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 2x0q_1_A DATA FIRST_RESID 8 DATA SEQUENCE HPAEIVAHLQ PEIWNKVNRL LVRKAISEYA HEWLLEPQRL GPGETPGFER DATA SEQUENCE FRLTLADGAQ YDFDAQVMAM RHWRIPPESI VKTVAGVPAP LDALQFVIEI DATA SEQUENCE RDKLGLPVDR LPIYMDEITS TLHGSAYKHG RTTLGAAALA RADYQTIETS DATA SEQUENCE MIEGHPSFVA NNGRLGFDAE DYHGYAPEAA TPVRLMWLAV HKDNAHFSCL DATA SEQUENCE SDMDYDSLMS EELGESAVTD FAARLREQGL HPADYYFMPA HPWQWFNKLS DATA SEQUENCE LAFAPYVAQR KIVCLGYGEE QYLAQQSIRT FFNISRPGKR YVKTSLSILN DATA SEQUENCE MGFMRGLSPY YMAGTPAINE YIHDLISADP WLRANGFRIL REVASMGFRN DATA SEQUENCE YYYEAAIDTD TPYKKMFSAL WRENPLTLIA PGQNLMTMAA LLHVDPQGRA DATA SEQUENCE LLPELIQASG LDAGTWLERY VDAYLTPLIH CFYAHDLVFM PHGENVILVI DATA SEQUENCE QDGVPVRAFM KDIAEESSIL NPQVRLPQAA QRLAADVPEA YKLLTIFVDV DATA SEQUENCE FEGYFRHLTQ ILVETELMPE HDFWRLVAGR IAAYQQAHPQ RLDKYRRYDL DATA SEQUENCE FAPDMIHSCL NRLQLANXXX XXXXXXXXXX XXXXPNLPNP IACFRPSWL 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.321 175.328 -0.012 0.000 0.993 8 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 8 H CB 0.000 29.755 29.762 -0.011 0.000 1.292 9 P HA -0.045 nan 4.420 nan 0.000 0.221 9 P C 1.146 178.488 177.300 0.070 0.000 1.145 9 P CA 1.469 64.534 63.100 -0.058 0.000 0.795 9 P CB 0.129 31.743 31.700 -0.143 0.000 0.775 10 A N -0.003 122.984 122.820 0.277 0.000 1.968 10 A HA -0.137 4.136 4.320 -0.080 0.000 0.217 10 A C 2.173 179.828 177.584 0.118 0.000 1.169 10 A CA 1.054 53.218 52.037 0.212 0.000 0.638 10 A CB -0.735 18.411 19.000 0.244 0.000 0.812 10 A HN 0.020 nan 8.150 nan 0.000 0.446 11 E N -0.282 119.995 120.200 0.128 0.000 2.209 11 E HA -0.178 4.124 4.350 -0.080 0.000 0.196 11 E C 1.653 178.296 176.600 0.072 0.000 0.993 11 E CA 0.724 57.164 56.400 0.068 0.000 0.819 11 E CB -0.371 29.357 29.700 0.045 0.000 0.745 11 E HN 0.584 nan 8.360 nan 0.000 0.477 12 I N 0.407 121.026 120.570 0.082 0.000 2.423 12 I HA -0.211 3.911 4.170 -0.080 0.000 0.254 12 I C 1.633 177.950 176.117 0.333 0.000 1.151 12 I CA 0.957 62.352 61.300 0.158 0.000 1.421 12 I CB 0.218 38.302 38.000 0.139 0.000 1.079 12 I HN -0.059 nan 8.210 nan 0.000 0.431 13 V N -2.842 117.163 119.914 0.150 0.000 2.909 13 V HA 0.567 4.640 4.120 -0.080 0.000 0.362 13 V C 1.542 177.577 176.094 -0.099 0.000 1.356 13 V CA 0.089 62.377 62.300 -0.021 0.000 1.195 13 V CB -0.654 31.072 31.823 -0.163 0.000 1.256 13 V HN 0.117 nan 8.190 nan 0.000 0.567 14 A N 1.210 124.083 122.820 0.088 0.000 2.070 14 A HA -0.170 4.103 4.320 -0.080 0.000 0.220 14 A C 2.001 179.643 177.584 0.096 0.000 1.159 14 A CA 1.906 53.986 52.037 0.072 0.000 0.656 14 A CB -0.863 18.198 19.000 0.101 0.000 0.800 14 A HN 0.982 nan 8.150 nan 0.000 0.453 15 H N -0.863 118.318 119.070 0.185 0.000 2.546 15 H HA 0.143 4.651 4.556 -0.080 0.000 0.277 15 H C 0.248 175.678 175.328 0.171 0.000 1.004 15 H CA 0.259 56.422 56.048 0.193 0.000 1.231 15 H CB -0.621 29.332 29.762 0.317 0.000 1.382 15 H HN 0.379 nan 8.280 nan 0.000 0.580 16 L N 3.257 124.309 121.223 -0.284 0.000 2.356 16 L HA 0.192 4.484 4.340 -0.080 0.000 0.282 16 L C -0.231 176.580 176.870 -0.098 0.000 1.132 16 L CA -0.068 54.657 54.840 -0.191 0.000 0.923 16 L CB 0.451 42.288 42.059 -0.370 0.000 1.278 16 L HN 0.112 nan 8.230 nan 0.000 0.436 17 Q N 2.848 122.659 119.800 0.020 0.000 2.413 17 Q HA 0.376 4.668 4.340 -0.080 0.000 0.276 17 Q C -1.904 174.145 176.000 0.081 0.000 1.099 17 Q CA -1.960 53.858 55.803 0.025 0.000 0.814 17 Q CB 2.192 30.957 28.738 0.045 0.000 1.379 17 Q HN 0.077 nan 8.270 nan 0.000 0.436 18 P HA -0.213 nan 4.420 nan 0.000 0.215 18 P C 1.125 178.512 177.300 0.146 0.000 1.153 18 P CA 1.577 64.735 63.100 0.096 0.000 0.853 18 P CB 0.399 32.128 31.700 0.047 0.000 0.788 19 E N 0.116 120.373 120.200 0.096 0.000 2.047 19 E HA -0.160 4.142 4.350 -0.080 0.000 0.191 19 E C 2.075 178.722 176.600 0.077 0.000 0.987 19 E CA 1.224 57.667 56.400 0.073 0.000 0.799 19 E CB -1.534 28.193 29.700 0.044 0.000 0.752 19 E HN 0.220 nan 8.360 nan 0.000 0.449 20 I N 0.586 121.218 120.570 0.103 0.000 2.353 20 I HA -0.121 4.002 4.170 -0.080 0.000 0.248 20 I C 2.346 178.538 176.117 0.125 0.000 1.119 20 I CA 0.996 62.352 61.300 0.094 0.000 1.417 20 I CB -0.296 37.779 38.000 0.125 0.000 1.078 20 I HN 0.231 nan 8.210 nan 0.000 0.421 21 W N 1.076 122.373 121.300 -0.004 0.000 2.338 21 W HA -0.281 4.333 4.660 -0.077 0.000 0.304 21 W C 2.040 178.546 176.519 -0.022 0.000 1.212 21 W CA 1.545 58.887 57.345 -0.005 0.000 1.264 21 W CB -0.365 29.095 29.460 0.001 0.000 1.142 21 W HN 0.210 nan 8.180 nan 0.000 0.512 22 N N 0.760 119.505 118.700 0.075 0.000 2.120 22 N HA -0.196 4.497 4.740 -0.080 0.000 0.188 22 N C 1.741 177.173 175.510 -0.130 0.000 1.024 22 N CA 1.743 54.768 53.050 -0.042 0.000 0.852 22 N CB -0.790 37.714 38.487 0.028 0.000 1.003 22 N HN 0.215 nan 8.380 nan 0.000 0.424 23 K N 0.912 121.243 120.400 -0.114 0.000 2.009 23 K HA -0.124 4.148 4.320 -0.080 0.000 0.210 23 K C 1.782 178.220 176.600 -0.269 0.000 1.049 23 K CA 1.743 57.928 56.287 -0.169 0.000 0.929 23 K CB -0.071 32.336 32.500 -0.155 0.000 0.714 23 K HN 0.143 nan 8.250 nan 0.000 0.440 24 V N -0.969 118.749 119.914 -0.326 0.000 2.667 24 V HA -0.116 3.956 4.120 -0.080 0.000 0.252 24 V C 1.789 177.652 176.094 -0.385 0.000 1.065 24 V CA 1.603 63.672 62.300 -0.385 0.000 1.083 24 V CB -0.678 30.944 31.823 -0.336 0.000 0.692 24 V HN 0.292 nan 8.190 nan 0.000 0.468 25 N N 1.128 119.550 118.700 -0.464 0.000 2.142 25 N HA -0.184 4.508 4.740 -0.080 0.000 0.186 25 N C 2.094 177.443 175.510 -0.268 0.000 1.023 25 N CA 1.866 54.666 53.050 -0.417 0.000 0.852 25 N CB -0.217 37.992 38.487 -0.463 0.000 0.998 25 N HN 0.587 nan 8.380 nan 0.000 0.424 26 R N 1.367 121.732 120.500 -0.226 0.000 2.081 26 R HA -0.055 4.238 4.340 -0.080 0.000 0.235 26 R C 2.263 178.447 176.300 -0.193 0.000 1.131 26 R CA 0.953 56.946 56.100 -0.178 0.000 0.960 26 R CB -0.239 29.978 30.300 -0.139 0.000 0.856 26 R HN 0.147 nan 8.270 nan 0.000 0.436 27 L N 0.444 121.545 121.223 -0.204 0.000 2.083 27 L HA -0.167 4.125 4.340 -0.080 0.000 0.209 27 L C 2.398 179.158 176.870 -0.182 0.000 1.083 27 L CA 0.603 55.336 54.840 -0.180 0.000 0.752 27 L CB -0.345 41.608 42.059 -0.177 0.000 0.899 27 L HN 0.260 nan 8.230 nan 0.000 0.433 28 L N -0.982 120.119 121.223 -0.203 0.000 2.179 28 L HA -0.081 4.211 4.340 -0.080 0.000 0.208 28 L C 2.284 179.017 176.870 -0.228 0.000 1.096 28 L CA 1.264 55.991 54.840 -0.188 0.000 0.779 28 L CB -0.138 41.815 42.059 -0.177 0.000 0.922 28 L HN -0.094 nan 8.230 nan 0.000 0.443 29 V N 0.022 119.772 119.914 -0.273 0.000 2.407 29 V HA -0.244 3.828 4.120 -0.080 0.000 0.248 29 V C 2.817 178.622 176.094 -0.482 0.000 1.055 29 V CA 1.784 63.822 62.300 -0.437 0.000 1.049 29 V CB -0.849 30.709 31.823 -0.441 0.000 0.662 29 V HN 0.492 nan 8.190 nan 0.000 0.455 30 R N 0.881 121.177 120.500 -0.339 0.000 2.083 30 R HA -0.210 4.083 4.340 -0.080 0.000 0.237 30 R C 2.352 178.479 176.300 -0.289 0.000 1.137 30 R CA 2.321 58.238 56.100 -0.305 0.000 0.951 30 R CB -0.454 29.729 30.300 -0.194 0.000 0.851 30 R HN 0.527 nan 8.270 nan 0.000 0.434 31 K N -0.235 120.025 120.400 -0.233 0.000 2.057 31 K HA -0.087 4.185 4.320 -0.080 0.000 0.207 31 K C 2.001 178.422 176.600 -0.298 0.000 1.049 31 K CA 1.418 57.586 56.287 -0.198 0.000 0.931 31 K CB -0.179 32.236 32.500 -0.142 0.000 0.714 31 K HN 0.216 nan 8.250 nan 0.000 0.440 32 A N 1.441 124.035 122.820 -0.376 0.000 1.865 32 A HA -0.170 4.102 4.320 -0.080 0.000 0.217 32 A C 2.109 179.408 177.584 -0.476 0.000 1.191 32 A CA 1.726 53.418 52.037 -0.574 0.000 0.623 32 A CB -0.693 18.160 19.000 -0.246 0.000 0.826 32 A HN 0.351 nan 8.150 nan 0.000 0.444 33 I N -0.626 119.683 120.570 -0.436 0.000 2.163 33 I HA -0.260 3.862 4.170 -0.080 0.000 0.243 33 I C 2.894 178.751 176.117 -0.433 0.000 1.085 33 I CA 1.684 62.712 61.300 -0.453 0.000 1.347 33 I CB -0.316 37.200 38.000 -0.808 0.000 1.044 33 I HN 0.447 nan 8.210 nan 0.000 0.408 34 S N 0.275 115.756 115.700 -0.364 0.000 2.348 34 S HA -0.191 4.231 4.470 -0.080 0.000 0.221 34 S C 2.023 176.542 174.600 -0.136 0.000 1.033 34 S CA 1.430 59.495 58.200 -0.226 0.000 1.010 34 S CB -0.155 62.958 63.200 -0.144 0.000 0.891 34 S HN 0.338 nan 8.310 nan 0.000 0.442 35 E N 0.207 120.328 120.200 -0.132 0.000 2.072 35 E HA -0.046 4.256 4.350 -0.080 0.000 0.190 35 E C 1.925 178.575 176.600 0.085 0.000 0.982 35 E CA 1.096 57.494 56.400 -0.003 0.000 0.803 35 E CB -0.570 29.100 29.700 -0.050 0.000 0.755 35 E HN 0.787 nan 8.360 nan 0.000 0.453 36 Y N 0.774 121.054 120.300 -0.033 0.000 2.242 36 Y HA -0.164 4.338 4.550 -0.079 0.000 0.291 36 Y C 2.500 178.306 175.900 -0.156 0.000 1.137 36 Y CA 0.362 58.425 58.100 -0.061 0.000 1.181 36 Y CB -0.114 38.313 38.460 -0.055 0.000 0.989 36 Y HN 0.048 nan 8.280 nan 0.000 0.527 37 A N -0.003 122.707 122.820 -0.184 0.000 1.898 37 A HA -0.286 3.986 4.320 -0.080 0.000 0.216 37 A C 1.787 179.151 177.584 -0.367 0.000 1.181 37 A CA 1.995 53.707 52.037 -0.542 0.000 0.620 37 A CB -1.167 17.015 19.000 -1.363 0.000 0.819 37 A HN 0.608 nan 8.150 nan 0.000 0.442 38 H N 0.329 119.293 119.070 -0.177 0.000 2.390 38 H HA -0.112 4.395 4.556 -0.082 0.000 0.298 38 H C 1.450 176.777 175.328 -0.002 0.000 1.106 38 H CA 2.099 58.168 56.048 0.035 0.000 1.297 38 H CB -0.105 29.745 29.762 0.146 0.000 1.375 38 H HN 0.599 nan 8.280 nan 0.000 0.509 39 E N -1.225 118.953 120.200 -0.038 0.000 2.476 39 E HA -0.019 4.283 4.350 -0.080 0.000 0.191 39 E C -0.116 176.621 176.600 0.229 0.000 1.064 39 E CA 0.251 56.689 56.400 0.063 0.000 0.866 39 E CB 0.085 29.875 29.700 0.150 0.000 0.952 39 E HN 0.628 nan 8.360 nan 0.000 0.492 40 W N -0.936 120.355 121.300 -0.015 0.000 2.869 40 W HA -0.286 4.329 4.660 -0.074 0.000 0.285 40 W C 0.950 177.448 176.519 -0.034 0.000 1.098 40 W CA 0.011 57.349 57.345 -0.012 0.000 0.571 40 W CB -2.113 27.346 29.460 -0.003 0.000 2.131 40 W HN 0.184 nan 8.180 nan 0.000 1.367 41 L N -0.743 120.539 121.223 0.098 0.000 2.141 41 L HA -0.018 4.274 4.340 -0.080 0.000 0.209 41 L C 1.371 178.221 176.870 -0.033 0.000 1.094 41 L CA 1.075 55.911 54.840 -0.007 0.000 0.763 41 L CB -0.387 41.599 42.059 -0.120 0.000 0.908 41 L HN -0.046 nan 8.230 nan 0.000 0.437 42 L N -0.785 120.409 121.223 -0.050 0.000 2.342 42 L HA 0.377 4.669 4.340 -0.080 0.000 0.271 42 L C -0.482 176.315 176.870 -0.122 0.000 1.008 42 L CA -0.453 54.335 54.840 -0.086 0.000 0.818 42 L CB 1.949 43.933 42.059 -0.125 0.000 1.296 42 L HN -0.080 nan 8.230 nan 0.000 0.427 43 E N 2.410 122.579 120.200 -0.052 0.000 2.873 43 E HA 0.292 4.594 4.350 -0.080 0.000 0.232 43 E C -2.424 174.187 176.600 0.018 0.000 1.123 43 E CA -1.698 54.694 56.400 -0.014 0.000 0.809 43 E CB 1.201 30.983 29.700 0.138 0.000 1.366 43 E HN 0.336 nan 8.360 nan 0.000 0.400 44 P HA -0.057 nan 4.420 nan 0.000 0.266 44 P C -0.573 176.910 177.300 0.303 0.000 1.195 44 P CA -0.133 63.020 63.100 0.089 0.000 0.768 44 P CB 0.543 32.179 31.700 -0.107 0.000 0.838 45 Q N 2.567 122.539 119.800 0.286 0.000 2.296 45 Q HA 0.191 4.483 4.340 -0.080 0.000 0.257 45 Q C -0.224 175.910 176.000 0.223 0.000 0.942 45 Q CA -0.384 55.565 55.803 0.243 0.000 0.939 45 Q CB 0.556 29.376 28.738 0.138 0.000 1.198 45 Q HN 0.229 nan 8.270 nan 0.000 0.429 46 R N 4.457 125.039 120.500 0.138 0.000 2.401 46 R HA 0.120 4.413 4.340 -0.080 0.000 0.299 46 R C -0.051 176.129 176.300 -0.200 0.000 1.064 46 R CA 0.161 56.092 56.100 -0.282 0.000 1.000 46 R CB 0.276 30.397 30.300 -0.299 0.000 0.973 46 R HN 0.903 nan 8.270 nan 0.000 0.438 47 L N 3.281 124.341 121.223 -0.272 0.000 2.357 47 L HA 0.343 4.635 4.340 -0.080 0.000 0.211 47 L C 1.138 177.919 176.870 -0.150 0.000 1.075 47 L CA 0.625 55.371 54.840 -0.156 0.000 0.830 47 L CB 0.297 42.278 42.059 -0.130 0.000 0.996 47 L HN 0.994 nan 8.230 nan 0.000 0.467 48 G N -1.116 107.557 108.800 -0.211 0.000 2.352 48 G HA2 0.069 3.981 3.960 -0.080 0.000 0.283 48 G HA3 0.069 3.981 3.960 -0.080 0.000 0.283 48 G C -3.068 171.731 174.900 -0.168 0.000 1.308 48 G CA -0.966 44.042 45.100 -0.155 0.000 0.892 48 G HN -0.319 nan 8.290 nan 0.000 0.504 49 P HA 0.386 nan 4.420 nan 0.000 0.267 49 P C 0.741 178.008 177.300 -0.054 0.000 1.200 49 P CA 0.837 63.897 63.100 -0.067 0.000 0.772 49 P CB 0.813 32.492 31.700 -0.036 0.000 0.855 50 G N 1.316 110.114 108.800 -0.003 0.000 2.563 50 G HA2 0.104 4.016 3.960 -0.080 0.000 0.283 50 G HA3 0.104 4.016 3.960 -0.080 0.000 0.283 50 G C 0.192 175.105 174.900 0.022 0.000 1.309 50 G CA -0.429 44.686 45.100 0.026 0.000 1.022 50 G HN 0.483 nan 8.290 nan 0.000 0.501 51 E N -0.954 119.247 120.200 0.003 0.000 2.463 51 E HA 0.099 4.401 4.350 -0.080 0.000 0.193 51 E C -0.138 176.442 176.600 -0.033 0.000 1.041 51 E CA 0.265 56.655 56.400 -0.016 0.000 0.879 51 E CB 0.454 30.140 29.700 -0.025 0.000 0.997 51 E HN 0.263 nan 8.360 nan 0.000 0.478 52 T N 2.085 116.621 114.554 -0.031 0.000 2.848 52 T HA 0.301 4.603 4.350 -0.080 0.000 0.285 52 T C -2.683 172.111 174.700 0.156 0.000 0.995 52 T CA -1.871 60.201 62.100 -0.046 0.000 0.970 52 T CB 1.880 70.516 68.868 -0.386 0.000 0.976 52 T HN -0.191 nan 8.240 nan 0.000 0.441 53 P HA 0.244 nan 4.420 nan 0.000 0.262 53 P C 1.113 178.568 177.300 0.258 0.000 1.182 53 P CA 0.995 64.190 63.100 0.158 0.000 0.761 53 P CB 0.236 31.995 31.700 0.099 0.000 0.795 54 G N 1.112 110.002 108.800 0.151 0.000 2.179 54 G HA2 -0.251 3.661 3.960 -0.080 0.000 0.260 54 G HA3 -0.251 3.661 3.960 -0.080 0.000 0.260 54 G C -0.102 174.762 174.900 -0.060 0.000 0.977 54 G CA -0.447 44.674 45.100 0.035 0.000 0.641 54 G HN 0.392 nan 8.290 nan 0.000 0.533 55 F N 1.064 121.024 119.950 0.017 0.000 2.483 55 F HA 0.702 5.229 4.527 -0.000 0.000 0.329 55 F C 0.518 176.319 175.800 0.003 0.000 1.064 55 F CA -1.062 56.962 58.000 0.040 0.000 0.986 55 F CB 1.264 40.303 39.000 0.065 0.000 1.218 55 F HN -0.102 nan 8.300 nan 0.000 0.484 56 E N 0.629 120.936 120.200 0.178 0.000 2.227 56 E HA 0.386 4.688 4.350 -0.080 0.000 0.268 56 E C -0.861 175.662 176.600 -0.128 0.000 0.990 56 E CA -1.080 55.271 56.400 -0.082 0.000 0.856 56 E CB 1.629 31.129 29.700 -0.333 0.000 1.159 56 E HN 0.320 nan 8.360 nan 0.000 0.401 57 R N 1.042 121.360 120.500 -0.302 0.000 2.254 57 R HA 0.404 4.696 4.340 -0.080 0.000 0.318 57 R C -1.232 174.734 176.300 -0.556 0.000 1.031 57 R CA -0.030 55.904 56.100 -0.276 0.000 0.905 57 R CB 0.091 30.289 30.300 -0.170 0.000 1.050 57 R HN 0.303 nan 8.270 nan 0.000 0.456 58 F N 2.141 121.841 119.950 -0.416 0.000 2.579 58 F HA 0.580 5.049 4.527 -0.097 0.000 0.324 58 F C 0.247 175.741 175.800 -0.509 0.000 1.058 58 F CA -0.802 56.891 58.000 -0.511 0.000 0.944 58 F CB 1.863 40.413 39.000 -0.749 0.000 1.245 58 F HN 0.314 nan 8.300 nan 0.000 0.477 59 R N 2.080 122.587 120.500 0.012 0.000 2.686 59 R HA 0.732 5.025 4.340 -0.080 0.000 0.286 59 R C -2.210 174.232 176.300 0.237 0.000 0.969 59 R CA -0.609 55.561 56.100 0.117 0.000 0.898 59 R CB 1.461 31.811 30.300 0.083 0.000 1.183 59 R HN 0.785 nan 8.270 nan 0.000 0.456 60 L N 3.431 124.856 121.223 0.337 0.000 2.319 60 L HA 0.418 4.710 4.340 -0.080 0.000 0.281 60 L C -0.646 176.387 176.870 0.272 0.000 1.005 60 L CA -0.649 54.375 54.840 0.306 0.000 0.828 60 L CB 2.259 44.535 42.059 0.361 0.000 1.227 60 L HN 0.701 nan 8.230 nan 0.000 0.415 61 T N 4.780 119.444 114.554 0.184 0.000 2.758 61 T HA 0.587 4.889 4.350 -0.080 0.000 0.285 61 T C -0.045 174.732 174.700 0.127 0.000 0.981 61 T CA -0.366 61.822 62.100 0.147 0.000 0.965 61 T CB 0.892 69.821 68.868 0.101 0.000 0.927 61 T HN 0.258 nan 8.240 nan 0.000 0.448 62 L N 1.747 123.051 121.223 0.136 0.000 2.334 62 L HA 0.612 4.904 4.340 -0.080 0.000 0.272 62 L C 1.548 178.458 176.870 0.067 0.000 1.020 62 L CA -1.195 53.702 54.840 0.096 0.000 0.812 62 L CB 0.898 43.027 42.059 0.118 0.000 1.264 62 L HN 0.689 nan 8.230 nan 0.000 0.439 63 A N 0.367 123.212 122.820 0.042 0.000 2.248 63 A HA -0.119 4.154 4.320 -0.080 0.000 0.210 63 A C 1.049 178.651 177.584 0.030 0.000 1.174 63 A CA 1.346 53.402 52.037 0.031 0.000 0.750 63 A CB -0.865 18.146 19.000 0.018 0.000 0.780 63 A HN 0.933 nan 8.150 nan 0.000 0.478 64 D N -3.929 116.494 120.400 0.038 0.000 2.398 64 D HA 0.365 4.957 4.640 -0.080 0.000 0.210 64 D C 1.056 177.377 176.300 0.036 0.000 1.094 64 D CA 0.705 54.726 54.000 0.035 0.000 0.839 64 D CB 0.062 40.885 40.800 0.038 0.000 0.963 64 D HN 0.461 nan 8.370 nan 0.000 0.506 65 G N -0.371 108.453 108.800 0.041 0.000 2.176 65 G HA2 -0.139 3.773 3.960 -0.080 0.000 0.232 65 G HA3 -0.139 3.773 3.960 -0.080 0.000 0.232 65 G C 0.483 175.403 174.900 0.033 0.000 0.986 65 G CA -0.190 44.930 45.100 0.033 0.000 0.643 65 G HN 0.778 nan 8.290 nan 0.000 0.522 66 A N 0.061 122.915 122.820 0.056 0.000 2.401 66 A HA 0.688 4.960 4.320 -0.080 0.000 0.259 66 A C 0.324 177.958 177.584 0.082 0.000 1.103 66 A CA 0.993 53.061 52.037 0.052 0.000 0.789 66 A CB 0.704 19.789 19.000 0.142 0.000 1.035 66 A HN 0.886 nan 8.150 nan 0.000 0.491 67 Q N 1.652 121.439 119.800 -0.023 0.000 2.305 67 Q HA 0.548 4.841 4.340 -0.080 0.000 0.271 67 Q C -2.252 173.707 176.000 -0.067 0.000 1.046 67 Q CA -0.449 55.388 55.803 0.057 0.000 0.798 67 Q CB 1.536 30.296 28.738 0.037 0.000 1.286 67 Q HN 0.729 nan 8.270 nan 0.000 0.435 68 Y N 2.008 122.405 120.300 0.163 0.000 2.326 68 Y HA 0.348 4.850 4.550 -0.081 0.000 0.331 68 Y C -0.694 175.371 175.900 0.275 0.000 0.962 68 Y CA -0.819 57.396 58.100 0.192 0.000 1.167 68 Y CB 1.699 40.272 38.460 0.188 0.000 1.148 68 Y HN 0.570 nan 8.280 nan 0.000 0.463 69 D N 4.219 124.809 120.400 0.317 0.000 2.163 69 D HA 0.565 5.157 4.640 -0.080 0.000 0.248 69 D C -0.711 175.810 176.300 0.368 0.000 1.035 69 D CA -0.043 54.102 54.000 0.242 0.000 0.872 69 D CB 1.526 42.383 40.800 0.094 0.000 1.183 69 D HN 0.383 nan 8.370 nan 0.000 0.445 70 F N -1.688 118.351 119.950 0.149 0.000 2.713 70 F HA 0.456 4.934 4.527 -0.081 0.000 0.311 70 F C -1.155 174.765 175.800 0.201 0.000 1.141 70 F CA -1.226 56.854 58.000 0.133 0.000 0.939 70 F CB 1.053 40.120 39.000 0.112 0.000 1.325 70 F HN -0.113 nan 8.300 nan 0.000 0.453 71 D N 1.455 122.031 120.400 0.294 0.000 2.210 71 D HA 0.676 5.269 4.640 -0.080 0.000 0.249 71 D C -0.634 176.021 176.300 0.592 0.000 1.062 71 D CA 0.152 54.322 54.000 0.283 0.000 0.891 71 D CB 1.827 42.644 40.800 0.028 0.000 1.186 71 D HN 0.980 nan 8.370 nan 0.000 0.432 72 A N 2.031 125.310 122.820 0.764 0.000 2.572 72 A HA 0.531 4.803 4.320 -0.080 0.000 0.295 72 A C -1.080 176.799 177.584 0.492 0.000 1.072 72 A CA -0.733 51.757 52.037 0.754 0.000 0.691 72 A CB 1.641 21.057 19.000 0.692 0.000 1.291 72 A HN 0.432 nan 8.150 nan 0.000 0.404 73 Q N 0.840 120.690 119.800 0.083 0.000 2.331 73 Q HA 0.495 4.787 4.340 -0.080 0.000 0.267 73 Q C -1.191 174.637 176.000 -0.287 0.000 1.006 73 Q CA -0.698 54.951 55.803 -0.257 0.000 0.818 73 Q CB 2.309 30.703 28.738 -0.574 0.000 1.276 73 Q HN 0.534 nan 8.270 nan 0.000 0.450 74 V N 5.109 124.781 119.914 -0.403 0.000 2.356 74 V HA 0.183 4.255 4.120 -0.080 0.000 0.258 74 V C 0.402 176.312 176.094 -0.308 0.000 1.065 74 V CA 0.143 62.081 62.300 -0.604 0.000 0.935 74 V CB 0.041 31.350 31.823 -0.856 0.000 1.061 74 V HN 0.787 nan 8.190 nan 0.000 0.484 75 M N 3.018 122.506 119.600 -0.187 0.000 2.116 75 M HA 0.573 5.005 4.480 -0.080 0.000 0.235 75 M C 0.978 177.272 176.300 -0.010 0.000 1.193 75 M CA -0.274 55.002 55.300 -0.040 0.000 0.959 75 M CB 0.374 33.017 32.600 0.072 0.000 1.313 75 M HN 0.596 nan 8.290 nan 0.000 0.530 76 A N 0.357 123.209 122.820 0.053 0.000 2.507 76 A HA 0.232 4.505 4.320 -0.080 0.000 0.235 76 A C 0.465 178.072 177.584 0.040 0.000 1.070 76 A CA -0.077 51.972 52.037 0.019 0.000 0.768 76 A CB -0.398 18.595 19.000 -0.011 0.000 1.011 76 A HN 0.989 nan 8.150 nan 0.000 0.502 77 M N -0.139 119.466 119.600 0.007 0.000 2.360 77 M HA -0.200 4.233 4.480 -0.080 0.000 0.202 77 M C 0.613 177.033 176.300 0.199 0.000 0.390 77 M CA 1.138 56.490 55.300 0.087 0.000 0.470 77 M CB -1.531 31.144 32.600 0.125 0.000 1.637 77 M HN 0.978 nan 8.290 nan 0.000 0.885 78 R N 0.442 120.994 120.500 0.086 0.000 3.301 78 R HA -0.218 4.075 4.340 -0.080 0.000 0.249 78 R C -0.508 175.912 176.300 0.201 0.000 0.964 78 R CA 1.239 57.368 56.100 0.048 0.000 0.653 78 R CB -1.171 29.156 30.300 0.044 0.000 1.043 78 R HN 0.662 nan 8.270 nan 0.000 0.454 79 H N -0.253 118.796 119.070 -0.035 0.000 2.552 79 H HA 0.244 4.749 4.556 -0.084 0.000 0.311 79 H C -0.920 174.340 175.328 -0.113 0.000 1.071 79 H CA -0.329 55.706 56.048 -0.023 0.000 1.307 79 H CB 0.407 30.125 29.762 -0.073 0.000 1.416 79 H HN 0.246 nan 8.280 nan 0.000 0.464 80 W N 6.427 127.383 121.300 -0.572 0.000 2.433 80 W HA 0.264 4.892 4.660 -0.055 0.000 0.331 80 W C 0.412 176.658 176.519 -0.455 0.000 1.110 80 W CA -0.673 56.433 57.345 -0.399 0.000 1.450 80 W CB 0.213 29.499 29.460 -0.289 0.000 1.348 80 W HN 0.452 nan 8.180 nan 0.000 0.415 81 R N 4.650 125.093 120.500 -0.095 0.000 2.210 81 R HA 0.460 4.752 4.340 -0.080 0.000 0.338 81 R C -0.841 175.636 176.300 0.295 0.000 1.062 81 R CA -0.141 56.008 56.100 0.082 0.000 0.902 81 R CB 0.063 30.440 30.300 0.129 0.000 1.050 81 R HN 0.527 nan 8.270 nan 0.000 0.461 82 I N 7.145 127.845 120.570 0.218 0.000 2.447 82 I HA 0.334 4.456 4.170 -0.080 0.000 0.287 82 I C -2.219 173.953 176.117 0.093 0.000 1.023 82 I CA -2.779 58.654 61.300 0.222 0.000 1.083 82 I CB 2.399 40.462 38.000 0.104 0.000 1.245 82 I HN 0.483 nan 8.210 nan 0.000 0.434 83 P HA 0.210 nan 4.420 nan 0.000 0.276 83 P C -2.209 175.056 177.300 -0.057 0.000 1.243 83 P CA -1.461 61.591 63.100 -0.080 0.000 0.768 83 P CB 0.377 31.932 31.700 -0.242 0.000 0.856 84 P HA -0.148 nan 4.420 nan 0.000 0.218 84 P C 1.060 178.322 177.300 -0.063 0.000 1.149 84 P CA 1.430 64.486 63.100 -0.073 0.000 0.817 84 P CB 0.031 31.681 31.700 -0.084 0.000 0.785 85 E N -0.481 119.683 120.200 -0.061 0.000 2.478 85 E HA -0.052 4.250 4.350 -0.080 0.000 0.198 85 E C 1.791 178.369 176.600 -0.036 0.000 1.046 85 E CA 0.860 57.230 56.400 -0.051 0.000 0.870 85 E CB -0.549 29.119 29.700 -0.053 0.000 0.818 85 E HN 0.361 nan 8.360 nan 0.000 0.527 86 S N -0.099 115.583 115.700 -0.030 0.000 2.527 86 S HA 0.058 4.480 4.470 -0.080 0.000 0.222 86 S C 1.044 175.686 174.600 0.070 0.000 0.985 86 S CA -0.231 57.970 58.200 0.002 0.000 0.921 86 S CB -0.230 62.961 63.200 -0.015 0.000 0.772 86 S HN 0.054 nan 8.310 nan 0.000 0.529 87 I N 2.493 123.102 120.570 0.066 0.000 2.416 87 I HA 0.298 4.421 4.170 -0.080 0.000 0.288 87 I C -0.843 175.317 176.117 0.073 0.000 1.051 87 I CA -0.542 60.825 61.300 0.111 0.000 1.375 87 I CB 1.299 39.316 38.000 0.028 0.000 1.407 87 I HN -0.004 nan 8.210 nan 0.000 0.516 88 V N 6.856 126.829 119.914 0.099 0.000 2.482 88 V HA 0.297 4.370 4.120 -0.080 0.000 0.295 88 V C -0.108 175.966 176.094 -0.033 0.000 1.026 88 V CA -0.845 61.471 62.300 0.026 0.000 0.856 88 V CB 1.706 33.541 31.823 0.021 0.000 1.001 88 V HN 0.644 nan 8.190 nan 0.000 0.424 89 K N 3.388 123.710 120.400 -0.129 0.000 2.185 89 K HA 0.698 4.970 4.320 -0.080 0.000 0.269 89 K C -0.281 176.192 176.600 -0.212 0.000 0.987 89 K CA -0.247 55.833 56.287 -0.346 0.000 0.865 89 K CB 1.380 33.607 32.500 -0.455 0.000 1.090 89 K HN 0.842 nan 8.250 nan 0.000 0.450 90 T N -0.152 114.277 114.554 -0.208 0.000 2.824 90 T HA 0.391 4.693 4.350 -0.080 0.000 0.282 90 T C -0.528 174.104 174.700 -0.114 0.000 0.993 90 T CA -0.886 61.143 62.100 -0.117 0.000 0.967 90 T CB 1.501 70.331 68.868 -0.063 0.000 0.960 90 T HN 0.173 nan 8.240 nan 0.000 0.441 91 V N 2.801 122.672 119.914 -0.072 0.000 2.311 91 V HA 0.629 4.701 4.120 -0.080 0.000 0.275 91 V C 0.941 177.024 176.094 -0.018 0.000 1.022 91 V CA -0.201 62.075 62.300 -0.039 0.000 0.830 91 V CB -0.071 31.739 31.823 -0.021 0.000 1.012 91 V HN 1.561 nan 8.190 nan 0.000 0.452 92 A N 4.388 127.202 122.820 -0.009 0.000 2.610 92 A HA 0.030 4.302 4.320 -0.080 0.000 0.299 92 A C 1.765 179.345 177.584 -0.006 0.000 1.487 92 A CA 1.286 53.322 52.037 -0.002 0.000 0.743 92 A CB -1.520 17.482 19.000 0.003 0.000 1.070 92 A HN 2.540 nan 8.150 nan 0.000 0.439 93 G N -3.420 105.373 108.800 -0.011 0.000 2.234 93 G HA2 -0.057 3.855 3.960 -0.080 0.000 0.260 93 G HA3 -0.057 3.855 3.960 -0.080 0.000 0.260 93 G C 0.405 175.295 174.900 -0.015 0.000 0.987 93 G CA 0.503 45.596 45.100 -0.011 0.000 0.625 93 G HN 1.911 nan 8.290 nan 0.000 0.532 94 V N 2.563 122.466 119.914 -0.018 0.000 2.370 94 V HA 0.480 4.552 4.120 -0.080 0.000 0.279 94 V C -1.752 174.325 176.094 -0.028 0.000 1.029 94 V CA -1.700 60.590 62.300 -0.018 0.000 0.870 94 V CB 1.602 33.419 31.823 -0.011 0.000 0.984 94 V HN 0.098 nan 8.190 nan 0.000 0.451 95 P HA 0.332 nan 4.420 nan 0.000 0.268 95 P C -0.594 176.687 177.300 -0.032 0.000 1.204 95 P CA 0.303 63.382 63.100 -0.035 0.000 0.768 95 P CB 0.694 32.379 31.700 -0.025 0.000 0.842 96 A N 4.495 127.287 122.820 -0.047 0.000 2.469 96 A HA 0.771 5.044 4.320 -0.080 0.000 0.299 96 A C -2.708 174.861 177.584 -0.024 0.000 1.098 96 A CA -1.814 50.206 52.037 -0.029 0.000 0.737 96 A CB 0.389 19.370 19.000 -0.032 0.000 1.312 96 A HN 0.311 nan 8.150 nan 0.000 0.414 97 P HA 0.312 nan 4.420 nan 0.000 0.271 97 P C -0.706 176.605 177.300 0.018 0.000 1.218 97 P CA -0.161 62.946 63.100 0.012 0.000 0.780 97 P CB 0.333 32.056 31.700 0.037 0.000 0.901 98 L N 2.835 124.061 121.223 0.005 0.000 2.462 98 L HA 0.146 4.438 4.340 -0.080 0.000 0.272 98 L C 0.627 177.505 176.870 0.012 0.000 1.166 98 L CA 0.652 55.504 54.840 0.020 0.000 0.880 98 L CB 0.014 42.056 42.059 -0.028 0.000 1.142 98 L HN 0.398 nan 8.230 nan 0.000 0.473 99 D N 2.627 123.070 120.400 0.072 0.000 2.476 99 D HA 0.313 4.905 4.640 -0.080 0.000 0.251 99 D C 0.489 176.852 176.300 0.106 0.000 1.291 99 D CA -0.365 53.681 54.000 0.077 0.000 0.939 99 D CB 2.039 42.922 40.800 0.138 0.000 1.221 99 D HN 0.520 nan 8.370 nan 0.000 0.567 100 A N 3.675 126.503 122.820 0.013 0.000 1.933 100 A HA -0.156 4.116 4.320 -0.080 0.000 0.218 100 A C 1.863 179.543 177.584 0.159 0.000 1.175 100 A CA 0.957 53.027 52.037 0.054 0.000 0.628 100 A CB -0.265 18.696 19.000 -0.064 0.000 0.814 100 A HN 0.544 nan 8.150 nan 0.000 0.444 101 L N -0.384 120.918 121.223 0.132 0.000 2.056 101 L HA -0.142 4.150 4.340 -0.080 0.000 0.207 101 L C 2.447 179.414 176.870 0.163 0.000 1.078 101 L CA 2.161 57.090 54.840 0.149 0.000 0.749 101 L CB -0.719 41.433 42.059 0.154 0.000 0.901 101 L HN 0.497 nan 8.230 nan 0.000 0.433 102 Q N -1.788 118.120 119.800 0.181 0.000 2.124 102 Q HA -0.253 4.039 4.340 -0.080 0.000 0.202 102 Q C 2.144 178.278 176.000 0.222 0.000 0.977 102 Q CA 1.968 57.881 55.803 0.184 0.000 0.850 102 Q CB -0.284 28.569 28.738 0.192 0.000 0.901 102 Q HN 0.527 nan 8.270 nan 0.000 0.429 103 F N 0.243 120.257 119.950 0.107 0.000 2.102 103 F HA -0.224 4.256 4.527 -0.079 0.000 0.298 103 F C 1.947 177.777 175.800 0.051 0.000 1.105 103 F CA 1.102 59.138 58.000 0.059 0.000 1.239 103 F CB -0.429 38.544 39.000 -0.044 0.000 0.991 103 F HN -0.179 nan 8.300 nan 0.000 0.474 104 V N 0.943 120.883 119.914 0.044 0.000 2.287 104 V HA -0.340 3.733 4.120 -0.080 0.000 0.248 104 V C 2.481 178.530 176.094 -0.074 0.000 1.053 104 V CA 2.300 64.592 62.300 -0.013 0.000 1.027 104 V CB -0.691 31.252 31.823 0.200 0.000 0.646 104 V HN 0.378 nan 8.190 nan 0.000 0.447 105 I N -0.197 120.374 120.570 0.002 0.000 2.208 105 I HA -0.274 3.849 4.170 -0.080 0.000 0.245 105 I C 2.488 178.578 176.117 -0.046 0.000 1.097 105 I CA 1.753 63.051 61.300 -0.003 0.000 1.363 105 I CB -0.450 37.574 38.000 0.041 0.000 1.051 105 I HN 0.357 nan 8.210 nan 0.000 0.413 106 E N 0.721 120.891 120.200 -0.051 0.000 2.204 106 E HA -0.178 4.124 4.350 -0.080 0.000 0.195 106 E C 1.749 178.263 176.600 -0.143 0.000 0.990 106 E CA 1.192 57.563 56.400 -0.048 0.000 0.821 106 E CB -0.083 29.650 29.700 0.056 0.000 0.750 106 E HN 0.686 nan 8.360 nan 0.000 0.477 107 I N -1.236 119.162 120.570 -0.286 0.000 3.914 107 I HA 0.173 4.295 4.170 -0.080 0.000 0.333 107 I C 1.814 177.783 176.117 -0.246 0.000 1.449 107 I CA -0.336 60.776 61.300 -0.313 0.000 1.135 107 I CB 0.183 37.868 38.000 -0.525 0.000 1.073 107 I HN -0.104 nan 8.210 nan 0.000 0.401 108 R N 0.366 120.762 120.500 -0.174 0.000 2.127 108 R HA -0.174 4.119 4.340 -0.080 0.000 0.238 108 R C 0.880 177.101 176.300 -0.132 0.000 1.134 108 R CA 1.927 57.940 56.100 -0.145 0.000 0.975 108 R CB -0.746 29.502 30.300 -0.086 0.000 0.865 108 R HN 0.278 nan 8.270 nan 0.000 0.447 109 D N 1.014 121.350 120.400 -0.108 0.000 2.144 109 D HA -0.086 4.506 4.640 -0.080 0.000 0.199 109 D C 1.523 177.760 176.300 -0.106 0.000 0.984 109 D CA 1.367 55.314 54.000 -0.088 0.000 0.834 109 D CB 0.051 40.814 40.800 -0.062 0.000 0.955 109 D HN 0.377 nan 8.370 nan 0.000 0.465 110 K N -0.270 120.048 120.400 -0.136 0.000 2.296 110 K HA 0.073 4.345 4.320 -0.080 0.000 0.200 110 K C 2.051 178.538 176.600 -0.189 0.000 1.048 110 K CA 0.258 56.459 56.287 -0.144 0.000 0.966 110 K CB 0.209 32.615 32.500 -0.157 0.000 0.754 110 K HN 0.185 nan 8.250 nan 0.000 0.466 111 L N 0.026 121.103 121.223 -0.243 0.000 2.109 111 L HA -0.001 4.291 4.340 -0.080 0.000 0.207 111 L C 1.202 177.939 176.870 -0.223 0.000 1.086 111 L CA 0.911 55.569 54.840 -0.304 0.000 0.760 111 L CB -0.479 41.353 42.059 -0.378 0.000 0.910 111 L HN 0.427 nan 8.230 nan 0.000 0.437 112 G N 1.038 109.737 108.800 -0.169 0.000 2.225 112 G HA2 -0.275 3.637 3.960 -0.080 0.000 0.264 112 G HA3 -0.275 3.637 3.960 -0.080 0.000 0.264 112 G C -0.052 174.768 174.900 -0.133 0.000 1.060 112 G CA -0.223 44.800 45.100 -0.127 0.000 0.833 112 G HN 0.174 nan 8.290 nan 0.000 0.498 113 L N 1.496 122.627 121.223 -0.153 0.000 2.367 113 L HA 0.357 4.649 4.340 -0.080 0.000 0.275 113 L C -1.024 175.796 176.870 -0.084 0.000 1.129 113 L CA -1.796 52.961 54.840 -0.138 0.000 0.839 113 L CB 0.670 42.633 42.059 -0.159 0.000 1.133 113 L HN 0.048 nan 8.230 nan 0.000 0.453 114 P HA -0.031 nan 4.420 nan 0.000 0.265 114 P C 0.845 178.127 177.300 -0.030 0.000 1.193 114 P CA -0.218 62.858 63.100 -0.042 0.000 0.765 114 P CB 0.737 32.417 31.700 -0.033 0.000 0.823 115 V N 1.076 120.977 119.914 -0.023 0.000 2.982 115 V HA -0.186 3.886 4.120 -0.080 0.000 0.265 115 V C 1.834 177.926 176.094 -0.003 0.000 1.122 115 V CA 1.983 64.276 62.300 -0.012 0.000 1.143 115 V CB -1.146 30.671 31.823 -0.010 0.000 0.726 115 V HN 0.549 nan 8.190 nan 0.000 0.507 116 D N 0.084 120.482 120.400 -0.004 0.000 2.271 116 D HA -0.059 4.534 4.640 -0.080 0.000 0.206 116 D C 2.259 178.564 176.300 0.009 0.000 0.967 116 D CA 0.586 54.589 54.000 0.004 0.000 0.867 116 D CB 0.206 41.007 40.800 0.001 0.000 0.960 116 D HN 0.361 nan 8.370 nan 0.000 0.509 117 R N -0.303 120.199 120.500 0.004 0.000 2.254 117 R HA 0.163 4.455 4.340 -0.080 0.000 0.193 117 R C 1.849 178.174 176.300 0.042 0.000 0.929 117 R CA 0.184 56.293 56.100 0.014 0.000 1.038 117 R CB -0.593 29.703 30.300 -0.007 0.000 1.009 117 R HN 0.093 nan 8.270 nan 0.000 0.512 118 L N 1.481 122.721 121.223 0.029 0.000 2.013 118 L HA 0.026 4.318 4.340 -0.080 0.000 0.212 118 L C -1.121 175.809 176.870 0.101 0.000 1.073 118 L CA 2.034 56.908 54.840 0.058 0.000 0.753 118 L CB -0.913 41.158 42.059 0.020 0.000 0.890 118 L HN 0.128 nan 8.230 nan 0.000 0.432 119 P HA -0.128 nan 4.420 nan 0.000 0.218 119 P C 2.083 179.423 177.300 0.068 0.000 1.149 119 P CA 1.608 64.746 63.100 0.063 0.000 0.817 119 P CB -0.060 31.665 31.700 0.042 0.000 0.785 120 I N -2.221 118.391 120.570 0.071 0.000 2.202 120 I HA -0.266 3.857 4.170 -0.080 0.000 0.242 120 I C 2.469 178.635 176.117 0.081 0.000 1.091 120 I CA 1.441 62.777 61.300 0.061 0.000 1.368 120 I CB -0.684 37.345 38.000 0.048 0.000 1.058 120 I HN -0.106 nan 8.210 nan 0.000 0.410 121 Y N 1.299 121.602 120.300 0.004 0.000 2.165 121 Y HA -0.320 4.182 4.550 -0.081 0.000 0.286 121 Y C 2.646 178.567 175.900 0.035 0.000 1.155 121 Y CA 1.815 59.924 58.100 0.016 0.000 1.164 121 Y CB -0.119 38.349 38.460 0.013 0.000 0.978 121 Y HN 0.038 nan 8.280 nan 0.000 0.513 122 M N -0.280 119.381 119.600 0.100 0.000 2.080 122 M HA -0.267 4.166 4.480 -0.080 0.000 0.260 122 M C 1.582 177.880 176.300 -0.004 0.000 1.068 122 M CA 1.989 57.316 55.300 0.045 0.000 1.109 122 M CB -0.365 32.286 32.600 0.086 0.000 1.342 122 M HN 0.191 nan 8.290 nan 0.000 0.405 123 D N 0.223 120.628 120.400 0.007 0.000 2.144 123 D HA -0.136 4.456 4.640 -0.080 0.000 0.199 123 D C 1.886 178.174 176.300 -0.021 0.000 0.984 123 D CA 1.149 55.154 54.000 0.009 0.000 0.834 123 D CB -0.235 40.576 40.800 0.017 0.000 0.955 123 D HN 0.444 nan 8.370 nan 0.000 0.465 124 E N 0.100 120.250 120.200 -0.084 0.000 2.077 124 E HA -0.131 4.171 4.350 -0.080 0.000 0.193 124 E C 2.162 178.672 176.600 -0.149 0.000 0.989 124 E CA 0.416 56.738 56.400 -0.131 0.000 0.800 124 E CB 0.086 29.666 29.700 -0.201 0.000 0.746 124 E HN 0.250 nan 8.360 nan 0.000 0.452 125 I N 1.246 121.685 120.570 -0.219 0.000 2.179 125 I HA -0.228 3.894 4.170 -0.080 0.000 0.242 125 I C 2.371 178.477 176.117 -0.018 0.000 1.088 125 I CA 1.479 62.691 61.300 -0.147 0.000 1.357 125 I CB -1.358 36.562 38.000 -0.134 0.000 1.051 125 I HN 0.125 nan 8.210 nan 0.000 0.409 126 T N 0.088 114.669 114.554 0.045 0.000 2.746 126 T HA -0.174 4.128 4.350 -0.080 0.000 0.267 126 T C 2.127 176.951 174.700 0.206 0.000 1.039 126 T CA 1.963 64.161 62.100 0.163 0.000 1.142 126 T CB -0.262 68.697 68.868 0.150 0.000 0.866 126 T HN 0.305 nan 8.240 nan 0.000 0.444 127 S N 0.247 116.033 115.700 0.142 0.000 2.383 127 S HA -0.126 4.296 4.470 -0.080 0.000 0.227 127 S C 2.200 176.869 174.600 0.116 0.000 1.026 127 S CA 1.654 59.983 58.200 0.215 0.000 0.981 127 S CB -0.718 62.570 63.200 0.147 0.000 0.818 127 S HN 0.514 nan 8.310 nan 0.000 0.472 128 T N 2.797 117.371 114.554 0.034 0.000 2.684 128 T HA -0.016 4.287 4.350 -0.080 0.000 0.267 128 T C 1.692 176.384 174.700 -0.014 0.000 1.036 128 T CA 1.557 63.649 62.100 -0.013 0.000 1.148 128 T CB -0.416 68.427 68.868 -0.041 0.000 0.863 128 T HN 0.324 nan 8.240 nan 0.000 0.436 129 L N 0.443 121.667 121.223 0.002 0.000 2.017 129 L HA -0.139 4.153 4.340 -0.080 0.000 0.208 129 L C 2.604 179.566 176.870 0.153 0.000 1.073 129 L CA 1.887 56.688 54.840 -0.065 0.000 0.745 129 L CB -0.645 41.261 42.059 -0.255 0.000 0.894 129 L HN 0.463 nan 8.230 nan 0.000 0.432 130 H N -0.417 118.823 119.070 0.283 0.000 2.353 130 H HA -0.105 4.403 4.556 -0.079 0.000 0.300 130 H C 2.007 177.459 175.328 0.207 0.000 1.090 130 H CA 1.616 57.870 56.048 0.343 0.000 1.327 130 H CB -0.637 29.243 29.762 0.196 0.000 1.383 130 H HN 0.169 nan 8.280 nan 0.000 0.508 131 G N -0.449 107.997 108.800 -0.589 0.000 2.422 131 G HA2 -0.302 3.610 3.960 -0.080 0.000 0.218 131 G HA3 -0.302 3.610 3.960 -0.080 0.000 0.218 131 G C 1.994 176.907 174.900 0.022 0.000 1.146 131 G CA 0.872 45.739 45.100 -0.389 0.000 0.769 131 G HN 0.535 nan 8.290 nan 0.000 0.547 132 S N 0.693 116.428 115.700 0.059 0.000 2.356 132 S HA 0.011 4.433 4.470 -0.080 0.000 0.223 132 S C 2.770 177.520 174.600 0.250 0.000 1.032 132 S CA 1.634 59.928 58.200 0.157 0.000 1.005 132 S CB -0.496 62.740 63.200 0.059 0.000 0.867 132 S HN 0.551 nan 8.310 nan 0.000 0.449 133 A N 0.092 123.055 122.820 0.238 0.000 1.908 133 A HA -0.127 4.145 4.320 -0.080 0.000 0.218 133 A C 2.035 179.830 177.584 0.353 0.000 1.181 133 A CA 1.899 54.134 52.037 0.330 0.000 0.627 133 A CB -1.234 18.069 19.000 0.505 0.000 0.818 133 A HN 0.776 nan 8.150 nan 0.000 0.445 134 Y N 0.546 120.956 120.300 0.184 0.000 2.145 134 Y HA -0.174 4.328 4.550 -0.080 0.000 0.286 134 Y C 2.303 178.247 175.900 0.074 0.000 1.145 134 Y CA 2.277 60.380 58.100 0.005 0.000 1.148 134 Y CB -0.159 38.135 38.460 -0.276 0.000 0.981 134 Y HN 0.250 nan 8.280 nan 0.000 0.507 135 K N -1.029 119.505 120.400 0.224 0.000 2.097 135 K HA -0.184 4.089 4.320 -0.080 0.000 0.205 135 K C 1.930 178.508 176.600 -0.036 0.000 1.050 135 K CA 1.473 57.819 56.287 0.098 0.000 0.938 135 K CB -0.356 32.210 32.500 0.110 0.000 0.718 135 K HN 0.509 nan 8.250 nan 0.000 0.442 136 H N -1.011 118.069 119.070 0.017 0.000 2.495 136 H HA -0.009 4.499 4.556 -0.080 0.000 0.287 136 H C 1.941 177.258 175.328 -0.019 0.000 1.033 136 H CA 1.309 57.357 56.048 -0.000 0.000 1.307 136 H CB 0.365 30.131 29.762 0.007 0.000 1.401 136 H HN 0.322 nan 8.280 nan 0.000 0.555 137 G N 0.894 109.732 108.800 0.063 0.000 2.887 137 G HA2 -0.029 3.884 3.960 -0.080 0.000 0.211 137 G HA3 -0.029 3.884 3.960 -0.080 0.000 0.211 137 G C 0.859 175.702 174.900 -0.096 0.000 1.152 137 G CA -0.449 44.656 45.100 0.008 0.000 0.769 137 G HN 0.306 nan 8.290 nan 0.000 0.541 138 R N -0.148 120.226 120.500 -0.210 0.000 2.649 138 R HA 0.462 4.754 4.340 -0.080 0.000 0.270 138 R C -0.656 175.575 176.300 -0.114 0.000 1.105 138 R CA -0.389 55.560 56.100 -0.251 0.000 1.193 138 R CB -0.285 29.763 30.300 -0.420 0.000 1.120 138 R HN -0.150 nan 8.270 nan 0.000 0.561 139 T N 1.970 116.474 114.554 -0.082 0.000 2.793 139 T HA 0.120 4.422 4.350 -0.080 0.000 0.289 139 T C -0.218 174.459 174.700 -0.038 0.000 0.956 139 T CA 0.389 62.463 62.100 -0.043 0.000 1.177 139 T CB 0.073 68.926 68.868 -0.026 0.000 0.897 139 T HN 0.708 nan 8.240 nan 0.000 0.533 140 T N 1.685 116.221 114.554 -0.029 0.000 2.906 140 T HA 0.671 4.974 4.350 -0.080 0.000 0.295 140 T C -0.487 174.205 174.700 -0.013 0.000 1.061 140 T CA -1.139 60.947 62.100 -0.023 0.000 1.000 140 T CB 0.994 69.848 68.868 -0.023 0.000 1.103 140 T HN 0.139 nan 8.240 nan 0.000 0.486 141 L N 2.296 123.511 121.223 -0.014 0.000 2.397 141 L HA 0.590 4.882 4.340 -0.080 0.000 0.271 141 L C 1.388 178.263 176.870 0.009 0.000 1.148 141 L CA 0.328 55.162 54.840 -0.010 0.000 0.825 141 L CB 0.291 42.337 42.059 -0.023 0.000 1.117 141 L HN 1.072 nan 8.230 nan 0.000 0.456 142 G N 0.939 109.744 108.800 0.008 0.000 2.634 142 G HA2 0.371 4.283 3.960 -0.080 0.000 0.255 142 G HA3 0.371 4.283 3.960 -0.080 0.000 0.255 142 G C 0.927 175.845 174.900 0.030 0.000 1.205 142 G CA 0.029 45.140 45.100 0.018 0.000 0.884 142 G HN 0.919 nan 8.290 nan 0.000 0.549 143 A N 0.606 123.451 122.820 0.041 0.000 1.892 143 A HA 0.023 4.295 4.320 -0.080 0.000 0.218 143 A C 2.788 180.381 177.584 0.016 0.000 1.188 143 A CA 2.865 54.934 52.037 0.055 0.000 0.631 143 A CB -0.954 18.063 19.000 0.028 0.000 0.822 143 A HN 1.385 nan 8.150 nan 0.000 0.447 144 A N -0.410 122.409 122.820 -0.001 0.000 1.902 144 A HA 0.153 4.425 4.320 -0.080 0.000 0.217 144 A C 2.506 180.086 177.584 -0.008 0.000 1.181 144 A CA 2.223 54.254 52.037 -0.010 0.000 0.623 144 A CB -0.988 18.004 19.000 -0.013 0.000 0.818 144 A HN 1.119 nan 8.150 nan 0.000 0.443 145 A N -0.989 121.828 122.820 -0.006 0.000 1.929 145 A HA 0.061 4.333 4.320 -0.080 0.000 0.216 145 A C 2.071 179.646 177.584 -0.015 0.000 1.176 145 A CA 1.566 53.598 52.037 -0.008 0.000 0.628 145 A CB -0.492 18.503 19.000 -0.008 0.000 0.816 145 A HN 0.500 nan 8.150 nan 0.000 0.444 146 L N -0.248 120.962 121.223 -0.021 0.000 2.093 146 L HA 0.003 4.295 4.340 -0.080 0.000 0.208 146 L C 2.694 179.542 176.870 -0.037 0.000 1.085 146 L CA 1.741 56.551 54.840 -0.049 0.000 0.755 146 L CB -0.719 41.285 42.059 -0.091 0.000 0.904 146 L HN 0.357 nan 8.230 nan 0.000 0.435 147 A N 0.077 122.886 122.820 -0.019 0.000 2.076 147 A HA -0.205 4.067 4.320 -0.080 0.000 0.220 147 A C 2.143 179.730 177.584 0.006 0.000 1.160 147 A CA 1.800 53.833 52.037 -0.008 0.000 0.653 147 A CB -0.578 18.413 19.000 -0.015 0.000 0.801 147 A HN 0.638 nan 8.150 nan 0.000 0.455 148 R N -1.558 118.943 120.500 0.002 0.000 2.543 148 R HA 0.580 4.873 4.340 -0.080 0.000 0.323 148 R C 0.495 176.801 176.300 0.009 0.000 1.002 148 R CA 0.471 56.577 56.100 0.011 0.000 1.106 148 R CB -0.209 30.096 30.300 0.010 0.000 1.280 148 R HN 0.259 nan 8.270 nan 0.000 0.549 149 A N 2.014 124.834 122.820 0.000 0.000 2.259 149 A HA 0.194 4.466 4.320 -0.080 0.000 0.278 149 A C 0.023 177.615 177.584 0.014 0.000 1.107 149 A CA -0.430 51.606 52.037 -0.002 0.000 0.828 149 A CB 0.270 19.256 19.000 -0.023 0.000 1.111 149 A HN 0.535 nan 8.150 nan 0.000 0.498 150 D N -0.824 119.585 120.400 0.016 0.000 2.371 150 D HA -0.034 4.558 4.640 -0.080 0.000 0.242 150 D C 0.872 177.206 176.300 0.057 0.000 1.218 150 D CA -0.151 53.875 54.000 0.043 0.000 0.945 150 D CB 0.424 41.247 40.800 0.039 0.000 1.137 150 D HN 0.665 nan 8.370 nan 0.000 0.464 151 Y N 0.378 120.635 120.300 -0.072 0.000 2.040 151 Y HA -0.332 4.170 4.550 -0.080 0.000 0.275 151 Y C 2.495 178.303 175.900 -0.152 0.000 1.171 151 Y CA 1.652 59.684 58.100 -0.113 0.000 1.123 151 Y CB 0.129 38.498 38.460 -0.150 0.000 0.963 151 Y HN 0.288 nan 8.280 nan 0.000 0.493 152 Q N -0.431 119.135 119.800 -0.390 0.000 2.172 152 Q HA -0.112 4.180 4.340 -0.080 0.000 0.200 152 Q C 2.220 178.077 176.000 -0.238 0.000 0.964 152 Q CA 1.736 57.255 55.803 -0.473 0.000 