310 nan 0.000 0.480 265 D N 2.330 122.748 120.400 0.030 0.000 2.084 265 D HA 0.095 4.735 4.640 -0.000 0.000 0.196 265 D C 1.222 177.575 176.300 0.089 0.000 0.985 265 D CA 1.538 55.561 54.000 0.039 0.000 0.826 265 D CB -0.211 40.634 40.800 0.076 0.000 0.978 265 D HN 0.923 nan 8.370 nan 0.000 0.456 266 A N -1.103 121.781 122.820 0.107 0.000 2.846 266 A HA -0.271 4.049 4.320 -0.000 0.000 0.287 266 A C 0.487 178.174 177.584 0.172 0.000 1.469 266 A CA 1.383 53.482 52.037 0.104 0.000 0.757 266 A CB -2.303 16.737 19.000 0.067 0.000 1.033 266 A HN 0.466 nan 8.150 nan 0.000 0.516 267 Y N -1.165 119.166 120.300 0.052 0.000 2.972 267 Y HA 0.535 5.085 4.550 -0.000 0.000 0.229 267 Y C 0.724 176.711 175.900 0.144 0.000 0.980 267 Y CA 1.360 59.508 58.100 0.081 0.000 1.475 267 Y CB 0.538 39.046 38.460 0.079 0.000 1.459 267 Y HN 0.776 nan 8.280 nan 0.000 0.460 268 H N -0.097 119.033 119.070 0.100 0.000 3.012 268 H HA 0.278 4.834 4.556 -0.000 0.000 0.367 268 H C 0.806 176.196 175.328 0.104 0.000 1.211 268 H CA -0.230 55.819 56.048 0.002 0.000 1.139 268 H CB 1.398 31.143 29.762 -0.028 0.000 1.838 268 H HN 0.261 nan 8.280 nan 0.000 0.550 269 M N 1.121 120.337 119.600 -0.639 0.000 2.358 269 M HA -0.008 4.472 4.480 -0.000 0.000 0.264 269 M C 0.104 176.340 176.300 -0.106 0.000 1.064 269 M CA 2.420 57.518 55.300 -0.337 0.000 1.093 269 M CB -0.192 32.205 32.600 -0.339 0.000 1.401 269 M HN 0.606 nan 8.290 nan 0.000 0.440 270 T N -3.392 111.148 114.554 -0.023 0.000 3.250 270 T HA 0.241 4.591 4.350 -0.000 0.000 0.265 270 T C 0.761 175.757 174.700 0.492 0.000 0.973 270 T CA 0.060 62.357 62.100 0.329 0.000 1.040 270 T CB -0.202 68.813 68.868 0.245 0.000 1.167 270 T HN 0.347 nan 8.240 nan 0.000 0.471 271 S N 4.191 120.297 115.700 0.677 0.000 2.580 271 S HA 0.531 5.001 4.470 -0.000 0.000 0.274 271 S C -2.493 172.357 174.600 0.416 0.000 1.329 271 S CA -0.931 57.536 58.200 0.444 0.000 1.036 271 S CB 0.609 63.975 63.200 0.278 0.000 0.919 271 S HN 0.398 nan 8.310 nan 0.000 0.515 272 P HA 0.478 nan 4.420 nan 0.000 0.283 272 P C -2.989 174.224 177.300 -0.145 0.000 1.271 272 P CA -2.474 60.678 63.100 0.086 0.000 0.841 272 P CB -0.261 31.467 31.700 0.048 0.000 1.122 273 P HA 0.166 nan 4.420 nan 0.000 0.271 273 P C 0.873 177.949 177.300 -0.373 0.000 1.216 273 P CA 0.164 62.714 63.100 -0.917 0.000 0.771 273 P CB 0.471 31.712 31.700 -0.764 0.000 0.864 274 E N 1.513 121.554 120.200 -0.265 0.000 2.219 274 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 274 E C 1.625 178.173 176.600 -0.086 0.000 0.998 274 E CA 1.105 57.449 56.400 -0.093 0.000 0.818 274 E CB -0.176 29.503 29.700 -0.036 0.000 0.741 274 E HN 0.582 nan 8.360 nan 0.000 0.477 275 N N -0.323 118.291 118.700 -0.143 0.000 2.018 275 N HA -0.199 4.541 4.740 -0.000 0.000 0.196 275 N C 1.230 176.680 175.510 -0.099 0.000 1.043 275 N CA 1.528 54.511 53.050 -0.112 0.000 0.856 275 N CB 0.000 38.397 38.487 -0.150 0.000 1.042 275 N HN 0.212 nan 8.380 nan 0.000 0.423 276 G N -1.164 107.549 108.800 -0.145 0.000 2.132 276 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.234 276 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.234 276 G C 0.750 175.547 174.900 -0.172 0.000 0.989 276 G CA 0.687 45.698 45.100 -0.149 0.000 0.676 276 G HN 0.642 nan 8.290 nan 0.000 0.522 277 A N 0.109 122.836 122.820 -0.155 0.000 1.917 277 A HA 0.221 4.541 4.320 -0.000 0.000 0.219 277 A C 2.823 180.318 177.584 -0.148 0.000 1.182 277 A CA 2.560 54.521 52.037 -0.127 0.000 0.633 277 A CB -1.003 17.938 19.000 -0.099 0.000 0.819 277 A HN 1.691 nan 8.150 nan 0.000 0.448 278 G N -0.558 108.133 108.800 -0.180 0.000 2.480 278 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 278 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 278 G C 1.819 176.546 174.900 -0.288 0.000 1.200 278 G CA 1.719 46.706 45.100 -0.188 0.000 0.782 278 G HN 0.877 nan 8.290 nan 0.000 0.554 279 A N 1.222 123.716 122.820 -0.542 0.000 1.908 279 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 279 A C 2.852 180.250 177.584 -0.310 0.000 1.181 279 A CA 2.620 54.136 52.037 -0.869 0.000 0.627 279 A CB -0.956 17.202 19.000 -1.403 0.000 0.818 279 A HN 0.930 nan 8.150 nan 0.000 0.445 280 A N -0.367 122.331 122.820 -0.203 0.000 1.865 280 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 280 A C 2.240 179.773 177.584 -0.085 0.000 1.191 280 A CA 1.626 53.604 52.037 -0.099 0.000 0.623 280 A CB -0.758 18.192 19.000 -0.084 0.000 0.826 280 A HN 0.553 nan 8.150 nan 0.000 0.444 281 L N -0.875 120.290 121.223 -0.096 0.000 2.013 281 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 281 L C 2.953 179.784 176.870 -0.064 0.000 1.073 281 L CA 1.622 56.416 54.840 -0.077 0.000 0.753 281 L CB -0.446 41.569 42.059 -0.073 0.000 0.890 281 L HN 0.466 nan 8.230 nan 0.000 0.432 282 A N -0.539 122.252 122.820 -0.048 0.000 1.898 282 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 282 A C 2.165 179.761 177.584 0.020 0.000 1.181 282 A CA 1.816 53.854 52.037 0.000 0.000 0.620 282 A CB -0.417 18.637 19.000 0.090 0.000 0.819 282 A HN 0.471 nan 8.150 nan 0.000 0.442 283 M N -0.523 119.105 119.600 0.046 0.000 2.099 283 M HA -0.099 4.380 4.480 -0.000 0.000 0.262 283 M C 2.557 178.826 176.300 -0.051 0.000 1.067 283 M CA 1.380 56.701 55.300 0.036 0.000 1.124 