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 3opf_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVRGFYLRFG EGVSEEANRR ALALAEALLR APPPGLLDAV PAYGVLYLEY DATA SEQUENCE DPRRLSRGRL LRLLKGLPQE XXXXXRVVEI PVRYDGEDLP EVASRLGLSL DATA SEQUENCE EAVKALHQKP LYRVYALGFT PGFPFLAEVE PALRLPRKPH PRPRVPAHAV DATA SEQUENCE AVAGVQTGIY PLPSPGGWNL LGTSLVAVYD PHRETPFLLR PGDRVRFLEA DATA SEQUENCE EGPTPPEPRP LELLPEEPRL PALLVEEPGL MDLVVDGGRF LGGHLGLARS DATA SEQUENCE GPLDAPSARL ANRLVGNGAG APLLEFAYKG PVLTALRDLV AAFAGYGFVA DATA SEQUENCE LLEGEEIPPG QSFLWPRGKT LRFRPRGPGV RGYLAVAGGL EVRPFLGSAS DATA SEQUENCE PDLRGRIGRP LWAGDVLGLE ALRPVRPGRA FPQRPLPEAF RLRLLPGPQF DATA SEQUENCE AGEAFRALCS GPFRVARADR VGVELLGPEV PGGEGLSEPT PLGGVQVPPS DATA SEQUENCE GRPLVLLADK GSLGGYAKPA LVDPRDLWLL GQARPGVEIH FTS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 V N 1.524 121.398 119.914 -0.067 0.000 2.588 2 V HA 0.697 4.816 4.120 -0.001 0.000 0.304 2 V C -0.755 175.222 176.094 -0.196 0.000 1.042 2 V CA -0.576 61.652 62.300 -0.120 0.000 0.877 2 V CB 2.106 33.911 31.823 -0.031 0.000 0.996 2 V HN 0.744 nan 8.190 nan 0.000 0.425 3 R N 1.757 121.992 120.500 -0.442 0.000 2.836 3 R HA 0.881 5.221 4.340 -0.001 0.000 0.269 3 R C -0.387 175.544 176.300 -0.614 0.000 1.010 3 R CA -0.710 55.098 56.100 -0.486 0.000 0.930 3 R CB 2.637 32.597 30.300 -0.565 0.000 1.218 3 R HN 0.929 nan 8.270 nan 0.000 0.473 4 G N 0.651 109.316 108.800 -0.224 0.000 2.660 4 G HA2 0.652 4.612 3.960 -0.001 0.000 0.290 4 G HA3 0.652 4.612 3.960 -0.001 0.000 0.290 4 G C -1.708 173.233 174.900 0.069 0.000 1.432 4 G CA -0.619 44.330 45.100 -0.252 0.000 0.807 4 G HN 0.412 nan 8.290 nan 0.000 0.485 5 F N -1.871 118.057 119.950 -0.036 0.000 2.711 5 F HA 0.806 5.333 4.527 -0.001 0.000 0.313 5 F C -1.958 173.852 175.800 0.016 0.000 1.141 5 F CA -2.394 55.684 58.000 0.130 0.000 0.941 5 F CB 1.060 40.143 39.000 0.138 0.000 1.349 5 F HN 0.479 nan 8.300 nan 0.000 0.464 6 Y N 1.301 121.910 120.300 0.516 0.000 2.377 6 Y HA 0.703 5.252 4.550 -0.001 0.000 0.339 6 Y C -0.864 175.186 175.900 0.250 0.000 1.011 6 Y CA -1.028 57.295 58.100 0.372 0.000 1.093 6 Y CB 1.879 40.502 38.460 0.271 0.000 1.201 6 Y HN 0.446 nan 8.280 nan 0.000 0.455 7 L N 3.998 125.402 121.223 0.302 0.000 2.325 7 L HA 0.608 4.948 4.340 -0.001 0.000 0.278 7 L C -0.525 176.299 176.870 -0.076 0.000 1.023 7 L CA -0.841 54.009 54.840 0.016 0.000 0.811 7 L CB 1.616 43.650 42.059 -0.042 0.000 1.249 7 L HN 0.581 nan 8.230 nan 0.000 0.431 8 R N 2.422 122.743 120.500 -0.299 0.000 2.621 8 R HA 0.461 4.801 4.340 -0.001 0.000 0.292 8 R C -0.723 175.314 176.300 -0.438 0.000 0.969 8 R CA -0.416 55.571 56.100 -0.189 0.000 0.887 8 R CB 1.559 31.847 30.300 -0.019 0.000 1.180 8 R HN 0.413 nan 8.270 nan 0.000 0.450 9 F N 0.390 120.407 119.950 0.111 0.000 2.683 9 F HA 0.431 4.957 4.527 -0.001 0.000 0.306 9 F C 0.763 176.612 175.800 0.083 0.000 1.102 9 F CA -0.233 57.822 58.000 0.090 0.000 1.244 9 F CB 1.779 40.835 39.000 0.094 0.000 1.029 9 F HN 0.778 nan 8.300 nan 0.000 0.545 10 G N 0.879 109.789 108.800 0.184 0.000 2.316 10 G HA2 0.159 4.119 3.960 -0.001 0.000 0.468 10 G HA3 0.159 4.119 3.960 -0.001 0.000 0.468 10 G C -1.218 173.749 174.900 0.112 0.000 1.523 10 G CA -1.187 43.991 45.100 0.131 0.000 0.972 10 G HN 0.158 nan 8.290 nan 0.000 0.667 11 E N 0.494 120.731 120.200 0.062 0.000 2.312 11 E HA 0.695 5.044 4.350 -0.001 0.000 0.259 11 E C 0.986 177.590 176.600 0.006 0.000 1.122 11 E CA -0.092 56.324 56.400 0.027 0.000 0.922 11 E CB 1.526 31.225 29.700 -0.002 0.000 1.109 11 E HN 2.442 nan 8.360 nan 0.000 0.442 12 G N -0.277 108.490 108.800 -0.055 0.000 2.601 12 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.252 12 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.252 12 G C -0.457 174.377 174.900 -0.111 0.000 1.294 12 G CA -0.202 44.831 45.100 -0.112 0.000 0.912 12 G HN 0.664 nan 8.290 nan 0.000 0.574 13 V N 1.222 121.049 119.914 -0.144 0.000 2.339 13 V HA 0.571 4.691 4.120 -0.001 0.000 0.261 13 V C 0.612 176.662 176.094 -0.074 0.000 1.058 13 V CA 0.762 62.934 62.300 -0.213 0.000 0.897 13 V CB 0.719 32.345 31.823 -0.329 0.000 1.052 13 V HN 1.275 nan 8.190 nan 0.000 0.480 14 S N 3.141 118.887 115.700 0.077 0.000 2.647 14 S HA 0.332 4.802 4.470 -0.001 0.000 0.300 14 S C 0.723 175.533 174.600 0.350 0.000 1.129 14 S CA -0.601 57.706 58.200 0.179 0.000 1.029 14 S CB 1.752 65.038 63.200 0.143 0.000 1.007 14 S HN 0.842 nan 8.310 nan 0.000 0.484 15 E N 2.670 123.072 120.200 0.336 0.000 2.058 15 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 15 E C 1.475 178.170 176.600 0.159 0.000 0.997 15 E CA 1.633 58.202 56.400 0.282 0.000 0.801 15 E CB -0.086 29.719 29.700 0.175 0.000 0.746 15 E HN 0.766 nan 8.360 nan 0.000 0.450 16 E N 0.656 120.931 120.200 0.126 0.000 2.058 16 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 16 E C 1.752 178.400 176.600 0.081 0.000 0.997 16 E CA 1.723 58.170 56.400 0.078 0.000 0.801 16 E CB -0.482 29.262 29.700 0.073 0.000 0.746 16 E HN 0.323 nan 8.360 nan 0.000 0.450 17 A N 1.006 123.915 122.820 0.148 0.000 1.908 17 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 17 A C 2.269 179.952 177.584 0.164 0.000 1.181 17 A CA 1.856 54.013 52.037 0.199 0.000 0.627 17 A CB -1.030 18.125 19.000 0.257 0.000 0.818 17 A HN 0.496 nan 8.150 nan 0.000 0.445 18 N N -0.698 118.125 118.700 0.205 0.000 2.120 18 N HA -0.189 4.551 4.740 -0.001 0.000 0.188 18 N C 2.095 177.619 175.510 0.024 0.000 1.024 18 N CA 1.228 54.382 53.050 0.173 0.000 0.852 18 N CB -0.226 38.416 38.487 0.259 0.000 1.003 18 N HN 0.525 nan 8.380 nan 0.000 0.424 19 R N 0.679 121.174 120.500 -0.009 0.000 2.091 19 R HA -0.078 4.262 4.340 -0.001 0.000 0.238 19 R C 2.197 178.414 176.300 -0.138 0.000 1.136 19 R CA 1.137 57.197 56.100 -0.066 0.000 0.959 19 R CB 0.014 30.285 30.300 -0.049 0.000 0.856 19 R HN 0.228 nan 8.270 nan 0.000 0.437 20 R N -0.053 120.312 120.500 -0.225 0.000 2.073 20 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 20 R C 2.207 178.143 176.300 -0.608 0.000 1.134 20 R CA 1.462 57.254 56.100 -0.513 0.000 0.952 20 R CB -0.864 28.931 30.300 -0.842 0.000 0.850 20 R HN 0.284 nan 8.270 nan 0.000 0.433 21 A N 1.000 123.570 122.820 -0.416 0.000 1.902 21 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 21 A C 2.535 180.091 177.584 -0.046 0.000 1.181 21 A CA 1.663 53.650 52.037 -0.085 0.000 0.623 21 A CB -0.901 18.217 19.000 0.196 0.000 0.818 21 A HN 0.206 nan 8.150 nan 0.000 0.443 22 L N -0.425 120.763 121.223 -0.057 0.000 2.046 22 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 22 L C 2.913 179.738 176.870 -0.075 0.000 1.077 22 L CA 2.163 56.972 54.840 -0.051 0.000 0.747 22 L CB -1.541 40.486 42.059 -0.053 0.000 0.896 22 L HN 0.692 nan 8.230 nan 0.000 0.432 23 A N -0.863 121.895 122.820 -0.103 0.000 1.933 23 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 23 A C 2.260 179.796 177.584 -0.080 0.000 1.175 23 A CA 1.998 53.979 52.037 -0.094 0.000 0.628 23 A CB -0.555 18.379 19.000 -0.110 0.000 0.814 23 A HN 0.623 nan 8.150 nan 0.000 0.444 24 L N -1.009 120.165 121.223 -0.081 0.000 2.044 24 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 24 L C 3.153 180.003 176.870 -0.033 0.000 1.075 24 L CA 0.984 55.804 54.840 -0.033 0.000 0.747 24 L CB -0.647 41.427 42.059 0.025 0.000 0.903 24 L HN 0.438 nan 8.230 nan 0.000 0.435 25 A N 0.201 122.998 122.820 -0.038 0.000 1.865 25 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 25 A C 2.138 179.651 177.584 -0.119 0.000 1.191 25 A CA 1.965 53.959 52.037 -0.072 0.000 0.623 25 A CB -0.560 18.399 19.000 -0.068 0.000 0.826 25 A HN 0.458 nan 8.150 nan 0.000 0.444 26 E N -0.422 119.713 120.200 -0.109 0.000 2.077 26 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 26 E C 2.347 178.895 176.600 -0.087 0.000 0.989 26 E CA 0.945 57.278 56.400 -0.111 0.000 0.800 26 E CB -0.313 29.337 29.700 -0.083 0.000 0.746 26 E HN 0.626 nan 8.360 nan 0.000 0.452 27 A N 1.157 123.937 122.820 -0.067 0.000 1.877 27 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 27 A C 2.200 179.751 177.584 -0.054 0.000 1.186 27 A CA 1.180 53.186 52.037 -0.052 0.000 0.620 27 A CB -0.662 18.313 19.000 -0.041 0.000 0.822 27 A HN 0.127 nan 8.150 nan 0.000 0.443 28 L N -0.822 120.366 121.223 -0.059 0.000 2.056 28 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 28 L C 2.505 179.330 176.870 -0.074 0.000 1.078 28 L CA 1.016 55.819 54.840 -0.061 0.000 0.749 28 L CB -0.491 41.532 42.059 -0.061 0.000 0.901 28 L HN 0.348 nan 8.230 nan 0.000 0.433 29 L N -0.817 120.343 121.223 -0.106 0.000 2.201 29 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 29 L C 2.786 179.608 176.870 -0.079 0.000 1.105 29 L CA 0.930 55.697 54.840 -0.121 0.000 0.775 29 L CB -0.424 41.495 42.059 -0.235 0.000 0.913 29 L HN 0.199 nan 8.230 nan 0.000 0.440 30 R N 0.044 120.503 120.500 -0.068 0.000 2.092 30 R HA 0.024 4.364 4.340 -0.001 0.000 0.231 30 R C 0.679 176.957 176.300 -0.037 0.000 1.119 30 R CA 1.139 57.211 56.100 -0.046 0.000 0.970 30 R CB -0.026 30.248 30.300 -0.042 0.000 0.864 30 R HN 0.253 nan 8.270 nan 0.000 0.440 31 A N 1.708 124.504 122.820 -0.039 0.000 3.127 31 A HA 0.303 4.623 4.320 -0.001 0.000 0.319 31 A C -2.535 175.026 177.584 -0.037 0.000 1.104 31 A CA -1.264 50.753 52.037 -0.034 0.000 0.802 31 A CB 0.599 19.582 19.000 -0.029 0.000 1.193 31 A HN -0.059 nan 8.150 nan 0.000 0.479 32 P HA 0.330 nan 4.420 nan 0.000 0.276 32 P C -2.674 174.600 177.300 -0.043 0.000 1.235 32 P CA -0.809 62.265 63.100 -0.043 0.000 0.772 32 P CB 0.584 32.260 31.700 -0.040 0.000 0.871 33 P HA 0.272 nan 4.420 nan 0.000 0.275 33 P C -2.578 174.692 177.300 -0.050 0.000 1.228 33 P CA -1.803 61.271 63.100 -0.044 0.000 0.786 33 P CB -0.822 30.852 31.700 -0.044 0.000 0.927 34 P HA 0.072 nan 4.420 nan 0.000 0.262 34 P C 1.067 178.332 177.300 -0.058 0.000 1.182 34 P CA 1.320 64.384 63.100 -0.060 0.000 0.761 34 P CB -0.139 31.529 31.700 -0.052 0.000 0.795 35 G N 1.747 110.499 108.800 -0.081 0.000 2.213 35 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.226 35 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.226 35 G C -0.234 174.646 174.900 -0.032 0.000 0.992 35 G CA -0.301 44.764 45.100 -0.059 0.000 0.632 35 G HN 0.593 nan 8.290 nan 0.000 0.511 36 L N 1.513 122.707 121.223 -0.047 0.000 2.360 36 L HA 0.669 5.009 4.340 -0.001 0.000 0.276 36 L C 1.242 178.083 176.870 -0.048 0.000 1.121 36 L CA -0.332 54.487 54.840 -0.036 0.000 0.845 36 L CB 0.872 42.900 42.059 -0.052 0.000 1.143 36 L HN -0.002 nan 8.230 nan 0.000 0.452 37 L N 3.246 124.462 121.223 -0.013 0.000 2.470 37 L HA 0.440 4.779 4.340 -0.001 0.000 0.219 37 L C -0.009 176.944 176.870 0.138 0.000 1.071 37 L CA 0.555 55.446 54.840 0.086 0.000 0.850 37 L CB -0.606 41.531 42.059 0.131 0.000 1.040 37 L HN 0.624 nan 8.230 nan 0.000 0.475 38 D N -1.763 118.653 120.400 0.025 0.000 2.685 38 D HA 0.631 5.271 4.640 -0.001 0.000 0.236 38 D C -1.426 174.833 176.300 -0.068 0.000 1.233 38 D CA -0.135 53.876 54.000 0.019 0.000 0.760 38 D CB 2.284 43.117 40.800 0.054 0.000 1.410 38 D HN -0.128 nan 8.370 nan 0.000 0.439 39 A N 1.349 124.148 122.820 -0.035 0.000 2.651 39 A HA 0.563 4.882 4.320 -0.001 0.000 0.290 39 A C -1.355 176.230 177.584 0.002 0.000 1.185 39 A CA -0.484 51.515 52.037 -0.063 0.000 0.746 39 A CB 0.749 19.697 19.000 -0.088 0.000 1.213 39 A HN 0.181 nan 8.150 nan 0.000 0.429 40 V N 4.796 124.747 119.914 0.063 0.000 2.350 40 V HA 0.502 4.622 4.120 -0.001 0.000 0.285 40 V C -2.361 173.818 176.094 0.141 0.000 1.014 40 V CA -1.536 60.839 62.300 0.125 0.000 0.831 40 V CB 1.576 33.496 31.823 0.161 0.000 1.000 40 V HN 0.764 nan 8.190 nan 0.000 0.433 41 P HA 0.684 nan 4.420 nan 0.000 0.292 41 P C -0.989 176.392 177.300 0.135 0.000 1.283 41 P CA -0.596 62.586 63.100 0.136 0.000 0.835 41 P CB 2.127 33.877 31.700 0.084 0.000 1.017 42 A N 3.019 125.952 122.820 0.188 0.000 2.485 42 A HA 0.617 4.937 4.320 -0.001 0.000 0.285 42 A C -0.732 177.030 177.584 0.298 0.000 1.045 42 A CA -0.512 51.619 52.037 0.156 0.000 0.792 42 A CB 0.124 19.276 19.000 0.252 0.000 1.307 42 A HN 0.489 nan 8.150 nan 0.000 0.406 43 Y N 0.353 120.836 120.300 0.305 0.000 2.864 43 Y HA -0.426 4.124 4.550 -0.001 0.000 0.468 43 Y C 2.027 178.096 175.900 0.281 0.000 1.175 43 Y CA 1.910 60.194 58.100 0.307 0.000 2.601 43 Y CB -1.333 37.233 38.460 0.177 0.000 1.207 43 Y HN 1.077 nan 8.280 nan 0.000 0.627 44 G N 0.247 109.310 108.800 0.439 0.000 2.920 44 G HA2 0.335 4.294 3.960 -0.001 0.000 0.208 44 G HA3 0.335 4.294 3.960 -0.001 0.000 0.208 44 G C -0.386 174.762 174.900 0.413 0.000 1.159 44 G CA 0.723 46.051 45.100 0.380 0.000 0.784 44 G HN 0.300 nan 8.290 nan 0.000 0.535 45 V N 0.668 120.813 119.914 0.385 0.000 2.472 45 V HA 0.570 4.689 4.120 -0.001 0.000 0.290 45 V C -0.559 175.759 176.094 0.373 0.000 1.037 45 V CA -0.936 61.588 62.300 0.373 0.000 0.908 45 V CB 1.868 33.914 31.823 0.372 0.000 0.985 45 V HN 0.113 nan 8.190 nan 0.000 0.454 46 L N 5.146 126.594 121.223 0.375 0.000 2.372 46 L HA 0.558 4.897 4.340 -0.001 0.000 0.274 46 L C -1.292 175.719 176.870 0.235 0.000 0.988 46 L CA -0.405 54.614 54.840 0.298 0.000 0.833 46 L CB 1.408 43.668 42.059 0.335 0.000 1.236 46 L HN 0.646 nan 8.230 nan 0.000 0.410 47 Y N 5.593 125.876 120.300 -0.028 0.000 2.328 47 Y HA 0.691 5.241 4.550 -0.001 0.000 0.337 47 Y C -1.362 174.394 175.900 -0.240 0.000 1.008 47 Y CA -0.860 57.057 58.100 -0.306 0.000 1.129 47 Y CB 1.140 39.328 38.460 -0.452 0.000 1.185 47 Y HN 0.573 nan 8.280 nan 0.000 0.476 48 L N 6.154 126.828 121.223 -0.915 0.000 2.322 48 L HA 0.518 4.858 4.340 -0.001 0.000 0.281 48 L C -0.601 175.607 176.870 -1.103 0.000 1.014 48 L CA -0.732 53.609 54.840 -0.832 0.000 0.815 48 L CB 1.956 43.579 42.059 -0.727 0.000 1.247 48 L HN 0.623 nan 8.230 nan 0.000 0.421 49 E N 2.580 122.388 120.200 -0.653 0.000 2.222 49 E HA 0.575 4.925 4.350 -0.001 0.000 0.267 49 E C -1.815 174.707 176.600 -0.130 0.000 0.884 49 E CA -0.575 55.568 56.400 -0.428 0.000 0.764 49 E CB 2.015 31.567 29.700 -0.248 0.000 1.169 49 E HN 0.438 nan 8.360 nan 0.000 0.413 50 Y N 0.295 120.457 120.300 -0.230 0.000 2.609 50 Y HA 0.445 4.994 4.550 -0.001 0.000 0.336 50 Y C -1.344 174.501 175.900 -0.091 0.000 1.129 50 Y CA -1.430 56.576 58.100 -0.157 0.000 1.040 50 Y CB 1.072 39.431 38.460 -0.170 0.000 1.310 50 Y HN 0.261 nan 8.280 nan 0.000 0.460 51 D N 2.937 123.341 120.400 0.007 0.000 2.359 51 D HA 0.385 5.025 4.640 -0.001 0.000 0.230 51 D C -2.078 174.274 176.300 0.088 0.000 1.118 51 D CA -2.749 51.228 54.000 -0.038 0.000 0.844 51 D CB 1.782 42.549 40.800 -0.055 0.000 1.059 51 D HN 0.351 nan 8.370 nan 0.000 0.493 52 P HA -0.080 nan 4.420 nan 0.000 0.223 52 P C 1.245 178.599 177.300 0.091 0.000 1.151 52 P CA 1.034 64.237 63.100 0.171 0.000 0.787 52 P CB 0.169 31.935 31.700 0.110 0.000 0.788 53 R N 0.344 120.866 120.500 0.037 0.000 2.235 53 R HA 0.048 4.388 4.340 -0.001 0.000 0.213 53 R C 2.046 178.352 176.300 0.009 0.000 1.059 53 R CA 1.257 57.366 56.100 0.015 0.000 0.997 53 R CB -1.332 28.963 30.300 -0.007 0.000 0.884 53 R HN 0.272 nan 8.270 nan 0.000 0.462 54 R N -2.201 118.308 120.500 0.016 0.000 2.342 54 R HA 0.294 4.634 4.340 -0.001 0.000 0.204 54 R C -0.645 175.662 176.300 0.011 0.000 0.882 54 R CA -0.055 56.045 56.100 -0.000 0.000 1.041 54 R CB 0.584 30.867 30.300 -0.028 0.000 1.188 54 R HN 0.298 nan 8.270 nan 0.000 0.598 55 L N 1.399 122.652 121.223 0.051 0.000 2.491 55 L HA 0.327 4.666 4.340 -0.001 0.000 0.267 55 L C -0.481 176.417 176.870 0.046 0.000 0.971 55 L CA -0.625 54.232 54.840 0.028 0.000 0.857 55 L CB 1.842 43.907 42.059 0.011 0.000 1.226 55 L HN 0.064 nan 8.230 nan 0.000 0.408 56 S N 3.808 119.506 115.700 -0.003 0.000 2.585 56 S HA 0.296 4.766 4.470 -0.001 0.000 0.273 56 S C 1.240 175.762 174.600 -0.129 0.000 1.339 56 S CA -0.014 58.186 58.200 0.001 0.000 1.028 56 S CB 1.020 64.220 63.200 -0.000 0.000 0.906 56 S HN 0.865 nan 8.310 nan 0.000 0.528 57 R N 1.987 122.436 120.500 -0.085 0.000 2.113 57 R HA -0.136 4.204 4.340 -0.001 0.000 0.244 57 R C 2.312 178.542 176.300 -0.117 0.000 1.142 57 R CA 1.998 58.017 56.100 -0.135 0.000 0.953 57 R CB -1.294 29.047 30.300 0.068 0.000 0.860 57 R HN 0.912 nan 8.270 nan 0.000 0.438 58 G N 0.092 108.847 108.800 -0.075 0.000 2.418 58 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.217 58 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.217 58 G C 1.481 176.339 174.900 -0.070 0.000 1.158 58 G CA 0.729 45.785 45.100 -0.073 0.000 0.771 58 G HN 0.338 nan 8.290 nan 0.000 0.545 59 R N -0.503 119.957 120.500 -0.067 0.000 2.075 59 R HA 0.010 4.349 4.340 -0.001 0.000 0.232 59 R C 2.433 178.695 176.300 -0.064 0.000 1.126 59 R CA 1.203 57.268 56.100 -0.058 0.000 0.963 59 R CB -0.405 29.864 30.300 -0.051 0.000 