0.855 152 Q CB -0.506 28.019 28.738 -0.355 0.000 0.918 152 Q HN 0.522 nan 8.270 nan 0.000 0.444 153 T N 1.672 116.144 114.554 -0.137 0.000 2.720 153 T HA -0.089 4.214 4.350 -0.080 0.000 0.268 153 T C 2.006 176.635 174.700 -0.118 0.000 1.037 153 T CA 0.969 63.012 62.100 -0.094 0.000 1.144 153 T CB -0.164 68.671 68.868 -0.055 0.000 0.864 153 T HN 0.206 nan 8.240 nan 0.000 0.444 154 I N 0.680 121.178 120.570 -0.119 0.000 2.202 154 I HA -0.146 3.976 4.170 -0.080 0.000 0.242 154 I C 2.730 178.754 176.117 -0.155 0.000 1.091 154 I CA 1.269 62.492 61.300 -0.129 0.000 1.368 154 I CB -0.352 37.610 38.000 -0.064 0.000 1.058 154 I HN 0.208 nan 8.210 nan 0.000 0.410 155 E N 1.128 121.209 120.200 -0.199 0.000 2.058 155 E HA -0.246 4.056 4.350 -0.080 0.000 0.194 155 E C 2.041 178.556 176.600 -0.142 0.000 0.997 155 E CA 2.412 58.690 56.400 -0.203 0.000 0.801 155 E CB -0.188 29.290 29.700 -0.370 0.000 0.746 155 E HN 0.541 nan 8.360 nan 0.000 0.450 156 T N -2.962 111.511 114.554 -0.134 0.000 3.088 156 T HA 0.124 4.427 4.350 -0.080 0.000 0.259 156 T C 1.654 176.316 174.700 -0.064 0.000 1.122 156 T CA 0.692 62.743 62.100 -0.081 0.000 1.095 156 T CB 0.041 68.874 68.868 -0.058 0.000 0.930 156 T HN -0.042 nan 8.240 nan 0.000 0.508 157 S N 0.978 116.617 115.700 -0.101 0.000 2.556 157 S HA 0.364 4.786 4.470 -0.080 0.000 0.216 157 S C 0.668 175.189 174.600 -0.132 0.000 0.970 157 S CA -0.309 57.822 58.200 -0.114 0.000 0.912 157 S CB -0.228 62.870 63.200 -0.170 0.000 0.790 157 S HN 0.387 nan 8.310 nan 0.000 0.504 158 M N 1.186 120.722 119.600 -0.107 0.000 2.249 158 M HA 0.213 4.645 4.480 -0.080 0.000 0.340 158 M C 0.969 177.311 176.300 0.070 0.000 1.166 158 M CA 0.587 55.879 55.300 -0.014 0.000 1.115 158 M CB -0.188 32.406 32.600 -0.010 0.000 1.606 158 M HN 0.153 nan 8.290 nan 0.000 0.448 159 I N 0.402 121.060 120.570 0.146 0.000 3.673 159 I HA -0.056 4.066 4.170 -0.080 0.000 0.281 159 I C 1.861 178.000 176.117 0.037 0.000 1.182 159 I CA 0.198 61.532 61.300 0.057 0.000 1.391 159 I CB 0.034 38.011 38.000 -0.038 0.000 1.383 159 I HN 0.620 nan 8.210 nan 0.000 0.456 160 E N 1.601 121.821 120.200 0.034 0.000 2.031 160 E HA 0.019 4.322 4.350 -0.080 0.000 0.193 160 E C 1.114 177.725 176.600 0.018 0.000 0.994 160 E CA 1.454 57.860 56.400 0.009 0.000 0.800 160 E CB -0.300 29.387 29.700 -0.022 0.000 0.752 160 E HN 0.440 nan 8.360 nan 0.000 0.447 161 G N -0.632 108.181 108.800 0.022 0.000 2.681 161 G HA2 -0.308 3.605 3.960 -0.080 0.000 0.220 161 G HA3 -0.308 3.605 3.960 -0.080 0.000 0.220 161 G C -0.719 174.205 174.900 0.040 0.000 1.353 161 G CA -0.118 45.000 45.100 0.030 0.000 0.872 161 G HN 0.527 nan 8.290 nan 0.000 0.557 162 H N 2.964 122.032 119.070 -0.003 0.000 3.157 162 H HA 0.135 4.643 4.556 -0.080 0.000 0.299 162 H C -0.669 174.663 175.328 0.007 0.000 0.961 162 H CA -0.154 55.916 56.048 0.038 0.000 1.428 162 H CB 1.187 31.050 29.762 0.168 0.000 1.459 162 H HN 0.265 nan 8.280 nan 0.000 0.566 163 P HA -0.042 nan 4.420 nan 0.000 0.229 163 P C 0.867 177.986 177.300 -0.300 0.000 1.160 163 P CA 0.590 63.473 63.100 -0.362 0.000 0.777 163 P CB 0.599 31.801 31.700 -0.829 0.000 0.814 164 S N -0.997 114.852 115.700 0.248 0.000 2.460 164 S HA 0.141 4.564 4.470 -0.080 0.000 0.226 164 S C 0.588 175.213 174.600 0.041 0.000 1.057 164 S CA -0.066 58.252 58.200 0.197 0.000 0.948 164 S CB -0.511 62.835 63.200 0.243 0.000 0.822 164 S HN 0.033 nan 8.310 nan 0.000 0.512 165 F N 1.917 121.910 119.950 0.072 0.000 2.504 165 F HA 0.144 4.624 4.527 -0.078 0.000 0.369 165 F C 1.387 177.201 175.800 0.023 0.000 1.082 165 F CA -0.383 57.622 58.000 0.008 0.000 1.216 165 F CB 0.562 39.509 39.000 -0.088 0.000 1.108 165 F HN -0.158 nan 8.300 nan 0.000 0.554 166 V N 2.996 123.028 119.914 0.197 0.000 2.270 166 V HA -0.182 3.891 4.120 -0.080 0.000 0.245 166 V C 1.548 177.681 176.094 0.065 0.000 1.043 166 V CA 1.704 64.047 62.300 0.072 0.000 1.014 166 V CB -0.652 31.164 31.823 -0.012 0.000 0.645 166 V HN 0.797 nan 8.190 nan 0.000 0.447 167 A N 1.989 124.860 122.820 0.084 0.000 3.078 167 A HA 0.239 4.511 4.320 -0.080 0.000 0.279 167 A C 1.057 178.627 177.584 -0.023 0.000 1.594 167 A CA -0.021 51.968 52.037 -0.081 0.000 1.301 167 A CB -0.767 17.993 19.000 -0.400 0.000 1.162 167 A HN 0.665 nan 8.150 nan 0.000 0.585 168 N N -0.088 118.615 118.700 0.006 0.000 2.322 168 N HA -0.011 4.682 4.740 -0.080 0.000 0.181 168 N C -0.347 175.133 175.510 -0.051 0.000 1.088 168 N CA 0.244 53.288 53.050 -0.010 0.000 0.885 168 N CB 0.130 38.677 38.487 0.100 0.000 1.013 168 N HN 0.319 nan 8.380 nan 0.000 0.472 169 N N 0.033 118.707 118.700 -0.044 0.000 2.599 169 N HA 0.245 4.937 4.740 -0.080 0.000 0.309 169 N C 0.801 176.287 175.510 -0.039 0.000 1.743 169 N CA -0.029 52.998 53.050 -0.039 0.000 0.918 169 N CB 0.829 39.311 38.487 -0.009 0.000 1.339 169 N HN 0.326 nan 8.380 nan 0.000 0.493 170 G N 0.967 109.726 108.800 -0.069 0.000 2.394 170 G HA2 -0.200 3.712 3.960 -0.080 0.000 0.215 170 G HA3 -0.200 3.712 3.960 -0.080 0.000 0.215 170 G C 0.673 175.537 174.900 -0.060 0.000 1.165 170 G CA 0.074 45.140 45.100 -0.057 0.000 0.784 170 G HN 0.337 nan 8.290 nan 0.000 0.535 171 R N -0.896 119.512 120.500 -0.153 0.000 3.387 171 R HA -0.126 4.167 4.340 -0.080 0.000 0.254 171 R C -0.220 175.913 176.300 -0.279 0.000 1.006 171 R CA 0.178 56.089 56.100 -0.315 0.000 0.677 171 R CB -2.408 27.725 30.300 -0.278 0.000 1.063 171 R HN 0.385 nan 8.270 nan 0.000 0.453 172 L N -0.197 120.913 121.223 -0.189 0.000 2.477 172 L HA 0.265 4.557 4.340 -0.080 0.000 0.272 172 L C 1.736 178.531 176.870 -0.126 0.000 1.157 172 L CA 1.084 55.866 54.840 -0.096 0.000 0.889 172 L CB 0.643 42.667 42.059 -0.058 0.000 1.158 172 L HN 0.705 nan 8.230 nan 0.000 0.473 173 G N 2.954 111.757 108.800 0.006 0.000 2.481 173 G HA2 -0.205 3.708 3.960 -0.080 0.000 0.200 173 G HA3 -0.205 3.708 3.960 -0.080 0.000 0.200 173 G C 0.198 175.313 174.900 0.359 0.000 1.012 173 G CA -0.670 44.514 45.100 0.141 0.000 0.676 173 G HN 0.416 nan 8.290 nan 0.000 0.488 174 F N 3.600 123.543 119.950 -0.012 0.000 2.506 174 F HA 0.346 4.825 4.527 -0.080 0.000 0.371 174 F C 1.267 177.185 175.800 0.197 0.000 1.078 174 F CA -0.419 57.641 58.000 0.100 0.000 1.195 174 F CB 0.598 39.621 39.000 0.038 0.000 1.099 174 F HN 0.387 nan 8.300 nan 0.000 0.548 175 D N 3.060 123.718 120.400 0.431 0.000 2.414 175 D HA 0.170 4.763 4.640 -0.080 0.000 0.259 175 D C 1.003 177.424 176.300 0.201 0.000 1.269 175 D CA -0.228 53.923 54.000 0.253 0.000 1.028 175 D CB 0.483 41.404 40.800 0.203 0.000 1.093 175 D HN 0.428 nan 8.370 nan 0.000 0.545 176 A N -0.332 122.563 122.820 0.125 0.000 1.908 176 A HA -0.216 4.057 4.320 -0.080 0.000 0.218 176 A C 1.978 179.694 177.584 0.220 0.000 1.181 176 A CA 1.692 53.803 52.037 0.123 0.000 0.627 176 A CB -0.848 18.201 19.000 0.081 0.000 0.818 176 A HN 0.693 nan 8.150 nan 0.000 0.445 177 E N -0.201 120.100 120.200 0.168 0.000 2.072 177 E HA -0.155 4.147 4.350 -0.080 0.000 0.190 177 E C 1.412 178.040 176.600 0.048 0.000 0.982 177 E CA 0.947 57.428 56.400 0.136 0.000 0.803 177 E CB -0.261 29.475 29.700 0.060 0.000 0.755 177 E HN 0.528 nan 8.360 nan 0.000 0.453 178 D N 0.642 121.077 120.400 0.058 0.000 2.133 178 D HA -0.211 4.381 4.640 -0.080 0.000 0.195 178 D C 1.732 177.840 176.300 -0.319 0.000 0.997 178 D CA 1.058 55.015 54.000 -0.072 0.000 0.840 178 D CB -0.522 40.350 40.800 0.121 0.000 0.947 178 D HN 0.216 nan 8.370 nan 0.000 0.452 179 Y N 1.418 121.580 120.300 -0.230 0.000 2.081 179 Y HA -0.309 4.193 4.550 -0.080 0.000 0.280 179 Y C 2.478 178.144 175.900 -0.390 0.000 1.163 179 Y CA 1.959 59.900 58.100 -0.266 0.000 1.135 179 Y CB -0.254 38.101 38.460 -0.175 0.000 0.970 179 Y HN 0.175 nan 8.280 nan 0.000 0.498 180 H N -1.391 117.582 119.070 -0.162 0.000 2.491 180 H HA -0.007 4.502 4.556 -0.079 0.000 0.290 180 H C 2.214 177.363 175.328 -0.300 0.000 1.050 180 H CA 1.089 56.996 56.048 -0.235 0.000 1.309 180 H CB -0.396 29.340 29.762 -0.043 0.000 1.392 180 H HN 0.562 nan 8.280 nan 0.000 0.554 181 G N -1.417 107.186 108.800 -0.328 0.000 2.545 181 G HA2 -0.072 3.840 3.960 -0.080 0.000 0.212 181 G HA3 -0.072 3.840 3.960 -0.080 0.000 0.212 181 G C 1.000 175.607 174.900 -0.490 0.000 1.144 181 G CA -0.008 44.782 45.100 -0.516 0.000 0.813 181 G HN 0.381 nan 8.290 nan 0.000 0.531 182 Y N 0.009 120.162 120.300 -0.245 0.000 2.423 182 Y HA 0.522 5.024 4.550 -0.080 0.000 0.257 182 Y C 1.691 177.499 175.900 -0.153 0.000 1.087 182 Y CA -0.557 57.437 58.100 -0.178 0.000 1.258 182 Y CB 0.649 38.915 38.460 -0.324 0.000 1.237 182 Y HN 0.187 nan 8.280 nan 0.000 0.517 183 A N 2.186 124.859 122.820 -0.244 0.000 2.477 183 A HA 0.150 4.422 4.320 -0.080 0.000 0.246 183 A C -1.642 175.833 177.584 -0.182 0.000 1.078 183 A CA -1.124 50.769 52.037 -0.240 0.000 0.770 183 A CB -0.000 18.484 19.000 -0.859 0.000 1.011 183 A HN 0.060 nan 8.150 nan 0.000 0.494 184 P HA -0.223 nan 4.420 nan 0.000 0.216 184 P C 1.225 178.487 177.300 -0.063 0.000 1.153 184 P CA 1.727 64.793 63.100 -0.057 0.000 0.858 184 P CB 0.072 31.741 31.700 -0.052 0.000 0.789 185 E N 0.019 120.170 120.200 -0.080 0.000 2.347 185 E HA -0.075 4.227 4.350 -0.080 0.000 0.196 185 E C 1.691 178.324 176.600 0.055 0.000 1.008 185 E CA 1.208 57.610 56.400 0.004 0.000 0.852 185 E CB -0.943 28.803 29.700 0.078 0.000 0.783 185 E HN 0.164 nan 8.360 nan 0.000 0.505 186 A N 1.596 124.339 122.820 -0.129 0.000 2.119 186 A HA 0.383 4.655 4.320 -0.080 0.000 0.216 186 A C 1.760 179.358 177.584 0.024 0.000 1.152 186 A CA 1.092 53.092 52.037 -0.062 0.000 0.708 186 A CB -0.370 18.432 19.000 -0.330 0.000 0.805 186 A HN 0.623 nan 8.150 nan 0.000 0.460 187 A N -0.948 121.874 122.820 0.004 0.000 2.748 187 A HA -0.150 4.122 4.320 -0.080 0.000 0.297 187 A C 0.545 178.154 177.584 0.041 0.000 1.508 187 A CA 1.156 53.210 52.037 0.029 0.000 0.799 187 A CB -2.658 16.360 19.000 0.030 0.000 1.011 187 A HN 0.591 nan 8.150 nan 0.000 0.500 188 T N 1.644 116.218 114.554 0.032 0.000 2.771 188 T HA 0.507 4.810 4.350 -0.080 0.000 0.291 188 T C -2.260 172.484 174.700 0.074 0.000 0.954 188 T CA -0.799 61.319 62.100 0.031 0.000 1.045 188 T CB 1.139 69.997 68.868 -0.017 0.000 0.917 188 T HN 0.304 nan 8.240 nan 0.000 0.484 189 P HA 0.211 nan 4.420 nan 0.000 0.265 189 P C -0.993 176.373 177.300 0.111 0.000 1.193 189 P CA -0.232 62.929 63.100 0.101 0.000 0.765 189 P CB 0.478 32.214 31.700 0.059 0.000 0.823 190 V N 4.881 124.900 119.914 0.175 0.000 2.604 190 V HA 0.426 4.498 4.120 -0.080 0.000 0.305 190 V C 0.299 176.456 176.094 0.105 0.000 1.043 190 V CA -0.708 61.682 62.300 0.150 0.000 0.888 190 V CB 2.030 33.982 31.823 0.214 0.000 0.995 190 V HN 0.435 nan 8.190 nan 0.000 0.429 191 R N 3.616 124.157 120.500 0.069 0.000 2.407 191 R HA 0.658 4.950 4.340 -0.080 0.000 0.303 191 R C -0.822 175.547 176.300 0.113 0.000 0.981 191 R CA -0.655 55.529 56.100 0.139 0.000 0.905 191 R CB 1.362 31.731 30.300 0.115 0.000 1.099 191 R HN 0.559 nan 8.270 nan 0.000 0.459 192 L N 2.466 123.679 121.223 -0.017 0.000 2.452 192 L HA 0.191 4.483 4.340 -0.080 0.000 0.267 192 L C 0.333 177.129 176.870 -0.123 0.000 1.188 192 L CA -0.292 54.380 54.840 -0.280 0.000 0.821 192 L CB 0.401 42.128 42.059 -0.552 0.000 1.102 192 L HN 0.413 nan 8.230 nan 0.000 0.470 193 M N 1.894 121.301 119.600 -0.322 0.000 2.144 193 M HA 0.262 4.695 4.480 -0.080 0.000 0.356 193 M C -1.368 174.635 176.300 -0.494 0.000 1.217 193 M CA 0.068 55.119 55.300 -0.415 0.000 1.087 193 M CB 0.589 32.879 32.600 -0.517 0.000 1.609 193 M HN 0.218 nan 8.290 nan 0.000 0.467 194 W N 6.302 127.441 121.300 -0.267 0.000 2.433 194 W HA 0.642 5.254 4.660 -0.079 0.000 0.315 194 W C -1.465 174.829 176.519 -0.376 0.000 1.087 194 W CA -0.364 56.844 57.345 -0.228 0.000 1.205 194 W CB 1.053 30.387 29.460 -0.209 0.000 1.288 194 W HN 0.444 nan 8.180 nan 0.000 0.504 195 L N 3.151 124.401 121.223 0.046 0.000 2.381 195 L HA 0.736 5.028 4.340 -0.080 0.000 0.268 195 L C 0.101 177.110 176.870 0.232 0.000 0.997 195 L CA -1.130 53.710 54.840 -0.001 0.000 0.818 195 L CB 1.757 43.843 42.059 0.045 0.000 1.310 195 L HN 0.463 nan 8.230 nan 0.000 0.416 196 A N 2.169 125.097 122.820 0.179 0.000 2.320 196 A HA 0.680 4.953 4.320 -0.080 0.000 0.287 196 A C -0.335 177.515 177.584 0.444 0.000 1.181 196 A CA -0.449 51.797 52.037 0.348 0.000 0.831 196 A CB 0.402 19.462 19.000 0.100 0.000 1.102 196 A HN 0.609 nan 8.150 nan 0.000 0.513 197 V N 1.329 121.570 119.914 0.544 0.000 2.540 197 V HA 0.438 4.510 4.120 -0.080 0.000 0.302 197 V C 0.137 176.491 176.094 0.434 0.000 1.035 197 V CA -0.923 61.725 62.300 0.580 0.000 0.873 197 V CB 1.293 33.421 31.823 0.507 0.000 0.992 197 V HN 0.907 nan 8.190 nan 0.000 0.428 198 H N 3.352 122.543 119.070 0.203 0.000 2.848 198 H HA 0.242 4.750 4.556 -0.080 0.000 0.341 198 H C 0.922 176.114 175.328 -0.228 0.000 1.060 198 H CA 0.671 56.515 56.048 -0.339 0.000 1.444 198 H CB 1.469 31.061 29.762 -0.283 0.000 1.446 198 H HN 0.819 nan 8.280 nan 0.000 0.583 199 K N 2.778 122.900 120.400 -0.463 0.000 2.280 199 K HA -0.120 4.152 4.320 -0.080 0.000 0.202 199 K C 1.041 177.651 176.600 0.016 0.000 1.047 199 K CA 1.049 57.188 56.287 -0.248 0.000 0.942 199 K CB 0.312 32.522 32.500 -0.484 0.000 0.739 199 K HN 0.560 nan 8.250 nan 0.000 0.457 200 D N 0.834 121.377 120.400 0.238 0.000 2.178 200 D HA -0.119 4.474 4.640 -0.080 0.000 0.201 200 D C 1.145 177.513 176.300 0.113 0.000 0.980 200 D CA 1.248 55.331 54.000 0.139 0.000 0.842 200 D CB -0.043 40.789 40.800 0.053 0.000 0.948 200 D HN 0.278 nan 8.370 nan 0.000 0.472 201 N N -0.585 118.060 118.700 -0.092 0.000 2.510 201 N HA 0.173 4.865 4.740 -0.080 0.000 0.186 201 N C 0.149 175.361 175.510 -0.496 0.000 1.051 201 N CA 0.275 52.996 53.050 -0.548 0.000 0.877 201 N CB 0.465 38.035 38.487 -1.528 0.000 1.183 201 N HN -0.032 nan 8.380 nan 0.000 0.443 202 A N 0.509 123.213 122.820 -0.193 0.000 2.274 202 A HA 0.280 4.553 4.320 -0.080 0.000 0.309 202 A C -1.030 176.701 177.584 0.245 0.000 1.226 202 A CA -0.292 51.775 52.037 0.051 0.000 0.853 202 A CB 0.110 19.255 19.000 0.242 0.000 1.146 202 A HN 0.332 nan 8.150 nan 0.000 0.518 203 H N 2.872 122.000 119.070 0.096 0.000 2.481 203 H HA 0.483 4.992 4.556 -0.080 0.000 0.333 203 H C -1.897 173.464 175.328 0.054 0.000 1.066 203 H CA -0.426 55.690 56.048 0.114 0.000 1.209 203 H CB 1.048 30.855 29.762 0.074 0.000 1.445 203 H HN 0.611 nan 8.280 nan 0.000 0.488 204 F N 3.729 123.295 119.950 -0.640 0.000 2.421 204 F HA 0.404 4.883 4.527 -0.079 0.000 0.337 204 F C -0.821 174.654 175.800 -0.542 0.000 1.105 204 F CA -0.136 57.494 58.000 -0.617 0.000 1.049 204 F CB 1.178 39.618 39.000 -0.933 0.000 1.139 204 F HN 0.359 nan 8.300 nan 0.000 0.479 205 S N 4.078 119.110 115.700 -1.114 0.000 2.570 205 S HA 0.782 5.204 4.470 -0.080 0.000 0.286 205 S C -1.205 172.812 174.600 -0.972 0.000 1.099 205 S CA -0.641 57.072 58.200 -0.811 0.000 0.913 205 S CB 1.402 64.401 63.200 -0.335 0.000 1.085 205 S HN 0.991 nan 8.310 nan 0.000 0.480 206 C N 0.115 119.091 119.300 -0.540 0.000 3.284 206 C HA 0.649 5.061 4.460 -0.080 0.000 0.348 206 C C -0.917 173.996 174.990 -0.127 0.000 1.448 206 C CA -1.317 57.512 59.018 -0.316 0.000 1.223 206 C CB -0.694 26.894 27.740 -0.254 0.000 1.588 206 C HN 0.860 nan 8.230 nan 0.000 0.451 207 L N 2.408 123.594 121.223 -0.062 0.000 2.499 207 L HA 0.188 4.480 4.340 -0.080 0.000 0.281 207 L C 2.038 178.904 176.870 -0.007 0.000 1.234 207 L CA 0.729 55.555 54.840 -0.023 0.000 0.839 207 L CB 0.616 42.666 42.059 -0.015 0.000 1.104 207 L HN 1.081 nan 8.230 nan 0.000 0.500 208 S N -0.002 115.702 115.700 0.007 0.000 2.419 208 S HA -0.173 4.249 4.470 -0.080 0.000 0.235 208 S C 1.008 175.620 174.600 0.021 0.000 1.019 208 S CA 1.117 59.327 58.200 0.016 0.000 0.982 208 S CB -0.309 62.905 63.200 0.023 0.000 0.789 208 S HN 0.857 nan 8.310 nan 0.000 0.490 209 D N -0.050 120.361 120.400 0.017 0.000 2.342 209 D HA 0.269 4.861 4.640 -0.080 0.000 0.221 209 D C 0.344 176.653 176.300 0.016 0.000 1.101 209 D CA -0.122 53.888 54.000 0.017 0.000 0.837 209 D CB -0.161 40.647 40.800 0.014 0.000 0.938 209 D HN 0.407 nan 8.370 nan 0.000 0.508 210 M N 0.672 120.286 119.600 0.023 0.000 2.724 210 M HA 0.359 4.791 4.480 -0.080 0.000 0.310 210 M C -1.171 175.173 176.300 0.073 0.000 1.217 210 M CA -0.763 54.556 55.300 0.032 0.000 0.894 210 M CB 2.174 34.790 32.600 0.027 0.000 1.719 210 M HN -0.124 nan 8.290 nan 0.000 0.479 211 D N -1.301 119.154 120.400 0.092 0.000 2.610 211 D HA 0.131 4.723 4.640 -0.080 0.000 0.271 211 D C 0.015 176.412 176.300 0.162 0.000 1.174 211 D CA -0.657 53.450 54.000 0.178 0.000 0.949 211 D CB 0.377 41.252 40.800 0.125 0.000 1.430 211 D HN 0.621 nan 8.370 nan 0.000 0.467 212 Y N 0.484 120.777 120.300 -0.011 0.000 2.165 212 Y HA -0.219 4.283 4.550 -0.080 0.000 0.286 212 Y C 1.350 177.090 175.900 -0.267 0.000 1.155 212 Y CA 2.218 60.026 58.100 -0.486 0.000 1.164 212 Y CB -0.096 37.883 38.460 -0.802 0.000 0.978 212 Y HN 0.305 nan 8.280 nan 0.000 0.513 213 D N -0.473 119.847 120.400 -0.133 0.000 2.117 213 D HA -0.185 4.407 4.640 -0.080 0.000 0.197 213 D C 2.488 178.669 176.300 -0.200 0.000 0.987 213 D CA 1.850 55.749 54.000 -0.169 0.000 0.829 213 D CB -0.502 40.286 40.800 -0.021 0.000 0.961 213 D HN 0.531 nan 8.370 nan 0.000 0.460 214 S N 0.295 115.916 115.700 -0.132 0.000 2.387 214 S HA -0.113 4.309 4.470 -0.080 0.000 0.226 214 S C 2.063 176.562 174.600 -0.168 0.000 1.026 214 S CA 0.430 58.560 58.200 -0.116 0.000 0.972 214 S CB -0.552 62.612 63.200 -0.060 0.000 0.814 214 S HN 0.185 nan 8.310 nan 0.000 0.477 215 L N 1.161 122.252 121.223 -0.219 0.000 1.989 215 L HA 0.012 4.304 4.340 -0.080 0.000 0.211 215 L C 2.521 179.171 176.870 -0.366 0.000 1.071 215 L CA 1.933 56.592 54.840 -0.301 0.000 0.749 215 L CB -0.681 41.160 42.059 -0.363 0.000 0.890 215 L HN 0.221 nan 8.230 nan 0.000 0.431 216 M N -1.222 118.091 119.600 -0.478 0.000 2.175 216 M HA -0.148 4.284 4.480 -0.080 0.000 0.264 216 M C 2.593 178.735 176.300 -0.263 0.000 1.063 216 M CA 1.716 56.768 55.300 -0.413 0.000 1.119 216 M CB -1.542 30.728 32.600 -0.550 0.000 1.377 216 M HN 0.483 nan 8.290 nan 0.000 0.415 217 S N 0.264 115.828 115.700 -0.226 0.000 2.370 217 S HA -0.169 4.253 4.470 -0.080 0.000 0.226 217 S C 1.810 176.330 174.600 -0.134 0.000 1.033 217 S CA 1.489 59.594 58.200 -0.159 0.000 1.011 217 S CB -0.010 63.114 63.200 -0.126 0.000 0.852 217 S HN 0.523 nan 8.310 nan 0.000 0.457 218 E N -0.179 119.943 120.200 -0.130 0.000 2.072 218 E HA -0.072 4.231 4.350 -0.080 0.000 0.190 218 E C 2.288 178.843 176.600 -0.075 0.000 0.982 218 E CA 0.986 57.329 56.400 -0.095 0.000 0.803 218 E CB 0.007 29.656 29.700 -0.085 0.000 0.755 218 E HN 0.465 nan 8.360 nan 0.000 0.453 219 E N 0.234 120.383 120.200 -0.085 0.000 2.075 219 E HA -0.002 4.300 4.350 -0.080 0.000 0.190 219 E C 2.171 178.775 176.600 0.007 0.000 0.969 219 E CA 0.595 57.004 56.400 0.016 0.000 0.815 219 E CB 0.124 29.869 29.700 0.074 0.000 0.776 219 E HN 0.223 nan 8.360 nan 0.000 0.457 220 L N -0.598 120.556 121.223 -0.116 0.000 2.316 220 L HA 0.206 4.498 4.340 -0.080 0.000 0.207 220 L C 0.850 177.581 176.870 -0.231 0.000 1.070 220 L CA 0.508 55.208 54.840 -0.234 0.000 0.820 220 L CB 0.253 42.044 42.059 -0.448 0.000 0.992 220 L HN 0.180 nan 8.230 nan 0.000 0.466 221 G N 0.286 108.967 108.800 -0.197 0.000 2.692 221 G HA2 -0.232 3.680 3.960 -0.080 0.000 0.686 221 G HA3 -0.232 3.680 3.960 -0.080 0.000 0.686 221 G C 0.255 175.037 174.900 -0.196 0.000 1.243 221 G CA 0.038 45.034 45.100 -0.173 0.000 0.782 221 G HN 0.243 nan 8.290 nan 0.000 0.625 222 E N 0.267 120.377 120.200 -0.151 0.000 2.085 222 E HA -0.181 4.121 4.350 -0.080 0.000 0.194 222 E C 2.601 179.104 176.600 -0.162 0.000 0.994 222 E CA 2.024 58.343 56.400 -0.134 0.000 0.801 222 E CB -0.151 29.492 29.700 -0.095 0.000 0.743 222 E HN 0.731 nan 8.360 nan 0.000 0.453 223 S N -0.064 115.534 115.700 -0.170 0.000 2.359 223 S HA -0.222 4.200 4.470 -0.080 0.000 0.223 223 S C 2.085 176.513 174.600 -0.286 0.000 1.039 223 S CA 1.773 59.861 58.200 -0.186 0.000 1.042 223 S CB -0.402 62.702 63.200 -0.160 0.000 0.915 223 S HN 0.438 nan 8.310 nan 0.000 0.439 224 A N 0.711 123.294 122.820 -0.395 0.000 1.898 224 A HA 0.036 4.308 4.320 -0.080 0.000 0.216 224 A C 2.404 179.455 177.584 -0.889 0.000 1.181 224 A CA 1.701 53.320 52.037 -0.697 0.000 0.620 224 A CB -1.117 17.422 19.000 -0.768 0.000 0.819 224 A HN 0.472 nan 8.150 nan 0.000 0.442 225 V N -0.200 119.375 119.914 -0.564 0.000 2.255 225 V HA -0.285 3.787 4.120 -0.080 0.000 0.247 225 V C 2.764 178.758 176.094 -0.168 0.000 1.051 225 V CA 2.630 64.737 62.300 -0.321 0.000 1.018 225 V CB -1.357 30.402 31.823 -0.106 0.000 0.641 225 V HN 0.613 nan 8.190 nan 0.000 0.445 226 T N -0.374 114.094 114.554 -0.144 0.000 2.635 226 T HA -0.255 4.047 4.350 -0.080 0.000 0.267 226 T C 1.685 176.337 174.700 -0.080 0.000 1.040 226 T CA 1.950 64.006 62.100 -0.072 0.000 1.156 226 T CB -0.476 68.344 68.868 -0.081 0.000 0.863 226 T HN 0.496 nan 8.240 nan 0.000 0.430 227 D N 0.288 120.580 120.400 -0.180 0.000 2.104 227 D HA -0.037 4.555 4.640 -0.080 0.000 0.194 227 D C 1.943 178.226 176.300 -0.028 0.000 0.994 227 D CA 0.988 54.906 54.000 -0.136 0.000 0.830 227 D CB -0.483 40.185 40.800 -0.220 0.000 0.959 227 D HN 0.456 nan 8.370 nan 0.000 0.452 228 F N 1.164 120.931 119.950 -0.304 0.000 2.102 228 F HA -0.209 4.270 4.527 -0.080 0.000 0.298 228 F C 2.592 178.285 175.800 -0.178 0.000 1.105 228 F CA 0.578 58.302 58.000 -0.460 0.000 1.239 228 F CB -0.063 38.209 39.000 -1.213 0.000 0.991 228 F HN -0.040 nan 8.300 nan 0.000 0.474 229 A N 0.209 123.163 122.820 0.225 0.000 1.902 229 A HA -0.126 4.146 4.320 -0.080 0.000 0.217 229 A C 2.301 179.981 177.584 0.160 0.000 1.181 229 A CA 1.600 53.834 52.037 0.328 0.000 0.623 229 A CB -1.105 18.084 19.000 0.315 0.000 0.818 229 A HN 0.339 nan 8.150 nan 0.000 0.443 230 A N -0.215 122.662 122.820 0.095 0.000 1.972 230 A HA -0.151 4.121 4.320 -0.080 0.000 0.219 230 A C 2.216 179.829 177.584 0.049 0.000 1.169 230 A CA 1.501 53.572 52.037 0.058 0.000 0.635 230 A CB -0.425 18.592 19.000 0.028 0.000 0.810 230 A HN 0.564 nan 8.150 nan 0.000 0.446 231 R N -0.515 120.014 120.500 0.049 0.000 2.092 231 R HA 0.023 4.315 4.340 -0.080 0.000 0.231 231 R C 1.980 178.285 176.300 0.009 0.000 1.119 231 R CA 1.199 57.315 56.100 0.026 0.000 0.970 231 R CB -0.453 29.861 30.300 0.024 0.000 0.864 231 R HN 0.497 nan 8.270 nan 0.000 0.440 232 L N 0.375 121.610 121.223 0.021 0.000 1.994 232 L HA -0.190 4.102 4.340 -0.080 0.000 0.208 232 L C 2.570 179.446 176.870 0.010 0.000 1.071 232 L CA 1.539 56.367 54.840 -0.020 0.000 0.745 232 L CB -0.476 41.572 42.059 -0.019 0.000 0.892 232 L HN 0.182 nan 8.230 nan 0.000 0.431 233 R N -0.321 120.210 120.500 0.052 0.000 2.091 233 R HA -0.193 4.099 4.340 -0.080 0.000 0.238 233 R C 2.225 178.548 176.300 0.039 0.000 1.136 233 R CA 1.244 57.381 56.100 0.062 0.000 0.959 233 R CB -0.485 29.862 30.300 0.077 0.000 0.856 233 R HN 0.352 nan 8.270 nan 0.000 0.437 234 E N 1.823 122.041 120.200 0.030 0.000 2.118 234 E HA -0.232 4.070 4.350 -0.080 0.000 0.195 234 E C 1.517 178.126 176.600 0.015 0.000 0.992 234 E CA 1.634 58.047 56.400 0.022 0.000 0.804 234 E CB 0.093 29.804 29.700 0.018 0.000 0.741 234 E HN 0.588 nan 8.360 nan 0.000 0.458 235 Q N -1.146 118.659 119.800 0.007 0.000 2.280 235 Q HA 0.213 4.505 4.340 -0.080 0.000 0.202 235 Q C 0.757 176.758 176.000 0.002 0.000 0.903 235 Q CA 0.576 56.381 55.803 0.004 0.000 0.948 235 Q CB 0.180 28.916 28.738 -0.004 0.000 1.058 235 Q HN 0.208 nan 8.270 nan 0.000 0.493 236 G N 1.030 109.831 108.800 0.002 0.000 2.171 236 G HA2 -0.226 3.686 3.960 -0.080 0.000 0.238 236 G HA3 -0.226 3.686 3.960 -0.080 0.000 0.238 236 G C -0.369 174.497 174.900 -0.057 0.000 1.039 236 G CA 0.132 45.224 45.100 -0.012 0.000 0.759 236 G HN 0.333 nan 8.290 nan 0.000 0.501 237 L N -0.772 120.427 121.223 -0.040 0.000 2.322 237 L HA 0.601 4.893 4.340 -0.080 0.000 0.269 237 L C 0.377 177.256 176.870 0.015 0.000 1.012 237 L CA -1.336 53.478 54.840 -0.042 0.000 0.815 237 L CB 1.521 43.579 42.059 -0.002 0.000 1.295 237 L HN 0.244 nan 8.230 nan 0.000 0.438 238 H N 1.406 120.582 119.070 0.178 0.000 2.594 238 H HA 0.140 4.648 4.556 -0.080 0.000 0.304 238 H C -1.717 173.714 175.328 0.172 0.000 1.068 238 H CA -1.801 54.324 56.048 0.129 0.000 1.308 238 H CB 1.129 30.939 29.762 0.080 0.000 1.409 238 H HN 0.338 nan 8.280 nan 0.000 0.460 239 P HA -0.244 nan 4.420 nan 0.000 0.217 239 P C 1.335 178.670 177.300 0.057 0.000 1.148 239 P CA 1.393 64.591 63.100 0.164 0.000 0.828 239 P CB 0.227 32.013 31.700 0.144 0.000 0.783 240 A N -0.420 122.413 122.820 0.022 0.000 2.070 240 A HA -0.170 4.103 4.320 -0.080 0.000 0.220 240 A C 1.698 179.146 177.584 -0.226 0.000 1.159 240 A CA 1.600 53.572 52.037 -0.108 0.000 0.656 240 A CB -1.047 17.898 19.000 -0.092 0.000 0.800 240 A HN 0.091 nan 8.150 nan 0.000 0.453 241 D N -1.968 118.320 120.400 -0.185 0.000 2.349 241 D HA 0.146 4.738 4.640 -0.080 0.000 0.224 241 D C -0.656 175.045 176.300 -0.997 0.000 1.029 241 D CA 0.650 54.308 54.000 -0.570 0.000 0.879 241 D CB 0.027 40.499 40.800 -0.547 0.000 0.906 241 D HN 0.523 nan 8.370 nan 0.000 0.528 242 Y N -0.987 119.013 120.300 -0.501 0.000 2.512 242 Y HA 0.358 4.860 4.550 -0.080 0.000 0.348 242 Y C -0.344 175.163 175.900 -0.655 0.000 0.990 242 Y CA -1.175 56.654 58.100 -0.453 0.000 1.033 242 Y CB 1.171 39.500 38.460 -0.218 0.000 1.259 242 Y HN -0.256 nan 8.280 nan 0.000 0.461 243 Y N 0.840 120.996 120.300 -0.240 0.000 2.488 243 Y HA 0.558 5.061 4.550 -0.079 0.000 0.325 243 Y C -0.834 174.987 175.900 -0.131 0.000 1.204 243 Y CA -1.482 56.381 58.100 -0.395 0.000 1.229 243 Y CB 0.836 39.117 38.460 -0.299 0.000 1.274 243 Y HN 0.309 nan 8.280 nan 0.000 0.493 244 F N 2.234 122.532 119.950 0.580 0.000 2.420 244 F HA 0.581 5.060 4.527 -0.080 0.000 0.342 244 F C 0.028 176.262 175.800 0.722 0.000 1.113 244 F CA -1.194 57.139 58.000 0.556 0.000 1.059 244 F CB 1.320 40.617 39.000 0.495 0.000 1.128 244 F HN 0.216 nan 8.300 nan 0.000 0.475 245 M N 6.547 126.637 119.600 0.816 0.000 2.386 245 M HA 0.554 4.986 4.480 -0.080 0.000 0.293 245 M C -3.037 173.317 176.300 0.089 0.000 1.120 245 M CA -1.851 53.754 55.300 0.507 0.000 0.909 245 M CB 2.985 35.759 32.600 0.289 0.000 1.661 245 M HN 0.223 nan 8.290 nan 0.000 0.452 246 P HA 0.618 nan 4.420 nan 0.000 0.284 246 P C -1.798 175.281 177.300 -0.368 0.000 1.258 246 P CA -0.399 62.162 63.100 -0.898 0.000 0.824 246 P CB 1.651 32.596 31.700 -1.259 0.000 1.038 247 A N 1.087 123.684 122.820 -0.372 0.000 2.539 247 A HA 0.460 4.732 4.320 -0.080 0.000 0.296 247 A C -0.731 176.738 177.584 -0.193 0.000 1.073 247 A CA -0.635 51.300 52.037 -0.171 0.000 0.700 247 A CB 0.751 19.658 19.000 -0.154 0.000 1.296 247 A HN 0.682 nan 8.150 nan 0.000 0.405 248 H N 2.021 121.015 119.070 -0.126 0.000 3.004 248 H HA 0.117 4.625 4.556 -0.080 0.000 0.316 248 H C -1.691 173.617 175.328 -0.033 0.000 1.014 248 H CA -0.959 55.050 56.048 -0.066 0.000 1.454 248 H CB 1.253 31.075 29.762 0.099 0.000 1.472 248 H HN 0.261 nan 8.280 nan 0.000 0.571 249 P HA -0.173 nan 4.420 nan 0.000 0.216 249 P C 1.609 179.204 177.300 0.491 0.000 1.150 249 P CA 1.225 64.500 63.100 0.292 0.000 0.837 249 P CB -0.189 31.816 31.700 0.508 0.000 0.786 250 W N 0.924 122.392 121.300 0.281 0.000 2.321 250 W HA -0.251 4.362 4.660 -0.079 0.000 0.306 250 W C 2.561 179.144 176.519 0.108 0.000 1.217 250 W CA 1.830 59.278 57.345 0.171 0.000 1.257 250 W CB -0.698 28.693 29.460 -0.115 0.000 1.145 250 W HN -0.083 nan 8.180 nan 0.000 0.509 251 Q N -0.056 119.980 119.800 0.394 0.000 2.084 251 Q HA -0.250 4.042 4.340 -0.080 0.000 0.202 251 Q C 2.200 178.123 176.000 -0.128 0.000 0.978 251 Q CA 2.370 58.264 55.803 0.152 0.000 0.844 251 Q CB -1.186 27.621 28.738 0.114 0.000 0.898 251 Q HN 0.611 nan 8.270 nan 0.000 0.426 252 W N -0.219 120.894 121.300 -0.311 0.000 2.333 252 W HA -0.253 4.359 4.660 -0.080 0.000 0.316 252 W C 1.169 177.393 176.519 -0.492 0.000 1.215 252 W CA 1.410 58.447 57.345 -0.514 0.000 1.278 252 W CB -0.494 28.566 29.460 -0.666 0.000 1.154 252 W HN 0.237 nan 8.180 nan 0.000 0.486 253 F N 1.151 120.853 119.950 -0.413 0.000 2.186 253 F HA -0.165 4.314 4.527 -0.080 0.000 0.299 253 F C 2.392 177.842 175.800 -0.583 0.000 1.090 253 F CA 1.613 59.296 58.000 -0.529 0.000 1.307 253 F CB -0.753 38.101 39.000 -0.244 0.000 1.019 253 F HN -0.079 nan 8.300 nan 0.000 0.489 254 N N -0.726 117.646 118.700 -0.546 0.000 2.415 254 N HA -0.011 4.681 4.740 -0.080 0.000 0.174 254 N C 1.463 176.692 175.510 -0.469 0.000 1.048 254 N CA 0.662 53.296 53.050 -0.692 0.000 0.895 254 N CB 0.299 37.846 38.487 -1.567 0.000 1.036 254 N HN 0.207 nan 8.380 nan 0.000 0.449 255 K N 0.589 120.742 120.400 -0.411 0.000 2.418 255 K HA 0.285 4.557 4.320 -0.080 0.000 0.208 255 K C 2.131 178.581 176.600 -0.251 0.000 1.261 255 K CA 0.046 56.200 56.287 -0.223 0.000 0.874 255 K CB -0.319 32.113 32.500 -0.114 0.000 1.451 255 K HN -0.025 nan 8.250 nan 0.000 0.466 256 L N 2.273 123.222 121.223 -0.456 0.000 2.027 256 L HA -0.133 4.160 4.340 -0.080 0.000 0.206 256 L C 2.508 179.099 176.870 -0.465 0.000 1.074 256 L CA 1.824 56.326 54.840 -0.564 0.000 0.745 256 L CB -0.870 40.778 42.059 -0.684 0.000 0.898 256 L HN 0.172 nan 8.230 nan 0.000 0.433 257 S N 0.020 115.162 115.700 -0.930 0.000 2.400 257 S HA -0.127 4.295 4.470 -0.080 0.000 0.232 257 S C 1.780 176.135 174.600 -0.409 0.000 1.025 257 S CA 1.105 58.707 58.200 -0.997 0.000 0.993 257 S CB -0.461 61.878 63.200 -1.435 0.000 0.808 257 S HN 0.374 nan 8.310 nan 0.000 0.478 258 L N 0.532 121.583 121.223 -0.287 0.000 2.379 258 L HA 0.398 4.690 4.340 -0.080 0.000 0.190 258 L C 3.051 179.909 176.870 -0.020 0.000 1.111 258 L CA 0.682 55.440 54.840 -0.138 0.000 0.820 258 L CB -0.894 41.085 42.059 -0.133 0.000 1.046 258 L HN 0.341 nan 8.230 nan 0.000 0.485 259 A N -0.222 122.645 122.820 0.079 0.000 2.015 259 A HA -0.111 4.161 4.320 -0.080 0.000 0.219 259 A C 1.560 179.290 177.584 0.243 0.000 1.163 259 A CA 1.391 53.556 52.037 0.213 0.000 0.646 259 A CB -0.520 18.716 19.000 0.392 0.000 0.806 259 A HN 0.364 nan 8.150 nan 0.000 0.448 260 F N -0.447 119.505 119.950 0.003 0.000 2.660 260 F HA 0.419 4.898 4.527 -0.080 0.000 0.297 260 F C 2.076 177.898 175.800 0.038 0.000 1.132 260 F CA -0.586 57.469 58.000 0.091 0.000 1.372 260 F CB -0.662 38.426 39.000 0.147 0.000 1.003 260 F HN 0.239 nan 8.300 nan 0.000 0.524 261 A N 1.503 124.368 122.820 0.074 0.000 1.927 261 A HA -0.200 4.073 4.320 -0.080 0.000 0.220 261 A C 0.023 177.608 177.584 0.002 0.000 1.185 261 A CA 1.913 53.956 52.037 0.011 0.000 0.639 261 A CB -1.891 17.077 19.000 -0.053 0.000 0.820 261 A HN 0.218 nan 8.150 nan 0.000 0.451 262 P HA -0.175 nan 4.420 nan 0.000 0.216 262 P C 0.956 178.260 177.300 0.007 0.000 1.150 262 P CA 1.331 64.339 63.100 -0.153 0.000 0.837 262 P CB -0.317 31.136 31.700 -0.412 0.000 0.786 263 Y N -0.099 120.347 120.300 0.243 0.000 2.242 263 Y HA -0.120 4.383 4.550 -0.080 0.000 0.291 263 Y C 2.646 178.714 175.900 0.279 0.000 1.137 263 Y CA 0.505 58.801 58.100 0.327 0.000 1.181 263 Y CB -1.753 37.002 38.460 0.491 0.000 0.989 263 Y HN -0.249 nan 8.280 nan 0.000 0.527 264 V N -0.194 119.942 119.914 0.371 0.000 2.295 264 V HA -0.315 3.757 4.120 -0.080 0.000 0.246 264 V C 2.553 178.773 176.094 0.209 0.000 1.049 264 V CA 1.758 64.228 62.300 0.282 0.000 1.024 264 V CB -1.434 30.528 31.823 0.232 0.000 0.648 264 V HN 0.429 nan 8.190 nan 0.000 0.447 265 A N -0.601 122.311 122.820 0.153 0.000 1.902 265 A HA -0.276 3.996 4.320 -0.080 0.000 0.217 265 A C 2.098 179.758 177.584 0.127 0.000 1.181 265 A CA 1.838 53.940 52.037 0.108 0.000 0.623 265 A CB -0.485 18.549 19.000 0.057 0.000 0.818 265 A HN 0.647 nan 8.150 nan 0.000 0.443 266 Q N -1.356 118.543 119.800 0.165 0.000 2.482 266 Q HA 0.090 4.382 4.340 -0.080 0.000 0.209 266 Q C -0.145 175.984 176.000 0.215 0.000 0.961 266 Q CA 0.142 56.049 55.803 0.173 0.000 0.945 266 Q CB 0.099 28.954 28.738 0.195 0.000 1.012 266 Q HN 0.577 nan 8.270 nan 0.000 0.515 267 R N -0.373 120.275 120.500 0.246 0.000 3.770 267 R HA -0.182 4.111 4.340 -0.080 0.000 0.305 267 R C 0.335 176.901 176.300 0.444 0.000 1.184 267 R CA 0.449 56.720 56.100 0.286 0.000 0.823 267 R CB -1.170 29.261 30.300 0.218 0.000 1.285 267 R HN 0.113 nan 8.270 nan 0.000 0.499 268 K N 0.481 121.158 120.400 0.462 0.000 2.305 268 K HA 0.184 4.457 4.320 -0.080 0.000 0.199 268 K C 0.986 177.971 176.600 0.642 0.000 1.047 268 K CA 0.891 57.501 56.287 0.539 0.000 0.976 268 K CB 0.389 33.184 32.500 0.491 0.000 0.765 268 K HN 0.366 nan 8.250 nan 0.000 0.474 269 I N 1.063 121.946 120.570 0.521 0.000 2.466 269 I HA 0.184 4.307 4.170 -0.080 0.000 0.289 269 I C -0.974 175.303 176.117 0.268 0.000 1.026 269 I CA -0.941 60.603 61.300 0.406 0.000 1.078 269 I CB 2.431 40.634 38.000 0.339 0.000 1.249 269 I HN -0.404 nan 8.210 nan 0.000 0.429 270 V N 5.285 125.287 119.914 0.148 0.000 2.483 270 V HA 0.204 4.277 4.120 -0.080 0.000 0.297 270 V C -0.239 175.759 176.094 -0.159 0.000 1.027 270 V CA -0.743 61.557 62.300 0.001 0.000 0.855 270 V CB 1.882 33.663 31.823 -0.069 0.000 0.995 270 V HN 0.886 nan 8.190 nan 0.000 0.424 271 C N 6.399 125.524 119.300 -0.291 0.000 2.555 271 C HA 0.395 4.807 4.460 -0.080 0.000 0.385 271 C C 1.463 176.199 174.990 -0.422 0.000 1.296 271 C CA -0.112 58.547 59.018 -0.599 0.000 1.757 271 C CB -1.223 25.943 27.740 -0.956 0.000 2.445 271 C HN 0.924 nan 8.230 nan 0.000 0.571 272 L N 5.870 126.822 121.223 -0.451 0.000 2.607 272 L HA 0.348 4.640 4.340 -0.080 0.000 0.228 272 L C 1.455 178.150 176.870 -0.292 0.000 1.123 272 L CA 0.800 55.382 54.840 -0.429 0.000 0.890 272 L CB -0.828 40.724 42.059 -0.846 0.000 1.103 272 L HN 1.103 nan 8.230 nan 0.000 0.468 273 G N -1.017 107.583 108.800 -0.334 0.000 2.631 273 G HA2 -0.238 3.674 3.960 -0.080 0.000 0.504 273 G HA3 -0.238 3.674 3.960 -0.080 0.000 0.504 273 G C -0.831 174.000 174.900 -0.116 0.000 1.306 273 G CA -0.885 44.074 45.100 -0.234 0.000 0.897 273 G HN -0.062 nan 8.290 nan 0.000 0.520 274 Y N 1.041 121.385 120.300 0.072 0.000 2.411 274 Y HA 0.415 4.918 4.550 -0.080 0.000 0.333 274 Y C 1.715 177.778 175.900 0.271 0.000 1.186 274 Y CA 0.778 58.964 58.100 0.143 0.000 1.381 274 Y CB 0.831 39.363 38.460 0.120 0.000 1.273 274 Y HN 0.892 nan 8.280 nan 0.000 0.546 275 G N 1.797 110.956 108.800 0.599 0.000 2.667 275 G HA2 0.014 3.926 3.960 -0.080 0.000 0.250 275 G HA3 0.014 3.926 3.960 -0.080 0.000 0.250 275 G C 0.495 175.580 174.900 0.307 0.000 1.212 275 G CA -0.474 44.946 45.100 0.533 0.000 0.874 275 G HN 0.776 nan 8.290 nan 0.000 0.561 276 E N 0.040 120.347 120.200 0.178 0.000 2.170 276 E HA -0.018 4.284 4.350 -0.080 0.000 0.191 276 E C 0.613 177.261 176.600 0.081 0.000 0.981 276 E CA 0.490 56.945 56.400 0.092 0.000 0.830 276 E CB 0.283 29.992 29.700 0.014 0.000 0.775 276 E HN 0.620 nan 8.360 nan 0.000 0.470 277 E N 1.711 121.979 120.200 0.113 0.000 2.343 277 E HA 0.167 4.470 4.350 -0.080 0.000 0.269 277 E C -0.027 176.598 176.600 0.043 0.000 1.047 277 E CA 0.010 56.424 56.400 0.024 0.000 0.874 277 E CB 0.868 30.545 29.700 -0.037 0.000 1.033 277 E HN 0.069 nan 8.360 nan 0.000 0.409 278 Q N 1.411 121.156 119.800 -0.091 0.000 2.266 278 Q HA 0.415 4.707 4.340 -0.080 0.000 0.261 278 Q C -1.209 174.688 176.000 -0.171 0.000 0.985 278 Q CA -0.539 55.254 55.803 -0.017 0.000 0.873 278 Q CB 1.344 30.081 28.738 -0.001 0.000 1.306 278 Q HN 0.442 nan 8.270 nan 0.000 0.447 279 Y N 0.151 120.494 120.300 0.071 0.000 2.576 279 Y HA 0.513 5.016 4.550 -0.080 0.000 0.346 279 Y C -0.566 175.487 175.900 0.256 0.000 1.018 279 Y CA -0.889 57.309 58.100 0.163 0.000 1.050 279 Y CB 1.529 40.086 38.460 0.161 0.000 1.280 279 Y HN 0.382 nan 8.280 nan 0.000 0.474 280 L N 2.034 123.550 121.223 0.488 0.000 2.322 280 L HA 0.729 5.021 4.340 -0.080 0.000 0.281 280 L C -0.129 176.964 176.870 0.373 0.000 1.014 280 L CA -1.224 53.836 54.840 0.368 0.000 0.815 280 L CB 1.659 43.853 42.059 0.224 0.000 1.247 280 L HN 0.782 nan 8.230 nan 0.000 0.421 281 A N 3.490 126.439 122.820 0.215 0.000 2.488 281 A HA 0.297 4.569 4.320 -0.080 0.000 0.249 281 A C 0.053 177.580 177.584 -0.095 0.000 1.083 281 A CA -0.324 51.611 52.037 -0.169 0.000 0.768 281 A CB 0.186 19.116 19.000 -0.117 0.000 1.017 281 A HN 0.672 nan 8.150 nan 0.000 0.496 282 Q N 0.849 120.560 119.800 -0.147 0.000 2.308 282 Q HA 0.146 4.439 4.340 -0.080 0.000 0.207 282 Q C 0.854 176.798 176.000 -0.094 0.000 1.035 282 Q CA -0.637 55.120 55.803 -0.075 0.000 1.008 282 Q CB 0.212 28.940 28.738 -0.017 0.000 1.168 282 Q HN 0.785 nan 8.270 nan 0.000 0.565 283 Q N 0.377 120.136 119.800 -0.068 0.000 2.297 283 Q HA -0.095 4.197 4.340 -0.080 0.000 0.208 283 Q C 1.638 177.600 176.000 -0.064 0.000 0.981 283 Q CA 1.475 57.245 55.803 -0.056 0.000 0.876 283 Q CB -0.175 28.542 28.738 -0.036 0.000 0.921 283 Q HN 0.715 nan 8.270 nan 0.000 0.446 284 S N -0.882 114.773 115.700 -0.076 0.000 2.607 284 S HA 0.035 4.457 4.470 -0.080 0.000 0.224 284 S C 1.386 175.909 174.600 -0.127 0.000 0.969 284 S CA 0.565 58.713 58.200 -0.086 0.000 0.927 284 S CB -0.199 62.956 63.200 -0.074 0.000 0.772 284 S HN 0.422 nan 8.310 nan 0.000 0.533 285 I N -0.225 120.256 120.570 -0.147 0.000 4.327 285 I HA -0.430 3.693 4.170 -0.080 0.000 0.074 285 I C 1.640 177.618 176.117 -0.231 0.000 0.569 285 I CA 2.058 63.272 61.300 -0.143 0.000 1.123 285 I CB -1.167 36.762 38.000 -0.119 0.000 1.000 285 I HN 0.541 nan 8.210 nan 0.000 0.171 286 R N 1.031 121.408 120.500 -0.204 0.000 2.317 286 R HA 0.318 4.611 4.340 -0.080 0.000 0.208 286 R C 0.036 176.214 176.300 -0.203 0.000 0.914 286 R CA 0.587 56.617 56.100 -0.117 0.000 1.060 286 R CB 0.132 30.395 30.300 -0.061 0.000 1.015 286 R HN 0.263 nan 8.270 nan 0.000 0.498 287 T N 0.850 115.194 114.554 -0.351 0.000 2.855 287 T HA 0.507 4.809 4.350 -0.080 0.000 0.281 287 T C -1.252 173.247 174.700 -0.334 0.000 1.007 287 T CA -0.306 61.674 62.100 -0.200 0.000 1.009 287 T CB 1.170 69.980 68.868 -0.096 0.000 0.983 287 T HN 0.016 nan 8.240 nan 0.000 0.455 288 F N 1.922 121.970 119.950 0.164 0.000 2.529 288 F HA 0.562 5.042 4.527 -0.079 0.000 0.320 288 F C -0.499 175.606 175.800 0.509 0.000 1.118 288 F CA -1.235 56.914 58.000 0.247 0.000 0.915 288 F CB 1.428 40.407 39.000 -0.035 0.000 1.161 288 F HN 0.513 nan 8.300 nan 0.000 0.445 289 F N 4.039 124.310 119.950 0.535 0.000 2.420 289 F HA 0.389 4.869 4.527 -0.079 0.000 0.342 289 F C 0.248 176.219 175.800 0.285 0.000 1.113 289 F CA -0.648 57.546 58.000 0.323 0.000 1.059 289 F CB 0.621 39.712 39.000 0.151 0.000 1.128 289 F HN 0.388 nan 8.300 nan 0.000 0.475 290 N N 6.638 125.036 118.700 -0.502 0.000 2.431 290 N HA 0.054 4.746 4.740 -0.080 0.000 0.265 290 N C 0.456 175.611 175.510 -0.592 0.000 1.184 290 N CA 0.117 52.701 53.050 -0.776 0.000 0.943 290 N CB 0.524 38.594 38.487 -0.695 0.000 1.080 290 N HN 0.811 nan 8.380 nan 0.000 0.477 291 I N 0.350 120.741 120.570 -0.299 0.000 3.941 291 I HA 0.243 4.365 4.170 -0.080 0.000 0.335 291 I C 0.842 176.894 176.117 -0.107 0.000 1.402 291 I CA -0.305 60.952 61.300 -0.073 0.000 1.112 291 I CB 0.415 38.460 38.000 0.076 0.000 1.043 291 I HN 0.138 nan 8.210 nan 0.000 0.395 292 S N 0.640 116.218 115.700 -0.203 0.000 2.468 292 S HA 0.327 4.750 4.470 -0.080 0.000 0.226 292 S C 0.793 175.320 174.600 -0.122 0.000 1.051 292 S CA 0.240 58.354 58.200 -0.143 0.000 0.943 292 S CB 0.226 63.331 63.200 -0.160 0.000 0.810 292 S HN 0.423 nan 8.310 nan 0.000 0.509 293 R N 0.835 121.237 120.500 -0.164 0.000 2.771 293 R HA 0.443 4.735 4.340 -0.080 0.000 0.274 293 R C -2.991 173.226 176.300 -0.139 0.000 0.987 293 R CA -1.938 54.088 56.100 -0.125 0.000 0.908 293 R CB 1.566 31.798 30.300 -0.114 0.000 1.213 293 R HN 0.111 nan 8.270 nan 0.000 0.468 294 P HA 0.136 nan 4.420 nan 0.000 0.279 294 P C 0.376 177.627 177.300 -0.082 0.000 1.252 294 P CA 0.053 63.112 63.100 -0.069 0.000 0.811 294 P CB 1.088 32.775 31.700 -0.022 0.000 1.035 295 G N 0.263 109.019 108.800 -0.074 0.000 2.184 295 G HA2 -0.210 3.702 3.960 -0.080 0.000 0.264 295 G HA3 -0.210 3.702 3.960 -0.080 0.000 0.264 295 G C 0.276 175.129 174.900 -0.079 0.000 0.975 295 G CA 0.061 45.126 45.100 -0.059 0.000 0.642 295 G HN 0.594 nan 8.290 nan 0.000 0.536 296 K N 0.702 121.020 120.400 -0.136 0.000 2.202 296 K HA 0.372 4.645 4.320 -0.080 0.000 0.264 296 K C 0.966 177.514 176.600 -0.086 0.000 1.010 296 K CA -0.525 55.708 56.287 -0.091 0.000 0.940 296 K CB 0.809 33.243 32.500 -0.110 0.000 0.983 296 K HN 0.345 nan 8.250 nan 0.000 0.475 297 R N 1.256 121.805 120.500 0.082 0.000 2.641 297 R HA 0.087 4.380 4.340 -0.080 