283 M CB -0.448 32.196 32.600 0.074 0.000 1.353 283 M HN 0.448 nan 8.290 nan 0.000 0.410 284 A N 1.092 123.866 122.820 -0.076 0.000 1.908 284 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 284 A C 1.851 179.379 177.584 -0.094 0.000 1.181 284 A CA 2.010 53.986 52.037 -0.102 0.000 0.627 284 A CB -0.849 18.094 19.000 -0.095 0.000 0.818 284 A HN 0.508 nan 8.150 nan 0.000 0.445 285 N N 0.387 119.035 118.700 -0.086 0.000 2.244 285 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 285 N C 1.791 177.239 175.510 -0.103 0.000 1.016 285 N CA 1.404 54.396 53.050 -0.098 0.000 0.866 285 N CB -0.570 37.849 38.487 -0.115 0.000 0.980 285 N HN 0.494 nan 8.380 nan 0.000 0.430 286 A N 1.228 123.994 122.820 -0.089 0.000 1.930 286 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 286 A C 2.360 179.889 177.584 -0.092 0.000 1.175 286 A CA 0.725 52.717 52.037 -0.074 0.000 0.627 286 A CB -0.606 18.375 19.000 -0.033 0.000 0.815 286 A HN 0.160 nan 8.150 nan 0.000 0.443 287 L N -1.005 120.153 121.223 -0.108 0.000 1.994 287 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 287 L C 2.776 179.570 176.870 -0.126 0.000 1.071 287 L CA 1.893 56.649 54.840 -0.140 0.000 0.745 287 L CB -0.504 41.458 42.059 -0.161 0.000 0.892 287 L HN 0.471 nan 8.230 nan 0.000 0.431 288 R N 0.220 120.656 120.500 -0.107 0.000 2.117 288 R HA -0.255 4.085 4.340 -0.000 0.000 0.243 288 R C 1.930 178.183 176.300 -0.079 0.000 1.143 288 R CA 2.239 58.285 56.100 -0.088 0.000 0.968 288 R CB -0.280 29.973 30.300 -0.079 0.000 0.863 288 R HN 0.328 nan 8.270 nan 0.000 0.444 289 D N -0.387 119.965 120.400 -0.080 0.000 2.117 289 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 289 D C 1.685 177.948 176.300 -0.063 0.000 0.982 289 D CA 1.488 55.450 54.000 -0.064 0.000 0.828 289 D CB -0.004 40.760 40.800 -0.061 0.000 0.967 289 D HN 0.382 nan 8.370 nan 0.000 0.464 290 A N -0.513 122.254 122.820 -0.089 0.000 1.968 290 A HA 0.327 4.646 4.320 -0.000 0.000 0.217 290 A C 1.845 179.366 177.584 -0.104 0.000 1.169 290 A CA 1.379 53.353 52.037 -0.105 0.000 0.638 290 A CB -0.615 18.282 19.000 -0.172 0.000 0.812 290 A HN 0.574 nan 8.150 nan 0.000 0.446 291 G N -0.691 108.043 108.800 -0.110 0.000 2.255 291 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.239 291 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.239 291 G C 0.001 174.829 174.900 -0.119 0.000 1.083 291 G CA 0.352 45.398 45.100 -0.090 0.000 0.826 291 G HN 1.470 nan 8.290 nan 0.000 0.493 292 I N -4.728 115.736 120.570 -0.177 0.000 3.322 292 I HA 0.936 5.105 4.170 -0.000 0.000 0.313 292 I C -0.168 175.845 176.117 -0.174 0.000 1.129 292 I CA -1.643 59.529 61.300 -0.214 0.000 0.963 292 I CB 1.595 39.321 38.000 -0.456 0.000 1.273 292 I HN -0.003 nan 8.210 nan 0.000 0.473 293 E N 0.594 120.706 120.200 -0.146 0.000 2.235 293 E HA 0.483 4.833 4.350 -0.000 0.000 0.265 293 E C 0.428 176.947 176.600 -0.134 0.000 0.940 293 E CA -0.736 55.590 56.400 -0.123 0.000 0.819 293 E CB 2.069 31.725 29.700 -0.074 0.000 1.206 293 E HN 0.754 nan 8.360 nan 0.000 0.409 294 A N 1.258 123.959 122.820 -0.198 0.000 2.024 294 A HA -0.208 4.111 4.320 -0.000 0.000 0.220 294 A C 2.115 179.712 177.584 0.021 0.000 1.164 294 A CA 2.183 54.025 52.037 -0.325 0.000 0.643 294 A CB -0.641 17.907 19.000 -0.753 0.000 0.806 294 A HN 0.568 nan 8.150 nan 0.000 0.451 295 S N -0.791 114.945 115.700 0.059 0.000 2.453 295 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 295 S C 1.603 176.293 174.600 0.149 0.000 1.005 295 S CA 1.142 59.425 58.200 0.140 0.000 0.949 295 S CB -0.395 62.852 63.200 0.079 0.000 0.774 295 S HN 0.668 nan 8.310 nan 0.000 0.510 296 Q N 0.176 120.048 119.800 0.121 0.000 2.466 296 Q HA 0.358 4.698 4.340 -0.000 0.000 0.210 296 Q C -0.501 175.670 176.000 0.285 0.000 0.961 296 Q CA 0.197 56.114 55.803 0.189 0.000 0.953 296 Q CB -0.049 28.774 28.738 0.143 0.000 1.011 296 Q HN 0.610 nan 8.270 nan 0.000 0.516 297 I N -0.193 120.532 120.570 0.258 0.000 2.330 297 I HA 0.161 4.330 4.170 -0.000 0.000 0.289 297 I C 1.105 177.361 176.117 0.233 0.000 1.001 297 I CA -0.365 61.109 61.300 0.290 0.000 1.193 297 I CB 1.689 39.879 38.000 0.316 0.000 1.345 297 I HN 0.074 nan 8.210 nan 0.000 0.461 298 G N 5.974 114.905 108.800 0.217 0.000 2.408 298 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 298 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 298 G C -0.099 174.927 174.900 0.210 0.000 1.156 298 G CA 0.669 45.871 45.100 0.171 0.000 0.793 298 G HN 0.474 nan 8.290 nan 0.000 0.535 299 Y N -0.285 120.065 120.300 0.083 0.000 2.457 299 Y HA 0.606 5.156 4.550 -0.000 0.000 0.343 299 Y C -1.458 174.503 175.900 0.102 0.000 0.994 299 Y CA -1.960 56.181 58.100 0.068 0.000 1.031 299 Y CB 2.107 40.622 38.460 0.091 0.000 1.246 299 Y HN -0.096 nan 8.280 nan 0.000 0.449 300 V N 5.850 125.550 119.914 -0.357 0.000 2.407 300 V HA 0.267 4.387 4.120 -0.000 0.000 0.291 300 V C -0.699 174.995 176.094 -0.667 0.000 1.018 300 V CA -0.996 61.085 62.300 -0.364 0.000 0.842 300 V CB 1.473 33.239 31.823 -0.095 0.000 0.996 300 V HN 0.767 nan 8.190 nan 0.000 0.426 301 N N 4.136 122.442 118.700 -0.655 0.000 2.439 301 N HA 0.511 5.251 4.740 -0.000 0.000 0.243 301 N C 0.307 175.763 175.510 -0.091 0.000 1.088 301 N CA -0.057 52.780 53.050 -0.355 0.000 0.940 