0.858 59 R HN 0.319 nan 8.270 nan 0.000 0.435 60 L N 1.156 122.323 121.223 -0.094 0.000 2.012 60 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 60 L C 1.973 178.838 176.870 -0.008 0.000 1.073 60 L CA 1.702 56.499 54.840 -0.072 0.000 0.748 60 L CB -0.497 41.472 42.059 -0.149 0.000 0.891 60 L HN 0.262 nan 8.230 nan 0.000 0.431 61 L N -1.102 120.107 121.223 -0.023 0.000 2.131 61 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 61 L C 2.714 179.564 176.870 -0.034 0.000 1.092 61 L CA 1.113 55.927 54.840 -0.044 0.000 0.759 61 L CB -0.418 41.552 42.059 -0.149 0.000 0.903 61 L HN 0.219 nan 8.230 nan 0.000 0.435 62 R N -0.172 120.305 120.500 -0.039 0.000 2.075 62 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 62 R C 2.286 178.576 176.300 -0.017 0.000 1.126 62 R CA 1.127 57.210 56.100 -0.028 0.000 0.963 62 R CB -0.256 30.025 30.300 -0.031 0.000 0.858 62 R HN 0.270 nan 8.270 nan 0.000 0.435 63 L N 0.304 121.516 121.223 -0.018 0.000 2.046 63 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 63 L C 2.223 179.093 176.870 -0.000 0.000 1.077 63 L CA 1.170 56.002 54.840 -0.014 0.000 0.747 63 L CB -0.414 41.632 42.059 -0.022 0.000 0.896 63 L HN 0.218 nan 8.230 nan 0.000 0.432 64 L N 0.350 121.581 121.223 0.014 0.000 2.079 64 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 64 L C 3.208 180.100 176.870 0.038 0.000 1.081 64 L CA 1.772 56.636 54.840 0.040 0.000 0.752 64 L CB -0.829 41.276 42.059 0.077 0.000 0.896 64 L HN 0.279 nan 8.230 nan 0.000 0.433 65 K N 0.308 120.721 120.400 0.022 0.000 2.148 65 K HA -0.028 4.291 4.320 -0.001 0.000 0.204 65 K C 2.041 178.648 176.600 0.012 0.000 1.050 65 K CA 1.294 57.593 56.287 0.019 0.000 0.942 65 K CB -1.534 30.968 32.500 0.005 0.000 0.724 65 K HN 0.499 nan 8.250 nan 0.000 0.446 66 G N 0.172 108.975 108.800 0.004 0.000 2.511 66 G HA2 0.175 4.135 3.960 -0.001 0.000 0.217 66 G HA3 0.175 4.135 3.960 -0.001 0.000 0.217 66 G C 0.723 175.622 174.900 -0.002 0.000 1.133 66 G CA 0.052 45.151 45.100 -0.002 0.000 0.792 66 G HN 0.426 nan 8.290 nan 0.000 0.539 67 L N 2.005 123.228 121.223 0.001 0.000 2.417 67 L HA 0.275 4.615 4.340 -0.001 0.000 0.268 67 L C -1.560 175.306 176.870 -0.007 0.000 1.158 67 L CA -1.825 53.011 54.840 -0.006 0.000 0.819 67 L CB 0.854 42.910 42.059 -0.006 0.000 1.112 67 L HN 0.026 nan 8.230 nan 0.000 0.458 68 P HA 0.056 nan 4.420 nan 0.000 0.272 68 P C -0.568 176.712 177.300 -0.034 0.000 1.223 68 P CA -0.304 62.783 63.100 -0.021 0.000 0.784 68 P CB 0.744 32.430 31.700 -0.024 0.000 0.923 69 Q N -0.379 119.399 119.800 -0.038 0.000 2.398 69 Q HA 0.063 4.402 4.340 -0.001 0.000 0.204 69 Q C 1.133 177.083 176.000 -0.083 0.000 0.932 69 Q CA 0.846 56.609 55.803 -0.067 0.000 0.916 69 Q CB 0.230 28.940 28.738 -0.048 0.000 1.024 69 Q HN 0.729 nan 8.270 nan 0.000 0.504 77 V N 2.968 122.875 119.914 -0.011 0.000 2.389 77 V HA 0.495 4.615 4.120 -0.001 0.000 0.264 77 V C 0.171 176.254 176.094 -0.019 0.000 1.049 77 V CA -0.784 61.508 62.300 -0.013 0.000 0.932 77 V CB 1.295 33.114 31.823 -0.007 0.000 1.011 77 V HN 0.644 nan 8.190 nan 0.000 0.475 78 V N 5.526 125.420 119.914 -0.035 0.000 2.394 78 V HA 0.356 4.475 4.120 -0.001 0.000 0.282 78 V C 0.241 176.288 176.094 -0.078 0.000 1.031 78 V CA -0.718 61.553 62.300 -0.047 0.000 0.881 78 V CB 1.550 33.344 31.823 -0.049 0.000 0.982 78 V HN 0.852 nan 8.190 nan 0.000 0.451 79 E N 4.988 125.154 120.200 -0.056 0.000 2.227 79 E HA 0.444 4.794 4.350 -0.001 0.000 0.282 79 E C -1.047 175.510 176.600 -0.072 0.000 1.015 79 E CA -0.618 55.747 56.400 -0.058 0.000 0.823 79 E CB 1.877 31.570 29.700 -0.011 0.000 1.081 79 E HN 0.377 nan 8.360 nan 0.000 0.396 80 I N 5.219 125.722 120.570 -0.111 0.000 2.390 80 I HA 0.217 4.387 4.170 -0.001 0.000 0.283 80 I C -2.277 173.880 176.117 0.068 0.000 1.016 80 I CA -2.851 58.411 61.300 -0.063 0.000 1.151 80 I CB 0.941 38.824 38.000 -0.195 0.000 1.293 80 I HN 0.176 nan 8.210 nan 0.000 0.458 81 P HA 0.207 nan 4.420 nan 0.000 0.271 81 P C -0.637 176.689 177.300 0.045 0.000 1.220 81 P CA -0.043 63.096 63.100 0.065 0.000 0.768 81 P CB 1.555 33.274 31.700 0.031 0.000 0.848 82 V N 4.517 124.433 119.914 0.004 0.000 2.577 82 V HA 0.377 4.496 4.120 -0.001 0.000 0.303 82 V C 0.492 176.420 176.094 -0.278 0.000 1.042 82 V CA -0.838 61.347 62.300 -0.191 0.000 0.872 82 V CB 2.109 33.668 31.823 -0.440 0.000 0.998 82 V HN 0.495 nan 8.190 nan 0.000 0.423 83 R N 3.135 123.508 120.500 -0.212 0.000 2.216 83 R HA 0.317 4.657 4.340 -0.001 0.000 0.332 83 R C -1.229 174.960 176.300 -0.185 0.000 1.056 83 R CA -0.401 55.627 56.100 -0.120 0.000 0.901 83 R CB 0.326 30.596 30.300 -0.049 0.000 1.039 83 R HN 0.691 nan 8.270 nan 0.000 0.456 84 Y N 4.120 124.425 120.300 0.008 0.000 2.667 84 Y HA 0.080 4.630 4.550 -0.001 0.000 0.340 84 Y C 0.145 176.037 175.900 -0.014 0.000 1.303 84 Y CA -0.393 57.697 58.100 -0.017 0.000 1.769 84 Y CB 0.332 38.783 38.460 -0.016 0.000 1.804 84 Y HN 0.601 nan 8.280 nan 0.000 0.451 85 D N -0.829 119.615 120.400 0.074 0.000 2.804 85 D HA 0.168 4.808 4.640 -0.001 0.000 0.308 85 D C 0.713 177.030 176.300 0.028 0.000 1.371 85 D CA -0.386 53.645 54.000 0.052 0.000 0.823 85 D CB -0.144 40.677 40.800 0.035 0.000 1.126 85 D HN 0.372 nan 8.370 nan 0.000 0.467 86 G N 0.396 109.213 108.800 0.029 0.000 2.491 86 G HA2 0.018 3.978 3.960 -0.001 0.000 0.238 86 G HA3 0.018 3.978 3.960 -0.001 0.000 0.238 86 G C 0.678 175.586 174.900 0.014 0.000 1.277 86 G CA -0.389 44.718 45.100 0.010 0.000 0.851 86 G HN 0.245 nan 8.290 nan 0.000 0.573 87 E N 0.327 120.530 120.200 0.005 0.000 2.160 87 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 87 E C 0.927 177.534 176.600 0.012 0.000 0.991 87 E CA 1.348 57.752 56.400 0.007 0.000 0.810 87 E CB 0.156 29.857 29.700 0.001 0.000 0.742 87 E HN 0.535 nan 8.360 nan 0.000 0.466 88 D N 0.150 120.559 120.400 0.015 0.000 2.339 88 D HA -0.055 4.585 4.640 -0.001 0.000 0.217 88 D C 1.739 178.048 176.300 0.016 0.000 1.050 88 D CA -0.038 53.973 54.000 0.019 0.000 0.856 88 D CB 0.238 41.054 40.800 0.027 0.000 0.922 88 D HN 0.190 nan 8.370 nan 0.000 0.518 89 L N 1.951 123.185 121.223 0.018 0.000 2.012 89 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 89 L C -0.941 175.935 176.870 0.009 0.000 1.073 89 L CA 2.193 57.043 54.840 0.017 0.000 0.748 89 L CB -1.411 40.668 42.059 0.032 0.000 0.891 89 L HN -0.072 nan 8.230 nan 0.000 0.431 90 P HA -0.183 nan 4.420 nan 0.000 0.216 90 P C 1.492 178.795 177.300 0.005 0.000 1.153 90 P CA 1.502 64.607 63.100 0.007 0.000 0.848 90 P CB -0.012 31.693 31.700 0.009 0.000 0.787 91 E N -0.218 119.986 120.200 0.007 0.000 2.072 91 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 91 E C 1.782 178.384 176.600 0.004 0.000 0.985 91 E CA 1.025 57.429 56.400 0.007 0.000 0.801 91 E CB -0.282 29.424 29.700 0.010 0.000 0.750 91 E HN -0.068 nan 8.360 nan 0.000 0.452 92 V N 1.352 121.268 119.914 0.004 0.000 2.295 92 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 92 V C 2.507 178.598 176.094 -0.004 0.000 1.049 92 V CA 1.815 64.115 62.300 -0.000 0.000 1.024 92 V CB -0.858 30.965 31.823 0.001 0.000 0.648 92 V HN 0.439 nan 8.190 nan 0.000 0.447 93 A N 0.954 123.771 122.820 -0.004 0.000 1.883 93 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 93 A C 2.545 180.126 177.584 -0.005 0.000 1.186 93 A CA 2.687 54.720 52.037 -0.007 0.000 0.624 93 A CB -0.883 18.112 19.000 -0.008 0.000 0.822 93 A HN 0.688 nan 8.150 nan 0.000 0.444 94 S N -0.277 115.421 115.700 -0.003 0.000 2.368 94 S HA -0.149 4.321 4.470 -0.001 0.000 0.224 94 S C 1.973 176.571 174.600 -0.003 0.000 1.029 94 S CA 1.169 59.367 58.200 -0.002 0.000 0.988 94 S CB -0.432 62.768 63.200 -0.000 0.000 0.838 94 S HN 0.592 nan 8.310 nan 0.000 0.462 95 R N 0.658 121.156 120.500 -0.003 0.000 2.148 95 R HA 0.223 4.563 4.340 -0.001 0.000 0.227 95 R C 1.674 177.969 176.300 -0.008 0.000 1.103 95 R CA 1.011 57.108 56.100 -0.005 0.000 0.983 95 R CB -0.364 29.932 30.300 -0.006 0.000 0.874 95 R HN 0.419 nan 8.270 nan 0.000 0.451 96 L N -0.687 120.532 121.223 -0.008 0.000 2.607 96 L HA 0.240 4.579 4.340 -0.001 0.000 0.228 96 L C 0.846 177.712 176.870 -0.007 0.000 1.123 96 L CA 0.101 54.936 54.840 -0.009 0.000 0.890 96 L CB 0.534 42.588 42.059 -0.008 0.000 1.103 96 L HN 0.353 nan 8.230 nan 0.000 0.468 97 G N 1.141 109.937 108.800 -0.006 0.000 2.221 97 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.265 97 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.265 97 G C -0.127 174.769 174.900 -0.006 0.000 1.041 97 G CA 0.172 45.268 45.100 -0.006 0.000 0.807 97 G HN 0.254 nan 8.290 nan 0.000 0.502 98 L N 0.272 121.491 121.223 -0.007 0.000 2.319 98 L HA 0.721 5.061 4.340 -0.001 0.000 0.267 98 L C 1.114 177.978 176.870 -0.010 0.000 1.011 98 L CA -0.640 54.194 54.840 -0.009 0.000 0.818 98 L CB 1.983 44.036 42.059 -0.010 0.000 1.316 98 L HN 0.346 nan 8.230 nan 0.000 0.432 99 S N 0.351 116.044 115.700 -0.012 0.000 2.603 99 S HA 0.230 4.700 4.470 -0.001 0.000 0.268 99 S C 0.992 175.580 174.600 -0.019 0.000 1.317 99 S CA -0.692 57.501 58.200 -0.012 0.000 1.012 99 S CB 0.996 64.189 63.200 -0.011 0.000 0.926 99 S HN 0.436 nan 8.310 nan 0.000 0.539 100 L N 1.199 122.412 121.223 -0.018 0.000 2.013 100 L HA -0.072 4.268 4.340 -0.001 0.000 0.212 100 L C 2.745 179.586 176.870 -0.048 0.000 1.073 100 L CA 1.790 56.615 54.840 -0.025 0.000 0.753 100 L CB -1.460 40.592 42.059 -0.011 0.000 0.890 100 L HN 0.735 nan 8.230 nan 0.000 0.432 101 E N -0.661 119.517 120.200 -0.038 0.000 2.150 101 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 101 E C 2.271 178.835 176.600 -0.060 0.000 0.985 101 E CA 1.211 57.582 56.400 -0.049 0.000 0.814 101 E CB -0.209 29.476 29.700 -0.025 0.000 0.752 101 E HN 0.474 nan 8.360 nan 0.000 0.466 102 A N 0.936 123.730 122.820 -0.043 0.000 1.930 102 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 102 A C 2.596 180.152 177.584 -0.047 0.000 1.175 102 A CA 1.133 53.148 52.037 -0.036 0.000 0.627 102 A CB -0.543 18.444 19.000 -0.021 0.000 0.815 102 A HN 0.122 nan 8.150 nan 0.000 0.443 103 V N 0.409 120.289 119.914 -0.058 0.000 2.295 103 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 103 V C 2.454 178.466 176.094 -0.136 0.000 1.049 103 V CA 2.385 64.646 62.300 -0.064 0.000 1.024 103 V CB -0.712 31.076 31.823 -0.057 0.000 0.648 103 V HN 0.547 nan 8.190 nan 0.000 0.447 104 K N 0.275 120.521 120.400 -0.257 0.000 2.063 104 K HA -0.163 4.156 4.320 -0.001 0.000 0.208 104 K C 2.315 178.726 176.600 -0.315 0.000 1.048 104 K CA 1.590 57.538 56.287 -0.564 0.000 0.928 104 K CB -0.448 31.723 32.500 -0.549 0.000 0.713 104 K HN 0.484 nan 8.250 nan 0.000 0.442 105 A N 1.508 124.242 122.820 -0.143 0.000 1.873 105 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 105 A C 2.172 179.756 177.584 0.001 0.000 1.186 105 A CA 1.155 53.164 52.037 -0.048 0.000 0.616 105 A CB -0.638 18.345 19.000 -0.028 0.000 0.823 105 A HN 0.145 nan 8.150 nan 0.000 0.442 106 L N -1.299 119.926 121.223 0.003 0.000 2.046 106 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 106 L C 2.719 179.645 176.870 0.093 0.000 1.077 106 L CA 1.649 56.510 54.840 0.035 0.000 0.747 106 L CB -0.666 41.411 42.059 0.029 0.000 0.896 106 L HN 0.608 nan 8.230 nan 0.000 0.432 107 H N 0.326 119.407 119.070 0.018 0.000 2.421 107 H HA -0.150 4.406 4.556 -0.001 0.000 0.298 107 H C 2.003 177.493 175.328 0.270 0.000 1.087 107 H CA 1.590 57.704 56.048 0.111 0.000 1.330 107 H CB 0.343 30.114 29.762 0.015 0.000 1.388 107 H HN 0.482 nan 8.280 nan 0.000 0.526 108 Q N 0.171 120.108 119.800 0.228 0.000 2.311 108 Q HA -0.090 4.250 4.340 -0.001 0.000 0.203 108 Q C 2.238 178.354 176.000 0.194 0.000 0.954 108 Q CA 0.824 56.804 55.803 0.296 0.000 0.885 108 Q CB 0.225 29.117 28.738 0.257 0.000 0.963 108 Q HN 0.198 nan 8.270 nan 0.000 0.471 109 K N 1.454 121.911 120.400 0.094 0.000 2.020 109 K HA -0.105 4.214 4.320 -0.001 0.000 0.212 109 K C -1.598 174.977 176.600 -0.042 0.000 1.050 109 K CA 1.066 57.366 56.287 0.023 0.000 0.929 109 K CB -1.280 31.219 32.500 -0.002 0.000 0.714 109 K HN 0.071 nan 8.250 nan 0.000 0.443 110 P HA 0.063 nan 4.420 nan 0.000 0.277 110 P C -1.175 175.961 177.300 -0.272 0.000 1.240 110 P CA -0.415 62.462 63.100 -0.372 0.000 0.798 110 P CB 0.652 31.817 31.700 -0.892 0.000 0.979 111 L N 4.056 125.177 121.223 -0.170 0.000 2.334 111 L HA 0.262 4.601 4.340 -0.001 0.000 0.286 111 L C -0.836 175.999 176.870 -0.060 0.000 1.108 111 L CA -0.392 54.414 54.840 -0.055 0.000 0.875 111 L CB -1.541 40.505 42.059 -0.022 0.000 1.246 111 L HN 0.203 nan 8.230 nan 0.000 0.439 112 Y N 3.856 124.199 120.300 0.072 0.000 2.330 112 Y HA 0.342 4.892 4.550 -0.001 0.000 0.341 112 Y C 0.853 176.791 175.900 0.064 0.000 1.278 112 Y CA -0.019 58.150 58.100 0.116 0.000 1.453 112 Y CB 0.503 39.069 38.460 0.177 0.000 1.342 112 Y HN 0.495 nan 8.280 nan 0.000 0.590 113 R N 0.552 121.209 120.500 0.261 0.000 2.599 113 R HA 0.575 4.915 4.340 -0.001 0.000 0.295 113 R C -1.939 174.377 176.300 0.026 0.000 0.963 113 R CA -0.800 55.308 56.100 0.013 0.000 0.883 113 R CB 1.321 31.474 30.300 -0.245 0.000 1.171 113 R HN 0.535 nan 8.270 nan 0.000 0.450 114 V N 5.979 125.869 119.914 -0.041 0.000 2.415 114 V HA 0.071 4.191 4.120 -0.001 0.000 0.267 114 V C 0.172 176.198 176.094 -0.113 0.000 1.042 114 V CA 0.206 62.514 62.300 0.012 0.000 1.000 114 V CB 0.465 32.291 31.823 0.004 0.000 1.015 114 V HN 0.829 nan 8.190 nan 0.000 0.478 115 Y N 3.127 123.446 120.300 0.032 0.000 2.476 115 Y HA 0.497 5.047 4.550 -0.001 0.000 0.283 115 Y C 1.196 176.942 175.900 -0.257 0.000 1.109 115 Y CA 0.814 58.851 58.100 -0.104 0.000 1.246 115 Y CB 0.521 38.898 38.460 -0.139 0.000 1.068 115 Y HN 0.679 nan 8.280 nan 0.000 0.552 116 A N -0.114 122.687 122.820 -0.031 0.000 2.574 116 A HA 0.643 4.963 4.320 -0.001 0.000 0.297 116 A C -2.235 175.311 177.584 -0.063 0.000 1.062 116 A CA -0.564 51.435 52.037 -0.064 0.000 0.686 116 A CB 1.248 20.214 19.000 -0.058 0.000 1.285 116 A HN 0.049 nan 8.150 nan 0.000 0.403 117 L N 1.187 122.348 121.223 -0.103 0.000 2.409 117 L HA 0.771 5.111 4.340 -0.001 0.000 0.272 117 L C 0.544 177.294 176.870 -0.200 0.000 0.980 117 L CA 1.273 56.021 54.840 -0.153 0.000 0.826 117 L CB 2.122 44.094 42.059 -0.145 0.000 1.268 117 L HN 1.877 nan 8.230 nan 0.000 0.407 118 G N 3.031 111.694 108.800 -0.229 0.000 2.157 118 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.114 118 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.114 118 G C 0.358 175.118 174.900 -0.232 0.000 1.041 118 G CA 0.145 45.115 45.100 -0.217 0.000 0.714 118 G HN 0.605 nan 8.290 nan 0.000 0.492 119 F N 2.267 121.910 119.950 -0.512 0.000 2.126 119 F HA 0.115 4.641 4.527 -0.001 0.000 0.299 119 F C 1.822 177.416 175.800 -0.344 0.000 1.096 119 F CA 2.559 60.252 58.000 -0.512 0.000 1.255 119 F CB 0.229 38.683 39.000 -0.909 0.000 0.997 119 F HN 0.375 nan 8.300 nan 0.000 0.479 120 T N -2.424 112.071 114.554 -0.098 0.000 2.924 120 T HA 0.462 4.812 4.350 -0.001 0.000 0.291 120 T C -2.835 171.811 174.700 -0.090 0.000 1.045 120 T CA -2.598 59.462 62.100 -0.066 0.000 1.015 120 T CB 1.627 70.533 68.868 0.064 0.000 1.103 120 T HN -0.313 nan 8.240 nan 0.000 0.496 121 P HA 0.225 nan 4.420 nan 0.000 0.258 121 P C 1.125 178.296 177.300 -0.215 0.000 1.172 121 P CA 1.511 64.465 63.100 -0.242 0.000 0.762 121 P CB -0.118 31.325 31.700 -0.429 0.000 0.764 122 G N 2.856 111.658 108.800 0.004 0.000 2.176 122 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.253 122 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.253 122 G C -0.017 174.938 174.900 0.092 0.000 0.979 122 G CA -0.568 44.662 45.100 0.217 0.000 0.641 122 G HN 0.509 nan 8.290 nan 0.000 0.530 123 F N 4.312 124.167 119.950 -0.159 0.000 2.466 123 F HA 0.522 5.048 4.527 -0.001 0.000 0.363 123 F C -1.581 174.021 175.800 -0.329 0.000 1.109 123 F CA -2.729 55.125 58.000 -0.245 0.000 1.161 123 F CB 1.004 39.794 39.000 -0.349 0.000 1.117 123 F HN 0.019 nan 8.300 nan 0.000 0.539 124 P HA 0.197 nan 4.420 nan 0.000 0.290 124 P C -1.218 176.229 177.300 0.245 0.000 1.276 124 P CA -0.275 62.862 63.100 0.062 0.000 0.808 124 P CB 0.898 32.630 31.700 0.053 0.000 0.966 125 F N 2.869 122.990 119.950 0.285 0.000 2.385 125 F HA 0.413 4.940 4.527 -0.001 0.000 0.360 125 F C 0.389 176.388 175.800 0.332 0.000 1.122 125 F CA -0.646 57.565 58.000 0.352 0.000 1.090 125 F CB 0.613 39.802 39.000 0.316 0.000 1.150 125 F HN 0.062 nan 8.300 nan 0.000 0.472 126 L N 3.084 124.650 121.223 0.571 0.000 2.342 126 L HA 0.945 5.284 4.340 -0.001 0.000 0.271 126 L C -0.216 176.984 176.870 0.550 0.000 1.008 126 L CA -0.607 54.530 54.840 0.496 0.000 0.818 126 L CB 1.925 44.176 42.059 0.320 0.000 1.296 126 L HN 0.682 nan 8.230 nan 0.000 0.427 127 A N 1.225 124.453 122.820 0.680 0.000 2.594 127 A HA 0.795 