0.000 0.269 297 R C -0.151 176.282 176.300 0.223 0.000 1.074 297 R CA -0.174 56.036 56.100 0.184 0.000 1.133 297 R CB 0.140 30.651 30.300 0.352 0.000 1.029 297 R HN 0.413 nan 8.270 nan 0.000 0.488 298 Y N 0.241 120.684 120.300 0.239 0.000 2.578 298 Y HA 0.093 4.595 4.550 -0.080 0.000 0.339 298 Y C 0.542 176.540 175.900 0.163 0.000 1.231 298 Y CA -0.221 58.032 58.100 0.254 0.000 1.461 298 Y CB 0.582 39.184 38.460 0.237 0.000 1.323 298 Y HN 0.147 nan 8.280 nan 0.000 0.590 299 V N 3.592 123.656 119.914 0.249 0.000 2.409 299 V HA 0.299 4.371 4.120 -0.080 0.000 0.291 299 V C -0.319 175.776 176.094 0.000 0.000 1.020 299 V CA -1.330 60.908 62.300 -0.103 0.000 0.848 299 V CB 1.399 33.018 31.823 -0.341 0.000 0.990 299 V HN 0.623 nan 8.190 nan 0.000 0.430 300 K N 3.397 123.734 120.400 -0.105 0.000 2.185 300 K HA 0.718 4.990 4.320 -0.080 0.000 0.269 300 K C -0.165 176.389 176.600 -0.077 0.000 0.987 300 K CA -0.291 55.969 56.287 -0.045 0.000 0.865 300 K CB 1.532 34.000 32.500 -0.053 0.000 1.090 300 K HN 0.884 nan 8.250 nan 0.000 0.450 301 T N -0.383 114.184 114.554 0.020 0.000 2.916 301 T HA 0.360 4.662 4.350 -0.080 0.000 0.292 301 T C -0.336 174.393 174.700 0.048 0.000 1.055 301 T CA -1.002 61.122 62.100 0.039 0.000 1.009 301 T CB 1.381 70.332 68.868 0.139 0.000 1.118 301 T HN 0.508 nan 8.240 nan 0.000 0.497 302 S N 1.744 117.480 115.700 0.060 0.000 2.510 302 S HA 0.512 4.934 4.470 -0.080 0.000 0.279 302 S C -0.446 174.174 174.600 0.033 0.000 1.284 302 S CA -0.852 57.376 58.200 0.047 0.000 1.059 302 S CB 0.177 63.432 63.200 0.092 0.000 0.901 302 S HN 0.838 nan 8.310 nan 0.000 0.491 303 L N 3.142 124.342 121.223 -0.039 0.000 2.446 303 L HA 0.454 4.747 4.340 -0.080 0.000 0.268 303 L C -0.174 176.594 176.870 -0.170 0.000 0.975 303 L CA -0.087 54.676 54.840 -0.127 0.000 0.848 303 L CB 1.872 43.758 42.059 -0.289 0.000 1.225 303 L HN 0.743 nan 8.230 nan 0.000 0.410 304 S N 6.371 122.050 115.700 -0.035 0.000 3.864 304 S HA 0.345 4.767 4.470 -0.080 0.000 0.202 304 S C 0.187 174.675 174.600 -0.187 0.000 1.402 304 S CA -0.258 57.921 58.200 -0.034 0.000 1.072 304 S CB -1.421 61.844 63.200 0.108 0.000 1.383 304 S HN 0.539 nan 8.310 nan 0.000 0.458 305 I N -1.612 118.710 120.570 -0.412 0.000 2.693 305 I HA 0.680 4.802 4.170 -0.080 0.000 0.303 305 I C -0.594 175.335 176.117 -0.313 0.000 1.025 305 I CA -1.494 59.511 61.300 -0.491 0.000 1.086 305 I CB 1.195 38.652 38.000 -0.906 0.000 1.268 305 I HN -0.002 nan 8.210 nan 0.000 0.440 306 L N 4.240 125.317 121.223 -0.244 0.000 2.260 306 L HA 0.499 4.791 4.340 -0.080 0.000 0.289 306 L C -0.914 175.843 176.870 -0.189 0.000 1.057 306 L CA 0.465 55.203 54.840 -0.171 0.000 0.811 306 L CB 0.318 42.306 42.059 -0.118 0.000 1.184 306 L HN 0.786 nan 8.230 nan 0.000 0.429 307 N N 4.792 123.395 118.700 -0.162 0.000 2.371 307 N HA 0.404 5.097 4.740 -0.080 0.000 0.291 307 N C -0.457 174.968 175.510 -0.141 0.000 1.053 307 N CA -0.491 52.462 53.050 -0.162 0.000 0.870 307 N CB 1.368 39.742 38.487 -0.188 0.000 1.503 307 N HN 0.694 nan 8.380 nan 0.000 0.485 308 M N 3.328 122.815 119.600 -0.188 0.000 2.303 308 M HA -0.250 4.182 4.480 -0.080 0.000 0.189 308 M C 0.556 176.655 176.300 -0.336 0.000 0.688 308 M CA 1.474 56.575 55.300 -0.332 0.000 0.479 308 M CB -1.449 30.904 32.600 -0.412 0.000 1.094 308 M HN 1.027 nan 8.290 nan 0.000 0.907 309 G N -0.311 108.320 108.800 -0.281 0.000 2.217 309 G HA2 -0.284 3.628 3.960 -0.080 0.000 0.246 309 G HA3 -0.284 3.628 3.960 -0.080 0.000 0.246 309 G C -0.270 174.170 174.900 -0.766 0.000 0.990 309 G CA 0.201 45.017 45.100 -0.472 0.000 0.627 309 G HN 0.645 nan 8.290 nan 0.000 0.522 310 F N 0.282 120.155 119.950 -0.128 0.000 2.608 310 F HA 0.696 5.175 4.527 -0.080 0.000 0.309 310 F C 0.376 176.097 175.800 -0.132 0.000 1.103 310 F CA -1.259 56.675 58.000 -0.110 0.000 0.954 310 F CB 1.373 40.311 39.000 -0.103 0.000 1.267 310 F HN -0.120 nan 8.300 nan 0.000 0.444 311 M N 2.881 122.516 119.600 0.058 0.000 2.239 311 M HA 0.207 4.639 4.480 -0.080 0.000 0.348 311 M C 0.669 176.952 176.300 -0.029 0.000 1.239 311 M CA 0.140 55.419 55.300 -0.034 0.000 1.114 311 M CB 0.602 33.161 32.600 -0.068 0.000 1.641 311 M HN 0.497 nan 8.290 nan 0.000 0.453 312 R N 1.936 122.375 120.500 -0.101 0.000 2.978 312 R HA 0.269 4.561 4.340 -0.080 0.000 0.298 312 R C 0.749 176.993 176.300 -0.093 0.000 1.296 312 R CA -0.157 55.877 56.100 -0.109 0.000 1.181 312 R CB -0.833 29.368 30.300 -0.164 0.000 1.348 312 R HN 0.859 nan 8.270 nan 0.000 0.585 313 G N 0.415 109.174 108.800 -0.068 0.000 2.570 313 G HA2 0.275 4.187 3.960 -0.080 0.000 0.276 313 G HA3 0.275 4.187 3.960 -0.080 0.000 0.276 313 G C -0.832 174.048 174.900 -0.034 0.000 1.346 313 G CA -0.250 44.829 45.100 -0.034 0.000 1.034 313 G HN 0.232 nan 8.290 nan 0.000 0.512 314 L N -0.667 120.557 121.223 0.002 0.000 2.516 314 L HA 0.505 4.797 4.340 -0.080 0.000 0.267 314 L C 0.074 176.964 176.870 0.034 0.000 0.957 314 L CA -0.516 54.323 54.840 -0.002 0.000 0.860 314 L CB 2.042 44.110 42.059 0.015 0.000 1.265 314 L HN 0.524 nan 8.230 nan 0.000 0.403 315 S N 5.822 121.520 115.700 -0.003 0.000 2.499 315 S HA 0.443 4.865 4.470 -0.080 0.000 0.275 315 S C -1.774 172.910 174.600 0.141 0.000 1.257 315 S CA -0.988 57.242 58.200 0.050 0.000 1.050 315 S CB 0.994 64.150 63.200 -0.072 0.000 0.937 315 S HN 0.597 nan 8.310 nan 0.000 0.490 316 P HA -0.102 nan 4.420 nan 0.000 0.216 316 P C 1.026 178.449 177.300 0.206 0.000 1.150 316 P CA 1.042 64.248 63.100 0.176 0.000 0.837 316 P CB -0.124 31.677 31.700 0.168 0.000 0.786 317 Y N -1.118 119.269 120.300 0.146 0.000 2.128 317 Y HA -0.305 4.197 4.550 -0.080 0.000 0.284 317 Y C 2.192 178.227 175.900 0.224 0.000 1.154 317 Y CA 1.555 59.751 58.100 0.160 0.000 1.149 317 Y CB -0.855 37.713 38.460 0.180 0.000 0.976 317 Y HN -0.151 nan 8.280 nan 0.000 0.505 318 Y N -0.208 119.960 120.300 -0.221 0.000 2.181 318 Y HA -0.295 4.207 4.550 -0.080 0.000 0.288 318 Y C 2.453 178.248 175.900 -0.175 0.000 1.146 318 Y CA 1.335 59.266 58.100 -0.282 0.000 1.164 318 Y CB -0.669 37.725 38.460 -0.110 0.000 0.982 318 Y HN 0.242 nan 8.280 nan 0.000 0.515 319 M N -0.674 118.983 119.600 0.096 0.000 2.202 319 M HA -0.183 4.249 4.480 -0.080 0.000 0.262 319 M C 2.425 178.746 176.300 0.036 0.000 1.063 319 M CA 1.509 56.850 55.300 0.067 0.000 1.097 319 M CB -1.676 30.983 32.600 0.098 0.000 1.382 319 M HN 0.284 nan 8.290 nan 0.000 0.413 320 A N -0.121 122.719 122.820 0.035 0.000 1.908 320 A HA -0.032 4.240 4.320 -0.080 0.000 0.218 320 A C 2.305 179.891 177.584 0.003 0.000 1.181 320 A CA 2.012 54.101 52.037 0.086 0.000 0.627 320 A CB -1.186 17.810 19.000 -0.006 0.000 0.818 320 A HN 0.544 nan 8.150 nan 0.000 0.445 321 G N -2.615 106.117 108.800 -0.112 0.000 3.126 321 G HA2 0.214 4.127 3.960 -0.080 0.000 0.224 321 G HA3 0.214 4.127 3.960 -0.080 0.000 0.224 321 G C 1.174 176.015 174.900 -0.100 0.000 1.142 321 G CA 0.968 45.996 45.100 -0.119 0.000 0.759 321 G HN 0.360 nan 8.290 nan 0.000 0.550 322 T N 2.304 116.811 114.554 -0.078 0.000 2.652 322 T HA -0.097 4.205 4.350 -0.080 0.000 0.267 322 T C 0.076 174.763 174.700 -0.022 0.000 1.039 322 T CA 1.625 63.700 62.100 -0.043 0.000 1.153 322 T CB -0.612 68.253 68.868 -0.004 0.000 0.863 322 T HN 0.205 nan 8.240 nan 0.000 0.428 323 P HA 0.054 nan 4.420 nan 0.000 0.217 323 P C 1.390 178.686 177.300 -0.007 0.000 1.150 323 P CA 1.094 64.178 63.100 -0.026 0.000 0.832 323 P CB -0.173 31.482 31.700 -0.074 0.000 0.787 324 A N -0.559 122.252 122.820 -0.014 0.000 1.877 324 A HA -0.178 4.094 4.320 -0.080 0.000 0.216 324 A C 2.197 179.808 177.584 0.045 0.000 1.186 324 A CA 1.405 53.449 52.037 0.011 0.000 0.620 324 A CB -1.629 17.365 19.000 -0.010 0.000 0.822 324 A HN 0.092 nan 8.150 nan 0.000 0.443 325 I N 0.134 120.712 120.570 0.012 0.000 2.163 325 I HA -0.310 3.812 4.170 -0.080 0.000 0.243 325 I C 2.354 178.535 176.117 0.107 0.000 1.085 325 I CA 1.435 62.757 61.300 0.037 0.000 1.347 325 I CB -0.471 37.514 38.000 -0.025 0.000 1.044 325 I HN 0.422 nan 8.210 nan 0.000 0.408 326 N N 0.315 119.061 118.700 0.076 0.000 2.120 326 N HA -0.242 4.450 4.740 -0.080 0.000 0.188 326 N C 1.841 177.419 175.510 0.112 0.000 1.024 326 N CA 1.384 54.488 53.050 0.089 0.000 0.852 326 N CB -0.157 38.357 38.487 0.046 0.000 1.003 326 N HN 0.447 nan 8.380 nan 0.000 0.424 327 E N 0.230 120.487 120.200 0.096 0.000 2.077 327 E HA -0.222 4.080 4.350 -0.080 0.000 0.193 327 E C 1.893 178.570 176.600 0.128 0.000 0.989 327 E CA 0.933 57.396 56.400 0.106 0.000 0.800 327 E CB -0.127 29.619 29.700 0.077 0.000 0.746 327 E HN 0.375 nan 8.360 nan 0.000 0.452 328 Y N 0.890 121.212 120.300 0.038 0.000 2.114 328 Y HA -0.220 4.283 4.550 -0.080 0.000 0.284 328 Y C 1.977 177.894 175.900 0.029 0.000 1.143 328 Y CA 2.035 60.148 58.100 0.021 0.000 1.135 328 Y CB -0.107 38.352 38.460 -0.002 0.000 0.980 328 Y HN 0.035 nan 8.280 nan 0.000 0.499 329 I N -0.781 119.874 120.570 0.141 0.000 2.179 329 I HA -0.337 3.786 4.170 -0.080 0.000 0.242 329 I C 2.377 178.520 176.117 0.043 0.000 1.088 329 I CA 1.800 63.154 61.300 0.091 0.000 1.357 329 I CB -0.644 37.485 38.000 0.215 0.000 1.051 329 I HN 0.301 nan 8.210 nan 0.000 0.409 330 H N 1.411 120.477 119.070 -0.007 0.000 2.319 330 H HA -0.224 4.284 4.556 -0.080 0.000 0.297 330 H C 1.819 177.109 175.328 -0.064 0.000 1.097 330 H CA 2.173 58.206 56.048 -0.025 0.000 1.285 330 H CB -0.144 29.605 29.762 -0.022 0.000 1.368 330 H HN 0.232 nan 8.280 nan 0.000 0.495 331 D N 0.078 120.397 120.400 -0.135 0.000 2.117 331 D HA -0.156 4.437 4.640 -0.080 0.000 0.197 331 D C 2.506 178.648 176.300 -0.263 0.000 0.987 331 D CA 1.061 54.934 54.000 -0.212 0.000 0.829 331 D CB -0.569 40.132 40.800 -0.165 0.000 0.961 331 D HN 0.412 nan 8.370 nan 0.000 0.460 332 L N 0.485 121.499 121.223 -0.350 0.000 2.012 332 L HA -0.184 4.108 4.340 -0.080 0.000 0.210 332 L C 2.277 179.014 176.870 -0.222 0.000 1.073 332 L CA 1.262 55.888 54.840 -0.357 0.000 0.748 332 L CB -0.173 41.596 42.059 -0.482 0.000 0.891 332 L HN -0.017 nan 8.230 nan 0.000 0.431 333 I N -0.825 119.659 120.570 -0.145 0.000 2.226 333 I HA -0.272 3.850 4.170 -0.080 0.000 0.245 333 I C 2.452 178.541 176.117 -0.047 0.000 1.100 333 I CA 1.289 62.581 61.300 -0.013 0.000 1.374 333 I CB -0.282 37.769 38.000 0.085 0.000 1.057 333 I HN 0.217 nan 8.210 nan 0.000 0.413 334 S N 0.664 116.249 115.700 -0.191 0.000 2.423 334 S HA -0.069 4.354 4.470 -0.080 0.000 0.231 334 S C 1.999 176.553 174.600 -0.077 0.000 1.014 334 S CA 1.205 59.297 58.200 -0.181 0.000 0.965 334 S CB -0.176 62.834 63.200 -0.317 0.000 0.785 334 S HN 0.545 nan 8.310 nan 0.000 0.495 335 A N 0.635 123.417 122.820 -0.064 0.000 2.218 335 A HA 0.109 4.381 4.320 -0.080 0.000 0.209 335 A C 0.719 178.339 177.584 0.060 0.000 1.168 335 A CA -0.001 52.029 52.037 -0.012 0.000 0.804 335 A CB 0.057 19.038 19.000 -0.032 0.000 0.834 335 A HN 0.303 nan 8.150 nan 0.000 0.482 336 D N 0.462 120.925 120.400 0.104 0.000 2.347 336 D HA 0.207 4.799 4.640 -0.080 0.000 0.235 336 D C -1.728 174.697 176.300 0.209 0.000 1.149 336 D CA -1.868 52.271 54.000 0.232 0.000 0.850 336 D CB 1.622 42.649 40.800 0.378 0.000 1.061 336 D HN 0.073 nan 8.370 nan 0.000 0.487 337 P HA -0.082 nan 4.420 nan 0.000 0.221 337 P C 1.541 178.933 177.300 0.154 0.000 1.150 337 P CA 0.472 63.657 63.100 0.142 0.000 0.800 337 P CB 0.142 31.918 31.700 0.126 0.000 0.787 338 W N 1.058 122.386 121.300 0.047 0.000 2.355 338 W HA -0.102 4.509 4.660 -0.081 0.000 0.309 338 W C 2.194 178.677 176.519 -0.061 0.000 1.206 338 W CA 1.197 58.515 57.345 -0.044 0.000 1.284 338 W CB -0.792 28.525 29.460 -0.238 0.000 1.145 338 W HN -0.254 nan 8.180 nan 0.000 0.502 339 L N 0.229 121.638 121.223 0.309 0.000 2.093 339 L HA -0.162 4.130 4.340 -0.080 0.000 0.208 339 L C 2.748 179.659 176.870 0.068 0.000 1.085 339 L CA 1.248 56.239 54.840 0.252 0.000 0.755 339 L CB -0.854 41.450 42.059 0.408 0.000 0.904 339 L HN -0.086 nan 8.230 nan 0.000 0.435 340 R N 0.021 120.554 120.500 0.055 0.000 2.083 340 R HA -0.186 4.106 4.340 -0.080 0.000 0.237 340 R C 2.353 178.616 176.300 -0.060 0.000 1.137 340 R CA 1.604 57.709 56.100 0.007 0.000 0.951 340 R CB -0.523 29.787 30.300 0.016 0.000 0.851 340 R HN 0.371 nan 8.270 nan 0.000 0.434 341 A N 1.179 123.918 122.820 -0.135 0.000 1.969 341 A HA -0.161 4.112 4.320 -0.080 0.000 0.218 341 A C 1.930 179.338 177.584 -0.292 0.000 1.169 341 A CA 1.276 53.188 52.037 -0.207 0.000 0.635 341 A CB -0.522 18.328 19.000 -0.250 0.000 0.810 341 A HN 0.351 nan 8.150 nan 0.000 0.445 342 N N -0.999 117.448 118.700 -0.422 0.000 2.173 342 N HA 0.028 4.720 4.740 -0.080 0.000 0.184 342 N C 1.354 176.778 175.510 -0.143 0.000 1.025 342 N CA 1.933 54.732 53.050 -0.418 0.000 0.852 342 N CB 0.096 38.150 38.487 -0.723 0.000 0.998 342 N HN 0.565 nan 8.380 nan 0.000 0.427 343 G N 0.223 109.002 108.800 -0.035 0.000 2.218 343 G HA2 -0.240 3.673 3.960 -0.080 0.000 0.216 343 G HA3 -0.240 3.673 3.960 -0.080 0.000 0.216 343 G C 0.104 175.095 174.900 0.151 0.000 0.994 343 G CA 0.052 45.182 45.100 0.049 0.000 0.637 343 G HN 0.410 nan 8.290 nan 0.000 0.505 344 F N 3.579 123.557 119.950 0.046 0.000 2.629 344 F HA 0.489 4.968 4.527 -0.080 0.000 0.377 344 F C 0.981 176.876 175.800 0.159 0.000 1.101 344 F CA 0.972 59.039 58.000 0.110 0.000 1.301 344 F CB 0.435 39.511 39.000 0.126 0.000 1.062 344 F HN 0.642 nan 8.300 nan 0.000 0.583 345 R N 5.705 125.872 120.500 -0.555 0.000 2.728 345 R HA 0.619 4.911 4.340 -0.080 0.000 0.274 345 R C -1.510 174.472 176.300 -0.530 0.000 1.030 345 R CA -1.075 54.788 56.100 -0.396 0.000 0.876 345 R CB 0.885 31.145 30.300 -0.067 0.000 1.259 345 R HN 0.694 nan 8.270 nan 0.000 0.468 346 I N -0.690 119.713 120.570 -0.278 0.000 2.664 346 I HA 0.461 4.583 4.170 -0.080 0.000 0.308 346 I C -0.681 175.312 176.117 -0.206 0.000 0.984 346 I CA -1.243 59.920 61.300 -0.228 0.000 1.213 346 I CB 1.169 39.133 38.000 -0.061 0.000 1.379 346 I HN 0.385 nan 8.210 nan 0.000 0.501 347 L N 4.731 125.848 121.223 -0.177 0.000 2.255 347 L HA 0.464 4.756 4.340 -0.080 0.000 0.289 347 L C 0.204 177.030 176.870 -0.075 0.000 1.046 347 L CA -0.467 54.286 54.840 -0.145 0.000 0.816 347 L CB 0.552 42.565 42.059 -0.076 0.000 1.197 347 L HN 0.659 nan 8.230 nan 0.000 0.427 348 R N 2.362 122.804 120.500 -0.097 0.000 2.489 348 R HA 0.088 4.380 4.340 -0.080 0.000 0.287 348 R C -0.256 176.051 176.300 0.010 0.000 1.053 348 R CA -0.250 55.814 56.100 -0.060 0.000 1.036 348 R CB 0.482 30.698 30.300 -0.140 0.000 0.966 348 R HN 0.494 nan 8.270 nan 0.000 0.432 349 E N 2.359 122.579 120.200 0.033 0.000 1.944 349 E HA -0.031 4.271 4.350 -0.080 0.000 0.272 349 E C 1.136 177.777 176.600 0.068 0.000 1.195 349 E CA -0.219 56.223 56.400 0.071 0.000 0.926 349 E CB 0.620 30.355 29.700 0.058 0.000 1.051 349 E HN 0.517 nan 8.360 nan 0.000 0.404 350 V N 0.820 120.793 119.914 0.098 0.000 2.951 350 V HA 0.322 4.394 4.120 -0.080 0.000 0.255 350 V C 0.694 176.815 176.094 0.045 0.000 1.088 350 V CA 0.766 63.099 62.300 0.054 0.000 1.109 350 V CB -0.141 31.711 31.823 0.048 0.000 0.724 350 V HN 0.443 nan 8.190 nan 0.000 0.471 351 A N 0.053 122.956 122.820 0.139 0.000 2.612 351 A HA 0.844 5.116 4.320 -0.080 0.000 0.293 351 A C -0.462 177.302 177.584 0.300 0.000 1.075 351 A CA 0.148 52.235 52.037 0.084 0.000 0.680 351 A CB 1.613 20.667 19.000 0.090 0.000 1.279 351 A HN 1.241 nan 8.150 nan 0.000 0.411 352 S N 0.355 116.124 115.700 0.115 0.000 2.579 352 S HA 0.856 5.279 4.470 -0.080 0.000 0.272 352 S C -0.972 173.747 174.600 0.198 0.000 1.141 352 S CA -0.675 57.646 58.200 0.202 0.000 0.843 352 S CB 1.431 64.667 63.200 0.060 0.000 1.122 352 S HN 0.781 nan 8.310 nan 0.000 0.468 353 M N 1.691 121.439 119.600 0.246 0.000 2.267 353 M HA 0.529 4.962 4.480 -0.080 0.000 0.289 353 M C -0.362 176.001 176.300 0.105 0.000 1.043 353 M CA -0.481 54.941 55.300 0.204 0.000 0.928 353 M CB 2.581 35.368 32.600 0.313 0.000 1.613 353 M HN 1.026 nan 8.290 nan 0.000 0.450 354 G N 2.387 111.255 108.800 0.114 0.000 2.478 354 G HA2 0.639 4.551 3.960 -0.080 0.000 0.317 354 G HA3 0.639 4.551 3.960 -0.080 0.000 0.317 354 G C -1.901 173.051 174.900 0.087 0.000 1.259 354 G CA -0.311 44.855 45.100 0.111 0.000 0.933 354 G HN 0.590 nan 8.290 nan 0.000 0.478 355 F N 3.383 123.261 119.950 -0.120 0.000 2.391 355 F HA 0.539 5.018 4.527 -0.080 0.000 0.359 355 F C 0.717 176.513 175.800 -0.007 0.000 1.122 355 F CA -1.155 56.761 58.000 -0.139 0.000 1.120 355 F CB 0.953 39.702 39.000 -0.419 0.000 1.142 355 F HN 0.288 nan 8.300 nan 0.000 0.483 356 R N 4.112 124.388 120.500 -0.373 0.000 2.265 356 R HA 0.164 4.456 4.340 -0.080 0.000 0.314 356 R C -0.385 175.560 176.300 -0.592 0.000 1.053 356 R CA -0.594 55.276 56.100 -0.384 0.000 0.931 356 R CB 0.519 30.518 30.300 -0.501 0.000 1.024 356 R HN 0.530 nan 8.270 nan 0.000 0.457 357 N N 3.267 121.929 118.700 -0.063 0.000 2.500 357 N HA 0.014 4.706 4.740 -0.080 0.000 0.236 357 N C -0.131 175.371 175.510 -0.013 0.000 1.022 357 N CA -0.059 53.033 53.050 0.071 0.000 0.935 357 N CB 0.538 39.150 38.487 0.209 0.000 1.147 357 N HN 0.508 nan 8.380 nan 0.000 0.512 358 Y N 2.631 123.009 120.300 0.130 0.000 2.509 358 Y HA -0.055 4.447 4.550 -0.079 0.000 0.293 358 Y C 1.216 177.065 175.900 -0.085 0.000 1.133 358 Y CA 0.546 58.635 58.100 -0.019 0.000 1.283 358 Y CB -0.444 37.949 38.460 -0.113 0.000 1.001 358 Y HN 0.582 nan 8.280 nan 0.000 0.555 359 Y N -2.205 118.147 120.300 0.088 0.000 2.133 359 Y HA -0.271 4.231 4.550 -0.080 0.000 0.287 359 Y C 2.042 177.915 175.900 -0.045 0.000 1.134 359 Y CA 1.412 59.460 58.100 -0.086 0.000 1.133 359 Y CB -0.892 37.373 38.460 -0.324 0.000 0.987 359 Y HN 0.006 nan 8.280 nan 0.000 0.502 360 Y N 0.305 120.723 120.300 0.196 0.000 2.224 360 Y HA -0.191 4.311 4.550 -0.079 0.000 0.289 360 Y C 2.250 178.217 175.900 0.112 0.000 1.146 360 Y CA 1.025 59.199 58.100 0.123 0.000 1.182 360 Y CB -0.781 37.768 38.460 0.148 0.000 0.983 360 Y HN 0.234 nan 8.280 nan 0.000 0.524 361 E N -0.456 119.912 120.200 0.280 0.000 2.106 361 E HA -0.164 4.139 4.350 -0.080 0.000 0.192 361 E C 2.350 179.039 176.600 0.149 0.000 0.984 361 E CA 0.896 57.418 56.400 0.203 0.000 0.806 361 E CB -0.210 29.618 29.700 0.214 0.000 0.750 361 E HN 0.442 nan 8.360 nan 0.000 0.458 362 A N 1.177 124.079 122.820 0.138 0.000 1.968 362 A HA 0.036 4.309 4.320 -0.080 0.000 0.217 362 A C 2.286 179.918 177.584 0.081 0.000 1.169 362 A CA 1.352 53.441 52.037 0.086 0.000 0.638 362 A CB -0.242 18.794 19.000 0.060 0.000 0.812 362 A HN 0.268 nan 8.150 nan 0.000 0.446 363 A N -0.707 122.177 122.820 0.107 0.000 1.935 363 A HA 0.367 4.639 4.320 -0.080 0.000 0.214 363 A C 0.803 178.430 177.584 0.072 0.000 1.178 363 A CA 0.628 52.716 52.037 0.086 0.000 0.640 363 A CB -0.163 18.898 19.000 0.101 0.000 0.825 363 A HN 0.412 nan 8.150 nan 0.000 0.447 364 I N -0.302 120.323 120.570 0.092 0.000 2.410 364 I HA 0.241 4.364 4.170 -0.080 0.000 0.286 364 I C -0.221 175.936 176.117 0.066 0.000 1.009 364 I CA -0.462 60.880 61.300 0.070 0.000 1.111 364 I CB 1.919 39.962 38.000 0.072 0.000 1.262 364 I HN 0.025 nan 8.210 nan 0.000 0.443 365 D N 2.460 122.887 120.400 0.044 0.000 2.234 365 D HA -0.050 4.542 4.640 -0.080 0.000 0.205 365 D C 1.080 177.399 176.300 0.030 0.000 0.962 365 D CA 1.056 55.076 54.000 0.033 0.000 0.855 365 D CB 0.495 41.307 40.800 0.021 0.000 0.951 365 D HN 0.502 nan 8.370 nan 0.000 0.500 366 T N 0.180 114.756 114.554 0.036 0.000 2.849 366 T HA 0.026 4.329 4.350 -0.080 0.000 0.284 366 T C -0.282 174.447 174.700 0.049 0.000 1.004 366 T CA -0.693 61.429 62.100 0.037 0.000 1.021 366 T CB 1.251 70.141 68.868 0.037 0.000 1.013 366 T HN -0.227 nan 8.240 nan 0.000 0.527 367 D N 1.361 121.791 120.400 0.050 0.000 2.533 367 D HA 0.239 4.832 4.640 -0.080 0.000 0.236 367 D C -0.320 176.021 176.300 0.069 0.000 1.137 367 D CA 1.159 55.196 54.000 0.061 0.000 0.867 367 D CB 0.351 41.190 40.800 0.064 0.000 1.170 367 D HN 0.593 nan 8.370 nan 0.000 0.474 368 T N 2.736 117.337 114.554 0.077 0.000 2.957 368 T HA 0.353 4.655 4.350 -0.080 0.000 0.336 368 T C -2.339 172.402 174.700 0.069 0.000 1.462 368 T CA -1.200 60.958 62.100 0.097 0.000 1.073 368 T CB 1.712 70.666 68.868 0.143 0.000 1.319 368 T HN 0.107 nan 8.240 nan 0.000 0.485 369 P HA -0.011 nan 4.420 nan 0.000 0.225 369 P C 0.826 178.029 177.300 -0.162 0.000 1.148 369 P