301 N CB 0.985 39.361 38.487 -0.185 0.000 1.180 301 N HN 0.891 nan 8.380 nan 0.000 0.505 302 A N 2.509 125.369 122.820 0.066 0.000 2.475 302 A HA 0.010 4.329 4.320 -0.000 0.000 0.239 302 A C 1.099 178.667 177.584 -0.026 0.000 1.087 302 A CA 0.105 52.228 52.037 0.145 0.000 0.779 302 A CB 0.090 19.409 19.000 0.532 0.000 1.036 302 A HN 0.975 nan 8.150 nan 0.000 0.506 303 H N 0.628 119.569 119.070 -0.215 0.000 2.343 303 H HA 0.161 4.717 4.556 -0.000 0.000 0.303 303 H C 1.510 176.658 175.328 -0.301 0.000 1.068 303 H CA 1.496 57.330 56.048 -0.357 0.000 1.359 303 H CB -0.651 28.840 29.762 -0.453 0.000 1.402 303 H HN 1.170 nan 8.280 nan 0.000 0.515 304 G N 0.907 109.527 108.800 -0.300 0.000 2.101 304 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.247 304 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.247 304 G C 0.988 175.514 174.900 -0.623 0.000 0.740 304 G CA 0.968 45.680 45.100 -0.646 0.000 1.130 304 G HN 0.778 nan 8.290 nan 0.000 0.342 305 T N -1.896 112.316 114.554 -0.570 0.000 3.081 305 T HA 0.380 4.730 4.350 -0.000 0.000 0.255 305 T C 1.348 175.932 174.700 -0.193 0.000 1.113 305 T CA 1.066 62.889 62.100 -0.462 0.000 1.082 305 T CB 0.317 68.887 68.868 -0.496 0.000 0.939 305 T HN 1.829 nan 8.240 nan 0.000 0.506 306 S N 0.836 116.385 115.700 -0.251 0.000 3.777 306 S HA -0.123 4.347 4.470 -0.000 0.000 0.296 306 S C 0.156 174.728 174.600 -0.047 0.000 1.173 306 S CA 0.532 58.639 58.200 -0.156 0.000 0.824 306 S CB -2.105 61.052 63.200 -0.071 0.000 0.932 306 S HN 1.260 nan 8.310 nan 0.000 0.571 307 T N -0.880 113.651 114.554 -0.040 0.000 2.823 307 T HA 0.695 5.045 4.350 -0.000 0.000 0.279 307 T C -1.510 173.197 174.700 0.011 0.000 0.998 307 T CA -1.743 60.382 62.100 0.041 0.000 0.994 307 T CB 1.832 70.784 68.868 0.139 0.000 0.960 307 T HN -0.061 nan 8.240 nan 0.000 0.448 308 P HA -0.116 nan 4.420 nan 0.000 0.212 308 P C 1.755 179.086 177.300 0.052 0.000 1.178 308 P CA 1.868 64.989 63.100 0.036 0.000 0.915 308 P CB -0.228 31.498 31.700 0.045 0.000 0.788 309 A N -0.714 122.149 122.820 0.071 0.000 1.972 309 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 309 A C 2.439 180.076 177.584 0.089 0.000 1.169 309 A CA 2.024 54.110 52.037 0.081 0.000 0.635 309 A CB -1.794 17.262 19.000 0.093 0.000 0.810 309 A HN 0.302 nan 8.150 nan 0.000 0.446 310 G N -0.048 108.809 108.800 0.095 0.000 2.404 310 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 310 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 310 G C 1.088 176.034 174.900 0.076 0.000 1.174 310 G CA 1.123 46.288 45.100 0.108 0.000 0.780 310 G HN 0.460 nan 8.290 nan 0.000 0.537 311 D N 0.849 121.229 120.400 -0.033 0.000 2.144 311 D HA -0.042 4.598 4.640 -0.000 0.000 0.200 311 D C 2.469 178.909 176.300 0.234 0.000 0.978 311 D CA 0.760 54.679 54.000 -0.135 0.000 0.833 311 D CB -0.119 40.346 40.800 -0.558 0.000 0.961 311 D HN 0.334 nan 8.370 nan 0.000 0.470 312 K N 0.907 121.416 120.400 0.181 0.000 2.057 312 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 312 K C 2.202 178.908 176.600 0.177 0.000 1.050 312 K CA 1.073 57.482 56.287 0.204 0.000 0.935 312 K CB -0.099 32.479 32.500 0.129 0.000 0.715 312 K HN 0.032 nan 8.250 nan 0.000 0.439 313 A N 2.005 124.902 122.820 0.127 0.000 1.877 313 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 313 A C 2.171 179.827 177.584 0.120 0.000 1.186 313 A CA 1.840 53.920 52.037 0.072 0.000 0.620 313 A CB -0.558 18.452 19.000 0.016 0.000 0.822 313 A HN 0.448 nan 8.150 nan 0.000 0.443 314 E N -0.171 120.169 120.200 0.232 0.000 2.085 314 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 314 E C 2.119 178.953 176.600 0.390 0.000 0.994 314 E CA 1.251 57.869 56.400 0.364 0.000 0.801 314 E CB -0.303 29.728 29.700 0.551 0.000 0.743 314 E HN 0.529 nan 8.360 nan 0.000 0.453 315 A N 0.703 123.802 122.820 0.465 0.000 1.858 315 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 315 A C 2.189 179.887 177.584 0.190 0.000 1.190 315 A CA 1.834 54.078 52.037 0.344 0.000 0.617 315 A CB -0.832 18.391 19.000 0.372 0.000 0.827 315 A HN 0.320 nan 8.150 nan 0.000 0.443 316 Q N -0.111 119.785 119.800 0.160 0.000 2.133 316 Q HA -0.175 4.165 4.340 -0.000 0.000 0.208 316 Q C 2.046 178.090 176.000 0.074 0.000 0.991 316 Q CA 2.469 58.326 55.803 0.091 0.000 0.867 316 Q CB -0.707 28.067 28.738 0.060 0.000 0.911 316 Q HN 0.609 nan 8.270 nan 0.000 0.417 317 A N -1.154 121.713 122.820 0.078 0.000 1.968 317 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 317 A C 2.233 179.894 177.584 0.128 0.000 1.169 317 A CA 1.321 53.389 52.037 0.052 0.000 0.638 317 A CB -0.433 18.554 19.000 -0.022 0.000 0.812 317 A HN 0.251 nan 8.150 nan 0.000 0.446 318 V N 0.117 120.145 119.914 0.190 0.000 2.379 318 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 318 V C 2.384 178.642 176.094 0.274 0.000 1.044 318 V CA 2.186 64.651 62.300 0.276 0.000 1.036 318 V CB -0.617 31.290 31.823 0.141 0.000 0.664 318 V HN 0.514 nan 8.190 nan 0.000 0.453 319 K N -0.229 120.251 120.400 0.133 0.000 2.057 319 K HA -0.141 4.178 4.320 -0.000 0.000 0.207 319 K C 2.272 178.932 176.600 0.101 0.000 1.049 319 K CA 1.813 58.157 56.287 0.095 0.000 0.931 319 K CB -0.400 32.130 32.500 0.050 0.000 0.714 319 K HN 0.410 nan 8.250 nan 0.000 0.440 320 T N 1.415 116.016 114.554 