5.115 4.320 -0.001 0.000 0.291 127 A C -1.463 176.428 177.584 0.512 0.000 1.105 127 A CA -0.656 51.709 52.037 0.547 0.000 0.694 127 A CB 1.453 20.602 19.000 0.249 0.000 1.291 127 A HN 0.658 nan 8.150 nan 0.000 0.410 128 E N 0.379 120.718 120.200 0.231 0.000 2.179 128 E HA 0.491 4.841 4.350 -0.001 0.000 0.275 128 E C -0.848 175.830 176.600 0.130 0.000 0.945 128 E CA -0.897 55.600 56.400 0.162 0.000 0.792 128 E CB 2.203 31.940 29.700 0.062 0.000 1.125 128 E HN 0.380 nan 8.360 nan 0.000 0.397 129 V N 3.420 123.468 119.914 0.223 0.000 2.740 129 V HA -0.056 4.064 4.120 -0.001 0.000 0.303 129 V C 0.701 176.831 176.094 0.059 0.000 1.054 129 V CA -0.070 62.347 62.300 0.195 0.000 1.106 129 V CB 0.562 32.486 31.823 0.167 0.000 0.957 129 V HN 0.632 nan 8.190 nan 0.000 0.486 130 E N 5.868 126.088 120.200 0.034 0.000 2.502 130 E HA -0.030 4.319 4.350 -0.001 0.000 0.261 130 E C -1.490 175.115 176.600 0.008 0.000 0.974 130 E CA -1.229 55.174 56.400 0.005 0.000 0.936 130 E CB 0.400 30.104 29.700 0.006 0.000 0.926 130 E HN 0.415 nan 8.360 nan 0.000 0.459 131 P HA -0.221 nan 4.420 nan 0.000 0.216 131 P C 0.925 178.220 177.300 -0.007 0.000 1.154 131 P CA 2.201 65.296 63.100 -0.009 0.000 0.865 131 P CB 0.162 31.855 31.700 -0.011 0.000 0.789 132 A N -1.655 121.163 122.820 -0.003 0.000 2.172 132 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 132 A C 1.858 179.443 177.584 0.001 0.000 1.154 132 A CA 0.902 52.937 52.037 -0.003 0.000 0.701 132 A CB -1.164 17.835 19.000 -0.003 0.000 0.789 132 A HN 0.177 nan 8.150 nan 0.000 0.465 133 L N -0.717 120.513 121.223 0.012 0.000 2.640 133 L HA 0.293 4.633 4.340 -0.001 0.000 0.230 133 L C 0.626 177.501 176.870 0.008 0.000 1.123 133 L CA 0.022 54.875 54.840 0.022 0.000 0.900 133 L CB -0.203 41.893 42.059 0.061 0.000 1.146 133 L HN 0.179 nan 8.230 nan 0.000 0.484 134 R N 0.678 121.172 120.500 -0.010 0.000 2.298 134 R HA 0.557 4.897 4.340 -0.001 0.000 0.310 134 R C -1.077 175.194 176.300 -0.049 0.000 1.068 134 R CA -0.105 55.973 56.100 -0.037 0.000 0.957 134 R CB 0.852 31.126 30.300 -0.042 0.000 1.003 134 R HN 0.195 nan 8.270 nan 0.000 0.454 135 L N 4.417 125.596 121.223 -0.074 0.000 2.545 135 L HA 0.494 4.833 4.340 -0.001 0.000 0.258 135 L C -2.700 174.107 176.870 -0.106 0.000 0.942 135 L CA -2.058 52.739 54.840 -0.071 0.000 0.855 135 L CB 2.801 44.832 42.059 -0.047 0.000 1.374 135 L HN 0.414 nan 8.230 nan 0.000 0.411 136 P HA 0.340 nan 4.420 nan 0.000 0.272 136 P C -0.672 176.564 177.300 -0.107 0.000 1.240 136 P CA -0.248 62.785 63.100 -0.111 0.000 0.791 136 P CB 0.401 32.055 31.700 -0.076 0.000 0.978 137 R N 1.508 121.933 120.500 -0.125 0.000 2.774 137 R HA 0.141 4.480 4.340 -0.001 0.000 0.269 137 R C 0.570 176.872 176.300 0.002 0.000 1.068 137 R CA -0.026 56.041 56.100 -0.055 0.000 1.180 137 R CB -0.926 29.367 30.300 -0.011 0.000 1.077 137 R HN 0.503 nan 8.270 nan 0.000 0.513 138 K N 1.732 122.164 120.400 0.053 0.000 2.414 138 K HA 0.070 4.390 4.320 -0.001 0.000 0.272 138 K C -1.395 175.215 176.600 0.017 0.000 0.993 138 K CA -0.886 55.429 56.287 0.047 0.000 0.964 138 K CB 0.760 33.308 32.500 0.081 0.000 0.925 138 K HN 0.484 nan 8.250 nan 0.000 0.487 139 P HA -0.156 nan 4.420 nan 0.000 0.215 139 P C -0.248 176.871 177.300 -0.302 0.000 1.157 139 P CA 1.521 64.538 63.100 -0.137 0.000 0.874 139 P CB 0.198 31.851 31.700 -0.079 0.000 0.790 140 H N -2.253 116.853 119.070 0.060 0.000 2.622 140 H HA 0.326 4.882 4.556 -0.001 0.000 0.363 140 H C -2.252 173.123 175.328 0.078 0.000 1.151 140 H CA -2.120 53.969 56.048 0.069 0.000 1.184 140 H CB 1.392 31.185 29.762 0.052 0.000 1.643 140 H HN -0.004 nan 8.280 nan 0.000 0.531 141 P HA 0.205 nan 4.420 nan 0.000 0.277 141 P C -0.134 177.242 177.300 0.126 0.000 1.240 141 P CA -0.587 62.609 63.100 0.161 0.000 0.798 141 P CB 1.433 33.230 31.700 0.160 0.000 0.979 142 R N 2.736 123.291 120.500 0.092 0.000 2.570 142 R HA 0.065 4.405 4.340 -0.001 0.000 0.277 142 R C -1.143 175.190 176.300 0.055 0.000 1.039 142 R CA -1.001 55.132 56.100 0.055 0.000 1.065 142 R CB -0.066 30.244 30.300 0.017 0.000 0.964 142 R HN 0.445 nan 8.270 nan 0.000 0.428 143 P HA -0.126 nan 4.420 nan 0.000 0.219 143 P C 0.010 177.334 177.300 0.040 0.000 1.150 143 P CA 1.285 64.413 63.100 0.047 0.000 0.814 143 P CB 0.369 32.089 31.700 0.034 0.000 0.787 144 R N 0.025 120.535 120.500 0.016 0.000 2.721 144 R HA 0.350 4.690 4.340 -0.001 0.000 0.272 144 R C -1.275 174.997 176.300 -0.048 0.000 1.721 144 R CA -0.418 55.683 56.100 0.001 0.000 1.325 144 R CB 0.949 31.253 30.300 0.006 0.000 1.271 144 R HN -0.231 nan 8.270 nan 0.000 0.556 145 V N 5.760 125.610 119.914 -0.107 0.000 2.572 145 V HA 0.185 4.305 4.120 -0.001 0.000 0.291 145 V C -1.602 174.367 176.094 -0.208 0.000 1.039 145 V CA -1.058 61.088 62.300 -0.257 0.000 1.055 145 V CB 0.951 32.381 31.823 -0.656 0.000 0.969 145 V HN 0.641 nan 8.190 nan 0.000 0.482 146 P HA 0.187 nan 4.420 nan 0.000 0.272 146 P C -0.377 176.854 177.300 -0.116 0.000 1.223 146 P CA -0.276 62.764 63.100 -0.101 0.000 0.784 146 P CB 0.633 32.296 31.700 -0.061 0.000 0.923 147 A N 2.762 125.506 122.820 -0.126 0.000 2.561 147 A HA -0.003 4.316 4.320 -0.001 0.000 0.234 147 A C 0.753 178.162 177.584 -0.292 0.000 1.055 147 A CA 0.476 52.324 52.037 -0.315 0.000 0.756 147 A CB -1.029 17.671 19.000 -0.499 0.000 0.986 147 A HN 0.854 nan 8.150 nan 0.000 0.505 148 H N -1.555 117.550 119.070 0.058 0.000 3.237 148 H HA -0.193 4.362 4.556 -0.001 0.000 0.231 148 H C 0.610 175.952 175.328 0.023 0.000 1.148 148 H CA 0.747 56.816 56.048 0.034 0.000 1.155 148 H CB -2.235 27.538 29.762 0.018 0.000 1.210 148 H HN 1.353 nan 8.280 nan 0.000 0.317 149 A N 1.341 124.206 122.820 0.076 0.000 2.477 149 A HA 0.458 4.778 4.320 -0.001 0.000 0.246 149 A C 0.777 178.436 177.584 0.124 0.000 1.078 149 A CA 0.203 52.261 52.037 0.036 0.000 0.770 149 A CB 0.649 19.568 19.000 -0.134 0.000 1.011 149 A HN 0.143 nan 8.150 nan 0.000 0.494 150 V N 1.912 121.858 119.914 0.053 0.000 2.398 150 V HA 0.694 4.814 4.120 -0.001 0.000 0.286 150 V C 0.502 176.627 176.094 0.052 0.000 1.026 150 V CA 0.283 62.605 62.300 0.036 0.000 0.868 150 V CB 0.950 32.699 31.823 -0.124 0.000 0.982 150 V HN 1.298 nan 8.190 nan 0.000 0.443 151 A N 4.296 127.240 122.820 0.207 0.000 2.566 151 A HA 0.987 5.307 4.320 -0.001 0.000 0.292 151 A C -0.882 176.920 177.584 0.363 0.000 1.112 151 A CA -0.568 51.660 52.037 0.317 0.000 0.707 151 A CB 2.348 21.697 19.000 0.582 0.000 1.302 151 A HN 1.504 nan 8.150 nan 0.000 0.409 152 V N -2.486 117.564 119.914 0.227 0.000 2.789 152 V HA 0.969 5.088 4.120 -0.001 0.000 0.311 152 V C -0.298 175.649 176.094 -0.244 0.000 1.073 152 V CA -0.287 62.035 62.300 0.037 0.000 0.921 152 V CB 1.246 33.099 31.823 0.049 0.000 1.009 152 V HN 2.197 nan 8.190 nan 0.000 0.426 153 A N 2.947 125.358 122.820 -0.682 0.000 2.446 153 A HA 0.907 5.227 4.320 -0.001 0.000 0.282 153 A C 0.676 177.919 177.584 -0.569 0.000 1.102 153 A CA 0.275 51.823 52.037 -0.815 0.000 0.737 153 A CB 0.752 18.746 19.000 -1.676 0.000 1.212 153 A HN 2.771 nan 8.150 nan 0.000 0.434 154 G N 0.748 109.356 108.800 -0.320 0.000 2.622 154 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.307 154 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.307 154 G C 1.288 176.090 174.900 -0.163 0.000 1.226 154 G CA 1.039 46.009 45.100 -0.217 0.000 0.997 154 G HN 1.894 nan 8.290 nan 0.000 0.551 155 V N 2.311 122.137 119.914 -0.147 0.000 3.573 155 V HA 0.255 4.375 4.120 -0.001 0.000 0.270 155 V C 1.181 177.266 176.094 -0.015 0.000 1.221 155 V CA 2.345 64.606 62.300 -0.066 0.000 1.163 155 V CB -0.396 31.386 31.823 -0.068 0.000 0.847 155 V HN 0.533 nan 8.190 nan 0.000 0.468 156 Q N -0.185 119.544 119.800 -0.119 0.000 2.257 156 Q HA 0.484 4.824 4.340 -0.001 0.000 0.262 156 Q C -0.465 175.524 176.000 -0.018 0.000 0.997 156 Q CA -0.201 55.583 55.803 -0.032 0.000 0.873 156 Q CB 2.125 30.784 28.738 -0.132 0.000 1.312 156 Q HN 0.293 nan 8.270 nan 0.000 0.450 157 T N -0.370 114.328 114.554 0.239 0.000 2.906 157 T HA 0.840 5.189 4.350 -0.001 0.000 0.295 157 T C -0.978 174.083 174.700 0.602 0.000 1.075 157 T CA -0.386 61.916 62.100 0.337 0.000 1.005 157 T CB 1.690 70.625 68.868 0.111 0.000 1.136 157 T HN 0.764 nan 8.240 nan 0.000 0.498 158 G N 1.315 110.480 108.800 0.609 0.000 2.660 158 G HA2 0.660 4.620 3.960 -0.001 0.000 0.290 158 G HA3 0.660 4.620 3.960 -0.001 0.000 0.290 158 G C -1.896 173.034 174.900 0.050 0.000 1.432 158 G CA -0.673 44.670 45.100 0.405 0.000 0.807 158 G HN 0.824 nan 8.290 nan 0.000 0.485 159 I N 0.590 120.926 120.570 -0.390 0.000 2.439 159 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 159 I C -1.059 174.529 176.117 -0.883 0.000 1.021 159 I CA -0.726 60.374 61.300 -0.333 0.000 1.091 159 I CB 1.983 39.935 38.000 -0.081 0.000 1.242 159 I HN 0.422 nan 8.210 nan 0.000 0.439 160 Y N 7.535 127.475 120.300 -0.600 0.000 2.480 160 Y HA 0.148 4.698 4.550 -0.001 0.000 0.341 160 Y C -1.525 174.228 175.900 -0.246 0.000 1.031 160 Y CA -1.349 56.482 58.100 -0.449 0.000 1.295 160 Y CB 0.527 38.915 38.460 -0.120 0.000 1.162 160 Y HN 0.456 nan 8.280 nan 0.000 0.523 161 P HA -0.001 nan 4.420 nan 0.000 0.224 161 P C -0.427 176.873 177.300 0.000 0.000 1.157 161 P CA 1.095 64.217 63.100 0.037 0.000 0.799 161 P CB 0.780 32.555 31.700 0.126 0.000 0.809 162 L N -1.889 119.363 121.223 0.047 0.000 2.359 162 L HA 0.506 4.845 4.340 -0.001 0.000 0.256 162 L C -2.678 174.231 176.870 0.066 0.000 1.026 162 L CA -2.952 51.910 54.840 0.036 0.000 0.828 162 L CB 2.366 44.486 42.059 0.102 0.000 1.406 162 L HN -0.409 nan 8.230 nan 0.000 0.413 163 P HA 0.161 nan 4.420 nan 0.000 0.267 163 P C -1.194 176.168 177.300 0.103 0.000 1.205 163 P CA -0.057 63.069 63.100 0.043 0.000 0.765 163 P CB 0.902 32.614 31.700 0.019 0.000 0.828 164 S N 2.262 118.043 115.700 0.135 0.000 2.595 164 S HA 0.651 5.121 4.470 -0.001 0.000 0.270 164 S C -3.322 171.378 174.600 0.166 0.000 1.145 164 S CA -1.721 56.587 58.200 0.179 0.000 0.825 164 S CB 1.050 64.413 63.200 0.272 0.000 1.107 164 S HN 0.023 nan 8.310 nan 0.000 0.461 165 P HA 0.603 nan 4.420 nan 0.000 0.275 165 P C -0.055 177.355 177.300 0.183 0.000 1.228 165 P CA 0.205 63.389 63.100 0.140 0.000 0.786 165 P CB 0.758 32.540 31.700 0.137 0.000 0.927 166 G N 0.021 108.903 108.800 0.137 0.000 2.616 166 G HA2 0.475 4.435 3.960 -0.001 0.000 0.294 166 G HA3 0.475 4.435 3.960 -0.001 0.000 0.294 166 G C -0.290 174.708 174.900 0.163 0.000 1.489 166 G CA -0.391 44.804 45.100 0.158 0.000 0.836 166 G HN 0.503 nan 8.290 nan 0.000 0.527 167 G N -0.820 108.126 108.800 0.243 0.000 3.519 167 G HA2 0.367 4.327 3.960 -0.001 0.000 0.269 167 G HA3 0.367 4.327 3.960 -0.001 0.000 0.269 167 G C -0.047 175.076 174.900 0.371 0.000 1.028 167 G CA -0.430 44.823 45.100 0.255 0.000 0.809 167 G HN 0.362 nan 8.290 nan 0.000 0.521 168 W N 1.448 122.816 121.300 0.112 0.000 2.126 168 W HA 0.335 4.995 4.660 -0.001 0.000 0.346 168 W C 0.278 176.846 176.519 0.080 0.000 1.279 168 W CA -1.211 56.202 57.345 0.114 0.000 1.259 168 W CB 0.256 29.848 29.460 0.220 0.000 1.133 168 W HN -0.063 nan 8.180 nan 0.000 0.592 169 N N 2.952 121.795 118.700 0.239 0.000 2.411 169 N HA 0.154 4.893 4.740 -0.001 0.000 0.259 169 N C -0.668 174.918 175.510 0.127 0.000 1.103 169 N CA -0.199 52.927 53.050 0.127 0.000 0.954 169 N CB 0.576 39.093 38.487 0.051 0.000 1.085 169 N HN 0.137 nan 8.380 nan 0.000 0.485 170 L N 3.416 124.690 121.223 0.085 0.000 2.315 170 L HA 0.201 4.541 4.340 -0.001 0.000 0.283 170 L C 1.528 178.409 176.870 0.017 0.000 1.089 170 L CA -0.181 54.688 54.840 0.048 0.000 0.833 170 L CB 0.673 42.733 42.059 0.002 0.000 1.170 170 L HN 0.419 nan 8.230 nan 0.000 0.442 171 L N 2.845 124.062 121.223 -0.011 0.000 2.515 171 L HA 0.371 4.711 4.340 -0.001 0.000 0.223 171 L C 1.031 177.911 176.870 0.017 0.000 1.079 171 L CA 0.285 55.121 54.840 -0.006 0.000 0.857 171 L CB 0.282 42.289 42.059 -0.087 0.000 1.050 171 L HN 0.815 nan 8.230 nan 0.000 0.476 172 G N -1.036 107.716 108.800 -0.079 0.000 2.428 172 G HA2 0.379 4.339 3.960 -0.001 0.000 0.305 172 G HA3 0.379 4.339 3.960 -0.001 0.000 0.305 172 G C -1.428 173.400 174.900 -0.120 0.000 1.260 172 G CA -0.266 44.748 45.100 -0.144 0.000 0.853 172 G HN -0.241 nan 8.290 nan 0.000 0.480 173 T N 0.406 114.878 114.554 -0.135 0.000 2.881 173 T HA 0.593 4.942 4.350 -0.001 0.000 0.290 173 T C -0.141 174.527 174.700 -0.053 0.000 1.000 173 T CA -0.194 61.877 62.100 -0.047 0.000 0.978 173 T CB 1.527 70.386 68.868 -0.014 0.000 0.997 173 T HN 0.742 nan 8.240 nan 0.000 0.443 174 S N 2.277 117.991 115.700 0.023 0.000 2.549 174 S HA 0.259 4.728 4.470 -0.001 0.000 0.279 174 S C 1.122 175.699 174.600 -0.039 0.000 1.321 174 S CA -0.630 57.586 58.200 0.027 0.000 1.054 174 S CB 0.010 63.266 63.200 0.092 0.000 0.899 174 S HN 0.611 nan 8.310 nan 0.000 0.497 175 L N 4.735 125.929 121.223 -0.048 0.000 2.592 175 L HA 0.223 4.563 4.340 -0.001 0.000 0.227 175 L C 0.080 176.889 176.870 -0.101 0.000 1.127 175 L CA -0.226 54.567 54.840 -0.078 0.000 0.884 175 L CB -0.126 41.907 42.059 -0.044 0.000 1.065 175 L HN 0.542 nan 8.230 nan 0.000 0.457 176 V N -3.051 116.809 119.914 -0.089 0.000 2.769 176 V HA 0.791 4.911 4.120 -0.001 0.000 0.312 176 V C 0.064 176.096 176.094 -0.104 0.000 1.061 176 V CA -1.077 61.170 62.300 -0.089 0.000 0.931 176 V CB 1.602 33.403 31.823 -0.037 0.000 1.010 176 V HN 0.005 nan 8.190 nan 0.000 0.433 177 A N 3.231 125.988 122.820 -0.104 0.000 2.310 177 A HA 0.564 4.884 4.320 -0.001 0.000 0.300 177 A C 0.997 178.631 177.584 0.084 0.000 1.269 177 A CA 0.123 52.165 52.037 0.007 0.000 0.909 177 A CB 0.725 19.736 19.000 0.018 0.000 1.144 177 A HN 2.079 nan 8.150 nan 0.000 0.540 178 V N 0.977 120.983 119.914 0.153 0.000 3.041 178 V HA 0.091 4.211 4.120 -0.001 0.000 0.260 178 V C 0.418 176.641 176.094 0.214 0.000 1.105 178 V CA 1.038 63.423 62.300 0.142 0.000 1.125 178 V CB -1.278 30.614 31.823 0.115 0.000 0.730 178 V HN 0.779 nan 8.190 nan 0.000 0.479 179 Y N 0.925 121.260 120.300 0.059 0.000 2.373 179 Y HA 0.694 5.244 4.550 -0.001 0.000 0.336 179 Y C -1.556 174.323 175.900 -0.036 0.000 0.979 179 Y CA -1.881 56.209 58.100 -0.017 0.000 1.080 179 Y CB 1.905 40.381 38.460 0.026 0.000 1.190 179 Y HN 0.222 nan 8.280 nan 0.000 0.446 180 D N 8.521 128.483 120.400 -0.730 0.000 2.354 180 D HA 0.265 4.904 4.640 -0.001 0.000 0.230 180 D C -2.570 173.338 176.300 -0.653 0.000 1.361 180 D CA -1.749 51.883 54.000 -0.614 0.000 0.992 180 D CB 2.286 42.953 40.800 -0.222 0.000 1.409 180 D HN 0.343 nan 8.370 nan 0.000 0.573 181 P HA -0.036 nan 4.420 nan 0.000 0.242 181 P C 0.711 177.719 177.300 -0.486 0.000 1.197 181 P CA 0.487 63.199 63.100 -0.646 0.000 0.765 181 P CB 0.144 31.349 31.700 -0.825 0.000 0.936 182 H N -0.281 118.648 119.070 -0.235 0.000 2.551 182 H HA 0.117 4.673 4.556 -0.001 0.000 0.266 182 H C 1.310 176.590 175.328 -0.081 0.000 0.964 182 H CA 0.213 56.183 56.048 -0.131 0.000 1.180 182 H CB 0.516 30.205 29.762 -0.120 0.000 1.408 182 H HN 0.314 nan 8.280 nan 0.000 0.563 183 R N 1.094 121.589 120.500 -0.009 0.000 2.674 183 R HA 0.177 4.516 4.340 -0.001 0.000 0.266 183 R C 0.832 177.131 176.300 -0.001 0.000 1.016 183 R CA -0.551 55.546 56.100 -0.005 0.000 1.062 183 R CB 1.448 31.733 30.300 -0.024 0.000 1.142 183 R HN 0.004 nan 8.270 nan 0.000 0.517 184 E N 0.767 120.973 120.200 0.010 0.000 2.160 184 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 184 E C -0.436 176.175 176.600 0.019 0.000 0.991 184 E CA 1.186 57.597 56.400 0.018 0.000 0.810 184 E CB 0.222 29.932 29.700 0.016 0.000 0.742 184 E HN 0.637 nan 8.360 nan 0.000 0.466 185 T N 2.288 116.849 114.554 0.012 0.000 3.155 185 T HA 0.220 4.569 4.350 -0.001 0.000 0.384 185 T C -2.258 172.432 174.700 -0.016 0.000 1.351 185 T CA -1.390 60.728 62.100 0.030 0.000 1.198 185 T CB 1.593 70.488 68.868 0.045 0.000 1.106 185 T HN 0.047 nan 8.240 nan 0.000 0.564 186 P HA -0.007 nan 4.420 nan 0.000 0.218 186 P C -0.046 177.045 177.300 -0.349 0.000 1.148 186 P CA 0.839 63.736 63.100 -0.339 0.000 0.822 186 P CB 0.005 31.387 31.700 -0.529 0.000 0.784 187 F N -0.985 119.056 119.950 0.151 0.000 2.361 187 F HA 0.228 4.755 4.527 -0.001 0.000 0.364 187 F C 1.437 177.283 175.800 0.077 0.000 1.120 187 F CA -0.787 57.299 58.000 0.143 0.000 1.102 187 F CB 0.549 39.612 39.000 0.105 0.000 1.183 187 F HN -0.267 nan 8.300 nan 0.000 0.476 188 L N 3.496 124.840 121.223 0.202 0.000 2.093 188 L HA 0.083 4.422 4.340 -0.001 0.000 0.208 188 L C 0.131 177.062 176.870 0.102 0.000 1.085 188 L CA 1.806 56.715 54.840 0.114 0.000 0.755 188 L CB -0.121 41.983 42.059 0.076 0.000 0.904 188 L HN 0.424 nan 8.230 nan 0.000 0.435 189 L N -0.644 120.654 121.223 0.124 0.000 2.334 189 L HA 0.730 5.069 4.340 -0.001 0.000 0.273 189 L C 0.153 177.062 