CA 0.897 63.947 63.100 -0.084 0.000 0.779 369 P CB -0.083 31.519 31.700 -0.163 0.000 0.780 370 Y N 0.845 121.058 120.300 -0.145 0.000 2.421 370 Y HA -0.044 4.458 4.550 -0.079 0.000 0.292 370 Y C 2.252 178.041 175.900 -0.186 0.000 1.136 370 Y CA 1.181 59.052 58.100 -0.381 0.000 1.255 370 Y CB -0.576 37.385 38.460 -0.832 0.000 0.991 370 Y HN -0.049 nan 8.280 nan 0.000 0.552 371 K N 0.073 120.548 120.400 0.126 0.000 2.459 371 K HA 0.012 4.284 4.320 -0.080 0.000 0.193 371 K C 0.719 177.463 176.600 0.239 0.000 1.030 371 K CA 0.590 57.014 56.287 0.229 0.000 1.026 371 K CB 0.122 32.733 32.500 0.185 0.000 0.809 371 K HN 0.210 nan 8.250 nan 0.000 0.504 372 K N -0.050 120.451 120.400 0.169 0.000 2.537 372 K HA 0.255 4.528 4.320 -0.080 0.000 0.206 372 K C 0.793 177.482 176.600 0.149 0.000 1.041 372 K CA -0.131 56.236 56.287 0.133 0.000 1.090 372 K CB 0.549 33.072 32.500 0.038 0.000 0.833 372 K HN 0.045 nan 8.250 nan 0.000 0.493 373 M N 0.001 119.752 119.600 0.251 0.000 2.541 373 M HA 0.142 4.575 4.480 -0.080 0.000 0.252 373 M C 0.027 176.433 176.300 0.177 0.000 1.125 373 M CA 0.883 56.298 55.300 0.192 0.000 1.091 373 M CB 0.480 33.240 32.600 0.266 0.000 1.420 373 M HN 0.115 nan 8.290 nan 0.000 0.486 374 F N 0.911 120.901 119.950 0.067 0.000 2.931 374 F HA 0.338 4.817 4.527 -0.080 0.000 0.375 374 F C -0.994 174.872 175.800 0.109 0.000 1.243 374 F CA -0.598 57.392 58.000 -0.016 0.000 1.206 374 F CB 0.620 39.491 39.000 -0.215 0.000 1.643 374 F HN -0.216 nan 8.300 nan 0.000 0.593 375 S N 2.159 117.995 115.700 0.226 0.000 2.618 375 S HA 0.967 5.389 4.470 -0.080 0.000 0.277 375 S C -1.102 173.515 174.600 0.027 0.000 1.138 375 S CA -0.712 57.534 58.200 0.078 0.000 0.844 375 S CB 2.090 65.344 63.200 0.090 0.000 1.127 375 S HN 0.655 nan 8.310 nan 0.000 0.474 376 A N 0.836 123.626 122.820 -0.049 0.000 2.594 376 A HA 0.870 5.142 4.320 -0.080 0.000 0.295 376 A C -1.848 175.599 177.584 -0.228 0.000 1.071 376 A CA -0.732 51.181 52.037 -0.207 0.000 0.685 376 A CB 0.998 19.765 19.000 -0.388 0.000 1.285 376 A HN 1.071 nan 8.150 nan 0.000 0.405 377 L N -2.671 118.357 121.223 -0.325 0.000 2.409 377 L HA 0.910 5.203 4.340 -0.080 0.000 0.255 377 L C -1.330 175.380 176.870 -0.266 0.000 1.027 377 L CA -0.877 53.875 54.840 -0.146 0.000 0.834 377 L CB 1.355 43.431 42.059 0.029 0.000 1.426 377 L HN 0.708 nan 8.230 nan 0.000 0.411 378 W N 1.235 122.601 121.300 0.110 0.000 2.587 378 W HA 0.662 5.274 4.660 -0.079 0.000 0.324 378 W C -0.399 176.197 176.519 0.129 0.000 1.040 378 W CA -0.524 56.907 57.345 0.143 0.000 1.222 378 W CB 2.278 31.827 29.460 0.148 0.000 1.381 378 W HN 0.656 nan 8.180 nan 0.000 0.483 379 R N 2.358 123.079 120.500 0.368 0.000 2.534 379 R HA 0.191 4.484 4.340 -0.080 0.000 0.301 379 R C -0.142 176.377 176.300 0.364 0.000 0.961 379 R CA -0.606 55.674 56.100 0.300 0.000 0.871 379 R CB 1.929 32.359 30.300 0.217 0.000 1.170 379 R HN 0.592 nan 8.270 nan 0.000 0.446 380 E N 2.704 123.029 120.200 0.208 0.000 2.608 380 E HA -0.184 4.118 4.350 -0.080 0.000 0.259 380 E C -0.639 176.087 176.600 0.211 0.000 0.951 380 E CA 0.250 56.727 56.400 0.128 0.000 0.945 380 E CB 0.463 30.157 29.700 -0.011 0.000 0.916 380 E HN 0.376 nan 8.360 nan 0.000 0.477 381 N N 5.967 124.729 118.700 0.103 0.000 2.442 381 N HA 0.054 4.746 4.740 -0.080 0.000 0.265 381 N C -1.850 173.691 175.510 0.051 0.000 1.138 381 N CA -1.864 51.222 53.050 0.059 0.000 0.956 381 N CB 1.194 39.661 38.487 -0.032 0.000 1.067 381 N HN 0.346 nan 8.380 nan 0.000 0.474 382 P HA -0.040 nan 4.420 nan 0.000 0.229 382 P C 1.481 178.812 177.300 0.052 0.000 1.160 382 P CA 0.622 63.719 63.100 -0.005 0.000 0.777 382 P CB 0.486 32.257 31.700 0.118 0.000 0.814 383 L N 0.320 121.584 121.223 0.068 0.000 2.191 383 L HA -0.099 4.193 4.340 -0.080 0.000 0.212 383 L C 2.525 179.428 176.870 0.055 0.000 1.103 383 L CA 2.081 56.964 54.840 0.071 0.000 0.769 383 L CB -1.432 40.699 42.059 0.119 0.000 0.908 383 L HN 0.133 nan 8.230 nan 0.000 0.438 384 T N -3.167 111.404 114.554 0.028 0.000 3.085 384 T HA -0.008 4.294 4.350 -0.080 0.000 0.263 384 T C 1.520 176.223 174.700 0.005 0.000 1.127 384 T CA 0.519 62.625 62.100 0.009 0.000 1.103 384 T CB -0.119 68.743 68.868 -0.011 0.000 0.921 384 T HN 0.295 nan 8.240 nan 0.000 0.510 385 L N 0.664 121.891 121.223 0.007 0.000 2.554 385 L HA 0.484 4.776 4.340 -0.080 0.000 0.225 385 L C 1.044 177.988 176.870 0.124 0.000 1.104 385 L CA -0.275 54.574 54.840 0.015 0.000 0.866 385 L CB -0.210 41.758 42.059 -0.152 0.000 1.047 385 L HN 0.426 nan 8.230 nan 0.000 0.468 386 I N -2.671 117.977 120.570 0.130 0.000 2.924 386 I HA 0.766 4.888 4.170 -0.080 0.000 0.316 386 I C 0.271 176.425 176.117 0.061 0.000 1.014 386 I CA -0.953 60.419 61.300 0.120 0.000 1.106 386 I CB 1.208 39.273 38.000 0.108 0.000 1.311 386 I HN -0.191 nan 8.210 nan 0.000 0.502 387 A N 2.808 125.652 122.820 0.040 0.000 2.304 387 A HA 0.647 4.919 4.320 -0.080 0.000 0.271 387 A C -2.401 175.196 177.584 0.020 0.000 1.091 387 A CA -1.531 50.521 52.037 0.025 0.000 0.812 387 A CB -0.662 18.347 19.000 0.015 0.000 1.056 387 A HN 0.639 nan 8.150 nan 0.000 0.489 388 P HA 0.225 nan 4.420 nan 0.000 0.262 388 P C 1.031 178.339 177.300 0.013 0.000 1.182 388 P CA 1.977 65.086 63.100 0.016 0.000 0.761 388 P CB 0.520 32.227 31.700 0.013 0.000 0.795 389 G N 1.724 110.533 108.800 0.015 0.000 2.268 389 G HA2 -0.242 3.671 3.960 -0.080 0.000 0.240 389 G HA3 -0.242 3.671 3.960 -0.080 0.000 0.240 389 G C 0.215 175.121 174.900 0.011 0.000 1.010 389 G CA -0.285 44.823 45.100 0.013 0.000 0.618 389 G HN 0.575 nan 8.290 nan 0.000 0.516 390 Q N 1.153 120.958 119.800 0.007 0.000 2.368 390 Q HA 0.499 4.791 4.340 -0.080 0.000 0.237 390 Q C 0.328 176.328 176.000 -0.000 0.000 0.987 390 Q CA 0.259 56.060 55.803 -0.002 0.000 0.896 390 Q CB 0.646 29.377 28.738 -0.012 0.000 1.241 390 Q HN 0.719 nan 8.270 nan 0.000 0.485 391 N N 0.485 119.178 118.700 -0.011 0.000 2.571 391 N HA 0.503 5.196 4.740 -0.080 0.000 0.273 391 N C -1.462 174.022 175.510 -0.044 0.000 1.340 391 N CA -0.641 52.404 53.050 -0.009 0.000 0.789 391 N CB 1.286 39.784 38.487 0.018 0.000 1.514 391 N HN 0.360 nan 8.380 nan 0.000 0.499 392 L N 0.295 121.481 121.223 -0.062 0.000 2.334 392 L HA 0.637 4.929 4.340 -0.080 0.000 0.276 392 L C -0.186 176.691 176.870 0.011 0.000 1.014 392 L CA -0.871 53.884 54.840 -0.141 0.000 0.815 392 L CB 1.583 43.358 42.059 -0.472 0.000 1.268 392 L HN 0.687 nan 8.230 nan 0.000 0.428 393 M N 0.199 119.815 119.600 0.027 0.000 2.371 393 M HA 0.388 4.820 4.480 -0.080 0.000 0.287 393 M C -0.465 175.901 176.300 0.109 0.000 1.149 393 M CA -0.488 54.884 55.300 0.121 0.000 0.929 393 M CB 1.977 34.622 32.600 0.075 0.000 1.683 393 M HN 0.387 nan 8.290 nan 0.000 0.470 394 T N 2.120 116.768 114.554 0.155 0.000 2.934 394 T HA 0.085 4.388 4.350 -0.080 0.000 0.306 394 T C 0.909 175.644 174.700 0.059 0.000 1.042 394 T CA 0.139 62.305 62.100 0.111 0.000 1.145 394 T CB 0.372 69.294 68.868 0.091 0.000 0.982 394 T HN 0.905 nan 8.240 nan 0.000 0.544 395 M N 4.708 124.320 119.600 0.019 0.000 2.358 395 M HA -0.042 4.390 4.480 -0.080 0.000 0.264 395 M C 2.225 178.576 176.300 0.085 0.000 1.064 395 M CA 1.717 57.004 55.300 -0.021 0.000 1.093 395 M CB -0.514 31.954 32.600 -0.219 0.000 1.401 395 M HN 0.876 nan 8.290 nan 0.000 0.440 396 A N 0.270 123.151 122.820 0.102 0.000 2.084 396 A HA -0.138 4.134 4.320 -0.080 0.000 0.221 396 A C 2.214 179.876 177.584 0.131 0.000 1.161 396 A CA 1.783 53.914 52.037 0.156 0.000 0.653 396 A CB -0.945 18.105 19.000 0.083 0.000 0.802 396 A HN 0.660 nan 8.150 nan 0.000 0.457 397 A N -0.230 122.643 122.820 0.088 0.000 2.015 397 A HA 0.033 4.305 4.320 -0.080 0.000 0.219 397 A C 1.983 179.615 177.584 0.080 0.000 1.163 397 A CA 1.230 53.304 52.037 0.061 0.000 0.646 397 A CB -0.497 18.513 19.000 0.017 0.000 0.806 397 A HN 0.509 nan 8.150 nan 0.000 0.448 398 L N -0.862 120.415 121.223 0.089 0.000 2.275 398 L HA -0.072 4.220 4.340 -0.080 0.000 0.215 398 L C 1.732 178.598 176.870 -0.007 0.000 1.119 398 L CA 0.670 55.530 54.840 0.034 0.000 0.790 398 L CB -0.453 41.631 42.059 0.041 0.000 0.919 398 L HN 0.366 nan 8.230 nan 0.000 0.443 399 L N -1.533 119.704 121.223 0.024 0.000 2.607 399 L HA 0.071 4.363 4.340 -0.080 0.000 0.228 399 L C 0.730 177.593 176.870 -0.013 0.000 1.123 399 L CA -0.331 54.480 54.840 -0.048 0.000 0.890 399 L CB -0.447 41.552 42.059 -0.101 0.000 1.103 399 L HN 0.178 nan 8.230 nan 0.000 0.468 400 H N 0.619 119.657 119.070 -0.054 0.000 2.886 400 H HA 0.254 4.763 4.556 -0.078 0.000 0.329 400 H C -0.853 174.439 175.328 -0.060 0.000 1.044 400 H CA 0.154 56.170 56.048 -0.053 0.000 1.456 400 H CB 0.704 30.439 29.762 -0.045 0.000 1.464 400 H HN -0.228 nan 8.280 nan 0.000 0.573 401 V N 6.513 126.045 119.914 -0.636 0.000 2.483 401 V HA 0.157 4.229 4.120 -0.080 0.000 0.297 401 V C -0.360 175.339 176.094 -0.659 0.000 1.027 401 V CA -0.942 61.078 62.300 -0.466 0.000 0.855 401 V CB 1.429 33.115 31.823 -0.227 0.000 0.995 401 V HN 1.001 nan 8.190 nan 0.000 0.424 402 D N 5.753 125.918 120.400 -0.391 0.000 2.371 402 D HA 0.235 4.827 4.640 -0.080 0.000 0.242 402 D C -2.011 174.202 176.300 -0.145 0.000 1.218 402 D CA -2.075 51.799 54.000 -0.209 0.000 0.945 402 D CB 0.561 41.359 40.800 -0.004 0.000 1.137 402 D HN 0.210 nan 8.370 nan 0.000 0.464 403 P HA -0.082 nan 4.420 nan 0.000 0.225 403 P C 0.627 177.960 177.300 0.055 0.000 1.148 403 P CA 1.153 64.255 63.100 0.002 0.000 0.779 403 P CB 0.135 31.835 31.700 -0.000 0.000 0.780 404 Q N -1.607 118.197 119.800 0.006 0.000 2.403 404 Q HA 0.289 4.582 4.340 -0.080 0.000 0.203 404 Q C 1.397 177.391 176.000 -0.010 0.000 0.932 404 Q CA 0.766 56.571 55.803 0.003 0.000 0.945 404 Q CB -0.661 28.075 28.738 -0.003 0.000 1.045 404 Q HN 0.177 nan 8.270 nan 0.000 0.511 405 G N 0.629 109.416 108.800 -0.022 0.000 2.132 405 G HA2 -0.306 3.607 3.960 -0.080 0.000 0.234 405 G HA3 -0.306 3.607 3.960 -0.080 0.000 0.234 405 G C -0.254 174.616 174.900 -0.050 0.000 0.989 405 G CA -0.278 44.800 45.100 -0.036 0.000 0.676 405 G HN 0.243 nan 8.290 nan 0.000 0.522 406 R N 0.338 120.806 120.500 -0.055 0.000 2.312 406 R HA 0.664 4.957 4.340 -0.080 0.000 0.311 406 R C 0.553 176.812 176.300 -0.068 0.000 1.004 406 R CA 0.161 56.230 56.100 -0.051 0.000 0.902 406 R CB 1.433 31.713 30.300 -0.032 0.000 1.073 406 R HN 0.458 nan 8.270 nan 0.000 0.457 407 A N 3.242 126.022 122.820 -0.068 0.000 2.354 407 A HA 0.143 4.416 4.320 -0.080 0.000 0.269 407 A C 1.003 178.557 177.584 -0.050 0.000 1.109 407 A CA -0.547 51.445 52.037 -0.076 0.000 0.800 407 A CB 0.478 19.425 19.000 -0.088 0.000 1.045 407 A HN 0.982 nan 8.150 nan 0.000 0.489 408 L N 2.510 123.726 121.223 -0.012 0.000 2.056 408 L HA -0.085 4.208 4.340 -0.080 0.000 0.207 408 L C 2.122 178.942 176.870 -0.084 0.000 1.078 408 L CA 1.332 56.173 54.840 0.001 0.000 0.749 408 L CB -0.228 41.878 42.059 0.078 0.000 0.901 408 L HN 0.817 nan 8.230 nan 0.000 0.433 409 L N 1.054 122.198 121.223 -0.131 0.000 1.990 409 L HA -0.119 4.174 4.340 -0.080 0.000 0.213 409 L C -0.609 176.068 176.870 -0.322 0.000 1.072 409 L CA 2.210 56.895 54.840 -0.258 0.000 0.755 409 L CB -1.760 40.131 42.059 -0.279 0.000 0.889 409 L HN 0.194 nan 8.230 nan 0.000 0.432 410 P HA -0.147 nan 4.420 nan 0.000 0.218 410 P C 1.190 178.378 177.300 -0.186 0.000 1.149 410 P CA 1.274 64.242 63.100 -0.220 0.000 0.817 410 P CB -0.119 31.493 31.700 -0.147 0.000 0.785 411 E N -0.139 119.977 120.200 -0.140 0.000 2.077 411 E HA -0.139 4.164 4.350 -0.080 0.000 0.193 411 E C 2.073 178.608 176.600 -0.108 0.000 0.989 411 E CA 0.712 57.052 56.400 -0.099 0.000 0.800 411 E CB -1.111 28.553 29.700 -0.061 0.000 0.746 411 E HN 0.189 nan 8.360 nan 0.000 0.452 412 L N 1.124 122.261 121.223 -0.144 0.000 2.017 412 L HA -0.114 4.178 4.340 -0.080 0.000 0.208 412 L C 2.240 178.991 176.870 -0.198 0.000 1.073 412 L CA 1.387 56.156 54.840 -0.119 0.000 0.745 412 L CB -0.473 41.526 42.059 -0.100 0.000 0.894 412 L HN 0.047 nan 8.230 nan 0.000 0.432 413 I N -0.905 119.388 120.570 -0.461 0.000 2.179 413 I HA -0.323 3.799 4.170 -0.080 0.000 0.242 413 I C 2.580 178.585 176.117 -0.186 0.000 1.088 413 I CA 1.587 62.567 61.300 -0.533 0.000 1.357 413 I CB -0.470 37.105 38.000 -0.707 0.000 1.051 413 I HN 0.478 nan 8.210 nan 0.000 0.409 414 Q N 1.398 121.110 119.800 -0.147 0.000 2.077 414 Q HA -0.273 4.020 4.340 -0.080 0.000 0.206 414 Q C 2.316 178.299 176.000 -0.028 0.000 0.989 414 Q CA 2.300 58.061 55.803 -0.070 0.000 0.853 414 Q CB -0.163 28.537 28.738 -0.064 0.000 0.907 414 Q HN 0.542 nan 8.270 nan 0.000 0.418 415 A N 0.632 123.438 122.820 -0.024 0.000 1.978 415 A HA -0.202 4.070 4.320 -0.080 0.000 0.220 415 A C 2.190 179.800 177.584 0.044 0.000 1.170 415 A CA 1.932 53.975 52.037 0.010 0.000 0.636 415 A CB -0.778 18.231 19.000 0.014 0.000 0.810 415 A HN 0.649 nan 8.150 nan 0.000 0.448 416 S N -1.829 113.917 115.700 0.077 0.000 2.453 416 S HA 0.272 4.695 4.470 -0.080 0.000 0.231 416 S C 1.701 176.363 174.600 0.104 0.000 1.005 416 S CA 1.330 59.614 58.200 0.140 0.000 0.949 416 S CB -0.530 62.858 63.200 0.313 0.000 0.774 416 S HN 1.958 nan 8.310 nan 0.000 0.510 417 G N 0.668 109.509 108.800 0.069 0.000 2.205 417 G HA2 -0.238 3.674 3.960 -0.080 0.000 0.261 417 G HA3 -0.238 3.674 3.960 -0.080 0.000 0.261 417 G C -0.002 174.937 174.900 0.066 0.000 0.980 417 G CA 0.498 45.630 45.100 0.053 0.000 0.632 417 G HN 0.570 nan 8.290 nan 0.000 0.533 418 L N 2.006 123.293 121.223 0.108 0.000 2.379 418 L HA 0.427 4.720 4.340 -0.080 0.000 0.269 418 L C 0.722 177.653 176.870 0.100 0.000 1.084 418 L CA -0.954 53.959 54.840 0.122 0.000 0.802 418 L CB 0.663 42.840 42.059 0.197 0.000 1.175 418 L HN 0.359 nan 8.230 nan 0.000 0.448 419 D N 1.325 121.776 120.400 0.085 0.000 2.382 419 D HA 0.025 4.617 4.640 -0.080 0.000 0.240 419 D C 0.821 177.180 176.300 0.098 0.000 1.146 419 D CA -0.012 54.027 54.000 0.065 0.000 0.897 419 D CB 1.403 42.234 40.800 0.053 0.000 1.197 419 D HN 0.604 nan 8.370 nan 0.000 0.432 420 A N 2.435 125.287 122.820 0.054 0.000 1.892 420 A HA -0.140 4.132 4.320 -0.080 0.000 0.218 420 A C 2.185 179.856 177.584 0.144 0.000 1.188 420 A CA 2.426 54.501 52.037 0.063 0.000 0.631 420 A CB -1.493 17.508 19.000 0.001 0.000 0.822 420 A HN 0.763 nan 8.150 nan 0.000 0.447 421 G N -1.099 107.760 108.800 0.098 0.000 2.491 421 G HA2 -0.253 3.659 3.960 -0.080 0.000 0.218 421 G HA3 -0.253 3.659 3.960 -0.080 0.000 0.218 421 G C 1.602 176.568 174.900 0.110 0.000 1.180 421 G CA 1.836 46.988 45.100 0.087 0.000 0.774 421 G HN 0.457 nan 8.290 nan 0.000 0.562 422 T N -0.551 114.072 114.554 0.114 0.000 2.788 422 T HA -0.164 4.138 4.350 -0.080 0.000 0.268 422 T C 1.842 176.632 174.700 0.151 0.000 1.044 422 T CA 1.325 63.488 62.100 0.105 0.000 1.139 422 T CB -0.272 68.649 68.868 0.088 0.000 0.867 422 T HN 0.527 nan 8.240 nan 0.000 0.454 423 W N 1.407 122.725 121.300 0.030 0.000 2.355 423 W HA -0.003 4.610 4.660 -0.079 0.000 0.309 423 W C 1.779 178.353 176.519 0.091 0.000 1.206 423 W CA 0.783 58.156 57.345 0.046 0.000 1.284 423 W CB -0.358 29.116 29.460 0.024 0.000 1.145 423 W HN 0.132 nan 8.180 nan 0.000 0.502 424 L N 0.379 121.911 121.223 0.516 0.000 2.141 424 L HA -0.191 4.101 4.340 -0.080 0.000 0.209 424 L C 2.364 179.346 176.870 0.187 0.000 1.094 424 L CA 1.525 56.635 54.840 0.451 0.000 0.763 424 L CB -0.725 41.558 42.059 0.374 0.000 0.908 424 L HN 0.041 nan 8.230 nan 0.000 0.437 425 E N -0.487 119.761 120.200 0.081 0.000 2.077 425 E HA -0.186 4.116 4.350 -0.080 0.000 0.193 425 E C 2.352 178.938 176.600 -0.023 0.000 0.989 425 E CA 0.700 57.103 56.400 0.004 0.000 0.800 425 E CB 0.069 29.770 29.700 0.002 0.000 0.746 425 E HN 0.304 nan 8.360 nan 0.000 0.452 426 R N 0.195 120.660 120.500 -0.059 0.000 2.081 426 R HA -0.172 4.120 4.340 -0.080 0.000 0.235 426 R C 2.241 178.463 176.300 -0.130 0.000 1.131 426 R CA 1.345 57.369 56.100 -0.127 0.000 0.960 426 R CB -1.001 29.167 30.300 -0.220 0.000 0.856 426 R HN 0.413 nan 8.270 nan 0.000 0.436 427 Y N 1.276 121.390 120.300 -0.310 0.000 2.145 427 Y HA -0.225 4.276 4.550 -0.081 0.000 0.286 427 Y C 2.231 178.162 175.900 0.053 0.000 1.145 427 Y CA 1.489 59.457 58.100 -0.219 0.000 1.148 427 Y CB -0.207 38.083 38.460 -0.282 0.000 0.981 427 Y HN -0.235 nan 8.280 nan 0.000 0.507 428 V N 0.925 120.717 119.914 -0.202 0.000 2.332 428 V HA -0.306 3.766 4.120 -0.080 0.000 0.248 428 V C 1.870 177.905 176.094 -0.098 0.000 1.055 428 V CA 2.289 64.470 62.300 -0.197 0.000 1.038 428 V CB -0.629 31.120 31.823 -0.124 0.000 0.651 428 V HN 0.471 nan 8.190 nan 0.000 0.450 429 D N -0.099 120.273 120.400 -0.048 0.000 2.269 429 D HA -0.033 4.559 4.640 -0.080 0.000 0.208 429 D C 2.109 178.415 176.300 0.011 0.000 0.963 429 D CA 1.351 55.357 54.000 0.011 0.000 0.864 429 D CB 0.066 40.879 40.800 0.022 0.000 0.936 429 D HN 0.468 nan 8.370 nan 0.000 0.505 430 A N -0.472 122.339 122.820 -0.016 0.000 1.970 430 A HA -0.123 4.149 4.320 -0.080 0.000 0.216 430 A C 1.931 179.585 177.584 0.118 0.000 1.170 430 A CA 0.812 52.867 52.037 0.030 0.000 0.645 430 A CB -0.266 18.734 19.000 0.000 0.000 0.816 430 A HN 0.305 nan 8.150 nan 0.000 0.447 431 Y N -1.098 119.130 120.300 -0.120 0.000 2.439 431 Y HA 0.277 4.778 4.550 -0.081 0.000 0.281 431 Y C 1.761 177.593 175.900 -0.113 0.000 1.145 431 Y CA 0.880 58.915 58.100 -0.109 0.000 1.252 431 Y CB -0.455 37.849 38.460 -0.259 0.000 1.271 431 Y HN 0.125 nan 8.280 nan 0.000 0.516 432 L N 0.171 121.146 121.223 -0.414 0.000 2.068 432 L HA -0.004 4.288 4.340 -0.080 0.000 0.204 432 L C 2.051 178.747 176.870 -0.289 0.000 1.076 432 L CA 2.608 57.165 54.840 -0.472 0.000 0.753 432 L CB -1.126 40.834 42.059 -0.165 0.000 0.910 432 L HN 0.325 nan 8.230 nan 0.000 0.439 433 T N 0.824 115.296 114.554 -0.137 0.000 2.720 433 T HA -0.091 4.211 4.350 -0.080 0.000 0.268 433 T C -0.594 174.005 174.700 -0.168 0.000 1.037 433 T CA 1.865 63.908 62.100 -0.095 0.000 1.144 433 T CB -1.292 67.658 68.868 0.137 0.000 0.864 433 T HN 0.327 nan 8.240 nan 0.000 0.444 434 P HA 0.049 nan 4.420 nan 0.000 0.220 434 P C 1.423 178.477 177.300 -0.411 0.000 1.148 434 P CA 0.758 63.763 63.100 -0.158 0.000 0.803 434 P CB -0.260 31.169 31.700 -0.452 0.000 0.782 435 L N -1.438 119.521 121.223 -0.439 0.000 2.093 435 L HA -0.123 4.170 4.340 -0.080 0.000 0.208 435 L C 2.257 178.956 176.870 -0.285 0.000 1.085 435 L CA 1.036 55.686 54.840 -0.316 0.000 0.755 435 L CB -0.849 41.007 42.059 -0.337 0.000 0.904 435 L HN -0.071 nan 8.230 nan 0.000 0.435 436 I N -0.248 120.103 120.570 -0.364 0.000 2.179 436 I HA -0.309 3.813 4.170 -0.080 0.000 0.242 436 I C 2.564 178.447 176.117 -0.390 0.000 1.088 436 I CA 1.786 62.860 61.300 -0.376 0.000 1.357 436 I CB -1.368 36.394 38.000 -0.396 0.000 1.051 436 I HN 0.343 nan 8.210 nan 0.000 0.409 437 H N 0.538 119.138 119.070 -0.783 0.000 2.321 437 H HA -0.166 4.342 4.556 -0.080 0.000 0.300 437 H C 2.476 177.652 175.328 -0.252 0.000 1.087 437 H CA 2.405 58.015 56.048 -0.729 0.000 1.319 437 H CB -0.147 28.926 29.762 -1.149 0.000 1.379 437 H HN 0.272 nan 8.280 nan 0.000 0.501 438 C N -0.023 119.178 119.300 -0.165 0.000 2.413 438 C HA -0.125 4.287 4.460 -0.080 0.000 0.276 438 C C 2.646 177.553 174.990 -0.139 0.000 1.248 438 C CA 1.124 60.117 59.018 -0.041 0.000 1.742 438 C CB -1.540 26.259 27.740 0.098 0.000 2.017 438 C HN 0.676 nan 8.230 nan 0.000 0.481 439 F N 0.214 119.964 119.950 -0.333 0.000 2.051 439 F HA -0.160 4.320 4.527 -0.078 0.000 0.296 439 F C 2.244 177.807 175.800 -0.395 0.000 1.122 439 F CA 1.829 59.571 58.000 -0.430 0.000 1.201 439 F CB -0.644 37.986 39.000 -0.616 0.000 0.978 439 F HN 0.225 nan 8.300 nan 0.000 0.472 440 Y N 0.142 120.411 120.300 -0.052 0.000 2.200 440 Y HA -0.020 4.482 4.550 -0.080 0.000 0.290 440 Y C 2.528 178.259 175.900 -0.280 0.000 1.137 440 Y CA 1.209 59.270 58.100 -0.065 0.000 1.163 440 Y CB -1.267 37.361 38.460 0.281 0.000 0.988 440 Y HN 0.171 nan 8.280 nan 0.000 0.518 441 A N -1.486 121.131 122.820 -0.338 0.000 2.021 441 A HA -0.054 4.218 4.320 -0.080 0.000 0.216 441 A C 1.308 178.455 177.584 -0.727 0.000 1.163 441 A CA 1.371 53.040 52.037 -0.614 0.000 0.676 441 A CB -0.301 18.069 19.000 -1.049 0.000 0.818 441 A HN 0.508 nan 8.150 nan 0.000 0.453 442 H N -1.574 117.340 119.070 -0.259 0.000 3.398 442 H HA 0.108 4.616 4.556 -0.080 0.000 0.260 442 H C -0.523 174.657 175.328 -0.246 0.000 1.189 442 H CA 0.238 56.171 56.048 -0.191 0.000 1.145 442 H CB 0.604 30.289 29.762 -0.128 0.000 1.599 442 H HN 0.387 nan 8.280 nan 0.000 0.615 443 D N 0.688 120.892 120.400 -0.326 0.000 2.911 443 D HA -0.189 4.403 4.640 -0.080 0.000 0.227 443 D C 0.084 176.182 176.300 -0.337 0.000 1.164 443 D CA 0.382 54.089 54.000 -0.488 0.000 0.782 443 D CB -1.358 39.219 40.800 -0.371 0.000 1.094 443 D HN 0.234 nan 8.370 nan 0.000 0.425 444 L N 0.754 121.824 121.223 -0.256 0.000 2.264 444 L HA 0.466 4.759 4.340 -0.080 0.000 0.289 444 L C -0.189 176.441 176.870 -0.401 0.000 1.044 444 L CA -0.713 53.955 54.840 -0.288 0.000 0.807 444 L CB 1.675 43.607 42.059 -0.212 0.000 1.192 444 L HN -0.013 nan 8.230 nan 0.000 0.425 445 V N 1.758 121.392 119.914 -0.466 0.000 2.914 445 V HA 0.708 4.780 4.120 -0.080 0.000 0.314 445 V C -0.489 175.264 176.094 -0.568 0.000 1.084 445 V CA -0.645 61.416 62.300 -0.398 0.000 0.963 445 V CB 1.602 33.346 31.823 -0.131 0.000 1.025 445 V HN 0.687 nan 8.190 nan 0.000 0.432 446 F N 1.777 121.737 119.950 0.017 0.000 2.846 446 F HA 0.822 5.301 4.527 -0.080 0.000 0.388 446 F C 0.045 175.845 175.800 -0.000 0.000 1.259 446 F CA -1.079 56.937 58.000 0.027 0.000 1.118 446 F CB 1.486 40.529 39.000 0.072 0.000 1.512 446 F HN 0.587 nan 8.300 nan 0.000 0.502 447 M N 3.707 123.435 119.600 0.215 0.000 2.065 447 M HA 0.416 4.848 4.480 -0.080 0.000 0.308 447 M C -2.673 173.590 176.300 -0.061 0.000 0.939 447 M CA -2.446 52.882 55.300 0.046 0.000 0.890 447 M CB 0.893 33.481 32.600 -0.020 0.000 1.383 447 M HN 0.042 nan 8.290 nan 0.000 0.381 448 P HA 0.192 nan 4.420 nan 0.000 0.220 448 P C -0.922 176.463 177.300 0.140 0.000 1.793 448 P CA -0.084 63.081 63.100 0.108 0.000 0.917 448 P CB -0.955 30.845 31.700 0.168 0.000 1.755 449 H N -2.004 117.143 119.070 0.128 0.000 2.509 449 H HA 0.435 4.943 4.556 -0.080 0.000 0.360 449 H C 1.759 177.051 175.328 -0.061 0.000 1.398 449 H CA -0.166 55.924 56.048 0.071 0.000 1.429 449 H CB -0.712 29.130 29.762 0.135 0.000 1.611 449 H HN -0.039 nan 8.280 nan 0.000 0.606 450 G N -0.848 108.052 108.800 0.167 0.000 2.450 450 G HA2 -0.294 3.618 3.960 -0.080 0.000 0.220 450 G HA3 -0.294 3.618 3.960 -0.080 0.000 0.220 450 G C 1.291 176.266 174.900 0.125 0.000 1.130 450 G CA 0.884 46.007 45.100 0.040 0.000 0.760 450 G HN 0.757 nan 8.290 nan 0.000 0.557 451 E N 0.673 121.021 120.200 0.247 0.000 2.299 451 E HA -0.029 4.273 4.350 -0.080 0.000 0.193 451 E C 1.538 178.276 176.600 0.231 0.000 0.998 451 E CA 0.265 56.779 56.400 0.189 0.000 0.851 451 E CB -0.116 29.633 29.700 0.081 0.000 0.795 451 E HN 0.270 nan 8.360 nan 0.000 0.492 452 N N -0.088 118.775 118.700 0.271 0.000 2.422 452 N HA 0.022 4.714 4.740 -0.080 0.000 0.181 452 N C -0.283 175.242 175.510 0.025 0.000 1.080 452 N CA 0.182 53.259 53.050 0.045 0.000 0.893 452 N CB 0.954 39.344 38.487 -0.162 0.000 0.973 452 N HN -0.075 nan 8.380 nan 0.000 0.456 453 V N 1.936 121.874 119.914 0.040 0.000 2.417 453 V HA 0.423 4.495 4.120 -0.080 0.000 0.291 453 V C 0.012 176.118 176.094 0.020 0.000 1.024 453 V CA -0.707 61.605 62.300 0.020 0.000 0.861 453 V CB 2.065 33.874 31.823 -0.024 0.000 0.985 453 V HN -0.060 nan 8.190 nan 0.000 0.436 454 I N 5.739 126.330 120.570 0.034 0.000 2.362 454 I HA 0.420 4.542 4.170 -0.080 0.000 0.289 454 I C -0.445 175.615 176.117 -0.096 0.000 0.994 454 I CA -0.439 60.870 61.300 0.015 0.000 1.158 454 I CB 1.578 39.620 38.000 0.071 0.000 1.315 454 I HN 0.360 nan 8.210 nan 0.000 0.451 455 L N 6.584 127.756 121.223 -0.086 0.000 2.312 455 L HA 0.410 4.702 4.340 -0.080 0.000 0.281 455 L C -0.245 176.502 176.870 -0.206 0.000 1.070 455 L CA -0.871 53.894 54.840 -0.124 0.000 0.805 455 L CB 1.373 43.417 42.059 -0.026 0.000 1.174 455 L HN 0.281 nan 8.230 nan 0.000 0.434 456 V N 4.704 124.431 119.914 -0.311 0.000 2.385 456 V HA 0.271 4.343 4.120 -0.080 0.000 0.269 456 V C 0.316 176.318 176.094 -0.153 0.000 1.043 456 V CA -0.270 61.860 62.300 -0.283 0.000 0.906 456 V CB 1.087 32.667 31.823 -0.405 0.000 0.995 456 V HN 0.394 nan 8.190 nan 0.000 0.467 457 I N 5.011 125.527 120.570 -0.089 0.000 2.377 457 I HA 0.458 4.580 4.170 -0.080 0.000 0.293 457 I C -0.094 176.007 176.117 -0.026 0.000 0.987 457 I CA -0.407 60.871 61.300 -0.038 0.000 1.185 457 I CB 1.603 39.612 38.000 0.015 0.000 1.341 457 I HN 0.704 nan 8.210 nan 0.000 0.455 458 Q N 5.435 125.222 119.800 -0.022 0.000 2.320 458 Q HA 0.285 4.577 4.340 -0.080 0.000 0.268 458 Q C -1.018 174.991 176.000 0.015 0.000 1.023 458 Q CA -0.291 55.506 55.803 -0.010 0.000 0.744 458 Q CB 0.822 29.545 28.738 -0.026 0.000 1.246 458 Q HN 0.547 nan 8.270 nan 0.000 0.462 459 D N 3.946 124.362 120.400 0.027 0.000 2.697 459 D HA -0.231 4.362 4.640 -0.080 0.000 0.235 459 D C 0.703 177.051 176.300 0.080 0.000 1.167 459 D CA 1.685 55.711 54.000 0.044 0.000 0.656 459 D CB -1.253 39.567 40.800 0.035 0.000 1.025 459 D HN 1.113 nan 8.370 nan 0.000 0.419 460 G N -2.300 106.561 108.800 0.101 0.000 2.205 460 G HA2 -0.320 3.592 3.960 -0.080 0.000 0.261 460 G HA3 -0.320 3.592 3.960 -0.080 0.000 0.261 460 G C 0.365 175.455 174.900 0.317 0.000 0.980 460 G CA 0.329 45.545 45.100 0.194 0.000 0.632 460 G HN 0.657 nan 8.290 nan 0.000 0.533 461 V N 1.904 121.888 119.914 0.117 0.000 2.398 461 V HA 0.535 4.607 4.120 -0.080 0.000 0.286 461 V C -2.056 173.930 176.094 -0.180 0.000 1.026 461 V CA -1.924 60.321 62.300 -0.091 0.000 0.868 461 V CB 1.889 33.657 31.823 -0.091 0.000 0.982 461 V HN 0.097 nan 8.190 nan 0.000 0.443 462 P HA 0.150 nan 4.420 nan 0.000 0.276 462 P C 0.603 177.787 177.300 -0.194 0.000 1.253 462 P CA 0.020 62.979 63.100 -0.236 0.000 0.766 462 P CB 1.042 32.590 31.700 -0.253 0.000 0.845 463 V N 1.757 121.584 119.914 -0.145 0.000 3.431 463 V HA 0.314 4.386 4.120 -0.080 0.000 0.253 463 V C 0.664 176.690 176.094 -0.113 0.000 1.184 463 V CA 0.601 62.828 62.300 -0.121 0.000 1.104 463 V CB -0.911 30.853 31.823 -0.098 0.000 0.799 463 V HN 0.586 nan 8.190 nan 0.000 0.462 464 R N -0.206 120.208 120.500 -0.143 0.000 2.764 464 R HA 0.835 5.128 4.340 -0.080 0.000 0.276 464 R C -1.398 174.773 176.300 -0.216 0.000 1.021 464 R CA -0.269 55.753 56.100 -0.130 0.000 0.870 464 R CB 1.167 31.396 30.300 -0.119 0.000 1.293 464 R HN 0.415 nan 8.270 nan 0.000 0.469 465 A N 0.718 123.442 122.820 -0.160 0.000 2.475 465 A HA 0.794 5.067 4.320 -0.080 0.000 0.301 465 A C -1.504 175.948 177.584 -0.220 0.000 1.059 465 A CA -0.796 51.139 52.037 -0.170 0.000 0.710 465 A CB 1.253 20.339 19.000 0.143 0.000 1.288 465 A HN 0.490 nan 8.150 nan 0.000 0.408 466 F N 0.887 120.754 119.950 -0.138 0.000 2.480 466 F HA 0.632 5.112 4.527 -0.079 0.000 0.329 466 F C 0.175 175.821 175.800 -0.257 0.000 1.091 466 F CA -0.930 56.907 58.000 -0.270 0.000 0.972 466 F CB 2.345 41.245 39.000 -0.168 0.000 1.150 466 F HN 0.537 nan 8.300 nan 0.000 0.467 467 M N 5.350 124.823 119.600 -0.213 0.000 2.294 467 M HA 0.344 4.776 4.480 -0.080 0.000 0.335 467 M C -0.806 175.401 176.300 -0.155 0.000 1.079 467 M CA -0.367 54.800 55.300 -0.221 0.000 0.982 467 M CB 0.979 33.284 32.600 -0.493 0.000 1.651 467 M HN 0.610 nan 8.290 nan 0.000 0.437 468 K N 1.641 121.990 120.400 -0.084 0.000 2.331 468 K HA 0.658 4.931 4.320 -0.080 0.000 0.238 468 K C -0.984 175.594 176.600 -0.037 0.000 1.058 468 K CA -0.800 55.447 56.287 -0.066 0.000 0.871 468 K CB 0.825 33.273 32.500 -0.086 0.000 1.292 468 K HN 0.576 nan 8.250 nan 0.000 0.470 469 D N 0.194 120.581 120.400 -0.023 0.000 3.026 469 D HA -0.103 4.489 4.640 -0.080 0.000 0.248 469 D C 0.087 176.422 176.300 0.059 0.000 1.100 469 D CA 0.197 54.200 54.000 0.006 0.000 0.855 469 D CB -0.536 40.261 40.800 -0.005 0.000 1.011 469 D HN 0.584 nan 8.370 nan 0.000 0.423 470 I N 0.412 121.027 120.570 0.075 0.000 2.499 470 I HA 0.085 4.208 4.170 -0.080 0.000 0.243 470 I C 2.678 178.860 176.117 0.109 0.000 1.085 470 I CA 1.253 62.637 61.300 0.141 0.000 1.422 470 I CB -1.519 36.563 38.000 0.138 0.000 1.165 470 I HN 0.320 nan 8.210 nan 0.000 0.440 471 A N 0.164 123.024 122.820 0.065 0.000 2.014 471 A HA -0.176 4.096 4.320 -0.080 0.000 0.218 471 A C 2.274 179.871 177.584 0.021 0.000 1.163 471 A CA 1.400 53.448 52.037 0.019 0.000 0.652 471 A CB -0.542 18.454 19.000 -0.007 0.000 0.808 471 A HN 0.485 nan 8.150 nan 0.000 0.449 472 E N -0.628 119.629 120.200 0.094 0.000 2.112 472 E HA -0.125 4.177 4.350 -0.080 0.000 0.190 472 E C 1.345 178.019 176.600 0.123 0.000 0.979 472 E CA 1.027 57.536 56.400 0.181 0.000 0.814 472 E CB 0.117 29.899 29.700 0.137 0.000 0.762 472 E HN 0.565 nan 8.360 nan 0.000 0.460 473 E N -0.140 120.110 120.200 0.083 0.000 2.413 473 E HA 0.123 4.425 4.350 -0.080 0.000 0.203 473 E C 0.276 176.911 176.600 0.058 0.000 0.957 473 E CA 0.049 56.492 56.400 0.072 0.000 0.950 473 E CB 0.900 30.643 29.700 0.072 0.000 0.957 473 E HN -0.054 nan 8.360 nan 0.000 0.497 474 S N 0.883 116.614 115.700 0.051 0.000 2.610 474 S HA 0.487 4.909 4.470 -0.080 0.000 0.273 474 S C 0.066 174.619 174.600 -0.079 0.000 1.274 474 S CA -0.409 57.773 58.200 -0.030 0.000 1.023 474 S CB 1.486 64.683 63.200 -0.005 0.000 0.962 474 S HN -0.082 nan 8.310 nan 0.000 0.523 475 S N 1.033 116.647 115.700 -0.143 0.000 2.549 475 S HA 0.522 4.944 4.470 -0.080 0.000 0.280 475 S C -0.855 173.648 174.600 -0.162 0.000 1.109 475 S CA -0.650 57.476 58.200 -0.124 0.000 0.905 475 S CB 1.002 64.149 63.200 -0.087 0.000 1.081 475 S HN 0.573 nan 8.310 nan 0.000 0.477 476 I N 2.625 123.116 120.570 -0.133 0.000 2.312 476 I HA 0.265 4.387 4.170 -0.080 0.000 0.290 476 I C -0.413 175.625 176.117 -0.131 0.000 1.008 476 I CA -0.421 60.799 61.300 -0.133 0.000 1.226 476 I CB 0.846 38.791 38.000 -0.092 0.000 1.371 476 I HN 0.455 nan 8.210 nan 0.000 0.468 477 L N 6.799 127.921 121.223 -0.169 0.000 2.727 477 L HA 0.258 4.551 4.340 -0.080 0.000 0.237 477 L C -0.068 176.712 176.870 -0.149 0.000 1.370 477 L CA 0.064 54.808 54.840 -0.160 0.000 1.248 477 L CB -0.927 41.004 42.059 -0.212 0.000 1.556 477 L HN 0.570 nan 8.230 nan 0.000 0.420 478 N N 0.710 119.346 118.700 -0.106 0.000 3.049 478 N HA 0.186 4.878 4.740 -0.080 0.000 0.241 478 N C -2.346 173.127 175.510 -0.062 0.000 1.323 478 N CA -1.064 51.938 53.050 -0.080 0.000 0.824 478 N CB 1.692 40.128 38.487 -0.084 0.000 1.557 478 N HN -0.209 nan 8.380 nan 0.000 0.612 479 P HA -0.031 nan 4.420 nan 0.000 0.228 479 P C 0.672 177.949 177.300 -0.039 0.000 1.151 479 P CA 0.936 64.011 63.100 -0.042 0.000 0.770 479 P CB 0.508 32.191 31.700 -0.028 0.000 0.786 480 Q N -1.021 118.758 119.800 -0.034 0.000 2.435 480 Q HA 0.037 4.330 4.340 -0.080 0.000 0.207 480 Q C 0.670 176.655 176.000 -0.026 0.000 0.956 480 Q CA 0.093 55.881 55.803 -0.025 0.000 0.917 480 Q CB -0.734 27.994 28.738 -0.018 0.000 0.997 480 Q HN 0.124 nan 8.270 nan 0.000 0.497 481 V N 1.963 121.854 119.914 -0.038 0.000 2.673 481 V HA 0.002 4.075 4.120 -0.080 0.000 0.303 481 V C -0.093 175.964 176.094 -0.062 0.000 1.046 481 V CA -0.132 62.146 62.300 -0.037 0.000 1.126 481 V CB 0.560 32.349 31.823 -0.057 0.000 0.934 481 V HN 0.192 nan 8.190 nan 0.000 0.487 482 R N 7.249 127.730 120.500 -0.033 0.000 2.205 482 R HA 0.474 4.766 4.340 -0.080 0.000 0.342 482 R C -0.851 175.391 176.300 -0.097 0.000 1.058 482 R CA -0.122 55.954 56.100 -0.040 0.000 0.904 482 R CB 0.516 30.822 30.300 0.010 0.000 1.089 482 R HN 0.646 nan 8.270 nan 0.000 0.471 483 L N 4.130 125.253 121.223 -0.167 0.000 2.342 483 L HA 0.511 4.803 4.340 -0.080 0.000 0.271 483 L C -1.904 174.887 176.870 -0.131 0.000 1.008 483 L CA -2.282 52.393 54.840 -0.275 0.000 0.818 483 L CB 1.701 43.535 42.059 -0.376 0.000 1.296 483 L HN 0.246 nan 8.230 nan 0.000 0.427 484 P HA -0.017 nan 4.420 nan 0.000 0.266 484 P C 0.162 177.429 177.300 -0.055 0.000 1.193 484 P CA -0.075 63.004 63.100 -0.036 0.000 0.770 484 P CB 0.586 32.286 31.700 0.000 0.000 0.836 485 Q N 2.239 122.021 119.800 -0.031 0.000 2.112 485 Q HA -0.253 4.039 4.340 -0.080 0.000 0.206 485 Q C 1.815 177.795 176.000 -0.034 0.000 0.987 485 Q CA 2.019 57.805 55.803 -0.028 0.000 0.858 485 Q CB -0.494 28.238 28.738 -0.010 0.000 0.905 485 Q HN 0.595 nan 8.270 nan 0.000 0.420 486 A N 0.015 122.818 122.820 -0.027 0.000 2.070 486 A HA -0.031 4.241 4.320 -0.080 0.000 0.220 486 A C 1.893 179.434 177.584 -0.072 0.000 1.159 486 A CA 1.506 53.523 52.037 -0.034 0.000 0.656 486 A CB -0.417 18.575 19.000 -0.014 0.000 0.800 486 A HN 0.481 nan 8.150 nan 0.000 0.453 487 A N -1.481 121.287 122.820 -0.087 0.000 2.387 487 A HA 0.310 4.583 4.320 -0.080 0.000 0.234 487 A C 1.647 179.136 177.584 -0.158 0.000 1.253 487 A CA 0.785 52.747 52.037 -0.125 0.000 0.894 487 A CB -0.140 18.785 19.000 -0.124 0.000 0.963 487 A HN 0.395 nan 8.150 nan 0.000 0.508 488 Q N 1.732 121.457 119.800 -0.125 0.000 2.181 488 Q HA -0.209 4.083 4.340 -0.080 0.000 0.205 488 Q C 2.008 177.942 176.000 -0.111 0.000 0.980 488 Q CA 2.234 57.968 55.803 -0.114 0.000 0.862 488 Q CB -0.476 28.221 28.738 -0.069 0.000 0.905 488 Q HN 0.779 nan 8.270 nan 0.000 0.429 489 R N -0.499 119.931 120.500 -0.117 0.000 2.285 489 R HA -0.079 4.214 4.340 -0.080 0.000 0.213 489 R C 1.818 178.033 176.300 -0.142 0.000 1.068 489 R CA 1.001 57.030 56.100 -0.119 0.000 1.004 489 R CB -0.620 29.581 30.300 -0.164 0.000 0.873 489 R HN 0.281 nan 8.270 nan 0.000 0.467 490 L N 1.524 122.653 121.223 -0.157 0.000 2.042 490 L HA 0.032 4.324 4.340 -0.080 0.000 0.210 490 L C 0.837 177.633 176.870 -0.124 0.000 1.076 490 L CA 1.539 56.294 54.840 -0.142 0.000 0.749 490 L CB -0.721 41.246 42.059 -0.154 0.000 0.893 490 L HN 0.307 nan 8.230 nan 0.000 0.432 491 A N -0.280 122.463 122.820 -0.127 0.000 2.488 491 A HA 0.572 4.845 4.320 -0.080 0.000 0.249 491 A C 0.163 177.703 177.584 -0.073 0.000 1.083 491 A CA 0.315 52.289 52.037 -0.105 0.000 0.768 491 A CB -0.425 18.512 19.000 -0.105 0.000 1.017 491 A HN 0.600 nan 8.150 nan 0.000 0.496 492 A N 2.658 125.439 122.820 -0.066 0.000 2.527 492 A HA 0.792 5.065 4.320 -0.080 0.000 0.293 492 A C -1.653 175.910 177.584 -0.035 0.000 1.117 492 A CA -0.608 51.405 52.037 -0.040 0.000 0.723 492 A CB 1.441 20.421 19.000 -0.032 0.000 1.313 492 A HN 0.891 nan 8.150 nan 0.000 0.411 493 D N 0.390 120.784 120.400 -0.011 0.000 2.575 493 D HA 0.488 5.081 4.640 -0.080 0.000 0.250 493 D C -1.109 175.207 176.300 0.027 0.000 1.279 493 D CA -0.337 53.663 54.000 -0.002 0.000 0.925 493 D CB 1.022 41.822 40.800 0.001 0.000 1.261 493 D HN 0.255 nan 8.370 nan 0.000 0.567 494 V N 2.497 122.431 119.914 0.034 0.000 2.581 494 V HA 0.497 4.570 4.120 -0.080 0.000 0.303 494 V C -2.037 174.110 176.094 0.088 0.000 1.041 494 V CA -1.796 60.553 62.300 0.083 0.000 0.907 494 V CB 1.862 33.739 31.823 0.090 0.000 0.994 494 V HN 0.442 nan 8.190 nan 0.000 0.442 495 P HA 0.042 nan 4.420 nan 0.000 0.266 495 P C 0.850 178.131 177.300 -0.031 0.000 1.186 495 P CA 0.177 63.289 63.100 0.019 0.000 0.767 495 P CB 0.553 32.237 31.700 -0.026 0.000 0.820 496 E N 1.604 121.798 120.200 -0.009 0.000 2.118 496 E HA -0.214 4.089 4.350 -0.080 0.000 0.195 496 E C 1.784 178.422 176.600 0.062 0.000 0.992 496 E CA 1.532 58.014 56.400 0.136 0.000 0.804 496 E CB -0.284 29.488 29.700 0.120 0.000 0.741 496 E HN 0.515 nan 8.360 nan 0.000 0.458 497 A N 0.285 122.955 122.820 -0.249 0.000 2.121 497 A HA -0.132 4.140 4.320 -0.080 0.000 0.218 497 A C 1.174 178.635 177.584 -0.206 0.000 1.154 497 A CA 0.913 52.752 52.037 -0.329 0.000 0.679 497 A CB -0.432 18.212 19.000 -0.592 0.000 0.795 497 A HN 0.342 nan 8.150 nan 0.000 0.458 498 Y N -1.702 118.673 120.300 0.124 0.000 2.557 498 Y HA 0.208 4.710 4.550 -0.080 0.000 0.247 498 Y C 1.804 177.742 175.900 0.064 0.000 1.164 498 Y CA -0.628 57.525 58.100 0.090 0.000 1.218 498 Y CB 0.478 38.975 38.460 0.062 0.000 1.210 498 Y HN 0.025 nan 8.280 nan 0.000 0.529 499 K N 0.925 121.414 120.400 0.149 0.000 2.097 499 K HA -0.070 4.202 4.320 -0.080 0.000 0.206 499 K C 1.265 177.862 176.600 -0.006 0.000 1.049 499 K CA 1.089 57.416 56.287 0.067 0.000 0.933 499 K CB -0.136 32.282 32.500 -0.137 0.000 0.717 499 K HN 0.454 nan 8.250 nan 0.000 0.442 500 L N 1.412 122.551 121.223 -0.139 0.000 2.627 500 L HA 0.038 4.331 4.340 -0.080 0.000 0.232 500 L C 2.024 178.737 176.870 -0.263 0.000 1.150 500 L CA -0.233 54.317 54.840 -0.484 0.000 0.917 500 L CB -0.233 41.485 42.059 -0.569 0.000 1.104 500 L HN 0.106 nan 8.230 nan 0.000 0.445 501 L N -0.161 121.042 121.223 -0.033 0.000 2.021 501 L HA -0.332 3.960 4.340 -0.080 0.000 0.215 501 L C 2.644 179.499 176.870 -0.024 0.000 1.074 501 L CA 2.146 57.013 54.840 0.046 0.000 0.760 501 L CB -0.238 41.870 42.059 0.082 0.000 0.889 501 L HN 0.301 nan 8.230 nan 0.000 0.433 502 T N -0.849 113.650 114.554 -0.091 0.000 2.759 502 T HA -0.170 4.132 4.350 -0.080 0.000 0.269 502 T C 1.770 176.367 174.700 -0.172 0.000 1.042 502 T CA 1.658 63.706 62.100 -0.086 0.000 1.140 502 T CB -0.079 68.740 68.868 -0.081 0.000 0.864 502 T HN 0.226 nan 8.240 nan 0.000 0.455 503 I N -0.462 119.881 120.570 -0.378 0.000 2.270 503 I HA 0.076 4.198 4.170 -0.080 0.000 0.239 503 I C 2.193 177.980 176.117 -0.549 0.000 1.080 503 I CA 1.115 62.074 61.300 -0.568 0.000 1.383 503 I CB -1.544 35.915 38.000 -0.902 0.000 1.097 503 I HN 0.319 nan 8.210 nan 0.000 0.420 504 F N 0.857 120.535 119.950 -0.453 0.000 2.102 504 F HA -0.196 4.283 4.527 -0.080 0.000 0.298 504 F C 2.611 178.401 175.800 -0.017 0.000 1.105 504 F CA 1.019 58.830 58.000 -0.316 0.000 1.239 504 F CB -0.270 38.631 39.000 -0.166 0.000 0.991 504 F HN -0.171 nan 8.300 nan 0.000 0.474 505 V N -0.438 119.603 119.914 0.211 0.000 2.331 505 V HA -0.195 3.877 4.120 -0.080 0.000 0.242 505 V C 1.677 177.909 176.094 0.231 0.000 1.034 505 V CA 1.766 64.202 62.300 0.226 0.000 1.027 505 V CB -0.420 31.511 31.823 0.180 0.000 0.667 505 V HN 0.215 nan 8.190 nan 0.000 0.457 506 D N -0.063 120.441 120.400 0.172 0.000 2.162 506 D HA -0.066 4.527 4.640 -0.080 0.000 0.203 506 D C 2.037 178.473 176.300 0.226 0.000 0.967 506 D CA 1.130 55.258 54.000 0.213 0.000 0.840 506 D CB 0.056 40.955 40.800 0.165 0.000 0.972 506 D HN 0.337 nan 8.370 nan 0.000 0.482 507 V N 0.648 120.638 119.914 0.127 0.000 2.326 507 V HA -0.097 3.975 4.120 -0.080 0.000 0.238 507 V C 2.190 178.444 176.094 0.267 0.000 1.038 507 V CA 0.818 63.167 62.300 0.081 0.000 1.032 507 V CB -0.525 31.193 31.823 -0.175 0.000 0.675 507 V HN -0.042 nan 8.190 nan 0.000 0.467 508 F N 1.014 121.052 119.950 0.147 0.000 2.051 508 F HA -0.093 4.389 4.527 -0.075 0.000 0.296 508 F C 2.599 178.634 175.800 0.391 0.000 1.122 508 F CA 1.811 60.077 58.000 0.443 0.000 1.201 508 F CB -0.871 38.411 39.000 0.470 0.000 0.978 508 F HN 0.245 nan 8.300 nan 0.000 0.472 509 E N -0.413 120.084 120.200 0.495 0.000 2.112 509 E HA -0.048 4.255 4.350 -0.080 0.000 0.190 509 E C 2.435 179.186 176.600 0.252 0.000 0.979 509 E CA 0.887 57.482 56.400 0.324 0.000 0.814 509 E CB -0.407 29.496 29.700 0.338 0.000 0.762 509 E HN 0.359 nan 8.360 nan 0.000 0.460 510 G N -0.929 108.075 108.800 0.339 0.000 2.494 510 G HA2 -0.178 3.734 3.960 -0.080 0.000 0.216 510 G HA3 -0.178 3.734 3.960 -0.080 0.000 0.216 510 G C 0.986 176.174 174.900 0.481 0.000 1.140 510 G CA 0.573 45.915 45.100 0.404 0.000 0.801 510 G HN 0.314 nan 8.290 nan 0.000 0.536 511 Y N -1.311 119.175 120.300 0.310 0.000 2.817 511 Y HA 0.340 4.844 4.550 -0.076 0.000 0.257 511 Y C 2.146 178.281 175.900 0.391 0.000 1.055 511 Y CA -0.218 58.076 58.100 0.323 0.000 1.319 511 Y CB 0.129 38.739 38.460 0.251 0.000 1.481 511 Y HN 0.020 nan 8.280 nan 0.000 0.471 512 F N 1.530 121.713 119.950 0.387 0.000 2.202 512 F HA -0.138 4.342 4.527 -0.078 0.000 0.301 512 F C 2.544 178.297 175.800 -0.078 0.000 1.082 512 F CA 1.616 59.714 58.000 0.163 0.000 1.313 512 F CB -1.017 38.186 39.000 0.339 0.000 1.024 512 F HN 0.111 nan 8.300 nan 0.000 0.495 513 R N -0.426 120.166 120.500 0.154 0.000 2.103 513 R HA -0.189 4.103 4.340 -0.080 0.000 0.242 513 R C 2.217 178.145 176.300 -0.620 0.000 1.142 513 R CA 1.787 57.739 56.100 -0.246 0.000 0.960 513 R CB -0.318 29.730 30.300 -0.420 0.000 0.858 513 R HN 0.307 nan 8.270 nan 0.000 0.439 514 H N -0.393 118.497 119.070 -0.300 0.000 2.436 514 H HA -0.075 4.434 4.556 -0.078 0.000 0.294 514 H C 2.028 177.158 175.328 -0.330 0.000 1.048 514 H CA 1.064 56.917 56.048 -0.326 0.000 1.353 514 H CB -0.099 29.505 29.762 -0.263 0.000 1.414 514 H HN 0.185 nan 8.280 