0.078 0.000 2.788 320 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 320 T C 1.650 176.356 174.700 0.010 0.000 1.044 320 T CA 0.834 62.954 62.100 0.034 0.000 1.139 320 T CB 0.059 68.933 68.868 0.010 0.000 0.867 320 T HN 0.074 nan 8.240 nan 0.000 0.454 321 I N -0.389 120.191 120.570 0.016 0.000 3.030 321 I HA 0.143 4.313 4.170 -0.000 0.000 0.270 321 I C 1.342 177.292 176.117 -0.278 0.000 1.211 321 I CA 0.927 62.144 61.300 -0.139 0.000 1.479 321 I CB -0.613 37.264 38.000 -0.205 0.000 1.105 321 I HN 0.247 nan 8.210 nan 0.000 0.447 322 F N 0.456 120.395 119.950 -0.017 0.000 2.437 322 F HA 0.305 4.832 4.527 -0.000 0.000 0.288 322 F C 2.106 177.893 175.800 -0.022 0.000 1.085 322 F CA 0.846 58.833 58.000 -0.021 0.000 1.430 322 F CB -0.542 38.441 39.000 -0.027 0.000 1.120 322 F HN 0.174 nan 8.300 nan 0.000 0.556 323 G N 0.753 109.638 108.800 0.141 0.000 2.815 323 G HA2 -0.483 3.477 3.960 -0.000 0.000 0.326 323 G HA3 -0.483 3.477 3.960 -0.000 0.000 0.326 323 G C 1.165 176.105 174.900 0.066 0.000 1.191 323 G CA 1.051 46.193 45.100 0.071 0.000 0.965 323 G HN 0.262 nan 8.290 nan 0.000 0.564 324 E N 0.963 121.197 120.200 0.055 0.000 2.051 324 E HA 0.258 4.608 4.350 -0.000 0.000 0.192 324 E C 2.920 179.546 176.600 0.044 0.000 0.991 324 E CA 2.023 58.446 56.400 0.039 0.000 0.799 324 E CB -0.646 29.073 29.700 0.032 0.000 0.748 324 E HN 1.011 nan 8.360 nan 0.000 0.449 325 A N 0.683 123.557 122.820 0.090 0.000 2.272 325 A HA -0.091 4.229 4.320 -0.000 0.000 0.213 325 A C 2.146 179.726 177.584 -0.006 0.000 1.183 325 A CA 1.337 53.428 52.037 0.090 0.000 0.719 325 A CB -0.880 18.261 19.000 0.234 0.000 0.771 325 A HN 0.298 nan 8.150 nan 0.000 0.484 326 A N 0.505 123.325 122.820 -0.000 0.000 1.906 326 A HA -0.302 4.018 4.320 -0.000 0.000 0.222 326 A C 2.439 179.901 177.584 -0.203 0.000 1.282 326 A CA 2.897 54.877 52.037 -0.095 0.000 0.675 326 A CB -1.067 17.902 19.000 -0.052 0.000 0.838 326 A HN 1.108 nan 8.150 nan 0.000 0.469 327 S N -1.958 113.652 115.700 -0.149 0.000 2.503 327 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 327 S C 1.729 176.241 174.600 -0.146 0.000 1.003 327 S CA 0.479 58.577 58.200 -0.170 0.000 0.910 327 S CB -0.107 63.022 63.200 -0.119 0.000 0.790 327 S HN 0.562 nan 8.310 nan 0.000 0.514 328 R N 0.818 121.254 120.500 -0.106 0.000 2.237 328 R HA 0.184 4.524 4.340 -0.000 0.000 0.219 328 R C 0.269 176.513 176.300 -0.093 0.000 1.080 328 R CA 0.353 56.411 56.100 -0.070 0.000 0.995 328 R CB -0.052 30.234 30.300 -0.023 0.000 0.875 328 R HN 0.342 nan 8.270 nan 0.000 0.462 329 V N 1.265 121.067 119.914 -0.186 0.000 2.612 329 V HA 0.295 4.415 4.120 -0.000 0.000 0.301 329 V C -0.379 175.585 176.094 -0.217 0.000 1.046 329 V CA -0.750 61.414 62.300 -0.225 0.000 0.946 329 V CB 1.758 33.288 31.823 -0.489 0.000 1.003 329 V HN 0.058 nan 8.190 nan 0.000 0.459 330 L N 6.443 127.612 121.223 -0.090 0.000 2.276 330 L HA 0.562 4.902 4.340 -0.000 0.000 0.286 330 L C -0.860 176.051 176.870 0.069 0.000 1.061 330 L CA -0.507 54.328 54.840 -0.008 0.000 0.807 330 L CB 1.536 43.644 42.059 0.081 0.000 1.177 330 L HN 0.372 nan 8.230 nan 0.000 0.429 331 V N 2.336 122.233 119.914 -0.030 0.000 2.577 331 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 331 V C -0.180 176.034 176.094 0.199 0.000 1.042 331 V CA -0.446 61.857 62.300 0.005 0.000 0.872 331 V CB 1.864 33.532 31.823 -0.259 0.000 0.998 331 V HN 0.899 nan 8.190 nan 0.000 0.423 332 S N 2.688 118.645 115.700 0.429 0.000 2.579 332 S HA 0.771 5.241 4.470 -0.000 0.000 0.272 332 S C -0.869 174.021 174.600 0.484 0.000 1.141 332 S CA -0.527 57.972 58.200 0.499 0.000 0.843 332 S CB 2.253 65.707 63.200 0.424 0.000 1.122 332 S HN 0.914 nan 8.310 nan 0.000 0.468 333 S N 1.166 117.123 115.700 0.429 0.000 2.640 333 S HA 0.445 4.915 4.470 -0.000 0.000 0.320 333 S C 0.934 175.625 174.600 0.151 0.000 1.097 333 S CA -0.045 58.288 58.200 0.221 0.000 1.092 333 S CB 0.525 63.739 63.200 0.024 0.000 0.988 333 S HN 1.027 nan 8.310 nan 0.000 0.470 334 T N 2.514 117.170 114.554 0.170 0.000 3.113 334 T HA 0.081 4.431 4.350 -0.000 0.000 0.263 334 T C 1.326 176.073 174.700 0.079 0.000 1.143 334 T CA 0.442 62.617 62.100 0.124 0.000 1.090 334 T CB -0.240 68.736 68.868 0.179 0.000 0.922 334 T HN 0.627 nan 8.240 nan 0.000 0.521 335 K N 1.732 122.149 120.400 0.028 0.000 2.362 335 K HA -0.054 4.265 4.320 -0.000 0.000 0.200 335 K C 2.638 179.232 176.600 -0.011 0.000 1.046 335 K CA 1.234 57.505 56.287 -0.027 0.000 0.952 335 K CB -0.192 32.208 32.500 -0.166 0.000 0.753 335 K HN 0.629 nan 8.250 nan 0.000 0.466 336 S N 0.455 116.152 115.700 -0.006 0.000 2.399 336 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 336 S C 1.861 176.469 174.600 0.014 0.000 1.022 336 S CA 1.060 59.261 58.200 0.001 0.000 0.983 336 S CB -0.091 63.114 63.200 0.009 0.000 0.803 336 S HN 0.222 nan 8.310 nan 0.000 0.480 337 M N -0.112 119.497 119.600 0.016 0.000 2.653 337 M HA 0.195 4.675 4.480 -0.000 0.000 0.259 337 M C 2.260 178.579 176.300 0.032 0.000 1.244 337 M CA 0.768 56.075 55.300 0.011 0.000 1.163 337 M CB 0.160 32.749 32.600 -0.017 0.000 1.309 337 M HN 0.256 nan 8.290 nan 0.000 0.509 338 T N -0.096 114.487 114.554 0.048 0.000 3.044 338 T HA 0.340 4.690 4.350 -0.000 0.000 0.255 338 T C 0.732 175.486 174.700 