176.870 0.066 0.000 1.013 189 L CA -0.541 54.340 54.840 0.070 0.000 0.816 189 L CB 1.457 43.541 42.059 0.041 0.000 1.278 189 L HN -0.056 nan 8.230 nan 0.000 0.431 190 R N 2.019 122.536 120.500 0.029 0.000 2.837 190 R HA 0.794 5.134 4.340 -0.001 0.000 0.271 190 R C -2.951 173.342 176.300 -0.012 0.000 0.993 190 R CA -1.907 54.195 56.100 0.004 0.000 0.931 190 R CB 0.309 30.623 30.300 0.023 0.000 1.206 190 R HN 0.373 nan 8.270 nan 0.000 0.474 191 P HA 0.249 nan 4.420 nan 0.000 0.268 191 P C 0.849 178.120 177.300 -0.050 0.000 1.204 191 P CA 1.807 64.887 63.100 -0.034 0.000 0.768 191 P CB 1.117 32.806 31.700 -0.018 0.000 0.842 192 G N 1.709 110.455 108.800 -0.090 0.000 2.213 192 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.236 192 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.236 192 G C 0.024 174.880 174.900 -0.073 0.000 0.991 192 G CA -0.307 44.734 45.100 -0.097 0.000 0.629 192 G HN 0.498 nan 8.290 nan 0.000 0.517 193 D N 1.056 121.426 120.400 -0.049 0.000 2.382 193 D HA 0.472 5.111 4.640 -0.001 0.000 0.240 193 D C 0.912 177.193 176.300 -0.032 0.000 1.146 193 D CA 0.151 54.132 54.000 -0.032 0.000 0.897 193 D CB 0.500 41.290 40.800 -0.017 0.000 1.197 193 D HN 0.185 nan 8.370 nan 0.000 0.432 194 R N 0.675 121.163 120.500 -0.020 0.000 2.474 194 R HA 0.599 4.939 4.340 -0.001 0.000 0.295 194 R C -0.696 175.601 176.300 -0.004 0.000 0.980 194 R CA -0.887 55.213 56.100 -0.000 0.000 0.934 194 R CB 1.348 31.647 30.300 -0.002 0.000 1.101 194 R HN 0.134 nan 8.270 nan 0.000 0.469 195 V N 3.580 123.507 119.914 0.022 0.000 2.656 195 V HA 0.472 4.591 4.120 -0.001 0.000 0.307 195 V C -0.192 175.887 176.094 -0.025 0.000 1.051 195 V CA -0.923 61.332 62.300 -0.075 0.000 0.893 195 V CB 2.402 34.102 31.823 -0.206 0.000 0.999 195 V HN 0.500 nan 8.190 nan 0.000 0.426 196 R N 3.435 123.874 120.500 -0.102 0.000 2.409 196 R HA 0.502 4.842 4.340 -0.001 0.000 0.313 196 R C -1.292 174.969 176.300 -0.065 0.000 0.953 196 R CA -0.358 55.746 56.100 0.007 0.000 0.849 196 R CB 1.633 31.955 30.300 0.037 0.000 1.171 196 R HN 0.514 nan 8.270 nan 0.000 0.458 197 F N 3.849 123.914 119.950 0.192 0.000 2.384 197 F HA 0.371 4.897 4.527 -0.001 0.000 0.338 197 F C 0.586 176.515 175.800 0.215 0.000 1.103 197 F CA -0.710 57.411 58.000 0.201 0.000 1.157 197 F CB 0.822 40.000 39.000 0.297 0.000 1.167 197 F HN 0.285 nan 8.300 nan 0.000 0.529 198 L N -0.192 121.250 121.223 0.366 0.000 2.431 198 L HA 0.572 4.911 4.340 -0.001 0.000 0.266 198 L C -0.639 176.410 176.870 0.298 0.000 0.978 198 L CA -1.079 53.935 54.840 0.291 0.000 0.822 198 L CB 1.684 43.846 42.059 0.172 0.000 1.310 198 L HN 0.569 nan 8.230 nan 0.000 0.409 199 E N 1.832 122.240 120.200 0.346 0.000 2.376 199 E HA 0.567 4.917 4.350 -0.001 0.000 0.266 199 E C -0.653 176.054 176.600 0.179 0.000 1.009 199 E CA 0.190 56.797 56.400 0.344 0.000 0.902 199 E CB 0.798 30.703 29.700 0.342 0.000 0.972 199 E HN 0.976 nan 8.360 nan 0.000 0.439 200 A N 4.314 127.208 122.820 0.123 0.000 2.609 200 A HA 0.475 4.794 4.320 -0.001 0.000 0.291 200 A C -1.407 176.206 177.584 0.048 0.000 1.096 200 A CA -0.922 51.158 52.037 0.073 0.000 0.684 200 A CB 1.596 20.628 19.000 0.052 0.000 1.282 200 A HN 0.596 nan 8.150 nan 0.000 0.412 201 E N -0.147 120.075 120.200 0.036 0.000 2.202 201 E HA 0.752 5.102 4.350 -0.001 0.000 0.272 201 E C 0.104 176.710 176.600 0.009 0.000 0.951 201 E CA 0.176 56.590 56.400 0.024 0.000 0.813 201 E CB 1.890 31.606 29.700 0.027 0.000 1.151 201 E HN 1.628 nan 8.360 nan 0.000 0.398 202 G N 1.830 110.631 108.800 0.001 0.000 2.339 202 G HA2 0.209 4.169 3.960 -0.001 0.000 0.302 202 G HA3 0.209 4.169 3.960 -0.001 0.000 0.302 202 G C -2.966 171.925 174.900 -0.015 0.000 1.425 202 G CA -0.937 44.158 45.100 -0.008 0.000 0.899 202 G HN 0.364 nan 8.290 nan 0.000 0.619 203 P HA 0.377 nan 4.420 nan 0.000 0.274 203 P C 0.115 177.394 177.300 -0.034 0.000 1.231 203 P CA 0.049 63.137 63.100 -0.020 0.000 0.790 203 P CB 0.719 32.407 31.700 -0.020 0.000 0.951 204 T N 3.985 118.526 114.554 -0.021 0.000 2.888 204 T HA 0.194 4.544 4.350 -0.001 0.000 0.301 204 T C -1.969 172.697 174.700 -0.058 0.000 1.001 204 T CA -0.355 61.732 62.100 -0.021 0.000 1.147 204 T CB -0.652 68.239 68.868 0.037 0.000 0.931 204 T HN 0.372 nan 8.240 nan 0.000 0.541 205 P HA 0.203 nan 4.420 nan 0.000 0.269 205 P C -2.273 174.999 177.300 -0.045 0.000 1.215 205 P CA -1.339 61.620 63.100 -0.234 0.000 0.780 205 P CB -0.361 31.007 31.700 -0.554 0.000 0.898 206 P HA 0.046 nan 4.420 nan 0.000 0.270 206 P C -0.341 177.092 177.300 0.222 0.000 1.223 206 P CA 0.124 63.275 63.100 0.085 0.000 0.785 206 P CB 0.571 32.288 31.700 0.027 0.000 0.923 207 E N 1.732 122.033 120.200 0.168 0.000 2.373 207 E HA 0.148 4.498 4.350 -0.001 0.000 0.267 207 E C -1.904 174.756 176.600 0.101 0.000 1.032 207 E CA -1.532 54.949 56.400 0.135 0.000 0.889 207 E CB -0.517 29.218 29.700 0.059 0.000 0.984 207 E HN 0.352 nan 8.360 nan 0.000 0.425 208 P HA -0.095 nan 4.420 nan 0.000 0.260 208 P C -0.745 176.594 177.300 0.065 0.000 1.172 208 P CA 0.534 63.664 63.100 0.051 0.000 0.760 208 P CB 0.270 31.977 31.700 0.012 0.000 0.773 209 R N 4.023 124.572 120.500 0.081 0.000 2.459 209 R HA 0.528 4.867 4.340 -0.001 0.000 0.281 209 R C -2.616 173.826 176.300 0.236 0.000 1.050 209 R CA -2.280 53.883 56.100 0.105 0.000 1.055 209 R CB -0.452 29.844 30.300 -0.007 0.000 1.045 209 R HN 0.219 nan 8.270 nan 0.000 0.495 210 P HA -0.069 nan 4.420 nan 0.000 0.265 210 P C -0.871 176.460 177.300 0.053 0.000 1.193 210 P CA -0.269 62.867 63.100 0.059 0.000 0.765 210 P CB 0.414 32.140 31.700 0.043 0.000 0.823 211 L N 3.223 124.331 121.223 -0.192 0.000 2.283 211 L HA 0.273 4.613 4.340 -0.001 0.000 0.287 211 L C 0.268 177.037 176.870 -0.167 0.000 1.073 211 L CA -0.529 54.122 54.840 -0.316 0.000 0.822 211 L CB 0.043 41.728 42.059 -0.623 0.000 1.186 211 L HN 0.216 nan 8.230 nan 0.000 0.436 212 E N 3.579 123.740 120.200 -0.065 0.000 2.324 212 E HA 0.119 4.468 4.350 -0.001 0.000 0.271 212 E C 0.279 176.839 176.600 -0.067 0.000 1.028 212 E CA 0.439 56.798 56.400 -0.068 0.000 0.890 212 E CB 0.660 30.348 29.700 -0.021 0.000 1.004 212 E HN 0.739 nan 8.360 nan 0.000 0.431 213 L N 3.763 124.943 121.223 -0.073 0.000 2.408 213 L HA 0.201 4.541 4.340 -0.001 0.000 0.215 213 L C 0.395 177.251 176.870 -0.023 0.000 1.081 213 L CA -0.103 54.715 54.840 -0.037 0.000 0.840 213 L CB -0.076 41.965 42.059 -0.029 0.000 1.002 213 L HN 0.440 nan 8.230 nan 0.000 0.468 214 L N 2.679 123.878 121.223 -0.040 0.000 2.319 214 L HA 0.251 4.591 4.340 -0.001 0.000 0.280 214 L C -1.940 174.923 176.870 -0.013 0.000 1.099 214 L CA -1.856 52.968 54.840 -0.027 0.000 0.828 214 L CB 0.361 42.394 42.059 -0.044 0.000 1.150 214 L HN -0.149 nan 8.230 nan 0.000 0.442 215 P HA 0.097 nan 4.420 nan 0.000 0.271 215 P C 0.318 177.624 177.300 0.009 0.000 1.216 215 P CA -0.078 63.026 63.100 0.006 0.000 0.776 215 P CB 0.836 32.540 31.700 0.006 0.000 0.881 216 E N 2.145 122.354 120.200 0.016 0.000 2.208 216 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 216 E C 0.632 177.243 176.600 0.018 0.000 0.988 216 E CA 1.058 57.472 56.400 0.023 0.000 0.828 216 E CB -0.397 29.320 29.700 0.028 0.000 0.763 216 E HN 0.714 nan 8.360 nan 0.000 0.478 217 E N 0.761 120.968 120.200 0.012 0.000 2.593 217 E HA 0.280 4.629 4.350 -0.001 0.000 0.232 217 E C -2.677 173.925 176.600 0.004 0.000 1.026 217 E CA -2.001 54.404 56.400 0.008 0.000 0.772 217 E CB 1.689 31.394 29.700 0.008 0.000 1.310 217 E HN 0.218 nan 8.360 nan 0.000 0.413 218 P HA 0.053 nan 4.420 nan 0.000 0.268 218 P C 0.426 177.723 177.300 -0.005 0.000 1.205 218 P CA -0.089 63.010 63.100 -0.002 0.000 0.771 218 P CB 0.865 32.561 31.700 -0.007 0.000 0.858 219 R N 1.604 122.101 120.500 -0.005 0.000 2.115 219 R HA 0.009 4.349 4.340 -0.001 0.000 0.230 219 R C 0.386 176.679 176.300 -0.011 0.000 1.111 219 R CA 1.021 57.117 56.100 -0.006 0.000 0.976 219 R CB -0.282 30.016 30.300 -0.004 0.000 0.870 219 R HN 0.438 nan 8.270 nan 0.000 0.445 220 L N 1.250 122.464 121.223 -0.015 0.000 2.529 220 L HA 0.341 4.680 4.340 -0.001 0.000 0.246 220 L C -2.490 174.360 176.870 -0.033 0.000 1.394 220 L CA -2.121 52.706 54.840 -0.023 0.000 0.906 220 L CB 1.661 43.707 42.059 -0.022 0.000 1.170 220 L HN -0.274 nan 8.230 nan 0.000 0.501 221 P HA -0.056 nan 4.420 nan 0.000 0.258 221 P C 0.304 177.562 177.300 -0.070 0.000 1.172 221 P CA 0.487 63.561 63.100 -0.043 0.000 0.762 221 P CB 1.297 32.975 31.700 -0.037 0.000 0.764 222 A N 4.318 127.086 122.820 -0.086 0.000 1.999 222 A HA 0.392 4.712 4.320 -0.001 0.000 0.200 222 A C 0.352 177.807 177.584 -0.216 0.000 1.363 222 A CA 0.883 52.836 52.037 -0.139 0.000 0.844 222 A CB -0.149 18.784 19.000 -0.112 0.000 0.954 222 A HN 0.530 nan 8.150 nan 0.000 0.481 223 L N -3.348 117.782 121.223 -0.157 0.000 2.582 223 L HA 0.726 5.065 4.340 -0.001 0.000 0.257 223 L C -1.162 175.671 176.870 -0.063 0.000 0.974 223 L CA -0.537 54.200 54.840 -0.172 0.000 0.851 223 L CB 1.688 43.617 42.059 -0.216 0.000 1.424 223 L HN 0.085 nan 8.230 nan 0.000 0.412 224 L N 2.261 123.463 121.223 -0.035 0.000 2.322 224 L HA 0.700 5.039 4.340 -0.001 0.000 0.281 224 L C -0.881 176.017 176.870 0.048 0.000 1.014 224 L CA -1.043 53.803 54.840 0.010 0.000 0.815 224 L CB 1.986 44.049 42.059 0.006 0.000 1.247 224 L HN 0.648 nan 8.230 nan 0.000 0.421 225 V N 5.691 125.642 119.914 0.060 0.000 2.372 225 V HA 0.121 4.241 4.120 -0.001 0.000 0.261 225 V C 0.977 177.114 176.094 0.072 0.000 1.055 225 V CA -0.283 62.063 62.300 0.078 0.000 0.930 225 V CB 0.611 32.486 31.823 0.086 0.000 1.031 225 V HN 0.817 nan 8.190 nan 0.000 0.479 226 E N 3.454 123.693 120.200 0.066 0.000 2.051 226 E HA -0.005 4.345 4.350 -0.001 0.000 0.189 226 E C 0.219 176.850 176.600 0.052 0.000 0.979 226 E CA 0.871 57.302 56.400 0.053 0.000 0.803 226 E CB 0.517 30.244 29.700 0.046 0.000 0.761 226 E HN 0.788 nan 8.360 nan 0.000 0.451 227 E N 0.646 120.879 120.200 0.054 0.000 2.308 227 E HA 0.289 4.639 4.350 -0.001 0.000 0.275 227 E C -2.629 174.007 176.600 0.061 0.000 0.890 227 E CA -2.097 54.335 56.400 0.054 0.000 0.754 227 E CB 2.683 32.406 29.700 0.039 0.000 1.207 227 E HN -0.057 nan 8.360 nan 0.000 0.426 228 P HA 0.134 nan 4.420 nan 0.000 0.276 228 P C -0.073 177.260 177.300 0.055 0.000 1.252 228 P CA -0.177 62.971 63.100 0.080 0.000 0.802 228 P CB 0.971 32.750 31.700 0.131 0.000 1.035 229 G N 0.314 109.134 108.800 0.033 0.000 2.535 229 G HA2 0.187 4.146 3.960 -0.001 0.000 0.282 229 G HA3 0.187 4.146 3.960 -0.001 0.000 0.282 229 G C 0.811 175.760 174.900 0.082 0.000 1.350 229 G CA -0.591 44.531 45.100 0.037 0.000 1.039 229 G HN 0.508 nan 8.290 nan 0.000 0.509 230 L N -1.031 120.259 121.223 0.113 0.000 2.012 230 L HA 0.224 4.563 4.340 -0.001 0.000 0.210 230 L C 1.487 178.420 176.870 0.106 0.000 1.073 230 L CA 1.681 56.590 54.840 0.115 0.000 0.748 230 L CB -0.052 42.096 42.059 0.148 0.000 0.891 230 L HN 0.438 nan 8.230 nan 0.000 0.431 231 M N 0.296 119.965 119.600 0.115 0.000 2.297 231 M HA 0.196 4.676 4.480 -0.001 0.000 0.241 231 M C -1.720 174.625 176.300 0.075 0.000 1.106 231 M CA -0.470 54.883 55.300 0.088 0.000 0.809 231 M CB 0.354 33.007 32.600 0.089 0.000 2.236 231 M HN -0.032 nan 8.290 nan 0.000 0.362 232 D N 4.296 124.733 120.400 0.062 0.000 2.317 232 D HA 0.406 5.046 4.640 -0.001 0.000 0.252 232 D C -0.568 175.746 176.300 0.024 0.000 1.174 232 D CA 0.295 54.330 54.000 0.058 0.000 0.866 232 D CB 1.312 42.141 40.800 0.049 0.000 1.127 232 D HN 0.536 nan 8.370 nan 0.000 0.467 233 L N 1.726 122.963 121.223 0.023 0.000 2.385 233 L HA 0.336 4.676 4.340 -0.001 0.000 0.273 233 L C -0.214 176.673 176.870 0.028 0.000 0.990 233 L CA -1.221 53.624 54.840 0.009 0.000 0.821 233 L CB 2.287 44.352 42.059 0.009 0.000 1.279 233 L HN -0.012 nan 8.230 nan 0.000 0.412 234 V N 4.086 124.012 119.914 0.020 0.000 2.427 234 V HA 0.282 4.401 4.120 -0.001 0.000 0.268 234 V C 0.124 176.243 176.094 0.042 0.000 1.046 234 V CA -0.405 61.918 62.300 0.039 0.000 0.970 234 V CB 1.252 33.088 31.823 0.022 0.000 1.001 234 V HN 0.517 nan 8.190 nan 0.000 0.476 235 V N 2.105 122.060 119.914 0.068 0.000 2.735 235 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 235 V C -0.526 175.607 176.094 0.065 0.000 1.061 235 V CA -0.845 61.494 62.300 0.065 0.000 0.913 235 V CB 2.057 33.934 31.823 0.089 0.000 1.005 235 V HN 0.763 nan 8.190 nan 0.000 0.428 236 D N 3.126 123.555 120.400 0.049 0.000 2.560 236 D HA 0.453 5.092 4.640 -0.001 0.000 0.277 236 D C 1.456 177.787 176.300 0.051 0.000 1.194 236 D CA 0.197 54.228 54.000 0.051 0.000 1.092 236 D CB 0.624 41.458 40.800 0.056 0.000 1.169 236 D HN 0.706 nan 8.370 nan 0.000 0.607 237 G N -1.920 106.929 108.800 0.082 0.000 2.462 237 G HA2 0.334 4.294 3.960 -0.001 0.000 0.220 237 G HA3 0.334 4.294 3.960 -0.001 0.000 0.220 237 G C 0.860 175.804 174.900 0.073 0.000 1.121 237 G CA 0.791 45.967 45.100 0.126 0.000 0.758 237 G HN 1.038 nan 8.290 nan 0.000 0.559 238 G N -1.644 107.130 108.800 -0.043 0.000 2.351 238 G HA2 0.241 4.201 3.960 -0.001 0.000 0.353 238 G HA3 0.241 4.201 3.960 -0.001 0.000 0.353 238 G C -1.028 173.587 174.900 -0.476 0.000 1.358 238 G CA -0.429 44.469 45.100 -0.337 0.000 0.995 238 G HN 0.454 nan 8.290 nan 0.000 0.611 239 R N -0.014 120.183 120.500 -0.505 0.000 2.229 239 R HA 0.685 5.025 4.340 -0.001 0.000 0.332 239 R C -0.861 175.165 176.300 -0.456 0.000 0.989 239 R CA -0.563 55.348 56.100 -0.316 0.000 0.842 239 R CB 0.240 30.474 30.300 -0.110 0.000 1.119 239 R HN 0.298 nan 8.270 nan 0.000 0.456 240 F N 4.556 124.514 119.950 0.013 0.000 2.483 240 F HA 0.367 4.894 4.527 -0.001 0.000 0.329 240 F C 0.921 176.731 175.800 0.016 0.000 1.064 240 F CA -0.890 57.115 58.000 0.009 0.000 0.986 240 F CB 1.270 40.269 39.000 -0.001 0.000 1.218 240 F HN 0.419 nan 8.300 nan 0.000 0.484 241 L N 1.190 122.543 121.223 0.218 0.000 3.843 241 L HA -0.249 4.091 4.340 -0.001 0.000 0.411 241 L C 0.930 177.911 176.870 0.185 0.000 1.205 241 L CA 0.724 55.660 54.840 0.160 0.000 0.945 241 L CB -1.837 40.294 42.059 0.119 0.000 1.929 241 L HN 0.983 nan 8.230 nan 0.000 0.934 242 G N -1.401 107.461 108.800 0.103 0.000 3.228 242 G HA2 0.353 4.312 3.960 -0.001 0.000 0.245 242 G HA3 0.353 4.312 3.960 -0.001 0.000 0.245 242 G C 1.165 175.994 174.900 -0.119 0.000 1.051 242 G CA 0.482 45.566 45.100 -0.028 0.000 0.809 242 G HN 0.441 nan 8.290 nan 0.000 0.531 243 G N 1.195 110.000 108.800 0.009 0.000 2.448 243 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.219 243 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.219 243 G C 1.562 176.435 174.900 -0.045 0.000 1.127 243 G CA 1.242 46.332 45.100 -0.016 0.000 0.766 243 G HN 0.629 nan 8.290 nan 0.000 0.552 244 H N 0.072 119.092 119.070 -0.083 0.000 2.546 244 H HA 0.150 4.706 4.556 -0.001 0.000 0.277 244 H C 1.751 176.959 175.328 -0.201 0.000 1.004 244 H CA 0.499 56.484 56.048 -0.106 0.000 1.231 244 H CB -0.281 29.432 29.762 -0.082 0.000 1.382 244 H HN 0.387 nan 8.280 nan 0.000 0.580 245 L N -0.357 120.412 121.223 -0.757 0.000 2.664 245 L HA 0.314 4.653 4.340 -0.001 0.000 0.233 245 L C 1.446 177.973 176.870 -0.570 0.000 1.113 245 L CA 0.402 54.719 54.840 -0.871 0.000 0.896 245 L CB 0.620 41.930 42.059 -1.248 0.000 1.163 245 L HN 0.507 nan 8.230 nan 0.000 0.497 246 G N 0.823 109.421 108.800 -0.336 0.000 2.144 246 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 246 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 246 G C 0.006 174.812 174.900 -0.157 0.000 0.988 246 G CA -0.439 44.527 45.100 -0.224 0.000 0.659 246 G HN 0.161 nan 8.290 nan 0.000 0.522 247 L N 1.330 122.473 121.223 -0.133 0.000 2.265 247 L HA 0.682 5.022 4.340 -0.001 0.000 0.288 247 L C 1.169 178.003 176.870 -0.060 0.000 1.058 247 L CA -0.284 54.530 54.840 -0.044 0.000 0.809 247 L CB 1.351 43.424 42.059 0.024 0.000 1.179 247 L HN 0.343 nan 8.230 nan 0.000 0.429 248 A N 2.962 125.747 122.820 -0.057 0.000 2.406 248 A HA 0.145 4.464 4.320 -0.001 0.000 0.243 248 A C 1.248 178.779 177.584 -0.089 0.000 1.082 248 A CA -0.222 51.773 52.037 -0.070 0.000 0.786 248 A CB 0.390 19.352 19.000 -0.062 0.000 1.029 248 A HN 0.856 nan 8.150 nan 0.000 0.495 249 R N 1.306 121.741 120.500 -0.108 0.000 2.091 249 R HA -0.060 4.280 4.340 -0.001 0.000 0.238 249 R C 1.318 177.498 176.300 -0.199 0.000 1.136 249 R CA 2.000 57.984 56.100 -0.194 0.000 0.959 249 R CB -0.875 29.337 30.300 -0.146 0.000 0.856 249 R HN 1.322 nan 8.270 nan 0.000 0.437 250 S N -3.025 112.611 115.700 -0.107 0.000 3.469 250 S HA -0.123 4.347 4.470 -0.001 0.000 0.628 250 S C 0.660 175.216 174.600 -0.074 0.000 2.687 250 S CA 2.376 60.534 58.200 -0.069 0.000 3.829 250 S CB -1.637 61.530 63.200 -0.056 0.000 0.258 250 S HN 1.597 nan 8.310 nan 0.000 1.222 251 G N 0.570 109.343 108.800 -0.046 