nan 0.000 0.536 515 L N 1.546 122.598 121.223 -0.285 0.000 2.042 515 L HA -0.164 4.128 4.340 -0.080 0.000 0.210 515 L C 2.598 179.213 176.870 -0.425 0.000 1.076 515 L CA 2.187 56.814 54.840 -0.356 0.000 0.749 515 L CB -0.804 41.062 42.059 -0.321 0.000 0.893 515 L HN 0.353 nan 8.230 nan 0.000 0.432 516 T N -3.658 110.593 114.554 -0.504 0.000 2.951 516 T HA -0.228 4.074 4.350 -0.080 0.000 0.268 516 T C 1.794 176.356 174.700 -0.229 0.000 1.073 516 T CA 1.247 63.062 62.100 -0.474 0.000 1.134 516 T CB -0.453 68.159 68.868 -0.428 0.000 0.884 516 T HN 0.539 nan 8.240 nan 0.000 0.479 517 Q N 0.338 120.040 119.800 -0.163 0.000 2.096 517 Q HA -0.106 4.186 4.340 -0.080 0.000 0.204 517 Q C 2.177 178.146 176.000 -0.052 0.000 0.982 517 Q CA 1.541 57.326 55.803 -0.031 0.000 0.850 517 Q CB -0.208 28.584 28.738 0.089 0.000 0.901 517 Q HN 0.493 nan 8.270 nan 0.000 0.422 518 I N 0.752 121.257 120.570 -0.108 0.000 2.179 518 I HA -0.273 3.850 4.170 -0.080 0.000 0.242 518 I C 2.369 178.410 176.117 -0.127 0.000 1.088 518 I CA 1.159 62.392 61.300 -0.112 0.000 1.357 518 I CB -1.156 36.758 38.000 -0.144 0.000 1.051 518 I HN 0.359 nan 8.210 nan 0.000 0.409 519 L N 0.041 121.156 121.223 -0.180 0.000 2.042 519 L HA -0.213 4.079 4.340 -0.080 0.000 0.210 519 L C 2.631 179.440 176.870 -0.102 0.000 1.076 519 L CA 1.019 55.758 54.840 -0.169 0.000 0.749 519 L CB -0.638 41.276 42.059 -0.242 0.000 0.893 519 L HN 0.055 nan 8.230 nan 0.000 0.432 520 V N -0.632 119.235 119.914 -0.079 0.000 2.346 520 V HA -0.213 3.859 4.120 -0.080 0.000 0.244 520 V C 2.315 178.406 176.094 -0.006 0.000 1.037 520 V CA 1.504 63.786 62.300 -0.031 0.000 1.029 520 V CB -0.329 31.485 31.823 -0.015 0.000 0.663 520 V HN 0.378 nan 8.190 nan 0.000 0.454 521 E N 0.448 120.649 120.200 0.002 0.000 2.118 521 E HA -0.211 4.091 4.350 -0.080 0.000 0.195 521 E C 2.089 178.687 176.600 -0.004 0.000 0.992 521 E CA 1.909 58.323 56.400 0.023 0.000 0.804 521 E CB -0.145 29.569 29.700 0.024 0.000 0.741 521 E HN 0.782 nan 8.360 nan 0.000 0.458 522 T N -2.494 112.039 114.554 -0.036 0.000 3.144 522 T HA 0.098 4.400 4.350 -0.080 0.000 0.249 522 T C 0.226 174.899 174.700 -0.045 0.000 1.089 522 T CA 0.313 62.384 62.100 -0.049 0.000 0.989 522 T CB -0.078 68.742 68.868 -0.080 0.000 0.992 522 T HN 0.195 nan 8.240 nan 0.000 0.540 523 E N -0.179 120.002 120.200 -0.032 0.000 2.971 523 E HA -0.192 4.111 4.350 -0.080 0.000 0.278 523 E C 0.785 177.364 176.600 -0.035 0.000 1.009 523 E CA 0.555 56.942 56.400 -0.023 0.000 0.862 523 E CB -2.110 27.582 29.700 -0.013 0.000 1.436 523 E HN 0.524 nan 8.360 nan 0.000 0.434 524 L N -0.840 120.349 121.223 -0.057 0.000 2.072 524 L HA 0.105 4.398 4.340 -0.080 0.000 0.205 524 L C 1.211 178.059 176.870 -0.036 0.000 1.079 524 L CA 1.298 56.099 54.840 -0.065 0.000 0.752 524 L CB 0.137 42.129 42.059 -0.113 0.000 0.906 524 L HN 0.286 nan 8.230 nan 0.000 0.436 525 M N -0.925 118.656 119.600 -0.031 0.000 2.389 525 M HA 0.359 4.791 4.480 -0.080 0.000 0.291 525 M C -2.825 173.477 176.300 0.004 0.000 1.128 525 M CA -1.445 53.854 55.300 -0.002 0.000 0.942 525 M CB 2.234 34.841 32.600 0.012 0.000 1.783 525 M HN -0.349 nan 8.290 nan 0.000 0.501 526 P HA 0.160 nan 4.420 nan 0.000 0.272 526 P C -0.358 177.000 177.300 0.098 0.000 1.223 526 P CA -0.023 63.115 63.100 0.064 0.000 0.784 526 P CB 0.381 32.136 31.700 0.093 0.000 0.923 527 E N 1.185 121.454 120.200 0.116 0.000 2.118 527 E HA -0.331 3.972 4.350 -0.080 0.000 0.195 527 E C 1.575 178.392 176.600 0.362 0.000 0.992 527 E CA 1.221 57.730 56.400 0.181 0.000 0.804 527 E CB -0.705 29.130 29.700 0.225 0.000 0.741 527 E HN 0.533 nan 8.360 nan 0.000 0.458 528 H N 0.723 119.953 119.070 0.266 0.000 2.389 528 H HA -0.094 4.417 4.556 -0.075 0.000 0.299 528 H C 1.069 176.565 175.328 0.280 0.000 1.081 528 H CA 1.702 57.955 56.048 0.342 0.000 1.345 528 H CB 0.231 30.148 29.762 0.258 0.000 1.393 528 H HN 0.221 nan 8.280 nan 0.000 0.520 529 D N 0.113 120.625 120.400 0.187 0.000 2.144 529 D HA -0.152 4.440 4.640 -0.080 0.000 0.199 529 D C 1.963 178.235 176.300 -0.048 0.000 0.984 529 D CA 0.708 54.740 54.000 0.053 0.000 0.834 529 D CB -0.633 40.212 40.800 0.074 0.000 0.955 529 D HN 0.338 nan 8.370 nan 0.000 0.465 530 F N -0.492 119.345 119.950 -0.188 0.000 2.102 530 F HA -0.131 4.348 4.527 -0.081 0.000 0.298 530 F C 1.864 177.384 175.800 -0.467 0.000 1.105 530 F CA 1.386 59.157 58.000 -0.382 0.000 1.239 530 F CB -0.469 38.195 39.000 -0.560 0.000 0.991 530 F HN -0.016 nan 8.300 nan 0.000 0.474 531 W N 0.567 121.783 121.300 -0.140 0.000 2.402 531 W HA -0.040 4.565 4.660 -0.091 0.000 0.286 531 W C 2.753 178.904 176.519 -0.613 0.000 1.221 531 W CA 1.057 58.243 57.345 -0.266 0.000 1.257 531 W CB -0.411 29.090 29.460 0.068 0.000 1.120 531 W HN -0.101 nan 8.180 nan 0.000 0.551 532 R N 0.906 121.004 120.500 -0.671 0.000 2.081 532 R HA -0.185 4.107 4.340 -0.080 0.000 0.235 532 R C 2.132 178.042 176.300 -0.649 0.000 1.131 532 R CA 1.624 57.000 56.100 -1.208 0.000 0.960 532 R CB -0.731 29.131 30.300 -0.730 0.000 0.856 532 R HN 0.302 nan 8.270 nan 0.000 0.436 533 L N 0.482 121.423 121.223 -0.470 0.000 2.017 533 L HA -0.152 4.140 4.340 -0.080 0.000 0.208 533 L C 2.143 178.793 176.870 -0.366 0.000 1.073 533 L CA 1.224 55.846 54.840 -0.364 0.000 0.745 533 L CB -0.203 41.642 42.059 -0.356 0.000 0.894 533 L HN 0.048 nan 8.230 nan 0.000 0.432 534 V N 0.406 120.001 119.914 -0.533 0.000 2.287 534 V HA -0.327 3.745 4.120 -0.080 0.000 0.248 534 V C 2.851 178.892 176.094 -0.088 0.000 1.053 534 V CA 1.823 63.906 62.300 -0.363 0.000 1.027 534 V CB -1.109 30.423 31.823 -0.484 0.000 0.646 534 V HN 0.626 nan 8.190 nan 0.000 0.447 535 A N 0.383 123.156 122.820 -0.079 0.000 1.908 535 A HA -0.129 4.143 4.320 -0.080 0.000 0.218 535 A C 2.424 180.101 177.584 0.155 0.000 1.181 535 A CA 2.048 54.172 52.037 0.144 0.000 0.627 535 A CB -1.278 17.799 19.000 0.127 0.000 0.818 535 A HN 0.549 nan 8.150 nan 0.000 0.445 536 G N -0.556 108.225 108.800 -0.032 0.000 2.440 536 G HA2 -0.238 3.674 3.960 -0.080 0.000 0.218 536 G HA3 -0.238 3.674 3.960 -0.080 0.000 0.218 536 G C 1.692 176.640 174.900 0.080 0.000 1.154 536 G CA 0.837 45.942 45.100 0.010 0.000 0.767 536 G HN 0.431 nan 8.290 nan 0.000 0.552 537 R N 0.251 120.781 120.500 0.050 0.000 2.075 537 R HA 0.065 4.357 4.340 -0.080 0.000 0.232 537 R C 2.604 179.010 176.300 0.177 0.000 1.126 537 R CA 0.730 56.888 56.100 0.096 0.000 0.963 537 R CB -0.886 29.439 30.300 0.041 0.000 0.858 537 R HN 0.452 nan 8.270 nan 0.000 0.435 538 I N 0.842 121.525 120.570 0.188 0.000 2.142 538 I HA -0.264 3.859 4.170 -0.080 0.000 0.240 538 I C 2.586 178.914 176.117 0.353 0.000 1.078 538 I CA 1.508 62.956 61.300 0.248 0.000 1.343 538 I CB -0.535 37.586 38.000 0.202 0.000 1.046 538 I HN 0.098 nan 8.210 nan 0.000 0.405 539 A N 0.695 123.757 122.820 0.405 0.000 1.933 539 A HA -0.166 4.106 4.320 -0.080 0.000 0.218 539 A C 2.522 180.342 177.584 0.393 0.000 1.175 539 A CA 1.908 54.209 52.037 0.441 0.000 0.628 539 A CB -0.825 18.336 19.000 0.267 0.000 0.814 539 A HN 0.455 nan 8.150 nan 0.000 0.444 540 A N -1.542 121.439 122.820 0.269 0.000 1.930 540 A HA -0.080 4.193 4.320 -0.080 0.000 0.217 540 A C 2.126 179.819 177.584 0.180 0.000 1.175 540 A CA 1.601 53.755 52.037 0.194 0.000 0.627 540 A CB -0.779 18.319 19.000 0.164 0.000 0.815 540 A HN 0.755 nan 8.150 nan 0.000 0.443 541 Y N 0.564 120.948 120.300 0.139 0.000 2.145 541 Y HA -0.249 4.253 4.550 -0.080 0.000 0.286 541 Y C 2.517 178.471 175.900 0.090 0.000 1.145 541 Y CA 2.350 60.532 58.100 0.137 0.000 1.148 541 Y CB -0.401 38.086 38.460 0.046 0.000 0.981 541 Y HN 0.417 nan 8.280 nan 0.000 0.507 542 Q N -0.179 119.590 119.800 -0.051 0.000 2.084 542 Q HA -0.269 4.024 4.340 -0.080 0.000 0.202 542 Q C 2.362 178.163 176.000 -0.332 0.000 0.978 542 Q CA 1.617 57.202 55.803 -0.363 0.000 0.844 542 Q CB -0.375 28.156 28.738 -0.346 0.000 0.898 542 Q HN 0.562 nan 8.270 nan 0.000 0.426 543 Q N 0.883 120.486 119.800 -0.327 0.000 2.135 543 Q HA -0.172 4.120 4.340 -0.080 0.000 0.204 543 Q C 1.721 177.526 176.000 -0.325 0.000 0.981 543 Q CA 1.846 57.362 55.803 -0.478 0.000 0.856 543 Q CB -0.146 28.430 28.738 -0.269 0.000 0.902 543 Q HN 0.344 nan 8.270 nan 0.000 0.425 544 A N -0.158 122.507 122.820 -0.259 0.000 2.119 544 A HA -0.072 4.200 4.320 -0.080 0.000 0.216 544 A C 0.067 177.255 177.584 -0.660 0.000 1.152 544 A CA 0.767 52.584 52.037 -0.365 0.000 0.708 544 A CB -0.242 18.595 19.000 -0.271 0.000 0.805 544 A HN 0.522 nan 8.150 nan 0.000 0.460 545 H N -1.256 117.613 119.070 -0.335 0.000 2.439 545 H HA 0.227 4.735 4.556 -0.080 0.000 0.230 545 H C -2.116 173.132 175.328 -0.133 0.000 1.420 545 H CA -1.370 54.529 56.048 -0.248 0.000 1.305 545 H CB 0.587 30.127 29.762 -0.370 0.000 1.667 545 H HN 0.252 nan 8.280 nan 0.000 0.515 546 P HA -0.158 nan 4.420 nan 0.000 0.226 546 P C 1.081 178.291 177.300 -0.149 0.000 1.153 546 P CA 0.949 63.956 63.100 -0.154 0.000 0.777 546 P CB 0.605 32.171 31.700 -0.223 0.000 0.794 547 Q N 0.219 119.943 119.800 -0.127 0.000 2.152 547 Q HA -0.125 4.167 4.340 -0.080 0.000 0.206 547 Q C 1.682 177.553 176.000 -0.215 0.000 0.985 547 Q CA 1.193 56.916 55.803 -0.134 0.000 0.863 547 Q CB -0.396 28.289 28.738 -0.088 0.000 0.904 547 Q HN 0.396 nan 8.270 nan 0.000 0.422 548 R N 0.702 120.995 120.500 -0.345 0.000 2.555 548 R HA 0.059 4.351 4.340 -0.080 0.000 0.272 548 R C 1.548 177.206 176.300 -1.070 0.000 1.089 548 R CA -0.231 55.514 56.100 -0.590 0.000 1.126 548 R CB -0.013 29.975 30.300 -0.521 0.000 1.250 548 R HN 0.134 nan 8.270 nan 0.000 0.551 549 L N 1.720 122.552 121.223 -0.651 0.000 2.079 549 L HA -0.236 4.057 4.340 -0.080 0.000 0.210 549 L C 2.063 178.797 176.870 -0.225 0.000 1.081 549 L CA 1.966 56.581 54.840 -0.375 0.000 0.752 549 L CB -0.452 41.553 42.059 -0.091 0.000 0.896 549 L HN 0.217 nan 8.230 nan 0.000 0.433 550 D N -0.300 119.979 120.400 -0.201 0.000 2.116 550 D HA -0.311 4.281 4.640 -0.080 0.000 0.193 550 D C 2.112 178.358 176.300 -0.090 0.000 0.998 550 D CA 1.851 55.784 54.000 -0.112 0.000 0.836 550 D CB 0.035 40.776 40.800 -0.098 0.000 0.951 550 D HN 0.420 nan 8.370 nan 0.000 0.449 551 K N -1.154 119.171 120.400 -0.125 0.000 2.103 551 K HA -0.087 4.186 4.320 -0.080 0.000 0.204 551 K C 2.452 179.238 176.600 0.310 0.000 1.052 551 K CA 0.812 57.172 56.287 0.121 0.000 0.945 551 K CB -0.178 32.452 32.500 0.217 0.000 0.722 551 K HN 0.325 nan 8.250 nan 0.000 0.443 552 Y N -0.182 120.157 120.300 0.065 0.000 2.274 552 Y HA -0.173 4.330 4.550 -0.078 0.000 0.290 552 Y C 2.228 178.245 175.900 0.194 0.000 1.145 552 Y CA 0.492 58.630 58.100 0.064 0.000 1.203 552 Y CB 0.011 38.477 38.460 0.011 0.000 0.984 552 Y HN 0.002 nan 8.280 nan 0.000 0.533 553 R N 0.038 120.688 120.500 0.250 0.000 2.075 553 R HA -0.074 4.218 4.340 -0.080 0.000 0.226 553 R C 2.373 178.722 176.300 0.081 0.000 1.114 553 R CA 0.936 57.133 56.100 0.162 0.000 0.972 553 R CB -0.207 30.150 30.300 0.095 0.000 0.869 553 R HN 0.234 nan 8.270 nan 0.000 0.437 554 R N 0.135 120.616 120.500 -0.033 0.000 2.075 554 R HA -0.047 4.245 4.340 -0.080 0.000 0.226 554 R C -0.079 176.024 176.300 -0.327 0.000 1.114 554 R CA 1.101 57.029 56.100 -0.286 0.000 0.972 554 R CB 0.262 30.222 30.300 -0.566 0.000 0.869 554 R HN 0.169 nan 8.270 nan 0.000 0.437 555 Y N 0.816 121.292 120.300 0.293 0.000 2.842 555 Y HA 0.225 4.727 4.550 -0.080 0.000 0.334 555 Y C -0.907 175.184 175.900 0.319 0.000 1.019 555 Y CA -1.213 57.068 58.100 0.301 0.000 1.258 555 Y CB 1.010 39.722 38.460 0.420 0.000 1.106 555 Y HN -0.078 nan 8.280 nan 0.000 0.545 556 D N 3.309 123.921 120.400 0.353 0.000 2.380 556 D HA 0.180 4.773 4.640 -0.080 0.000 0.230 556 D C 0.618 177.111 176.300 0.321 0.000 1.154 556 D CA 0.015 54.219 54.000 0.340 0.000 0.859 556 D CB 1.138 42.104 40.800 0.277 0.000 1.045 556 D HN 0.588 nan 8.370 nan 0.000 0.495 557 L N 2.837 124.188 121.223 0.212 0.000 2.362 557 L HA -0.033 4.260 4.340 -0.080 0.000 0.219 557 L C 1.052 177.921 176.870 -0.002 0.000 1.134 557 L CA 0.603 55.415 54.840 -0.047 0.000 0.807 557 L CB -0.119 41.759 42.059 -0.301 0.000 0.927 557 L HN 0.402 nan 8.230 nan 0.000 0.447 558 F N -0.274 119.840 119.950 0.274 0.000 2.639 558 F HA 0.327 4.805 4.527 -0.082 0.000 0.302 558 F C 1.417 177.314 175.800 0.160 0.000 1.097 558 F CA -0.681 57.447 58.000 0.213 0.000 1.294 558 F CB -0.331 38.742 39.000 0.122 0.000 1.027 558 F HN -0.135 nan 8.300 nan 0.000 0.550 559 A N 1.183 124.185 122.820 0.305 0.000 2.555 559 A HA 0.100 4.372 4.320 -0.080 0.000 0.233 559 A C -1.292 176.352 177.584 0.101 0.000 1.060 559 A CA -0.770 51.375 52.037 0.180 0.000 0.759 559 A CB -0.124 18.970 19.000 0.156 0.000 0.995 559 A HN 0.112 nan 8.150 nan 0.000 0.506 560 P HA -0.076 nan 4.420 nan 0.000 0.216 560 P C -0.074 177.210 177.300 -0.027 0.000 1.150 560 P CA 1.380 64.491 63.100 0.019 0.000 0.837 560 P CB 0.141 31.848 31.700 0.012 0.000 0.786 561 D N -0.881 119.489 120.400 -0.049 0.000 2.340 561 D HA 0.328 4.920 4.640 -0.080 0.000 0.240 561 D C 0.232 176.384 176.300 -0.248 0.000 1.001 561 D CA -0.361 53.574 54.000 -0.108 0.000 0.888 561 D CB 1.562 42.330 40.800 -0.054 0.000 1.310 561 D HN 0.007 nan 8.370 nan 0.000 0.474 562 M N -0.522 118.850 119.600 -0.379 0.000 2.644 562 M HA 0.500 4.933 4.480 -0.080 0.000 0.316 562 M C -0.478 175.602 176.300 -0.368 0.000 1.200 562 M CA -0.959 53.813 55.300 -0.880 0.000 0.944 562 M CB 1.636 33.628 32.600 -1.013 0.000 1.691 562 M HN 0.001 nan 8.290 nan 0.000 0.471 563 I N 2.815 123.189 120.570 -0.326 0.000 2.710 563 I HA 0.135 4.257 4.170 -0.080 0.000 0.286 563 I C 0.012 176.232 176.117 0.171 0.000 1.181 563 I CA 0.451 61.800 61.300 0.081 0.000 1.430 563 I CB -1.069 37.077 38.000 0.243 0.000 1.367 563 I HN 0.893 nan 8.210 nan 0.000 0.577 564 H N 1.732 120.835 119.070 0.054 0.000 2.961 564 H HA 0.734 5.244 4.556 -0.077 0.000 0.371 564 H C -1.078 174.302 175.328 0.087 0.000 1.190 564 H CA -0.942 55.163 56.048 0.093 0.000 1.138 564 H CB 1.573 31.390 29.762 0.091 0.000 1.816 564 H HN 0.469 nan 8.280 nan 0.000 0.551 565 S N 0.947 116.713 115.700 0.111 0.000 2.542 565 S HA 0.448 4.871 4.470 -0.080 0.000 0.293 565 S C -0.931 173.740 174.600 0.118 0.000 1.089 565 S CA -0.730 57.493 58.200 0.039 0.000 0.961 565 S CB 1.051 64.290 63.200 0.067 0.000 1.062 565 S HN 0.783 nan 8.310 nan 0.000 0.483 566 C N 6.341 125.681 119.300 0.067 0.000 2.125 566 C HA 0.374 4.786 4.460 -0.080 0.000 0.355 566 C C 2.004 177.015 174.990 0.035 0.000 1.047 566 C CA -0.621 58.451 59.018 0.090 0.000 1.501 566 C CB -2.081 25.711 27.740 0.085 0.000 1.783 566 C HN 0.901 nan 8.230 nan 0.000 0.455 567 L N 1.660 122.860 121.223 -0.039 0.000 2.042 567 L HA -0.173 4.119 4.340 -0.080 0.000 0.210 567 L C 2.342 179.128 176.870 -0.139 0.000 1.076 567 L CA 1.471 56.173 54.840 -0.229 0.000 0.749 567 L CB -0.413 41.164 42.059 -0.802 0.000 0.893 567 L HN 0.676 nan 8.230 nan 0.000 0.432 568 N N 0.167 118.824 118.700 -0.071 0.000 2.142 568 N HA -0.146 4.546 4.740 -0.080 0.000 0.186 568 N C 1.957 177.519 175.510 0.087 0.000 1.023 568 N CA 1.096 54.222 53.050 0.126 0.000 0.852 568 N CB -0.184 38.473 38.487 0.284 0.000 0.998 568 N HN 0.356 nan 8.380 nan 0.000 0.424 569 R N 0.947 121.471 120.500 0.041 0.000 2.096 569 R HA -0.066 4.226 4.340 -0.080 0.000 0.240 569 R C 2.406 178.702 176.300 -0.007 0.000 1.139 569 R CA 0.957 57.050 56.100 -0.013 0.000 0.952 569 R CB -0.455 29.846 30.300 -0.000 0.000 0.854 569 R HN 0.225 nan 8.270 nan 0.000 0.436 570 L N 0.364 121.608 121.223 0.035 0.000 2.017 570 L HA -0.236 4.056 4.340 -0.080 0.000 0.208 570 L C 2.856 179.756 176.870 0.049 0.000 1.073 570 L CA 1.480 56.348 54.840 0.047 0.000 0.745 570 L CB -0.514 41.598 42.059 0.090 0.000 0.894 570 L HN 0.317 nan 8.230 nan 0.000 0.432 571 Q N 0.451 120.329 119.800 0.131 0.000 2.084 571 Q HA -0.209 4.083 4.340 -0.080 0.000 0.202 571 Q C 2.349 178.356 176.000 0.013 0.000 0.978 571 Q CA 1.497 57.371 55.803 0.118 0.000 0.844 571 Q CB -0.063 28.868 28.738 0.321 0.000 0.898 571 Q HN 0.492 nan 8.270 nan 0.000 0.426 572 L N 0.124 121.303 121.223 -0.074 0.000 2.131 572 L HA -0.130 4.162 4.340 -0.080 0.000 0.210 572 L C 2.470 179.250 176.870 -0.149 0.000 1.092 572 L CA 1.000 55.695 54.840 -0.242 0.000 0.759 572 L CB -0.430 41.415 42.059 -0.358 0.000 0.903 572 L HN 0.269 nan 8.230 nan 0.000 0.435 573 A N -1.068 121.697 122.820 -0.092 0.000 1.930 573 A HA -0.022 4.251 4.320 -0.080 0.000 0.215 573 A C 1.155 178.702 177.584 -0.062 0.000 1.176 573 A CA 1.122 53.116 52.037 -0.072 0.000 0.632 573 A CB -0.130 18.840 19.000 -0.051 0.000 0.819 573 A HN 0.463 nan 8.150 nan 0.000 0.445 593 N N 0.580 119.254 118.700 -0.043 0.000 2.503 593 N HA 0.388 5.081 4.740 -0.080 0.000 0.267 593 N C -1.083 174.328 175.510 -0.166 0.000 1.214 593 N CA -0.282 52.750 53.050 -0.030 0.000 0.959 593 N CB 1.229 39.705 38.487 -0.019 0.000 1.142 593 N HN 0.411 nan 8.380 nan 0.000 0.455 594 L N 1.214 122.268 121.223 -0.281 0.000 2.343 594 L HA 0.503 4.796 4.340 -0.080 0.000 0.278 594 L C -2.627 174.157 176.870 -0.142 0.000 0.996 594 L CA -1.940 52.741 54.840 -0.265 0.000 0.831 594 L CB 1.663 43.444 42.059 -0.463 0.000 1.232 594 L HN 0.496 nan 8.230 nan 0.000 0.413 595 P HA 0.104 nan 4.420 nan 0.000 0.268 595 P C -1.052 176.179 177.300 -0.114 0.000 1.204 595 P CA -0.126 62.923 63.100 -0.084 0.000 0.768 595 P CB 0.407 32.073 31.700 -0.057 0.000 0.842 596 N N 4.771 123.399 118.700 -0.119 0.000 2.442 596 N HA 0.068 4.760 4.740 -0.080 0.000 0.265 596 N C -1.439 173.992 175.510 -0.132 0.000 1.138 596 N CA -2.141 50.838 53.050 -0.119 0.000 0.956 596 N CB 0.174 38.611 38.487 -0.083 0.000 1.067 596 N HN 0.227 nan 8.380 nan 0.000 0.474 597 P HA -0.064 nan 4.420 nan 0.000 0.230 597 P C 0.984 178.145 177.300 -0.231 0.000 1.158 597 P CA 0.963 63.746 63.100 -0.528 0.000 0.769 597 P CB -0.036 30.770 31.700 -1.490 0.000 0.807 598 I N -5.531 115.033 120.570 -0.009 0.000 4.018 598 I HA 0.394 4.516 4.170 -0.080 0.000 0.337 598 I C 1.827 178.189 176.117 0.408 0.000 1.327 598 I CA -0.109 61.418 61.300 0.377 0.000 1.100 598 I CB -0.376 37.850 38.000 0.378 0.000 1.025 598 I HN -0.285 nan 8.210 nan 0.000 0.396 599 A N 1.900 124.838 122.820 0.197 0.000 1.978 599 A HA -0.253 4.019 4.320 -0.080 0.000 0.220 599 A C 2.367 179.998 177.584 0.079 0.000 1.170 599 A CA 1.991 54.137 52.037 0.183 0.000 0.636 599 A CB -1.268 17.775 19.000 0.073 0.000 0.810 599 A HN 0.872 nan 8.150 nan 0.000 0.448 600 C N -2.964 116.265 119.300 -0.117 0.000 2.522 600 C HA 0.281 4.693 4.460 -0.080 0.000 0.271 600 C C 1.550 176.301 174.990 -0.398 0.000 1.425 600 C CA -0.149 58.688 59.018 -0.301 0.000 1.751 600 C CB -2.014 25.476 27.740 -0.417 0.000 1.775 600 C HN 0.408 nan 8.230 nan 0.000 0.557 601 F N 0.774 120.798 119.950 0.124 0.000 2.641 601 F HA 0.350 4.826 4.527 -0.084 0.000 0.302 601 F C 1.323 177.015 175.800 -0.181 0.000 1.098 601 F CA -0.680 57.349 58.000 0.047 0.000 1.318 601 F CB -0.583 38.504 39.000 0.144 0.000 1.035 601 F HN 0.090 nan 8.300 nan 0.000 0.551 602 R N 3.908 124.342 120.500 -0.111 0.000 2.504 602 R HA 0.017 4.309 4.340 -0.080 0.000 0.291 602 R C -2.317 173.594 176.300 -0.649 0.000 0.974 602 R CA -1.030 54.748 56.100 -0.537 0.000 1.077 602 R CB 0.078 30.253 30.300 -0.209 0.000 0.926 602 R HN -0.005 nan 8.270 nan 0.000 0.407 603 P HA 0.013 nan 4.420 nan 0.000 0.274 603 P C 0.167 176.935 177.300 -0.887 0.000 1.246 603 P CA -0.292 62.149 63.100 -1.099 0.000 0.795 603 P CB 1.049 31.595 31.700 -1.923 0.000 1.006 604 S N 0.161 115.473 115.700 -0.647 0.000 2.382 604 S HA -0.179 4.243 4.470 -0.080 0.000 0.228 604 S C 1.553 176.064 174.600 -0.148 0.000 1.027 604 S CA 0.871 58.908 58.200 -0.271 0.000 0.991 604 S CB -1.492 61.661 63.200 -0.078 0.000 0.823 604 S HN 0.730 nan 8.310 nan 0.000 0.469 605 W N 1.702 122.982 121.300 -0.033 0.000 2.848 605 W HA 0.513 5.126 4.660 -0.077 0.000 0.241 605 W C 0.317 176.843 176.519 0.012 0.000 1.289 605 W CA -0.655 56.687 57.345 -0.004 0.000 1.396 605 W CB -0.646 28.823 29.460 0.014 0.000 1.138 605 W HN 0.121 nan 8.180 nan 0.000 0.677 606 L N 0.000 121.152 121.223 -0.119 0.000 2.949 606 L HA 0.000 4.292 4.340 -0.080 0.000 0.249 606 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 606 L CB 0.000 42.008 42.059 -0.086 0.000 0.961 606 L HN 0.000 nan 8.230 nan 0.000 0.502