0.089 0.000 1.073 338 T CA 1.134 63.280 62.100 0.076 0.000 1.125 338 T CB 0.017 68.955 68.868 0.117 0.000 0.908 338 T HN 0.631 nan 8.240 nan 0.000 0.480 339 G N 0.832 109.682 108.800 0.083 0.000 2.728 339 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.294 339 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.294 339 G C -0.848 174.109 174.900 0.094 0.000 1.342 339 G CA -0.506 44.661 45.100 0.112 0.000 0.866 339 G HN 0.516 nan 8.290 nan 0.000 0.534 340 H N 0.890 119.934 119.070 -0.045 0.000 2.761 340 H HA 0.499 5.055 4.556 -0.000 0.000 0.284 340 H C 1.506 176.741 175.328 -0.154 0.000 1.105 340 H CA -1.080 54.841 56.048 -0.212 0.000 1.352 340 H CB 0.288 29.735 29.762 -0.526 0.000 1.423 340 H HN 0.403 nan 8.280 nan 0.000 0.464 341 L N 6.987 128.278 121.223 0.113 0.000 2.660 341 L HA -0.027 4.312 4.340 -0.000 0.000 0.238 341 L C 1.374 178.174 176.870 -0.117 0.000 1.161 341 L CA 0.196 55.034 54.840 -0.003 0.000 0.937 341 L CB -0.642 41.438 42.059 0.034 0.000 1.122 341 L HN 0.722 nan 8.230 nan 0.000 0.435 342 L N -0.335 120.637 121.223 -0.417 0.000 4.500 342 L HA -0.394 3.946 4.340 -0.000 0.000 0.053 342 L C 2.021 178.809 176.870 -0.136 0.000 3.487 342 L CA 1.512 56.075 54.840 -0.461 0.000 1.381 342 L CB -1.945 39.913 42.059 -0.335 0.000 3.068 342 L HN 0.338 nan 8.230 nan 0.000 0.850 343 G N -1.312 107.443 108.800 -0.074 0.000 2.448 343 G HA2 0.065 4.025 3.960 -0.000 0.000 0.219 343 G HA3 0.065 4.025 3.960 -0.000 0.000 0.219 343 G C 1.302 176.202 174.900 0.000 0.000 1.127 343 G CA 1.229 46.318 45.100 -0.018 0.000 0.766 343 G HN 0.831 nan 8.290 nan 0.000 0.552 344 A N 0.391 123.212 122.820 0.001 0.000 2.147 344 A HA 0.641 4.960 4.320 -0.000 0.000 0.211 344 A C 2.601 180.169 177.584 -0.027 0.000 1.160 344 A CA 1.295 53.334 52.037 0.003 0.000 0.781 344 A CB -0.276 18.744 19.000 0.033 0.000 0.842 344 A HN 0.557 nan 8.150 nan 0.000 0.475 345 A N 0.201 123.013 122.820 -0.013 0.000 1.884 345 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 345 A C 2.322 179.860 177.584 -0.076 0.000 1.197 345 A CA 2.132 54.162 52.037 -0.012 0.000 0.637 345 A CB -1.374 17.675 19.000 0.081 0.000 0.827 345 A HN 0.796 nan 8.150 nan 0.000 0.450 346 G N -1.432 107.327 108.800 -0.069 0.000 2.484 346 G HA2 0.145 4.105 3.960 -0.000 0.000 0.218 346 G HA3 0.145 4.105 3.960 -0.000 0.000 0.218 346 G C 1.559 176.389 174.900 -0.117 0.000 1.130 346 G CA 1.310 46.354 45.100 -0.094 0.000 0.784 346 G HN 0.806 nan 8.290 nan 0.000 0.543 347 A N 0.810 123.561 122.820 -0.115 0.000 1.840 347 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 347 A C 2.711 180.147 177.584 -0.247 0.000 1.198 347 A CA 2.225 54.182 52.037 -0.134 0.000 0.608 347 A CB -0.973 17.976 19.000 -0.085 0.000 0.839 347 A HN 0.799 nan 8.150 nan 0.000 0.443 348 V N -1.351 118.389 119.914 -0.290 0.000 2.332 348 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 348 V C 1.828 177.276 176.094 -1.078 0.000 1.055 348 V CA 2.547 64.529 62.300 -0.529 0.000 1.038 348 V CB -1.288 30.343 31.823 -0.319 0.000 0.651 348 V HN 0.614 nan 8.190 nan 0.000 0.450 349 E N 0.742 120.506 120.200 -0.727 0.000 2.268 349 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 349 E C 2.339 178.720 176.600 -0.366 0.000 0.995 349 E CA 1.193 57.252 56.400 -0.567 0.000 0.836 349 E CB -0.136 29.445 29.700 -0.198 0.000 0.763 349 E HN 0.680 nan 8.360 nan 0.000 0.491 350 S N 0.522 116.018 115.700 -0.340 0.000 2.395 350 S HA -0.009 4.460 4.470 -0.000 0.000 0.225 350 S C 1.940 176.198 174.600 -0.571 0.000 1.027 350 S CA 0.408 58.413 58.200 -0.325 0.000 0.965 350 S CB 0.029 63.160 63.200 -0.115 0.000 0.812 350 S HN 0.198 nan 8.310 nan 0.000 0.482 351 I N 0.743 121.008 120.570 -0.509 0.000 2.226 351 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 351 I C 1.964 177.852 176.117 -0.382 0.000 1.100 351 I CA 1.241 62.255 61.300 -0.477 0.000 1.374 351 I CB -0.418 37.352 38.000 -0.383 0.000 1.057 351 I HN 0.279 nan 8.210 nan 0.000 0.413 352 Y N 0.838 120.976 120.300 -0.270 0.000 2.181 352 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 352 Y C 2.947 178.739 175.900 -0.181 0.000 1.146 352 Y CA 0.665 58.632 58.100 -0.221 0.000 1.164 352 Y CB -1.577 36.974 38.460 0.151 0.000 0.982 352 Y HN 0.115 nan 8.280 nan 0.000 0.515 353 S N 0.184 115.882 115.700 -0.002 0.000 2.383 353 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 353 S C 2.131 176.624 174.600 -0.178 0.000 1.030 353 S CA 1.446 59.642 58.200 -0.006 0.000 1.002 353 S CB -0.527 62.615 63.200 -0.097 0.000 0.829 353 S HN 0.375 nan 8.310 nan 0.000 0.467 354 I N 0.979 121.276 120.570 -0.455 0.000 2.235 354 I HA -0.096 4.074 4.170 -0.000 0.000 0.241 354 I C 2.047 177.978 176.117 -0.309 0.000 1.085 354 I CA 0.924 61.966 61.300 -0.429 0.000 1.378 354 I CB -0.233 37.429 38.000 -0.563 0.000 1.076 354 I HN 0.208 nan 8.210 nan 0.000 0.415 355 L N 0.471 121.392 121.223 -0.504 0.000 2.079 355 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 355 L C 2.803 179.439 176.870 -0.390 0.000 1.081 355 L CA 1.246 55.666 54.840 -0.700 0.000 0.752 355 L CB -0.743 40.347 42.059 -1.615 0.000 0.896 355 L HN 0.270 nan 8.230 nan 0.000 0.433 356 A N 0.165 122.858 122.820 -0.212 0.000 1.908 356 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 356 A C 2.258 179.906 