0.000 2.693 251 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.226 251 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.226 251 G C -2.932 171.996 174.900 0.048 0.000 1.354 251 G CA -0.005 45.088 45.100 -0.012 0.000 0.873 251 G HN 1.108 nan 8.290 nan 0.000 0.562 252 P HA 0.357 nan 4.420 nan 0.000 0.280 252 P C 0.825 178.210 177.300 0.141 0.000 1.244 252 P CA -0.447 62.749 63.100 0.160 0.000 0.784 252 P CB 1.439 33.144 31.700 0.008 0.000 0.913 253 L N 1.952 123.303 121.223 0.214 0.000 2.217 253 L HA 0.052 4.392 4.340 -0.001 0.000 0.211 253 L C 0.659 177.638 176.870 0.182 0.000 1.107 253 L CA 1.758 56.694 54.840 0.160 0.000 0.783 253 L CB -0.584 41.557 42.059 0.138 0.000 0.919 253 L HN 0.341 nan 8.230 nan 0.000 0.442 254 D N -1.195 119.359 120.400 0.257 0.000 2.458 254 D HA 0.341 4.981 4.640 -0.001 0.000 0.258 254 D C 0.946 177.220 176.300 -0.043 0.000 1.134 254 D CA 0.391 54.517 54.000 0.210 0.000 0.915 254 D CB 1.265 42.291 40.800 0.377 0.000 1.028 254 D HN 0.118 nan 8.370 nan 0.000 0.508 255 A N 4.591 127.397 122.820 -0.022 0.000 1.898 255 A HA 0.031 4.351 4.320 -0.001 0.000 0.216 255 A C -0.561 176.912 177.584 -0.185 0.000 1.181 255 A CA 0.880 52.848 52.037 -0.115 0.000 0.620 255 A CB -0.997 17.984 19.000 -0.031 0.000 0.819 255 A HN 0.460 nan 8.150 nan 0.000 0.442 256 P HA -0.101 nan 4.420 nan 0.000 0.216 256 P C 1.686 178.839 177.300 -0.246 0.000 1.150 256 P CA 1.791 64.764 63.100 -0.212 0.000 0.837 256 P CB -0.105 31.419 31.700 -0.293 0.000 0.786 257 S N -0.450 115.097 115.700 -0.255 0.000 2.355 257 S HA -0.121 4.349 4.470 -0.001 0.000 0.222 257 S C 2.080 176.402 174.600 -0.462 0.000 1.031 257 S CA 1.341 59.366 58.200 -0.292 0.000 0.993 257 S CB -1.116 61.998 63.200 -0.143 0.000 0.859 257 S HN 0.140 nan 8.310 nan 0.000 0.453 258 A N 2.128 124.459 122.820 -0.814 0.000 1.883 258 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 258 A C 2.156 179.559 177.584 -0.301 0.000 1.186 258 A CA 1.439 53.052 52.037 -0.706 0.000 0.624 258 A CB -0.521 18.046 19.000 -0.721 0.000 0.822 258 A HN 0.417 nan 8.150 nan 0.000 0.444 259 R N -1.241 119.107 120.500 -0.254 0.000 2.081 259 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 259 R C 2.145 178.344 176.300 -0.168 0.000 1.131 259 R CA 1.393 57.389 56.100 -0.173 0.000 0.960 259 R CB -0.644 29.560 30.300 -0.159 0.000 0.856 259 R HN 0.501 nan 8.270 nan 0.000 0.436 260 L N 1.033 122.141 121.223 -0.193 0.000 2.012 260 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 260 L C 2.289 179.090 176.870 -0.116 0.000 1.073 260 L CA 2.075 56.810 54.840 -0.174 0.000 0.748 260 L CB -0.824 41.138 42.059 -0.162 0.000 0.891 260 L HN 0.135 nan 8.230 nan 0.000 0.431 261 A N -0.403 122.358 122.820 -0.098 0.000 1.883 261 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 261 A C 2.170 179.747 177.584 -0.012 0.000 1.186 261 A CA 2.033 54.058 52.037 -0.021 0.000 0.624 261 A CB -0.888 18.136 19.000 0.040 0.000 0.822 261 A HN 0.635 nan 8.150 nan 0.000 0.444 262 N N -0.398 118.282 118.700 -0.034 0.000 2.120 262 N HA -0.124 4.615 4.740 -0.001 0.000 0.188 262 N C 1.882 177.367 175.510 -0.042 0.000 1.024 262 N CA 1.393 54.427 53.050 -0.026 0.000 0.852 262 N CB -0.388 38.079 38.487 -0.032 0.000 1.003 262 N HN 0.520 nan 8.380 nan 0.000 0.424 263 R N 0.536 120.992 120.500 -0.072 0.000 2.096 263 R HA 0.036 4.375 4.340 -0.001 0.000 0.235 263 R C 2.208 178.470 176.300 -0.064 0.000 1.127 263 R CA 0.642 56.691 56.100 -0.085 0.000 0.968 263 R CB -0.288 29.927 30.300 -0.141 0.000 0.861 263 R HN 0.203 nan 8.270 nan 0.000 0.440 264 L N 0.515 121.709 121.223 -0.049 0.000 2.265 264 L HA -0.094 4.246 4.340 -0.001 0.000 0.215 264 L C 1.726 178.589 176.870 -0.011 0.000 1.117 264 L CA 0.696 55.527 54.840 -0.016 0.000 0.782 264 L CB -0.042 42.024 42.059 0.012 0.000 0.914 264 L HN 0.163 nan 8.230 nan 0.000 0.441 265 V N -4.380 115.523 119.914 -0.018 0.000 3.319 265 V HA 0.538 4.658 4.120 -0.001 0.000 0.317 265 V C 1.147 177.231 176.094 -0.017 0.000 1.411 265 V CA 0.233 62.522 62.300 -0.020 0.000 1.112 265 V CB -0.079 31.730 31.823 -0.023 0.000 1.031 265 V HN 0.385 nan 8.190 nan 0.000 0.448 266 G N 1.007 109.794 108.800 -0.022 0.000 2.143 266 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.249 266 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.249 266 G C -0.050 174.837 174.900 -0.022 0.000 0.981 266 G CA 0.279 45.366 45.100 -0.022 0.000 0.665 266 G HN 0.623 nan 8.290 nan 0.000 0.528 267 N N 0.677 119.364 118.700 -0.021 0.000 2.463 267 N HA 0.531 5.271 4.740 -0.001 0.000 0.270 267 N C 1.032 176.527 175.510 -0.026 0.000 1.205 267 N CA 0.440 53.480 53.050 -0.017 0.000 0.974 267 N CB 0.493 38.975 38.487 -0.009 0.000 1.197 267 N HN 0.497 nan 8.380 nan 0.000 0.504 268 G N -0.687 108.101 108.800 -0.021 0.000 2.484 268 G HA2 0.260 4.220 3.960 -0.001 0.000 0.235 268 G HA3 0.260 4.220 3.960 -0.001 0.000 0.235 268 G C 0.976 175.859 174.900 -0.029 0.000 1.282 268 G CA 0.120 45.205 45.100 -0.025 0.000 0.857 268 G HN 0.615 nan 8.290 nan 0.000 0.571 269 A N 1.441 124.236 122.820 -0.041 0.000 1.972 269 A HA 0.083 4.402 4.320 -0.001 0.000 0.219 269 A C 2.333 179.896 177.584 -0.035 0.000 1.169 269 A CA 2.033 54.038 52.037 -0.053 0.000 0.635 269 A CB -0.269 18.692 19.000 -0.066 0.000 0.810 269 A HN 1.152 nan 8.150 nan 0.000 0.446 270 G N -1.184 107.610 108.800 -0.009 0.000 3.189 270 G HA2 0.438 4.397 3.960 -0.001 0.000 0.225 270 G HA3 0.438 4.397 3.960 -0.001 0.000 0.225 270 G C 0.585 175.501 174.900 0.026 0.000 1.159 270 G CA 0.502 45.613 45.100 0.018 0.000 0.763 270 G HN 0.739 nan 8.290 nan 0.000 0.549 271 A N 1.034 123.863 122.820 0.015 0.000 2.520 271 A HA 0.465 4.784 4.320 -0.001 0.000 0.235 271 A C -2.160 175.444 177.584 0.035 0.000 1.065 271 A CA -0.631 51.419 52.037 0.022 0.000 0.764 271 A CB 0.100 19.108 19.000 0.014 0.000 1.002 271 A HN 0.156 nan 8.150 nan 0.000 0.502 272 P HA 0.312 nan 4.420 nan 0.000 0.267 272 P C -0.872 176.467 177.300 0.065 0.000 1.209 272 P CA 0.242 63.373 63.100 0.051 0.000 0.763 272 P CB 0.415 32.141 31.700 0.043 0.000 0.816 273 L N 2.200 123.476 121.223 0.089 0.000 2.301 273 L HA 0.720 5.059 4.340 -0.001 0.000 0.249 273 L C -1.142 175.817 176.870 0.149 0.000 1.069 273 L CA -1.381 53.535 54.840 0.126 0.000 0.865 273 L CB -0.160 41.984 42.059 0.143 0.000 1.467 273 L HN 0.025 nan 8.230 nan 0.000 0.419 274 L N 1.108 122.441 121.223 0.184 0.000 2.275 274 L HA 0.551 4.891 4.340 -0.001 0.000 0.288 274 L C -0.022 176.918 176.870 0.118 0.000 1.046 274 L CA 0.262 55.204 54.840 0.169 0.000 0.805 274 L CB 0.660 42.848 42.059 0.215 0.000 1.193 274 L HN 0.886 nan 8.230 nan 0.000 0.426 275 E N 4.727 124.924 120.200 -0.004 0.000 2.191 275 E HA 0.519 4.869 4.350 -0.001 0.000 0.278 275 E C -1.624 174.838 176.600 -0.230 0.000 0.972 275 E CA -0.623 55.552 56.400 -0.375 0.000 0.804 275 E CB 0.946 30.484 29.700 -0.270 0.000 1.110 275 E HN 0.471 nan 8.360 nan 0.000 0.394 276 F N 1.232 120.944 119.950 -0.398 0.000 2.613 276 F HA 0.859 5.385 4.527 -0.001 0.000 0.314 276 F C -1.229 174.442 175.800 -0.214 0.000 1.075 276 F CA -1.126 56.696 58.000 -0.297 0.000 0.945 276 F CB 1.364 40.111 39.000 -0.422 0.000 1.310 276 F HN 0.407 nan 8.300 nan 0.000 0.467 277 A N 1.506 124.427 122.820 0.168 0.000 2.455 277 A HA 0.724 5.044 4.320 -0.001 0.000 0.300 277 A C -0.806 177.070 177.584 0.486 0.000 1.040 277 A CA -0.730 51.451 52.037 0.240 0.000 0.697 277 A CB 0.241 19.360 19.000 0.198 0.000 1.265 277 A HN 1.193 nan 8.150 nan 0.000 0.407 278 Y N 0.158 120.736 120.300 0.464 0.000 2.742 278 Y HA -0.303 4.246 4.550 -0.001 0.000 0.485 278 Y C 0.829 177.023 175.900 0.489 0.000 1.119 278 Y CA 2.484 60.797 58.100 0.355 0.000 2.917 278 Y CB -0.939 37.630 38.460 0.182 0.000 0.951 278 Y HN 0.732 nan 8.280 nan 0.000 0.562 279 K N 1.615 122.331 120.400 0.526 0.000 2.463 279 K HA 0.578 4.897 4.320 -0.001 0.000 0.255 279 K C 0.029 176.685 176.600 0.092 0.000 0.942 279 K CA 0.029 56.520 56.287 0.340 0.000 0.814 279 K CB 1.631 34.264 32.500 0.221 0.000 1.122 279 K HN 0.341 nan 8.250 nan 0.000 0.425 280 G N 3.829 112.531 108.800 -0.164 0.000 2.537 280 G HA2 0.385 4.345 3.960 -0.001 0.000 0.273 280 G HA3 0.385 4.345 3.960 -0.001 0.000 0.273 280 G C -2.413 172.324 174.900 -0.271 0.000 1.189 280 G CA -1.124 43.590 45.100 -0.643 0.000 0.881 280 G HN 0.442 nan 8.290 nan 0.000 0.535 281 P HA 0.327 nan 4.420 nan 0.000 0.279 281 P C -0.683 176.625 177.300 0.013 0.000 1.282 281 P CA -0.443 62.616 63.100 -0.068 0.000 0.788 281 P CB 1.228 32.902 31.700 -0.043 0.000 1.139 282 V N 0.946 120.879 119.914 0.031 0.000 2.409 282 V HA 0.406 4.526 4.120 -0.001 0.000 0.291 282 V C 0.220 176.362 176.094 0.080 0.000 1.020 282 V CA -0.448 61.869 62.300 0.028 0.000 0.848 282 V CB 0.945 32.776 31.823 0.014 0.000 0.990 282 V HN 0.319 nan 8.190 nan 0.000 0.430 283 L N 3.753 125.056 121.223 0.133 0.000 2.381 283 L HA 0.731 5.070 4.340 -0.001 0.000 0.268 283 L C -0.240 176.825 176.870 0.325 0.000 0.997 283 L CA -0.388 54.599 54.840 0.245 0.000 0.818 283 L CB 2.629 44.938 42.059 0.415 0.000 1.310 283 L HN 0.523 nan 8.230 nan 0.000 0.416 284 T N 1.422 116.090 114.554 0.190 0.000 2.812 284 T HA 0.567 4.916 4.350 -0.001 0.000 0.282 284 T C 0.010 174.651 174.700 -0.098 0.000 0.990 284 T CA -0.504 61.675 62.100 0.132 0.000 0.960 284 T CB 1.808 70.717 68.868 0.067 0.000 0.948 284 T HN 0.661 nan 8.240 nan 0.000 0.438 285 A N 3.098 125.741 122.820 -0.296 0.000 2.488 285 A HA 0.411 4.730 4.320 -0.001 0.000 0.249 285 A C 1.030 178.443 177.584 -0.285 0.000 1.083 285 A CA -0.198 51.465 52.037 -0.622 0.000 0.768 285 A CB -0.163 18.282 19.000 -0.926 0.000 1.017 285 A HN 0.979 nan 8.150 nan 0.000 0.496 286 L N 1.724 122.795 121.223 -0.253 0.000 2.554 286 L HA 0.191 4.530 4.340 -0.001 0.000 0.225 286 L C 1.212 178.005 176.870 -0.127 0.000 1.104 286 L CA 0.330 55.084 54.840 -0.144 0.000 0.866 286 L CB -0.432 41.561 42.059 -0.109 0.000 1.047 286 L HN 0.929 nan 8.230 nan 0.000 0.468 287 R N -2.320 118.078 120.500 -0.169 0.000 2.795 287 R HA 0.389 4.728 4.340 -0.001 0.000 0.268 287 R C -1.413 174.803 176.300 -0.140 0.000 1.041 287 R CA -1.041 54.987 56.100 -0.121 0.000 0.927 287 R CB 0.595 30.839 30.300 -0.093 0.000 1.235 287 R HN -0.304 nan 8.270 nan 0.000 0.463 288 D N 1.240 121.595 120.400 -0.075 0.000 2.434 288 D HA 0.233 4.872 4.640 -0.001 0.000 0.252 288 D C -0.402 175.868 176.300 -0.050 0.000 1.185 288 D CA 0.440 54.416 54.000 -0.040 0.000 0.886 288 D CB 0.535 41.334 40.800 -0.003 0.000 1.148 288 D HN 0.276 nan 8.370 nan 0.000 0.483 289 L N 1.540 122.742 121.223 -0.035 0.000 2.341 289 L HA 0.531 4.871 4.340 -0.001 0.000 0.267 289 L C -0.341 176.562 176.870 0.054 0.000 1.009 289 L CA -1.261 53.567 54.840 -0.021 0.000 0.819 289 L CB 2.085 44.084 42.059 -0.100 0.000 1.323 289 L HN -0.026 nan 8.230 nan 0.000 0.425 290 V N 1.649 121.567 119.914 0.007 0.000 2.347 290 V HA 0.766 4.886 4.120 -0.001 0.000 0.280 290 V C 0.084 176.115 176.094 -0.104 0.000 1.021 290 V CA -0.264 62.012 62.300 -0.040 0.000 0.847 290 V CB 1.206 33.013 31.823 -0.027 0.000 0.990 290 V HN 0.881 nan 8.190 nan 0.000 0.444 291 A N 4.247 126.868 122.820 -0.332 0.000 2.435 291 A HA 1.063 5.383 4.320 -0.001 0.000 0.296 291 A C -0.535 176.660 177.584 -0.647 0.000 1.147 291 A CA -0.345 51.459 52.037 -0.388 0.000 0.775 291 A CB 2.097 20.972 19.000 -0.208 0.000 1.340 291 A HN 1.447 nan 8.150 nan 0.000 0.427 292 A N -0.110 122.586 122.820 -0.207 0.000 2.520 292 A HA 0.681 5.001 4.320 -0.001 0.000 0.298 292 A C -1.272 176.537 177.584 0.375 0.000 1.051 292 A CA -0.330 51.748 52.037 0.070 0.000 0.690 292 A CB 0.788 19.821 19.000 0.055 0.000 1.281 292 A HN 1.684 nan 8.150 nan 0.000 0.402 293 F N 2.118 122.292 119.950 0.372 0.000 2.469 293 F HA 0.792 5.318 4.527 -0.001 0.000 0.332 293 F C 0.041 175.973 175.800 0.219 0.000 1.103 293 F CA 0.089 58.307 58.000 0.364 0.000 0.979 293 F CB 1.459 40.729 39.000 0.451 0.000 1.137 293 F HN 1.009 nan 8.300 nan 0.000 0.463 294 A N 3.671 126.196 122.820 -0.493 0.000 2.599 294 A HA 0.871 5.191 4.320 -0.001 0.000 0.290 294 A C -0.209 177.050 177.584 -0.542 0.000 1.101 294 A CA -0.215 51.468 52.037 -0.591 0.000 0.674 294 A CB 0.921 19.779 19.000 -0.236 0.000 1.277 294 A HN 2.050 nan 8.150 nan 0.000 0.419 295 G N -1.300 107.191 108.800 -0.514 0.000 2.472 295 G HA2 0.300 4.260 3.960 -0.001 0.000 0.205 295 G HA3 0.300 4.260 3.960 -0.001 0.000 0.205 295 G C -1.002 173.529 174.900 -0.615 0.000 1.270 295 G CA -0.056 44.838 45.100 -0.343 0.000 0.974 295 G HN 1.675 nan 8.290 nan 0.000 0.542 296 Y N -0.800 119.580 120.300 0.135 0.000 2.609 296 Y HA 0.577 5.127 4.550 -0.001 0.000 0.342 296 Y C 1.189 177.187 175.900 0.164 0.000 1.058 296 Y CA 0.341 58.531 58.100 0.151 0.000 1.055 296 Y CB 1.971 40.507 38.460 0.127 0.000 1.292 296 Y HN 2.189 nan 8.280 nan 0.000 0.476 297 G N 0.061 108.975 108.800 0.191 0.000 2.176 297 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.232 297 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.232 297 G C -0.619 173.929 174.900 -0.586 0.000 0.986 297 G CA -0.210 44.736 45.100 -0.256 0.000 0.643 297 G HN 0.414 nan 8.290 nan 0.000 0.522 298 F N -1.415 118.736 119.950 0.334 0.000 2.645 298 F HA 0.716 5.243 4.527 -0.000 0.000 0.310 298 F C -0.163 175.860 175.800 0.372 0.000 1.102 298 F CA -1.020 57.184 58.000 0.339 0.000 0.952 298 F CB 2.142 41.382 39.000 0.399 0.000 1.326 298 F HN 0.184 nan 8.300 nan 0.000 0.456 299 V N 2.021 122.172 119.914 0.395 0.000 2.448 299 V HA 0.863 4.983 4.120 -0.001 0.000 0.295 299 V C -0.431 175.649 176.094 -0.024 0.000 1.025 299 V CA -0.546 61.890 62.300 0.228 0.000 0.859 299 V CB 1.151 33.050 31.823 0.127 0.000 0.988 299 V HN 0.992 nan 8.190 nan 0.000 0.431 300 A N 7.240 129.893 122.820 -0.279 0.000 2.407 300 A HA 0.729 5.049 4.320 -0.001 0.000 0.248 300 A C -0.603 176.675 177.584 -0.509 0.000 1.082 300 A CA -0.244 51.404 52.037 -0.649 0.000 0.785 300 A CB 0.219 18.752 19.000 -0.778 0.000 1.020 300 A HN 0.930 nan 8.150 nan 0.000 0.489 301 L N 2.078 122.929 121.223 -0.621 0.000 2.381 301 L HA 0.653 4.992 4.340 -0.001 0.000 0.274 301 L C -1.084 175.491 176.870 -0.492 0.000 0.988 301 L CA -0.572 54.005 54.840 -0.439 0.000 0.824 301 L CB 1.730 43.604 42.059 -0.308 0.000 1.263 301 L HN 0.643 nan 8.230 nan 0.000 0.410 302 L N 2.925 123.901 121.223 -0.410 0.000 2.543 302 L HA 0.341 4.680 4.340 -0.001 0.000 0.265 302 L C -0.155 176.582 176.870 -0.222 0.000 0.945 302 L CA 0.254 54.870 54.840 -0.373 0.000 0.869 302 L CB 1.684 43.411 42.059 -0.554 0.000 1.294 302 L HN 0.664 nan 8.230 nan 0.000 0.405 303 E N 3.748 123.866 120.200 -0.137 0.000 2.440 303 E HA -0.242 4.107 4.350 -0.001 0.000 0.246 303 E C 0.963 177.517 176.600 -0.077 0.000 1.165 303 E CA 0.861 57.216 56.400 -0.076 0.000 0.726 303 E CB -1.365 28.309 29.700 -0.044 0.000 1.271 303 E HN 1.332 nan 8.360 nan 0.000 0.397 304 G N -0.287 108.458 108.800 -0.093 0.000 2.153 304 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.252 304 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.252 304 G C -0.115 174.734 174.900 -0.086 0.000 0.994 304 G CA 0.692 45.745 45.100 -0.078 0.000 0.698 304 G HN 0.268 nan 8.290 nan 0.000 0.521 305 E N 0.410 120.539 120.200 -0.120 0.000 2.212 305 E HA 0.418 4.767 4.350 -0.001 0.000 0.268 305 E C -0.031 176.471 176.600 -0.163 0.000 0.902 305 E CA -0.624 55.703 56.400 -0.121 0.000 0.779 305 E CB 1.441 31.068 29.700 -0.121 0.000 1.172 305 E HN 0.549 nan 8.360 nan 0.000 0.409 306 E N 1.902 122.029 120.200 -0.122 0.000 2.283 306 E HA 0.344 4.694 4.350 -0.001 0.000 0.278 306 E C -0.229 176.295 176.600 -0.126 0.000 1.027 306 E CA -0.225 56.101 56.400 -0.122 0.000 0.843 306 E CB 1.095 30.761 29.700 -0.057 0.000 1.062 306 E HN 0.306 nan 8.360 nan 0.000 0.401 307 I N 5.241 125.716 120.570 -0.158 0.000 2.390 307 I HA 0.247 4.416 4.170 -0.001 0.000 0.283 307 I C -2.307 173.868 176.117 0.097 0.000 1.016 307 I CA -2.418 58.817 61.300 -0.108 0.000 1.151 307 I CB 1.307 39.099 38.000 -0.347 0.000 1.293 307 I HN 0.191 nan 8.210 nan 0.000 0.458 308 P HA 0.133 nan 4.420 nan 0.000 0.270 308 P C -2.424 175.022 177.300 0.243 0.000 1.223 308 P CA -0.994 62.218 63.100 0.187 0.000 0.785 308 P CB -0.229 31.529 31.700 0.096 0.000 0.923 309 P HA 0.069 nan 4.420 nan 0.000 0.272 309 P C 0.588 177.805 177.300 -0.138 0.000 1.230 309 P CA 0.551 63.488 63.100 -0.272 0.000 0.788 309 P CB 0.242 31.567 31.700 -0.625 0.000 0.949 310 G N 0.208 108.920 108.800 -0.146 0.000 2.132 310 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.228 310 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.228 310 G C -0.195 174.743 174.900 0.064 0.000 1.000 310 G CA 0.269 45.349 45.100 -0.033 0.000 0.693 310 G HN 0.905 nan 8.290 nan 0.000 0.515 311 Q N -0.775 119.097 119.800 0.121 0.000 2.456 311 Q HA 0.750 5.090 4.340 -0.001 0.000 0.284 311 Q C -0.242 175.910 176.000 0.253 0.000 1.061 311 Q CA -0.343 55.561 55.803 0.168 0.000 0.799 311 Q CB 1.634 30.468 28.738 0.160 0.000 1.445 311 Q HN 0.893 nan 8.270 nan 0.000 0.411 312 S N 0.806 116.621 115.700 0.192 0.000 2.690 312 S HA 0.892 5.362 4.470 -0.001 0.000 0.291 312 S C -0.507 174.233 174.600 0.234 0.000 1.138 312 S CA -0.520 57.753 58.200 0.122 0.000 1.013 312 S CB 0.561 63.775 63.200 0.024 0.000 1.053 312 S HN 0.695 nan 8.310 nan 0.000 0.539 313 F N -1.090 118.911 119.950 0.086 0.000 2.678 313 F HA 0.654 5.181 4.527 -0.001 0.000 0.308 313 F C -1.421 174.440 175.800 0.102 0.000 1.118 313 F CA -1.599 56.442 58.000 0.068 0.000 0.959 313 F CB 0.579 39.596 39.000 0.028 0.000 1.305 313 F HN 0.590 nan 8.300 nan 0.000 0.443 314 L N 3.071 124.461 121.223 0.277 0.000 2.410 314 L HA 0.304 4.644 4.340 -0.001 0.000 0.273 314 L C -1.168 175.950 176.870 0.413 0.000 1.152 314 L CA 0.051 55.033 54.840 0.235 0.000 0.855 314 L CB 0.572 42.735 42.059 0.172 0.000 1.129 314 L HN 0.746 nan 8.230 nan 0.000 0.463 315 W N 9.004 130.381 121.300 0.129 0.000 2.485 315 W HA 0.479 5.139 4.660 -0.000 0.000 0.297 315 W C -2.552 174.012 176.519 0.076 0.000 0.999 315 W CA -3.145 54.295 57.345 0.158 0.000 1.512 315 W CB 0.543 30.097 29.460 0.156 0.000 1.322 315 W HN 0.437 nan 8.180 nan 0.000 0.419 316 P HA 0.172 nan 4.420 nan 0.000 0.272 316 P C 0.275 177.625 177.300 0.083 0.000 1.223 316 P CA 0.308 63.505 63.100 0.162 0.000 0.784 316 P CB 0.411 32.195 31.700 0.140 0.000 0.923 317 R N 1.542 122.042 120.500 0.000 0.000 2.570 317 R HA 0.402 4.741 4.340 -0.001 0.000 0.277 317 R C 1.529 177.827 176.300 -0.004 0.000 1.039 317 R CA 0.376 56.446 56.100 -0.051 0.000 1.065 317 R CB -1.761 28.511 30.300 -0.047 0.000 0.964 317 R HN 0.949 nan 8.270 nan 0.000 0.428 318 G N 0.451 109.240 108.800 -0.018 0.000 2.205 318 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.261 318 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.261 318 G C 0.268 175.213 174.900 0.074 0.000 0.980 318 G CA 0.496 45.608 45.100 0.020 0.000 0.632 318 G HN 0.708 nan 8.290 nan 0.000 0.533 319 K N 1.326 121.811 120.400 0.143 0.000 2.174 319 K HA 0.538 4.858 4.320 -0.001 0.000 0.275 319 K C -0.021 176.796 176.600 0.361 0.000 1.015 319 K CA -0.034 56.389 56.287 0.227 0.000 0.933 319 K CB 1.225 33.899 32.500 0.291 0.000 1.025 319 K HN 0.149 nan 8.250 nan 0.000 0.463 320 T N 2.810 117.490 114.554 0.210 0.000 2.795 320 T HA 0.319 4.669 4.350 -0.001 0.000 0.282 320 T C -0.315 174.397 174.700 0.020 0.000 0.980 320 T CA -0.636 61.571 62.100 0.178 0.000 1.012 320 T CB 0.800 69.708 68.868 0.068 0.000 0.936 320 T HN 0.262 nan 8.240 nan 0.000 0.457 321 L N 4.202 125.409 121.223 -0.027 0.000 2.309 321 L HA 0.673 5.012 4.340 -0.001 0.000 0.282 321 L C -0.172 176.422 176.870 -0.460 0.000 1.036 321 L CA -0.131 54.427 54.840 -0.471 0.000 0.806 321 L CB 0.789 42.291 42.059 -0.928 0.000 1.220 321 L HN 0.583 nan 8.230 nan 0.000 0.429 322 R N 3.450 123.555 120.500 -0.658 0.000 2.855 322 R HA 0.621 4.961 4.340 -0.001 0.000 0.266 322 R C -1.699 174.063 176.300 -0.896 0.000 1.034 322 R CA -0.668 55.096 56.100 -0.559 0.000 0.944 322 R CB 1.874 32.008 30.300 -0.277 0.000 1.219 322 R HN 0.429 nan 8.270 nan 0.000 0.474 323 F N 0.627 120.400 119.950 -0.295 0.000 2.539 323 F HA 0.428 4.954 4.527 -0.001 0.000 0.328 323 F C 0.124 175.904 175.800 -0.032 0.000 1.148 323 F CA -0.674 57.156 58.000 -0.284 0.000 0.940 323 F CB 1.728 40.376 39.000 -0.587 0.000 1.194 323 F HN 0.135 nan 8.300 nan 0.000 0.438 324 R N 4.489 125.094 120.500 0.175 0.000 2.265 324 R HA 0.500 4.839 4.340 -0.001 0.000 0.319 324 R C -2.775 173.704 176.300 0.297 0.000 1.006 324 R CA -1.738 54.474 56.100 0.186 0.000 0.880 324 R CB 1.098 31.441 30.300 0.072 0.000 1.077 324 R HN 0.205 nan 8.270 nan 0.000 0.454 325 P HA 0.131 nan 4.420 nan 0.000 0.271 325 P C -1.297 176.001 177.300 -0.003 0.000 1.216 325 P CA -0.075 63.043 63.100 0.029 0.000 0.776 325 P CB 0.802 32.499 31.700 -0.005 0.000 0.881 326 R N 1.680 122.141 120.500 -0.064 0.000 2.687 326 R HA 0.518 4.858 4.340 -0.001 0.000 0.265 326 R C -0.384 175.911 176.300 -0.008 0.000 1.048 326 R CA -0.016 56.082 56.100 -0.003 0.000 0.884 326 R CB 1.249 31.584 30.300 0.057 0.000 1.258 326 R HN 0.731 nan 8.270 nan 0.000 0.469 327 G N 2.545 111.352 108.800 0.011 0.000 2.698 327 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.233 327 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.233 327 G C -2.513 172.392 174.900 0.007 0.000 1.352 327 G CA -0.269 44.850 45.100 0.032 0.000 0.879 327 G HN 0.572 nan 8.290 nan 0.000 0.567 328 P HA 0.616 nan 4.420 nan 0.000 0.281 328 P C 0.565 177.884 177.300 0.031 0.000 1.264 328 P CA 1.263 64.369 63.100 0.010 0.000 0.824 328 P CB 1.018 32.729 31.700 0.017 0.000 1.092 329 G N -1.017 107.779 108.800 -0.008 0.000 2.707 329 G HA2 0.055 4.015 3.960 -0.001 0.000 0.686 329 G HA3 0.055 4.015 3.960 -0.001 0.000 0.686 329 G C 0.038 174.878 174.900 -0.100 0.000 1.315 329 G CA -0.270 44.837 45.100 0.012 0.000 0.832 329 G HN 0.940 nan 8.290 nan 0.000 0.573 330 V N -3.671 116.178 119.914 -0.108 0.000 3.400 330 V HA 0.614 4.733 4.120 -0.001 0.000 0.281 330 V C 0.532 176.610 176.094 -0.026 0.000 1.617 330 V CA 1.186 63.308 62.300 -0.297 0.000 1.044 330 V CB 0.580 31.978 31.823 -0.708 0.000 0.858 330 V HN 0.975 nan 8.190 nan 0.000 0.425 331 R N 0.827 121.383 120.500 0.094 0.000 2.451 331 R HA 0.697 5.037 4.340 -0.001 0.000 0.307 331 R C 0.055 176.288 176.300 -0.111 0.000 0.965 331 R CA 0.159 56.251 56.100 -0.013 0.000 0.865 331 R CB 1.540 31.825 30.300 -0.026 0.000 1.174 331 R HN 0.532 nan 8.270 nan 0.000 0.455 332 G N 2.194 110.623 108.800 -0.619 0.000 2.537 332 G HA2 0.513 4.473 3.960 -0.001 0.000 0.323 332 G HA3 0.513 4.473 3.960 -0.001 0.000 0.323 332 G C -1.637 172.326 174.900 -1.561 0.000 1.207 332 G CA -0.332 44.262 45.100 -0.845 0.000 0.976 332 G HN 0.451 nan 8.290 nan 0.000 0.487 333 Y N -1.055 118.963 120.300 -0.470 0.000 2.492 333 Y HA 0.572 5.122 4.550 -0.001 0.000 0.346 333 Y C -0.566 175.460 175.900 0.209 0.000 0.997 333 Y CA -0.841 57.150 58.100 -0.182 0.000 1.025 333 Y CB 2.747 41.139 38.460 -0.113 0.000 1.263 333 Y HN 0.485 nan 8.280 nan 0.000 0.454 334 L N 2.973 124.445 121.223 0.416 0.000 2.372 334 L HA 0.930 5.269 4.340 -0.001 0.000 0.274 334 L C -0.943 176.120 176.870 0.323 0.000 0.988 334 L CA -0.498 54.626 54.840 0.473 0.000 0.833 334 L CB 1.093 43.490 42.059 0.562 0.000 1.236 334 L HN 0.698 nan 8.230 nan 0.000 0.410 335 A N 4.355 127.327 122.820 0.252 0.000 2.320 335 A HA 0.881 5.200 4.320 -0.001 0.000 0.334 335 A C -0.974 176.687 177.584 0.128 0.000 1.147 335 A CA -0.238 51.894 52.037 0.158 0.000 0.820 335 A CB 1.685 20.742 19.000 0.096 0.000 1.218 335 A HN 1.146 nan 8.150 nan 0.000 0.482 336 V N -1.053 118.917 119.914 0.093 0.000 2.656 336 V HA 0.834 4.953 4.120 -0.001 0.000 0.307 336 V C 0.297 176.404 176.094 0.022 0.000 1.051 336 V CA -0.569 61.766 62.300 0.059 0.000 0.893 336 V CB 0.951 32.813 31.823 0.064 0.000 0.999 336 V HN 1.796 nan 8.190 nan 0.000 0.426 337 A N 3.190 126.010 122.820 -0.000 0.000 2.537 337 A HA 0.549 4.869 4.320 -0.001 0.000 0.260 337 A C 1.569 179.151 177.584 -0.005 0.000 1.082 337 A CA 0.935 52.968 52.037 -0.007 0.000 0.765 337 A CB -0.839 18.152 19.000 -0.013 0.000 1.019 337 A HN 2.819 nan 8.150 nan 0.000 0.507 338 G N 1.521 110.319 108.800 -0.002 0.000 2.259 338 G HA2 0.322 4.282 3.960 -0.001 0.000 0.217 338 G HA3 0.322 4.282 3.960 -0.001 0.000 0.217 338 G C 1.562 176.465 174.900 0.004 0.000 1.001 338 G CA 0.598 45.697 45.100 -0.002 0.000 0.627 338 G HN 3.084 nan 8.290 nan 0.000 0.501 339 G N -0.858 107.949 108.800 0.012 0.000 2.795 339 G HA2 0.154 4.114 3.960 -0.001 0.000 0.664 339 G HA3 0.154 4.114 3.960 -0.001 0.000 0.664 339 G C -0.296 174.616 174.900 0.021 0.000 1.381 339 G CA -0.193 44.919 45.100 0.021 0.000 0.853 339 G HN 1.245 nan 8.290 nan 0.000 0.545 340 L N 0.219 121.459 121.223 0.028 0.000 2.325 340 L HA 0.505 4.844 4.340 -0.001 0.000 0.279 340 L C 0.962 177.842 176.870 0.018 0.000 1.054 340 L CA -0.686 54.168 54.840 0.024 0.000 0.804 340 L CB 1.676 43.757 42.059 0.036 0.000 1.200 340 L HN 0.770 nan 8.230 nan 0.000 0.436 341 E N 2.469 122.676 120.200 0.010 0.000 2.299 341 E HA 0.354 4.704 4.350 -0.001 0.000 0.272 341 E C -1.488 175.119 176.600 0.011 0.000 1.043 341 E CA -0.279 56.127 56.400 0.010 0.000 0.895 341 E CB 0.827 30.530 29.700 0.004 0.000 1.011 341 E HN 0.324 nan 8.360 nan 0.000 0.432 342 V N 5.180 125.103 119.914 0.016 0.000 2.808 342 V HA 0.332 4.451 4.120 -0.001 0.000 0.308 342 V C -0.287 175.821 176.094 0.024 0.000 1.099 342 V CA -0.944 61.366 62.300 0.017 0.000 0.920 342 V CB 2.014 33.849 31.823 0.021 0.000 1.014 342 V HN 0.695 nan 8.190 nan 0.000 0.425 343 R N 4.277 124.792 120.500 0.024 0.000 2.347 343 R HA 0.359 4.698 4.340 -0.001 0.000 0.304 343 R C -2.426 173.910 176.300 0.060 0.000 1.072 343 R CA -1.349 54.774 56.100 0.037 0.000 0.980 343 R CB 1.070 31.390 30.300 0.034 0.000 0.986 343 R HN 0.462 nan 8.270 nan 0.000 0.448 344 P HA 0.073 nan 4.420 nan 0.000 0.278 344 P C -1.130 176.260 177.300 0.149 0.000 1.238 344 P CA -0.190 62.963 63.100 0.087 0.000 0.794 344 P CB 0.644 32.376 31.700 0.054 0.000 0.955 345 F N 4.289 124.240 119.950 0.002 0.000 2.460 345 F HA 0.326 4.853 4.527 -0.001 0.000 0.341 345 F C 0.561 176.376 175.800 0.026 0.000 1.130 345 F CA -0.885 57.116 58.000 0.002 0.000 0.962 345 F CB 0.580 39.571 39.000 -0.014 0.000 1.171 345 F HN 0.190 nan 8.300 nan 0.000 0.436 346 L N 6.909 127.800 121.223 -0.553 0.000 3.854 346 L HA -0.294 4.046 4.340 -0.001 0.000 0.460 346 L C 1.063 177.855 176.870 -0.130 0.000 1.228 346 L CA 1.061 55.662 54.840 -0.398 0.000 0.760 346 L CB -1.742 39.977 42.059 -0.567 0.000 1.597 346 L HN 1.210 nan 8.230 nan 0.000 0.852 347 G N -1.393 107.374 108.800 -0.053 0.000 2.194 347 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.236 347 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.236 347 G C 0.075 175.008 174.900 0.055 0.000 0.987 347 G CA 0.320 45.430 45.100 0.017 0.000 0.635 347 G HN 0.811 nan 8.290 nan 0.000 0.520 348 S N -1.135 114.598 115.700 0.055 0.000 2.546 348 S HA 0.764 5.234 4.470 -0.001 0.000 0.274 348 S C 0.741 175.389 174.600 0.081 0.000 1.121 348 S CA 0.565 58.806 58.200 0.067 0.000 0.887 348 S CB 1.579 64.801 63.200 0.038 0.000 1.094 348 S HN 1.638 nan 8.310 nan 0.000 0.474 349 A N 2.298 125.156 122.820 0.063 0.000 2.275 349 A HA 0.437 4.757 4.320 -0.001 0.000 0.212 349 A C 0.787 178.397 177.584 0.042 0.000 1.201 349 A CA 0.046 52.116 52.037 0.055 0.000 0.843 349 A CB -0.287 18.739 19.000 0.044 0.000 0.873 349 A HN 0.622 nan 8.150 nan 0.000 0.492 350 S N 1.946 117.668 115.700 0.037 0.000 2.580 350 S HA 0.422 4.892 4.470 -0.001 0.000 0.274 350 S C -2.432 172.179 174.600 0.019 0.000 1.329 350 S CA -0.861 57.350 58.200 0.018 0.000 1.036 350 S CB 0.774 63.969 63.200 -0.008 0.000 0.919 350 S HN 0.359 nan 8.310 nan 0.000 0.515 351 P HA 0.238 nan 4.420 nan 0.000 0.277 351 P C -1.132 176.165 177.300 -0.005 0.000 1.240 351 P CA -0.343 62.749 63.100 -0.013 0.000 0.798 351 P CB 0.588 32.273 31.700 -0.025 0.000 0.979 352 D N 2.527 122.922 120.400 -0.009 0.000 2.432 352 D HA 0.170 4.810 4.640 -0.001 0.000 0.265 352 D C 1.239 177.532 176.300 -0.012 0.000 1.160 352 D CA -0.407 53.592 54.000 -0.002 0.000 0.911 352 D CB 0.372 41.189 40.800 0.028 0.000 1.052 352 D HN 0.164 nan 8.370 nan 0.000 0.508 353 L N 2.086 123.302 121.223 -0.011 0.000 2.131 353 L HA -0.076 4.264 4.340 -0.001 0.000 0.210 353 L C 2.559 179.433 176.870 0.006 0.000 1.092 353 L CA 0.692 55.529 54.840 -0.005 0.000 0.759 353 L CB -0.156 41.904 42.059 0.002 0.000 0.903 353 L HN 0.288 nan 8.230 nan 0.000 0.435 354 R N 0.580 121.080 120.500 -0.000 0.000 2.081 354 R HA -0.125 4.214 4.340 -0.001 0.000 0.235 354 R C 1.927 178.232 176.300 0.009 0.000 1.131 354 R CA 1.468 57.569 56.100 0.001 0.000 0.960 354 R CB -0.298 29.986 30.300 -0.027 0.000 0.856 354 R HN 0.362 nan 8.270 nan 0.000 0.436 355 G N -0.350 108.453 108.800 0.004 0.000 3.088 355 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.212 355 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.212 355 G C -0.217 174.764 174.900 0.135 0.000 1.173 355 G CA -0.302 44.824 45.100 0.043 0.000 0.779 355 G HN 0.348 nan 8.290 nan 0.000 0.540 356 R N -1.050 119.481 120.500 0.052 0.000 3.333 356 R HA -0.165 4.175 4.340 -0.001 0.000 0.256 356 R C -0.664 175.581 176.300 -0.092 0.000 1.010 356 R CA 0.434 56.538 56.100 0.006 0.000 0.680 356 R CB -2.104 28.222 30.300 0.044 0.000 1.102 356 R HN 0.389 nan 8.270 nan 0.000 0.440 357 I N 0.676 121.177 120.570 -0.116 0.000 2.355 357 I HA 0.410 4.580 4.170 -0.001 0.000 0.288 357 I C 1.244 177.278 176.117 -0.137 0.000 0.999 357 I CA 0.490 61.657 61.300 -0.223 0.000 1.163 357 I CB 1.726 39.571 38.000 -0.258 0.000 1.316 357 I HN 0.451 nan 8.210 nan 0.000 0.454 358 G N 5.798 114.508 108.800 -0.150 0.000 2.750 358 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.228 358 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.228 358 G C -0.633 174.189 174.900 -0.130 0.000 1.367 358 G CA -0.088 44.938 45.100 -0.124 0.000 0.871 358 G HN 0.971 nan 8.290 nan 0.000 0.560 359 R N -2.043 118.362 120.500 -0.159 0.000 2.741 359 R HA 0.643 4.982 4.340 -0.001 0.000 0.276 359 R C -3.341 172.835 176.300 -0.207 0.000 1.028 359 R CA -1.399 54.587 56.100 -0.189 0.000 0.865 359 R CB 0.299 30.412 30.300 -0.311 0.000 1.268 359 R HN 0.568 nan 8.270 nan 0.000 0.475 360 P HA 0.137 nan 4.420 nan 0.000 0.272 360 P C -0.367 176.762 177.300 -0.286 0.000 1.230 360 P CA -0.434 62.582 63.100 -0.140 0.000 0.788 360 P CB 0.437 32.119 31.700 -0.031 0.000 0.949 361 L N 1.128 122.257 121.223 -0.156 0.000 2.467 361 L HA 0.178 4.517 4.340 -0.001 0.000 0.270 361 L C 0.233 177.092 176.870 -0.019 0.000 1.205 361 L CA 0.153 54.909 54.840 -0.140 0.000 0.828 361 L CB 0.083 42.132 42.059 -0.017 0.000 1.101 361 L HN 0.303 nan 8.230 nan 0.000 0.479 362 W N -0.027 121.287 121.300 0.023 0.000 2.820 362 W HA 0.574 5.233 4.660 -0.001 0.000 0.350 362 W C -0.113 176.417 176.519 0.019 0.000 1.116 362 W CA -1.573 55.784 57.345 0.019 0.000 1.146 362 W CB 1.541 31.010 29.460 0.016 0.000 1.433 362 W HN 0.443 nan 8.180 nan 0.000 0.561 363 A N 1.038 124.012 122.820 0.257 0.000 2.546 363 A HA 0.470 4.789 4.320 -0.001 0.000 0.243 363 A C 1.122 178.790 177.584 0.140 0.000 1.063 363 A CA 1.600 53.722 52.037 0.141 0.000 0.757 363 A CB -0.438 18.608 19.000 0.077 0.000 0.991 363 A HN 1.613 nan 8.150 nan 0.000 0.503 364 G N 1.945 110.808 108.800 0.106 0.000 2.258 364 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.233 364 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.233 364 G C 0.021 174.981 174.900 0.100 0.000 1.006 364 G CA 0.216 45.371 45.100 0.092 0.000 0.620 364 G HN 0.823 nan 8.290 nan 0.000 0.511 365 D N 0.951 121.429 120.400 0.130 0.000 2.493 365 D HA 0.401 5.041 4.640 -0.001 0.000 0.240 365 D C 0.490 176.823 176.300 0.055 0.000 1.142 365 D CA 0.446 54.503 54.000 0.096 0.000 0.872 365 D CB 1.573 42.420 40.800 0.079 0.000 1.173 365 D HN 0.254 nan 8.370 nan 0.000 0.467 366 V N 4.102 124.038 119.914 0.037 0.000 2.435 366 V HA 0.370 4.490 4.120 -0.001 0.000 0.290 366 V C 0.308 176.405 176.094 0.006 0.000 1.030 366 V CA -0.742 61.567 62.300 0.014 0.000 0.881 366 V CB 1.342 33.169 31.823 0.007 0.000 0.983 366 V HN 0.291 nan 8.190 nan 0.000 0.445 367 L N 4.131 125.352 121.223 -0.003 0.000 2.334 367 L HA 0.882 5.222 4.340 -0.001 0.000 0.276 367 L C 0.593 177.452 176.870 -0.020 0.000 1.014 367 L CA -0.350 54.488 54.840 -0.004 0.000 0.815 367 L CB 1.871 43.936 42.059 0.010 0.000 1.268 367 L HN 0.742 nan 8.230 nan 0.000 0.428 368 G N 1.910 110.701 108.800 -0.015 0.000 2.568 368 G HA2 0.699 4.659 3.960 -0.001 0.000 0.313 368 G HA3 0.699 4.659 3.960 -0.001 0.000 0.313 368 G C -0.878 174.012 174.900 -0.017 0.000 1.227 368 G CA -0.860 44.226 45.100 -0.023 0.000 0.979 368 G HN 0.367 nan 8.290 nan 0.000 0.486 369 L N 0.600 121.809 121.223 -0.023 0.000 2.349 369 L HA 0.219 4.558 4.340 -0.001 0.000 0.275 369 L C 1.652 178.518 176.870 -0.007 0.000 1.115 369 L CA -0.461 54.370 54.840 -0.015 0.000 0.820 369 L CB 1.646 43.691 42.059 -0.023 0.000 1.135 369 L HN 0.775 nan 8.230 nan 0.000 0.445 370 E N 2.876 123.076 120.200 -0.001 0.000 2.051 370 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 370 E C 0.172 176.772 176.600 -0.001 0.000 0.991 370 E CA 1.420 57.821 56.400 0.002 0.000 0.799 370 E CB 0.326 30.030 29.700 0.007 0.000 0.748 370 E HN 0.710 nan 8.360 nan 0.000 0.449 371 A N -1.021 121.797 122.820 -0.003 0.000 2.602 371 A HA 0.543 4.862 4.320 -0.001 0.000 0.290 371 A C -1.456 176.123 177.584 -0.008 0.000 1.114 371 A CA -0.807 51.227 52.037 -0.005 0.000 0.683 371 A CB 0.833 19.831 19.000 -0.004 0.000 1.281 371 A HN 0.110 nan 8.150 nan 0.000 0.416 372 L N 1.084 122.302 121.223 -0.009 0.000 2.325 372 L HA 0.470 4.809 4.340 -0.001 0.000 0.284 372 L C 0.215 177.080 176.870 -0.008 0.000 1.089 372 L CA 0.218 55.052 54.840 -0.010 0.000 0.836 372 L CB 0.261 42.314 42.059 -0.010 0.000 1.184 372 L HN 0.668 nan 8.230 nan 0.000 0.444 373 R N 3.933 124.429 120.500 -0.008 0.000 2.639 373 R HA 0.283 4.623 4.340 -0.001 0.000 0.273 373 R C -2.398 173.897 176.300 -0.007 0.000 1.732 373 R CA -1.539 54.557 56.100 -0.007 0.000 1.586 373 R CB 0.887 31.183 30.300 -0.007 0.000 1.263 373 R HN 0.383 nan 8.270 nan 0.000 0.615 374 P HA -0.024 nan 4.420 nan 0.000 0.265 374 P C -0.565 176.733 177.300 -0.002 0.000 1.187 374 P CA 0.031 63.129 63.100 -0.003 0.000 0.766 374 P CB 1.221 32.920 31.700 -0.001 0.000 0.820 375 V N 2.891 122.804 119.914 -0.001 0.000 3.012 375 V HA 0.357 4.477 4.120 -0.001 0.000 0.307 375 V C -0.285 175.812 176.094 0.006 0.000 1.166 375 V CA -1.213 61.087 62.300 0.000 0.000 0.974 375 V CB 2.508 34.328 31.823 -0.005 0.000 1.040 375 V HN 0.545 nan 8.190 nan 0.000 0.428 376 R N 5.973 126.479 120.500 0.010 0.000 2.442 376 R HA 0.400 4.739 4.340 -0.001 0.000 0.291 376 R C -2.230 174.083 176.300 0.022 0.000 1.069 376 R CA -1.042 55.068 56.100 0.018 0.000 1.022 376 R CB 1.047 31.358 30.300 0.019 0.000 0.976 376 R HN 0.624 nan 8.270 nan 0.000 0.443 377 P HA 0.160 nan 4.420 nan 0.000 0.277 377 P C -0.142 177.192 177.300 0.057 0.000 1.271 377 P CA 0.060 63.186 63.100 0.043 0.000 0.795 377 P CB 0.757 32.494 31.700 0.061 0.000 1.101 378 G N -0.561 108.286 108.800 0.078 0.000 2.130 378 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 378 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 378 G C 0.173 175.116 174.900 0.073 0.000 0.999 378 G CA -0.431 44.718 45.100 0.082 0.000 0.686 378 G HN 0.588 nan 8.290 nan 0.000 0.515 379 R N 0.014 120.556 120.500 0.071 0.000 2.582 379 R HA 0.694 5.033 4.340 -0.001 0.000 0.271 379 R C 0.233 176.589 176.300 0.093 0.000 1.078 379 R CA 0.596 56.739 56.100 0.072 0.000 1.127 379 R CB 1.227 31.560 30.300 0.055 0.000 1.038 379 R HN 0.933 nan 8.270 nan 0.000 0.500 380 A N 2.271 125.154 122.820 0.106 0.000 2.566 380 A HA 0.611 4.931 4.320 -0.001 0.000 0.297 380 A C -1.802 175.886 177.584 0.173 0.000 1.059 380 A CA -0.572 51.535 52.037 0.116 0.000 0.691 380 A CB 1.314 20.359 19.000 0.076 0.000 1.282 380 A HN 0.618 nan 8.150 nan 0.000 0.401 381 F N 2.727 122.666 119.950 -0.019 0.000 2.596 381 F HA 0.708 5.235 4.527 -0.001 0.000 0.311 381 F C -2.620 173.152 175.800 -0.047 0.000 1.116 381 F CA -1.592 56.388 58.000 -0.033 0.000 0.957 381 F CB 2.510 41.483 39.000 -0.044 0.000 1.250 381 F HN 0.429 nan 8.300 nan 0.000 0.444 382 P HA 0.286 nan 4.420 nan 0.000 0.276 382 P C -1.605 175.654 177.300 -0.067 0.000 1.244 382 P CA -0.391 62.596 63.100 -0.188 0.000 0.801 382 P CB 0.774 32.318 31.700 -0.261 0.000 1.006 383 Q N 0.828 120.607 119.800 -0.036 0.000 2.226 383 Q HA 0.409 4.749 4.340 -0.001 0.000 0.256 383 Q C -0.089 175.935 176.000 0.039 0.000 0.962 383 Q CA -0.914 54.884 55.803 -0.008 0.000 0.887 383 Q CB 1.533 30.218 28.738 -0.089 0.000 1.282 383 Q HN 0.306 nan 8.270 nan 0.000 0.449 384 R N 1.758 122.275 120.500 0.029 0.000 2.697 384 R HA 0.054 4.394 4.340 -0.001 0.000 0.265 384 R C -2.044 174.380 176.300 0.207 0.000 1.009 384 R CA -0.709 55.424 56.100 0.055 0.000 1.099 384 R CB -0.505 29.741 30.300 -0.091 0.000 0.965 384 R HN 0.374 nan 8.270 nan 0.000 0.428 385 P HA 0.027 nan 4.420 nan 0.000 0.275 385 P C -1.036 176.394 177.300 0.216 0.000 1.227 385 P CA -0.389 62.832 63.100 0.201 0.000 0.781 385 P CB 0.712 32.489 31.700 0.128 0.000 0.906 386 L N 5.977 127.277 121.223 0.128 0.000 2.259 386 L HA 0.409 4.748 4.340 -0.001 0.000 0.288 386 L C -2.078 174.825 176.870 0.055 0.000 1.051 386 L CA -2.212 52.614 54.840 -0.023 0.000 0.824 386 L CB 0.270 42.112 42.059 -0.363 0.000 1.206 386 L HN 0.269 nan 8.230 nan 0.000 0.429 387 P HA 0.126 nan 4.420 nan 0.000 0.272 387 P C -0.072 177.286 177.300 0.097 0.000 1.230 387 P CA -0.241 62.918 63.100 0.098 0.000 0.788 387 P CB 0.893 32.656 31.700 0.106 0.000 0.949 388 E N 0.095 120.306 120.200 0.018 0.000 2.107 388 E HA 0.006 4.355 4.350 -0.001 0.000 0.191 388 E C 0.765 177.258 176.600 -0.178 0.000 0.982 388 E CA 0.914 57.274 56.400 -0.066 0.000 0.809 388 E CB -0.146 29.524 29.700 -0.051 0.000 0.756 388 E HN 0.589 nan 8.360 nan 0.000 0.459 389 A N 0.681 123.442 122.820 -0.097 0.000 2.355 389 A HA 0.563 4.882 4.320 -0.001 0.000 0.324 389 A C -0.890 176.730 177.584 0.059 0.000 1.117 389 A CA -0.551 51.406 52.037 -0.134 0.000 0.785 389 A CB 0.769 19.753 19.000 -0.026 0.000 1.254 389 A HN -0.085 nan 8.150 nan 0.000 0.453 390 F N 1.460 121.345 119.950 -0.108 0.000 2.421 390 F HA 0.522 5.049 4.527 -0.000 0.000 0.337 390 F C 0.704 176.425 175.800 -0.131 0.000 1.105 390 F CA -0.998 56.904 58.000 -0.164 0.000 1.049 390 F CB 1.449 40.307 39.000 -0.237 0.000 1.139 390 F HN 0.409 nan 8.300 nan 0.000 0.479 391 R N 4.690 125.230 120.500 0.067 0.000 2.246 391 R HA 0.513 4.852 4.340 -0.001 0.000 0.332 391 R C -1.151 175.124 176.300 -0.042 0.000 0.974 391 R CA -0.536 55.571 56.100 0.012 0.000 0.837 391 R CB 1.299 31.610 30.300 0.019 0.000 1.145 391 R HN 0.611 nan 8.270 nan 0.000 0.467 392 L N 4.046 125.228 121.223 -0.067 0.000 2.305 392 L HA 0.526 4.866 4.340 -0.001 0.000 0.284 392 L C 0.458 177.404 176.870 0.126 0.000 1.013 392 L CA -0.798 54.032 54.840 -0.017 0.000 0.819 392 L CB 1.683 43.703 42.059 -0.065 0.000 1.227 392 L HN 0.288 nan 8.230 nan 0.000 0.417 393 R N 3.470 124.035 120.500 0.109 0.000 2.438 393 R HA 0.519 4.858 4.340 -0.001 0.000 0.287 393 R C -0.807 175.591 176.300 0.163 0.000 1.077 393 R CA -0.294 55.886 56.100 0.134 0.000 1.034 393 R CB 0.825 31.188 30.300 0.106 0.000 0.993 393 R HN 0.491 nan 8.270 nan 0.000 0.459 394 L N 4.542 125.864 121.223 0.165 0.000 2.317 394 L HA 0.477 4.816 4.340 -0.001 0.000 0.281 394 L C -0.400 176.665 176.870 0.326 0.000 1.024 394 L CA -0.706 54.231 54.840 0.161 0.000 0.810 394 L CB 1.230 43.227 42.059 -0.105 0.000 1.240 394 L HN 0.390 nan 8.230 nan 0.000 0.427 395 L N 3.957 125.359 121.223 0.298 0.000 2.322 395 L HA 0.579 4.918 4.340 -0.001 0.000 0.269 395 L C -2.229 174.832 176.870 0.318 0.000 1.012 395 L CA -2.006 52.992 54.840 0.265 0.000 0.815 395 L CB 2.064 44.217 42.059 0.156 0.000 1.295 395 L HN 0.346 nan 8.230 nan 0.000 0.438 396 P HA 0.117 nan 4.420 nan 0.000 0.276 396 P C -0.417 176.979 177.300 0.158 0.000 1.230 396 P CA -0.068 63.078 63.100 0.077 0.000 0.776 396 P CB 0.988 32.416 31.700 -0.453 0.000 0.888 397 G N 3.272 112.220 108.800 0.247 0.000 2.531 397 G HA2 0.406 4.365 3.960 -0.001 0.000 0.313 397 G HA3 0.406 4.365 3.960 -0.001 0.000 0.313 397 G C -1.642 173.329 174.900 0.119 0.000 1.238 397 G CA -1.482 43.718 45.100 0.167 0.000 0.994 397 G HN 0.251 nan 8.290 nan 0.000 0.493 398 P HA -0.044 nan 4.420 nan 0.000 0.222 398 P C 0.457 177.721 177.300 -0.061 0.000 1.147 398 P CA 1.003 64.043 63.100 -0.099 0.000 0.790 398 P CB 0.405 31.817 31.700 -0.481 0.000 0.780 399 Q N -0.786 119.003 119.800 -0.018 0.000 2.302 399 Q HA 0.258 4.597 4.340 -0.001 0.000 0.332 399 Q C -0.228 175.802 176.000 0.049 0.000 0.913 399 Q CA -0.691 55.113 55.803 0.002 0.000 1.098 399 Q CB -0.926 27.797 28.738 -0.026 0.000 1.236 399 Q HN 0.129 nan 8.270 nan 0.000 0.436 400 F N 1.150 121.074 119.950 -0.043 0.000 2.629 400 F HA 0.257 4.784 4.527 -0.001 0.000 0.369 400 F C 0.062 175.841 175.800 -0.034 0.000 1.125 400 F CA 0.074 58.048 58.000 -0.044 0.000 1.330 400 F CB 0.441 39.379 39.000 -0.104 0.000 1.071 400 F HN 0.186 nan 8.300 nan 0.000 0.595 401 A N 4.233 126.496 122.820 -0.929 0.000 2.540 401 A HA 0.505 4.825 4.320 -0.001 0.000 0.297 401 A C 0.485 177.582 177.584 -0.810 0.000 1.056 401 A CA -0.247 51.424 52.037 -0.611 0.000 0.700 401 A CB 0.724 19.575 19.000 -0.250 0.000 1.280 401 A HN 1.113 nan 8.150 nan 0.000 0.398 402 G N 0.367 108.902 108.800 -0.442 0.000 2.440 402 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 402 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 402 G C 1.121 175.964 174.900 -0.095 0.000 1.154 402 G CA 1.478 46.457 45.100 -0.201 0.000 0.767 402 G HN 0.917 nan 8.290 nan 0.000 0.552 403 E N 0.418 120.565 120.200 -0.089 0.000 2.058 403 E HA -0.091 4.259 4.350 -0.001 0.000 0.194 403 E C 2.820 179.392 176.600 -0.046 0.000 0.997 403 E CA 1.113 57.487 56.400 -0.044 0.000 0.801 403 E CB -0.279 29.396 29.700 -0.041 0.000 0.746 403 E HN 0.334 nan 8.360 nan 0.000 0.450 404 A N 0.374 123.138 122.820 -0.093 0.000 1.883 404 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 404 A C 2.026 179.572 177.584 -0.063 0.000 1.186 404 A CA 1.409 53.395 52.037 -0.085 0.000 0.624 404 A CB -0.925 18.004 19.000 -0.120 0.000 0.822 404 A HN 0.471 nan 8.150 nan 0.000 0.444 405 F N 0.248 120.044 119.950 -0.256 0.000 2.146 405 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 405 F C 2.510 178.281 175.800 -0.048 0.000 1.096 405 F CA 1.677 59.574 58.000 -0.172 0.000 1.275 405 F CB -0.143 38.737 39.000 -0.200 0.000 1.008 405 F HN 0.104 nan 8.300 nan 0.000 0.480 406 R N -0.380 120.184 120.500 0.106 0.000 2.092 406 R HA -0.094 4.245 4.340 -0.001 0.000 0.231 406 R C 2.391 178.713 176.300 0.037 0.000 1.119 406 R CA 1.072 57.218 56.100 0.076 0.000 0.970 406 R CB -0.724 29.627 30.300 0.085 0.000 0.864 406 R HN 0.324 nan 8.270 nan 0.000 0.440 407 A N 1.206 124.041 122.820 0.026 0.000 1.902 407 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 407 A C 2.140 179.809 177.584 0.141 0.000 1.181 407 A CA 1.084 53.156 52.037 0.059 0.000 0.623 407 A CB -0.481 18.546 19.000 0.045 0.000 0.818 407 A HN 0.175 nan 8.150 nan 0.000 0.443 408 L N -0.887 120.363 121.223 0.045 0.000 2.131 408 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 408 L C 1.973 179.004 176.870 0.268 0.000 1.092 408 L CA 1.033 55.904 54.840 0.051 0.000 0.759 408 L CB -0.421 41.343 42.059 -0.493 0.000 0.903 408 L HN 0.475 nan 8.230 nan 0.000 0.435 409 C N -1.070 118.289 119.300 0.099 0.000 2.697 409 C HA 0.062 4.521 4.460 -0.001 0.000 0.267 409 C C 2.623 177.709 174.990 0.161 0.000 1.278 409 C CA 0.353 59.461 59.018 0.149 0.000 1.708 409 C CB -1.206 26.561 27.740 0.045 0.000 1.860 409 C HN 0.595 nan 8.230 nan 0.000 0.589 410 S N 0.005 115.793 115.700 0.145 0.000 2.558 410 S HA 0.434 4.904 4.470 -0.001 0.000 0.217 410 S C 0.726 175.359 174.600 0.056 0.000 0.975 410 S CA 0.554 58.804 58.200 0.083 0.000 0.912 410 S CB 0.234 63.463 63.200 0.048 0.000 0.776 410 S HN 0.711 nan 8.310 nan 0.000 0.526 411 G N 1.128 109.967 108.800 0.065 0.000 2.328 411 G HA2 0.457 4.416 3.960 -0.001 0.000 0.295 411 G HA3 0.457 4.416 3.960 -0.001 0.000 0.295 411 G C -3.586 171.210 174.900 -0.174 0.000 1.413 411 G CA -0.988 44.098 45.100 -0.024 0.000 0.817 411 G HN 0.035 nan 8.290 nan 0.000 0.546 412 P HA 0.483 nan 4.420 nan 0.000 0.271 412 P C -1.087 175.928 177.300 -0.474 0.000 1.216 412 P CA 0.048 62.788 63.100 -0.600 0.000 0.771 412 P CB 0.682 32.118 31.700 -0.440 0.000 0.864 413 F N 2.193 121.956 119.950 -0.311 0.000 2.483 413 F HA 0.514 5.040 4.527 -0.000 0.000 0.329 413 F C 1.259 176.947 175.800 -0.187 0.000 1.064 413 F CA -0.587 57.309 58.000 -0.173 0.000 0.986 413 F CB 1.453 40.399 39.000 -0.091 0.000 1.218 413 F HN 0.018 nan 8.300 nan 0.000 0.484 414 R N 0.901 121.438 120.500 0.061 0.000 2.670 414 R HA 0.503 4.842 4.340 -0.001 0.000 0.289 414 R C -1.412 174.898 176.300 0.017 0.000 0.965 414 R CA -0.999 55.093 56.100 -0.014 0.000 0.899 414 R CB 2.026 32.300 30.300 -0.042 0.000 1.173 414 R HN 0.378 nan 8.270 nan 0.000 0.456 415 V N 2.857 122.755 119.914 -0.027 0.000 2.479 415 V HA 0.038 4.157 4.120 -0.001 0.000 0.281 415 V C 1.329 177.427 176.094 0.006 0.000 1.031 415 V CA 0.534 62.831 62.300 -0.006 0.000 1.038 415 V CB 0.920 32.726 31.823 -0.028 0.000 0.981 415 V HN 0.959 nan 8.190 nan 0.000 0.478 416 A N 5.456 128.290 122.820 0.024 0.000 1.956 416 A HA 0.254 4.574 4.320 -0.001 0.000 0.212 416 A C 1.158 178.757 177.584 0.024 0.000 1.188 416 A CA 0.522 52.571 52.037 0.021 0.000 0.675 416 A CB 0.269 19.284 19.000 0.026 0.000 0.845 416 A HN 0.616 nan 8.150 nan 0.000 0.455 417 R N -0.752 119.767 120.500 0.033 0.000 2.566 417 R HA 0.596 4.936 4.340 -0.001 0.000 0.271 417 R C -2.274 174.060 176.300 0.056 0.000 1.071 417 R CA 0.157 56.282 56.100 0.040 0.000 0.915 417 R CB 1.698 32.018 30.300 0.033 0.000 1.228 417 R HN 0.321 nan 8.270 nan 0.000 0.449 418 A N 3.447 126.315 122.820 0.081 0.000 2.385 418 A HA 0.566 4.886 4.320 -0.001 0.000 0.290 418 A C -1.364 176.294 177.584 0.124 0.000 1.094 418 A CA -0.588 51.509 52.037 0.100 0.000 0.729 418 A CB 1.097 20.168 19.000 0.118 0.000 1.194 418 A HN 0.838 nan 8.150 nan 0.000 0.442 419 D N 0.820 121.279 120.400 0.097 0.000 2.867 419 D HA 0.335 4.974 4.640 -0.001 0.000 0.308 419 D C 0.661 177.008 176.300 0.080 0.000 1.202 419 D CA -0.691 53.371 54.000 0.103 0.000 1.035 419 D CB 0.348 41.195 40.800 0.079 0.000 1.427 419 D HN 0.197 nan 8.370 nan 0.000 0.570 420 R N -0.579 119.963 120.500 0.069 0.000 2.189 420 R HA 0.071 4.411 4.340 -0.001 0.000 0.223 420 R C 1.792 178.112 176.300 0.033 0.000 1.092 420 R CA 0.741 56.872 56.100 0.053 0.000 0.989 420 R CB -0.303 30.024 30.300 0.046 0.000 0.876 420 R HN 0.245 nan 8.270 nan 0.000 0.457 421 V N -0.331 119.600 119.914 0.028 0.000 2.323 421 V HA 0.045 4.165 4.120 -0.001 0.000 0.244 421 V C 1.230 177.334 176.094 0.016 0.000 1.041 421 V CA 1.616 63.924 62.300 0.012 0.000 1.025 421 V CB -0.053 31.775 31.823 0.008 0.000 0.656 421 V HN 0.557 nan 8.190 nan 0.000 0.451 422 G N -1.563 107.255 108.800 0.030 0.000 2.430 422 G HA2 0.491 4.451 3.960 -0.001 0.000 0.300 422 G HA3 0.491 4.451 3.960 -0.001 0.000 0.300 422 G C -2.089 172.836 174.900 0.042 0.000 1.330 422 G CA -0.303 44.816 45.100 0.032 0.000 0.813 422 G HN -0.053 nan 8.290 nan 0.000 0.487 423 V N 0.808 120.747 119.914 0.041 0.000 2.376 423 V HA 0.473 4.593 4.120 -0.001 0.000 0.287 423 V C -0.082 176.035 176.094 0.038 0.000 1.015 423 V CA -0.602 61.725 62.300 0.046 0.000 0.834 423 V CB 1.317 33.172 31.823 0.053 0.000 1.001 423 V HN 0.781 nan 8.190 nan 0.000 0.428 424 E N 4.173 124.395 120.200 0.038 0.000 2.227 424 E HA 0.489 4.839 4.350 -0.001 0.000 0.282 424 E C -1.498 175.129 176.600 0.045 0.000 1.015 424 E CA -0.705 55.716 56.400 0.034 0.000 0.823 424 E CB 1.169 30.888 29.700 0.032 0.000 1.081 424 E HN 0.366 nan 8.360 nan 0.000 0.396 425 L N 5.032 126.289 121.223 0.057 0.000 2.329 425 L HA 0.432 4.771 4.340 -0.001 0.000 0.279 425 L C -0.586 176.403 176.870 0.198 0.000 1.014 425 L CA -0.593 54.316 54.840 0.116 0.000 0.814 425 L CB 1.438 43.534 42.059 0.062 0.000 1.257 425 L HN 0.570 nan 8.230 nan 0.000 0.424 426 L N 2.783 124.128 121.223 0.204 0.000 2.307 426 L HA 0.931 5.271 4.340 -0.001 0.000 0.284 426 L C 0.597 177.547 176.870 0.132 0.000 1.023 426 L CA -0.104 54.823 54.840 0.145 0.000 0.810 426 L CB 1.484 43.571 42.059 0.047 0.000 1.231 426 L HN 0.783 nan 8.230 nan 0.000 0.423 427 G N 2.796 111.592 108.800 -0.006 0.000 2.452 427 G HA2 0.254 4.213 3.960 -0.001 0.000 0.224 427 G HA3 0.254 4.213 3.960 -0.001 0.000 0.224 427 G C -3.095 171.570 174.900 -0.391 0.000 1.208 427 G CA -0.657 44.167 45.100 -0.459 0.000 0.946 427 G HN 0.343 nan 8.290 nan 0.000 0.481 428 P HA 0.254 nan 4.420 nan 0.000 0.267 428 P C -0.282 177.003 177.300 -0.025 0.000 1.200 428 P CA 0.043 62.986 63.100 -0.262 0.000 0.772 428 P CB 0.587 32.129 31.700 -0.264 0.000 0.855 429 E N 1.175 121.373 120.200 -0.004 0.000 2.376 429 E HA 0.183 4.533 4.350 -0.001 0.000 0.266 429 E C -1.010 175.624 176.600 0.057 0.000 1.009 429 E CA -0.266 56.154 56.400 0.033 0.000 0.902 429 E CB 0.436 30.138 29.700 0.004 0.000 0.972 429 E HN 0.100 nan 8.360 nan 0.000 0.439 430 V N 7.501 127.453 119.914 0.063 0.000 2.409 430 V HA 0.300 4.420 4.120 -0.001 0.000 0.291 430 V C -2.079 174.010 176.094 -0.008 0.000 1.020 430 V CA -1.780 60.539 62.300 0.031 0.000 0.848 430 V CB 1.481 33.317 31.823 0.022 0.000 0.990 430 V HN 0.735 nan 8.190 nan 0.000 0.430 431 P HA 0.283 nan 4.420 nan 0.000 0.268 431 P C 0.036 177.313 177.300 -0.039 0.000 1.205 431 P CA 0.425 63.508 63.100 -0.029 0.000 0.771 431 P CB 1.113 32.794 31.700 -0.033 0.000 0.858 432 G N 0.354 109.133 108.800 -0.035 0.000 3.140 432 G HA2 0.795 4.755 3.960 -0.001 0.000 0.271 432 G HA3 0.795 4.755 3.960 -0.001 0.000 0.271 432 G C -0.889 174.006 174.900 -0.009 0.000 1.370 432 G CA -0.684 44.396 45.100 -0.033 0.000 1.014 432 G HN 0.739 nan 8.290 nan 0.000 