177.584 0.107 0.000 1.181 356 A CA 1.501 53.633 52.037 0.158 0.000 0.627 356 A CB -0.631 18.503 19.000 0.224 0.000 0.818 356 A HN 0.366 nan 8.150 nan 0.000 0.445 357 L N -1.238 120.016 121.223 0.051 0.000 2.017 357 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 357 L C 2.833 179.725 176.870 0.037 0.000 1.073 357 L CA 1.797 56.666 54.840 0.049 0.000 0.745 357 L CB -0.493 41.588 42.059 0.037 0.000 0.894 357 L HN 0.503 nan 8.230 nan 0.000 0.432 358 R N 0.382 120.894 120.500 0.019 0.000 2.082 358 R HA -0.200 4.140 4.340 -0.000 0.000 0.234 358 R C 1.398 177.740 176.300 0.069 0.000 1.136 358 R CA 2.274 58.396 56.100 0.037 0.000 0.935 358 R CB -0.146 30.174 30.300 0.034 0.000 0.842 358 R HN 0.287 nan 8.270 nan 0.000 0.430 359 D N 0.511 120.984 120.400 0.121 0.000 2.340 359 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 359 D C 0.164 176.537 176.300 0.121 0.000 1.039 359 D CA 0.273 54.373 54.000 0.166 0.000 0.866 359 D CB 0.266 41.265 40.800 0.333 0.000 0.913 359 D HN 0.189 nan 8.370 nan 0.000 0.523 360 Q N -1.266 118.591 119.800 0.096 0.000 2.436 360 Q HA -0.219 4.121 4.340 -0.000 0.000 0.264 360 Q C -0.292 175.735 176.000 0.045 0.000 1.093 360 Q CA 1.056 56.896 55.803 0.061 0.000 0.994 360 Q CB -2.101 26.660 28.738 0.038 0.000 1.434 360 Q HN 0.400 nan 8.270 nan 0.000 0.520 361 A N -0.439 122.429 122.820 0.080 0.000 2.365 361 A HA 0.738 5.058 4.320 -0.000 0.000 0.318 361 A C -0.350 177.227 177.584 -0.011 0.000 1.091 361 A CA -0.479 51.566 52.037 0.014 0.000 0.763 361 A CB 2.007 21.004 19.000 -0.006 0.000 1.248 361 A HN 0.034 nan 8.150 nan 0.000 0.442 362 V N 3.823 123.641 119.914 -0.161 0.000 2.487 362 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 362 V C -2.416 173.497 176.094 -0.301 0.000 1.028 362 V CA -1.711 60.374 62.300 -0.359 0.000 0.860 362 V CB 1.997 33.516 31.823 -0.506 0.000 0.991 362 V HN 0.817 nan 8.190 nan 0.000 0.427 363 P HA 0.321 nan 4.420 nan 0.000 0.275 363 P C -2.696 174.546 177.300 -0.095 0.000 1.228 363 P CA -1.566 61.409 63.100 -0.208 0.000 0.786 363 P CB 0.284 31.890 31.700 -0.155 0.000 0.927 364 P HA 0.157 nan 4.420 nan 0.000 0.281 364 P C -0.746 176.576 177.300 0.037 0.000 1.264 364 P CA -0.253 62.837 63.100 -0.016 0.000 0.824 364 P CB 0.514 32.194 31.700 -0.033 0.000 1.092 365 T N 2.265 116.859 114.554 0.065 0.000 2.891 365 T HA 0.381 4.731 4.350 -0.000 0.000 0.315 365 T C 0.747 175.440 174.700 -0.011 0.000 1.054 365 T CA -0.309 61.848 62.100 0.094 0.000 0.958 365 T CB -1.044 67.951 68.868 0.213 0.000 1.008 365 T HN 0.275 nan 8.240 nan 0.000 0.521 366 I N 0.464 121.032 120.570 -0.004 0.000 3.269 366 I HA 0.343 4.512 4.170 -0.000 0.000 0.287 366 I C 0.750 176.867 176.117 -0.001 0.000 1.152 366 I CA -0.540 60.759 61.300 -0.002 0.000 1.263 366 I CB 0.288 38.301 38.000 0.022 0.000 1.439 366 I HN 0.373 nan 8.210 nan 0.000 0.637 367 N N -0.040 118.694 118.700 0.056 0.000 2.863 367 N HA -0.190 4.550 4.740 -0.000 0.000 0.245 367 N C 0.026 175.565 175.510 0.048 0.000 1.001 367 N CA 1.018 54.105 53.050 0.062 0.000 0.901 367 N CB -1.143 37.359 38.487 0.024 0.000 1.124 367 N HN 0.662 nan 8.380 nan 0.000 0.582 368 L N 2.194 123.388 121.223 -0.049 0.000 2.533 368 L HA 0.156 4.495 4.340 -0.000 0.000 0.239 368 L C 0.980 177.893 176.870 0.070 0.000 1.376 368 L CA 0.481 55.279 54.840 -0.070 0.000 1.240 368 L CB -0.221 41.726 42.059 -0.187 0.000 1.487 368 L HN -0.006 nan 8.230 nan 0.000 0.419 369 D N 0.755 121.256 120.400 0.167 0.000 2.084 369 D HA -0.071 4.569 4.640 -0.000 0.000 0.194 369 D C 0.150 176.526 176.300 0.127 0.000 0.990 369 D CA 1.371 55.485 54.000 0.191 0.000 0.826 369 D CB 0.233 41.099 40.800 0.110 0.000 0.971 369 D HN 0.464 nan 8.370 nan 0.000 0.453 370 N N 1.201 119.949 118.700 0.080 0.000 2.664 370 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 370 N C -2.670 172.870 175.510 0.050 0.000 1.108 370 N CA -1.001 52.086 53.050 0.061 0.000 0.822 370 N CB 2.438 40.953 38.487 0.047 0.000 1.199 370 N HN -0.090 nan 8.380 nan 0.000 0.529 371 P HA -0.065 nan 4.420 nan 0.000 0.273 371 P C 0.003 177.331 177.300 0.046 0.000 1.248 371 P CA 0.319 63.441 63.100 0.037 0.000 0.817 371 P CB 0.717 32.449 31.700 0.053 0.000 0.995 372 D N -1.342 119.090 120.400 0.053 0.000 2.423 372 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 372 D C 1.196 177.535 176.300 0.064 0.000 1.174 372 D CA -0.368 53.672 54.000 0.067 0.000 1.008 372 D CB 0.180 41.038 40.800 0.096 0.000 1.101 372 D HN 0.367 nan 8.370 nan 0.000 0.516 373 E N 0.186 120.422 120.200 0.061 0.000 2.024 373 E HA -0.215 4.135 4.350 -0.000 0.000 0.236 373 E C 0.989 177.620 176.600 0.051 0.000 0.995 373 E CA 2.264 58.695 56.400 0.052 0.000 0.904 373 E CB -0.371 29.359 29.700 0.050 0.000 0.823 373 E HN 0.483 nan 8.360 nan 0.000 0.552 374 G N -0.937 107.896 108.800 0.055 0.000 3.959 374 G HA2 0.191 4.151 3.960 -0.000 0.000 0.298 374 G HA3 0.191 4.151 3.960 -0.000 0.000 0.298 374 G C -0.586 174.346 174.900 0.054 0.000 1.211 374 G CA -0.385 44.743 45.100 0.047 0.000 1.001 374 G HN 0.318 nan 8.290 nan 0.000 0.561 375 C N 0.569 119.915 119.300 0.076 0.000 2.648 375 C HA 0.170 4.630 4.460 -0.000 0.000 0.415 375 C C 1.420 176.438 174.990 0.046 0.000 1.366 375 C CA 0.183 59.260 59.018 0.099 0.000 1.756 375 C CB 0.738 28.596 27.740 0.197 0.000 2.549 375 C HN 0.700 nan 8.230 nan 0.000 0.597 376 D N 1.641 122.033 120.400 -0.013 0.000 2.398 376 D HA 0.136 4.776 4.640 -0.000 0.000 0.210 376 D C 0.319 176.527 176.300 -0.155 0.000 1.094 376 D CA 0.083 54.049 54.000 -0.057 0.000 0.839 376 D CB 0.101 40.874 40.800 -0.046 0.000 0.963 376 D HN 0.573 nan 8.370 nan 0.000 0.506 377 L N 0.598 121.651 121.223 -0.283 0.000 2.418 377 L HA 0.318 4.658 4.340 -0.000 0.000 0.265 377 L C 0.283 176.741 176.870 -0.687 0.000 1.143 377 L CA -0.676 53.794 54.840 -0.616 0.000 0.809 377 L CB 0.626 42.072 42.059 -1.022 0.000 1.124 377 L HN -0.138 nan 8.230 nan 0.000 0.456 378 D N 0.951 120.991 120.400 -0.600 0.000 2.441 378 D HA 0.181 4.821 4.640 -0.000 0.000 0.221 378 D C -0.066 175.959 176.300 -0.459 0.000 1.156 378 D CA -0.158 53.612 54.000 -0.383 0.000 0.896 378 D CB 0.236 40.900 40.800 -0.227 0.000 1.028 378 D HN 0.259 nan 8.370 nan 0.000 0.509 379 F N 2.482 122.301 119.950 -0.219 0.000 2.676 379 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 379 F C 1.117 176.868 175.800 -0.081 0.000 1.160 379 F CA -0.463 57.403 58.000 -0.224 0.000 1.401 379 F CB -0.148 38.653 39.000 -0.331 0.000 1.037 379 F HN 0.100 nan 8.300 nan 0.000 0.522 380 V N 0.967 120.909 119.914 0.046 0.000 5.578 380 V HA -0.295 3.825 4.120 -0.000 0.000 0.275 380 V C -0.978 175.124 176.094 0.013 0.000 0.642 380 V CA 0.043 62.357 62.300 0.024 0.000 0.613 380 V CB -1.456 30.374 31.823 0.013 0.000 0.301 380 V HN 0.282 nan 8.190 nan 0.000 0.782 381 P HA -0.234 nan 4.420 nan 0.000 0.221 381 P C 0.939 177.921 177.300 -0.530 0.000 1.153 381 P CA 2.522 65.499 63.100 -0.206 0.000 0.858 381 P CB 0.028 31.653 31.700 -0.126 0.000 0.783 382 H N -4.282 114.803 119.070 0.024 0.000 3.640 382 H HA 0.234 4.790 4.556 -0.000 0.000 0.240 382 H C 0.428 175.745 175.328 -0.019 0.000 1.003 382 H CA -0.061 55.990 56.048 0.005 0.000 1.082 382 H CB 1.050 30.812 29.762 0.001 0.000 1.327 382 H HN 0.137 nan 8.280 nan 0.000 0.692 383 E N 0.919 121.163 120.200 0.073 0.000 2.369 383 E HA 0.609 4.959 4.350 -0.000 0.000 0.270 383 E C -0.477 176.101 176.600 -0.038 0.000 0.909 383 E CA -0.900 55.504 56.400 0.006 0.000 0.775 383 E CB 2.605 32.309 29.700 0.007 0.000 1.270 383 E HN 0.206 nan 8.360 nan 0.000 0.445 384 A N 1.593 124.363 122.820 -0.083 0.000 2.440 384 A HA 0.356 4.676 4.320 -0.000 0.000 0.251 384 A C 0.353 177.880 177.584 -0.096 0.000 1.089 384 A CA -0.039 51.924 52.037 -0.123 0.000 0.779 384 A CB 0.096 18.983 19.000 -0.188 0.000 1.022 384 A HN 0.435 nan 8.150 nan 0.000 0.492 385 R N 1.097 121.536 120.500 -0.101 0.000 2.486 385 R HA 0.475 4.815 4.340 -0.000 0.000 0.286 385 R C -0.220 176.033 176.300 -0.079 0.000 0.999 385 R CA -0.287 55.767 56.100 -0.077 0.000 0.993 385 R CB 0.843 31.099 30.300 -0.073 0.000 1.084 385 R HN 0.795 nan 8.270 nan 0.000 0.487 386 Q N 2.667 122.435 119.800 -0.053 0.000 2.245 386 Q HA 0.551 4.891 4.340 -0.000 0.000 0.256 386 Q C -1.269 174.714 176.000 -0.027 0.000 0.942 386 Q CA -0.771 55.008 55.803 -0.039 0.000 0.896 386 Q CB 1.745 30.465 28.738 -0.030 0.000 1.272 386 Q HN 0.489 nan 8.270 nan 0.000 0.442 387 V N 0.192 120.097 119.914 -0.015 0.000 3.001 387 V HA 0.706 4.826 4.120 -0.000 0.000 0.314 387 V C 0.018 176.115 176.094 0.006 0.000 1.099 387 V CA -0.130 62.168 62.300 -0.003 0.000 0.989 387 V CB 1.449 33.273 31.823 0.002 0.000 1.040 387 V HN 0.862 nan 8.190 nan 0.000 0.434 388 S N 1.925 117.630 115.700 0.009 0.000 2.433 388 S HA 0.330 4.800 4.470 -0.000 0.000 0.216 388 S C 1.267 175.875 174.600 0.012 0.000 1.031 388 S CA 0.771 58.977 58.200 0.009 0.000 0.931 388 S CB -0.155 63.049 63.200 0.007 0.000 0.875 388 S HN 1.591 nan 8.310 nan 0.000 0.553 389 G N 1.680 110.489 108.800 0.016 0.000 4.804 389 G HA2 0.438 4.398 3.960 -0.000 0.000 0.310 389 G HA3 0.438 4.398 3.960 -0.000 0.000 0.310 389 G C -0.453 174.459 174.900 0.019 0.000 1.389 389 G CA -0.419 44.689 45.100 0.013 0.000 1.106 389 G HN 0.420 nan 8.290 nan 0.000 0.595 390 M N 0.689 120.304 119.600 0.026 0.000 2.162 390 M HA 0.280 4.760 4.480 -0.000 0.000 0.356 390 M C 0.992 177.290 176.300 -0.003 0.000 1.303 390 M CA 0.026 55.353 55.300 0.045 0.000 1.116 390 M CB 1.419 34.063 32.600 0.074 0.000 1.632 390 M HN 0.427 nan 8.290 nan 0.000 0.469 391 E N 3.289 123.457 120.200 -0.054 0.000 2.421 391 E HA 0.094 4.444 4.350 -0.000 0.000 0.209 391 E C -1.086 175.287 176.600 -0.378 0.000 0.871 391 E CA 0.225 56.466 56.400 -0.266 0.000 1.064 391 E CB 0.721 30.156 29.700 -0.442 0.000 1.075 391 E HN 0.669 nan 8.360 nan 0.000 0.513 392 Y N 0.164 120.523 120.300 0.099 0.000 2.462 392 Y HA 0.385 4.934 4.550 -0.000 0.000 0.346 392 Y C -0.227 175.764 175.900 0.152 0.000 0.976 392 Y CA -0.948 57.222 58.100 0.116 0.000 1.044 392 Y CB 2.137 40.651 38.460 0.090 0.000 1.230 392 Y HN -0.176 nan 8.280 nan 0.000 0.455 393 T N 0.564 115.325 114.554 0.345 0.000 2.900 393 T HA 0.725 5.075 4.350 -0.000 0.000 0.295 393 T C -1.460 173.395 174.700 0.259 0.000 1.044 393 T CA -0.807 61.465 62.100 0.286 0.000 0.995 393 T CB 1.890 70.933 68.868 0.290 0.000 1.072 393 T HN 0.592 nan 8.240 nan 0.000 0.473 394 L N 1.716 123.028 121.223 0.148 0.000 2.341 394 L HA 0.790 5.130 4.340 -0.000 0.000 0.278 394 L C -0.861 176.034 176.870 0.042 0.000 1.005 394 L CA -0.508 