0.541 433 G N -1.576 107.240 108.800 0.025 0.000 2.559 433 G HA2 0.571 4.531 3.960 -0.001 0.000 0.291 433 G HA3 0.571 4.531 3.960 -0.001 0.000 0.291 433 G C -1.936 173.049 174.900 0.142 0.000 1.424 433 G CA -0.366 44.766 45.100 0.054 0.000 0.786 433 G HN 0.665 nan 8.290 nan 0.000 0.485 434 E N -1.107 119.159 120.200 0.111 0.000 2.331 434 E HA 0.671 5.020 4.350 -0.001 0.000 0.275 434 E C -0.194 176.410 176.600 0.007 0.000 0.895 434 E CA -0.523 55.946 56.400 0.114 0.000 0.753 434 E CB 2.212 32.010 29.700 0.164 0.000 1.216 434 E HN 1.067 nan 8.360 nan 0.000 0.434 435 G N 2.054 110.829 108.800 -0.042 0.000 2.731 435 G HA2 0.366 4.326 3.960 -0.001 0.000 0.309 435 G HA3 0.366 4.326 3.960 -0.001 0.000 0.309 435 G C -1.080 173.738 174.900 -0.137 0.000 1.273 435 G CA -0.936 44.111 45.100 -0.087 0.000 0.798 435 G HN 0.482 nan 8.290 nan 0.000 0.509 436 L N 1.175 122.276 121.223 -0.202 0.000 2.483 436 L HA 0.207 4.547 4.340 -0.001 0.000 0.276 436 L C 1.055 177.849 176.870 -0.127 0.000 1.213 436 L CA -0.121 54.527 54.840 -0.320 0.000 0.843 436 L CB 0.840 42.506 42.059 -0.654 0.000 1.107 436 L HN 0.384 nan 8.230 nan 0.000 0.487 437 S N 1.938 117.653 115.700 0.025 0.000 2.552 437 S HA 0.080 4.550 4.470 -0.001 0.000 0.289 437 S C -0.083 174.722 174.600 0.342 0.000 1.304 437 S CA -0.275 58.080 58.200 0.257 0.000 1.063 437 S CB 0.159 63.667 63.200 0.512 0.000 0.848 437 S HN 0.629 nan 8.310 nan 0.000 0.499 438 E N 2.769 123.113 120.200 0.239 0.000 2.416 438 E HA 0.547 4.897 4.350 -0.001 0.000 0.273 438 E C -3.271 173.447 176.600 0.197 0.000 0.935 438 E CA -2.814 53.740 56.400 0.258 0.000 0.784 438 E CB 1.078 30.905 29.700 0.211 0.000 1.301 438 E HN 0.160 nan 8.360 nan 0.000 0.454 439 P HA 0.023 nan 4.420 nan 0.000 0.265 439 P C -0.477 176.778 177.300 -0.075 0.000 1.193 439 P CA 0.152 63.293 63.100 0.068 0.000 0.765 439 P CB 0.430 32.188 31.700 0.098 0.000 0.823 440 T N 1.705 116.191 114.554 -0.115 0.000 2.856 440 T HA 0.493 4.843 4.350 -0.001 0.000 0.292 440 T C -2.387 172.157 174.700 -0.260 0.000 0.980 440 T CA -2.063 59.957 62.100 -0.133 0.000 1.091 440 T CB 0.490 69.309 68.868 -0.081 0.000 0.936 440 T HN 0.191 nan 8.240 nan 0.000 0.503 441 P HA 0.355 nan 4.420 nan 0.000 0.292 441 P C -0.532 176.771 177.300 0.006 0.000 1.283 441 P CA -1.021 61.987 63.100 -0.153 0.000 0.835 441 P CB 0.970 32.638 31.700 -0.054 0.000 1.017 442 L N 3.084 124.346 121.223 0.066 0.000 2.513 442 L HA 0.307 4.647 4.340 -0.001 0.000 0.272 442 L C 1.470 178.371 176.870 0.053 0.000 1.187 442 L CA 1.931 56.802 54.840 0.051 0.000 0.895 442 L CB -0.997 41.097 42.059 0.058 0.000 1.147 442 L HN 0.871 nan 8.230 nan 0.000 0.483 443 G N 2.578 111.402 108.800 0.040 0.000 2.176 443 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.253 443 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.253 443 G C 0.635 175.559 174.900 0.041 0.000 0.979 443 G CA 0.031 45.157 45.100 0.044 0.000 0.641 443 G HN 1.210 nan 8.290 nan 0.000 0.530 444 G N -0.521 108.299 108.800 0.034 0.000 2.353 444 G HA2 0.496 4.456 3.960 -0.001 0.000 0.239 444 G HA3 0.496 4.456 3.960 -0.001 0.000 0.239 444 G C 0.202 175.103 174.900 0.002 0.000 1.295 444 G CA 0.431 45.547 45.100 0.027 0.000 0.884 444 G HN 1.033 nan 8.290 nan 0.000 0.537 445 V N 3.432 123.331 119.914 -0.024 0.000 2.334 445 V HA 0.201 4.321 4.120 -0.001 0.000 0.267 445 V C 0.442 176.503 176.094 -0.056 0.000 1.040 445 V CA -0.352 61.900 62.300 -0.080 0.000 0.866 445 V CB 0.815 32.514 31.823 -0.208 0.000 1.019 445 V HN 0.834 nan 8.190 nan 0.000 0.468 446 Q N 4.167 123.950 119.800 -0.028 0.000 2.274 446 Q HA 0.583 4.923 4.340 -0.001 0.000 0.256 446 Q C -1.391 174.593 176.000 -0.025 0.000 0.927 446 Q CA -0.379 55.431 55.803 0.010 0.000 0.939 446 Q CB 1.731 30.506 28.738 0.061 0.000 1.201 446 Q HN 0.590 nan 8.270 nan 0.000 0.426 447 V N 7.461 127.359 119.914 -0.026 0.000 2.419 447 V HA 0.414 4.534 4.120 -0.001 0.000 0.287 447 V C -2.230 173.797 176.094 -0.112 0.000 1.017 447 V CA -1.579 60.674 62.300 -0.079 0.000 0.844 447 V CB 1.294 33.073 31.823 -0.072 0.000 1.011 447 V HN 0.816 nan 8.190 nan 0.000 0.429 448 P HA 0.312 nan 4.420 nan 0.000 0.276 448 P C -2.334 174.840 177.300 -0.210 0.000 1.252 448 P CA -1.695 61.097 63.100 -0.513 0.000 0.802 448 P CB 0.961 32.008 31.700 -1.090 0.000 1.035 449 P HA -0.115 nan 4.420 nan 0.000 0.215 449 P C 0.403 177.670 177.300 -0.055 0.000 1.163 449 P CA 1.838 64.914 63.100 -0.039 0.000 0.894 449 P CB -0.150 31.554 31.700 0.007 0.000 0.791 450 S N -0.654 115.004 115.700 -0.069 0.000 2.080 450 S HA 0.615 5.085 4.470 -0.001 0.000 0.162 450 S C 0.228 174.792 174.600 -0.060 0.000 1.618 450 S CA -0.208 57.965 58.200 -0.045 0.000 1.200 450 S CB 0.619 63.808 63.200 -0.019 0.000 1.135 450 S HN 0.314 nan 8.310 nan 0.000 0.455 451 G N 1.595 110.349 108.800 -0.076 0.000 2.428 451 G HA2 0.501 4.461 3.960 -0.001 0.000 0.305 451 G HA3 0.501 4.461 3.960 -0.001 0.000 0.305 451 G C -1.690 173.175 174.900 -0.058 0.000 1.260 451 G CA -0.933 44.122 45.100 -0.075 0.000 0.853 451 G HN 0.384 nan 8.290 nan 0.000 0.480 452 R N -0.009 120.461 120.500 -0.049 0.000 2.758 452 R HA 0.585 4.925 4.340 -0.001 0.000 0.265 452 R C -2.634 173.646 176.300 -0.032 0.000 1.016 452 R CA -1.577 54.521 56.100 -0.004 0.000 1.040 452 R CB 1.431 31.747 30.300 0.027 0.000 1.152 452 R HN 0.250 nan 8.270 nan 0.000 0.503 453 P HA 0.032 nan 4.420 nan 0.000 0.271 453 P C -1.284 175.989 177.300 -0.044 0.000 1.216 453 P CA -0.156 62.895 63.100 -0.081 0.000 0.771 453 P CB 0.538 32.126 31.700 -0.186 0.000 0.864 454 L N 4.919 126.119 121.223 -0.038 0.000 2.372 454 L HA 0.356 4.696 4.340 -0.001 0.000 0.274 454 L C -1.052 175.815 176.870 -0.005 0.000 0.988 454 L CA -0.674 54.162 54.840 -0.006 0.000 0.833 454 L CB 1.738 43.804 42.059 0.012 0.000 1.236 454 L HN 0.026 nan 8.230 nan 0.000 0.410 455 V N 6.196 126.117 119.914 0.012 0.000 2.488 455 V HA 0.267 4.386 4.120 -0.001 0.000 0.277 455 V C 0.349 176.456 176.094 0.021 0.000 1.046 455 V CA -0.392 61.921 62.300 0.021 0.000 0.986 455 V CB 0.967 32.820 31.823 0.051 0.000 0.989 455 V HN 0.577 nan 8.190 nan 0.000 0.475 456 L N 6.605 127.837 121.223 0.016 0.000 2.265 456 L HA 0.477 4.817 4.340 -0.001 0.000 0.288 456 L C 0.024 176.902 176.870 0.014 0.000 1.058 456 L CA 0.036 54.882 54.840 0.010 0.000 0.809 456 L CB 0.632 42.691 42.059 0.000 0.000 1.179 456 L HN 0.503 nan 8.230 nan 0.000 0.429 457 L N 1.819 123.050 121.223 0.013 0.000 2.693 457 L HA 0.543 4.883 4.340 -0.001 0.000 0.253 457 L C 1.618 178.493 176.870 0.007 0.000 1.155 457 L CA -0.550 54.300 54.840 0.018 0.000 1.026 457 L CB 0.623 42.700 42.059 0.029 0.000 1.817 457 L HN 0.645 nan 8.230 nan 0.000 0.556 458 A N -0.664 122.163 122.820 0.011 0.000 1.972 458 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 458 A C 1.111 178.682 177.584 -0.023 0.000 1.169 458 A CA 1.692 53.726 52.037 -0.005 0.000 0.635 458 A CB -0.505 18.496 19.000 0.002 0.000 0.810 458 A HN 0.742 nan 8.150 nan 0.000 0.446 459 D N -0.069 120.322 120.400 -0.014 0.000 2.395 459 D HA 0.101 4.741 4.640 -0.001 0.000 0.226 459 D C 0.322 176.597 176.300 -0.041 0.000 1.146 459 D CA -0.019 53.966 54.000 -0.025 0.000 0.830 459 D CB -0.019 40.776 40.800 -0.009 0.000 0.958 459 D HN 0.698 nan 8.370 nan 0.000 0.501 460 K N -0.119 120.254 120.400 -0.044 0.000 2.380 460 K HA 0.297 4.617 4.320 -0.001 0.000 0.267 460 K C 0.802 177.332 176.600 -0.116 0.000 0.990 460 K CA -0.418 55.828 56.287 -0.068 0.000 0.946 460 K CB 0.601 33.068 32.500 -0.054 0.000 0.937 460 K HN -0.094 nan 8.250 nan 0.000 0.491 461 G N 1.110 109.801 108.800 -0.183 0.000 2.554 461 G HA2 0.002 3.962 3.960 -0.001 0.000 0.238 461 G HA3 0.002 3.962 3.960 -0.001 0.000 0.238 461 G C 0.359 175.118 174.900 -0.236 0.000 1.259 461 G CA -0.737 44.190 45.100 -0.287 0.000 0.843 461 G HN 0.662 nan 8.290 nan 0.000 0.582 462 S N 0.218 115.784 115.700 -0.223 0.000 2.453 462 S HA 0.082 4.552 4.470 -0.001 0.000 0.231 462 S C 0.794 175.327 174.600 -0.112 0.000 1.005 462 S CA 0.487 58.605 58.200 -0.137 0.000 0.949 462 S CB -0.217 62.913 63.200 -0.118 0.000 0.774 462 S HN 0.367 nan 8.310 nan 0.000 0.510 463 L N 0.032 121.147 121.223 -0.179 0.000 2.388 463 L HA 0.772 5.111 4.340 -0.001 0.000 0.264 463 L C -0.096 176.719 176.870 -0.090 0.000 0.998 463 L CA -0.715 54.099 54.840 -0.042 0.000 0.817 463 L CB 2.276 44.408 42.059 0.122 0.000 1.338 463 L HN 0.112 nan 8.230 nan 0.000 0.414 464 G N -0.337 108.502 108.800 0.065 0.000 2.742 464 G HA2 0.467 4.426 3.960 -0.001 0.000 0.296 464 G HA3 0.467 4.426 3.960 -0.001 0.000 0.296 464 G C 0.001 174.939 174.900 0.063 0.000 1.436 464 G CA -0.004 45.144 45.100 0.078 0.000 0.928 464 G HN 0.719 nan 8.290 nan 0.000 0.520 465 G N -0.619 108.146 108.800 -0.059 0.000 2.986 465 G HA2 0.287 4.247 3.960 -0.001 0.000 0.213 465 G HA3 0.287 4.247 3.960 -0.001 0.000 0.213 465 G C -0.006 174.806 174.900 -0.146 0.000 1.156 465 G CA 0.111 45.128 45.100 -0.137 0.000 0.763 465 G HN 0.414 nan 8.290 nan 0.000 0.547 466 Y N 0.898 121.232 120.300 0.056 0.000 2.304 466 Y HA 0.568 5.118 4.550 -0.000 0.000 0.327 466 Y C 0.871 176.770 175.900 -0.001 0.000 1.209 466 Y CA -1.549 56.565 58.100 0.024 0.000 1.299 466 Y CB 0.910 39.388 38.460 0.029 0.000 1.249 466 Y HN 0.112 nan 8.280 nan 0.000 0.519 467 A N 3.143 126.064 122.820 0.168 0.000 2.445 467 A HA 0.382 4.701 4.320 -0.001 0.000 0.242 467 A C -0.276 177.332 177.584 0.040 0.000 1.075 467 A CA -0.566 51.507 52.037 0.060 0.000 0.777 467 A CB -0.049 18.969 19.000 0.030 0.000 1.013 467 A HN 0.784 nan 8.150 nan 0.000 0.493 468 K N 3.102 123.507 120.400 0.009 0.000 2.540 468 K HA 0.286 4.605 4.320 -0.001 0.000 0.218 468 K C -2.335 174.277 176.600 0.020 0.000 1.017 468 K CA -1.473 54.818 56.287 0.008 0.000 1.029 468 K CB 1.898 34.405 32.500 0.011 0.000 1.348 468 K HN 0.460 nan 8.250 nan 0.000 0.508 469 P HA -0.094 nan 4.420 nan 0.000 0.229 469 P C -0.260 177.144 177.300 0.175 0.000 1.160 469 P CA 0.652 63.773 63.100 0.036 0.000 0.777 469 P CB 0.462 32.135 31.700 -0.045 0.000 0.814 470 A N -0.636 122.261 122.820 0.129 0.000 2.594 470 A HA 0.716 5.035 4.320 -0.001 0.000 0.291 470 A C -1.419 176.225 177.584 0.100 0.000 1.105 470 A CA -0.685 51.477 52.037 0.208 0.000 0.694 470 A CB 0.922 19.991 19.000 0.114 0.000 1.291 470 A HN -0.028 nan 8.150 nan 0.000 0.410 471 L N 0.907 122.213 121.223 0.138 0.000 2.362 471 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 471 L C -0.547 176.377 176.870 0.091 0.000 1.002 471 L CA -1.205 53.694 54.840 0.098 0.000 0.818 471 L CB 1.907 44.041 42.059 0.126 0.000 1.298 471 L HN 0.450 nan 8.230 nan 0.000 0.420 472 V N 1.218 121.176 119.914 0.073 0.000 2.614 472 V HA 0.004 4.124 4.120 -0.001 0.000 0.291 472 V C 0.396 176.544 176.094 0.090 0.000 1.049 472 V CA -0.281 62.078 62.300 0.097 0.000 1.038 472 V CB 1.184 33.066 31.823 0.099 0.000 0.980 472 V HN 0.721 nan 8.190 nan 0.000 0.481 473 D N 7.462 127.921 120.400 0.097 0.000 2.487 473 D HA 0.004 4.643 4.640 -0.001 0.000 0.243 473 D C -1.265 175.078 176.300 0.072 0.000 1.154 473 D CA -1.130 52.922 54.000 0.086 0.000 0.876 473 D CB 1.747 42.600 40.800 0.089 0.000 1.161 473 D HN 0.279 nan 8.370 nan 0.000 0.478 474 P HA -0.165 nan 4.420 nan 0.000 0.218 474 P C 1.021 178.374 177.300 0.088 0.000 1.146 474 P CA 1.114 64.250 63.100 0.061 0.000 0.813 474 P CB 0.168 31.889 31.700 0.036 0.000 0.778 475 R N -0.469 120.089 120.500 0.096 0.000 2.237 475 R HA -0.048 4.292 4.340 -0.001 0.000 0.219 475 R C 1.078 177.516 176.300 0.231 0.000 1.080 475 R CA 0.952 57.139 56.100 0.145 0.000 0.995 475 R CB -0.352 30.016 30.300 0.113 0.000 0.875 475 R HN 0.226 nan 8.270 nan 0.000 0.462 476 D N -0.043 120.422 120.400 0.108 0.000 2.369 476 D HA 0.052 4.692 4.640 -0.001 0.000 0.211 476 D C 1.536 177.724 176.300 -0.186 0.000 1.077 476 D CA 0.151 54.117 54.000 -0.055 0.000 0.842 476 D CB 0.359 41.110 40.800 -0.082 0.000 0.947 476 D HN 0.161 nan 8.370 nan 0.000 0.509 477 L N 0.969 122.187 121.223 -0.009 0.000 2.083 477 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 477 L C 2.620 179.458 176.870 -0.055 0.000 1.083 477 L CA 0.867 55.694 54.840 -0.022 0.000 0.752 477 L CB -0.431 41.659 42.059 0.053 0.000 0.899 477 L HN 0.321 nan 8.230 nan 0.000 0.433 478 W N 0.474 121.724 121.300 -0.084 0.000 2.350 478 W HA -0.197 4.463 4.660 -0.001 0.000 0.289 478 W C 1.721 178.137 176.519 -0.172 0.000 1.215 478 W CA 0.589 57.882 57.345 -0.087 0.000 1.236 478 W CB -1.247 28.173 29.460 -0.066 0.000 1.130 478 W HN 0.143 nan 8.180 nan 0.000 0.541 479 L N 1.089 121.505 121.223 -1.345 0.000 2.042 479 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 479 L C 2.890 179.242 176.870 -0.863 0.000 1.076 479 L CA 1.486 55.360 54.840 -1.610 0.000 0.749 479 L CB -0.982 39.913 42.059 -1.940 0.000 0.893 479 L HN -0.057 nan 8.230 nan 0.000 0.432 480 L N -0.547 120.398 121.223 -0.465 0.000 2.275 480 L HA -0.079 4.261 4.340 -0.001 0.000 0.215 480 L C 2.482 179.336 176.870 -0.026 0.000 1.119 480 L CA 0.833 55.598 54.840 -0.125 0.000 0.790 480 L CB -0.927 41.093 42.059 -0.064 0.000 0.919 480 L HN 0.328 nan 8.230 nan 0.000 0.443 481 G N -1.038 107.743 108.800 -0.031 0.000 2.559 481 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.216 481 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.216 481 G C 1.327 176.274 174.900 0.079 0.000 1.126 481 G CA 0.220 45.360 45.100 0.067 0.000 0.778 481 G HN 0.301 nan 8.290 nan 0.000 0.543 482 Q N -0.272 119.545 119.800 0.029 0.000 2.159 482 Q HA 0.395 4.734 4.340 -0.001 0.000 0.217 482 Q C 0.774 176.849 176.000 0.125 0.000 0.818 482 Q CA -0.184 55.655 55.803 0.059 0.000 1.008 482 Q CB 1.042 29.788 28.738 0.012 0.000 1.148 482 Q HN 0.366 nan 8.270 nan 0.000 0.491 483 A N 2.244 125.164 122.820 0.167 0.000 2.386 483 A HA 0.507 4.826 4.320 -0.001 0.000 0.248 483 A C 0.469 178.099 177.584 0.077 0.000 1.082 483 A CA -0.065 52.083 52.037 0.184 0.000 0.789 483 A CB 0.360 19.474 19.000 0.191 0.000 1.025 483 A HN 0.367 nan 8.150 nan 0.000 0.490 484 R N 0.282 120.797 120.500 0.026 0.000 2.781 484 R HA 0.619 4.959 4.340 -0.001 0.000 0.269 484 R C -3.370 172.949 176.300 0.032 0.000 1.025 484 R CA -1.990 54.161 56.100 0.085 0.000 0.914 484 R CB 0.596 30.956 30.300 0.099 0.000 1.236 484 R HN 0.327 nan 8.270 nan 0.000 0.465 485 P HA 0.102 nan 4.420 nan 0.000 0.267 485 P C 0.409 177.699 177.300 -0.017 0.000 1.205 485 P CA 1.415 64.525 63.100 0.017 0.000 0.765 485 P CB 0.877 32.592 31.700 0.026 0.000 0.828 486 G N 1.259 110.033 108.800 -0.043 0.000 2.213 486 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.226 486 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.226 486 G C 0.081 174.912 174.900 -0.116 0.000 0.992 486 G CA -0.255 44.806 45.100 -0.065 0.000 0.632 486 G HN 0.524 nan 8.290 nan 0.000 0.511 487 V N 1.874 121.686 119.914 -0.170 0.000 2.585 487 V HA 0.332 4.452 4.120 -0.001 0.000 0.296 487 V C 0.942 176.865 176.094 -0.286 0.000 1.035 487 V CA 0.234 62.349 62.300 -0.308 0.000 1.084 487 V CB 1.550 33.057 31.823 -0.527 0.000 0.953 487 V HN 0.460 nan 8.190 nan 0.000 0.483 488 E N 4.632 124.664 120.200 -0.280 0.000 2.338 488 E HA 0.424 4.774 4.350 -0.001 0.000 0.272 488 E C -0.955 175.504 176.600 -0.235 0.000 1.029 488 E CA -0.304 55.970 56.400 -0.211 0.000 0.872 488 E CB 0.718 30.340 29.700 -0.130 0.000 1.015 488 E HN 0.566 nan 8.360 nan 0.000 0.417 489 I N 4.303 124.742 120.570 -0.219 0.000 2.499 489 I HA 0.250 4.420 4.170 -0.001 0.000 0.288 489 I C -0.630 175.277 176.117 -0.351 0.000 1.048 489 I CA -0.730 60.424 61.300 -0.243 0.000 1.062 489 I CB 1.634 39.454 38.000 -0.300 0.000 1.238 489 I HN 0.509 nan 8.210 nan 0.000 0.426 490 H N 5.705 124.645 119.070 -0.216 0.000 2.495 490 H HA 0.442 4.998 4.556 -0.001 0.000 0.348 490 H C -1.198 173.959 175.328 -0.286 0.000 1.113 490 H CA -0.441 55.520 56.048 -0.145 0.000 1.195 490 H CB 2.175 31.910 29.762 -0.044 0.000 1.521 490 H HN 0.272 nan 8.280 nan 0.000 0.509 491 F N 1.303 121.334 119.950 0.136 0.000 2.399 491 F HA 0.270 4.797 4.527 -0.001 0.000 0.334 491 F C 0.948 176.762 175.800 0.024 0.000 1.097 491 F CA -0.506 57.505 58.000 0.017 0.000 1.076 491 F CB 1.764 40.702 39.000 -0.103 0.000 1.162 491 F HN 0.351 nan 8.300 nan 0.000 0.495 492 T N -1.264 113.409 114.554 0.198 0.000 2.861 492 T HA 0.620 4.970 4.350 -0.001 0.000 0.287 492 T C -0.178 174.590 174.700 0.113 0.000 1.003 492 T CA -0.906 61.270 62.100 0.126 0.000 0.977 492 T CB 1.340 70.269 68.868 0.103 0.000 0.996 492 T HN 0.633 nan 8.240 nan 0.000 0.448 493 S N 0.000 115.778 115.700 0.130 0.000 2.498 493 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 493 S CA 0.000 58.359 58.200 0.265 0.000 1.107 493 S CB 0.000 63.435 63.200 0.392 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517