54.401 54.840 0.116 0.000 0.818 394 L CB 1.480 43.614 42.059 0.125 0.000 1.259 394 L HN 1.107 nan 8.230 nan 0.000 0.418 395 C N 4.949 124.299 119.300 0.084 0.000 2.345 395 C HA 0.671 5.131 4.460 -0.000 0.000 0.323 395 C C -0.747 174.220 174.990 -0.040 0.000 1.276 395 C CA -0.540 58.492 59.018 0.023 0.000 1.543 395 C CB 0.480 28.285 27.740 0.108 0.000 2.211 395 C HN 0.878 nan 8.230 nan 0.000 0.493 396 N N 2.895 121.506 118.700 -0.148 0.000 2.321 396 N HA 0.611 5.350 4.740 -0.000 0.000 0.299 396 N C -1.206 173.982 175.510 -0.537 0.000 1.048 396 N CA -0.172 52.648 53.050 -0.384 0.000 0.836 396 N CB 2.100 40.274 38.487 -0.521 0.000 1.269 396 N HN 0.687 nan 8.380 nan 0.000 0.486 397 S N 1.367 116.660 115.700 -0.678 0.000 2.672 397 S HA 0.564 5.034 4.470 -0.000 0.000 0.291 397 S C -1.479 172.711 174.600 -0.683 0.000 1.145 397 S CA -0.537 57.335 58.200 -0.546 0.000 1.013 397 S CB 0.488 63.535 63.200 -0.256 0.000 1.017 397 S HN 0.285 nan 8.310 nan 0.000 0.487 398 F N 1.955 121.424 119.950 -0.801 0.000 2.532 398 F HA 0.583 5.109 4.527 -0.000 0.000 0.365 398 F C 0.756 176.102 175.800 -0.756 0.000 1.112 398 F CA -1.107 56.516 58.000 -0.628 0.000 1.082 398 F CB 1.034 39.761 39.000 -0.454 0.000 1.319 398 F HN 0.619 nan 8.300 nan 0.000 0.457 399 G N 0.807 109.450 108.800 -0.262 0.000 2.552 399 G HA2 0.547 4.506 3.960 -0.000 0.000 0.318 399 G HA3 0.547 4.506 3.960 -0.000 0.000 0.318 399 G C -0.818 174.024 174.900 -0.097 0.000 1.240 399 G CA -0.654 44.267 45.100 -0.298 0.000 1.002 399 G HN 0.126 nan 8.290 nan 0.000 0.493 400 F N 0.228 120.252 119.950 0.124 0.000 2.607 400 F HA 0.367 4.894 4.527 -0.000 0.000 0.374 400 F C 1.595 177.446 175.800 0.086 0.000 1.104 400 F CA 0.837 58.912 58.000 0.125 0.000 1.296 400 F CB 0.364 39.453 39.000 0.149 0.000 1.085 400 F HN 0.880 nan 8.300 nan 0.000 0.584 401 G N 0.961 109.916 108.800 0.258 0.000 2.141 401 G HA2 0.063 4.023 3.960 -0.000 0.000 0.242 401 G HA3 0.063 4.023 3.960 -0.000 0.000 0.242 401 G C 0.943 175.917 174.900 0.123 0.000 0.982 401 G CA 0.181 45.366 45.100 0.142 0.000 0.662 401 G HN 1.877 nan 8.290 nan 0.000 0.527 402 G N -1.130 107.755 108.800 0.141 0.000 2.225 402 G HA2 0.027 3.987 3.960 -0.000 0.000 0.267 402 G HA3 0.027 3.987 3.960 -0.000 0.000 0.267 402 G C 0.464 175.416 174.900 0.088 0.000 1.024 402 G CA 1.488 46.654 45.100 0.109 0.000 0.784 402 G HN 2.018 nan 8.290 nan 0.000 0.507 403 T N 0.618 115.234 114.554 0.104 0.000 2.744 403 T HA 0.552 4.901 4.350 -0.000 0.000 0.291 403 T C 0.136 174.911 174.700 0.125 0.000 0.957 403 T CA -0.482 61.701 62.100 0.140 0.000 1.002 403 T CB 0.208 69.194 68.868 0.197 0.000 0.919 403 T HN 0.353 nan 8.240 nan 0.000 0.468 404 N N 3.005 121.793 118.700 0.147 0.000 2.292 404 N HA 0.713 5.453 4.740 -0.000 0.000 0.303 404 N C -0.377 175.224 175.510 0.152 0.000 1.140 404 N CA -0.728 52.436 53.050 0.191 0.000 0.788 404 N CB 2.270 40.882 38.487 0.209 0.000 1.361 404 N HN 0.787 nan 8.380 nan 0.000 0.489 405 G N -0.785 108.081 108.800 0.110 0.000 2.692 405 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 405 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 405 G C -1.524 173.440 174.900 0.107 0.000 1.423 405 G CA -0.343 44.813 45.100 0.093 0.000 0.843 405 G HN 0.376 nan 8.290 nan 0.000 0.486 406 S N -0.640 115.151 115.700 0.151 0.000 2.566 406 S HA 0.582 5.051 4.470 -0.000 0.000 0.273 406 S C -0.887 173.801 174.600 0.147 0.000 1.157 406 S CA -0.484 57.783 58.200 0.111 0.000 0.938 406 S CB 1.372 64.636 63.200 0.107 0.000 1.087 406 S HN 0.553 nan 8.310 nan 0.000 0.474 407 L N 3.118 124.373 121.223 0.053 0.000 2.334 407 L HA 0.668 5.008 4.340 -0.000 0.000 0.273 407 L C -1.019 175.750 176.870 -0.168 0.000 1.013 407 L CA -0.793 53.981 54.840 -0.110 0.000 0.816 407 L CB 1.606 43.514 42.059 -0.250 0.000 1.278 407 L HN 0.553 nan 8.230 nan 0.000 0.431 408 I N 1.923 122.300 120.570 -0.321 0.000 2.418 408 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 408 I C -1.040 174.884 176.117 -0.323 0.000 1.008 408 I CA -0.218 60.985 61.300 -0.161 0.000 1.104 408 I CB 1.654 39.608 38.000 -0.076 0.000 1.264 408 I HN 0.292 nan 8.210 nan 0.000 0.438 409 F N 5.732 125.740 119.950 0.096 0.000 2.492 409 F HA 0.562 5.088 4.527 -0.000 0.000 0.327 409 F C 0.186 176.075 175.800 0.149 0.000 1.079 409 F CA -0.676 57.375 58.000 0.085 0.000 0.967 409 F CB 1.547 40.569 39.000 0.036 0.000 1.169 409 F HN 0.220 nan 8.300 nan 0.000 0.472 410 K N 2.394 122.953 120.400 0.264 0.000 2.316 410 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 410 K C -0.900 175.710 176.600 0.016 0.000 0.934 410 K CA -0.870 55.480 56.287 0.106 0.000 0.802 410 K CB 1.989 34.565 32.500 0.126 0.000 1.171 410 K HN 0.694 nan 8.250 nan 0.000 0.426 411 K N 4.024 124.369 120.400 -0.091 0.000 2.451 411 K HA 0.061 4.381 4.320 -0.000 0.000 0.280 411 K C 0.058 176.630 176.600 -0.046 0.000 1.020 411 K CA 0.204 56.457 56.287 -0.057 0.000 1.008 411 K CB 0.007 32.457 32.500 -0.083 0.000 0.917 411 K HN 0.645 nan 8.250 nan 0.000 0.478 412 I N 0.000 120.562 120.570 -0.013 0.000 2.984 412 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 412 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 412 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 412 I HN 0.000 nan 8.210 nan 0.000 0.494